A0A087XFJ5_POEFO Loading...

Retinoblastoma-associated protein

AlphaFold DB , UniProt , Accession A0A087XFJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 913 aa.

						>A0A087XFJ5_POEFO|A0A087XFJ5
MPPKKRHSGMTQNKEPKPSADSASSPDKQDSPELSEKKHREKHAEFVSLCKSLHVSDLVCDRAWTLWESVLESMDKVPGSQQRLWGACLFVIVTDMDVGSFTVTQVLKAISLNLKQFLALVRQLDVNLDTISMKVNSALTRLEKKYDVMLALYQRFEKTCKNIFVLTSDGKERETMRTCWTMFLLAKGRALQMEDDLVISFQLLLCTLELFIKRCSSDQLQPLYQSAISKVLSPPTRTSRRSQSKAKSRPSEPEVDVQLLETLCKDNECNFEEVKNVYQTSFLAFLDSMDLSRSTDFPQVNDVNQQYEEHYLKSRDIDGRLFFDGDESVLPPKIEISQVERTPKKNQPEEDGPTIPPQTPIRAAMTSIRMLRGDLPSNGDQPSTTLATYFKNCTVDPTQDVQKRLETLGQAFSQKFGEAVGPHCVVYGRQRFALGVRLYYKVMEAMLKSEEKRLSVQNFSKLLNDSTFHTSLLACSLEVVMATYEESSFKNGGSDQTGTNLCFPWILNVLNLSAFDFYKVIESFIKAEPTLSKDIIKHLETCENLIMERIAWRTGSPLFELLNQEHASAAAEPVESPASFSQPLQHSHTAADLYLTPTRPGSRVLPPDSPTTPPRQPAASQSTSQAPCQAPRQPKSNSLSLFYKKLYRLAYTRLKTLCSYLLSSHPELEPIIWTLFQYTLQHEYELMRDRHLDQLMMSAMYAICKVKSVDLRFKSIVSAYKNMTNTNQETFKNVLIAEGHYDSIIVFYNQVFMQKLKTNILQHASIRPPPLSPIPQIPRSPYKLPNSPLRVPGSNNVYISPLRNSRMSPGIMTPRSRMLVSIGESFGLGNRFQKINQMVNSSERSHKRAMDQSAAIKPLKKLRFDVDGQDEADGSKPGGDSTLIQKLTEMSSTWSRMHEQKMKEEPETRDEPQ
					

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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	23.6	Very low	32.8	Very low	240 Å²	240	155.4 Å²	155.4	100%	1.182	83%	0.832	S	S	*	*				0	148.1	0	-86.5	-175.5	75.5	0	0	108.8
2	P	56.6	Low	32.4	Very low	97 Å²	97	156.7 Å²	156.7	63%	0.63	83%	0.829	S	S	*	*				-118	-162.1	-126.3	47	-35.8	0	0	0	111.9
3	P	47.6	Very low	31.7	Very low	126 Å²	126	155.6 Å²	155.6	82%	0.818	82%	0.824	S	S	*	*				-131.6	153.1	56.2	24.2	-1.2	0	0	0	113.2
4	K	34.7	Very low	31.2	Very low	179 Å²	179	157.2 Å²	157.2	78%	0.778	82%	0.82	S	S	*	*			cis	81.3	125.5	30	-111.7	-174.4	-171	-179.1	0	117.4
5	K	34.9	Very low	30.9	Very low	170 Å²	170	158.7 Å²	158.7	74%	0.739	82%	0.822	S	S	*	*			trans	96.9	140.5	155.7	-67	179.6	178	177.7	0	116.4
6	R	28.3	Very low	30.7	Very low	201 Å²	201	156.4 Å²	156.4	76%	0.758	82%	0.82	S	S	*	*			cis	-165.5	137.6	16.1	-117.4	162.4	172	177.2	-5.9	107.8
7	H	27.2	Very low	30.3	Very low	178 Å²	178	158.9 Å²	158.9	82%	0.824	82%	0.822	S	S	*	*				40.1	142.1	104.7	-72	-53.2	0	0	0	115.9
8	S	28.1	Very low	30.6	Very low	116 Å²	116	156.4 Å²	156.4	81%	0.811	82%	0.818	S	S	*	*			cis	170	156.3	8.8	43.6	0	0	0	0	106.4
9	G	26.1	Very low	30.2	Very low	85 Å²	85	154.5 Å²	154.5	88%	0.876	82%	0.819	S	S	*	*			trans	145.4	115	150.4	0	0	0	0	0	116.4
10	M	27.2	Very low	30	Very low	178 Å²	178	151.2 Å²	151.2	88%	0.877	82%	0.815	S	S	*	*			trans	-117.8	141.6	-176.5	-166.4	153.1	72.2	0	0	108.3
11	T	26.1	Very low	29.8	Very low	139 Å²	139	151.6 Å²	151.6	85%	0.853	82%	0.817	S	S	*	*			trans	173.8	100.8	157.1	19.2	0	0	0	0	108.9
12	Q	28	Very low	29.9	Very low	171 Å²	171	146 Å²	146	80%	0.799	80%	0.801	S	S	*	*				49.3	109.9	90.7	-74.2	-165.8	-5.9	0	0	116.8
13	N	24.2	Very low	28.5	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	81%	0.81	S	S	*	*				174.4	128.9	110.6	-104.2	-27	0	0	0	115.6
14	K	24.5	Very low	27.4	Very low	178 Å²	178	145.7 Å²	145.7	77%	0.774	81%	0.81	S	S	*	*			trans	39.3	118	140	-73.8	-179.6	171.2	-179.1	0	123.8
15	E	26.3	Very low	27.1	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	81%	0.811	S	S	*	*				42.4	151.8	128.4	-78.5	-175.9	145.6	0	0	122.3
16	P	27.7	Very low	27	Very low	122 Å²	122	139.7 Å²	139.7	79%	0.792	81%	0.809	S	S	*	*			cis	-140.4	175.5	27.6	35.1	-11.7	0	0	0	118.1
17	K	23.6	Very low	27.4	Very low	198 Å²	198	138.2 Å²	138.2	86%	0.861	82%	0.817	S	S	*	*			trans	-54.1	178.3	165.9	-89.5	177.3	176.7	175.2	0	114.6
18	P	35.4	Very low	27.6	Very low	114 Å²	114	138 Å²	138	74%	0.74	81%	0.814	S	S	*	*			cis	-137.4	170	-3.2	31.2	-9.5	0	0	0	115.7
19	S	23.7	Very low	27.9	Very low	120 Å²	120	141.8 Å²	141.8	84%	0.839	82%	0.818	S	S	*	*				173.2	127.3	125	40.9	0	0	0	0	114.8
20	A	26.4	Very low	28.4	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	82%	0.818	S	S	*	*			trans	52.4	101.9	144	0	0	0	0	0	122.2
21	D	26.1	Very low	29	Very low	160 Å²	160	140.9 Å²	140.9	86%	0.856	80%	0.803	S	S	*	*				47.8	110.4	127.4	-60.7	-23.7	0	0	0	121.2
22	S	24.4	Very low	30.3	Very low	122 Å²	122	139.8 Å²	139.8	85%	0.853	80%	0.798	S	S	*	*				-174.4	137	113	35.7	0	0	0	0	113.6
23	A	27.8	Very low	32	Very low	100 Å²	100	139 Å²	139	83%	0.826	80%	0.795	S	S	*	*			trans	70.9	91	163.4	0	0	0	0	0	118.8
24	S	25.6	Very low	34.6	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	77%	0.765	S	S	*	*			trans	-71.1	116.1	169.1	53.7	0	0	0	0	113.2
25	S	27.9	Very low	37.2	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	74%	0.744	S	S	*	*			trans	-76.6	131.8	148.6	-52.5	0	0	0	0	108.9
26	P	33.2	Very low	39.4	Very low	110 Å²	110	123.5 Å²	123.5	71%	0.714	73%	0.726	S	S	*	*			trans	-102.7	81.2	165.1	34.9	-22.9	0	0	0	108.6	K28	P26-K28 PolarHBondContact O-N 2.99Å; P26-K28 VanDerWaalsContact O-N 3.13Å
27	D	35.5	Very low	41.4	Very low	170 Å²	170	125.2 Å²	125.2	91%	0.909	72%	0.722	S	S	*	*			trans	-77.8	80.6	150.4	-142.5	-0	0	0	0	105.4
28	K	31.9	Very low	44	Very low	175 Å²	175	121 Å²	121	76%	0.761	70%	0.703	S	S	*	*			trans	-96.3	118	172.7	-88.7	-173.6	176.6	179.9	0	107.1	P26 D30	P26-K28 PolarHBondContact O-N 2.99Å; P26-K28 VanDerWaalsContact O-N 3.13Å; K28-D30 PolarHBondContact O-N 3.31Å
29	Q	35.4	Very low	46.3	Very low	195 Å²	195	115.6 Å²	115.6	91%	0.911	67%	0.668	S	S	*	*			trans	-35.5	112	160.5	-79.4	170.6	-50	0	0	110.4	S31	Q29-S31 PolarHBondContact O-N 3.41Å; Q29-S31 VanDerWaalsContact O-N 3.1Å
30	D	35.9	Very low	48.9	Very low	161 Å²	161	118.5 Å²	118.5	86%	0.861	66%	0.661	S	S	*	*			trans	-60.4	110.7	167.1	-82.5	-36.7	0	0	0	108	K28	K28-D30 PolarHBondContact O-N 3.31Å
31	S	39.1	Very low	51.4	Low	82 Å²	82	120.9 Å²	120.9	57%	0.573	66%	0.657	S	S	*	*			trans	-64.5	134.5	164.4	48.7	0	0	0	0	108.6	Q29 E33	Q29-S31 PolarHBondContact O-N 3.41Å; Q29-S31 VanDerWaalsContact O-N 3.1Å; S31-E33 PolarHBondContact O-N 3.3Å
32	P	54.7	Low	54.4	Low	116 Å²	116	114.2 Å²	114.2	75%	0.753	62%	0.62	S	S	*	*	S	Bend	trans	-68.9	-2.3	178.7	27.4	-33.6	0	0	0	113.9
33	E	62.2	Low	57.4	Low	156 Å²	156	112 Å²	112	73%	0.729	60%	0.596	S	S	*	*	S	Bend	trans	-95.9	136.3	-176.5	-67.8	-175	160.8	0	0	112.6	S31 S35	S31-E33 PolarHBondContact O-N 3.3Å; E33-S35 PolarHBondContact O-N 2.96Å
34	L	78.9	Confident	60.2	Low	26 Å²	26	111 Å²	111	14%	0.136	59%	0.588	C	S	.	*			trans	-60.3	125.3	178.4	-170.3	78.7	0	0	0	111.8	E36 V47 C50 K51 D57 C60	L34-E36 PolarHBondContact O-N 3.41Å; L34-V47 HydrophobicContact CD2-CG1 4.08Å; L34-C50 HydrophobicContact CD1-CB 4.5Å; L34-C50 HydrophobicContact CD2-CB 3.68Å; L34-K51 HydrophobicContact CD2-CB 4.13Å; L34-D57 WeakPolarHBondContact CA-OD1 3.15Å; L34-D57 WeakPolarHBondContact CD1-OD1 3.02Å; L34-C60 HydrophobicContact CD1-CB 3.61Å
35	S	80.4	Confident	63.2	Low	48 Å²	48	111 Å²	111	34%	0.336	58%	0.575	S	S	.	*			trans	-92	102.4	178	-179.2	0	0	0	0	111.5	E33 K37 K38 H39 D57	E33-S35 PolarHBondContact O-N 2.96Å; S35-K37 PolarHBondContact O-N 3.22Å; S35-K38 WeakPolarHBondContact O-CB 3.09Å; S35-K38 PolarHBondContact O-N 3.12Å; S35-H39 PolarHBondContact O-CD2 3.19Å; S35-H39 VanDerWaalsContact O-CD2 3.25Å; S35-D57 PolarHBondContact N-OD1 2.99Å
36	E	71.1	Confident	66.2	Low	100 Å²	100	105.7 Å²	105.7	47%	0.467	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.1	175.3	-70	177.6	-175.6	0	0	113.1	L34 K38 R40 V47 K51	L34-E36 PolarHBondContact O-N 3.41Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 2.94Å; E36-R40 WeakPolarHBondContact O-CG 3.5Å; E36-V47 HydrophobicContact CG-CG1 4.29Å; E36-K51 VanDerWaalsContact OE1-CD 3.3Å; E36-K51 WeakPolarHBondContact OE1-CD 3.49Å; E36-K51 WeakPolarHBondContact OE1-CE 3.45Å; E36-K51 IonicContact OE1-NZ 2.76Å; E36-K51 PolarHBondContact OE1-NZ 3.05Å
37	K	70.2	Confident	69	Low	159 Å²	159	101 Å²	101	69%	0.691	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.7	178.2	-61.9	-168.9	178.6	173.5	0	112.8	S35	S35-K37 PolarHBondContact O-N 3.22Å
38	K	78.1	Confident	71.6	Confident	108 Å²	108	96.6 Å²	96.6	47%	0.47	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.7	-177.2	-167.8	-176.4	177.5	-170	0	112.7	S35 E36 D57	S35-K38 WeakPolarHBondContact O-CB 3.09Å; S35-K38 PolarHBondContact O-N 3.12Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 2.94Å; K38-D57 HydrophobicContact CD-CB 4.45Å; K38-D57 WeakPolarHBondContact CD-OD2 3.5Å; K38-D57 IonicContact NZ-OD2 2.76Å
39	H	84.5	Confident	74.5	Confident	2 Å²	2	88.6 Å²	88.6	1%	0.009	46%	0.455	C	S	.	.			trans	-115.8	27.7	-172.2	-57.7	-66.7	0	0	0	113.3	S35 E41 K42 V47 D57 D61	S35-H39 PolarHBondContact O-CD2 3.19Å; S35-H39 VanDerWaalsContact O-CD2 3.25Å; H39-E41 WeakPolarHBondContact CA-OE1 3.16Å; H39-E41 PolarHBondContact O-N 3.23Å; H39-K42 HydrophobicContact CB-CD 4.13Å; H39-K42 HydrophobicContact CB-CG 4.5Å; H39-K42 PolarHBondContact CE1-NZ 3.17Å; H39-K42 PolarHBondContact ND1-NZ 2.83Å; H39-K42 PolarHBondContact O-N 3.4Å; H39-K42 VanDerWaalsContact O-N 3.16Å; H39-V47 HydrophobicContact CB-CG2 3.9Å; H39-D57 IonicContact CD2-OD1 3.35Å; H39-D57 IonicContact CE1-OD1 3.38Å; H39-D57 IonicContact NE2-OD1 2.68Å; H39-D57 PolarHBondContact NE2-OD1 3.11Å; H39-D61 IonicContact CE1-OD1 3.26Å; H39-D61 PolarHBondContact CE1-OD1 3.12Å; H39-D61 IonicContact CE1-OD2 3.12Å; H39-D61 IonicContact ND1-OD1 2.81Å; H39-D61 PolarHBondContact ND1-OD1 3.18Å
40	R	76.8	Confident	77.2	Confident	181 Å²	181	79.3 Å²	79.3	68%	0.683	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.8	-174.2	-68.5	-174.7	-163	-101.8	11.4	113.1	E36 K42	E36-R40 WeakPolarHBondContact O-CG 3.5Å; R40-K42 VanDerWaalsContact C-N 3.29Å
41	E	80.6	Confident	79.8	Confident	139 Å²	139	77 Å²	77	65%	0.65	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.1	177.1	66.3	-69.6	158	0	0	113.5	H39	H39-E41 WeakPolarHBondContact CA-OE1 3.16Å; H39-E41 PolarHBondContact O-N 3.23Å
42	K	88.2	Confident	82.3	Confident	20 Å²	20	76.5 Å²	76.5	9%	0.087	39%	0.39	C	S	.	.	S	Bend	trans	-90.1	165.4	177.5	-57.8	-177.7	-172.8	163.1	0	111.7	H39 R40 A44 F46 V47 D61 W64	H39-K42 HydrophobicContact CB-CD 4.13Å; H39-K42 HydrophobicContact CB-CG 4.5Å; H39-K42 PolarHBondContact CE1-NZ 3.17Å; H39-K42 PolarHBondContact ND1-NZ 2.83Å; H39-K42 PolarHBondContact O-N 3.4Å; H39-K42 VanDerWaalsContact O-N 3.16Å; R40-K42 VanDerWaalsContact C-N 3.29Å; K42-A44 PolarHBondContact O-N 3.16Å; K42-F46 HydrophobicContact CB-CD1 4.41Å; K42-F46 HydrophobicContact CD-CD1 4.29Å; K42-F46 HydrophobicContact CD-CE1 4.1Å; K42-V47 HydrophobicContact CB-CG2 4.02Å; K42-D61 IonicContact NZ-OD1 2.72Å; K42-D61 PolarHBondContact NZ-OD1 2.89Å; K42-W64 HydrophobicContact CB-CD2 4.13Å; K42-W64 HydrophobicContact CB-CE3 4.25Å; K42-W64 HydrophobicContact CB-CH2 4.31Å; K42-W64 HydrophobicContact CB-CZ2 4.2Å; K42-W64 HydrophobicContact CB-CZ3 4.33Å; K42-W64 HydrophobicContact CD-CB 4.01Å; K42-W64 HydrophobicContact CD-CD2 3.86Å; K42-W64 HydrophobicContact CD-CE3 4.32Å; K42-W64 HydrophobicContact CD-CG 3.71Å; K42-W64 HydrophobicContact CG-CD2 3.88Å; K42-W64 HydrophobicContact CG-CE3 4.44Å; K42-W64 HydrophobicContact CG-CG 4.06Å; K42-W64 HydrophobicContact CG-CZ2 4.42Å
43	H	86.8	Confident	84.1	Confident	76 Å²	76	71.1 Å²	71.1	35%	0.352	36%	0.355	S	S	.	.			trans	-61.8	129.5	178.8	-161.9	-85.4	0	0	0	111.4	E45 F46 V47 W64 W85	H43-E45 VanDerWaalsContact C-N 3.3Å; H43-E45 IonicContact CE1-OE2 2.69Å; H43-E45 PolarHBondContact ND1-N 3.49Å; H43-E45 PolarHBondContact O-N 3.41Å; H43-F46 HydrophobicContact CB-CB 4.16Å; H43-F46 WeakPolarHBondContact O-CA 3.47Å; H43-F46 WeakPolarHBondContact O-CB 3.4Å; H43-F46 PolarHBondContact O-N 3.14Å; H43-V47 PolarHBondContact O-N 3.38Å; H43-V47 VanDerWaalsContact O-N 3.11Å; H43-W64 HydrophobicContact CB-CH2 3.66Å; H43-W64 HydrophobicContact CB-CZ3 3.96Å; H43-W85 HydrophobicContact CB-CH2 4.13Å; H43-W85 HydrophobicContact CB-CZ2 4.04Å; H43-W85 AromaticContact CE1-CH2 3.84Å; H43-W85 AromaticContact CG-CH2 3.72Å; H43-W85 AromaticContact CG-CZ2 3.99Å; H43-W85 AromaticContact ND1-CH2 3.34Å; H43-W85 VanDerWaalsContact ND1-CH2 3.34Å; H43-W85 WeakPolarHBondContact ND1-CH2 3.28Å
44	A	87.8	Confident	85.4	Confident	78 Å²	78	70.8 Å²	70.8	65%	0.645	35%	0.353	S	S	*	.	H	α-helix	trans	-59.1	-39.8	-174.5	0	0	0	0	0	112.9	K42 F46 V47 S48	K42-A44 PolarHBondContact O-N 3.16Å; A44-F46 VanDerWaalsContact C-N 3.3Å; A44-F46 PolarHBondContact O-N 2.64Å; A44-V47 PolarHBondContact O-N 3.1Å; A44-S48 WeakPolarHBondContact O-CB 3.38Å; A44-S48 PolarHBondContact O-N 3.15Å
45	E	87.5	Confident	86	Confident	118 Å²	118	69.6 Å²	69.6	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-65.9	-31.2	176.3	-61	-179.6	176.7	0	0	112.8	H43 L49 W85	H43-E45 VanDerWaalsContact C-N 3.3Å; H43-E45 IonicContact CE1-OE2 2.69Å; H43-E45 PolarHBondContact ND1-N 3.49Å; H43-E45 PolarHBondContact O-N 3.41Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 PolarHBondContact O-N 2.83Å; E45-W85 HydrophobicContact CB-CH2 4.27Å; E45-W85 HydrophobicContact CB-CZ3 3.8Å
46	F	91.4	Very high	86.5	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69.1	-45.2	174.8	170.9	-104.2	0	0	0	111.3	K42 H43 A44 S48 L49 C50 C60 A63 W64 W85 L89	K42-F46 HydrophobicContact CB-CD1 4.41Å; K42-F46 HydrophobicContact CD-CD1 4.29Å; K42-F46 HydrophobicContact CD-CE1 4.1Å; H43-F46 HydrophobicContact CB-CB 4.16Å; H43-F46 WeakPolarHBondContact O-CA 3.47Å; H43-F46 WeakPolarHBondContact O-CB 3.4Å; H43-F46 PolarHBondContact O-N 3.14Å; A44-F46 VanDerWaalsContact C-N 3.3Å; A44-F46 PolarHBondContact O-N 2.64Å; F46-S48 VanDerWaalsContact C-N 3.3Å; F46-S48 PolarHBondContact O-N 3.13Å; F46-L49 WeakPolarHBondContact O-CB 3.34Å; F46-L49 PolarHBondContact O-N 2.94Å; F46-C50 VanDerWaalsContact CZ-SG 3.53Å; F46-C50 PolarHBondContact O-N 3.16Å; F46-C50 PolarHBondContact O-SG 3.18Å; F46-C60 VanDerWaalsContact CE1-SG 3.53Å; F46-A63 HydrophobicContact CZ-CB 4.28Å; F46-W64 HydrophobicContact CB-CE3 4.23Å; F46-W64 HydrophobicContact CB-CZ3 3.75Å; F46-W64 HydrophobicContact CD1-CD2 4.24Å; F46-W64 AromaticContact CD1-CE3 3.24Å; F46-W64 HydrophobicContact CD1-CE3 3.24Å; F46-W64 AromaticContact CD1-CZ3 3.65Å; F46-W64 HydrophobicContact CD1-CZ3 3.65Å; F46-W64 HydrophobicContact CD2-CE3 4.12Å; F46-W64 HydrophobicContact CD2-CZ3 4.32Å; F46-W64 HydrophobicContact CE1-CB 3.95Å; F46-W64 HydrophobicContact CE1-CD2 4.18Å; F46-W64 AromaticContact CE1-CE3 3.46Å; F46-W64 HydrophobicContact CE1-CE3 3.46Å; F46-W64 VanDerWaalsContact CE1-CE3 3.46Å; F46-W64 HydrophobicContact CE1-CG 4.42Å; F46-W64 HydrophobicContact CE1-CZ3 4.32Å; F46-W64 HydrophobicContact CE2-CE3 4.3Å; F46-W64 AromaticContact CG-CE3 3.59Å; F46-W64 HydrophobicContact CG-CE3 3.59Å; F46-W64 AromaticContact CG-CZ3 3.63Å; F46-W64 HydrophobicContact CG-CZ3 3.63Å; F46-W64 HydrophobicContact CZ-CB 4.14Å; F46-W64 AromaticContact CZ-CE3 3.99Å; F46-W64 HydrophobicContact CZ-CE3 3.99Å; F46-W85 HydrophobicContact CB-CD2 3.86Å; F46-W85 HydrophobicContact CB-CE3 3.84Å; F46-W85 HydrophobicContact CB-CG 4.46Å; F46-W85 HydrophobicContact CB-CH2 4.33Å; F46-W85 HydrophobicContact CB-CZ2 4.26Å; F46-W85 HydrophobicContact CB-CZ3 4.1Å; F46-W85 HydrophobicContact CD2-CB 3.7Å; F46-W85 AromaticContact CD2-CD1 3.81Å; F46-W85 AromaticContact CD2-CD2 3.78Å; F46-W85 HydrophobicContact CD2-CD2 3.78Å; F46-W85 HydrophobicContact CD2-CE3 4.28Å; F46-W85 AromaticContact CD2-CG 3.48Å; F46-W85 HydrophobicContact CD2-CG 3.48Å; F46-W85 VanDerWaalsContact CD2-CG 3.48Å; F46-W85 HydrophobicContact CE2-CB 4.07Å; F46-W85 HydrophobicContact CE2-CG 4.16Å; F46-W85 HydrophobicContact CG-CD2 4.27Å; F46-W85 HydrophobicContact CG-CG 4.38Å; F46-L89 HydrophobicContact CE2-CD1 4.49Å; F46-L89 HydrophobicContact CE2-CG 4.47Å
47	V	91.3	Very high	87.4	Confident	12 Å²	12	65.5 Å²	65.5	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-39.3	177	-179.5	0	0	0	0	110.4	L34 E36 H39 K42 H43 A44 L49 C50 K51	L34-V47 HydrophobicContact CD2-CG1 4.08Å; E36-V47 HydrophobicContact CG-CG1 4.29Å; H39-V47 HydrophobicContact CB-CG2 3.9Å; K42-V47 HydrophobicContact CB-CG2 4.02Å; H43-V47 PolarHBondContact O-N 3.38Å; H43-V47 VanDerWaalsContact O-N 3.11Å; A44-V47 PolarHBondContact O-N 3.1Å; V47-L49 PolarHBondContact O-N 3.27Å; V47-C50 PolarHBondContact O-N 2.88Å; V47-K51 PolarHBondContact O-N 3.13Å
48	S	90.8	Very high	88.4	Confident	77 Å²	77	62.2 Å²	62.2	54%	0.538	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-42	173.4	-172.7	0	0	0	0	112.4	A44 F46 K51 S52	A44-S48 WeakPolarHBondContact O-CB 3.38Å; A44-S48 PolarHBondContact O-N 3.15Å; F46-S48 VanDerWaalsContact C-N 3.3Å; F46-S48 PolarHBondContact O-N 3.13Å; S48-K51 PolarHBondContact O-N 2.99Å; S48-S52 PolarHBondContact O-N 2.6Å
49	L	92.2	Very high	89.1	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-43.3	175.2	177.2	64	0	0	0	111.8	E45 F46 V47 K51 S52 L53 Q82 W85 L89 A109	E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 PolarHBondContact O-N 2.83Å; F46-L49 WeakPolarHBondContact O-CB 3.34Å; F46-L49 PolarHBondContact O-N 2.94Å; V47-L49 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.13Å; L49-S52 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-OG 3.02Å; L49-L53 HydrophobicContact CD1-CD1 3.84Å; L49-L53 HydrophobicContact CD1-CG 4.29Å; L49-L53 HydrophobicContact CG-CD1 4.14Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.44Å; L49-L53 VanDerWaalsContact O-N 3.11Å; L49-Q82 HydrophobicContact CD2-CG 4.39Å; L49-W85 HydrophobicContact CD2-CB 3.9Å; L49-L89 HydrophobicContact CD2-CD1 4.14Å; L49-L89 HydrophobicContact CG-CD1 4.22Å; L49-A109 HydrophobicContact CD1-CB 3.6Å
50	C	92.6	Very high	89.5	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-40.3	176	-67	0	0	0	0	111.5	L34 F46 V47 L53 H54 V55 C60	L34-C50 HydrophobicContact CD1-CB 4.5Å; L34-C50 HydrophobicContact CD2-CB 3.68Å; F46-C50 VanDerWaalsContact CZ-SG 3.53Å; F46-C50 PolarHBondContact O-N 3.16Å; F46-C50 PolarHBondContact O-SG 3.18Å; V47-C50 PolarHBondContact O-N 2.88Å; C50-L53 CarbonylContact O-C 2.91Å; C50-L53 PolarHBondContact O-N 2.75Å; C50-H54 PolarHBondContact O-N 3.22Å; C50-V55 HydrophobicContact CB-CB 4.18Å; C50-V55 WeakPolarHBondContact O-CB 3.49Å; C50-V55 PolarHBondContact O-N 3.25Å; C50-C60 VanDerWaalsContact SG-SG 3.65Å
51	K	90.2	Very high	90.2	Very high	112 Å²	112	50.9 Å²	50.9	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-44.5	177.4	-170.4	179	-175.1	179.4	0	112.2	L34 E36 V47 S48 L49 L53 H54	L34-K51 HydrophobicContact CD2-CB 4.13Å; E36-K51 VanDerWaalsContact OE1-CD 3.3Å; E36-K51 WeakPolarHBondContact OE1-CD 3.49Å; E36-K51 WeakPolarHBondContact OE1-CE 3.45Å; E36-K51 IonicContact OE1-NZ 2.76Å; E36-K51 PolarHBondContact OE1-NZ 3.05Å; V47-K51 PolarHBondContact O-N 3.13Å; S48-K51 PolarHBondContact O-N 2.99Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 3.13Å; K51-L53 PolarHBondContact O-N 3.16Å; K51-H54 PolarHBondContact O-N 3.33Å; K51-H54 VanDerWaalsContact O-N 3.13Å
52	S	91.9	Very high	90.7	Very high	71 Å²	71	50.3 Å²	50.3	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-25.2	178.8	71.4	0	0	0	0	112.9	S48 L49	S48-S52 PolarHBondContact O-N 2.6Å; L49-S52 PolarHBondContact O-N 3.1Å; L49-S52 PolarHBondContact O-OG 3.02Å
53	L	92.2	Very high	90.8	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	10.1	177.1	-67.1	176.9	0	0	0	113.3	L49 C50 K51 V55 L89 F101 Q105 V106 A109	L49-L53 HydrophobicContact CD1-CD1 3.84Å; L49-L53 HydrophobicContact CD1-CG 4.29Å; L49-L53 HydrophobicContact CG-CD1 4.14Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 3.44Å; L49-L53 VanDerWaalsContact O-N 3.11Å; C50-L53 CarbonylContact O-C 2.91Å; C50-L53 PolarHBondContact O-N 2.75Å; K51-L53 PolarHBondContact O-N 3.16Å; L53-V55 VanDerWaalsContact C-N 3.25Å; L53-V55 HydrophobicContact CB-CG2 3.83Å; L53-V55 PolarHBondContact O-N 2.92Å; L53-L89 HydrophobicContact CD1-CD1 4.12Å; L53-F101 HydrophobicContact CB-CB 4.4Å; L53-F101 HydrophobicContact CB-CD1 3.79Å; L53-F101 HydrophobicContact CB-CG 4.43Å; L53-F101 HydrophobicContact CD1-CD1 4.22Å; L53-F101 HydrophobicContact CD1-CE1 4.37Å; L53-F101 HydrophobicContact CD2-CB 4.11Å; L53-F101 HydrophobicContact CD2-CD1 4.47Å; L53-F101 HydrophobicContact CD2-CG 4.38Å; L53-F101 HydrophobicContact CG-CD1 4.39Å; L53-Q105 HydrophobicContact CD2-CB 4.01Å; L53-V106 HydrophobicContact CD1-CG2 4.31Å; L53-V106 HydrophobicContact CD2-CG2 4.39Å; L53-A109 HydrophobicContact CD2-CB 4.16Å; L53-A109 HydrophobicContact CG-CB 4.48Å
54	H	90.4	Very high	91.1	Very high	149 Å²	149	47.1 Å²	47.1	69%	0.69	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	42	178.5	-58.7	-71.8	0	0	0	114	C50 K51	C50-H54 PolarHBondContact O-N 3.22Å; K51-H54 PolarHBondContact O-N 3.33Å; K51-H54 VanDerWaalsContact O-N 3.13Å
55	V	91.1	Very high	91.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	25%	0.246	C	C	.	.			trans	-83	141.1	-177.9	179.2	0	0	0	0	110.5	C50 L53 V59 L89 F101	C50-V55 HydrophobicContact CB-CB 4.18Å; C50-V55 WeakPolarHBondContact O-CB 3.49Å; C50-V55 PolarHBondContact O-N 3.25Å; L53-V55 VanDerWaalsContact C-N 3.25Å; L53-V55 HydrophobicContact CB-CG2 3.83Å; L53-V55 PolarHBondContact O-N 2.92Å; V55-V59 HydrophobicContact CG1-CB 3.43Å; V55-V59 VanDerWaalsContact CG1-CB 3.43Å; V55-V59 HydrophobicContact CG1-CG1 3.29Å; V55-L89 HydrophobicContact CG1-CD2 4.02Å; V55-L89 HydrophobicContact CG2-CD2 4.17Å; V55-F101 HydrophobicContact CG2-CD1 4Å; V55-F101 HydrophobicContact CG2-CE1 3.98Å
56	S	91.8	Very high	91.2	Very high	35 Å²	35	43.2 Å²	43.2	25%	0.245	23%	0.226	C	C	.	.			trans	-74.9	160.8	176.5	69.3	0	0	0	0	112.6	L58 V59 C60	S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.12Å; S56-V59 PolarHBondContact O-N 2.99Å; S56-V59 WeakPolarHBondContact OG-CG2 3.35Å; S56-C60 WeakPolarHBondContact O-CB 3.4Å; S56-C60 PolarHBondContact O-N 3.25Å
57	D	89.9	Confident	91.1	Very high	26 Å²	26	44.3 Å²	44.3	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-52.8	-44.2	176.7	-80.2	-16.9	0	0	0	112.4	L34 S35 K38 H39 V59 C60 D61	L34-D57 WeakPolarHBondContact CA-OD1 3.15Å; L34-D57 WeakPolarHBondContact CD1-OD1 3.02Å; S35-D57 PolarHBondContact N-OD1 2.99Å; K38-D57 HydrophobicContact CD-CB 4.45Å; K38-D57 WeakPolarHBondContact CD-OD2 3.5Å; K38-D57 IonicContact NZ-OD2 2.76Å; H39-D57 IonicContact CD2-OD1 3.35Å; H39-D57 IonicContact CE1-OD1 3.38Å; H39-D57 IonicContact NE2-OD1 2.68Å; H39-D57 PolarHBondContact NE2-OD1 3.11Å; D57-V59 PolarHBondContact O-N 2.9Å; D57-C60 WeakPolarHBondContact O-CB 3.41Å; D57-C60 PolarHBondContact O-N 3.39Å; D57-D61 VanDerWaalsContact O-CG 3.3Å; D57-D61 PolarHBondContact O-N 2.86Å
58	L	90.8	Very high	90.9	Very high	91 Å²	91	47.6 Å²	47.6	48%	0.476	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-41	-178.7	179.8	62.8	0	0	0	112.8	S56 R62 M96	S56-L58 VanDerWaalsContact C-N 3.27Å; S56-L58 PolarHBondContact O-N 3.12Å; L58-R62 WeakPolarHBondContact O-CG 3.44Å; L58-R62 PolarHBondContact O-N 3.01Å; L58-R62 VanDerWaalsContact O-N 3.13Å; L58-M96 HydrophobicContact CD2-CE 3.55Å; L58-M96 HydrophobicContact CG-CE 3.86Å
59	V	91.8	Very high	90.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-39	177.7	173.8	0	0	0	0	110	V55 S56 D57 R62 A63 L89 I92 V93 M96 V98	V55-V59 HydrophobicContact CG1-CB 3.43Å; V55-V59 VanDerWaalsContact CG1-CB 3.43Å; V55-V59 HydrophobicContact CG1-CG1 3.29Å; S56-V59 PolarHBondContact O-N 2.99Å; S56-V59 WeakPolarHBondContact OG-CG2 3.35Å; D57-V59 PolarHBondContact O-N 2.9Å; V59-R62 PolarHBondContact O-N 3.36Å; V59-A63 VanDerWaalsContact O-CB 3.22Å; V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 3.23Å; V59-L89 HydrophobicContact CG1-CD2 4.25Å; V59-I92 HydrophobicContact CG1-CG2 3.95Å; V59-V93 HydrophobicContact CG1-CG2 3.6Å; V59-M96 HydrophobicContact CG2-CE 4.21Å; V59-M96 HydrophobicContact CG2-SD 4.06Å; V59-V98 HydrophobicContact CG2-CB 4.38Å; V59-V98 HydrophobicContact CG2-CG1 4.28Å; V59-V98 HydrophobicContact CG2-CG2 4.41Å
60	C	92.9	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-44.8	174.8	-176.9	0	0	0	0	111.9	L34 F46 C50 S56 D57 W64	L34-C60 HydrophobicContact CD1-CB 3.61Å; F46-C60 VanDerWaalsContact CE1-SG 3.53Å; C50-C60 VanDerWaalsContact SG-SG 3.65Å; S56-C60 WeakPolarHBondContact O-CB 3.4Å; S56-C60 PolarHBondContact O-N 3.25Å; D57-C60 WeakPolarHBondContact O-CB 3.41Å; D57-C60 PolarHBondContact O-N 3.39Å; C60-W64 WeakPolarHBondContact O-CB 3.43Å; C60-W64 PolarHBondContact O-N 3.23Å; C60-W64 VanDerWaalsContact O-N 3.09Å
61	D	91.9	Very high	89.5	Confident	52 Å²	52	49.6 Å²	49.6	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-59	-53.4	175.2	-71.5	-30.5	0	0	0	111.7	H39 K42 D57 A63 W64 T65	H39-D61 IonicContact CE1-OD1 3.26Å; H39-D61 PolarHBondContact CE1-OD1 3.12Å; H39-D61 IonicContact CE1-OD2 3.12Å; H39-D61 IonicContact ND1-OD1 2.81Å; H39-D61 PolarHBondContact ND1-OD1 3.18Å; K42-D61 IonicContact NZ-OD1 2.72Å; K42-D61 PolarHBondContact NZ-OD1 2.89Å; D57-D61 VanDerWaalsContact O-CG 3.3Å; D57-D61 PolarHBondContact O-N 2.86Å; D61-A63 PolarHBondContact O-N 3.05Å; D61-W64 WeakPolarHBondContact O-CB 3.34Å; D61-W64 PolarHBondContact O-N 3.46Å; D61-T65 PolarHBondContact O-N 3.1Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.97Å
62	R	90.8	Very high	88.9	Confident	128 Å²	128	52.6 Å²	52.6	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-38.7	-177.7	-72.7	-179.8	177	-161.9	0.6	113.2	L58 V59 W64 T65 L66 I92 M96	L58-R62 WeakPolarHBondContact O-CG 3.44Å; L58-R62 PolarHBondContact O-N 3.01Å; L58-R62 VanDerWaalsContact O-N 3.13Å; V59-R62 PolarHBondContact O-N 3.36Å; R62-W64 VanDerWaalsContact C-N 3.3Å; R62-T65 PolarHBondContact O-N 3.35Å; R62-L66 WeakPolarHBondContact O-CB 3.4Å; R62-L66 PolarHBondContact O-N 3.08Å; R62-I92 HydrophobicContact CB-CD1 4.15Å; R62-I92 HydrophobicContact CB-CG1 4.28Å; R62-I92 HydrophobicContact CB-CG2 3.8Å; R62-M96 VanDerWaalsContact CD-SD 3.5Å
63	A	91.3	Very high	87.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.5	-33.8	177.7	0	0	0	0	0	111.9	F46 V59 D61 W67 L89 I92	F46-A63 HydrophobicContact CZ-CB 4.28Å; V59-A63 VanDerWaalsContact O-CB 3.22Å; V59-A63 WeakPolarHBondContact O-CB 3.49Å; V59-A63 PolarHBondContact O-N 3.23Å; D61-A63 PolarHBondContact O-N 3.05Å; A63-W67 WeakPolarHBondContact O-CB 3.44Å; A63-W67 PolarHBondContact O-N 3.22Å; A63-L89 HydrophobicContact CB-CD2 3.58Å; A63-L89 HydrophobicContact CB-CG 4.03Å; A63-I92 HydrophobicContact CB-CB 4.48Å; A63-I92 HydrophobicContact CB-CG1 4.13Å
64	W	92.1	Very high	86.8	Confident	29 Å²	29	52 Å²	52	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-50	173.7	-172.9	-97.3	0	0	0	111.7	K42 H43 F46 C60 D61 R62 L66 W67 E68	K42-W64 HydrophobicContact CB-CD2 4.13Å; K42-W64 HydrophobicContact CB-CE3 4.25Å; K42-W64 HydrophobicContact CB-CH2 4.31Å; K42-W64 HydrophobicContact CB-CZ2 4.2Å; K42-W64 HydrophobicContact CB-CZ3 4.33Å; K42-W64 HydrophobicContact CD-CB 4.01Å; K42-W64 HydrophobicContact CD-CD2 3.86Å; K42-W64 HydrophobicContact CD-CE3 4.32Å; K42-W64 HydrophobicContact CD-CG 3.71Å; K42-W64 HydrophobicContact CG-CD2 3.88Å; K42-W64 HydrophobicContact CG-CE3 4.44Å; K42-W64 HydrophobicContact CG-CG 4.06Å; K42-W64 HydrophobicContact CG-CZ2 4.42Å; H43-W64 HydrophobicContact CB-CH2 3.66Å; H43-W64 HydrophobicContact CB-CZ3 3.96Å; F46-W64 HydrophobicContact CB-CE3 4.23Å; F46-W64 HydrophobicContact CB-CZ3 3.75Å; F46-W64 HydrophobicContact CD1-CD2 4.24Å; F46-W64 AromaticContact CD1-CE3 3.24Å; F46-W64 HydrophobicContact CD1-CE3 3.24Å; F46-W64 AromaticContact CD1-CZ3 3.65Å; F46-W64 HydrophobicContact CD1-CZ3 3.65Å; F46-W64 HydrophobicContact CD2-CE3 4.12Å; F46-W64 HydrophobicContact CD2-CZ3 4.32Å; F46-W64 HydrophobicContact CE1-CB 3.95Å; F46-W64 HydrophobicContact CE1-CD2 4.18Å; F46-W64 AromaticContact CE1-CE3 3.46Å; F46-W64 HydrophobicContact CE1-CE3 3.46Å; F46-W64 VanDerWaalsContact CE1-CE3 3.46Å; F46-W64 HydrophobicContact CE1-CG 4.42Å; F46-W64 HydrophobicContact CE1-CZ3 4.32Å; F46-W64 HydrophobicContact CE2-CE3 4.3Å; F46-W64 AromaticContact CG-CE3 3.59Å; F46-W64 HydrophobicContact CG-CE3 3.59Å; F46-W64 AromaticContact CG-CZ3 3.63Å; F46-W64 HydrophobicContact CG-CZ3 3.63Å; F46-W64 HydrophobicContact CZ-CB 4.14Å; F46-W64 AromaticContact CZ-CE3 3.99Å; F46-W64 HydrophobicContact CZ-CE3 3.99Å; C60-W64 WeakPolarHBondContact O-CB 3.43Å; C60-W64 PolarHBondContact O-N 3.23Å; C60-W64 VanDerWaalsContact O-N 3.09Å; D61-W64 WeakPolarHBondContact O-CB 3.34Å; D61-W64 PolarHBondContact O-N 3.46Å; R62-W64 VanDerWaalsContact C-N 3.3Å; W64-L66 VanDerWaalsContact C-N 3.27Å; W64-L66 PolarHBondContact O-N 3.42Å; W64-W67 HydrophobicContact CD2-CE3 4.18Å; W64-W67 HydrophobicContact CD2-CZ3 4.46Å; W64-W67 HydrophobicContact CE3-CE3 4.05Å; W64-W67 HydrophobicContact CE3-CZ3 4.37Å; W64-W67 AromaticContact CH2-CE3 3.94Å; W64-W67 HydrophobicContact CH2-CE3 3.94Å; W64-W67 HydrophobicContact CH2-CH2 4.03Å; W64-W67 AromaticContact CH2-CZ3 3.43Å; W64-W67 HydrophobicContact CH2-CZ3 3.43Å; W64-W67 VanDerWaalsContact CH2-CZ3 3.43Å; W64-W67 HydrophobicContact CZ2-CE3 4.07Å; W64-W67 HydrophobicContact CZ2-CH2 4.4Å; W64-W67 AromaticContact CZ2-CZ3 3.52Å; W64-W67 HydrophobicContact CZ2-CZ3 3.52Å; W64-W67 AromaticContact CZ3-CE3 3.94Å; W64-W67 HydrophobicContact CZ3-CE3 3.94Å; W64-W67 AromaticContact CZ3-CZ3 3.9Å; W64-W67 HydrophobicContact CZ3-CZ3 3.9Å; W64-W67 WeakPolarHBondContact O-CB 3.43Å; W64-W67 PolarHBondContact O-N 3.13Å; W64-W67 VanDerWaalsContact O-N 3.11Å; W64-E68 VanDerWaalsContact NE1-CD 3.32Å; W64-E68 PolarHBondContact NE1-OE1 2.97Å; W64-E68 PolarHBondContact O-N 3.4Å
65	T	90.1	Very high	85.4	Confident	87 Å²	87	53.1 Å²	53.1	53%	0.534	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-38.7	176.3	-53.7	0	0	0	0	112.2	D61 R62 W67 E68 S69	D61-T65 PolarHBondContact O-N 3.1Å; D61-T65 VanDerWaalsContact O-N 3.09Å; D61-T65 PolarHBondContact O-OG1 2.97Å; R62-T65 PolarHBondContact O-N 3.35Å; T65-W67 VanDerWaalsContact C-N 3.35Å; T65-E68 PolarHBondContact O-N 2.97Å; T65-S69 PolarHBondContact O-N 3.38Å; T65-S69 VanDerWaalsContact O-N 3.12Å
66	L	88.4	Confident	84.1	Confident	26 Å²	26	61.9 Å²	61.9	14%	0.136	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-45.5	175.6	-168.6	64.3	0	0	0	111.6	R62 W64 S69 V70 C88 V91 I92 T130	R62-L66 WeakPolarHBondContact O-CB 3.4Å; R62-L66 PolarHBondContact O-N 3.08Å; W64-L66 VanDerWaalsContact C-N 3.27Å; W64-L66 PolarHBondContact O-N 3.42Å; L66-S69 PolarHBondContact O-N 2.71Å; L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; L66-C88 HydrophobicContact CB-CB 4.42Å; L66-C88 HydrophobicContact CD2-CB 4.02Å; L66-C88 HydrophobicContact CG-CB 4.45Å; L66-V91 HydrophobicContact CD2-CB 3.93Å; L66-V91 HydrophobicContact CD2-CG1 3.76Å; L66-I92 HydrophobicContact CB-CD1 4.34Å; L66-I92 HydrophobicContact CB-CG1 4.45Å; L66-I92 HydrophobicContact CD2-CD1 3.87Å; L66-I92 HydrophobicContact CD2-CG1 3.92Å; L66-T130 HydrophobicContact CD1-CG2 3.15Å; L66-T130 HydrophobicContact CD2-CG2 4.22Å; L66-T130 HydrophobicContact CG-CG2 3.95Å
67	W	88.4	Confident	82.6	Confident	23 Å²	23	63.1 Å²	63.1	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-41.4	178.7	170	77.5	0	0	0	112.3	A63 W64 T65 S69 V70 L71 W85 C88	A63-W67 WeakPolarHBondContact O-CB 3.44Å; A63-W67 PolarHBondContact O-N 3.22Å; W64-W67 HydrophobicContact CD2-CE3 4.18Å; W64-W67 HydrophobicContact CD2-CZ3 4.46Å; W64-W67 HydrophobicContact CE3-CE3 4.05Å; W64-W67 HydrophobicContact CE3-CZ3 4.37Å; W64-W67 AromaticContact CH2-CE3 3.94Å; W64-W67 HydrophobicContact CH2-CE3 3.94Å; W64-W67 HydrophobicContact CH2-CH2 4.03Å; W64-W67 AromaticContact CH2-CZ3 3.43Å; W64-W67 HydrophobicContact CH2-CZ3 3.43Å; W64-W67 VanDerWaalsContact CH2-CZ3 3.43Å; W64-W67 HydrophobicContact CZ2-CE3 4.07Å; W64-W67 HydrophobicContact CZ2-CH2 4.4Å; W64-W67 AromaticContact CZ2-CZ3 3.52Å; W64-W67 HydrophobicContact CZ2-CZ3 3.52Å; W64-W67 AromaticContact CZ3-CE3 3.94Å; W64-W67 HydrophobicContact CZ3-CE3 3.94Å; W64-W67 AromaticContact CZ3-CZ3 3.9Å; W64-W67 HydrophobicContact CZ3-CZ3 3.9Å; W64-W67 WeakPolarHBondContact O-CB 3.43Å; W64-W67 PolarHBondContact O-N 3.13Å; W64-W67 VanDerWaalsContact O-N 3.11Å; T65-W67 VanDerWaalsContact C-N 3.35Å; W67-S69 PolarHBondContact O-N 3.02Å; W67-V70 PolarHBondContact O-N 3.25Å; W67-L71 HydrophobicContact CH2-CD2 4.03Å; W67-L71 HydrophobicContact CZ2-CD2 3.99Å; W67-L71 WeakPolarHBondContact O-CB 3.33Å; W67-L71 PolarHBondContact O-N 3.07Å; W67-W85 AromaticContact CD1-CD1 3.42Å; W67-W85 VanDerWaalsContact CD1-CD1 3.42Å; W67-W85 AromaticContact CD1-NE1 3.64Å; W67-W85 AromaticContact CD2-CD1 3.83Å; W67-W85 AromaticContact CD2-NE1 3.44Å; W67-W85 AromaticContact CE2-CD1 3.86Å; W67-W85 AromaticContact CE2-NE1 3.21Å; W67-W85 AromaticContact CG-CD1 3.55Å; W67-W85 AromaticContact CG-NE1 3.7Å; W67-W85 AromaticContact CZ2-NE1 3.7Å; W67-W85 AromaticContact NE1-CD1 3.58Å; W67-W85 AromaticContact NE1-NE1 3.32Å; W67-C88 HydrophobicContact CB-CB 4.47Å
68	E	87.6	Confident	81.2	Confident	82 Å²	82	63.5 Å²	63.5	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-46.4	175.3	-71.1	176	149.2	0	0	111.2	W64 T65 V70 L71 E72	W64-E68 VanDerWaalsContact NE1-CD 3.32Å; W64-E68 PolarHBondContact NE1-OE1 2.97Å; W64-E68 PolarHBondContact O-N 3.4Å; T65-E68 PolarHBondContact O-N 2.97Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.48Å; E68-L71 WeakPolarHBondContact O-CB 3.46Å; E68-L71 PolarHBondContact O-N 2.87Å; E68-E72 WeakPolarHBondContact O-CG 3.32Å; E68-E72 PolarHBondContact O-N 3.44Å
69	S	84.2	Confident	80	Confident	48 Å²	48	61.6 Å²	61.6	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.3	-179.6	0	0	0	0	112.6	T65 L66 W67 L71 E72 S73	T65-S69 PolarHBondContact O-N 3.38Å; T65-S69 VanDerWaalsContact O-N 3.12Å; L66-S69 PolarHBondContact O-N 2.71Å; W67-S69 PolarHBondContact O-N 3.02Å; S69-L71 VanDerWaalsContact C-N 3.35Å; S69-E72 PolarHBondContact O-N 3.06Å; S69-S73 PolarHBondContact O-N 3.45Å
70	V	80.7	Confident	79.4	Confident	3 Å²	3	64 Å²	64	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-44.8	175.3	169.5	0	0	0	0	110.7	L66 W67 E68 E72 S73 M74 L124 L128	L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 2.86Å; W67-V70 PolarHBondContact O-N 3.25Å; E68-V70 VanDerWaalsContact C-N 3.34Å; E68-V70 PolarHBondContact O-N 3.48Å; V70-E72 PolarHBondContact O-N 3.07Å; V70-S73 PolarHBondContact O-N 2.83Å; V70-S73 PolarHBondContact O-OG 3.12Å; V70-M74 HydrophobicContact CG1-CG 4.21Å; V70-M74 HydrophobicContact CG1-SD 3.69Å; V70-M74 WeakPolarHBondContact O-CG 3.45Å; V70-M74 PolarHBondContact O-N 2.83Å; V70-M74 VanDerWaalsContact O-N 3.16Å; V70-L124 HydrophobicContact CG1-CD2 3.8Å; V70-L124 HydrophobicContact CG2-CD2 4.14Å; V70-L128 HydrophobicContact CB-CD1 4.45Å; V70-L128 HydrophobicContact CG2-CD1 4.05Å
71	L	81.3	Confident	79	Confident	75 Å²	75	68.3 Å²	68.3	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-40.5	-178.9	-173.2	65.8	0	0	0	112.4	W67 E68 S69 S73 V77	W67-L71 HydrophobicContact CH2-CD2 4.03Å; W67-L71 HydrophobicContact CZ2-CD2 3.99Å; W67-L71 WeakPolarHBondContact O-CB 3.33Å; W67-L71 PolarHBondContact O-N 3.07Å; E68-L71 WeakPolarHBondContact O-CB 3.46Å; E68-L71 PolarHBondContact O-N 2.87Å; S69-L71 VanDerWaalsContact C-N 3.35Å; L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.95Å; L71-V77 HydrophobicContact CD1-CG2 3.71Å
72	E	78.3	Confident	78.9	Confident	175 Å²	175	69.4 Å²	69.4	82%	0.818	36%	0.364	S	S	*	.	H	α-helix	trans	-66.7	-27.8	177.4	-71.7	179.9	174.5	0	0	113.2	E68 S69 V70	E68-E72 WeakPolarHBondContact O-CG 3.32Å; E68-E72 PolarHBondContact O-N 3.44Å; S69-E72 PolarHBondContact O-N 3.06Å; V70-E72 PolarHBondContact O-N 3.07Å
73	S	69.9	Low	78.8	Confident	37 Å²	37	67.7 Å²	67.7	26%	0.259	36%	0.358	S	S	.	.	H	α-helix	trans	-94.3	-20.8	-173.3	78.2	0	0	0	0	115.3	S69 V70 L71 L128	S69-S73 PolarHBondContact O-N 3.45Å; V70-S73 PolarHBondContact O-N 2.83Å; V70-S73 PolarHBondContact O-OG 3.12Å; L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.95Å; S73-L128 WeakPolarHBondContact OG-CD1 3.49Å; S73-L128 WeakPolarHBondContact OG-CG 3.46Å
74	M	70	Confident	78.7	Confident	26 Å²	26	67.8 Å²	67.8	13%	0.128	36%	0.358	C	S	.	.			trans	-98.3	112.6	-171.3	-77.4	-167.6	145.1	0	0	111.4	V70 K76 P78 Q123	V70-M74 HydrophobicContact CG1-CG 4.21Å; V70-M74 HydrophobicContact CG1-SD 3.69Å; V70-M74 WeakPolarHBondContact O-CG 3.45Å; V70-M74 PolarHBondContact O-N 2.83Å; V70-M74 VanDerWaalsContact O-N 3.16Å; M74-K76 PolarHBondContact O-N 3.08Å; M74-K76 VanDerWaalsContact O-N 3.15Å; M74-P78 HydrophobicContact CE-CG 4.46Å; M74-P78 HydrophobicContact SD-CG 4.33Å; M74-Q123 HydrophobicContact CE-CB 4.47Å; M74-Q123 WeakPolarHBondContact CE-O 3.31Å
75	D	60.5	Low	78.7	Confident	172 Å²	172	66.5 Å²	66.5	92%	0.92	35%	0.353	S	S	*	.	S	Bend	trans	-60.2	-23.9	174.9	-70.5	-28.6	0	0	0	113.5
76	K	63.7	Low	78.8	Confident	185 Å²	185	62.3 Å²	62.3	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	-140.4	118.2	174.8	-69.3	-175.1	-179.1	179.5	0	110.4	M74 P78	M74-K76 PolarHBondContact O-N 3.08Å; M74-K76 VanDerWaalsContact O-N 3.15Å; K76-P78 VanDerWaalsContact O-CD 3.3Å; K76-P78 WeakPolarHBondContact O-CD 3.38Å
77	V	61	Low	79	Confident	61 Å²	61	61.1 Å²	61.1	37%	0.37	32%	0.322	S	S	.	.			trans	-71.9	116	176.3	-177	0	0	0	0	109.6	L71 G79 L84	L71-V77 HydrophobicContact CD1-CG2 3.71Å; V77-G79 PolarHBondContact O-N 3.32Å; V77-L84 HydrophobicContact CG1-CD1 3.25Å
78	P	59.5	Low	79.1	Confident	33 Å²	33	60 Å²	60	21%	0.214	32%	0.317	C	S	.	.			trans	-78.1	108.6	179.8	27.8	-28.8	0	0	0	110.8	M74 K76 L84 L120	M74-P78 HydrophobicContact CE-CG 4.46Å; M74-P78 HydrophobicContact SD-CG 4.33Å; K76-P78 VanDerWaalsContact O-CD 3.3Å; K76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-L84 HydrophobicContact CG-CD2 4.23Å; P78-L120 HydrophobicContact CB-CD1 4.4Å; P78-L120 HydrophobicContact CG-CD1 4.08Å
79	G	65.1	Low	79.4	Confident	51 Å²	51	56.1 Å²	56.1	53%	0.526	30%	0.299	S	S	.	.	S	Bend	trans	82.3	-161.2	172.3	0	0	0	0	0	114.9	V77	V77-G79 PolarHBondContact O-N 3.32Å
80	S	80.1	Confident	79.8	Confident	52 Å²	52	54.5 Å²	54.5	36%	0.364	29%	0.286	S	S	.	.			trans	-74.3	147.1	178.4	62.4	0	0	0	0	111.7	Q82 R83	S80-Q82 PolarHBondContact O-N 2.87Å; S80-R83 WeakPolarHBondContact O-CB 3.46Å; S80-R83 PolarHBondContact O-N 2.8Å; S80-R83 WeakPolarHBondContact OG-CD 3.43Å; S80-R83 WeakPolarHBondContact OG-CG 3.37Å
81	Q	84.8	Confident	80.3	Confident	89 Å²	89	54.4 Å²	54.4	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-55.6	-36	178.4	-67.4	-177.3	-10	0	0	112.3	R83 L84 W85	Q81-R83 VanDerWaalsContact C-N 3.29Å; Q81-R83 PolarHBondContact O-N 3.36Å; Q81-L84 PolarHBondContact O-N 3.47Å; Q81-L84 VanDerWaalsContact O-N 3.13Å; Q81-W85 HydrophobicContact CB-CH2 4.14Å; Q81-W85 HydrophobicContact CB-CZ2 3.84Å; Q81-W85 PolarHBondContact O-N 3.4Å
82	Q	88.4	Confident	80.9	Confident	75 Å²	75	51.6 Å²	51.6	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-37.5	175.6	-166.7	-176.5	23.9	0	0	113.8	L49 S80 W85 G86 A109 I110	L49-Q82 HydrophobicContact CD2-CG 4.39Å; S80-Q82 PolarHBondContact O-N 2.87Å; Q82-W85 HydrophobicContact CB-CE3 4.24Å; Q82-W85 HydrophobicContact CB-CZ3 4.42Å; Q82-W85 HydrophobicContact CG-CE3 4.46Å; Q82-W85 PolarHBondContact O-N 2.87Å; Q82-G86 PolarHBondContact O-N 3.23Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; Q82-A109 PolarHBondContact NE2-O 3.39Å; Q82-I110 WeakPolarHBondContact O-CG2 3.29Å
83	R	90.2	Very high	81.5	Confident	92 Å²	92	43.8 Å²	43.8	35%	0.347	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-40.3	177.5	-69.9	170.3	179.5	173.1	2.6	111.5	S80 Q81 G86 A87 I110 L112 L120	S80-R83 WeakPolarHBondContact O-CB 3.46Å; S80-R83 PolarHBondContact O-N 2.8Å; S80-R83 WeakPolarHBondContact OG-CD 3.43Å; S80-R83 WeakPolarHBondContact OG-CG 3.37Å; Q81-R83 VanDerWaalsContact C-N 3.29Å; Q81-R83 PolarHBondContact O-N 3.36Å; R83-G86 PolarHBondContact O-N 3.41Å; R83-A87 PolarHBondContact O-N 3.48Å; R83-I110 HydrophobicContact CG-CB 4.37Å; R83-L112 HydrophobicContact CB-CD1 4.23Å; R83-L112 HydrophobicContact CG-CD1 3.95Å; R83-L112 HydrophobicContact CG-CD2 4.39Å; R83-L112 HydrophobicContact CG-CG 4.09Å; R83-L120 HydrophobicContact CB-CD2 3.73Å; R83-L120 WeakPolarHBondContact O-CD2 3.21Å
84	L	88.8	Confident	82.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-38.6	176.9	-71.3	169.7	0	0	0	111.9	V77 P78 Q81 G86 A87 C88 L120 L124	V77-L84 HydrophobicContact CG1-CD1 3.25Å; P78-L84 HydrophobicContact CG-CD2 4.23Å; Q81-L84 PolarHBondContact O-N 3.47Å; Q81-L84 VanDerWaalsContact O-N 3.13Å; L84-G86 PolarHBondContact O-N 3.3Å; L84-A87 PolarHBondContact O-N 3.43Å; L84-C88 PolarHBondContact O-N 2.84Å; L84-C88 PolarHBondContact O-SG 3.04Å; L84-L120 HydrophobicContact CD2-CD1 3.86Å; L84-L124 HydrophobicContact CD2-CD2 3.92Å
85	W	92.3	Very high	83.3	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-46.2	172.6	-64.9	-27.2	0	0	0	112	H43 E45 F46 L49 W67 Q81 Q82 A87 C88 L89	H43-W85 HydrophobicContact CB-CH2 4.13Å; H43-W85 HydrophobicContact CB-CZ2 4.04Å; H43-W85 AromaticContact CE1-CH2 3.84Å; H43-W85 AromaticContact CG-CH2 3.72Å; H43-W85 AromaticContact CG-CZ2 3.99Å; H43-W85 AromaticContact ND1-CH2 3.34Å; H43-W85 VanDerWaalsContact ND1-CH2 3.34Å; H43-W85 WeakPolarHBondContact ND1-CH2 3.28Å; E45-W85 HydrophobicContact CB-CH2 4.27Å; E45-W85 HydrophobicContact CB-CZ3 3.8Å; F46-W85 HydrophobicContact CB-CD2 3.86Å; F46-W85 HydrophobicContact CB-CE3 3.84Å; F46-W85 HydrophobicContact CB-CG 4.46Å; F46-W85 HydrophobicContact CB-CH2 4.33Å; F46-W85 HydrophobicContact CB-CZ2 4.26Å; F46-W85 HydrophobicContact CB-CZ3 4.1Å; F46-W85 HydrophobicContact CD2-CB 3.7Å; F46-W85 AromaticContact CD2-CD1 3.81Å; F46-W85 AromaticContact CD2-CD2 3.78Å; F46-W85 HydrophobicContact CD2-CD2 3.78Å; F46-W85 HydrophobicContact CD2-CE3 4.28Å; F46-W85 AromaticContact CD2-CG 3.48Å; F46-W85 HydrophobicContact CD2-CG 3.48Å; F46-W85 VanDerWaalsContact CD2-CG 3.48Å; F46-W85 HydrophobicContact CE2-CB 4.07Å; F46-W85 HydrophobicContact CE2-CG 4.16Å; F46-W85 HydrophobicContact CG-CD2 4.27Å; F46-W85 HydrophobicContact CG-CG 4.38Å; L49-W85 HydrophobicContact CD2-CB 3.9Å; W67-W85 AromaticContact CD1-CD1 3.42Å; W67-W85 VanDerWaalsContact CD1-CD1 3.42Å; W67-W85 AromaticContact CD1-NE1 3.64Å; W67-W85 AromaticContact CD2-CD1 3.83Å; W67-W85 AromaticContact CD2-NE1 3.44Å; W67-W85 AromaticContact CE2-CD1 3.86Å; W67-W85 AromaticContact CE2-NE1 3.21Å; W67-W85 AromaticContact CG-CD1 3.55Å; W67-W85 AromaticContact CG-NE1 3.7Å; W67-W85 AromaticContact CZ2-NE1 3.7Å; W67-W85 AromaticContact NE1-CD1 3.58Å; W67-W85 AromaticContact NE1-NE1 3.32Å; Q81-W85 HydrophobicContact CB-CH2 4.14Å; Q81-W85 HydrophobicContact CB-CZ2 3.84Å; Q81-W85 PolarHBondContact O-N 3.4Å; Q82-W85 HydrophobicContact CB-CE3 4.24Å; Q82-W85 HydrophobicContact CB-CZ3 4.42Å; Q82-W85 HydrophobicContact CG-CE3 4.46Å; Q82-W85 PolarHBondContact O-N 2.87Å; W85-A87 VanDerWaalsContact C-N 3.33Å; W85-A87 PolarHBondContact O-N 2.78Å; W85-C88 PolarHBondContact O-N 2.64Å; W85-L89 WeakPolarHBondContact O-CB 3.49Å; W85-L89 WeakPolarHBondContact O-CG 3.32Å; W85-L89 PolarHBondContact O-N 3.47Å
86	G	92.3	Very high	84.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-38.8	175.5	0	0	0	0	0	113.2	Q82 R83 L84 F90	Q82-G86 PolarHBondContact O-N 3.23Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; R83-G86 PolarHBondContact O-N 3.41Å; L84-G86 PolarHBondContact O-N 3.3Å; G86-F90 PolarHBondContact O-N 3.25Å
87	A	91.3	Very high	85.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-44.3	174.4	0	0	0	0	0	112.1	R83 L84 W85 F90 V91 F117 L120 V121 L124	R83-A87 PolarHBondContact O-N 3.48Å; L84-A87 PolarHBondContact O-N 3.43Å; W85-A87 VanDerWaalsContact C-N 3.33Å; W85-A87 PolarHBondContact O-N 2.78Å; A87-F90 PolarHBondContact O-N 2.84Å; A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.2Å; A87-F117 HydrophobicContact CB-CE2 4.43Å; A87-L120 HydrophobicContact CB-CD2 4.12Å; A87-L120 HydrophobicContact CB-CG 4.27Å; A87-V121 HydrophobicContact CB-CG2 3.93Å; A87-L124 HydrophobicContact CB-CD1 3.89Å
88	C	91.7	Very high	87	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177.1	-65.5	0	0	0	0	111.9	L66 W67 L84 W85 F90 V91 I92	L66-C88 HydrophobicContact CB-CB 4.42Å; L66-C88 HydrophobicContact CD2-CB 4.02Å; L66-C88 HydrophobicContact CG-CB 4.45Å; W67-C88 HydrophobicContact CB-CB 4.47Å; L84-C88 PolarHBondContact O-N 2.84Å; L84-C88 PolarHBondContact O-SG 3.04Å; W85-C88 PolarHBondContact O-N 2.64Å; C88-F90 VanDerWaalsContact C-N 3.35Å; C88-F90 PolarHBondContact O-N 3.44Å; C88-V91 PolarHBondContact O-N 3.35Å; C88-I92 WeakPolarHBondContact O-CG1 3.38Å; C88-I92 PolarHBondContact O-N 3.48Å
89	L	93.7	Very high	88.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-46.3	174.2	-77.8	168.2	0	0	0	111.3	F46 L49 L53 V55 V59 A63 W85 V91 I92 V93 F101	F46-L89 HydrophobicContact CE2-CD1 4.49Å; F46-L89 HydrophobicContact CE2-CG 4.47Å; L49-L89 HydrophobicContact CD2-CD1 4.14Å; L49-L89 HydrophobicContact CG-CD1 4.22Å; L53-L89 HydrophobicContact CD1-CD1 4.12Å; V55-L89 HydrophobicContact CG1-CD2 4.02Å; V55-L89 HydrophobicContact CG2-CD2 4.17Å; V59-L89 HydrophobicContact CG1-CD2 4.25Å; A63-L89 HydrophobicContact CB-CD2 3.58Å; A63-L89 HydrophobicContact CB-CG 4.03Å; W85-L89 WeakPolarHBondContact O-CB 3.49Å; W85-L89 WeakPolarHBondContact O-CG 3.32Å; W85-L89 PolarHBondContact O-N 3.47Å; L89-V91 PolarHBondContact O-N 3.29Å; L89-I92 PolarHBondContact O-N 3.02Å; L89-V93 VanDerWaalsContact O-CB 3.27Å; L89-V93 WeakPolarHBondContact O-CB 3.44Å; L89-V93 WeakPolarHBondContact O-CG2 3.32Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-F101 HydrophobicContact CB-CE1 4.27Å; L89-F101 HydrophobicContact CB-CZ 4.26Å
90	F	92.9	Very high	89	Confident	14 Å²	14	34.1 Å²	34.1	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-43.6	176.9	175.4	-92.7	0	0	0	112.8	G86 A87 C88 T94 V103 F117 V121 V135 L139 L142	G86-F90 PolarHBondContact O-N 3.25Å; A87-F90 PolarHBondContact O-N 2.84Å; C88-F90 VanDerWaalsContact C-N 3.35Å; C88-F90 PolarHBondContact O-N 3.44Å; F90-T94 VanDerWaalsContact O-CB 3.26Å; F90-T94 WeakPolarHBondContact O-CB 3.47Å; F90-T94 PolarHBondContact O-N 2.94Å; F90-T94 PolarHBondContact O-OG1 2.88Å; F90-V103 HydrophobicContact CE2-CG2 4.47Å; F90-F117 HydrophobicContact CB-CE1 4.45Å; F90-F117 HydrophobicContact CB-CZ 3.66Å; F90-F117 HydrophobicContact CD1-CE1 4.23Å; F90-F117 HydrophobicContact CD1-CZ 4.12Å; F90-F117 HydrophobicContact CD2-CE1 4.07Å; F90-F117 HydrophobicContact CD2-CZ 4.07Å; F90-F117 HydrophobicContact CE2-CE1 4.4Å; F90-F117 AromaticContact CG-CE1 3.98Å; F90-F117 HydrophobicContact CG-CE1 3.98Å; F90-F117 AromaticContact CG-CZ 3.68Å; F90-F117 HydrophobicContact CG-CZ 3.68Å; F90-V121 HydrophobicContact CD1-CG1 4.45Å; F90-V121 HydrophobicContact CD1-CG2 4.34Å; F90-V135 HydrophobicContact CE1-CG1 4.28Å; F90-L139 HydrophobicContact CD1-CD2 4.47Å; F90-L139 HydrophobicContact CE1-CD2 3.62Å; F90-L139 HydrophobicContact CE1-CG 4.13Å; F90-L139 HydrophobicContact CZ-CD2 4.16Å; F90-L142 HydrophobicContact CZ-CD2 4.48Å
91	V	91.3	Very high	89.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-53.4	177	172.5	0	0	0	0	110.2	L66 A87 C88 L89 V93 T94 D95 V121 L124 V135	L66-V91 HydrophobicContact CD2-CB 3.93Å; L66-V91 HydrophobicContact CD2-CG1 3.76Å; A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.2Å; C88-V91 PolarHBondContact O-N 3.35Å; L89-V91 PolarHBondContact O-N 3.29Å; V91-V93 PolarHBondContact O-N 3.26Å; V91-T94 PolarHBondContact O-N 3.48Å; V91-D95 WeakPolarHBondContact O-CB 3.45Å; V91-D95 PolarHBondContact O-N 3.25Å; V91-V121 HydrophobicContact CG2-CG1 4.01Å; V91-L124 HydrophobicContact CG2-CD1 4.23Å; V91-V135 HydrophobicContact CG1-CG2 4.14Å; V91-V135 HydrophobicContact CG2-CG1 4.21Å
92	I	92.3	Very high	90.1	Very high	17 Å²	17	28.1 Å²	28.1	9%	0.087	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-44.4	-177.4	-65.9	-56.2	0	0	0	112.2	V59 R62 A63 L66 C88 L89 T94 D95 M96	V59-I92 HydrophobicContact CG1-CG2 3.95Å; R62-I92 HydrophobicContact CB-CD1 4.15Å; R62-I92 HydrophobicContact CB-CG1 4.28Å; R62-I92 HydrophobicContact CB-CG2 3.8Å; A63-I92 HydrophobicContact CB-CB 4.48Å; A63-I92 HydrophobicContact CB-CG1 4.13Å; L66-I92 HydrophobicContact CB-CD1 4.34Å; L66-I92 HydrophobicContact CB-CG1 4.45Å; L66-I92 HydrophobicContact CD2-CD1 3.87Å; L66-I92 HydrophobicContact CD2-CG1 3.92Å; C88-I92 WeakPolarHBondContact O-CG1 3.38Å; C88-I92 PolarHBondContact O-N 3.48Å; L89-I92 PolarHBondContact O-N 3.02Å; I92-T94 VanDerWaalsContact C-N 3.29Å; I92-T94 PolarHBondContact O-N 3.39Å; I92-D95 PolarHBondContact O-N 3.37Å; I92-M96 HydrophobicContact CG2-CG 4.22Å; I92-M96 HydrophobicContact CG2-SD 3.53Å; I92-M96 VanDerWaalsContact CG2-SD 3.53Å; I92-M96 WeakPolarHBondContact O-CB 3.11Å; I92-M96 VanDerWaalsContact O-CG 3.29Å; I92-M96 WeakPolarHBondContact O-CG 3.49Å; I92-M96 PolarHBondContact O-N 3Å
93	V	91.9	Very high	90.4	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-42.6	178.6	167.7	0	0	0	0	110.6	V59 L89 V91 D97 V98 F101	V59-V93 HydrophobicContact CG1-CG2 3.6Å; L89-V93 VanDerWaalsContact O-CB 3.27Å; L89-V93 WeakPolarHBondContact O-CB 3.44Å; L89-V93 WeakPolarHBondContact O-CG2 3.32Å; L89-V93 PolarHBondContact O-N 3.47Å; V91-V93 PolarHBondContact O-N 3.26Å; V93-D97 PolarHBondContact O-N 3.49Å; V93-D97 VanDerWaalsContact O-N 3.09Å; V93-V98 WeakPolarHBondContact CG1-O 3.5Å; V93-V98 PolarHBondContact O-N 2.88Å; V93-V98 VanDerWaalsContact O-N 3.12Å; V93-F101 HydrophobicContact CB-CE1 4.42Å; V93-F101 HydrophobicContact CB-CZ 3.94Å; V93-F101 HydrophobicContact CG1-CE2 4.29Å; V93-F101 HydrophobicContact CG1-CZ 4.11Å; V93-F101 HydrophobicContact CG2-CE1 3.67Å; V93-F101 HydrophobicContact CG2-CZ 3.66Å
94	T	89.9	Confident	90.6	Very high	23 Å²	23	21.3 Å²	21.3	14%	0.141	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-44.5	177.7	-56.7	0	0	0	0	111.7	F90 V91 I92 M96 D97 K134 V135 A138	F90-T94 VanDerWaalsContact O-CB 3.26Å; F90-T94 WeakPolarHBondContact O-CB 3.47Å; F90-T94 PolarHBondContact O-N 2.94Å; F90-T94 PolarHBondContact O-OG1 2.88Å; V91-T94 PolarHBondContact O-N 3.48Å; I92-T94 VanDerWaalsContact C-N 3.29Å; I92-T94 PolarHBondContact O-N 3.39Å; T94-M96 PolarHBondContact O-N 2.89Å; T94-D97 PolarHBondContact O-N 3.44Å; T94-K134 WeakPolarHBondContact O-CD 3.3Å; T94-K134 WeakPolarHBondContact O-CE 3.27Å; T94-K134 PolarHBondContact O-NZ 3.45Å; T94-V135 HydrophobicContact CG2-CB 4.33Å; T94-V135 HydrophobicContact CG2-CG2 3.87Å; T94-A138 HydrophobicContact CG2-CB 3.67Å
95	D	88.4	Confident	90.9	Very high	56 Å²	56	24.7 Å²	24.7	30%	0.299	14%	0.141	S	C	.	.	H	α-helix	trans	-60.1	-46.6	177.4	-83.8	-21	0	0	0	112.2	V91 I92 D97 S132 V135	V91-D95 WeakPolarHBondContact O-CB 3.45Å; V91-D95 PolarHBondContact O-N 3.25Å; I92-D95 PolarHBondContact O-N 3.37Å; D95-D97 VanDerWaalsContact C-N 3.28Å; D95-D97 PolarHBondContact O-N 3.36Å; D95-S132 WeakPolarHBondContact OD1-CB 3.49Å; D95-S132 PolarHBondContact OD1-OG 3.32Å; D95-V135 WeakPolarHBondContact OD1-CG2 3.48Å
96	M	88.4	Confident	91	Very high	45 Å²	45	24.7 Å²	24.7	22%	0.222	14%	0.142	C	C	.	.	H	α-helix	trans	-79	-9.1	-177.1	-64.7	-179.9	60.9	0	0	114.1	L58 V59 R62 I92 T94 V98	L58-M96 HydrophobicContact CD2-CE 3.55Å; L58-M96 HydrophobicContact CG-CE 3.86Å; V59-M96 HydrophobicContact CG2-CE 4.21Å; V59-M96 HydrophobicContact CG2-SD 4.06Å; R62-M96 VanDerWaalsContact CD-SD 3.5Å; I92-M96 HydrophobicContact CG2-CG 4.22Å; I92-M96 HydrophobicContact CG2-SD 3.53Å; I92-M96 VanDerWaalsContact CG2-SD 3.53Å; I92-M96 WeakPolarHBondContact O-CB 3.11Å; I92-M96 VanDerWaalsContact O-CG 3.29Å; I92-M96 WeakPolarHBondContact O-CG 3.49Å; I92-M96 PolarHBondContact O-N 3Å; T94-M96 PolarHBondContact O-N 2.89Å; M96-V98 HydrophobicContact CB-CB 4.48Å; M96-V98 HydrophobicContact CB-CG2 3.66Å; M96-V98 HydrophobicContact CE-CG2 4.17Å; M96-V98 PolarHBondContact O-N 3.34Å
97	D	87	Confident	91.1	Very high	128 Å²	128	24.7 Å²	24.7	68%	0.684	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	28.8	-172.8	-140.2	39.2	0	0	0	114.3	V93 T94 D95 K134	V93-D97 PolarHBondContact O-N 3.49Å; V93-D97 VanDerWaalsContact O-N 3.09Å; T94-D97 PolarHBondContact O-N 3.44Å; D95-D97 VanDerWaalsContact C-N 3.28Å; D95-D97 PolarHBondContact O-N 3.36Å; D97-K134 IonicContact OD1-NZ 3.85Å; D97-K134 PolarHBondContact OD1-NZ 2.97Å
98	V	87.3	Confident	91.2	Very high	52 Å²	52	29.5 Å²	29.5	32%	0.315	16%	0.163	S	C	.	.			trans	-89.7	145.1	-176.4	-179.4	0	0	0	0	109.9	V59 V93 M96	V59-V98 HydrophobicContact CG2-CB 4.38Å; V59-V98 HydrophobicContact CG2-CG1 4.28Å; V59-V98 HydrophobicContact CG2-CG2 4.41Å; V93-V98 WeakPolarHBondContact CG1-O 3.5Å; V93-V98 PolarHBondContact O-N 2.88Å; V93-V98 VanDerWaalsContact O-N 3.12Å; M96-V98 HydrophobicContact CB-CB 4.48Å; M96-V98 HydrophobicContact CB-CG2 3.66Å; M96-V98 HydrophobicContact CE-CG2 4.17Å; M96-V98 PolarHBondContact O-N 3.34Å
99	G	81.4	Confident	91.2	Very high	37 Å²	37	30.7 Å²	30.7	38%	0.381	17%	0.173	S	C	.	.			trans	-100.4	79.7	-178.5	0	0	0	0	0	115.4
100	S	85.5	Confident	91.1	Very high	20 Å²	20	30.8 Å²	30.8	14%	0.14	17%	0.173	C	C	.	.			trans	-99.5	-45.7	-174.9	-52.7	0	0	0	0	113.3
101	F	92.7	Very high	91	Very high	13 Å²	13	34.7 Å²	34.7	6%	0.057	20%	0.202	C	C	.	.			trans	-147.9	166.6	-172.2	48	-108.5	0	0	0	111.6	L53 V55 L89 V93 Q105 V106	L53-F101 HydrophobicContact CB-CB 4.4Å; L53-F101 HydrophobicContact CB-CD1 3.79Å; L53-F101 HydrophobicContact CB-CG 4.43Å; L53-F101 HydrophobicContact CD1-CD1 4.22Å; L53-F101 HydrophobicContact CD1-CE1 4.37Å; L53-F101 HydrophobicContact CD2-CB 4.11Å; L53-F101 HydrophobicContact CD2-CD1 4.47Å; L53-F101 HydrophobicContact CD2-CG 4.38Å; L53-F101 HydrophobicContact CG-CD1 4.39Å; V55-F101 HydrophobicContact CG2-CD1 4Å; V55-F101 HydrophobicContact CG2-CE1 3.98Å; L89-F101 HydrophobicContact CB-CE1 4.27Å; L89-F101 HydrophobicContact CB-CZ 4.26Å; V93-F101 HydrophobicContact CB-CE1 4.42Å; V93-F101 HydrophobicContact CB-CZ 3.94Å; V93-F101 HydrophobicContact CG1-CE2 4.29Å; V93-F101 HydrophobicContact CG1-CZ 4.11Å; V93-F101 HydrophobicContact CG2-CE1 3.67Å; V93-F101 HydrophobicContact CG2-CZ 3.66Å; F101-Q105 VanDerWaalsContact CA-OE1 3.24Å; F101-Q105 HydrophobicContact CB-CB 4.32Å; F101-V106 HydrophobicContact CB-CG2 4.5Å; F101-V106 HydrophobicContact CD1-CG2 4.29Å; F101-V106 HydrophobicContact CD2-CG2 3.12Å; F101-V106 HydrophobicContact CE1-CG2 4.28Å; F101-V106 HydrophobicContact CE2-CG2 3.17Å; F101-V106 HydrophobicContact CG-CG2 3.72Å; F101-V106 HydrophobicContact CZ-CG2 3.76Å
102	T	93.9	Very high	91	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	20%	0.204	C	C	.	.			trans	-87.4	160.6	168	77.6	0	0	0	0	111.3	T104 Q105 V106 Y311 L312 R315	T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 3.13Å; T102-T104 PolarHBondContact OG1-N 3.02Å; T102-Q105 PolarHBondContact O-N 3.31Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.45Å; T102-Q105 PolarHBondContact OG1-N 3.29Å; T102-Q105 VanDerWaalsContact OG1-N 3.12Å; T102-V106 PolarHBondContact O-N 3.4Å; T102-Y311 WeakPolarHBondContact CB-OH 3.39Å; T102-Y311 HydrophobicContact CG2-CE1 4.34Å; T102-Y311 HydrophobicContact CG2-CE2 4.09Å; T102-Y311 PolarHBondContact OG1-OH 2.84Å; T102-L312 HydrophobicContact CG2-CD2 4.19Å; T102-R315 WeakPolarHBondContact CA-O 3.38Å
103	V	94.4	Very high	91	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-44.6	173.7	176.2	0	0	0	0	110.6	F90 Q105 V106 L107 L114 L142 R315 D316 I317	F90-V103 HydrophobicContact CE2-CG2 4.47Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.36Å; V103-V106 PolarHBondContact O-N 3.28Å; V103-L107 HydrophobicContact CG1-CD1 4Å; V103-L107 HydrophobicContact CG1-CG 4.18Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.8Å; V103-L114 HydrophobicContact CG1-CD1 3.85Å; V103-L142 HydrophobicContact CG1-CD1 4.34Å; V103-L142 HydrophobicContact CG1-CD2 3.96Å; V103-L142 HydrophobicContact CG2-CD1 4.08Å; V103-L142 HydrophobicContact CG2-CD2 3.95Å; V103-R315 PolarHBondContact N-O 3.47Å; V103-R315 VanDerWaalsContact N-O 3.11Å; V103-D316 PolarHBondContact N-O 2.76Å; V103-I317 HydrophobicContact CB-CG1 4.11Å; V103-I317 HydrophobicContact CG1-CG1 3.81Å
104	T	94.6	Very high	91	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-42.4	177.3	-70.1	0	0	0	0	112.5	T102 V106 L107 K108 Y311 I317 D318 L321	T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 3.13Å; T102-T104 PolarHBondContact OG1-N 3.02Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 2.56Å; T104-L107 PolarHBondContact O-N 2.83Å; T104-K108 HydrophobicContact CG2-CG 4.37Å; T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.42Å; T104-K108 PolarHBondContact O-N 2.83Å; T104-Y311 WeakPolarHBondContact CB-OH 3.43Å; T104-I317 WeakPolarHBondContact OG1-CA 3.39Å; T104-D318 HydrophobicContact CG2-CB 4.41Å; T104-D318 PolarHBondContact OG1-N 3.3Å; T104-L321 HydrophobicContact CG2-CD1 3.58Å
105	Q	95.1	Very high	91	Very high	73 Å²	73	37.1 Å²	37.1	34%	0.341	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-41.9	178.8	-75.1	171	-27.4	0	0	111.8	L53 F101 T102 V103 A109	L53-Q105 HydrophobicContact CD2-CB 4.01Å; F101-Q105 VanDerWaalsContact CA-OE1 3.24Å; F101-Q105 HydrophobicContact CB-CB 4.32Å; T102-Q105 PolarHBondContact O-N 3.31Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.45Å; T102-Q105 PolarHBondContact OG1-N 3.29Å; T102-Q105 VanDerWaalsContact OG1-N 3.12Å; V103-Q105 VanDerWaalsContact C-N 3.31Å; V103-Q105 PolarHBondContact O-N 3.36Å; Q105-A109 WeakPolarHBondContact O-CB 3.49Å; Q105-A109 PolarHBondContact O-N 2.96Å
106	V	94.6	Very high	91.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-48.7	175.9	177.8	0	0	0	0	111.3	L53 F101 T102 V103 T104 K108 A109 I110 F117	L53-V106 HydrophobicContact CD1-CG2 4.31Å; L53-V106 HydrophobicContact CD2-CG2 4.39Å; F101-V106 HydrophobicContact CB-CG2 4.5Å; F101-V106 HydrophobicContact CD1-CG2 4.29Å; F101-V106 HydrophobicContact CD2-CG2 3.12Å; F101-V106 HydrophobicContact CE1-CG2 4.28Å; F101-V106 HydrophobicContact CE2-CG2 3.17Å; F101-V106 HydrophobicContact CG-CG2 3.72Å; F101-V106 HydrophobicContact CZ-CG2 3.76Å; T102-V106 PolarHBondContact O-N 3.4Å; V103-V106 PolarHBondContact O-N 3.28Å; T104-V106 VanDerWaalsContact C-N 3.33Å; T104-V106 PolarHBondContact O-N 2.56Å; V106-K108 VanDerWaalsContact C-N 3.27Å; V106-K108 PolarHBondContact O-N 2.76Å; V106-A109 PolarHBondContact O-N 3.32Å; V106-A109 VanDerWaalsContact O-N 3.11Å; V106-I110 HydrophobicContact CG1-CD1 4.07Å; V106-I110 WeakPolarHBondContact O-CG1 3.45Å; V106-I110 PolarHBondContact O-N 3.47Å; V106-F117 HydrophobicContact CG1-CE2 3.97Å; V106-F117 HydrophobicContact CG1-CZ 4.09Å
107	L	94	Very high	91.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-55.8	-43.3	-179.8	-68.6	178.7	0	0	0	111.7	V103 T104 S111 L112 L114 F117	V103-L107 HydrophobicContact CG1-CD1 4Å; V103-L107 HydrophobicContact CG1-CG 4.18Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.8Å; T104-L107 PolarHBondContact O-N 2.83Å; L107-S111 WeakPolarHBondContact O-CA 3.48Å; L107-S111 PolarHBondContact O-N 2.77Å; L107-L112 WeakPolarHBondContact CB-O 3.41Å; L107-L112 PolarHBondContact O-N 3.46Å; L107-L112 VanDerWaalsContact O-N 3.09Å; L107-L114 HydrophobicContact CD1-CB 4.1Å; L107-L114 HydrophobicContact CD1-CD1 4Å; L107-L114 HydrophobicContact CD2-CD1 4.41Å; L107-F117 HydrophobicContact CD2-CB 3.44Å; L107-F117 VanDerWaalsContact CD2-CB 3.44Å; L107-F117 HydrophobicContact CD2-CD1 4.02Å; L107-F117 HydrophobicContact CD2-CD2 4.39Å; L107-F117 HydrophobicContact CD2-CG 3.7Å
108	K	93.3	Very high	91.5	Very high	100 Å²	100	30.9 Å²	30.9	44%	0.435	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-47.1	175.1	-71.2	-64.4	-167.2	178.9	0	112.1	T104 V106 I110 S111 D326	T104-K108 HydrophobicContact CG2-CG 4.37Å; T104-K108 WeakPolarHBondContact O-CB 3.26Å; T104-K108 WeakPolarHBondContact O-CG 3.42Å; T104-K108 PolarHBondContact O-N 2.83Å; V106-K108 VanDerWaalsContact C-N 3.27Å; V106-K108 PolarHBondContact O-N 2.76Å; K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 2.86Å; K108-S111 PolarHBondContact O-N 3.19Å; K108-D326 WeakPolarHBondContact CE-OD1 3.14Å; K108-D326 IonicContact NZ-OD1 2.98Å; K108-D326 PolarHBondContact NZ-OD1 2.9Å; K108-D326 IonicContact NZ-OD2 2.75Å; K108-D326 PolarHBondContact NZ-OD2 3.11Å
109	A	92.3	Very high	91.5	Very high	26 Å²	26	30.7 Å²	30.7	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-31.5	-177	0	0	0	0	0	113.4	L49 L53 Q82 Q105 V106	L49-A109 HydrophobicContact CD1-CB 3.6Å; L53-A109 HydrophobicContact CD2-CB 4.16Å; L53-A109 HydrophobicContact CG-CB 4.48Å; Q82-A109 PolarHBondContact NE2-O 3.39Å; Q105-A109 WeakPolarHBondContact O-CB 3.49Å; Q105-A109 PolarHBondContact O-N 2.96Å; V106-A109 PolarHBondContact O-N 3.32Å; V106-A109 VanDerWaalsContact O-N 3.11Å
110	I	91.9	Very high	91.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-103.3	1.7	178.5	71.7	-172.1	0	0	0	114.3	Q82 R83 V106 K108 L112 F117	Q82-I110 WeakPolarHBondContact O-CG2 3.29Å; R83-I110 HydrophobicContact CG-CB 4.37Å; V106-I110 HydrophobicContact CG1-CD1 4.07Å; V106-I110 WeakPolarHBondContact O-CG1 3.45Å; V106-I110 PolarHBondContact O-N 3.47Å; K108-I110 VanDerWaalsContact C-N 3.26Å; K108-I110 PolarHBondContact O-N 2.86Å; I110-L112 HydrophobicContact CD1-CB 4.28Å; I110-L112 HydrophobicContact CD1-CD1 3.84Å; I110-L112 HydrophobicContact CD1-CG 4.22Å; I110-L112 HydrophobicContact CG1-CB 4Å; I110-L112 HydrophobicContact CG1-CD1 4.14Å; I110-L112 HydrophobicContact CG1-CG 3.97Å; I110-L112 PolarHBondContact O-N 2.85Å; I110-F117 HydrophobicContact CD1-CD2 3.48Å; I110-F117 VanDerWaalsContact CD1-CD2 3.48Å; I110-F117 HydrophobicContact CD1-CE2 3.75Å
111	S	91.6	Very high	91.9	Very high	95 Å²	95	28.6 Å²	28.6	66%	0.664	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	52.2	-179.3	-57	0	0	0	0	113.1	L107 K108	L107-S111 WeakPolarHBondContact O-CA 3.48Å; L107-S111 PolarHBondContact O-N 2.77Å; K108-S111 PolarHBondContact O-N 3.19Å
112	L	91.3	Very high	91.5	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.058	17%	0.168	C	C	.	.			trans	-123.2	148.5	173.6	-71.3	-176.6	0	0	0	110.7	R83 L107 I110 Q116 F117 L120	R83-L112 HydrophobicContact CB-CD1 4.23Å; R83-L112 HydrophobicContact CG-CD1 3.95Å; R83-L112 HydrophobicContact CG-CD2 4.39Å; R83-L112 HydrophobicContact CG-CG 4.09Å; L107-L112 WeakPolarHBondContact CB-O 3.41Å; L107-L112 PolarHBondContact O-N 3.46Å; L107-L112 VanDerWaalsContact O-N 3.09Å; I110-L112 HydrophobicContact CD1-CB 4.28Å; I110-L112 HydrophobicContact CD1-CD1 3.84Å; I110-L112 HydrophobicContact CD1-CG 4.22Å; I110-L112 HydrophobicContact CG1-CB 4Å; I110-L112 HydrophobicContact CG1-CD1 4.14Å; I110-L112 HydrophobicContact CG1-CG 3.97Å; I110-L112 PolarHBondContact O-N 2.85Å; L112-Q116 HydrophobicContact CB-CB 4.45Å; L112-Q116 HydrophobicContact CD2-CB 4.14Å; L112-F117 HydrophobicContact CB-CB 4.45Å; L112-L120 HydrophobicContact CD1-CD2 3.85Å
113	N	91.8	Very high	90.8	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.107	19%	0.187	C	C	.	.			trans	-79.4	161.9	163.1	72.2	52.5	0	0	0	111.2	K115 Q116 F117 E327 S328	N113-K115 PolarHBondContact O-N 2.98Å; N113-K115 PolarHBondContact OD1-N 3.23Å; N113-Q116 PolarHBondContact ND2-OE1 3.23Å; N113-Q116 WeakPolarHBondContact O-CB 3.49Å; N113-Q116 PolarHBondContact O-N 3.36Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.47Å; N113-Q116 PolarHBondContact OD1-N 2.95Å; N113-F117 PolarHBondContact O-N 3.28Å; N113-E327 VanDerWaalsContact CB-O 3.27Å; N113-E327 WeakPolarHBondContact CB-O 3.44Å; N113-S328 VanDerWaalsContact CA-O 3.31Å; N113-S328 WeakPolarHBondContact CA-O 3.15Å
114	L	91.9	Very high	90	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-175.3	-173.6	75.6	0	0	0	113.6	V103 L107 Q116 F117 L118 L142 Y146 I317 S328	V103-L114 HydrophobicContact CG1-CD1 3.85Å; L107-L114 HydrophobicContact CD1-CB 4.1Å; L107-L114 HydrophobicContact CD1-CD1 4Å; L107-L114 HydrophobicContact CD2-CD1 4.41Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.25Å; L114-F117 WeakPolarHBondContact O-CB 3.49Å; L114-F117 PolarHBondContact O-N 3.39Å; L114-F117 VanDerWaalsContact O-N 3.15Å; L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CD2-CD1 4.2Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 HydrophobicContact CG-CG 4.16Å; L114-L118 VanDerWaalsContact O-CG 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.09Å; L114-L142 HydrophobicContact CD1-CD2 3.91Å; L114-L142 HydrophobicContact CD1-CG 4.11Å; L114-Y146 HydrophobicContact CB-CD2 4.31Å; L114-Y146 HydrophobicContact CB-CE2 4.34Å; L114-Y146 HydrophobicContact CD2-CD1 3.94Å; L114-Y146 HydrophobicContact CD2-CD2 3.33Å; L114-Y146 HydrophobicContact CD2-CE2 4.12Å; L114-Y146 HydrophobicContact CD2-CG 3.21Å; L114-Y146 HydrophobicContact CG-CD2 4.46Å; L114-I317 HydrophobicContact CD1-CD1 3.93Å; L114-I317 HydrophobicContact CD2-CD1 3.47Å; L114-I317 VanDerWaalsContact CD2-CD1 3.47Å; L114-I317 HydrophobicContact CG-CD1 4.24Å; L114-S328 PolarHBondContact N-O 2.85Å; L114-S328 VanDerWaalsContact N-O 3.08Å
115	K	89.9	Confident	88.8	Confident	72 Å²	72	35 Å²	35	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-38.7	-178.1	-72.5	-65.3	-168	-170.6	0	111.5	N113 A119 E143 Y146 D147	N113-K115 PolarHBondContact O-N 2.98Å; N113-K115 PolarHBondContact OD1-N 3.23Å; K115-A119 WeakPolarHBondContact O-CB 3.17Å; K115-A119 PolarHBondContact O-N 3.38Å; K115-A119 VanDerWaalsContact O-N 3.09Å; K115-E143 IonicContact NZ-OE1 3.95Å; K115-E143 PolarHBondContact NZ-OE1 2.81Å; K115-Y146 HydrophobicContact CD-CE1 4.3Å; K115-Y146 HydrophobicContact CG-CE1 4.08Å; K115-D147 WeakPolarHBondContact CE-OD1 3.3Å; K115-D147 VanDerWaalsContact NZ-CG 3.28Å; K115-D147 IonicContact NZ-OD1 2.63Å; K115-D147 PolarHBondContact NZ-OD1 3.49Å; K115-D147 IonicContact NZ-OD2 3.96Å; K115-D147 PolarHBondContact NZ-OD2 3.38Å
116	Q	91.2	Very high	87.1	Confident	98 Å²	98	36 Å²	36	46%	0.458	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-42.8	172.9	-71.1	170.3	-23.3	0	0	111.7	L112 N113 L114 A119 L120	L112-Q116 HydrophobicContact CB-CB 4.45Å; L112-Q116 HydrophobicContact CD2-CB 4.14Å; N113-Q116 PolarHBondContact ND2-OE1 3.23Å; N113-Q116 WeakPolarHBondContact O-CB 3.49Å; N113-Q116 PolarHBondContact O-N 3.36Å; N113-Q116 WeakPolarHBondContact OD1-CG 3.47Å; N113-Q116 PolarHBondContact OD1-N 2.95Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.25Å; Q116-A119 PolarHBondContact O-N 2.89Å; Q116-L120 WeakPolarHBondContact O-CB 3.45Å; Q116-L120 PolarHBondContact O-N 3.2Å
117	F	92.3	Very high	85.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-47.4	177.7	178.8	-108.5	0	0	0	112.3	A87 F90 V106 L107 I110 L112 N113 L114 A119 L120 V121	A87-F117 HydrophobicContact CB-CE2 4.43Å; F90-F117 HydrophobicContact CB-CE1 4.45Å; F90-F117 HydrophobicContact CB-CZ 3.66Å; F90-F117 HydrophobicContact CD1-CE1 4.23Å; F90-F117 HydrophobicContact CD1-CZ 4.12Å; F90-F117 HydrophobicContact CD2-CE1 4.07Å; F90-F117 HydrophobicContact CD2-CZ 4.07Å; F90-F117 HydrophobicContact CE2-CE1 4.4Å; F90-F117 AromaticContact CG-CE1 3.98Å; F90-F117 HydrophobicContact CG-CE1 3.98Å; F90-F117 AromaticContact CG-CZ 3.68Å; F90-F117 HydrophobicContact CG-CZ 3.68Å; V106-F117 HydrophobicContact CG1-CE2 3.97Å; V106-F117 HydrophobicContact CG1-CZ 4.09Å; L107-F117 HydrophobicContact CD2-CB 3.44Å; L107-F117 VanDerWaalsContact CD2-CB 3.44Å; L107-F117 HydrophobicContact CD2-CD1 4.02Å; L107-F117 HydrophobicContact CD2-CD2 4.39Å; L107-F117 HydrophobicContact CD2-CG 3.7Å; I110-F117 HydrophobicContact CD1-CD2 3.48Å; I110-F117 VanDerWaalsContact CD1-CD2 3.48Å; I110-F117 HydrophobicContact CD1-CE2 3.75Å; L112-F117 HydrophobicContact CB-CB 4.45Å; N113-F117 PolarHBondContact O-N 3.28Å; L114-F117 WeakPolarHBondContact O-CB 3.49Å; L114-F117 PolarHBondContact O-N 3.39Å; L114-F117 VanDerWaalsContact O-N 3.15Å; F117-A119 VanDerWaalsContact C-N 3.3Å; F117-A119 PolarHBondContact O-N 3.07Å; F117-L120 WeakPolarHBondContact O-CB 3.38Å; F117-L120 PolarHBondContact O-N 3.42Å; F117-L120 VanDerWaalsContact O-N 3.15Å; F117-V121 HydrophobicContact CD1-CG2 4.33Å; F117-V121 HydrophobicContact CD2-CG2 4.25Å; F117-V121 HydrophobicContact CE1-CG2 3.91Å; F117-V121 HydrophobicContact CE2-CG2 3.85Å; F117-V121 HydrophobicContact CG-CG2 4.5Å; F117-V121 HydrophobicContact CZ-CG2 3.67Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 3.11Å
118	L	90.2	Very high	83.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-41.4	176.3	-68.2	172.4	0	0	0	111.7	L114 R122 L139 L142 E143	L114-L118 HydrophobicContact CD1-CG 4.4Å; L114-L118 HydrophobicContact CD2-CD1 4.2Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 HydrophobicContact CG-CG 4.16Å; L114-L118 VanDerWaalsContact O-CG 3.3Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.09Å; L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 VanDerWaalsContact O-CG 3.29Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.49Å; L118-L139 HydrophobicContact CD2-CB 4.33Å; L118-L139 HydrophobicContact CD2-CD2 3.51Å; L118-L142 HydrophobicContact CD2-CD2 4.21Å; L118-E143 HydrophobicContact CD1-CB 3.71Å; L118-E143 HydrophobicContact CD1-CG 3.89Å
119	A	87.3	Confident	81.6	Confident	47 Å²	47	42.9 Å²	42.9	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-42.5	175.6	0	0	0	0	0	111.9	K115 Q116 F117 R122 Q123	K115-A119 WeakPolarHBondContact O-CB 3.17Å; K115-A119 PolarHBondContact O-N 3.38Å; K115-A119 VanDerWaalsContact O-N 3.09Å; Q116-A119 PolarHBondContact O-N 2.89Å; F117-A119 VanDerWaalsContact C-N 3.3Å; F117-A119 PolarHBondContact O-N 3.07Å; A119-R122 PolarHBondContact O-N 2.97Å; A119-Q123 WeakPolarHBondContact O-CG 3.41Å; A119-Q123 PolarHBondContact O-N 3.09Å; A119-Q123 VanDerWaalsContact O-N 3.07Å
120	L	88	Confident	80.3	Confident	14 Å²	14	42.9 Å²	42.9	7%	0.073	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-48.4	176.9	179.3	66.1	0	0	0	111.6	P78 R83 L84 A87 L112 Q116 F117 R122 Q123	P78-L120 HydrophobicContact CB-CD1 4.4Å; P78-L120 HydrophobicContact CG-CD1 4.08Å; R83-L120 HydrophobicContact CB-CD2 3.73Å; R83-L120 WeakPolarHBondContact O-CD2 3.21Å; L84-L120 HydrophobicContact CD2-CD1 3.86Å; A87-L120 HydrophobicContact CB-CD2 4.12Å; A87-L120 HydrophobicContact CB-CG 4.27Å; L112-L120 HydrophobicContact CD1-CD2 3.85Å; Q116-L120 WeakPolarHBondContact O-CB 3.45Å; Q116-L120 PolarHBondContact O-N 3.2Å; F117-L120 WeakPolarHBondContact O-CB 3.38Å; F117-L120 PolarHBondContact O-N 3.42Å; F117-L120 VanDerWaalsContact O-N 3.15Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 3.36Å; L120-Q123 WeakPolarHBondContact O-CB 3.32Å; L120-Q123 PolarHBondContact O-N 3.04Å
121	V	87.9	Confident	79.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-46.2	178.8	-179.3	0	0	0	0	109.6	A87 F90 V91 F117 Q123 L124 I131 L139	A87-V121 HydrophobicContact CB-CG2 3.93Å; F90-V121 HydrophobicContact CD1-CG1 4.45Å; F90-V121 HydrophobicContact CD1-CG2 4.34Å; V91-V121 HydrophobicContact CG2-CG1 4.01Å; F117-V121 HydrophobicContact CD1-CG2 4.33Å; F117-V121 HydrophobicContact CD2-CG2 4.25Å; F117-V121 HydrophobicContact CE1-CG2 3.91Å; F117-V121 HydrophobicContact CE2-CG2 3.85Å; F117-V121 HydrophobicContact CG-CG2 4.5Å; F117-V121 HydrophobicContact CZ-CG2 3.67Å; F117-V121 WeakPolarHBondContact O-CG2 3.35Å; F117-V121 PolarHBondContact O-N 3.11Å; V121-Q123 PolarHBondContact O-N 2.93Å; V121-L124 VanDerWaalsContact O-CB 3.23Å; V121-L124 WeakPolarHBondContact O-CB 3.11Å; V121-L124 WeakPolarHBondContact O-CG 3.46Å; V121-L124 PolarHBondContact O-N 3.35Å; V121-I131 HydrophobicContact CG1-CD1 3.95Å; V121-I131 WeakPolarHBondContact O-CD1 3.37Å; V121-L139 HydrophobicContact CB-CD1 4.29Å; V121-L139 HydrophobicContact CB-CD2 4.05Å; V121-L139 HydrophobicContact CG1-CD1 3.64Å; V121-L139 HydrophobicContact CG1-CD2 3.94Å; V121-L139 HydrophobicContact CG1-CG 4.34Å; V121-L139 HydrophobicContact CG2-CD2 4.43Å
122	R	84	Confident	78.7	Confident	78 Å²	78	40.4 Å²	40.4	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-60.5	-28.3	177.7	-74.8	177.5	177.1	133.8	-0.4	114.2	L118 A119 L120 L124 D125 L139 E143	L118-R122 WeakPolarHBondContact O-CB 3.45Å; L118-R122 VanDerWaalsContact O-CG 3.29Å; L118-R122 WeakPolarHBondContact O-CG 3.49Å; L118-R122 PolarHBondContact O-N 3.49Å; A119-R122 PolarHBondContact O-N 2.97Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 3.36Å; R122-L124 PolarHBondContact O-N 3.41Å; R122-D125 PolarHBondContact O-N 3.46Å; R122-L139 HydrophobicContact CG-CD1 4.39Å; R122-E143 IonicContact CZ-OE2 3.37Å; R122-E143 IonicContact NH1-OE1 3.55Å; R122-E143 IonicContact NH1-OE2 3.3Å; R122-E143 PolarHBondContact NH1-OE2 3.38Å; R122-E143 IonicContact NH2-OE2 3.84Å; R122-E143 PolarHBondContact NH2-OE2 3.15Å
123	Q	79	Confident	77.9	Confident	86 Å²	86	42 Å²	42	40%	0.402	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-26.3	174.5	-75.6	172.9	4.4	0	0	112.8	M74 A119 L120 V121 D125 V126	M74-Q123 HydrophobicContact CE-CB 4.47Å; M74-Q123 WeakPolarHBondContact CE-O 3.31Å; A119-Q123 WeakPolarHBondContact O-CG 3.41Å; A119-Q123 PolarHBondContact O-N 3.09Å; A119-Q123 VanDerWaalsContact O-N 3.07Å; L120-Q123 WeakPolarHBondContact O-CB 3.32Å; L120-Q123 PolarHBondContact O-N 3.04Å; V121-Q123 PolarHBondContact O-N 2.93Å; Q123-D125 PolarHBondContact O-N 3.03Å; Q123-V126 PolarHBondContact O-N 3.22Å
124	L	77.4	Confident	77.5	Confident	2 Å²	2	45 Å²	45	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-29.4	176	-55	179.4	0	0	0	112	V70 L84 A87 V91 V121 R122 V126 I131	V70-L124 HydrophobicContact CG1-CD2 3.8Å; V70-L124 HydrophobicContact CG2-CD2 4.14Å; L84-L124 HydrophobicContact CD2-CD2 3.92Å; A87-L124 HydrophobicContact CB-CD1 3.89Å; V91-L124 HydrophobicContact CG2-CD1 4.23Å; V121-L124 VanDerWaalsContact O-CB 3.23Å; V121-L124 WeakPolarHBondContact O-CB 3.11Å; V121-L124 WeakPolarHBondContact O-CG 3.46Å; V121-L124 PolarHBondContact O-N 3.35Å; R122-L124 PolarHBondContact O-N 3.41Å; L124-V126 PolarHBondContact O-N 3.04Å; L124-I131 HydrophobicContact CB-CD1 4.35Å; L124-I131 HydrophobicContact CB-CG1 4.49Å
125	D	69.1	Low	77.2	Confident	8 Å²	8	45 Å²	45	4%	0.043	23%	0.234	C	C	.	.	H	α-helix	trans	-81.9	-9.1	-178	-162	36.8	0	0	0	114.4	R122 Q123 N127 I131 Q728 K732	R122-D125 PolarHBondContact O-N 3.46Å; Q123-D125 PolarHBondContact O-N 3.03Å; D125-N127 VanDerWaalsContact C-N 3.27Å; D125-N127 PolarHBondContact O-N 3.21Å; D125-I131 HydrophobicContact CB-CB 4.05Å; D125-I131 HydrophobicContact CB-CD1 3.62Å; D125-I131 HydrophobicContact CB-CG1 3.74Å; D125-Q728 VanDerWaalsContact OD2-CD 3.27Å; D125-Q728 PolarHBondContact OD2-NE2 2.66Å; D125-Q728 PolarHBondContact OD2-OE1 3.35Å; D125-K732 IonicContact OD1-NZ 3.71Å; D125-K732 PolarHBondContact OD1-NZ 3.47Å; D125-K732 IonicContact OD2-NZ 2.79Å; D125-K732 PolarHBondContact OD2-NZ 3.14Å
126	V	60.1	Low	76.8	Confident	94 Å²	94	43.2 Å²	43.2	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-69.7	-26.8	-171.1	178.7	0	0	0	0	111.6	Q123 L124	Q123-V126 PolarHBondContact O-N 3.22Å; L124-V126 PolarHBondContact O-N 3.04Å
127	N	53.8	Low	76.4	Confident	83 Å²	83	39.9 Å²	39.9	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-124.3	-17.5	-170.1	-67.9	-31.5	0	0	0	116.6	D125	D125-N127 VanDerWaalsContact C-N 3.27Å; D125-N127 PolarHBondContact O-N 3.21Å
128	L	51.8	Low	76.1	Confident	58 Å²	58	40.4 Å²	40.4	30%	0.304	22%	0.219	S	C	.	.	H	α-helix	trans	-129.8	-0.7	-163.1	-85.9	165.3	0	0	0	115.7	V70 S73 T130	V70-L128 HydrophobicContact CB-CD1 4.45Å; V70-L128 HydrophobicContact CG2-CD1 4.05Å; S73-L128 WeakPolarHBondContact OG-CD1 3.49Å; S73-L128 WeakPolarHBondContact OG-CG 3.46Å; L128-T130 WeakPolarHBondContact CB-OG1 3.45Å; L128-T130 PolarHBondContact O-N 2.97Å
129	D	61.3	Low	76	Confident	106 Å²	106	40.3 Å²	40.3	57%	0.567	22%	0.219	S	C	*	.			trans	49.4	29.3	-169.5	-72.5	-23.7	0	0	0	113	I131 K732	D129-I131 VanDerWaalsContact C-N 3.31Å; D129-I131 PolarHBondContact O-N 2.71Å; D129-K732 WeakPolarHBondContact OD1-CE 3.28Å; D129-K732 IonicContact OD1-NZ 3.72Å; D129-K732 PolarHBondContact OD1-NZ 3.49Å
130	T	64.6	Low	75.8	Confident	25 Å²	25	39.4 Å²	39.4	15%	0.153	21%	0.209	C	C	.	.			trans	-68.7	-28.7	-173	-45.9	0	0	0	0	113.3	L66 L128	L66-T130 HydrophobicContact CD1-CG2 3.15Å; L66-T130 HydrophobicContact CD2-CG2 4.22Å; L66-T130 HydrophobicContact CG-CG2 3.95Å; L128-T130 WeakPolarHBondContact CB-OG1 3.45Å; L128-T130 PolarHBondContact O-N 2.97Å
131	I	72.1	Confident	75.6	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.041	23%	0.231	C	C	.	.	S	Bend	trans	-89.5	115.6	-174.1	-58.3	-168.2	0	0	0	108.5	V121 L124 D125 D129 V135 N136	V121-I131 HydrophobicContact CG1-CD1 3.95Å; V121-I131 WeakPolarHBondContact O-CD1 3.37Å; L124-I131 HydrophobicContact CB-CD1 4.35Å; L124-I131 HydrophobicContact CB-CG1 4.49Å; D125-I131 HydrophobicContact CB-CB 4.05Å; D125-I131 HydrophobicContact CB-CD1 3.62Å; D125-I131 HydrophobicContact CB-CG1 3.74Å; D129-I131 VanDerWaalsContact C-N 3.31Å; D129-I131 PolarHBondContact O-N 2.71Å; I131-V135 HydrophobicContact CG2-CB 3.62Å; I131-V135 HydrophobicContact CG2-CG1 3.59Å; I131-N136 HydrophobicContact CG2-CB 4.23Å
132	S	78.2	Confident	75.7	Confident	38 Å²	38	46.2 Å²	46.2	27%	0.266	23%	0.234	S	C	.	.			trans	-65.4	163.6	172.7	89.6	0	0	0	0	111.7	D95 K134 V135 N136	D95-S132 WeakPolarHBondContact OD1-CB 3.49Å; D95-S132 PolarHBondContact OD1-OG 3.32Å; S132-K134 PolarHBondContact O-N 3.09Å; S132-K134 WeakPolarHBondContact OG-CB 3.46Å; S132-K134 PolarHBondContact OG-N 2.94Å; S132-K134 VanDerWaalsContact OG-N 3.11Å; S132-V135 PolarHBondContact O-N 3.41Å; S132-V135 PolarHBondContact OG-N 3.21Å; S132-N136 PolarHBondContact O-N 2.87Å
133	M	74.1	Confident	75.8	Confident	44 Å²	44	43.9 Å²	43.9	22%	0.217	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-36.8	172.9	-68.8	-48.8	-45.7	0	0	112.9	V135 N136 S137 E729	M133-V135 VanDerWaalsContact C-N 3.32Å; M133-V135 PolarHBondContact O-N 3.46Å; M133-N136 PolarHBondContact O-N 3.1Å; M133-S137 WeakPolarHBondContact O-CB 3.47Å; M133-S137 PolarHBondContact O-N 3.29Å; M133-S137 PolarHBondContact O-OG 2.7Å; M133-E729 HydrophobicContact CE-CG 3.11Å; M133-E729 WeakPolarHBondContact CE-OE1 3.43Å; M133-E729 HydrophobicContact SD-CG 3.63Å
134	K	82.5	Confident	76.1	Confident	82 Å²	82	41.9 Å²	41.9	36%	0.357	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-42.6	179.1	-168.4	-179	179.2	-158	0	111	T94 D97 S132 A138	T94-K134 WeakPolarHBondContact O-CD 3.3Å; T94-K134 WeakPolarHBondContact O-CE 3.27Å; T94-K134 PolarHBondContact O-NZ 3.45Å; D97-K134 IonicContact OD1-NZ 3.85Å; D97-K134 PolarHBondContact OD1-NZ 2.97Å; S132-K134 PolarHBondContact O-N 3.09Å; S132-K134 WeakPolarHBondContact OG-CB 3.46Å; S132-K134 PolarHBondContact OG-N 2.94Å; S132-K134 VanDerWaalsContact OG-N 3.11Å; K134-A138 WeakPolarHBondContact O-CB 3.38Å; K134-A138 PolarHBondContact O-N 3.43Å
135	V	86.1	Confident	76.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-44.4	178.4	178.6	0	0	0	0	111.1	F90 V91 T94 D95 I131 S132 M133 S137 A138 L139	F90-V135 HydrophobicContact CE1-CG1 4.28Å; V91-V135 HydrophobicContact CG1-CG2 4.14Å; V91-V135 HydrophobicContact CG2-CG1 4.21Å; T94-V135 HydrophobicContact CG2-CB 4.33Å; T94-V135 HydrophobicContact CG2-CG2 3.87Å; D95-V135 WeakPolarHBondContact OD1-CG2 3.48Å; I131-V135 HydrophobicContact CG2-CB 3.62Å; I131-V135 HydrophobicContact CG2-CG1 3.59Å; S132-V135 PolarHBondContact O-N 3.41Å; S132-V135 PolarHBondContact OG-N 3.21Å; M133-V135 VanDerWaalsContact C-N 3.32Å; M133-V135 PolarHBondContact O-N 3.46Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 3.33Å; V135-A138 WeakPolarHBondContact O-CB 3.39Å; V135-A138 PolarHBondContact O-N 3.47Å; V135-A138 VanDerWaalsContact O-N 3.16Å; V135-L139 HydrophobicContact CG1-CD1 4.13Å; V135-L139 HydrophobicContact CG1-CG 4.34Å; V135-L139 WeakPolarHBondContact O-CG 3.36Å; V135-L139 PolarHBondContact O-N 2.85Å
136	N	81.9	Confident	77.6	Confident	35 Å²	35	42.7 Å²	42.7	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-39.3	178.8	-169.7	41.8	0	0	0	112.4	I131 S132 M133 L139 T140	I131-N136 HydrophobicContact CG2-CB 4.23Å; S132-N136 PolarHBondContact O-N 2.87Å; M133-N136 PolarHBondContact O-N 3.1Å; N136-L139 PolarHBondContact O-N 3.15Å; N136-T140 WeakPolarHBondContact O-CB 3.3Å; N136-T140 PolarHBondContact O-N 3.01Å; N136-T140 PolarHBondContact O-OG1 3.48Å
137	S	81.8	Confident	78.8	Confident	28 Å²	28	41.5 Å²	41.5	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-40	173.7	-68.9	0	0	0	0	111.8	M133 V135 T140 R141 Q496	M133-S137 WeakPolarHBondContact O-CB 3.47Å; M133-S137 PolarHBondContact O-N 3.29Å; M133-S137 PolarHBondContact O-OG 2.7Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 3.33Å; S137-T140 PolarHBondContact O-N 3.24Å; S137-R141 WeakPolarHBondContact O-CB 3.4Å; S137-R141 PolarHBondContact O-N 3.06Å; S137-Q496 PolarHBondContact OG-OE1 3.12Å
138	A	86.9	Confident	80.5	Confident	11 Å²	11	37.9 Å²	37.9	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-44.3	173.7	0	0	0	0	0	112.4	T94 K134 V135 T140 R141 L142	T94-A138 HydrophobicContact CG2-CB 3.67Å; K134-A138 WeakPolarHBondContact O-CB 3.38Å; K134-A138 PolarHBondContact O-N 3.43Å; V135-A138 WeakPolarHBondContact O-CB 3.39Å; V135-A138 PolarHBondContact O-N 3.47Å; V135-A138 VanDerWaalsContact O-N 3.16Å; A138-T140 PolarHBondContact O-N 2.87Å; A138-R141 PolarHBondContact O-N 3.46Å; A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 PolarHBondContact O-N 3.36Å
139	L	87.4	Confident	82.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-45.1	176.3	-71.4	169	0	0	0	111.9	F90 L118 V121 R122 V135 N136 L142 E143	F90-L139 HydrophobicContact CD1-CD2 4.47Å; F90-L139 HydrophobicContact CE1-CD2 3.62Å; F90-L139 HydrophobicContact CE1-CG 4.13Å; F90-L139 HydrophobicContact CZ-CD2 4.16Å; L118-L139 HydrophobicContact CD2-CB 4.33Å; L118-L139 HydrophobicContact CD2-CD2 3.51Å; V121-L139 HydrophobicContact CB-CD1 4.29Å; V121-L139 HydrophobicContact CB-CD2 4.05Å; V121-L139 HydrophobicContact CG1-CD1 3.64Å; V121-L139 HydrophobicContact CG1-CD2 3.94Å; V121-L139 HydrophobicContact CG1-CG 4.34Å; V121-L139 HydrophobicContact CG2-CD2 4.43Å; R122-L139 HydrophobicContact CG-CD1 4.39Å; V135-L139 HydrophobicContact CG1-CD1 4.13Å; V135-L139 HydrophobicContact CG1-CG 4.34Å; V135-L139 WeakPolarHBondContact O-CG 3.36Å; V135-L139 PolarHBondContact O-N 2.85Å; N136-L139 PolarHBondContact O-N 3.15Å; L139-L142 PolarHBondContact O-N 3.38Å; L139-E143 WeakPolarHBondContact O-CB 3.46Å; L139-E143 PolarHBondContact O-N 3.48Å
140	T	82.9	Confident	83.7	Confident	28 Å²	28	32.3 Å²	32.3	17%	0.172	16%	0.161	C	C	.	.	H	α-helix	trans	-65.4	-44	179.8	-57.6	0	0	0	0	111.3	N136 S137 A138 E143 K144	N136-T140 WeakPolarHBondContact O-CB 3.3Å; N136-T140 PolarHBondContact O-N 3.01Å; N136-T140 PolarHBondContact O-OG1 3.48Å; S137-T140 PolarHBondContact O-N 3.24Å; A138-T140 PolarHBondContact O-N 2.87Å; T140-E143 PolarHBondContact O-N 3.13Å; T140-K144 WeakPolarHBondContact O-CG 3.45Å; T140-K144 PolarHBondContact O-N 3.4Å
141	R	85.1	Confident	84.9	Confident	145 Å²	145	31.5 Å²	31.5	55%	0.547	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-45.7	175.4	-177.3	174.6	62.7	-108.6	0.7	111.7	S137 A138 E143 K144 K145	S137-R141 WeakPolarHBondContact O-CB 3.4Å; S137-R141 PolarHBondContact O-N 3.06Å; A138-R141 PolarHBondContact O-N 3.46Å; R141-E143 VanDerWaalsContact C-N 3.35Å; R141-E143 PolarHBondContact O-N 3.43Å; R141-K144 PolarHBondContact O-N 2.94Å; R141-K145 WeakPolarHBondContact O-CB 3.41Å; R141-K145 PolarHBondContact O-N 2.93Å
142	L	88.6	Confident	85.9	Confident	11 Å²	11	31.2 Å²	31.2	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-42.6	178.3	-177.7	60	0	0	0	111.9	F90 V103 L114 L118 A138 L139 K145 Y146 D316 I317	F90-L142 HydrophobicContact CZ-CD2 4.48Å; V103-L142 HydrophobicContact CG1-CD1 4.34Å; V103-L142 HydrophobicContact CG1-CD2 3.96Å; V103-L142 HydrophobicContact CG2-CD1 4.08Å; V103-L142 HydrophobicContact CG2-CD2 3.95Å; L114-L142 HydrophobicContact CD1-CD2 3.91Å; L114-L142 HydrophobicContact CD1-CG 4.11Å; L118-L142 HydrophobicContact CD2-CD2 4.21Å; A138-L142 VanDerWaalsContact O-CB 3.23Å; A138-L142 WeakPolarHBondContact O-CB 3.47Å; A138-L142 PolarHBondContact O-N 3.36Å; L139-L142 PolarHBondContact O-N 3.38Å; L142-K145 PolarHBondContact O-N 3.16Å; L142-Y146 WeakPolarHBondContact O-CB 3.36Å; L142-Y146 PolarHBondContact O-N 3.45Å; L142-D316 WeakPolarHBondContact CD1-OD1 3.13Å; L142-I317 HydrophobicContact CD1-CD1 3.71Å; L142-I317 HydrophobicContact CD1-CG1 4.05Å
143	E	87.7	Confident	86.7	Confident	29 Å²	29	30.3 Å²	30.3	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-47.4	176.8	-173.8	164.8	-152.8	0	0	112.3	K115 L118 R122 L139 T140 R141 K145 Y146 D147	K115-E143 IonicContact NZ-OE1 3.95Å; K115-E143 PolarHBondContact NZ-OE1 2.81Å; L118-E143 HydrophobicContact CD1-CB 3.71Å; L118-E143 HydrophobicContact CD1-CG 3.89Å; R122-E143 IonicContact CZ-OE2 3.37Å; R122-E143 IonicContact NH1-OE1 3.55Å; R122-E143 IonicContact NH1-OE2 3.3Å; R122-E143 PolarHBondContact NH1-OE2 3.38Å; R122-E143 IonicContact NH2-OE2 3.84Å; R122-E143 PolarHBondContact NH2-OE2 3.15Å; L139-E143 WeakPolarHBondContact O-CB 3.46Å; L139-E143 PolarHBondContact O-N 3.48Å; T140-E143 PolarHBondContact O-N 3.13Å; R141-E143 VanDerWaalsContact C-N 3.35Å; R141-E143 PolarHBondContact O-N 3.43Å; E143-K145 PolarHBondContact O-N 3.03Å; E143-Y146 PolarHBondContact O-N 3.25Å; E143-D147 PolarHBondContact O-N 3.48Å
144	K	84.7	Confident	87.5	Confident	45 Å²	45	32.7 Å²	32.7	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-46.7	177	-72.7	-170.6	-178	-168.2	0	111.6	T140 R141 Y146 D147 V148 D195 S488 N500	T140-K144 WeakPolarHBondContact O-CG 3.45Å; T140-K144 PolarHBondContact O-N 3.4Å; R141-K144 PolarHBondContact O-N 2.94Å; K144-Y146 VanDerWaalsContact C-N 3.31Å; K144-Y146 PolarHBondContact O-N 3.05Å; K144-D147 PolarHBondContact O-N 2.68Å; K144-V148 WeakPolarHBondContact O-CG2 3.48Å; K144-V148 PolarHBondContact O-N 3.46Å; K144-D195 HydrophobicContact CB-CB 4.12Å; K144-D195 VanDerWaalsContact CD-OD2 3.29Å; K144-D195 WeakPolarHBondContact CD-OD2 3.1Å; K144-D195 IonicContact NZ-OD2 3.88Å; K144-S488 PolarHBondContact NZ-OG 3.34Å; K144-N500 PolarHBondContact NZ-OD1 3.22Å
145	K	87.4	Confident	87.8	Confident	20 Å²	20	30.1 Å²	30.1	9%	0.087	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-43.9	179.1	-172.4	175.9	-172.8	160.1	0	111.7	R141 L142 E143 M149 E194 D316	R141-K145 WeakPolarHBondContact O-CB 3.41Å; R141-K145 PolarHBondContact O-N 2.93Å; L142-K145 PolarHBondContact O-N 3.16Å; E143-K145 PolarHBondContact O-N 3.03Å; K145-M149 WeakPolarHBondContact O-CB 3.48Å; K145-M149 PolarHBondContact O-N 3.45Å; K145-E194 HydrophobicContact CD-CB 4.46Å; K145-E194 IonicContact NZ-OE1 3.62Å; K145-E194 PolarHBondContact NZ-OE1 3.19Å; K145-E194 VanDerWaalsContact NZ-OE1 3.08Å; K145-E194 IonicContact NZ-OE2 2.7Å; K145-E194 PolarHBondContact NZ-OE2 3.08Å; K145-D316 WeakPolarHBondContact CD-OD2 3.16Å; K145-D316 WeakPolarHBondContact CE-OD2 3.33Å; K145-D316 IonicContact NZ-OD2 2.78Å; K145-D316 PolarHBondContact NZ-OD2 2.93Å
146	Y	89.5	Confident	88.2	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-47.8	175.1	169.2	-94	0	0	0	112.7	L114 K115 L142 E143 K144 V148 M149 L150 I317 F322 V329	L114-Y146 HydrophobicContact CB-CD2 4.31Å; L114-Y146 HydrophobicContact CB-CE2 4.34Å; L114-Y146 HydrophobicContact CD2-CD1 3.94Å; L114-Y146 HydrophobicContact CD2-CD2 3.33Å; L114-Y146 HydrophobicContact CD2-CE2 4.12Å; L114-Y146 HydrophobicContact CD2-CG 3.21Å; L114-Y146 HydrophobicContact CG-CD2 4.46Å; K115-Y146 HydrophobicContact CD-CE1 4.3Å; K115-Y146 HydrophobicContact CG-CE1 4.08Å; L142-Y146 WeakPolarHBondContact O-CB 3.36Å; L142-Y146 PolarHBondContact O-N 3.45Å; E143-Y146 PolarHBondContact O-N 3.25Å; K144-Y146 VanDerWaalsContact C-N 3.31Å; K144-Y146 PolarHBondContact O-N 3.05Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 2.81Å; Y146-M149 PolarHBondContact O-N 3.26Å; Y146-L150 HydrophobicContact CE1-CD2 4.01Å; Y146-L150 VanDerWaalsContact O-CB 3.31Å; Y146-L150 WeakPolarHBondContact O-CB 3.29Å; Y146-L150 PolarHBondContact O-N 3.19Å; Y146-I317 HydrophobicContact CD2-CD1 4.28Å; Y146-F322 HydrophobicContact CD2-CE1 4.5Å; Y146-F322 AromaticContact CD2-CZ 3.81Å; Y146-F322 HydrophobicContact CD2-CZ 3.81Å; Y146-F322 HydrophobicContact CE2-CE1 4.12Å; Y146-F322 AromaticContact CE2-CZ 3.82Å; Y146-F322 HydrophobicContact CE2-CZ 3.82Å; Y146-V329 VanDerWaalsContact CE2-O 3.22Å; Y146-V329 WeakPolarHBondContact CE2-O 3.49Å; Y146-V329 PolarHBondContact OH-O 3.16Å
147	D	86.7	Confident	88.7	Confident	68 Å²	68	31.9 Å²	31.9	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-62.7	-37.8	-178	-73.1	-25.3	0	0	0	111.4	K115 E143 K144 A151	K115-D147 WeakPolarHBondContact CE-OD1 3.3Å; K115-D147 VanDerWaalsContact NZ-CG 3.28Å; K115-D147 IonicContact NZ-OD1 2.63Å; K115-D147 PolarHBondContact NZ-OD1 3.49Å; K115-D147 IonicContact NZ-OD2 3.96Å; K115-D147 PolarHBondContact NZ-OD2 3.38Å; E143-D147 PolarHBondContact O-N 3.48Å; K144-D147 PolarHBondContact O-N 2.68Å; D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 3.21Å
148	V	88.3	Confident	89.1	Confident	8 Å²	8	35.6 Å²	35.6	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-48	173.9	170.9	0	0	0	0	111.3	K144 Y146 L150 A151 L152 D195 L197	K144-V148 WeakPolarHBondContact O-CG2 3.48Å; K144-V148 PolarHBondContact O-N 3.46Å; Y146-V148 VanDerWaalsContact C-N 3.28Å; Y146-V148 PolarHBondContact O-N 2.81Å; V148-L150 VanDerWaalsContact C-N 3.34Å; V148-L150 PolarHBondContact O-N 2.98Å; V148-A151 PolarHBondContact O-N 3.18Å; V148-L152 HydrophobicContact CG1-CD1 3.67Å; V148-L152 HydrophobicContact CG1-CG 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.46Å; V148-L152 WeakPolarHBondContact O-CD1 3.42Å; V148-L152 VanDerWaalsContact O-CG 3.28Å; V148-L152 WeakPolarHBondContact O-CG 3.34Å; V148-L152 PolarHBondContact O-N 2.95Å; V148-D195 HydrophobicContact CG2-CB 4.3Å; V148-D195 WeakPolarHBondContact CG2-O 3.38Å; V148-L197 HydrophobicContact CG1-CD1 4.07Å
149	M	90.4	Very high	89.4	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.089	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-41.6	179.3	-166.2	177.7	-54.8	0	0	112	K145 Y146 L152 Y153 W180 L184 G319 F322	K145-M149 WeakPolarHBondContact O-CB 3.48Å; K145-M149 PolarHBondContact O-N 3.45Å; Y146-M149 PolarHBondContact O-N 3.26Å; M149-L152 PolarHBondContact O-N 2.95Å; M149-Y153 WeakPolarHBondContact O-CB 3.48Å; M149-Y153 PolarHBondContact O-N 3.11Å; M149-W180 HydrophobicContact CG-CZ2 4.33Å; M149-L184 HydrophobicContact SD-CD2 4.4Å; M149-G319 WeakPolarHBondContact SD-CA 3.29Å; M149-F322 HydrophobicContact CB-CE2 4.35Å; M149-F322 HydrophobicContact CB-CZ 4.24Å; M149-F322 HydrophobicContact CG-CD2 4.15Å; M149-F322 HydrophobicContact CG-CE2 3.77Å; M149-F322 HydrophobicContact CG-CZ 4.12Å; M149-F322 HydrophobicContact SD-CD2 3.79Å; M149-F322 HydrophobicContact SD-CE2 3.32Å; M149-F322 WeakPolarHBondContact SD-CE2 3.43Å; M149-F322 HydrophobicContact SD-CZ 4.14Å
150	L	90.5	Very high	89.6	Confident	29 Å²	29	35.3 Å²	35.3	15%	0.152	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-46.1	175.1	178.7	61.9	0	0	0	111.4	Y146 V148 Y153 Q154 F322 L330	Y146-L150 HydrophobicContact CE1-CD2 4.01Å; Y146-L150 VanDerWaalsContact O-CB 3.31Å; Y146-L150 WeakPolarHBondContact O-CB 3.29Å; Y146-L150 PolarHBondContact O-N 3.19Å; V148-L150 VanDerWaalsContact C-N 3.34Å; V148-L150 PolarHBondContact O-N 2.98Å; L150-Y153 PolarHBondContact O-N 3.35Å; L150-Q154 HydrophobicContact CD1-CG 4.18Å; L150-Q154 WeakPolarHBondContact O-CB 3.28Å; L150-Q154 VanDerWaalsContact O-CG 3.25Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 3.12Å; L150-F322 HydrophobicContact CB-CE1 3.9Å; L150-F322 HydrophobicContact CD1-CD1 4.2Å; L150-F322 HydrophobicContact CD1-CE1 3.87Å; L150-F322 HydrophobicContact CG-CE1 4.49Å; L150-L330 HydrophobicContact CD1-CD2 3.53Å
151	A	89.9	Confident	89.9	Confident	8 Å²	8	39.8 Å²	39.8	7%	0.066	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-42.8	178.3	0	0	0	0	0	112.1	D147 V148 R155 L197 P360 I361	D147-A151 WeakPolarHBondContact O-CB 3.36Å; D147-A151 PolarHBondContact O-N 3.21Å; V148-A151 PolarHBondContact O-N 3.18Å; A151-R155 WeakPolarHBondContact O-CB 3.46Å; A151-R155 PolarHBondContact O-N 3.41Å; A151-L197 HydrophobicContact CB-CD1 4.16Å; A151-P360 HydrophobicContact CB-CB 4.31Å; A151-P360 HydrophobicContact CB-CG 4.24Å; A151-I361 WeakPolarHBondContact O-CD1 3.49Å
152	L	92.9	Very high	90.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-45.5	176.1	-71.7	162.7	0	0	0	111.4	V148 M149 R155 F156 W180 F183 L197 F201 I361	V148-L152 HydrophobicContact CG1-CD1 3.67Å; V148-L152 HydrophobicContact CG1-CG 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.46Å; V148-L152 WeakPolarHBondContact O-CD1 3.42Å; V148-L152 VanDerWaalsContact O-CG 3.28Å; V148-L152 WeakPolarHBondContact O-CG 3.34Å; V148-L152 PolarHBondContact O-N 2.95Å; M149-L152 PolarHBondContact O-N 2.95Å; L152-R155 PolarHBondContact O-N 3.13Å; L152-F156 WeakPolarHBondContact O-CB 3.1Å; L152-F156 PolarHBondContact O-N 3.29Å; L152-W180 HydrophobicContact CB-CH2 4.2Å; L152-W180 HydrophobicContact CB-CZ3 4.5Å; L152-F183 HydrophobicContact CD1-CE1 4.42Å; L152-F183 HydrophobicContact CD1-CZ 4.03Å; L152-F183 HydrophobicContact CD2-CZ 4.41Å; L152-L197 HydrophobicContact CD2-CD1 4.28Å; L152-L197 HydrophobicContact CG-CD1 4.08Å; L152-F201 HydrophobicContact CD2-CB 3.88Å; L152-F201 HydrophobicContact CD2-CD2 4.3Å; L152-I361 HydrophobicContact CD2-CD1 4.07Å
153	Y	94.4	Very high	90.2	Very high	20 Å²	20	36.2 Å²	36.2	8%	0.078	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-46.2	178.7	176.6	-106.1	0	0	0	112.4	M149 L150 R155 F156 E157 W180 F322 F323	M149-Y153 WeakPolarHBondContact O-CB 3.48Å; M149-Y153 PolarHBondContact O-N 3.11Å; L150-Y153 PolarHBondContact O-N 3.35Å; Y153-R155 PolarHBondContact O-N 3.4Å; Y153-F156 HydrophobicContact CD2-CD1 4.26Å; Y153-F156 HydrophobicContact CE2-CD1 4.31Å; Y153-F156 WeakPolarHBondContact O-CB 3.42Å; Y153-F156 PolarHBondContact O-N 3.34Å; Y153-E157 PolarHBondContact O-N 3.09Å; Y153-W180 HydrophobicContact CD2-CD2 4.13Å; Y153-W180 AromaticContact CD2-CE2 3.85Å; Y153-W180 HydrophobicContact CD2-CE3 4.45Å; Y153-W180 HydrophobicContact CD2-CH2 4.33Å; Y153-W180 AromaticContact CD2-CZ2 3.97Å; Y153-W180 HydrophobicContact CD2-CZ2 3.97Å; Y153-W180 HydrophobicContact CG-CZ2 4.31Å; Y153-F322 HydrophobicContact CD1-CB 3.82Å; Y153-F322 HydrophobicContact CD1-CD1 4.14Å; Y153-F322 HydrophobicContact CD1-CG 4.45Å; Y153-F322 HydrophobicContact CD2-CB 3.85Å; Y153-F322 HydrophobicContact CE1-CB 4.17Å; Y153-F322 WeakPolarHBondContact CE1-O 3.45Å; Y153-F322 HydrophobicContact CE2-CB 4.23Å; Y153-F322 HydrophobicContact CG-CB 3.64Å; Y153-F322 HydrophobicContact CG-CD1 4.3Å; Y153-F322 HydrophobicContact CG-CG 4.32Å; Y153-F322 VanDerWaalsContact CZ-C 3.49Å; Y153-F322 PolarHBondContact OH-O 3.38Å; Y153-F322 VanDerWaalsContact OH-O 3.07Å; Y153-F323 HydrophobicContact CE2-CB 4.09Å; Y153-F323 HydrophobicContact CE2-CD2 4.08Å; Y153-F323 WeakPolarHBondContact OH-CA 3.41Å
154	Q	91	Very high	90.3	Very high	94 Å²	94	35.1 Å²	35.1	44%	0.439	17%	0.165	S	C	.	.	H	α-helix	trans	-58.5	-38.7	176.1	-74.9	175.2	-8.7	0	0	111.7	L150 K158	L150-Q154 HydrophobicContact CD1-CG 4.18Å; L150-Q154 WeakPolarHBondContact O-CB 3.28Å; L150-Q154 VanDerWaalsContact O-CG 3.25Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 3.12Å; Q154-K158 WeakPolarHBondContact O-CB 3.3Å; Q154-K158 PolarHBondContact O-N 2.76Å
155	R	90.4	Very high	90.3	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.106	17%	0.169	C	C	.	.	H	α-helix	trans	-71.8	-42.5	176.3	-174.2	64.6	-172.6	-160.4	7.1	111.8	A151 L152 Y153 K158 T159 F201 N267 I361	A151-R155 WeakPolarHBondContact O-CB 3.46Å; A151-R155 PolarHBondContact O-N 3.41Å; L152-R155 PolarHBondContact O-N 3.13Å; Y153-R155 PolarHBondContact O-N 3.4Å; R155-K158 PolarHBondContact O-N 2.7Å; R155-T159 WeakPolarHBondContact O-CB 3.22Å; R155-T159 PolarHBondContact O-N 3.49Å; R155-T159 PolarHBondContact O-OG1 3.12Å; R155-T159 VanDerWaalsContact O-OG1 3.08Å; R155-F201 HydrophobicContact CB-CE2 4.31Å; R155-F201 HydrophobicContact CG-CD2 4.13Å; R155-F201 HydrophobicContact CG-CE2 3.34Å; R155-F201 HydrophobicContact CG-CZ 3.78Å; R155-N267 PolarHBondContact NE-OD1 3.38Å; R155-N267 PolarHBondContact NH2-OD1 3.17Å; R155-I361 HydrophobicContact CB-CD1 3.57Å; R155-I361 HydrophobicContact CG-CD1 3.93Å
156	F	94.7	Very high	90	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-53.9	-53.5	173.4	171.5	-105.4	0	0	0	111.2	L152 Y153 K158 T159 C160 M176 C179 W180 L204 L208 F323	L152-F156 WeakPolarHBondContact O-CB 3.1Å; L152-F156 PolarHBondContact O-N 3.29Å; Y153-F156 HydrophobicContact CD2-CD1 4.26Å; Y153-F156 HydrophobicContact CE2-CD1 4.31Å; Y153-F156 WeakPolarHBondContact O-CB 3.42Å; Y153-F156 PolarHBondContact O-N 3.34Å; F156-K158 VanDerWaalsContact C-N 3.29Å; F156-K158 PolarHBondContact O-N 2.73Å; F156-T159 PolarHBondContact O-N 2.78Å; F156-T159 VanDerWaalsContact O-N 3.16Å; F156-C160 WeakPolarHBondContact CE2-SG 3.19Å; F156-C160 WeakPolarHBondContact CZ-SG 3.48Å; F156-C160 WeakPolarHBondContact O-CB 3.26Å; F156-C160 PolarHBondContact O-N 3.26Å; F156-C160 PolarHBondContact O-SG 2.9Å; F156-C160 VanDerWaalsContact O-SG 3.4Å; F156-M176 HydrophobicContact CE1-CB 4.42Å; F156-M176 HydrophobicContact CZ-CB 4.12Å; F156-M176 VanDerWaalsContact CZ-O 3.28Å; F156-M176 WeakPolarHBondContact CZ-O 3.47Å; F156-C179 HydrophobicContact CE2-CB 4.38Å; F156-C179 HydrophobicContact CZ-CB 4.4Å; F156-W180 HydrophobicContact CB-CE3 4.1Å; F156-W180 HydrophobicContact CB-CZ3 4.06Å; F156-W180 HydrophobicContact CD1-CB 4.42Å; F156-W180 HydrophobicContact CD1-CD2 4.34Å; F156-W180 AromaticContact CD1-CE3 3.89Å; F156-W180 HydrophobicContact CD1-CE3 3.89Å; F156-W180 HydrophobicContact CD2-CE3 4.29Å; F156-W180 HydrophobicContact CE1-CB 3.83Å; F156-W180 HydrophobicContact CE1-CE3 4.42Å; F156-W180 HydrophobicContact CE1-CG 4.39Å; F156-W180 AromaticContact CG-CE3 3.82Å; F156-W180 HydrophobicContact CG-CE3 3.82Å; F156-W180 HydrophobicContact CG-CZ3 4.29Å; F156-W180 HydrophobicContact CZ-CB 3.94Å; F156-L204 HydrophobicContact CB-CD2 3.94Å; F156-L204 HydrophobicContact CD2-CD1 3.81Å; F156-L204 HydrophobicContact CD2-CD2 4.43Å; F156-L204 HydrophobicContact CE2-CD1 4.49Å; F156-L208 HydrophobicContact CD2-CD2 4.24Å; F156-L208 HydrophobicContact CE2-CD2 3.9Å; F156-F323 HydrophobicContact CE1-CD2 4.19Å; F156-F323 HydrophobicContact CE1-CE2 4.17Å
157	E	91.8	Very high	89.3	Confident	70 Å²	70	43.1 Å²	43.1	33%	0.327	21%	0.214	S	C	.	.	H	α-helix	trans	-58	-43.1	-179.7	-165.6	-159.9	176.8	0	0	111.3	Y153 K161	Y153-E157 PolarHBondContact O-N 3.09Å; E157-K161 WeakPolarHBondContact O-CG 3.35Å; E157-K161 PolarHBondContact O-N 3.08Å; E157-K161 WeakPolarHBondContact OE1-CE 3.22Å; E157-K161 IonicContact OE1-NZ 2.64Å; E157-K161 PolarHBondContact OE1-NZ 3.33Å; E157-K161 IonicContact OE2-NZ 2.76Å
158	K	90.8	Very high	88.5	Confident	106 Å²	106	46.5 Å²	46.5	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-65.4	-44.9	177.3	-175.8	175.6	-179.8	175.1	0	112.3	Q154 R155 F156 K161 N162	Q154-K158 WeakPolarHBondContact O-CB 3.3Å; Q154-K158 PolarHBondContact O-N 2.76Å; R155-K158 PolarHBondContact O-N 2.7Å; F156-K158 VanDerWaalsContact C-N 3.29Å; F156-K158 PolarHBondContact O-N 2.73Å; K158-K161 PolarHBondContact O-N 2.92Å; K158-N162 PolarHBondContact O-N 3.35Å
159	T	91.4	Very high	87.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-41.5	179.9	-65.1	0	0	0	0	110.6	R155 F156 K161 N162 I163 L208 N267	R155-T159 WeakPolarHBondContact O-CB 3.22Å; R155-T159 PolarHBondContact O-N 3.49Å; R155-T159 PolarHBondContact O-OG1 3.12Å; R155-T159 VanDerWaalsContact O-OG1 3.08Å; F156-T159 PolarHBondContact O-N 2.78Å; F156-T159 VanDerWaalsContact O-N 3.16Å; T159-K161 VanDerWaalsContact C-N 3.33Å; T159-K161 PolarHBondContact O-N 3.18Å; T159-N162 WeakPolarHBondContact O-CB 3.46Å; T159-N162 PolarHBondContact O-N 2.98Å; T159-I163 HydrophobicContact CG2-CD1 3.51Å; T159-I163 HydrophobicContact CG2-CG1 4.45Å; T159-I163 WeakPolarHBondContact O-CD1 3.35Å; T159-I163 WeakPolarHBondContact O-CG1 3.31Å; T159-I163 PolarHBondContact O-N 2.94Å; T159-L208 HydrophobicContact CG2-CD1 3.85Å; T159-N267 PolarHBondContact OG1-OD1 3.37Å
160	C	91.9	Very high	87.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-37	174.8	-74.1	0	0	0	0	113.3	F156 N162 I163 F164 M176	F156-C160 WeakPolarHBondContact CE2-SG 3.19Å; F156-C160 WeakPolarHBondContact CZ-SG 3.48Å; F156-C160 WeakPolarHBondContact O-CB 3.26Å; F156-C160 PolarHBondContact O-N 3.26Å; F156-C160 PolarHBondContact O-SG 2.9Å; F156-C160 VanDerWaalsContact O-SG 3.4Å; C160-N162 PolarHBondContact O-N 2.78Å; C160-I163 PolarHBondContact O-N 2.64Å; C160-I163 VanDerWaalsContact O-N 3.08Å; C160-F164 HydrophobicContact CB-CD2 4Å; C160-F164 HydrophobicContact CB-CE2 4.37Å; C160-F164 PolarHBondContact O-N 2.8Å; C160-M176 HydrophobicContact CB-CE 4.16Å; C160-M176 HydrophobicContact CB-CG 4.16Å; C160-M176 HydrophobicContact CB-SD 4Å
161	K	89.6	Confident	86.7	Confident	123 Å²	123	54.8 Å²	54.8	54%	0.535	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-28	174.1	-74.3	168.1	-175.3	165	0	113.2	E157 K158 T159	E157-K161 WeakPolarHBondContact O-CG 3.35Å; E157-K161 PolarHBondContact O-N 3.08Å; E157-K161 WeakPolarHBondContact OE1-CE 3.22Å; E157-K161 IonicContact OE1-NZ 2.64Å; E157-K161 PolarHBondContact OE1-NZ 3.33Å; E157-K161 IonicContact OE2-NZ 2.76Å; K158-K161 PolarHBondContact O-N 2.92Å; T159-K161 VanDerWaalsContact C-N 3.33Å; T159-K161 PolarHBondContact O-N 3.18Å
162	N	88.9	Confident	86.4	Confident	81 Å²	81	55 Å²	55	43%	0.433	29%	0.29	S	S	.	.	H	α-helix	trans	-86.4	-16.2	176	-67.2	-5.6	0	0	0	113.1	K158 T159 C160 Q221 Y224	K158-N162 PolarHBondContact O-N 3.35Å; T159-N162 WeakPolarHBondContact O-CB 3.46Å; T159-N162 PolarHBondContact O-N 2.98Å; C160-N162 PolarHBondContact O-N 2.78Å; N162-Q221 WeakPolarHBondContact O-CB 3.26Å; N162-Q221 WeakPolarHBondContact O-CG 3.33Å; N162-Y224 WeakPolarHBondContact O-CE2 3.34Å
163	I	90.4	Very high	86.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-98.7	-49.1	-175.7	-70.2	160.8	0	0	0	111.4	T159 C160 L208 I212 L220 Q221 Y224 L263	T159-I163 HydrophobicContact CG2-CD1 3.51Å; T159-I163 HydrophobicContact CG2-CG1 4.45Å; T159-I163 WeakPolarHBondContact O-CD1 3.35Å; T159-I163 WeakPolarHBondContact O-CG1 3.31Å; T159-I163 PolarHBondContact O-N 2.94Å; C160-I163 PolarHBondContact O-N 2.64Å; C160-I163 VanDerWaalsContact O-N 3.08Å; I163-L208 HydrophobicContact CD1-CD1 4.49Å; I163-L208 HydrophobicContact CD1-CD2 4.29Å; I163-I212 HydrophobicContact CD1-CD1 3.78Å; I163-I212 HydrophobicContact CG1-CD1 4.18Å; I163-I212 HydrophobicContact CG2-CD1 3.74Å; I163-I212 HydrophobicContact CG2-CG1 3.64Å; I163-L220 HydrophobicContact CG2-CD2 3.93Å; I163-L220 CarbonylContact O-C 3.52Å; I163-L220 WeakPolarHBondContact O-CA 3.45Å; I163-Q221 PolarHBondContact O-N 3.5Å; I163-Y224 HydrophobicContact CB-CD2 4.17Å; I163-Y224 HydrophobicContact CB-CE2 4.17Å; I163-Y224 HydrophobicContact CG1-CD1 4.36Å; I163-Y224 HydrophobicContact CG1-CD2 3.81Å; I163-Y224 HydrophobicContact CG1-CE1 4Å; I163-Y224 HydrophobicContact CG1-CE2 3.39Å; I163-Y224 HydrophobicContact CG1-CG 4.27Å; I163-Y224 VanDerWaalsContact CG1-CZ 3.5Å; I163-Y224 HydrophobicContact CG2-CD2 4.45Å; I163-Y224 HydrophobicContact CG2-CG 4.48Å; I163-L263 HydrophobicContact CD1-CD2 4.05Å
164	F	89.8	Confident	85.7	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.022	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-99.8	144.9	-170.7	-62.3	-73.1	0	0	0	111.4	C160 E172 M176 I212 Q219 L220	C160-F164 HydrophobicContact CB-CD2 4Å; C160-F164 HydrophobicContact CB-CE2 4.37Å; C160-F164 PolarHBondContact O-N 2.8Å; F164-E172 HydrophobicContact CB-CB 4.46Å; F164-M176 HydrophobicContact CB-CE 3.49Å; F164-M176 VanDerWaalsContact CB-CE 3.49Å; F164-M176 HydrophobicContact CD2-CE 3.59Å; F164-M176 HydrophobicContact CD2-CG 3.99Å; F164-M176 HydrophobicContact CE2-CG 4.13Å; F164-M176 HydrophobicContact CG-CE 3.78Å; F164-I212 HydrophobicContact CZ-CG1 4.43Å; F164-Q219 WeakPolarHBondContact CA-O 3.33Å; F164-L220 HydrophobicContact CD1-CD2 3.93Å; F164-L220 HydrophobicContact CE1-CD2 3.87Å
165	V	86.3	Confident	85.6	Confident	47 Å²	47	62 Å²	62	29%	0.285	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-85.2	133.1	169.8	179.9	0	0	0	0	108.2	T167 Q219 L220 Q221	V165-T167 PolarHBondContact O-N 3.39Å; V165-Q219 PolarHBondContact N-O 2.96Å; V165-L220 WeakPolarHBondContact CG2-O 3.21Å; V165-Q221 HydrophobicContact CG2-CG 4.33Å
166	L	80.7	Confident	85.7	Confident	151 Å²	151	62 Å²	62	79%	0.791	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-69	118.2	173.5	-78.4	147.9	0	0	0	109.1	E172	L166-E172 WeakPolarHBondContact CA-OE1 3.35Å
167	T	74.9	Confident	85.6	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.258	34%	0.337	S	S	.	.			trans	-111.1	147.8	179.4	55.5	0	0	0	0	109.8	V165 D169 G170 E172	V165-T167 PolarHBondContact O-N 3.39Å; T167-D169 VanDerWaalsContact CB-OD1 3.26Å; T167-D169 WeakPolarHBondContact CB-OD1 3.49Å; T167-D169 PolarHBondContact O-N 3.18Å; T167-D169 PolarHBondContact OG1-OD1 3.44Å; T167-G170 PolarHBondContact O-N 3.22Å; T167-E172 PolarHBondContact N-OE1 2.88Å; T167-E172 PolarHBondContact OG1-OE2 2.95Å; T167-E172 VanDerWaalsContact OG1-OE2 3.12Å
168	S	69.9	Low	85.6	Confident	140 Å²	140	63.4 Å²	63.4	98%	0.979	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.4	-179.9	52	0	0	0	0	113.4
169	D	72.3	Confident	85.8	Confident	85 Å²	85	58.4 Å²	58.4	46%	0.455	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.8	-178.6	71.9	-10.7	0	0	0	114.1	T167 K171	T167-D169 VanDerWaalsContact CB-OD1 3.26Å; T167-D169 WeakPolarHBondContact CB-OD1 3.49Å; T167-D169 PolarHBondContact O-N 3.18Å; T167-D169 PolarHBondContact OG1-OD1 3.44Å; D169-K171 PolarHBondContact O-N 3.43Å; D169-K171 PolarHBondContact OD1-N 2.93Å; D169-K171 VanDerWaalsContact OD2-CD 3.27Å; D169-K171 WeakPolarHBondContact OD2-CD 3.14Å; D169-K171 VanDerWaalsContact OD2-CE 3.3Å; D169-K171 WeakPolarHBondContact OD2-CE 3.28Å; D169-K171 WeakPolarHBondContact OD2-CG 3.48Å; D169-K171 IonicContact OD2-NZ 2.78Å; D169-K171 PolarHBondContact OD2-NZ 3.39Å
170	G	78.4	Confident	86	Confident	33 Å²	33	58.3 Å²	58.3	34%	0.34	30%	0.301	S	S	.	.			trans	71.2	6.2	174.1	0	0	0	0	0	115.6	T167 E172 R173 E174	T167-G170 PolarHBondContact O-N 3.22Å; G170-E172 VanDerWaalsContact C-N 3.3Å; G170-E172 WeakPolarHBondContact CA-OE2 3.36Å; G170-E172 PolarHBondContact O-N 3.23Å; G170-R173 WeakPolarHBondContact O-CB 3.47Å; G170-R173 PolarHBondContact O-N 2.74Å; G170-E174 PolarHBondContact O-N 3.45Å
171	K	79.5	Confident	86.2	Confident	111 Å²	111	58.3 Å²	58.3	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-32.6	-179.3	-71.6	-172	-170.5	123.6	0	113	D169 R173 E174 T175	D169-K171 PolarHBondContact O-N 3.43Å; D169-K171 PolarHBondContact OD1-N 2.93Å; D169-K171 VanDerWaalsContact OD2-CD 3.27Å; D169-K171 WeakPolarHBondContact OD2-CD 3.14Å; D169-K171 VanDerWaalsContact OD2-CE 3.3Å; D169-K171 WeakPolarHBondContact OD2-CE 3.28Å; D169-K171 WeakPolarHBondContact OD2-CG 3.48Å; D169-K171 IonicContact OD2-NZ 2.78Å; D169-K171 PolarHBondContact OD2-NZ 3.39Å; K171-R173 VanDerWaalsContact C-N 3.28Å; K171-R173 PolarHBondContact O-N 2.98Å; K171-E174 PolarHBondContact O-N 2.89Å; K171-T175 PolarHBondContact O-N 2.62Å; K171-T175 PolarHBondContact O-OG1 3.45Å
172	E	83.6	Confident	86.4	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-40	174.5	82.4	-72.5	-156.9	0	0	110.7	F164 L166 T167 G170 E174 T175 M176	F164-E172 HydrophobicContact CB-CB 4.46Å; L166-E172 WeakPolarHBondContact CA-OE1 3.35Å; T167-E172 PolarHBondContact N-OE1 2.88Å; T167-E172 PolarHBondContact OG1-OE2 2.95Å; T167-E172 VanDerWaalsContact OG1-OE2 3.12Å; G170-E172 VanDerWaalsContact C-N 3.3Å; G170-E172 WeakPolarHBondContact CA-OE2 3.36Å; G170-E172 PolarHBondContact O-N 3.23Å; E172-E174 PolarHBondContact O-N 3.12Å; E172-T175 WeakPolarHBondContact O-CB 3.38Å; E172-T175 PolarHBondContact O-N 3.35Å; E172-M176 HydrophobicContact CB-CE 4.24Å; E172-M176 HydrophobicContact CG-CE 3.92Å; E172-M176 WeakPolarHBondContact O-CG 3.33Å; E172-M176 PolarHBondContact O-N 2.89Å
173	R	86.8	Confident	86.7	Confident	135 Å²	135	48.6 Å²	48.6	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-38.7	179.3	-169.3	178.9	-179.1	88.7	6.2	111.8	G170 K171 M176 R177 F323	G170-R173 WeakPolarHBondContact O-CB 3.47Å; G170-R173 PolarHBondContact O-N 2.74Å; K171-R173 VanDerWaalsContact C-N 3.28Å; K171-R173 PolarHBondContact O-N 2.98Å; R173-M176 PolarHBondContact O-N 3.48Å; R173-R177 PolarHBondContact O-N 2.99Å; R173-F323 HydrophobicContact CG-CE1 3.94Å; R173-F323 HydrophobicContact CG-CZ 3.81Å; R173-F323 WeakPolarHBondContact O-CZ 3.36Å
174	E	87	Confident	86.9	Confident	107 Å²	107	49.1 Å²	49.1	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-40.4	175.1	-173.3	173.2	-165.5	0	0	111.9	G170 K171 E172 R177 T178	G170-E174 PolarHBondContact O-N 3.45Å; K171-E174 PolarHBondContact O-N 2.89Å; E172-E174 PolarHBondContact O-N 3.12Å; E174-R177 PolarHBondContact O-N 3.41Å; E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.96Å
175	T	88.3	Confident	87.1	Confident	21 Å²	21	48.9 Å²	48.9	13%	0.129	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-46.1	174.3	-55.4	0	0	0	0	110.9	K171 E172 T178 C179 F211 F297	K171-T175 PolarHBondContact O-N 2.62Å; K171-T175 PolarHBondContact O-OG1 3.45Å; E172-T175 WeakPolarHBondContact O-CB 3.38Å; E172-T175 PolarHBondContact O-N 3.35Å; T175-T178 PolarHBondContact O-N 3.09Å; T175-C179 WeakPolarHBondContact O-CB 3.49Å; T175-C179 PolarHBondContact O-N 3.21Å; T175-F211 HydrophobicContact CG2-CD1 3.77Å; T175-F211 HydrophobicContact CG2-CE1 4.49Å; T175-F297 HydrophobicContact CG2-CE1 4.06Å
176	M	91.8	Very high	87.3	Confident	28 Å²	28	46.6 Å²	46.6	14%	0.138	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-43.9	175.3	-67.2	170.7	-162.8	0	0	111.9	F156 C160 F164 E172 R173 T178 C179 W180 F323	F156-M176 HydrophobicContact CE1-CB 4.42Å; F156-M176 HydrophobicContact CZ-CB 4.12Å; F156-M176 VanDerWaalsContact CZ-O 3.28Å; F156-M176 WeakPolarHBondContact CZ-O 3.47Å; C160-M176 HydrophobicContact CB-CE 4.16Å; C160-M176 HydrophobicContact CB-CG 4.16Å; C160-M176 HydrophobicContact CB-SD 4Å; F164-M176 HydrophobicContact CB-CE 3.49Å; F164-M176 VanDerWaalsContact CB-CE 3.49Å; F164-M176 HydrophobicContact CD2-CE 3.59Å; F164-M176 HydrophobicContact CD2-CG 3.99Å; F164-M176 HydrophobicContact CE2-CG 4.13Å; F164-M176 HydrophobicContact CG-CE 3.78Å; E172-M176 HydrophobicContact CB-CE 4.24Å; E172-M176 HydrophobicContact CG-CE 3.92Å; E172-M176 WeakPolarHBondContact O-CG 3.33Å; E172-M176 PolarHBondContact O-N 2.89Å; R173-M176 PolarHBondContact O-N 3.48Å; M176-T178 VanDerWaalsContact C-N 3.33Å; M176-T178 PolarHBondContact O-N 3.42Å; M176-C179 PolarHBondContact O-N 3.4Å; M176-W180 WeakPolarHBondContact O-CB 3.23Å; M176-W180 PolarHBondContact O-N 3.47Å; M176-F323 HydrophobicContact CB-CE2 3.71Å; M176-F323 HydrophobicContact CB-CZ 3.94Å
177	R	92.9	Very high	87.8	Confident	95 Å²	95	40.5 Å²	40.5	36%	0.358	21%	0.21	S	C	.	.	H	α-helix	trans	-59.8	-44.9	177.8	-176.8	-178.6	-82.2	150.8	-8.8	111.5	R173 E174 W180 T181 F323 D324	R173-R177 PolarHBondContact O-N 2.99Å; E174-R177 PolarHBondContact O-N 3.41Å; R177-W180 PolarHBondContact O-N 3.26Å; R177-T181 PolarHBondContact O-N 3.12Å; R177-T181 PolarHBondContact O-OG1 3.04Å; R177-F323 HydrophobicContact CB-CD1 3.93Å; R177-F323 HydrophobicContact CB-CE1 3.63Å; R177-F323 HydrophobicContact CB-CE2 4.38Å; R177-F323 HydrophobicContact CB-CG 4.42Å; R177-F323 HydrophobicContact CB-CZ 3.88Å; R177-F323 HydrophobicContact CG-CD1 3.98Å; R177-F323 HydrophobicContact CG-CE1 4.16Å; R177-F323 HydrophobicContact CG-CG 4.46Å; R177-D324 IonicContact CZ-OD1 2.81Å; R177-D324 IonicContact NE-OD1 3.05Å; R177-D324 PolarHBondContact NE-OD1 3.19Å; R177-D324 IonicContact NH2-OD1 3.93Å; R177-D324 PolarHBondContact NH2-OD1 2.88Å
178	T	92.4	Very high	88.5	Confident	7 Å²	7	40 Å²	40	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-41.2	179.4	-50.7	0	0	0	0	110.9	E174 T175 M176 W180 T181 M182 F211 V300	E174-T178 PolarHBondContact O-N 3.19Å; E174-T178 PolarHBondContact O-OG1 2.96Å; T175-T178 PolarHBondContact O-N 3.09Å; M176-T178 VanDerWaalsContact C-N 3.33Å; M176-T178 PolarHBondContact O-N 3.42Å; T178-W180 PolarHBondContact O-N 2.83Å; T178-T181 PolarHBondContact O-N 3.47Å; T178-M182 WeakPolarHBondContact O-CB 3.45Å; T178-M182 PolarHBondContact O-N 2.88Å; T178-F211 HydrophobicContact CG2-CE1 4.03Å; T178-F211 HydrophobicContact CG2-CZ 3.96Å; T178-V300 HydrophobicContact CG2-CG2 4.11Å; T178-V300 WeakPolarHBondContact OG1-CG2 3.41Å
179	C	94.4	Very high	89.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-45.4	174.1	-176.9	0	0	0	0	112	F156 T175 M176 M182 F183 F211	F156-C179 HydrophobicContact CE2-CB 4.38Å; F156-C179 HydrophobicContact CZ-CB 4.4Å; T175-C179 WeakPolarHBondContact O-CB 3.49Å; T175-C179 PolarHBondContact O-N 3.21Å; M176-C179 PolarHBondContact O-N 3.4Å; C179-M182 PolarHBondContact O-N 3.21Å; C179-F183 WeakPolarHBondContact O-CB 3.39Å; C179-F183 PolarHBondContact O-N 3.35Å; C179-F211 VanDerWaalsContact CA-CZ 3.5Å; C179-F211 HydrophobicContact CB-CB 4.47Å; C179-F211 HydrophobicContact CB-CD1 3.87Å; C179-F211 HydrophobicContact CB-CD2 3.82Å; C179-F211 HydrophobicContact CB-CE1 4.01Å; C179-F211 HydrophobicContact CB-CE2 3.94Å; C179-F211 HydrophobicContact CB-CG 3.78Å; C179-F211 HydrophobicContact CB-CZ 4.05Å
180	W	96.3	Very high	89.7	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-45.3	177	179.9	-116.5	0	0	0	111.7	M149 L152 Y153 F156 M176 R177 T178 M182 F183 L184 L204 G319 F323	M149-W180 HydrophobicContact CG-CZ2 4.33Å; L152-W180 HydrophobicContact CB-CH2 4.2Å; L152-W180 HydrophobicContact CB-CZ3 4.5Å; Y153-W180 HydrophobicContact CD2-CD2 4.13Å; Y153-W180 AromaticContact CD2-CE2 3.85Å; Y153-W180 HydrophobicContact CD2-CE3 4.45Å; Y153-W180 HydrophobicContact CD2-CH2 4.33Å; Y153-W180 AromaticContact CD2-CZ2 3.97Å; Y153-W180 HydrophobicContact CD2-CZ2 3.97Å; Y153-W180 HydrophobicContact CG-CZ2 4.31Å; F156-W180 HydrophobicContact CB-CE3 4.1Å; F156-W180 HydrophobicContact CB-CZ3 4.06Å; F156-W180 HydrophobicContact CD1-CB 4.42Å; F156-W180 HydrophobicContact CD1-CD2 4.34Å; F156-W180 AromaticContact CD1-CE3 3.89Å; F156-W180 HydrophobicContact CD1-CE3 3.89Å; F156-W180 HydrophobicContact CD2-CE3 4.29Å; F156-W180 HydrophobicContact CE1-CB 3.83Å; F156-W180 HydrophobicContact CE1-CE3 4.42Å; F156-W180 HydrophobicContact CE1-CG 4.39Å; F156-W180 AromaticContact CG-CE3 3.82Å; F156-W180 HydrophobicContact CG-CE3 3.82Å; F156-W180 HydrophobicContact CG-CZ3 4.29Å; F156-W180 HydrophobicContact CZ-CB 3.94Å; M176-W180 WeakPolarHBondContact O-CB 3.23Å; M176-W180 PolarHBondContact O-N 3.47Å; R177-W180 PolarHBondContact O-N 3.26Å; T178-W180 PolarHBondContact O-N 2.83Å; W180-M182 PolarHBondContact O-N 3.22Å; W180-F183 HydrophobicContact CD2-CD1 4.4Å; W180-F183 AromaticContact CE3-CD1 3.62Å; W180-F183 HydrophobicContact CE3-CD1 3.62Å; W180-F183 HydrophobicContact CE3-CE1 4.2Å; W180-F183 AromaticContact CH2-CD1 3.98Å; W180-F183 HydrophobicContact CH2-CD1 3.98Å; W180-F183 AromaticContact CH2-CE1 3.75Å; W180-F183 HydrophobicContact CH2-CE1 3.75Å; W180-F183 AromaticContact CZ3-CD1 3.38Å; W180-F183 HydrophobicContact CZ3-CD1 3.38Å; W180-F183 AromaticContact CZ3-CE1 3.47Å; W180-F183 HydrophobicContact CZ3-CE1 3.47Å; W180-F183 VanDerWaalsContact CZ3-CE1 3.47Å; W180-F183 WeakPolarHBondContact O-CB 3.44Å; W180-F183 PolarHBondContact O-N 2.77Å; W180-L184 HydrophobicContact CD2-CG 4.38Å; W180-L184 HydrophobicContact CG-CD1 4.5Å; W180-L184 HydrophobicContact CH2-CD2 4.29Å; W180-L184 HydrophobicContact CZ2-CD1 4.44Å; W180-L184 HydrophobicContact CZ2-CD2 3.76Å; W180-L184 HydrophobicContact CZ2-CG 4.21Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 3.5Å; W180-L204 HydrophobicContact CE3-CD1 4.44Å; W180-L204 HydrophobicContact CZ3-CD1 4.44Å; W180-G319 PolarHBondContact NE1-O 3.4Å; W180-F323 HydrophobicContact CB-CD2 4.47Å
181	T	95.4	Very high	89.9	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-41.5	179.2	-50.5	0	0	0	0	111.6	R177 T178 F183 L184 L185 V303 N304 Y307 R320	R177-T181 PolarHBondContact O-N 3.12Å; R177-T181 PolarHBondContact O-OG1 3.04Å; T178-T181 PolarHBondContact O-N 3.47Å; T181-F183 VanDerWaalsContact C-N 3.33Å; T181-F183 PolarHBondContact O-N 2.71Å; T181-L184 PolarHBondContact O-N 3.27Å; T181-L185 PolarHBondContact O-N 2.83Å; T181-V303 HydrophobicContact CG2-CG1 3.91Å; T181-N304 WeakPolarHBondContact CG2-OD1 3.49Å; T181-Y307 HydrophobicContact CG2-CD1 4.33Å; T181-Y307 HydrophobicContact CG2-CG 4.03Å; T181-R320 HydrophobicContact CG2-CG 4.24Å
182	M	93.9	Very high	89.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-40.5	175.6	-167.2	177.8	-152.5	0	0	111.7	T178 C179 W180 L185 A186 T207 L210 F211 F285 L286 M289 L291 P298 V303	T178-M182 WeakPolarHBondContact O-CB 3.45Å; T178-M182 PolarHBondContact O-N 2.88Å; C179-M182 PolarHBondContact O-N 3.21Å; W180-M182 PolarHBondContact O-N 3.22Å; M182-L185 PolarHBondContact O-N 3.21Å; M182-A186 WeakPolarHBondContact O-CB 3.46Å; M182-A186 PolarHBondContact O-N 3.2Å; M182-T207 HydrophobicContact CB-CG2 4.26Å; M182-T207 HydrophobicContact CG-CG2 4.43Å; M182-L210 HydrophobicContact CE-CD2 3.98Å; M182-L210 HydrophobicContact SD-CD2 3.87Å; M182-F211 HydrophobicContact CB-CE2 4.18Å; M182-F211 HydrophobicContact CB-CZ 4.38Å; M182-F211 HydrophobicContact SD-CE2 3.53Å; M182-F211 VanDerWaalsContact SD-CE2 3.53Å; M182-F211 HydrophobicContact SD-CZ 4.04Å; M182-F285 HydrophobicContact CE-CE1 4.19Å; M182-F285 HydrophobicContact CG-CE1 4.15Å; M182-F285 HydrophobicContact CG-CZ 4.3Å; M182-L286 HydrophobicContact CE-CD2 3.86Å; M182-M289 HydrophobicContact CE-CE 3.3Å; M182-M289 HydrophobicContact CG-CE 4.44Å; M182-L291 HydrophobicContact CE-CD1 3.26Å; M182-P298 HydrophobicContact CE-CB 4.22Å; M182-P298 HydrophobicContact CE-CG 3.69Å; M182-P298 HydrophobicContact SD-CB 4.43Å; M182-P298 HydrophobicContact SD-CG 3.69Å; M182-V303 HydrophobicContact CB-CG1 4.13Å
183	F	95.9	Very high	89.4	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-46.8	173.3	161.2	-105.8	0	0	0	111.7	L152 C179 W180 T181 L185 A186 K187 S200 L204 T207	L152-F183 HydrophobicContact CD1-CE1 4.42Å; L152-F183 HydrophobicContact CD1-CZ 4.03Å; L152-F183 HydrophobicContact CD2-CZ 4.41Å; C179-F183 WeakPolarHBondContact O-CB 3.39Å; C179-F183 PolarHBondContact O-N 3.35Å; W180-F183 HydrophobicContact CD2-CD1 4.4Å; W180-F183 AromaticContact CE3-CD1 3.62Å; W180-F183 HydrophobicContact CE3-CD1 3.62Å; W180-F183 HydrophobicContact CE3-CE1 4.2Å; W180-F183 AromaticContact CH2-CD1 3.98Å; W180-F183 HydrophobicContact CH2-CD1 3.98Å; W180-F183 AromaticContact CH2-CE1 3.75Å; W180-F183 HydrophobicContact CH2-CE1 3.75Å; W180-F183 AromaticContact CZ3-CD1 3.38Å; W180-F183 HydrophobicContact CZ3-CD1 3.38Å; W180-F183 AromaticContact CZ3-CE1 3.47Å; W180-F183 HydrophobicContact CZ3-CE1 3.47Å; W180-F183 VanDerWaalsContact CZ3-CE1 3.47Å; W180-F183 WeakPolarHBondContact O-CB 3.44Å; W180-F183 PolarHBondContact O-N 2.77Å; T181-F183 VanDerWaalsContact C-N 3.33Å; T181-F183 PolarHBondContact O-N 2.71Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 3.41Å; F183-A186 PolarHBondContact O-N 3.46Å; F183-K187 HydrophobicContact CE2-CB 4.31Å; F183-K187 HydrophobicContact CZ-CB 4.39Å; F183-K187 HydrophobicContact CZ-CD 4.05Å; F183-K187 WeakPolarHBondContact O-CB 3.2Å; F183-K187 PolarHBondContact O-N 3.46Å; F183-S200 VanDerWaalsContact CE2-O 3.22Å; F183-S200 WeakPolarHBondContact CE2-O 3.22Å; F183-L204 HydrophobicContact CB-CD1 3.85Å; F183-L204 HydrophobicContact CD1-CD1 3.83Å; F183-L204 HydrophobicContact CD2-CB 3.73Å; F183-L204 HydrophobicContact CD2-CD1 3.75Å; F183-L204 HydrophobicContact CD2-CG 4.37Å; F183-L204 HydrophobicContact CE1-CD1 4.34Å; F183-L204 HydrophobicContact CE2-CB 3.64Å; F183-L204 HydrophobicContact CE2-CD1 4.29Å; F183-L204 HydrophobicContact CG-CB 4.34Å; F183-L204 HydrophobicContact CG-CD1 3.48Å; F183-L204 VanDerWaalsContact CG-CD1 3.48Å; F183-L204 HydrophobicContact CZ-CB 4.17Å; F183-T207 HydrophobicContact CB-CG2 4.05Å
184	L	94.6	Very high	88.6	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.052	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-41.6	178.7	-70.3	173	0	0	0	111.6	M149 W180 T181 G188 Y307 G319 R320	M149-L184 HydrophobicContact SD-CD2 4.4Å; W180-L184 HydrophobicContact CD2-CG 4.38Å; W180-L184 HydrophobicContact CG-CD1 4.5Å; W180-L184 HydrophobicContact CH2-CD2 4.29Å; W180-L184 HydrophobicContact CZ2-CD1 4.44Å; W180-L184 HydrophobicContact CZ2-CD2 3.76Å; W180-L184 HydrophobicContact CZ2-CG 4.21Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 3.5Å; T181-L184 PolarHBondContact O-N 3.27Å; L184-G188 PolarHBondContact O-N 3.34Å; L184-Y307 HydrophobicContact CB-CD2 3.88Å; L184-Y307 HydrophobicContact CB-CE2 3.46Å; L184-Y307 VanDerWaalsContact CB-CE2 3.46Å; L184-Y307 HydrophobicContact CD1-CE1 4.44Å; L184-Y307 HydrophobicContact CD1-CE2 4.1Å; L184-Y307 HydrophobicContact CG-CE2 4.36Å; L184-G319 VanDerWaalsContact CD1-C 3.45Å; L184-R320 HydrophobicContact CD1-CG 4.35Å
185	L	92.9	Very high	87.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-44.5	176	-173.9	60.5	0	0	0	111.9	T181 M182 F183 K187 G188 R189 F285 M289 Q306 Y307 H310	T181-L185 PolarHBondContact O-N 2.83Å; M182-L185 PolarHBondContact O-N 3.21Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 3.41Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.92Å; L185-G188 PolarHBondContact O-N 3.49Å; L185-R189 HydrophobicContact CD1-CG 4.42Å; L185-R189 PolarHBondContact O-N 3.46Å; L185-F285 HydrophobicContact CB-CZ 4.43Å; L185-F285 HydrophobicContact CD2-CE2 4.42Å; L185-F285 HydrophobicContact CD2-CZ 4.42Å; L185-F285 HydrophobicContact CG-CE2 4.04Å; L185-F285 HydrophobicContact CG-CZ 4.27Å; L185-M289 HydrophobicContact CD2-SD 3.7Å; L185-Q306 HydrophobicContact CD1-CB 4.49Å; L185-Q306 HydrophobicContact CD2-CB 3.81Å; L185-Y307 HydrophobicContact CB-CD2 4.39Å; L185-H310 HydrophobicContact CD1-CB 4.32Å
186	A	92.2	Very high	87.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-46.9	175.9	0	0	0	0	0	111	M182 F183 G188 R189 A190 L203 F285	M182-A186 WeakPolarHBondContact O-CB 3.46Å; M182-A186 PolarHBondContact O-N 3.2Å; F183-A186 PolarHBondContact O-N 3.46Å; A186-G188 PolarHBondContact O-N 3.42Å; A186-R189 PolarHBondContact O-N 2.95Å; A186-A190 WeakPolarHBondContact O-CB 3.37Å; A186-A190 PolarHBondContact O-N 3.06Å; A186-L203 HydrophobicContact CB-CD2 4.15Å; A186-L203 HydrophobicContact CB-CG 4.45Å; A186-F285 HydrophobicContact CB-CD1 3.66Å; A186-F285 HydrophobicContact CB-CD2 4.23Å; A186-F285 HydrophobicContact CB-CE1 3.51Å; A186-F285 HydrophobicContact CB-CE2 4.1Å; A186-F285 HydrophobicContact CB-CG 4Å; A186-F285 HydrophobicContact CB-CZ 3.73Å
187	K	91.4	Very high	87.4	Confident	22 Å²	22	25.5 Å²	25.5	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-47.4	176.9	-174.5	-171.9	179	-59.1	0	111.3	F183 L185 R189 L191 E194 S200 L203	F183-K187 HydrophobicContact CE2-CB 4.31Å; F183-K187 HydrophobicContact CZ-CB 4.39Å; F183-K187 HydrophobicContact CZ-CD 4.05Å; F183-K187 WeakPolarHBondContact O-CB 3.2Å; F183-K187 PolarHBondContact O-N 3.46Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-K187 PolarHBondContact O-N 2.92Å; K187-R189 VanDerWaalsContact C-N 3.33Å; K187-R189 PolarHBondContact O-N 3.18Å; K187-L191 HydrophobicContact CG-CD1 4.22Å; K187-L191 WeakPolarHBondContact O-CB 3.45Å; K187-L191 PolarHBondContact O-N 3.06Å; K187-L191 VanDerWaalsContact O-N 3.13Å; K187-E194 PolarHBondContact NZ-O 3.04Å; K187-S200 VanDerWaalsContact CE-OG 3.28Å; K187-S200 WeakPolarHBondContact CE-OG 3.34Å; K187-L203 HydrophobicContact CB-CD2 4.35Å
188	G	88.7	Confident	87.3	Confident	31 Å²	31	21 Å²	21	32%	0.32	11%	0.106	S	C	.	.	H	α-helix	trans	-66.1	-29.9	-178.8	0	0	0	0	0	114.4	L184 L185 A186 H310	L184-G188 PolarHBondContact O-N 3.34Å; L185-G188 PolarHBondContact O-N 3.49Å; A186-G188 PolarHBondContact O-N 3.42Å; G188-H310 PolarHBondContact O-NE2 3.35Å
189	R	86.6	Confident	87.2	Confident	105 Å²	105	20.7 Å²	20.7	40%	0.396	10%	0.104	S	C	.	.	H	α-helix	trans	-91.8	-35.6	178.8	-67.6	-173	-178.4	172.6	4.3	113.8	L185 A186 K187 F285	L185-R189 HydrophobicContact CD1-CG 4.42Å; L185-R189 PolarHBondContact O-N 3.46Å; A186-R189 PolarHBondContact O-N 2.95Å; K187-R189 VanDerWaalsContact C-N 3.33Å; K187-R189 PolarHBondContact O-N 3.18Å; R189-F285 HydrophobicContact CB-CD2 4.32Å
190	A	81.8	Confident	87.1	Confident	10 Å²	10	20.7 Å²	20.7	8%	0.083	10%	0.104	C	C	.	.	H	α-helix	trans	-88.1	-30.4	-173.2	0	0	0	0	0	113.6	A186 L203	A186-A190 WeakPolarHBondContact O-CB 3.37Å; A186-A190 PolarHBondContact O-N 3.06Å; A190-L203 HydrophobicContact CB-CD2 4.41Å
191	L	82.2	Confident	86.9	Confident	11 Å²	11	20.7 Å²	20.7	6%	0.058	10%	0.104	C	C	.	.			trans	-112.3	127.9	-175.5	-54.4	-177.7	0	0	0	110.8	K187 I199 S200 L203	K187-L191 HydrophobicContact CG-CD1 4.22Å; K187-L191 WeakPolarHBondContact O-CB 3.45Å; K187-L191 PolarHBondContact O-N 3.06Å; K187-L191 VanDerWaalsContact O-N 3.13Å; L191-I199 HydrophobicContact CD1-CG2 4.25Å; L191-I199 HydrophobicContact CD2-CG2 3.76Å; L191-S200 WeakPolarHBondContact CD1-OG 3.37Å; L191-L203 HydrophobicContact CD1-CD2 4.42Å; L191-L203 HydrophobicContact CG-CD2 4.47Å
192	Q	78.6	Confident	86.8	Confident	106 Å²	106	20.7 Å²	20.7	50%	0.495	10%	0.104	S	C	.	.	S	Bend	trans	-82.9	-30.1	169.9	-66.2	-178.5	-6	0	0	111.6	E194 E418 V420	Q192-E194 PolarHBondContact O-N 3.05Å; Q192-E418 PolarHBondContact OE1-O 2.69Å; Q192-V420 WeakPolarHBondContact CB-O 3.45Å; Q192-V420 PolarHBondContact N-O 2.85Å
193	M	73.9	Confident	86.9	Confident	6 Å²	6	20.7 Å²	20.7	3%	0.03	10%	0.104	C	C	.	.			trans	-78.5	111.1	171.2	-79.7	-167.8	-5.3	0	0	111.1	D196 A419 V420 T499 L501	M193-D196 HydrophobicContact CB-CB 4.27Å; M193-D196 HydrophobicContact CE-CB 3.96Å; M193-A419 VanDerWaalsContact CG-O 3.3Å; M193-A419 WeakPolarHBondContact CG-O 3.47Å; M193-V420 HydrophobicContact CE-CG2 3.83Å; M193-V420 HydrophobicContact CG-CG2 4.41Å; M193-V420 PolarHBondContact N-O 3.29Å; M193-V420 HydrophobicContact SD-CG2 3.8Å; M193-T499 VanDerWaalsContact SD-O 3.34Å; M193-L501 HydrophobicContact CE-CD1 3.61Å; M193-L501 HydrophobicContact CE-CG 4Å; M193-L501 HydrophobicContact SD-CD1 3.92Å; M193-L501 HydrophobicContact SD-CD2 4.49Å; M193-L501 HydrophobicContact SD-CG 3.71Å
194	E	70.1	Confident	86.9	Confident	72 Å²	72	20.7 Å²	20.7	34%	0.336	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-21.4	-174.6	-59	-165.9	145.1	0	0	113.7	K145 K187 Q192	K145-E194 HydrophobicContact CD-CB 4.46Å; K145-E194 IonicContact NZ-OE1 3.62Å; K145-E194 PolarHBondContact NZ-OE1 3.19Å; K145-E194 VanDerWaalsContact NZ-OE1 3.08Å; K145-E194 IonicContact NZ-OE2 2.7Å; K145-E194 PolarHBondContact NZ-OE2 3.08Å; K187-E194 PolarHBondContact NZ-O 3.04Å; Q192-E194 PolarHBondContact O-N 3.05Å
195	D	70.5	Confident	86.9	Confident	33 Å²	33	20.2 Å²	20.2	18%	0.176	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	10.1	-175.3	62.9	-22.9	0	0	0	114.3	K144 V148 L197	K144-D195 HydrophobicContact CB-CB 4.12Å; K144-D195 VanDerWaalsContact CD-OD2 3.29Å; K144-D195 WeakPolarHBondContact CD-OD2 3.1Å; K144-D195 IonicContact NZ-OD2 3.88Å; V148-D195 HydrophobicContact CG2-CB 4.3Å; V148-D195 WeakPolarHBondContact CG2-O 3.38Å; D195-L197 PolarHBondContact O-N 3.37Å
196	D	83.7	Confident	87	Confident	12 Å²	12	20.2 Å²	20.2	6%	0.064	10%	0.102	C	C	.	.			trans	-67.4	122.6	170.3	178.5	-82.3	0	0	0	110.5	M193 V198 I199 S200	M193-D196 HydrophobicContact CB-CB 4.27Å; M193-D196 HydrophobicContact CE-CB 3.96Å; D196-V198 PolarHBondContact OD1-N 3.41Å; D196-V198 VanDerWaalsContact OD1-N 3.16Å; D196-I199 VanDerWaalsContact OD1-CA 3.28Å; D196-I199 WeakPolarHBondContact OD1-CA 3.47Å; D196-I199 WeakPolarHBondContact OD1-CB 3.32Å; D196-I199 PolarHBondContact OD1-N 3.03Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-OG 3.12Å; D196-S200 PolarHBondContact OD1-N 2.88Å
197	L	87.8	Confident	87.1	Confident	12 Å²	12	20.2 Å²	20.2	6%	0.063	10%	0.102	C	C	.	.	S	Bend	trans	-87	-38.3	-180	-174.9	62.5	0	0	0	112.7	V148 A151 L152 D195 F201 P360 I361	V148-L197 HydrophobicContact CG1-CD1 4.07Å; A151-L197 HydrophobicContact CB-CD1 4.16Å; L152-L197 HydrophobicContact CD2-CD1 4.28Å; L152-L197 HydrophobicContact CG-CD1 4.08Å; D195-L197 PolarHBondContact O-N 3.37Å; L197-F201 WeakPolarHBondContact O-CB 3.48Å; L197-F201 PolarHBondContact O-N 3.48Å; L197-P360 HydrophobicContact CD2-CB 3.98Å; L197-I361 HydrophobicContact CD1-CD1 4.14Å; L197-I361 HydrophobicContact CD1-CG1 3.66Å; L197-I361 HydrophobicContact CD2-CG1 3.99Å; L197-I361 HydrophobicContact CG-CG1 3.87Å
198	V	89.8	Confident	87.3	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-78.1	-54.5	-167.5	175	0	0	0	0	111.8	D196 S200 F201 Q202 A364 M365 I368 Y484	D196-V198 PolarHBondContact OD1-N 3.41Å; D196-V198 VanDerWaalsContact OD1-N 3.16Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.32Å; V198-F201 PolarHBondContact O-N 3.29Å; V198-F201 VanDerWaalsContact O-N 3.15Å; V198-Q202 VanDerWaalsContact O-CG 3.27Å; V198-Q202 WeakPolarHBondContact O-CG 3.41Å; V198-Q202 PolarHBondContact O-N 3.34Å; V198-A364 HydrophobicContact CG2-CB 4.21Å; V198-M365 HydrophobicContact CB-CE 4.37Å; V198-M365 HydrophobicContact CG1-CE 3.8Å; V198-M365 HydrophobicContact CG2-CE 4.32Å; V198-I368 HydrophobicContact CG1-CD1 4.1Å; V198-I368 HydrophobicContact CG2-CD1 4Å; V198-Y484 HydrophobicContact CB-CD1 4.46Å; V198-Y484 HydrophobicContact CG1-CD1 3.97Å; V198-Y484 HydrophobicContact CG1-CE1 4.35Å; V198-Y484 HydrophobicContact CG2-CD1 4.34Å; V198-Y484 WeakPolarHBondContact CG2-O 3.3Å
199	I	89.9	Confident	87.5	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-39.5	177.2	-54	172.5	0	0	0	109.3	L191 D196 F201 Q202 L203 V277 F416 V420 Y427	L191-I199 HydrophobicContact CD1-CG2 4.25Å; L191-I199 HydrophobicContact CD2-CG2 3.76Å; D196-I199 VanDerWaalsContact OD1-CA 3.28Å; D196-I199 WeakPolarHBondContact OD1-CA 3.47Å; D196-I199 WeakPolarHBondContact OD1-CB 3.32Å; D196-I199 PolarHBondContact OD1-N 3.03Å; I199-F201 VanDerWaalsContact C-N 3.32Å; I199-F201 PolarHBondContact O-N 3.32Å; I199-Q202 PolarHBondContact O-N 2.9Å; I199-L203 WeakPolarHBondContact O-CB 3.37Å; I199-L203 PolarHBondContact O-N 3.1Å; I199-V277 HydrophobicContact CG2-CG2 4.41Å; I199-F416 HydrophobicContact CD1-CZ 4.35Å; I199-V420 HydrophobicContact CD1-CG1 3.81Å; I199-Y427 HydrophobicContact CD1-CD2 4.04Å; I199-Y427 HydrophobicContact CG2-CE2 4.22Å
200	S	92.1	Very high	87.7	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-42.5	172.8	-65.5	0	0	0	0	112.3	F183 K187 L191 D196 V198 L203 L204	F183-S200 VanDerWaalsContact CE2-O 3.22Å; F183-S200 WeakPolarHBondContact CE2-O 3.22Å; K187-S200 VanDerWaalsContact CE-OG 3.28Å; K187-S200 WeakPolarHBondContact CE-OG 3.34Å; L191-S200 WeakPolarHBondContact CD1-OG 3.37Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-OG 3.12Å; D196-S200 PolarHBondContact OD1-N 2.88Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.32Å; S200-L203 PolarHBondContact O-N 3.48Å; S200-L204 PolarHBondContact O-N 3.17Å
201	F	93.6	Very high	88.1	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.4	-38.8	176.4	-177	-117.7	0	0	0	112.4	L152 R155 L197 V198 I199 L203 L204 L205 N267 C269 I361 M365	L152-F201 HydrophobicContact CD2-CB 3.88Å; L152-F201 HydrophobicContact CD2-CD2 4.3Å; R155-F201 HydrophobicContact CB-CE2 4.31Å; R155-F201 HydrophobicContact CG-CD2 4.13Å; R155-F201 HydrophobicContact CG-CE2 3.34Å; R155-F201 HydrophobicContact CG-CZ 3.78Å; L197-F201 WeakPolarHBondContact O-CB 3.48Å; L197-F201 PolarHBondContact O-N 3.48Å; V198-F201 PolarHBondContact O-N 3.29Å; V198-F201 VanDerWaalsContact O-N 3.15Å; I199-F201 VanDerWaalsContact C-N 3.32Å; I199-F201 PolarHBondContact O-N 3.32Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 3.03Å; F201-L204 HydrophobicContact CD2-CD2 4.03Å; F201-L204 HydrophobicContact CE2-CD2 4.19Å; F201-L204 WeakPolarHBondContact O-CB 3.18Å; F201-L204 PolarHBondContact O-N 2.95Å; F201-L205 HydrophobicContact CE1-CD1 4.11Å; F201-L205 HydrophobicContact CE1-CD2 4.49Å; F201-L205 HydrophobicContact CE1-CG 4.35Å; F201-L205 HydrophobicContact CE2-CD2 4.28Å; F201-L205 HydrophobicContact CZ-CD1 4.41Å; F201-L205 HydrophobicContact CZ-CD2 3.98Å; F201-L205 HydrophobicContact CZ-CG 4.27Å; F201-L205 WeakPolarHBondContact O-CG 3.48Å; F201-L205 PolarHBondContact O-N 3.39Å; F201-N267 HydrophobicContact CE1-CB 4.06Å; F201-N267 HydrophobicContact CZ-CB 3.89Å; F201-C269 WeakPolarHBondContact CE1-SG 3.39Å; F201-I361 HydrophobicContact CB-CG2 4.41Å; F201-I361 HydrophobicContact CD1-CG2 3.56Å; F201-I361 HydrophobicContact CD2-CD1 3.91Å; F201-I361 HydrophobicContact CD2-CG2 4.11Å; F201-I361 HydrophobicContact CE1-CG2 3.7Å; F201-I361 HydrophobicContact CE2-CD1 4.47Å; F201-I361 HydrophobicContact CE2-CG2 4.31Å; F201-I361 HydrophobicContact CG-CD1 4.26Å; F201-I361 HydrophobicContact CG-CG2 3.75Å; F201-I361 HydrophobicContact CZ-CG2 4.1Å; F201-M365 HydrophobicContact CD1-CE 3.75Å
202	Q	93.6	Very high	88.5	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-38.3	175.4	-66.2	172.1	-8	0	0	111.5	V198 I199 L205 C206 E273 V274 V277	V198-Q202 VanDerWaalsContact O-CG 3.27Å; V198-Q202 WeakPolarHBondContact O-CG 3.41Å; V198-Q202 PolarHBondContact O-N 3.34Å; I199-Q202 PolarHBondContact O-N 2.9Å; Q202-L205 PolarHBondContact O-N 3.11Å; Q202-C206 PolarHBondContact O-N 3.16Å; Q202-C206 VanDerWaalsContact O-N 3.12Å; Q202-C206 PolarHBondContact O-SG 3.25Å; Q202-E273 PolarHBondContact NE2-OE2 3.42Å; Q202-V274 HydrophobicContact CB-CG2 4.12Å; Q202-V274 HydrophobicContact CG-CG2 3.89Å; Q202-V277 HydrophobicContact CB-CB 4.34Å; Q202-V277 HydrophobicContact CB-CG1 4.42Å; Q202-V277 HydrophobicContact CB-CG2 3.86Å
203	L	94.3	Very high	88.9	Confident	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-66.2	-36.6	173.4	-173.6	64.3	0	0	0	112	A186 K187 A190 L191 I199 S200 F201 L205 C206 T207 V277 F282	A186-L203 HydrophobicContact CB-CD2 4.15Å; A186-L203 HydrophobicContact CB-CG 4.45Å; K187-L203 HydrophobicContact CB-CD2 4.35Å; A190-L203 HydrophobicContact CB-CD2 4.41Å; L191-L203 HydrophobicContact CD1-CD2 4.42Å; L191-L203 HydrophobicContact CG-CD2 4.47Å; I199-L203 WeakPolarHBondContact O-CB 3.37Å; I199-L203 PolarHBondContact O-N 3.1Å; S200-L203 PolarHBondContact O-N 3.48Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 3.03Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-C206 WeakPolarHBondContact O-CB 3.38Å; L203-C206 PolarHBondContact O-N 2.86Å; L203-T207 PolarHBondContact O-N 3.46Å; L203-T207 PolarHBondContact O-OG1 2.97Å; L203-V277 HydrophobicContact CB-CG1 4.11Å; L203-V277 HydrophobicContact CD1-CG1 4.08Å; L203-F282 HydrophobicContact CD1-CB 3.93Å; L203-F282 HydrophobicContact CD1-CD2 3.79Å; L203-F282 HydrophobicContact CD1-CG 4.26Å
204	L	96.1	Very high	89.5	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61	-42.5	171.9	179.2	65.9	0	0	0	111.5	F156 W180 F183 S200 F201 C206 T207 L208	F156-L204 HydrophobicContact CB-CD2 3.94Å; F156-L204 HydrophobicContact CD2-CD1 3.81Å; F156-L204 HydrophobicContact CD2-CD2 4.43Å; F156-L204 HydrophobicContact CE2-CD1 4.49Å; W180-L204 HydrophobicContact CE3-CD1 4.44Å; W180-L204 HydrophobicContact CZ3-CD1 4.44Å; F183-L204 HydrophobicContact CB-CD1 3.85Å; F183-L204 HydrophobicContact CD1-CD1 3.83Å; F183-L204 HydrophobicContact CD2-CB 3.73Å; F183-L204 HydrophobicContact CD2-CD1 3.75Å; F183-L204 HydrophobicContact CD2-CG 4.37Å; F183-L204 HydrophobicContact CE1-CD1 4.34Å; F183-L204 HydrophobicContact CE2-CB 3.64Å; F183-L204 HydrophobicContact CE2-CD1 4.29Å; F183-L204 HydrophobicContact CG-CB 4.34Å; F183-L204 HydrophobicContact CG-CD1 3.48Å; F183-L204 VanDerWaalsContact CG-CD1 3.48Å; F183-L204 HydrophobicContact CZ-CB 4.17Å; S200-L204 PolarHBondContact O-N 3.17Å; F201-L204 HydrophobicContact CD2-CD2 4.03Å; F201-L204 HydrophobicContact CE2-CD2 4.19Å; F201-L204 WeakPolarHBondContact O-CB 3.18Å; F201-L204 PolarHBondContact O-N 2.95Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 2.92Å; L204-T207 WeakPolarHBondContact O-CB 3.44Å; L204-T207 PolarHBondContact O-N 2.95Å; L204-L208 HydrophobicContact CG-CD1 4.29Å; L204-L208 WeakPolarHBondContact O-CG 3.24Å; L204-L208 PolarHBondContact O-N 2.78Å
205	L	95.3	Very high	90.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.3	-37.7	175.6	-64.1	-177.9	0	0	0	112.2	F201 Q202 L203 T207 L208 E209 N267 C269 V274	F201-L205 HydrophobicContact CE1-CD1 4.11Å; F201-L205 HydrophobicContact CE1-CD2 4.49Å; F201-L205 HydrophobicContact CE1-CG 4.35Å; F201-L205 HydrophobicContact CE2-CD2 4.28Å; F201-L205 HydrophobicContact CZ-CD1 4.41Å; F201-L205 HydrophobicContact CZ-CD2 3.98Å; F201-L205 HydrophobicContact CZ-CG 4.27Å; F201-L205 WeakPolarHBondContact O-CG 3.48Å; F201-L205 PolarHBondContact O-N 3.39Å; Q202-L205 PolarHBondContact O-N 3.11Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L205-T207 VanDerWaalsContact C-N 3.33Å; L205-L208 HydrophobicContact CD2-CD1 4.24Å; L205-L208 PolarHBondContact O-N 3.32Å; L205-E209 PolarHBondContact O-N 3Å; L205-N267 HydrophobicContact CD1-CB 4.18Å; L205-N267 HydrophobicContact CD2-CB 4.11Å; L205-C269 HydrophobicContact CD1-CB 4.12Å; L205-V274 HydrophobicContact CB-CG1 4.25Å; L205-V274 HydrophobicContact CD1-CG2 4.21Å
206	C	94.8	Very high	90.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.3	-40.8	173.5	-60	0	0	0	0	111.5	Q202 L203 L204 E209 L210 Y278 F282	Q202-C206 PolarHBondContact O-N 3.16Å; Q202-C206 VanDerWaalsContact O-N 3.12Å; Q202-C206 PolarHBondContact O-SG 3.25Å; L203-C206 WeakPolarHBondContact O-CB 3.38Å; L203-C206 PolarHBondContact O-N 2.86Å; L204-C206 VanDerWaalsContact C-N 3.32Å; L204-C206 PolarHBondContact O-N 2.92Å; C206-E209 WeakPolarHBondContact O-CB 3.22Å; C206-E209 PolarHBondContact O-N 3.16Å; C206-L210 PolarHBondContact O-N 2.92Å; C206-Y278 HydrophobicContact CB-CD2 3.64Å; C206-Y278 HydrophobicContact CB-CE2 4.14Å; C206-Y278 HydrophobicContact CB-CG 4.44Å; C206-F282 HydrophobicContact CB-CB 4.11Å; C206-F282 HydrophobicContact CB-CD1 3.74Å; C206-F282 HydrophobicContact CB-CD2 4.26Å; C206-F282 HydrophobicContact CB-CE1 4.16Å; C206-F282 HydrophobicContact CB-CG 3.78Å; C206-F282 WeakPolarHBondContact O-CE1 3.32Å
207	T	94.7	Very high	90.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.2	-49	0	0	0	0	111	M182 F183 L203 L204 L205 E209 L210 F211	M182-T207 HydrophobicContact CB-CG2 4.26Å; M182-T207 HydrophobicContact CG-CG2 4.43Å; F183-T207 HydrophobicContact CB-CG2 4.05Å; L203-T207 PolarHBondContact O-N 3.46Å; L203-T207 PolarHBondContact O-OG1 2.97Å; L204-T207 WeakPolarHBondContact O-CB 3.44Å; L204-T207 PolarHBondContact O-N 2.95Å; L205-T207 VanDerWaalsContact C-N 3.33Å; T207-E209 PolarHBondContact O-N 3Å; T207-L210 WeakPolarHBondContact O-CB 3.46Å; T207-L210 PolarHBondContact O-N 2.89Å; T207-F211 HydrophobicContact CG2-CD2 4.29Å; T207-F211 HydrophobicContact CG2-CE2 4.2Å; T207-F211 WeakPolarHBondContact O-CD2 3.44Å; T207-F211 PolarHBondContact O-N 2.69Å
208	L	94.5	Very high	90.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-41.9	175.4	-76.8	167	0	0	0	112.1	F156 T159 I163 L204 L205 L210 F211 I212	F156-L208 HydrophobicContact CD2-CD2 4.24Å; F156-L208 HydrophobicContact CE2-CD2 3.9Å; T159-L208 HydrophobicContact CG2-CD1 3.85Å; I163-L208 HydrophobicContact CD1-CD1 4.49Å; I163-L208 HydrophobicContact CD1-CD2 4.29Å; L204-L208 HydrophobicContact CG-CD1 4.29Å; L204-L208 WeakPolarHBondContact O-CG 3.24Å; L204-L208 PolarHBondContact O-N 2.78Å; L205-L208 HydrophobicContact CD2-CD1 4.24Å; L205-L208 PolarHBondContact O-N 3.32Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.23Å; L208-F211 PolarHBondContact O-N 3.28Å; L208-I212 HydrophobicContact CB-CD1 4.34Å; L208-I212 WeakPolarHBondContact O-CB 3.45Å; L208-I212 WeakPolarHBondContact O-CD1 3.42Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.5Å
209	E	93.6	Very high	90	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.3	-45.7	174.4	-175	-82.8	169.8	0	0	111.5	L205 C206 T207 F211 I212 K213 D256 L259 L260 L263 Y278	L205-E209 PolarHBondContact O-N 3Å; C206-E209 WeakPolarHBondContact O-CB 3.22Å; C206-E209 PolarHBondContact O-N 3.16Å; T207-E209 PolarHBondContact O-N 3Å; E209-F211 VanDerWaalsContact C-N 3.33Å; E209-F211 PolarHBondContact O-N 3.35Å; E209-I212 PolarHBondContact O-N 3.16Å; E209-K213 WeakPolarHBondContact O-CG 3.48Å; E209-K213 PolarHBondContact O-N 2.63Å; E209-K213 VanDerWaalsContact O-N 3.07Å; E209-K213 WeakPolarHBondContact OE1-CD 3.44Å; E209-K213 IonicContact OE1-NZ 3.45Å; E209-K213 PolarHBondContact OE1-NZ 3.34Å; E209-K213 IonicContact OE2-NZ 3.02Å; E209-K213 PolarHBondContact OE2-NZ 2.9Å; E209-D256 PolarHBondContact OE1-N 3.23Å; E209-L259 HydrophobicContact CG-CD2 4.04Å; E209-L259 HydrophobicContact CG-CG 4.27Å; E209-L260 HydrophobicContact CB-CD1 4.14Å; E209-L260 HydrophobicContact CG-CB 4.43Å; E209-L260 HydrophobicContact CG-CD1 4.24Å; E209-L263 HydrophobicContact CB-CD1 3.94Å; E209-Y278 HydrophobicContact CB-CE2 4.39Å; E209-Y278 HydrophobicContact CG-CE2 4.36Å; E209-Y278 WeakPolarHBondContact OE2-CE2 3.32Å; E209-Y278 PolarHBondContact OE2-OH 2.87Å
210	L	90.8	Very high	89.9	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-40	-179.5	-177.4	66.7	0	0	0	112.7	M182 C206 T207 L208 K213 R214 F282 L286	M182-L210 HydrophobicContact CE-CD2 3.98Å; M182-L210 HydrophobicContact SD-CD2 3.87Å; C206-L210 PolarHBondContact O-N 2.92Å; T207-L210 WeakPolarHBondContact O-CB 3.46Å; T207-L210 PolarHBondContact O-N 2.89Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.23Å; L210-K213 VanDerWaalsContact CD1-CE 3.5Å; L210-K213 WeakPolarHBondContact O-CG 3.22Å; L210-R214 VanDerWaalsContact CD1-CZ 3.44Å; L210-R214 WeakPolarHBondContact O-CD 3.29Å; L210-R214 WeakPolarHBondContact O-CG 3.45Å; L210-F282 HydrophobicContact CB-CE1 4.14Å; L210-F282 HydrophobicContact CB-CZ 4.08Å; L210-F282 HydrophobicContact CD2-CE1 4.27Å; L210-F282 HydrophobicContact CD2-CZ 3.81Å; L210-L286 HydrophobicContact CD2-CD1 4.44Å; L210-L286 HydrophobicContact CD2-CD2 3.77Å
211	F	90.7	Very high	89.8	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.009	12%	0.118	C	C	.	.	H	α-helix	trans	-77.7	-43.5	179.6	-83.2	-101.8	0	0	0	111.7	T175 T178 C179 M182 T207 L208 E209 K213 R214 C215 F297 P298	T175-F211 HydrophobicContact CG2-CD1 3.77Å; T175-F211 HydrophobicContact CG2-CE1 4.49Å; T178-F211 HydrophobicContact CG2-CE1 4.03Å; T178-F211 HydrophobicContact CG2-CZ 3.96Å; C179-F211 VanDerWaalsContact CA-CZ 3.5Å; C179-F211 HydrophobicContact CB-CB 4.47Å; C179-F211 HydrophobicContact CB-CD1 3.87Å; C179-F211 HydrophobicContact CB-CD2 3.82Å; C179-F211 HydrophobicContact CB-CE1 4.01Å; C179-F211 HydrophobicContact CB-CE2 3.94Å; C179-F211 HydrophobicContact CB-CG 3.78Å; C179-F211 HydrophobicContact CB-CZ 4.05Å; M182-F211 HydrophobicContact CB-CE2 4.18Å; M182-F211 HydrophobicContact CB-CZ 4.38Å; M182-F211 HydrophobicContact SD-CE2 3.53Å; M182-F211 VanDerWaalsContact SD-CE2 3.53Å; M182-F211 HydrophobicContact SD-CZ 4.04Å; T207-F211 HydrophobicContact CG2-CD2 4.29Å; T207-F211 HydrophobicContact CG2-CE2 4.2Å; T207-F211 WeakPolarHBondContact O-CD2 3.44Å; T207-F211 PolarHBondContact O-N 2.69Å; L208-F211 PolarHBondContact O-N 3.28Å; E209-F211 VanDerWaalsContact C-N 3.33Å; E209-F211 PolarHBondContact O-N 3.35Å; F211-K213 VanDerWaalsContact C-N 3.33Å; F211-K213 PolarHBondContact O-N 3.12Å; F211-R214 PolarHBondContact O-N 3.09Å; F211-R214 VanDerWaalsContact O-N 3.08Å; F211-C215 PolarHBondContact O-N 3.04Å; F211-C215 VanDerWaalsContact O-N 3.09Å; F211-C215 PolarHBondContact O-SG 3.43Å; F211-F297 AromaticContact CD1-CD1 3.93Å; F211-F297 HydrophobicContact CD1-CD1 3.93Å; F211-F297 AromaticContact CD1-CE1 3.73Å; F211-F297 HydrophobicContact CD1-CE1 3.73Å; F211-F297 AromaticContact CE1-CD1 3.99Å; F211-F297 HydrophobicContact CE1-CD1 3.99Å; F211-F297 HydrophobicContact CE1-CE1 4.26Å; F211-F297 HydrophobicContact CG-CE1 4.5Å; F211-P298 HydrophobicContact CZ-CG 4.09Å
212	I	90.3	Very high	89.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-42.7	-178.4	-65.7	164.4	0	0	0	111	I163 F164 L208 E209 R214 C215 L220 Y224 I228 L259 L263	I163-I212 HydrophobicContact CD1-CD1 3.78Å; I163-I212 HydrophobicContact CG1-CD1 4.18Å; I163-I212 HydrophobicContact CG2-CD1 3.74Å; I163-I212 HydrophobicContact CG2-CG1 3.64Å; F164-I212 HydrophobicContact CZ-CG1 4.43Å; L208-I212 HydrophobicContact CB-CD1 4.34Å; L208-I212 WeakPolarHBondContact O-CB 3.45Å; L208-I212 WeakPolarHBondContact O-CD1 3.42Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.5Å; E209-I212 PolarHBondContact O-N 3.16Å; I212-R214 PolarHBondContact O-N 3.27Å; I212-C215 PolarHBondContact O-N 3.46Å; I212-L220 HydrophobicContact CG2-CD1 3.9Å; I212-L220 HydrophobicContact CG2-CD2 4.05Å; I212-Y224 HydrophobicContact CD1-CD1 4.35Å; I212-I228 HydrophobicContact CG2-CD1 4.31Å; I212-L259 HydrophobicContact CB-CD1 4.42Å; I212-L259 HydrophobicContact CB-CD2 4Å; I212-L259 HydrophobicContact CD1-CD1 4.46Å; I212-L259 HydrophobicContact CG2-CD1 3.7Å; I212-L259 HydrophobicContact CG2-CD2 3.82Å; I212-L259 HydrophobicContact CG2-CG 4.4Å; I212-L263 HydrophobicContact CD1-CD1 4.07Å; I212-L263 HydrophobicContact CD1-CD2 3.86Å; I212-L263 HydrophobicContact CD1-CG 4.34Å
213	K	87.4	Confident	89.1	Confident	60 Å²	60	30 Å²	30	26%	0.261	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.3	179	76.2	-175.9	175.9	-157.6	0	113.8	E209 L210 F211 E254 L259 Y278	E209-K213 WeakPolarHBondContact O-CG 3.48Å; E209-K213 PolarHBondContact O-N 2.63Å; E209-K213 VanDerWaalsContact O-N 3.07Å; E209-K213 WeakPolarHBondContact OE1-CD 3.44Å; E209-K213 IonicContact OE1-NZ 3.45Å; E209-K213 PolarHBondContact OE1-NZ 3.34Å; E209-K213 IonicContact OE2-NZ 3.02Å; E209-K213 PolarHBondContact OE2-NZ 2.9Å; L210-K213 VanDerWaalsContact CD1-CE 3.5Å; L210-K213 WeakPolarHBondContact O-CG 3.22Å; F211-K213 VanDerWaalsContact C-N 3.33Å; F211-K213 PolarHBondContact O-N 3.12Å; K213-E254 PolarHBondContact NZ-O 3.33Å; K213-L259 HydrophobicContact CB-CD2 4.05Å; K213-Y278 PolarHBondContact NZ-OH 3.01Å
214	R	86.6	Confident	88.8	Confident	38 Å²	38	30 Å²	30	14%	0.143	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.6	179	-67	179.5	179.9	169.8	3.4	112.8	L210 F211 I212 S294 D296 F297	L210-R214 VanDerWaalsContact CD1-CZ 3.44Å; L210-R214 WeakPolarHBondContact O-CD 3.29Å; L210-R214 WeakPolarHBondContact O-CG 3.45Å; F211-R214 PolarHBondContact O-N 3.09Å; F211-R214 VanDerWaalsContact O-N 3.08Å; I212-R214 PolarHBondContact O-N 3.27Å; R214-S294 PolarHBondContact NH2-O 3.09Å; R214-D296 VanDerWaalsContact CZ-O 3.3Å; R214-D296 PolarHBondContact NH1-O 3Å; R214-F297 VanDerWaalsContact C-CZ 3.46Å; R214-F297 HydrophobicContact CB-CD1 4.43Å; R214-F297 HydrophobicContact CB-CD2 4.39Å; R214-F297 HydrophobicContact CB-CE1 3.9Å; R214-F297 HydrophobicContact CB-CE2 3.88Å; R214-F297 HydrophobicContact CB-CZ 3.61Å; R214-F297 WeakPolarHBondContact O-CE2 3.34Å; R214-F297 WeakPolarHBondContact O-CZ 3.41Å
215	C	85.6	Confident	88.3	Confident	13 Å²	13	33.4 Å²	33.4	9%	0.088	18%	0.182	C	C	.	.	S	Bend	trans	-74.5	151.2	177	-75.1	0	0	0	0	112.3	F211 I212 L220	F211-C215 PolarHBondContact O-N 3.04Å; F211-C215 VanDerWaalsContact O-N 3.09Å; F211-C215 PolarHBondContact O-SG 3.43Å; I212-C215 PolarHBondContact O-N 3.46Å; C215-L220 HydrophobicContact CB-CD1 4.32Å; C215-L220 HydrophobicContact CB-CD2 4.04Å; C215-L220 HydrophobicContact CB-CG 4.17Å
216	S	82.1	Confident	87.7	Confident	53 Å²	53	37.6 Å²	37.6	37%	0.371	21%	0.212	S	C	.	.			trans	-75.3	148.8	172.5	61.7	0	0	0	0	110.7	D218 Q219	S216-D218 WeakPolarHBondContact CB-OD1 3.35Å; S216-D218 PolarHBondContact O-N 2.93Å; S216-D218 VanDerWaalsContact O-N 3.11Å; S216-D218 PolarHBondContact OG-OD1 3.2Å; S216-Q219 WeakPolarHBondContact O-CB 3.27Å; S216-Q219 PolarHBondContact O-N 3.46Å; S216-Q219 WeakPolarHBondContact OG-CG 3.49Å; S216-Q219 PolarHBondContact OG-OE1 3.41Å
217	S	79.2	Confident	87.1	Confident	72 Å²	72	37.8 Å²	37.8	50%	0.503	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-60.2	-27	-172.4	-175.3	0	0	0	0	113.6	Q219 L220 Q225	S217-Q219 VanDerWaalsContact C-N 3.28Å; S217-Q219 PolarHBondContact O-N 3.36Å; S217-L220 PolarHBondContact O-N 2.83Å; S217-Q225 VanDerWaalsContact O-CG 3.3Å; S217-Q225 WeakPolarHBondContact O-CG 3.2Å; S217-Q225 PolarHBondContact O-NE2 3.26Å
218	D	81.9	Confident	86.5	Confident	118 Å²	118	39.8 Å²	39.8	63%	0.631	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-71.6	-18.5	177.6	57.6	-47.2	0	0	0	113.7	S216	S216-D218 WeakPolarHBondContact CB-OD1 3.35Å; S216-D218 PolarHBondContact O-N 2.93Å; S216-D218 VanDerWaalsContact O-N 3.11Å; S216-D218 PolarHBondContact OG-OD1 3.2Å
219	Q	83.3	Confident	85.4	Confident	27 Å²	27	42.2 Å²	42.2	13%	0.126	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-88	-10.2	178.2	-63.6	179.1	-36.7	0	0	113.3	F164 V165 S216 S217	F164-Q219 WeakPolarHBondContact CA-O 3.33Å; V165-Q219 PolarHBondContact N-O 2.96Å; S216-Q219 WeakPolarHBondContact O-CB 3.27Å; S216-Q219 PolarHBondContact O-N 3.46Å; S216-Q219 WeakPolarHBondContact OG-CG 3.49Å; S216-Q219 PolarHBondContact OG-OE1 3.41Å; S217-Q219 VanDerWaalsContact C-N 3.28Å; S217-Q219 PolarHBondContact O-N 3.36Å
220	L	88.4	Confident	83.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-107	149.5	-171.9	-62	176.5	0	0	0	111.7	I163 F164 V165 I212 C215 S217 Q225 I228	I163-L220 HydrophobicContact CG2-CD2 3.93Å; I163-L220 CarbonylContact O-C 3.52Å; I163-L220 WeakPolarHBondContact O-CA 3.45Å; F164-L220 HydrophobicContact CD1-CD2 3.93Å; F164-L220 HydrophobicContact CE1-CD2 3.87Å; V165-L220 WeakPolarHBondContact CG2-O 3.21Å; I212-L220 HydrophobicContact CG2-CD1 3.9Å; I212-L220 HydrophobicContact CG2-CD2 4.05Å; C215-L220 HydrophobicContact CB-CD1 4.32Å; C215-L220 HydrophobicContact CB-CD2 4.04Å; C215-L220 HydrophobicContact CB-CG 4.17Å; S217-L220 PolarHBondContact O-N 2.83Å; L220-Q225 HydrophobicContact CB-CG 3.84Å; L220-Q225 WeakPolarHBondContact O-CG 3.34Å; L220-Q225 PolarHBondContact O-NE2 3.42Å; L220-I228 HydrophobicContact CD1-CD1 3.52Å
221	Q	89.4	Confident	81.8	Confident	70 Å²	70	55.9 Å²	55.9	33%	0.327	31%	0.308	S	S	.	.			trans	-69.3	152.9	170.3	-70	-74.3	-5.4	0	0	110.6	N162 I163 V165 L223 Y224 Q225	N162-Q221 WeakPolarHBondContact O-CB 3.26Å; N162-Q221 WeakPolarHBondContact O-CG 3.33Å; I163-Q221 PolarHBondContact O-N 3.5Å; V165-Q221 HydrophobicContact CG2-CG 4.33Å; Q221-L223 PolarHBondContact O-N 3.48Å; Q221-Y224 PolarHBondContact O-N 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 3.33Å; Q221-Q225 PolarHBondContact O-N 2.9Å
222	P	87	Confident	79.3	Confident	85 Å²	85	63.1 Å²	63.1	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-54.3	-35.3	-170.8	-28.4	34.8	0	0	0	115.4	Y224 Q225 S226	P222-Y224 VanDerWaalsContact C-N 3.33Å; P222-Y224 PolarHBondContact O-N 3.13Å; P222-Q225 PolarHBondContact O-N 3.32Å; P222-S226 PolarHBondContact O-N 2.98Å; P222-S226 PolarHBondContact O-OG 2.97Å; P222-S226 VanDerWaalsContact O-OG 3.06Å
223	L	86	Confident	76.5	Confident	89 Å²	89	68.5 Å²	68.5	47%	0.466	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-42	178	-177.4	148.7	0	0	0	111.6	Q221 S226 A227 T262	Q221-L223 PolarHBondContact O-N 3.48Å; L223-S226 PolarHBondContact O-OG 2.91Å; L223-S226 VanDerWaalsContact O-OG 3.11Å; L223-A227 WeakPolarHBondContact O-CB 3.37Å; L223-A227 PolarHBondContact O-N 3.5Å; L223-T262 HydrophobicContact CD2-CG2 3.31Å; L223-T262 HydrophobicContact CG-CG2 4.3Å
224	Y	87.1	Confident	74.2	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.008	40%	0.403	C	S	.	.	H	α-helix	trans	-83.9	-28.9	-179.3	-67.2	-78.4	0	0	0	112.5	N162 I163 I212 Q221 P222 S226 A227 I228 L259 T262 L263 D266	N162-Y224 WeakPolarHBondContact O-CE2 3.34Å; I163-Y224 HydrophobicContact CB-CD2 4.17Å; I163-Y224 HydrophobicContact CB-CE2 4.17Å; I163-Y224 HydrophobicContact CG1-CD1 4.36Å; I163-Y224 HydrophobicContact CG1-CD2 3.81Å; I163-Y224 HydrophobicContact CG1-CE1 4Å; I163-Y224 HydrophobicContact CG1-CE2 3.39Å; I163-Y224 HydrophobicContact CG1-CG 4.27Å; I163-Y224 VanDerWaalsContact CG1-CZ 3.5Å; I163-Y224 HydrophobicContact CG2-CD2 4.45Å; I163-Y224 HydrophobicContact CG2-CG 4.48Å; I212-Y224 HydrophobicContact CD1-CD1 4.35Å; Q221-Y224 PolarHBondContact O-N 3.29Å; P222-Y224 VanDerWaalsContact C-N 3.33Å; P222-Y224 PolarHBondContact O-N 3.13Å; Y224-S226 VanDerWaalsContact C-N 3.3Å; Y224-S226 PolarHBondContact O-N 3.44Å; Y224-A227 PolarHBondContact O-N 2.89Å; Y224-I228 PolarHBondContact O-N 2.98Å; Y224-L259 HydrophobicContact CD1-CD1 3.94Å; Y224-T262 HydrophobicContact CE1-CG2 4.27Å; Y224-L263 HydrophobicContact CE1-CD2 3.58Å; Y224-L263 HydrophobicContact CE1-CG 4Å; Y224-D266 PolarHBondContact OH-OD2 3.32Å
225	Q	85.1	Confident	72.2	Confident	71 Å²	71	74.9 Å²	74.9	33%	0.332	44%	0.436	S	S	.	.	H	α-helix	trans	-58.6	-41.7	170.9	-66.9	177.5	1.9	0	0	112.5	S217 L220 Q221 P222	S217-Q225 VanDerWaalsContact O-CG 3.3Å; S217-Q225 WeakPolarHBondContact O-CG 3.2Å; S217-Q225 PolarHBondContact O-NE2 3.26Å; L220-Q225 HydrophobicContact CB-CG 3.84Å; L220-Q225 WeakPolarHBondContact O-CG 3.34Å; L220-Q225 PolarHBondContact O-NE2 3.42Å; Q221-Q225 WeakPolarHBondContact O-CG 3.33Å; Q221-Q225 PolarHBondContact O-N 2.9Å; P222-Q225 PolarHBondContact O-N 3.32Å
226	S	83.8	Confident	70	Confident	88 Å²	88	80.6 Å²	80.6	62%	0.615	47%	0.47	S	S	*	.	H	α-helix	trans	-81.9	-18	-178.1	58.9	0	0	0	0	113.8	P222 L223 Y224	P222-S226 PolarHBondContact O-N 2.98Å; P222-S226 PolarHBondContact O-OG 2.97Å; P222-S226 VanDerWaalsContact O-OG 3.06Å; L223-S226 PolarHBondContact O-OG 2.91Å; L223-S226 VanDerWaalsContact O-OG 3.11Å; Y224-S226 VanDerWaalsContact C-N 3.3Å; Y224-S226 PolarHBondContact O-N 3.44Å
227	A	81.6	Confident	68.4	Low	3 Å²	3	89.8 Å²	89.8	3%	0.025	50%	0.497	C	S	.	.	H	α-helix	trans	-82.4	-20.8	-179.7	0	0	0	0	0	113.7	L223 Y224 S229 Q258 L259 T262	L223-A227 WeakPolarHBondContact O-CB 3.37Å; L223-A227 PolarHBondContact O-N 3.5Å; Y224-A227 PolarHBondContact O-N 2.89Å; A227-S229 PolarHBondContact O-N 3.41Å; A227-Q258 WeakPolarHBondContact O-CG 3.12Å; A227-L259 HydrophobicContact CB-CD1 4.41Å; A227-L259 PolarHBondContact O-N 3.43Å; A227-T262 HydrophobicContact CB-CG2 4.04Å
228	I	82.1	Confident	66.5	Low	42 Å²	42	92.5 Å²	92.5	22%	0.215	51%	0.511	C	S	.	.	S	Bend	trans	-72.1	123.8	176.7	-64.7	168.7	0	0	0	109.3	I212 L220 Y224 K230 L259	I212-I228 HydrophobicContact CG2-CD1 4.31Å; L220-I228 HydrophobicContact CD1-CD1 3.52Å; Y224-I228 PolarHBondContact O-N 2.98Å; I228-K230 PolarHBondContact O-N 2.98Å; I228-L259 HydrophobicContact CG1-CD2 4.42Å
229	S	72.1	Confident	64.3	Low	52 Å²	52	92.6 Å²	92.6	36%	0.364	52%	0.521	S	S	.	.			trans	-64	108.9	176.8	-64.5	0	0	0	0	109.5	A227 V231 D256	A227-S229 PolarHBondContact O-N 3.41Å; S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.49Å; S229-D256 WeakPolarHBondContact CB-OD2 3.37Å; S229-D256 PolarHBondContact N-OD2 2.59Å; S229-D256 PolarHBondContact OG-OD1 3.47Å; S229-D256 VanDerWaalsContact OG-OD1 3.12Å; S229-D256 PolarHBondContact OG-OD2 2.74Å
230	K	59.3	Low	62.5	Low	191 Å²	191	103 Å²	103	83%	0.83	56%	0.559	S	S	*	*			trans	-68.7	84.5	176.7	-67.9	-176.4	-178.2	179.4	0	110.8	I228 L232	I228-K230 PolarHBondContact O-N 2.98Å; K230-L232 PolarHBondContact O-N 2.88Å
231	V	49.2	Very low	60.3	Low	98 Å²	98	114.7 Å²	114.7	59%	0.594	60%	0.603	S	S	*	*			trans	-80.8	59.8	168.4	-171.2	0	0	0	0	109.6	S229	S229-V231 VanDerWaalsContact C-N 3.32Å; S229-V231 PolarHBondContact O-N 3.49Å
232	L	38.8	Very low	57.6	Low	153 Å²	153	116.7 Å²	116.7	80%	0.801	63%	0.625	S	S	*	*			trans	-148.9	86.9	168.3	-89	167.8	0	0	0	108.6	K230	K230-L232 PolarHBondContact O-N 2.88Å
233	S	31.5	Very low	55.7	Low	114 Å²	114	121.6 Å²	121.6	80%	0.797	64%	0.64	S	S	*	*			trans	-70.2	123.4	150.2	-61.1	0	0	0	0	106.8
234	P	38.5	Very low	53.4	Low	105 Å²	105	122.6 Å²	122.6	68%	0.682	66%	0.655	S	S	*	*			trans	-63.1	144.4	167.4	-7.2	21.6	0	0	0	107.9	T236	P234-T236 PolarHBondContact O-N 2.73Å
235	P	43.7	Very low	51.2	Low	127 Å²	127	132.2 Å²	132.2	83%	0.825	70%	0.697	S	S	*	*			trans	-64.8	110.5	174.2	26.1	-29.8	0	0	0	108.1	R237	P235-R237 PolarHBondContact O-N 2.83Å; P235-R237 VanDerWaalsContact O-N 3.12Å
236	T	40.9	Very low	48.9	Very low	133 Å²	133	134.2 Å²	134.2	82%	0.816	73%	0.725	S	S	*	*			trans	-56.5	118.5	162.5	6.4	0	0	0	0	107.1	P234 T238	P234-T236 PolarHBondContact O-N 2.73Å; T236-T238 PolarHBondContact O-N 3.31Å
237	R	46.9	Very low	46.6	Very low	245 Å²	245	139.6 Å²	139.6	93%	0.925	74%	0.738	S	S	*	*			trans	-56.6	97.2	-179.1	-176.1	-178.4	178.2	168.5	-0.5	110.8	P235	P235-R237 PolarHBondContact O-N 2.83Å; P235-R237 VanDerWaalsContact O-N 3.12Å
238	T	40.2	Very low	44.5	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	77%	0.774	S	S	*	*			trans	-144.5	118.9	159.9	48	0	0	0	0	113.7	T236	T236-T238 PolarHBondContact O-N 3.31Å
239	S	35.7	Very low	42.4	Very low	121 Å²	121	153.9 Å²	153.9	85%	0.846	81%	0.805	S	S	*	*			trans	60.8	120.3	145.9	-151.2	0	0	0	0	121.9	R241	S239-R241 PolarHBondContact O-N 3.01Å
240	R	45.8	Very low	40.7	Very low	244 Å²	244	157 Å²	157	92%	0.921	83%	0.825	S	S	*	*			trans	-62.2	117.3	161.7	-69.2	176	-178.3	-173.1	-0.4	110.5
241	R	41.7	Very low	39.8	Very low	246 Å²	246	153.4 Å²	153.4	93%	0.928	82%	0.823	S	S	*	*			trans	-169.1	135.5	136.6	-142	168.6	177.7	161.5	-2	113.5	S239	S239-R241 PolarHBondContact O-N 3.01Å
242	S	32.3	Very low	39.9	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	83%	0.825	S	S	*	*			trans	84.3	114.3	149.9	-160	0	0	0	0	119.6
243	Q	47.3	Very low	40.6	Very low	188 Å²	188	152.6 Å²	152.6	88%	0.879	82%	0.817	S	S	*	*			trans	-57.7	137.9	162	-67.3	168.2	-20.4	0	0	111.6
244	S	37.7	Very low	42.3	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	80%	0.799	S	S	*	*				175.1	136.4	129.7	54.6	0	0	0	0	112.4
245	K	40.4	Very low	44.3	Very low	204 Å²	204	147.3 Å²	147.3	89%	0.887	77%	0.772	S	S	*	*			trans	61.5	100.1	167.2	-70.1	-180	176.4	177.3	0	117.6	K247	K245-K247 PolarHBondContact O-N 3.19Å
246	A	37	Very low	46.2	Very low	113 Å²	113	142.1 Å²	142.1	93%	0.934	74%	0.738	S	S	*	*			trans	-55.4	103	164.3	0	0	0	0	0	110.7
247	K	36.7	Very low	48.4	Very low	201 Å²	201	139.6 Å²	139.6	87%	0.874	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-85.5	122.3	163.8	-141.5	171.8	-174.6	178.3	0	106	K245 R249	K245-K247 PolarHBondContact O-N 3.19Å; K247-R249 PolarHBondContact O-N 3.29Å
248	S	37	Very low	50.5	Low	111 Å²	111	132.5 Å²	132.5	78%	0.776	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-50.6	128.3	178	50.2	0	0	0	0	110.5
249	R	37.2	Very low	52.9	Low	233 Å²	233	126.3 Å²	126.3	88%	0.879	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-49.1	134.8	171.9	-137.9	174.5	-172.6	179	-1.8	108.9	K247 S251	K247-R249 PolarHBondContact O-N 3.29Å; R249-S251 PolarHBondContact O-N 3.42Å
250	P	36	Very low	55.6	Low	119 Å²	119	120.6 Å²	120.6	77%	0.773	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.9	128.3	167	-14.7	27.8	0	0	0	108	E252	P250-E252 PolarHBondContact O-N 3.41Å
251	S	40.5	Very low	57.8	Low	114 Å²	114	112.6 Å²	112.6	80%	0.797	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.7	171.4	46.3	0	0	0	0	109.1	R249	R249-S251 PolarHBondContact O-N 3.42Å
252	E	51.1	Low	60.2	Low	138 Å²	138	102.3 Å²	102.3	65%	0.645	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-54.3	143	170.1	-73.7	178.6	172.3	0	0	109.5	P250 E254	P250-E252 PolarHBondContact O-N 3.41Å; E252-E254 PolarHBondContact O-N 3.35Å
253	P	54	Low	63.1	Low	97 Å²	97	97 Å²	97	63%	0.63	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-60.1	126.3	176.2	25	-31.6	0	0	0	109	V255	P253-V255 PolarHBondContact O-N 3Å; P253-V255 VanDerWaalsContact O-N 3.13Å
254	E	68.3	Low	65.2	Low	87 Å²	87	88.1 Å²	88.1	41%	0.407	48%	0.48	S	S	.	.	S	Bend	trans	-59.6	-25.1	-177.5	-161	170.1	-167.3	0	0	112.5	K213 E252 Y278 L283	K213-E254 PolarHBondContact NZ-O 3.33Å; E252-E254 PolarHBondContact O-N 3.35Å; E254-Y278 PolarHBondContact O-OH 3.32Å; E254-L283 HydrophobicContact CG-CD2 3.76Å; E254-L283 WeakPolarHBondContact OE1-CD2 3.46Å; E254-L283 WeakPolarHBondContact OE2-CD1 3.35Å
255	V	79.5	Confident	67.7	Low	21 Å²	21	89.4 Å²	89.4	13%	0.127	47%	0.472	C	S	.	.	S	Bend	trans	-120.8	131.4	177.2	179	0	0	0	0	110.2	P253 V257 L260 Y278	P253-V255 PolarHBondContact O-N 3Å; P253-V255 VanDerWaalsContact O-N 3.13Å; V255-V257 PolarHBondContact O-N 3.11Å; V255-L260 HydrophobicContact CG1-CB 4.37Å; V255-L260 HydrophobicContact CG1-CD2 3.91Å; V255-Y278 HydrophobicContact CB-CE1 4.42Å; V255-Y278 HydrophobicContact CG2-CD1 3.19Å; V255-Y278 HydrophobicContact CG2-CD2 4.1Å; V255-Y278 HydrophobicContact CG2-CE1 3.15Å; V255-Y278 HydrophobicContact CG2-CE2 4.05Å; V255-Y278 HydrophobicContact CG2-CG 3.68Å
256	D	84.2	Confident	70.1	Confident	18 Å²	18	82.6 Å²	82.6	10%	0.096	45%	0.445	C	S	.	.			trans	-80.3	100.2	163.8	-169.8	-31.1	0	0	0	109.6	E209 S229 Q258 L259 L260	E209-D256 PolarHBondContact OE1-N 3.23Å; S229-D256 WeakPolarHBondContact CB-OD2 3.37Å; S229-D256 PolarHBondContact N-OD2 2.59Å; S229-D256 PolarHBondContact OG-OD1 3.47Å; S229-D256 VanDerWaalsContact OG-OD1 3.12Å; S229-D256 PolarHBondContact OG-OD2 2.74Å; D256-Q258 VanDerWaalsContact C-N 3.31Å; D256-Q258 PolarHBondContact O-N 2.99Å; D256-Q258 PolarHBondContact OD1-N 3.33Å; D256-Q258 VanDerWaalsContact OD1-N 3.13Å; D256-L259 HydrophobicContact CB-CB 3.86Å; D256-L259 HydrophobicContact CB-CD2 4.45Å; D256-L259 PolarHBondContact O-N 3.32Å; D256-L259 PolarHBondContact OD1-N 3.31Å; D256-L259 VanDerWaalsContact OD1-N 3.16Å; D256-L260 WeakPolarHBondContact O-CB 3.32Å; D256-L260 PolarHBondContact O-N 3.17Å
257	V	87.9	Confident	72.5	Confident	79 Å²	79	77.4 Å²	77.4	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-38.8	-176	173.2	0	0	0	0	112.1	V255 L260 E261 F271	V255-V257 PolarHBondContact O-N 3.11Å; V257-L260 PolarHBondContact O-N 3.35Å; V257-E261 WeakPolarHBondContact O-CB 3.16Å; V257-E261 PolarHBondContact O-N 2.94Å; V257-F271 HydrophobicContact CG1-CE2 4.25Å; V257-F271 HydrophobicContact CG1-CZ 3.81Å
258	Q	89.3	Confident	75	Confident	96 Å²	96	70.3 Å²	70.3	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-71.1	-40.1	-177.7	-175.6	177.4	-9.9	0	0	110.9	A227 D256 T262	A227-Q258 WeakPolarHBondContact O-CG 3.12Å; D256-Q258 VanDerWaalsContact C-N 3.31Å; D256-Q258 PolarHBondContact O-N 2.99Å; D256-Q258 PolarHBondContact OD1-N 3.33Å; D256-Q258 VanDerWaalsContact OD1-N 3.13Å; Q258-T262 WeakPolarHBondContact O-CB 3.35Å; Q258-T262 PolarHBondContact O-N 3.1Å; Q258-T262 PolarHBondContact O-OG1 3.4Å
259	L	91.1	Very high	77.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-46.7	173.4	175.9	58.8	0	0	0	111.4	E209 I212 K213 Y224 A227 I228 D256 E261 T262 L263	E209-L259 HydrophobicContact CG-CD2 4.04Å; E209-L259 HydrophobicContact CG-CG 4.27Å; I212-L259 HydrophobicContact CB-CD1 4.42Å; I212-L259 HydrophobicContact CB-CD2 4Å; I212-L259 HydrophobicContact CD1-CD1 4.46Å; I212-L259 HydrophobicContact CG2-CD1 3.7Å; I212-L259 HydrophobicContact CG2-CD2 3.82Å; I212-L259 HydrophobicContact CG2-CG 4.4Å; K213-L259 HydrophobicContact CB-CD2 4.05Å; Y224-L259 HydrophobicContact CD1-CD1 3.94Å; A227-L259 HydrophobicContact CB-CD1 4.41Å; A227-L259 PolarHBondContact O-N 3.43Å; I228-L259 HydrophobicContact CG1-CD2 4.42Å; D256-L259 HydrophobicContact CB-CB 3.86Å; D256-L259 HydrophobicContact CB-CD2 4.45Å; D256-L259 PolarHBondContact O-N 3.32Å; D256-L259 PolarHBondContact OD1-N 3.31Å; D256-L259 VanDerWaalsContact OD1-N 3.16Å; L259-E261 PolarHBondContact O-N 3.43Å; L259-T262 WeakPolarHBondContact O-CB 3.36Å; L259-T262 PolarHBondContact O-N 3.11Å; L259-L263 HydrophobicContact CG-CD1 4.41Å; L259-L263 PolarHBondContact O-N 2.9Å
260	L	92.1	Very high	79.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-40.5	179.6	-168.1	65.1	0	0	0	111.8	E209 V255 D256 V257 T262 L263 C264 F271 V274 K275	E209-L260 HydrophobicContact CB-CD1 4.14Å; E209-L260 HydrophobicContact CG-CB 4.43Å; E209-L260 HydrophobicContact CG-CD1 4.24Å; V255-L260 HydrophobicContact CG1-CB 4.37Å; V255-L260 HydrophobicContact CG1-CD2 3.91Å; D256-L260 WeakPolarHBondContact O-CB 3.32Å; D256-L260 PolarHBondContact O-N 3.17Å; V257-L260 PolarHBondContact O-N 3.35Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 2.92Å; L260-L263 PolarHBondContact O-N 3.07Å; L260-C264 WeakPolarHBondContact O-CB 3.5Å; L260-C264 PolarHBondContact O-N 3.01Å; L260-C264 PolarHBondContact O-SG 2.7Å; L260-F271 HydrophobicContact CB-CE2 4.3Å; L260-F271 HydrophobicContact CD2-CE2 4.21Å; L260-F271 HydrophobicContact CG-CE2 4.32Å; L260-V274 HydrophobicContact CD1-CG1 3.74Å; L260-V274 HydrophobicContact CD2-CG1 4.34Å; L260-V274 HydrophobicContact CG-CG1 4.22Å; L260-K275 HydrophobicContact CD2-CB 4.39Å
261	E	92.4	Very high	82.5	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-40.3	175	-165.3	-172.6	174.5	0	0	111.7	V257 L259 C264 K265 F271	V257-E261 WeakPolarHBondContact O-CB 3.16Å; V257-E261 PolarHBondContact O-N 2.94Å; L259-E261 PolarHBondContact O-N 3.43Å; E261-C264 PolarHBondContact O-N 3.01Å; E261-K265 VanDerWaalsContact CD-NZ 3.27Å; E261-K265 HydrophobicContact CG-CD 4.44Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 3.49Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 2.73Å; E261-K265 PolarHBondContact OE1-NZ 3.45Å; E261-K265 IonicContact OE2-NZ 3.3Å; E261-F271 HydrophobicContact CB-CD2 3.97Å; E261-F271 HydrophobicContact CB-CE2 4.15Å; E261-F271 HydrophobicContact CG-CD2 4.25Å
262	T	92.3	Very high	84.7	Confident	30 Å²	30	52.8 Å²	52.8	18%	0.184	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-46.8	176.7	-59.4	0	0	0	0	111.4	L223 Y224 A227 Q258 L259 L260 C264 K265 D266	L223-T262 HydrophobicContact CD2-CG2 3.31Å; L223-T262 HydrophobicContact CG-CG2 4.3Å; Y224-T262 HydrophobicContact CE1-CG2 4.27Å; A227-T262 HydrophobicContact CB-CG2 4.04Å; Q258-T262 WeakPolarHBondContact O-CB 3.35Å; Q258-T262 PolarHBondContact O-N 3.1Å; Q258-T262 PolarHBondContact O-OG1 3.4Å; L259-T262 WeakPolarHBondContact O-CB 3.36Å; L259-T262 PolarHBondContact O-N 3.11Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 2.92Å; T262-C264 VanDerWaalsContact C-N 3.31Å; T262-C264 PolarHBondContact O-N 3.31Å; T262-K265 PolarHBondContact O-N 2.81Å; T262-D266 PolarHBondContact O-N 2.61Å
263	L	92.3	Very high	86.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-43	173.7	-79.2	168.9	0	0	0	111.9	I163 E209 I212 Y224 L259 L260 N267	I163-L263 HydrophobicContact CD1-CD2 4.05Å; E209-L263 HydrophobicContact CB-CD1 3.94Å; I212-L263 HydrophobicContact CD1-CD1 4.07Å; I212-L263 HydrophobicContact CD1-CD2 3.86Å; I212-L263 HydrophobicContact CD1-CG 4.34Å; Y224-L263 HydrophobicContact CE1-CD2 3.58Å; Y224-L263 HydrophobicContact CE1-CG 4Å; L259-L263 HydrophobicContact CG-CD1 4.41Å; L259-L263 PolarHBondContact O-N 2.9Å; L260-L263 PolarHBondContact O-N 3.07Å; L263-N267 VanDerWaalsContact O-CB 3.28Å; L263-N267 WeakPolarHBondContact O-CB 3.32Å; L263-N267 PolarHBondContact O-N 2.79Å; L263-N267 PolarHBondContact O-ND2 2.83Å
264	C	92.8	Very high	88.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-41.1	178.7	-68.6	0	0	0	0	112.1	L260 E261 T262 N267 E268 C269 F271	L260-C264 WeakPolarHBondContact O-CB 3.5Å; L260-C264 PolarHBondContact O-N 3.01Å; L260-C264 PolarHBondContact O-SG 2.7Å; E261-C264 PolarHBondContact O-N 3.01Å; T262-C264 VanDerWaalsContact C-N 3.31Å; T262-C264 PolarHBondContact O-N 3.31Å; C264-N267 CarbonylContact O-C 3.56Å; C264-N267 PolarHBondContact O-N 3.3Å; C264-E268 PolarHBondContact O-N 2.87Å; C264-C269 HydrophobicContact CB-CB 4.4Å; C264-C269 PolarHBondContact O-N 3.29Å; C264-F271 HydrophobicContact CB-CB 4.35Å
265	K	90.6	Very high	89.4	Confident	138 Å²	138	40.4 Å²	40.4	60%	0.6	20%	0.2	S	C	*	.	H	α-helix	trans	-64.7	-48.8	177.3	-74.8	171.8	-177.3	164.7	0	111.8	E261 T262 N267 E268	E261-K265 VanDerWaalsContact CD-NZ 3.27Å; E261-K265 HydrophobicContact CG-CD 4.44Å; E261-K265 WeakPolarHBondContact O-CG 3.46Å; E261-K265 PolarHBondContact O-N 3.49Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 2.73Å; E261-K265 PolarHBondContact OE1-NZ 3.45Å; E261-K265 IonicContact OE2-NZ 3.3Å; T262-K265 PolarHBondContact O-N 2.81Å; K265-N267 PolarHBondContact O-N 3.16Å; K265-E268 PolarHBondContact O-N 3.08Å
266	D	89.3	Confident	89.9	Confident	61 Å²	61	40.5 Å²	40.5	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-29.7	178.9	-168.2	44.4	0	0	0	112.3	Y224 T262	Y224-D266 PolarHBondContact OH-OD2 3.32Å; T262-D266 PolarHBondContact O-N 2.61Å
267	N	88.7	Confident	90.2	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14	179.5	-65.5	-81.4	0	0	0	114.4	R155 T159 F201 L205 L263 C264 K265 C269	R155-N267 PolarHBondContact NE-OD1 3.38Å; R155-N267 PolarHBondContact NH2-OD1 3.17Å; T159-N267 PolarHBondContact OG1-OD1 3.37Å; F201-N267 HydrophobicContact CE1-CB 4.06Å; F201-N267 HydrophobicContact CZ-CB 3.89Å; L205-N267 HydrophobicContact CD1-CB 4.18Å; L205-N267 HydrophobicContact CD2-CB 4.11Å; L263-N267 VanDerWaalsContact O-CB 3.28Å; L263-N267 WeakPolarHBondContact O-CB 3.32Å; L263-N267 PolarHBondContact O-N 2.79Å; L263-N267 PolarHBondContact O-ND2 2.83Å; C264-N267 CarbonylContact O-C 3.56Å; C264-N267 PolarHBondContact O-N 3.3Å; K265-N267 PolarHBondContact O-N 3.16Å; N267-C269 PolarHBondContact O-N 3.4Å; N267-C269 VanDerWaalsContact O-N 3.09Å; N267-C269 PolarHBondContact O-SG 3.38Å
268	E	87.8	Confident	90.3	Very high	53 Å²	53	36 Å²	36	25%	0.248	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	22.3	169.2	-91	-168.2	-128.3	0	0	114	C264 K265 R362 R369	C264-E268 PolarHBondContact O-N 2.87Å; K265-E268 PolarHBondContact O-N 3.08Å; E268-R362 IonicContact OE1-CZ 3.31Å; E268-R362 VanDerWaalsContact OE1-CZ 3.3Å; E268-R362 IonicContact OE1-NE 3.7Å; E268-R362 PolarHBondContact OE1-NE 2.97Å; E268-R362 VanDerWaalsContact OE1-NE 3.12Å; E268-R362 IonicContact OE1-NH2 2.96Å; E268-R362 PolarHBondContact OE1-NH2 3.01Å; E268-R369 PolarHBondContact O-NH2 2.88Å; E268-R369 IonicContact OE2-CZ 2.78Å; E268-R369 VanDerWaalsContact OE2-CZ 3.26Å; E268-R369 IonicContact OE2-NH1 3.61Å; E268-R369 PolarHBondContact OE2-NH1 3.4Å; E268-R369 IonicContact OE2-NH2 3.88Å; E268-R369 PolarHBondContact OE2-NH2 3.41Å
269	C	88.3	Confident	90.3	Very high	17 Å²	17	36.1 Å²	36.1	12%	0.115	17%	0.174	C	C	.	.			trans	-99.3	156.2	-174.6	-72.6	0	0	0	0	113.3	F201 L205 C264 N267 F271 V274	F201-C269 WeakPolarHBondContact CE1-SG 3.39Å; L205-C269 HydrophobicContact CD1-CB 4.12Å; C264-C269 HydrophobicContact CB-CB 4.4Å; C264-C269 PolarHBondContact O-N 3.29Å; N267-C269 PolarHBondContact O-N 3.4Å; N267-C269 VanDerWaalsContact O-N 3.09Å; N267-C269 PolarHBondContact O-SG 3.38Å; C269-F271 PolarHBondContact O-N 3.16Å; C269-V274 HydrophobicContact CB-CG2 4.12Å
270	N	89.3	Confident	90.1	Very high	60 Å²	60	37.6 Å²	37.6	32%	0.321	18%	0.183	S	C	.	.			trans	-77.7	119.1	172.5	-173.7	-100	0	0	0	110.9	E272 E273 V274 R372	N270-E272 VanDerWaalsContact C-N 3.32Å; N270-E272 PolarHBondContact O-N 3.24Å; N270-E272 PolarHBondContact OD1-N 2.92Å; N270-E273 HydrophobicContact CB-CB 4.25Å; N270-E273 HydrophobicContact CB-CG 4.13Å; N270-E273 PolarHBondContact O-N 3.01Å; N270-E273 PolarHBondContact OD1-N 3.47Å; N270-E273 VanDerWaalsContact OD1-N 3.12Å; N270-V274 WeakPolarHBondContact O-CG2 3.35Å; N270-V274 PolarHBondContact O-N 2.83Å; N270-R372 PolarHBondContact ND2-NH1 3.3Å; N270-R372 PolarHBondContact OD1-NH1 2.67Å
271	F	90.3	Very high	89.9	Confident	51 Å²	51	37.7 Å²	37.7	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-55.6	-43.9	-180	169	-101.8	0	0	0	113.1	V257 L260 E261 C264 C269 E273 V274 K275	V257-F271 HydrophobicContact CG1-CE2 4.25Å; V257-F271 HydrophobicContact CG1-CZ 3.81Å; L260-F271 HydrophobicContact CB-CE2 4.3Å; L260-F271 HydrophobicContact CD2-CE2 4.21Å; L260-F271 HydrophobicContact CG-CE2 4.32Å; E261-F271 HydrophobicContact CB-CD2 3.97Å; E261-F271 HydrophobicContact CB-CE2 4.15Å; E261-F271 HydrophobicContact CG-CD2 4.25Å; C264-F271 HydrophobicContact CB-CB 4.35Å; C269-F271 PolarHBondContact O-N 3.16Å; F271-E273 PolarHBondContact O-N 3.03Å; F271-V274 PolarHBondContact O-N 3.34Å; F271-K275 HydrophobicContact CE1-CD 3.84Å; F271-K275 HydrophobicContact CZ-CB 4.41Å; F271-K275 HydrophobicContact CZ-CD 3.85Å; F271-K275 VanDerWaalsContact O-CB 3.28Å; F271-K275 WeakPolarHBondContact O-CB 3.47Å; F271-K275 PolarHBondContact O-N 3.06Å
272	E	88.3	Confident	89.8	Confident	81 Å²	81	34 Å²	34	38%	0.379	17%	0.166	S	C	.	.	H	α-helix	trans	-68.5	-38	-176.5	-158.2	60.4	-151.6	0	0	111.5	N270 K275 N276	N270-E272 VanDerWaalsContact C-N 3.32Å; N270-E272 PolarHBondContact O-N 3.24Å; N270-E272 PolarHBondContact OD1-N 2.92Å; E272-K275 PolarHBondContact O-N 3.43Å; E272-K275 IonicContact OE1-NZ 2.87Å; E272-K275 PolarHBondContact OE1-NZ 3.15Å; E272-K275 IonicContact OE2-NZ 3.93Å; E272-N276 PolarHBondContact O-N 3.37Å; E272-N276 PolarHBondContact O-ND2 3.12Å
273	E	88.7	Confident	89.7	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-50.2	172.5	-71.2	-170.2	162.3	0	0	111.5	Q202 N270 F271 K275 N276 V277 R372 Y484	Q202-E273 PolarHBondContact NE2-OE2 3.42Å; N270-E273 HydrophobicContact CB-CB 4.25Å; N270-E273 HydrophobicContact CB-CG 4.13Å; N270-E273 PolarHBondContact O-N 3.01Å; N270-E273 PolarHBondContact OD1-N 3.47Å; N270-E273 VanDerWaalsContact OD1-N 3.12Å; F271-E273 PolarHBondContact O-N 3.03Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 3.12Å; E273-N276 WeakPolarHBondContact O-CB 3.49Å; E273-N276 PolarHBondContact O-N 3.47Å; E273-N276 VanDerWaalsContact O-N 3.15Å; E273-V277 WeakPolarHBondContact O-CG2 3.47Å; E273-V277 PolarHBondContact O-N 2.9Å; E273-R372 IonicContact OE1-CZ 2.62Å; E273-R372 IonicContact OE1-NH2 3.51Å; E273-R372 PolarHBondContact OE1-NH2 3.37Å; E273-Y484 PolarHBondContact OE1-OH 2.72Å
274	V	91.8	Very high	89.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-40.9	-179.4	-179.9	0	0	0	0	111.4	Q202 L205 L260 C269 N270 F271 N276 V277 Y278	Q202-V274 HydrophobicContact CB-CG2 4.12Å; Q202-V274 HydrophobicContact CG-CG2 3.89Å; L205-V274 HydrophobicContact CB-CG1 4.25Å; L205-V274 HydrophobicContact CD1-CG2 4.21Å; L260-V274 HydrophobicContact CD1-CG1 3.74Å; L260-V274 HydrophobicContact CD2-CG1 4.34Å; L260-V274 HydrophobicContact CG-CG1 4.22Å; C269-V274 HydrophobicContact CB-CG2 4.12Å; N270-V274 WeakPolarHBondContact O-CG2 3.35Å; N270-V274 PolarHBondContact O-N 2.83Å; F271-V274 PolarHBondContact O-N 3.34Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.18Å; V274-V277 WeakPolarHBondContact O-CA 3.28Å; V274-V277 WeakPolarHBondContact O-CB 3.12Å; V274-V277 PolarHBondContact O-N 3.12Å; V274-V277 VanDerWaalsContact O-N 3.09Å; V274-Y278 PolarHBondContact O-N 3.22Å
275	K	91	Very high	89.3	Confident	60 Å²	60	35.5 Å²	35.5	26%	0.261	18%	0.177	S	C	.	.	H	α-helix	trans	-60.9	-40.5	175.3	179.1	-175.8	165.7	-154.2	0	112	L260 F271 E272 E273 V277 Y278 Q279	L260-K275 HydrophobicContact CD2-CB 4.39Å; F271-K275 HydrophobicContact CE1-CD 3.84Å; F271-K275 HydrophobicContact CZ-CB 4.41Å; F271-K275 HydrophobicContact CZ-CD 3.85Å; F271-K275 VanDerWaalsContact O-CB 3.28Å; F271-K275 WeakPolarHBondContact O-CB 3.47Å; F271-K275 PolarHBondContact O-N 3.06Å; E272-K275 PolarHBondContact O-N 3.43Å; E272-K275 IonicContact OE1-NZ 2.87Å; E272-K275 PolarHBondContact OE1-NZ 3.15Å; E272-K275 IonicContact OE2-NZ 3.93Å; E273-K275 VanDerWaalsContact C-N 3.33Å; E273-K275 PolarHBondContact O-N 3.12Å; K275-V277 VanDerWaalsContact C-N 3.32Å; K275-Y278 WeakPolarHBondContact O-CB 3.28Å; K275-Y278 PolarHBondContact O-N 2.79Å; K275-Q279 WeakPolarHBondContact O-CG 3.47Å; K275-Q279 PolarHBondContact O-N 3.44Å
276	N	88.9	Confident	89.3	Confident	23 Å²	23	29.1 Å²	29.1	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-65.9	-36.5	173.6	-75.4	-66.3	0	0	0	111.6	E272 E273 V274 Y278 Q279 T280 Y427 Q430	E272-N276 PolarHBondContact O-N 3.37Å; E272-N276 PolarHBondContact O-ND2 3.12Å; E273-N276 WeakPolarHBondContact O-CB 3.49Å; E273-N276 PolarHBondContact O-N 3.47Å; E273-N276 VanDerWaalsContact O-N 3.15Å; V274-N276 VanDerWaalsContact C-N 3.32Å; V274-N276 PolarHBondContact O-N 3.18Å; N276-Y278 VanDerWaalsContact C-N 3.3Å; N276-Y278 PolarHBondContact O-N 3.3Å; N276-Q279 PolarHBondContact O-N 3.32Å; N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 WeakPolarHBondContact O-CG2 3.13Å; N276-T280 PolarHBondContact O-N 2.95Å; N276-T280 PolarHBondContact O-OG1 2.87Å; N276-Y427 HydrophobicContact CB-CE1 4.27Å; N276-Q430 PolarHBondContact ND2-NE2 3.04Å
277	V	90.2	Very high	89.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-43.6	172.6	177.2	0	0	0	0	112.2	I199 Q202 L203 E273 V274 K275 S281 F282 Y427	I199-V277 HydrophobicContact CG2-CG2 4.41Å; Q202-V277 HydrophobicContact CB-CB 4.34Å; Q202-V277 HydrophobicContact CB-CG1 4.42Å; Q202-V277 HydrophobicContact CB-CG2 3.86Å; L203-V277 HydrophobicContact CB-CG1 4.11Å; L203-V277 HydrophobicContact CD1-CG1 4.08Å; E273-V277 WeakPolarHBondContact O-CG2 3.47Å; E273-V277 PolarHBondContact O-N 2.9Å; V274-V277 WeakPolarHBondContact O-CA 3.28Å; V274-V277 WeakPolarHBondContact O-CB 3.12Å; V274-V277 PolarHBondContact O-N 3.12Å; V274-V277 VanDerWaalsContact O-N 3.09Å; K275-V277 VanDerWaalsContact C-N 3.32Å; V277-S281 PolarHBondContact O-N 3.35Å; V277-S281 VanDerWaalsContact O-N 3.13Å; V277-F282 PolarHBondContact O-N 3.03Å; V277-Y427 WeakPolarHBondContact CA-OH 3.37Å; V277-Y427 HydrophobicContact CB-CE1 4.35Å; V277-Y427 HydrophobicContact CG2-CD1 4.42Å; V277-Y427 HydrophobicContact CG2-CE1 3.47Å; V277-Y427 VanDerWaalsContact CG2-CE1 3.47Å; V277-Y427 WeakPolarHBondContact CG2-OH 3.42Å
278	Y	91.3	Very high	89.2	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.179	C	C	.	.	I	π-helix	trans	-57.2	-57.6	174.3	-153.6	-70.6	0	0	0	110.7	C206 E209 K213 E254 V255 V274 K275 N276 T280 F282 L283	C206-Y278 HydrophobicContact CB-CD2 3.64Å; C206-Y278 HydrophobicContact CB-CE2 4.14Å; C206-Y278 HydrophobicContact CB-CG 4.44Å; E209-Y278 HydrophobicContact CB-CE2 4.39Å; E209-Y278 HydrophobicContact CG-CE2 4.36Å; E209-Y278 WeakPolarHBondContact OE2-CE2 3.32Å; E209-Y278 PolarHBondContact OE2-OH 2.87Å; K213-Y278 PolarHBondContact NZ-OH 3.01Å; E254-Y278 PolarHBondContact O-OH 3.32Å; V255-Y278 HydrophobicContact CB-CE1 4.42Å; V255-Y278 HydrophobicContact CG2-CD1 3.19Å; V255-Y278 HydrophobicContact CG2-CD2 4.1Å; V255-Y278 HydrophobicContact CG2-CE1 3.15Å; V255-Y278 HydrophobicContact CG2-CE2 4.05Å; V255-Y278 HydrophobicContact CG2-CG 3.68Å; V274-Y278 PolarHBondContact O-N 3.22Å; K275-Y278 WeakPolarHBondContact O-CB 3.28Å; K275-Y278 PolarHBondContact O-N 2.79Å; N276-Y278 VanDerWaalsContact C-N 3.3Å; N276-Y278 PolarHBondContact O-N 3.3Å; Y278-T280 PolarHBondContact O-N 3.41Å; Y278-F282 HydrophobicContact CD1-CD1 4.18Å; Y278-F282 AromaticContact CD2-CD1 3.92Å; Y278-F282 HydrophobicContact CD2-CD1 3.92Å; Y278-F282 AromaticContact CE1-CD1 3.93Å; Y278-F282 HydrophobicContact CE1-CD1 3.93Å; Y278-F282 HydrophobicContact CE1-CE1 4.47Å; Y278-F282 AromaticContact CE2-CD1 3.68Å; Y278-F282 HydrophobicContact CE2-CD1 3.68Å; Y278-F282 AromaticContact CE2-CE1 3.87Å; Y278-F282 HydrophobicContact CE2-CE1 3.87Å; Y278-F282 HydrophobicContact CG-CD1 4.19Å; Y278-F282 AromaticContact CZ-CD1 3.71Å; Y278-F282 AromaticContact CZ-CE1 3.87Å; Y278-F282 PolarHBondContact O-N 3.35Å; Y278-L283 HydrophobicContact CD1-CD2 3.85Å; Y278-L283 HydrophobicContact CD1-CG 3.88Å; Y278-L283 HydrophobicContact CE1-CD2 3.51Å; Y278-L283 HydrophobicContact CE1-CG 4.08Å; Y278-L283 WeakPolarHBondContact O-CG 3.27Å; Y278-L283 PolarHBondContact O-N 3.43Å
279	Q	89.1	Confident	88.9	Confident	99 Å²	99	32.1 Å²	32.1	46%	0.463	17%	0.172	S	C	.	.	I	π-helix	trans	-66.9	-35.2	-170.5	-71.7	177.5	-23.1	0	0	114.4	K275 N276	K275-Q279 WeakPolarHBondContact O-CG 3.47Å; K275-Q279 PolarHBondContact O-N 3.44Å; N276-Q279 PolarHBondContact O-N 3.32Å
280	T	86.4	Confident	88.6	Confident	32 Å²	32	38.2 Å²	38.2	20%	0.196	20%	0.204	C	C	.	.	I	π-helix	trans	-97.7	-38.5	-171.3	60.5	0	0	0	0	113.2	N276 Y278 H423 V426 Y427	N276-T280 WeakPolarHBondContact O-CB 3.42Å; N276-T280 WeakPolarHBondContact O-CG2 3.13Å; N276-T280 PolarHBondContact O-N 2.95Å; N276-T280 PolarHBondContact O-OG1 2.87Å; Y278-T280 PolarHBondContact O-N 3.41Å; T280-H423 WeakPolarHBondContact O-CB 3.37Å; T280-V426 HydrophobicContact CG2-CB 4.37Å; T280-V426 HydrophobicContact CG2-CG2 4Å; T280-Y427 PolarHBondContact OG1-OH 3Å
281	S	88.1	Confident	88.2	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.195	C	C	.	.	I	π-helix	trans	-111.5	-48.1	-170	-56.8	0	0	0	0	111.7	V277 F285 Y427	V277-S281 PolarHBondContact O-N 3.35Å; V277-S281 VanDerWaalsContact O-N 3.13Å; S281-F285 PolarHBondContact O-N 3.43Å; S281-F285 VanDerWaalsContact O-N 3.12Å; S281-Y427 PolarHBondContact OG-OH 3.4Å
282	F	91.1	Very high	87.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	I	π-helix	trans	-70.7	-42.4	-177.8	-169.4	-122	0	0	0	112.2	L203 C206 L210 V277 Y278 F285 L286	L203-F282 HydrophobicContact CD1-CB 3.93Å; L203-F282 HydrophobicContact CD1-CD2 3.79Å; L203-F282 HydrophobicContact CD1-CG 4.26Å; C206-F282 HydrophobicContact CB-CB 4.11Å; C206-F282 HydrophobicContact CB-CD1 3.74Å; C206-F282 HydrophobicContact CB-CD2 4.26Å; C206-F282 HydrophobicContact CB-CE1 4.16Å; C206-F282 HydrophobicContact CB-CG 3.78Å; C206-F282 WeakPolarHBondContact O-CE1 3.32Å; L210-F282 HydrophobicContact CB-CE1 4.14Å; L210-F282 HydrophobicContact CB-CZ 4.08Å; L210-F282 HydrophobicContact CD2-CE1 4.27Å; L210-F282 HydrophobicContact CD2-CZ 3.81Å; V277-F282 PolarHBondContact O-N 3.03Å; Y278-F282 HydrophobicContact CD1-CD1 4.18Å; Y278-F282 AromaticContact CD2-CD1 3.92Å; Y278-F282 HydrophobicContact CD2-CD1 3.92Å; Y278-F282 AromaticContact CE1-CD1 3.93Å; Y278-F282 HydrophobicContact CE1-CD1 3.93Å; Y278-F282 HydrophobicContact CE1-CE1 4.47Å; Y278-F282 AromaticContact CE2-CD1 3.68Å; Y278-F282 HydrophobicContact CE2-CD1 3.68Å; Y278-F282 AromaticContact CE2-CE1 3.87Å; Y278-F282 HydrophobicContact CE2-CE1 3.87Å; Y278-F282 HydrophobicContact CG-CD1 4.19Å; Y278-F282 AromaticContact CZ-CD1 3.71Å; Y278-F282 AromaticContact CZ-CE1 3.87Å; Y278-F282 PolarHBondContact O-N 3.35Å; F282-F285 HydrophobicContact CD2-CD1 4.07Å; F282-F285 HydrophobicContact CE2-CD1 4.06Å; F282-F285 HydrophobicContact CE2-CE1 4.33Å; F282-F285 WeakPolarHBondContact O-CB 3.5Å; F282-F285 PolarHBondContact O-N 2.62Å; F282-L286 HydrophobicContact CD1-CD1 3.95Å; F282-L286 HydrophobicContact CD1-CG 4.31Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CD2 4.35Å; F282-L286 HydrophobicContact CE1-CG 4.13Å; F282-L286 HydrophobicContact CE2-CD2 4.33Å; F282-L286 HydrophobicContact CZ-CD1 4.19Å; F282-L286 HydrophobicContact CZ-CD2 4.01Å; F282-L286 HydrophobicContact CZ-CG 4.23Å; F282-L286 WeakPolarHBondContact O-CG 2.99Å; F282-L286 PolarHBondContact O-N 2.88Å
283	L	89.2	Confident	86.2	Confident	23 Å²	23	42.9 Å²	42.9	12%	0.12	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-45.8	175.6	-73.4	-173.3	0	0	0	112.5	E254 Y278 F285 L286 D287	E254-L283 HydrophobicContact CG-CD2 3.76Å; E254-L283 WeakPolarHBondContact OE1-CD2 3.46Å; E254-L283 WeakPolarHBondContact OE2-CD1 3.35Å; Y278-L283 HydrophobicContact CD1-CD2 3.85Å; Y278-L283 HydrophobicContact CD1-CG 3.88Å; Y278-L283 HydrophobicContact CE1-CD2 3.51Å; Y278-L283 HydrophobicContact CE1-CG 4.08Å; Y278-L283 WeakPolarHBondContact O-CG 3.27Å; Y278-L283 PolarHBondContact O-N 3.43Å; L283-F285 PolarHBondContact O-N 2.63Å; L283-L286 HydrophobicContact CD2-CD1 4.32Å; L283-L286 PolarHBondContact O-N 3.02Å; L283-D287 WeakPolarHBondContact O-CB 3.47Å; L283-D287 PolarHBondContact O-N 3.27Å
284	A	88.1	Confident	85.4	Confident	33 Å²	33	44.7 Å²	44.7	27%	0.273	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-37	175.5	0	0	0	0	0	112	S288	A284-S288 PolarHBondContact O-N 3.02Å; A284-S288 VanDerWaalsContact O-N 3.1Å
285	F	89.9	Confident	84.2	Confident	7 Å²	7	49.6 Å²	49.6	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-45.7	172.1	165	-104.3	0	0	0	112.5	M182 L185 A186 R189 S281 F282 L283 D287 S288 M289	M182-F285 HydrophobicContact CE-CE1 4.19Å; M182-F285 HydrophobicContact CG-CE1 4.15Å; M182-F285 HydrophobicContact CG-CZ 4.3Å; L185-F285 HydrophobicContact CB-CZ 4.43Å; L185-F285 HydrophobicContact CD2-CE2 4.42Å; L185-F285 HydrophobicContact CD2-CZ 4.42Å; L185-F285 HydrophobicContact CG-CE2 4.04Å; L185-F285 HydrophobicContact CG-CZ 4.27Å; A186-F285 HydrophobicContact CB-CD1 3.66Å; A186-F285 HydrophobicContact CB-CD2 4.23Å; A186-F285 HydrophobicContact CB-CE1 3.51Å; A186-F285 HydrophobicContact CB-CE2 4.1Å; A186-F285 HydrophobicContact CB-CG 4Å; A186-F285 HydrophobicContact CB-CZ 3.73Å; R189-F285 HydrophobicContact CB-CD2 4.32Å; S281-F285 PolarHBondContact O-N 3.43Å; S281-F285 VanDerWaalsContact O-N 3.12Å; F282-F285 HydrophobicContact CD2-CD1 4.07Å; F282-F285 HydrophobicContact CE2-CD1 4.06Å; F282-F285 HydrophobicContact CE2-CE1 4.33Å; F282-F285 WeakPolarHBondContact O-CB 3.5Å; F282-F285 PolarHBondContact O-N 2.62Å; L283-F285 PolarHBondContact O-N 2.63Å; F285-D287 VanDerWaalsContact C-N 3.33Å; F285-D287 PolarHBondContact O-N 3.4Å; F285-S288 WeakPolarHBondContact O-CB 3.35Å; F285-S288 PolarHBondContact O-N 2.74Å; F285-S288 VanDerWaalsContact O-N 3.15Å; F285-S288 PolarHBondContact O-OG 3.26Å; F285-M289 HydrophobicContact CE1-CE 3.57Å; F285-M289 HydrophobicContact CE1-SD 4.41Å; F285-M289 HydrophobicContact CE2-CE 3.89Å; F285-M289 HydrophobicContact CE2-CG 4.21Å; F285-M289 HydrophobicContact CE2-SD 3.62Å; F285-M289 HydrophobicContact CZ-CE 3.2Å; F285-M289 HydrophobicContact CZ-CG 4.45Å; F285-M289 HydrophobicContact CZ-SD 3.53Å; F285-M289 VanDerWaalsContact CZ-SD 3.53Å; F285-M289 PolarHBondContact O-N 3.03Å
286	L	89.3	Confident	83.4	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-39.8	177.9	-68.1	-178.2	0	0	0	112.2	M182 L210 F282 L283 S288 M289 D290 L291	M182-L286 HydrophobicContact CE-CD2 3.86Å; L210-L286 HydrophobicContact CD2-CD1 4.44Å; L210-L286 HydrophobicContact CD2-CD2 3.77Å; F282-L286 HydrophobicContact CD1-CD1 3.95Å; F282-L286 HydrophobicContact CD1-CG 4.31Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CD2 4.35Å; F282-L286 HydrophobicContact CE1-CG 4.13Å; F282-L286 HydrophobicContact CE2-CD2 4.33Å; F282-L286 HydrophobicContact CZ-CD1 4.19Å; F282-L286 HydrophobicContact CZ-CD2 4.01Å; F282-L286 HydrophobicContact CZ-CG 4.23Å; F282-L286 WeakPolarHBondContact O-CG 2.99Å; F282-L286 PolarHBondContact O-N 2.88Å; L283-L286 HydrophobicContact CD2-CD1 4.32Å; L283-L286 PolarHBondContact O-N 3.02Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 2.86Å; L286-M289 CarbonylContact O-C 3.47Å; L286-M289 PolarHBondContact O-N 3.41Å; L286-M289 VanDerWaalsContact O-N 3.16Å; L286-D290 PolarHBondContact O-N 3.08Å; L286-D290 VanDerWaalsContact O-N 3.16Å; L286-L291 HydrophobicContact CD2-CB 4.27Å; L286-L291 PolarHBondContact O-N 3.33Å
287	D	88.1	Confident	82.7	Confident	87 Å²	87	54.8 Å²	54.8	47%	0.465	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-38.8	173.4	-75.4	-26.3	0	0	0	111.4	L283 F285 M289 D290 S292	L283-D287 WeakPolarHBondContact O-CB 3.47Å; L283-D287 PolarHBondContact O-N 3.27Å; F285-D287 VanDerWaalsContact C-N 3.33Å; F285-D287 PolarHBondContact O-N 3.4Å; D287-M289 PolarHBondContact O-N 3.44Å; D287-M289 VanDerWaalsContact O-N 3.14Å; D287-D290 PolarHBondContact O-N 3.18Å; D287-D290 VanDerWaalsContact O-N 3.13Å; D287-S292 WeakPolarHBondContact OD1-CB 3.42Å; D287-S292 PolarHBondContact OD1-OG 3.31Å
288	S	87.6	Confident	82.2	Confident	71 Å²	71	55 Å²	55	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-15	176.3	81.3	0	0	0	0	114.4	A284 F285 L286	A284-S288 PolarHBondContact O-N 3.02Å; A284-S288 VanDerWaalsContact O-N 3.1Å; F285-S288 WeakPolarHBondContact O-CB 3.35Å; F285-S288 PolarHBondContact O-N 2.74Å; F285-S288 VanDerWaalsContact O-N 3.15Å; F285-S288 PolarHBondContact O-OG 3.26Å; L286-S288 VanDerWaalsContact C-N 3.31Å; L286-S288 PolarHBondContact O-N 2.86Å
289	M	82.8	Confident	81.8	Confident	22 Å²	22	61.7 Å²	61.7	11%	0.108	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	9.2	177	-56.4	-159.4	-48.3	0	0	112.7	M182 L185 F285 L286 D287 L291	M182-M289 HydrophobicContact CE-CE 3.3Å; M182-M289 HydrophobicContact CG-CE 4.44Å; L185-M289 HydrophobicContact CD2-SD 3.7Å; F285-M289 HydrophobicContact CE1-CE 3.57Å; F285-M289 HydrophobicContact CE1-SD 4.41Å; F285-M289 HydrophobicContact CE2-CE 3.89Å; F285-M289 HydrophobicContact CE2-CG 4.21Å; F285-M289 HydrophobicContact CE2-SD 3.62Å; F285-M289 HydrophobicContact CZ-CE 3.2Å; F285-M289 HydrophobicContact CZ-CG 4.45Å; F285-M289 HydrophobicContact CZ-SD 3.53Å; F285-M289 VanDerWaalsContact CZ-SD 3.53Å; F285-M289 PolarHBondContact O-N 3.03Å; L286-M289 CarbonylContact O-C 3.47Å; L286-M289 PolarHBondContact O-N 3.41Å; L286-M289 VanDerWaalsContact O-N 3.16Å; D287-M289 PolarHBondContact O-N 3.44Å; D287-M289 VanDerWaalsContact O-N 3.14Å; M289-L291 HydrophobicContact CB-CD1 4.2Å; M289-L291 HydrophobicContact CB-CG 4.11Å; M289-L291 HydrophobicContact CE-CD1 3.57Å; M289-L291 WeakPolarHBondContact O-CG 3.47Å; M289-L291 PolarHBondContact O-N 3.17Å; M289-L291 VanDerWaalsContact O-N 3.17Å
290	D	80.6	Confident	81.6	Confident	146 Å²	146	58.8 Å²	58.8	78%	0.781	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	26.6	-175.9	-62.9	-50.2	0	0	0	114.5	L286 D287	L286-D290 PolarHBondContact O-N 3.08Å; L286-D290 VanDerWaalsContact O-N 3.16Å; D287-D290 PolarHBondContact O-N 3.18Å; D287-D290 VanDerWaalsContact O-N 3.13Å
291	L	80.4	Confident	81.6	Confident	27 Å²	27	63.4 Å²	63.4	14%	0.141	33%	0.334	C	S	.	.			trans	-99.7	-9.7	-175.8	-70.1	-178	0	0	0	114.8	M182 L286 M289 R293 S294 P298	M182-L291 HydrophobicContact CE-CD1 3.26Å; L286-L291 HydrophobicContact CD2-CB 4.27Å; L286-L291 PolarHBondContact O-N 3.33Å; M289-L291 HydrophobicContact CB-CD1 4.2Å; M289-L291 HydrophobicContact CB-CG 4.11Å; M289-L291 HydrophobicContact CE-CD1 3.57Å; M289-L291 WeakPolarHBondContact O-CG 3.47Å; M289-L291 PolarHBondContact O-N 3.17Å; M289-L291 VanDerWaalsContact O-N 3.17Å; L291-R293 PolarHBondContact O-N 3.08Å; L291-S294 PolarHBondContact O-N 3.34Å; L291-P298 HydrophobicContact CD1-CB 4Å; L291-P298 HydrophobicContact CD1-CG 4.07Å
292	S	69.3	Low	81.6	Confident	28 Å²	28	67 Å²	67	20%	0.196	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	-178.7	53.4	0	0	0	0	113.2	D287	D287-S292 WeakPolarHBondContact OD1-CB 3.42Å; D287-S292 PolarHBondContact OD1-OG 3.31Å
293	R	67.9	Low	81.6	Confident	235 Å²	235	67.1 Å²	67.1	89%	0.887	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-0.6	-178.9	-59	-177	-177.2	-179.8	2.2	114.5	L291	L291-R293 PolarHBondContact O-N 3.08Å
294	S	72.2	Confident	81.7	Confident	39 Å²	39	68 Å²	68	27%	0.273	36%	0.358	S	S	.	.			trans	-87.6	134.9	-178.8	-177.5	0	0	0	0	111.1	R214 L291 D296	R214-S294 PolarHBondContact NH2-O 3.09Å; L291-S294 PolarHBondContact O-N 3.34Å; S294-D296 PolarHBondContact OG-N 2.71Å
295	T	66.9	Low	82	Confident	104 Å²	104	72 Å²	72	64%	0.638	37%	0.371	S	S	*	.			trans	-87.4	-14.3	169.9	49.2	0	0	0	0	112.4
296	D	73.3	Confident	82.1	Confident	112 Å²	112	73.3 Å²	73.3	60%	0.599	38%	0.377	S	S	*	.	S	Bend	trans	-85.5	158	-174.1	-62.7	-29.4	0	0	0	111.9	R214 S294	R214-D296 VanDerWaalsContact CZ-O 3.3Å; R214-D296 PolarHBondContact NH1-O 3Å; S294-D296 PolarHBondContact OG-N 2.71Å
297	F	75.1	Confident	82.3	Confident	79 Å²	79	73.8 Å²	73.8	35%	0.346	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61	142.3	171.2	-81.7	-83.1	0	0	0	110.7	T175 F211 R214 Q299	T175-F297 HydrophobicContact CG2-CE1 4.06Å; F211-F297 AromaticContact CD1-CD1 3.93Å; F211-F297 HydrophobicContact CD1-CD1 3.93Å; F211-F297 AromaticContact CD1-CE1 3.73Å; F211-F297 HydrophobicContact CD1-CE1 3.73Å; F211-F297 AromaticContact CE1-CD1 3.99Å; F211-F297 HydrophobicContact CE1-CD1 3.99Å; F211-F297 HydrophobicContact CE1-CE1 4.26Å; F211-F297 HydrophobicContact CG-CE1 4.5Å; R214-F297 VanDerWaalsContact C-CZ 3.46Å; R214-F297 HydrophobicContact CB-CD1 4.43Å; R214-F297 HydrophobicContact CB-CD2 4.39Å; R214-F297 HydrophobicContact CB-CE1 3.9Å; R214-F297 HydrophobicContact CB-CE2 3.88Å; R214-F297 HydrophobicContact CB-CZ 3.61Å; R214-F297 WeakPolarHBondContact O-CE2 3.34Å; R214-F297 WeakPolarHBondContact O-CZ 3.41Å; F297-Q299 PolarHBondContact O-N 3.31Å
298	P	80.4	Confident	82.6	Confident	6 Å²	6	72.8 Å²	72.8	4%	0.039	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-56.7	136.1	170.2	-17.8	30.6	0	0	0	109.8	M182 F211 L291 V300 V303	M182-P298 HydrophobicContact CE-CB 4.22Å; M182-P298 HydrophobicContact CE-CG 3.69Å; M182-P298 HydrophobicContact SD-CB 4.43Å; M182-P298 HydrophobicContact SD-CG 3.69Å; F211-P298 HydrophobicContact CZ-CG 4.09Å; L291-P298 HydrophobicContact CD1-CB 4Å; L291-P298 HydrophobicContact CD1-CG 4.07Å; P298-V300 PolarHBondContact O-N 2.75Å; P298-V303 HydrophobicContact CB-CG2 3.71Å
299	Q	82.4	Confident	82.9	Confident	140 Å²	140	74.8 Å²	74.8	65%	0.654	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-65.2	120.7	178.6	-71.3	-67.4	-27.4	0	0	109.9	F297 N301 D302 V303	F297-Q299 PolarHBondContact O-N 3.31Å; Q299-N301 VanDerWaalsContact C-N 3.27Å; Q299-N301 PolarHBondContact O-N 2.96Å; Q299-D302 HydrophobicContact CB-CB 4.11Å; Q299-D302 PolarHBondContact O-N 3.29Å; Q299-D302 VanDerWaalsContact O-N 3.12Å; Q299-V303 PolarHBondContact O-N 3.13Å; Q299-V303 VanDerWaalsContact O-N 3.11Å
300	V	84.1	Confident	83.2	Confident	39 Å²	39	76.4 Å²	76.4	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-55.4	-42.6	-173.6	-176.3	0	0	0	0	111.7	T178 P298 N304	T178-V300 HydrophobicContact CG2-CG2 4.11Å; T178-V300 WeakPolarHBondContact OG1-CG2 3.41Å; P298-V300 PolarHBondContact O-N 2.75Å; V300-N304 VanDerWaalsContact O-CB 3.29Å; V300-N304 WeakPolarHBondContact O-CB 3.41Å; V300-N304 VanDerWaalsContact O-CG 3.31Å; V300-N304 PolarHBondContact O-N 3.04Å; V300-N304 PolarHBondContact O-ND2 3.31Å
301	N	86.9	Confident	83.8	Confident	129 Å²	129	70 Å²	70	69%	0.69	35%	0.345	S	S	*	.	H	α-helix	trans	-66.5	-40	-179	-68.9	-20.5	0	0	0	112.6	Q299 Q305	Q299-N301 VanDerWaalsContact C-N 3.27Å; Q299-N301 PolarHBondContact O-N 2.96Å; N301-Q305 VanDerWaalsContact O-CB 3.28Å; N301-Q305 WeakPolarHBondContact O-CB 3.44Å; N301-Q305 PolarHBondContact O-N 2.79Å
302	D	88.1	Confident	84.3	Confident	77 Å²	77	72.7 Å²	72.7	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-67.7	-47.6	179.8	-179.9	32	0	0	0	110.9	Q299 N304 Q305 Q306	Q299-D302 HydrophobicContact CB-CB 4.11Å; Q299-D302 PolarHBondContact O-N 3.29Å; Q299-D302 VanDerWaalsContact O-N 3.12Å; D302-N304 VanDerWaalsContact C-N 3.34Å; D302-N304 PolarHBondContact O-N 3.25Å; D302-Q305 PolarHBondContact O-N 2.92Å; D302-Q306 VanDerWaalsContact CG-NE2 3.3Å; D302-Q306 WeakPolarHBondContact O-CB 3.34Å; D302-Q306 WeakPolarHBondContact O-CG 3.34Å; D302-Q306 PolarHBondContact O-N 3.32Å; D302-Q306 PolarHBondContact OD1-NE2 3.15Å; D302-Q306 PolarHBondContact OD2-NE2 3.12Å
303	V	90.4	Very high	85.3	Confident	2 Å²	2	80 Å²	80	1%	0.012	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-43.2	176.5	178.9	0	0	0	0	111.4	T181 M182 P298 Q299 Y307	T181-V303 HydrophobicContact CG2-CG1 3.91Å; M182-V303 HydrophobicContact CB-CG1 4.13Å; P298-V303 HydrophobicContact CB-CG2 3.71Å; Q299-V303 PolarHBondContact O-N 3.13Å; Q299-V303 VanDerWaalsContact O-N 3.11Å; V303-Y307 WeakPolarHBondContact O-CB 3.44Å; V303-Y307 PolarHBondContact O-N 3.32Å
304	N	91.9	Very high	86.2	Confident	42 Å²	42	71.1 Å²	71.1	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.9	177	-82.8	-26.7	0	0	0	112.2	T181 V300 D302 Y307 E308	T181-N304 WeakPolarHBondContact CG2-OD1 3.49Å; V300-N304 VanDerWaalsContact O-CB 3.29Å; V300-N304 WeakPolarHBondContact O-CB 3.41Å; V300-N304 VanDerWaalsContact O-CG 3.31Å; V300-N304 PolarHBondContact O-N 3.04Å; V300-N304 PolarHBondContact O-ND2 3.31Å; D302-N304 VanDerWaalsContact C-N 3.34Å; D302-N304 PolarHBondContact O-N 3.25Å; N304-Y307 PolarHBondContact O-N 2.91Å; N304-E308 WeakPolarHBondContact O-CB 3.32Å; N304-E308 PolarHBondContact O-N 3.27Å
305	Q	93.5	Very high	87.1	Confident	116 Å²	116	75.1 Å²	75.1	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-47.8	179.5	-179.1	177	-6	0	0	111.2	N301 D302 Y307 E308 E309	N301-Q305 VanDerWaalsContact O-CB 3.28Å; N301-Q305 WeakPolarHBondContact O-CB 3.44Å; N301-Q305 PolarHBondContact O-N 2.79Å; D302-Q305 PolarHBondContact O-N 2.92Å; Q305-Y307 VanDerWaalsContact C-N 3.26Å; Q305-Y307 PolarHBondContact O-N 3.42Å; Q305-E308 WeakPolarHBondContact O-CB 3.28Å; Q305-E308 PolarHBondContact O-N 2.61Å; Q305-E308 VanDerWaalsContact O-N 3.16Å; Q305-E309 PolarHBondContact NE2-OE1 3.38Å; Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 2.98Å
306	Q	92.5	Very high	88.1	Confident	35 Å²	35	71.1 Å²	71.1	16%	0.164	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-35.1	177.6	-72.3	-170.7	50.6	0	0	112.4	L185 D302 H310	L185-Q306 HydrophobicContact CD1-CB 4.49Å; L185-Q306 HydrophobicContact CD2-CB 3.81Å; D302-Q306 VanDerWaalsContact CG-NE2 3.3Å; D302-Q306 WeakPolarHBondContact O-CB 3.34Å; D302-Q306 WeakPolarHBondContact O-CG 3.34Å; D302-Q306 PolarHBondContact O-N 3.32Å; D302-Q306 PolarHBondContact OD1-NE2 3.15Å; D302-Q306 PolarHBondContact OD2-NE2 3.12Å; Q306-H310 PolarHBondContact O-N 3.29Å
307	Y	93.9	Very high	89	Confident	13 Å²	13	66 Å²	66	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-42.6	173	179.9	-97.5	0	0	0	112.5	T181 L184 L185 V303 N304 Q305 E309 H310 Y311 D318 G319 R320	T181-Y307 HydrophobicContact CG2-CD1 4.33Å; T181-Y307 HydrophobicContact CG2-CG 4.03Å; L184-Y307 HydrophobicContact CB-CD2 3.88Å; L184-Y307 HydrophobicContact CB-CE2 3.46Å; L184-Y307 VanDerWaalsContact CB-CE2 3.46Å; L184-Y307 HydrophobicContact CD1-CE1 4.44Å; L184-Y307 HydrophobicContact CD1-CE2 4.1Å; L184-Y307 HydrophobicContact CG-CE2 4.36Å; L185-Y307 HydrophobicContact CB-CD2 4.39Å; V303-Y307 WeakPolarHBondContact O-CB 3.44Å; V303-Y307 PolarHBondContact O-N 3.32Å; N304-Y307 PolarHBondContact O-N 2.91Å; Q305-Y307 VanDerWaalsContact C-N 3.26Å; Q305-Y307 PolarHBondContact O-N 3.42Å; Y307-E309 VanDerWaalsContact C-N 3.34Å; Y307-E309 PolarHBondContact O-N 3.26Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.42Å; Y307-Y311 WeakPolarHBondContact O-CB 3.16Å; Y307-Y311 PolarHBondContact O-N 3.21Å; Y307-D318 WeakPolarHBondContact CE1-OD1 3.39Å; Y307-G319 WeakPolarHBondContact OH-CA 3.39Å; Y307-G319 PolarHBondContact OH-N 3.04Å; Y307-R320 HydrophobicContact CD1-CG 3.85Å; Y307-R320 HydrophobicContact CE1-CG 3.68Å
308	E	94.3	Very high	90	Very high	67 Å²	67	62.9 Å²	62.9	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-55.7	-48.7	176.1	-171.3	77.9	-133.8	0	0	111.1	N304 Q305 H310 Y311 L312 R320	N304-E308 WeakPolarHBondContact O-CB 3.32Å; N304-E308 PolarHBondContact O-N 3.27Å; Q305-E308 WeakPolarHBondContact O-CB 3.28Å; Q305-E308 PolarHBondContact O-N 2.61Å; Q305-E308 VanDerWaalsContact O-N 3.16Å; E308-H310 VanDerWaalsContact C-N 3.32Å; E308-H310 PolarHBondContact O-N 3.34Å; E308-Y311 PolarHBondContact O-N 3.09Å; E308-L312 HydrophobicContact CG-CD1 4.03Å; E308-L312 HydrophobicContact CG-CG 4.44Å; E308-L312 WeakPolarHBondContact O-CB 3.44Å; E308-L312 VanDerWaalsContact O-CG 3.32Å; E308-L312 WeakPolarHBondContact O-CG 3.31Å; E308-L312 PolarHBondContact O-N 3.46Å; E308-R320 IonicContact OE1-NH2 3.23Å; E308-R320 IonicContact OE2-CZ 3.62Å; E308-R320 IonicContact OE2-NH1 3.74Å; E308-R320 PolarHBondContact OE2-NH1 3.31Å; E308-R320 IonicContact OE2-NH2 2.87Å; E308-R320 PolarHBondContact OE2-NH2 3.11Å
309	E	93.2	Very high	90.6	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-42.9	178	-70.6	174.2	-168.9	0	0	111.7	Q305 Y307 K313	Q305-E309 PolarHBondContact NE2-OE1 3.38Å; Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 2.98Å; Y307-E309 VanDerWaalsContact C-N 3.34Å; Y307-E309 PolarHBondContact O-N 3.26Å; E309-K313 VanDerWaalsContact O-CB 3.31Å; E309-K313 WeakPolarHBondContact O-CB 3.46Å; E309-K313 PolarHBondContact O-N 3.46Å; E309-K313 VanDerWaalsContact O-N 3.08Å
310	H	90.5	Very high	91.2	Very high	57 Å²	57	57.6 Å²	57.6	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-45.6	175.5	178.4	-82.3	0	0	0	112.1	L185 G188 Q306 Y307 E308 K313 S314	L185-H310 HydrophobicContact CD1-CB 4.32Å; G188-H310 PolarHBondContact O-NE2 3.35Å; Q306-H310 PolarHBondContact O-N 3.29Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.42Å; E308-H310 VanDerWaalsContact C-N 3.32Å; E308-H310 PolarHBondContact O-N 3.34Å; H310-K313 PolarHBondContact O-N 2.97Å; H310-S314 WeakPolarHBondContact O-CB 3.44Å; H310-S314 PolarHBondContact O-N 3.39Å; H310-S314 PolarHBondContact O-OG 2.93Å
311	Y	92.1	Very high	91.7	Very high	12 Å²	12	56.8 Å²	56.8	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-51.2	178.2	151.3	-108.6	0	0	0	111.3	T102 T104 Y307 E308 K313 S314 R315 D316 D318	T102-Y311 WeakPolarHBondContact CB-OH 3.39Å; T102-Y311 HydrophobicContact CG2-CE1 4.34Å; T102-Y311 HydrophobicContact CG2-CE2 4.09Å; T102-Y311 PolarHBondContact OG1-OH 2.84Å; T104-Y311 WeakPolarHBondContact CB-OH 3.43Å; Y307-Y311 WeakPolarHBondContact O-CB 3.16Å; Y307-Y311 PolarHBondContact O-N 3.21Å; E308-Y311 PolarHBondContact O-N 3.09Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.05Å; Y311-S314 PolarHBondContact O-N 3.01Å; Y311-S314 PolarHBondContact O-OG 3.26Å; Y311-R315 PolarHBondContact O-N 3.47Å; Y311-D316 VanDerWaalsContact CE2-O 3.29Å; Y311-D316 WeakPolarHBondContact CE2-O 3.15Å; Y311-D318 HydrophobicContact CD2-CB 4.07Å; Y311-D318 HydrophobicContact CE1-CB 4.38Å; Y311-D318 HydrophobicContact CE2-CB 3.74Å
312	L	91.8	Very high	92	Very high	82 Å²	82	50.6 Å²	50.6	43%	0.429	24%	0.239	S	C	.	.	H	α-helix	trans	-61.1	-37	179.1	-69.4	174.3	0	0	0	111.8	T102 E308 R315	T102-L312 HydrophobicContact CG2-CD2 4.19Å; E308-L312 HydrophobicContact CG-CD1 4.03Å; E308-L312 HydrophobicContact CG-CG 4.44Å; E308-L312 WeakPolarHBondContact O-CB 3.44Å; E308-L312 VanDerWaalsContact O-CG 3.32Å; E308-L312 WeakPolarHBondContact O-CG 3.31Å; E308-L312 PolarHBondContact O-N 3.46Å; L312-R315 WeakPolarHBondContact O-CG 3.31Å; L312-R315 PolarHBondContact O-N 2.83Å
313	K	90.3	Very high	92.2	Very high	182 Å²	182	47.5 Å²	47.5	79%	0.791	22%	0.222	S	C	*	.	H	α-helix	trans	-65.8	-40.9	174	-174.1	179.7	179.3	-177.4	0	112.3	E309 H310 Y311 R315	E309-K313 VanDerWaalsContact O-CB 3.31Å; E309-K313 WeakPolarHBondContact O-CB 3.46Å; E309-K313 PolarHBondContact O-N 3.46Å; E309-K313 VanDerWaalsContact O-N 3.08Å; H310-K313 PolarHBondContact O-N 2.97Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.05Å; K313-R315 VanDerWaalsContact C-N 3.34Å
314	S	87.3	Confident	92.2	Very high	49 Å²	49	51.1 Å²	51.1	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-74.1	-23	178.7	72.4	0	0	0	0	113.9	H310 Y311 D316	H310-S314 WeakPolarHBondContact O-CB 3.44Å; H310-S314 PolarHBondContact O-N 3.39Å; H310-S314 PolarHBondContact O-OG 2.93Å; Y311-S314 PolarHBondContact O-N 3.01Å; Y311-S314 PolarHBondContact O-OG 3.26Å; S314-D316 PolarHBondContact O-N 3.3Å
315	R	89.7	Confident	92	Very high	122 Å²	122	51.4 Å²	51.4	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	27.6	-176	-57.4	-177	-178	136.5	2.2	114.7	T102 V103 Y311 L312 K313	T102-R315 WeakPolarHBondContact CA-O 3.38Å; V103-R315 PolarHBondContact N-O 3.47Å; V103-R315 VanDerWaalsContact N-O 3.11Å; Y311-R315 PolarHBondContact O-N 3.47Å; L312-R315 WeakPolarHBondContact O-CG 3.31Å; L312-R315 PolarHBondContact O-N 2.83Å; K313-R315 VanDerWaalsContact C-N 3.34Å
316	D	89.3	Confident	92	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	24%	0.237	C	C	.	.	S	Bend	trans	-94.2	-153.2	-173.5	-146.2	-56.8	0	0	0	112.4	V103 L142 K145 Y311 S314	V103-D316 PolarHBondContact N-O 2.76Å; L142-D316 WeakPolarHBondContact CD1-OD1 3.13Å; K145-D316 WeakPolarHBondContact CD-OD2 3.16Å; K145-D316 WeakPolarHBondContact CE-OD2 3.33Å; K145-D316 IonicContact NZ-OD2 2.78Å; K145-D316 PolarHBondContact NZ-OD2 2.93Å; Y311-D316 VanDerWaalsContact CE2-O 3.29Å; Y311-D316 WeakPolarHBondContact CE2-O 3.15Å; S314-D316 PolarHBondContact O-N 3.3Å
317	I	92.1	Very high	91.9	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	26%	0.26	C	S	.	.			trans	-83.1	133	169.8	-58.4	161.7	0	0	0	108.9	V103 T104 L114 L142 Y146 G319 F322 V329	V103-I317 HydrophobicContact CB-CG1 4.11Å; V103-I317 HydrophobicContact CG1-CG1 3.81Å; T104-I317 WeakPolarHBondContact OG1-CA 3.39Å; L114-I317 HydrophobicContact CD1-CD1 3.93Å; L114-I317 HydrophobicContact CD2-CD1 3.47Å; L114-I317 VanDerWaalsContact CD2-CD1 3.47Å; L114-I317 HydrophobicContact CG-CD1 4.24Å; L142-I317 HydrophobicContact CD1-CD1 3.71Å; L142-I317 HydrophobicContact CD1-CG1 4.05Å; Y146-I317 HydrophobicContact CD2-CD1 4.28Å; I317-G319 PolarHBondContact O-N 3.5Å; I317-F322 HydrophobicContact CG2-CE2 4.42Å; I317-V329 HydrophobicContact CG2-CG1 3.44Å; I317-V329 VanDerWaalsContact CG2-CG1 3.44Å
318	D	94.6	Very high	91.6	Very high	13 Å²	13	52 Å²	52	7%	0.07	26%	0.259	C	S	.	.			trans	-69.2	108.3	169.6	-176.1	-9.5	0	0	0	110.4	T104 Y307 Y311 R320 L321	T104-D318 HydrophobicContact CG2-CB 4.41Å; T104-D318 PolarHBondContact OG1-N 3.3Å; Y307-D318 WeakPolarHBondContact CE1-OD1 3.39Å; Y311-D318 HydrophobicContact CD2-CB 4.07Å; Y311-D318 HydrophobicContact CE1-CB 4.38Å; Y311-D318 HydrophobicContact CE2-CB 3.74Å; D318-R320 PolarHBondContact O-N 3.03Å; D318-R320 VanDerWaalsContact OD1-CB 3.29Å; D318-R320 WeakPolarHBondContact OD1-CB 3.32Å; D318-R320 IonicContact OD1-CZ 3.44Å; D318-R320 PolarHBondContact OD1-N 2.89Å; D318-R320 IonicContact OD1-NE 3.69Å; D318-R320 PolarHBondContact OD1-NE 3.28Å; D318-R320 IonicContact OD1-NH2 3.19Å; D318-R320 IonicContact OD2-CZ 3.16Å; D318-R320 IonicContact OD2-NE 2.68Å; D318-R320 PolarHBondContact OD2-NE 3.44Å; D318-R320 IonicContact OD2-NH2 3.65Å; D318-R320 PolarHBondContact OD2-NH2 3.05Å; D318-L321 HydrophobicContact CB-CD1 3.96Å; D318-L321 HydrophobicContact CB-CG 3.95Å; D318-L321 WeakPolarHBondContact O-CB 3.5Å; D318-L321 PolarHBondContact O-N 3.11Å
319	G	93.3	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.8	-177.8	0	0	0	0	0	114.2	M149 W180 L184 Y307 I317 L321 F322	M149-G319 WeakPolarHBondContact SD-CA 3.29Å; W180-G319 PolarHBondContact NE1-O 3.4Å; L184-G319 VanDerWaalsContact CD1-C 3.45Å; Y307-G319 WeakPolarHBondContact OH-CA 3.39Å; Y307-G319 PolarHBondContact OH-N 3.04Å; I317-G319 PolarHBondContact O-N 3.5Å; G319-L321 PolarHBondContact O-N 3.23Å; G319-F322 WeakPolarHBondContact O-CD2 3.47Å; G319-F322 PolarHBondContact O-N 2.59Å
320	R	95.1	Very high	91	Very high	35 Å²	35	45.2 Å²	45.2	13%	0.132	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.2	176.7	-62.9	170	-63.1	-175.8	6.3	111.3	T181 L184 Y307 E308 D318 F322 F323 D324	T181-R320 HydrophobicContact CG2-CG 4.24Å; L184-R320 HydrophobicContact CD1-CG 4.35Å; Y307-R320 HydrophobicContact CD1-CG 3.85Å; Y307-R320 HydrophobicContact CE1-CG 3.68Å; E308-R320 IonicContact OE1-NH2 3.23Å; E308-R320 IonicContact OE2-CZ 3.62Å; E308-R320 IonicContact OE2-NH1 3.74Å; E308-R320 PolarHBondContact OE2-NH1 3.31Å; E308-R320 IonicContact OE2-NH2 2.87Å; E308-R320 PolarHBondContact OE2-NH2 3.11Å; D318-R320 PolarHBondContact O-N 3.03Å; D318-R320 VanDerWaalsContact OD1-CB 3.29Å; D318-R320 WeakPolarHBondContact OD1-CB 3.32Å; D318-R320 IonicContact OD1-CZ 3.44Å; D318-R320 PolarHBondContact OD1-N 2.89Å; D318-R320 IonicContact OD1-NE 3.69Å; D318-R320 PolarHBondContact OD1-NE 3.28Å; D318-R320 IonicContact OD1-NH2 3.19Å; D318-R320 IonicContact OD2-CZ 3.16Å; D318-R320 IonicContact OD2-NE 2.68Å; D318-R320 PolarHBondContact OD2-NE 3.44Å; D318-R320 IonicContact OD2-NH2 3.65Å; D318-R320 PolarHBondContact OD2-NH2 3.05Å; R320-F322 PolarHBondContact O-N 2.9Å; R320-F322 VanDerWaalsContact O-N 3.1Å; R320-F323 WeakPolarHBondContact O-CB 3.46Å; R320-F323 PolarHBondContact O-N 3.15Å; R320-D324 PolarHBondContact O-N 3.22Å
321	L	94.7	Very high	90.1	Very high	22 Å²	22	46.4 Å²	46.4	12%	0.115	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-24.7	-180	-64.1	-177.7	0	0	0	113.8	T104 D318 G319 F323 D324 G325 D326 V329	T104-L321 HydrophobicContact CG2-CD1 3.58Å; D318-L321 HydrophobicContact CB-CD1 3.96Å; D318-L321 HydrophobicContact CB-CG 3.95Å; D318-L321 WeakPolarHBondContact O-CB 3.5Å; D318-L321 PolarHBondContact O-N 3.11Å; G319-L321 PolarHBondContact O-N 3.23Å; L321-F323 VanDerWaalsContact C-N 3.31Å; L321-F323 PolarHBondContact O-N 2.99Å; L321-D324 PolarHBondContact O-N 3.29Å; L321-G325 PolarHBondContact O-N 3.09Å; L321-G325 VanDerWaalsContact O-N 3.17Å; L321-D326 HydrophobicContact CB-CB 3.83Å; L321-D326 HydrophobicContact CD2-CB 4.2Å; L321-D326 HydrophobicContact CG-CB 4.44Å; L321-D326 PolarHBondContact O-N 2.46Å; L321-D326 VanDerWaalsContact O-N 3.11Å; L321-V329 HydrophobicContact CB-CG1 4.25Å; L321-V329 HydrophobicContact CB-CG2 3.73Å; L321-V329 HydrophobicContact CD1-CG1 4.46Å
322	F	93.8	Very high	88.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-41.8	172.4	-75.6	-93.6	0	0	0	111.4	Y146 M149 L150 Y153 I317 G319 R320 D324 G325 V329 L330	Y146-F322 HydrophobicContact CD2-CE1 4.5Å; Y146-F322 AromaticContact CD2-CZ 3.81Å; Y146-F322 HydrophobicContact CD2-CZ 3.81Å; Y146-F322 HydrophobicContact CE2-CE1 4.12Å; Y146-F322 AromaticContact CE2-CZ 3.82Å; Y146-F322 HydrophobicContact CE2-CZ 3.82Å; M149-F322 HydrophobicContact CB-CE2 4.35Å; M149-F322 HydrophobicContact CB-CZ 4.24Å; M149-F322 HydrophobicContact CG-CD2 4.15Å; M149-F322 HydrophobicContact CG-CE2 3.77Å; M149-F322 HydrophobicContact CG-CZ 4.12Å; M149-F322 HydrophobicContact SD-CD2 3.79Å; M149-F322 HydrophobicContact SD-CE2 3.32Å; M149-F322 WeakPolarHBondContact SD-CE2 3.43Å; M149-F322 HydrophobicContact SD-CZ 4.14Å; L150-F322 HydrophobicContact CB-CE1 3.9Å; L150-F322 HydrophobicContact CD1-CD1 4.2Å; L150-F322 HydrophobicContact CD1-CE1 3.87Å; L150-F322 HydrophobicContact CG-CE1 4.49Å; Y153-F322 HydrophobicContact CD1-CB 3.82Å; Y153-F322 HydrophobicContact CD1-CD1 4.14Å; Y153-F322 HydrophobicContact CD1-CG 4.45Å; Y153-F322 HydrophobicContact CD2-CB 3.85Å; Y153-F322 HydrophobicContact CE1-CB 4.17Å; Y153-F322 WeakPolarHBondContact CE1-O 3.45Å; Y153-F322 HydrophobicContact CE2-CB 4.23Å; Y153-F322 HydrophobicContact CG-CB 3.64Å; Y153-F322 HydrophobicContact CG-CD1 4.3Å; Y153-F322 HydrophobicContact CG-CG 4.32Å; Y153-F322 VanDerWaalsContact CZ-C 3.49Å; Y153-F322 PolarHBondContact OH-O 3.38Å; Y153-F322 VanDerWaalsContact OH-O 3.07Å; I317-F322 HydrophobicContact CG2-CE2 4.42Å; G319-F322 WeakPolarHBondContact O-CD2 3.47Å; G319-F322 PolarHBondContact O-N 2.59Å; R320-F322 PolarHBondContact O-N 2.9Å; R320-F322 VanDerWaalsContact O-N 3.1Å; F322-D324 VanDerWaalsContact C-N 3.34Å; F322-G325 PolarHBondContact O-N 3.43Å; F322-V329 HydrophobicContact CD1-CG2 4.43Å; F322-V329 HydrophobicContact CD2-CB 4.24Å; F322-V329 HydrophobicContact CD2-CG2 4.16Å; F322-V329 HydrophobicContact CE1-CB 4.28Å; F322-V329 HydrophobicContact CE2-CB 3.97Å; F322-V329 HydrophobicContact CE2-CG1 4.14Å; F322-V329 HydrophobicContact CE2-CG2 4.39Å; F322-V329 HydrophobicContact CG-CG2 4.19Å; F322-V329 HydrophobicContact CZ-CB 4.01Å; F322-L330 HydrophobicContact CD1-CD2 4.18Å; F322-L330 HydrophobicContact CD1-CG 4.4Å
323	F	93	Very high	86.9	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-37.8	178	-167.8	-86.1	0	0	0	112.2	Y153 F156 R173 M176 R177 W180 R320 L321 G325	Y153-F323 HydrophobicContact CE2-CB 4.09Å; Y153-F323 HydrophobicContact CE2-CD2 4.08Å; Y153-F323 WeakPolarHBondContact OH-CA 3.41Å; F156-F323 HydrophobicContact CE1-CD2 4.19Å; F156-F323 HydrophobicContact CE1-CE2 4.17Å; R173-F323 HydrophobicContact CG-CE1 3.94Å; R173-F323 HydrophobicContact CG-CZ 3.81Å; R173-F323 WeakPolarHBondContact O-CZ 3.36Å; M176-F323 HydrophobicContact CB-CE2 3.71Å; M176-F323 HydrophobicContact CB-CZ 3.94Å; R177-F323 HydrophobicContact CB-CD1 3.93Å; R177-F323 HydrophobicContact CB-CE1 3.63Å; R177-F323 HydrophobicContact CB-CE2 4.38Å; R177-F323 HydrophobicContact CB-CG 4.42Å; R177-F323 HydrophobicContact CB-CZ 3.88Å; R177-F323 HydrophobicContact CG-CD1 3.98Å; R177-F323 HydrophobicContact CG-CE1 4.16Å; R177-F323 HydrophobicContact CG-CG 4.46Å; W180-F323 HydrophobicContact CB-CD2 4.47Å; R320-F323 WeakPolarHBondContact O-CB 3.46Å; R320-F323 PolarHBondContact O-N 3.15Å; L321-F323 VanDerWaalsContact C-N 3.31Å; L321-F323 PolarHBondContact O-N 2.99Å; F323-G325 PolarHBondContact O-N 2.98Å
324	D	90.5	Very high	84.4	Confident	78 Å²	78	53.1 Å²	53.1	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-78.6	-7.5	-178.6	-62	-38.3	0	0	0	113.3	R177 R320 L321 F322	R177-D324 IonicContact CZ-OD1 2.81Å; R177-D324 IonicContact NE-OD1 3.05Å; R177-D324 PolarHBondContact NE-OD1 3.19Å; R177-D324 IonicContact NH2-OD1 3.93Å; R177-D324 PolarHBondContact NH2-OD1 2.88Å; R320-D324 PolarHBondContact O-N 3.22Å; L321-D324 PolarHBondContact O-N 3.29Å; F322-D324 VanDerWaalsContact C-N 3.34Å
325	G	87.7	Confident	81.7	Confident	48 Å²	48	59.1 Å²	59.1	50%	0.495	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	25.5	177.8	0	0	0	0	0	113.4	L321 F322 F323	L321-G325 PolarHBondContact O-N 3.09Å; L321-G325 VanDerWaalsContact O-N 3.17Å; F322-G325 PolarHBondContact O-N 3.43Å; F323-G325 PolarHBondContact O-N 2.98Å
326	D	92.5	Very high	78.9	Confident	33 Å²	33	60.9 Å²	60.9	18%	0.176	32%	0.32	C	S	.	.			trans	-69.4	136.3	-170.1	-165.5	-81.4	0	0	0	113.3	K108 L321 S328 V329 L330	K108-D326 WeakPolarHBondContact CE-OD1 3.14Å; K108-D326 IonicContact NZ-OD1 2.98Å; K108-D326 PolarHBondContact NZ-OD1 2.9Å; K108-D326 IonicContact NZ-OD2 2.75Å; K108-D326 PolarHBondContact NZ-OD2 3.11Å; L321-D326 HydrophobicContact CB-CB 3.83Å; L321-D326 HydrophobicContact CD2-CB 4.2Å; L321-D326 HydrophobicContact CG-CB 4.44Å; L321-D326 PolarHBondContact O-N 2.46Å; L321-D326 VanDerWaalsContact O-N 3.11Å; D326-S328 PolarHBondContact O-N 3.29Å; D326-S328 VanDerWaalsContact O-N 3.15Å; D326-S328 VanDerWaalsContact OD1-CB 3.26Å; D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 3.05Å; D326-S328 PolarHBondContact OD1-OG 3.42Å; D326-V329 HydrophobicContact CB-CG2 4.2Å; D326-V329 WeakPolarHBondContact O-CG2 3.33Å; D326-V329 PolarHBondContact O-N 3.36Å; D326-L330 PolarHBondContact O-N 3.39Å
327	E	89.8	Confident	75.9	Confident	140 Å²	140	64.4 Å²	64.4	65%	0.654	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.4	-177.3	-61.6	-172.6	165.3	0	0	114.3	N113 V329 L330	N113-E327 VanDerWaalsContact CB-O 3.27Å; N113-E327 WeakPolarHBondContact CB-O 3.44Å; E327-V329 VanDerWaalsContact C-N 3.33Å; E327-L330 CarbonylContact C-O 3.59Å; E327-L330 WeakPolarHBondContact CA-O 3.42Å; E327-L330 VanDerWaalsContact O-O 3.1Å
328	S	88.8	Confident	73.2	Confident	5 Å²	5	73.4 Å²	73.4	4%	0.035	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.2	177.6	63	0	0	0	0	113	N113 L114 D326	N113-S328 VanDerWaalsContact CA-O 3.31Å; N113-S328 WeakPolarHBondContact CA-O 3.15Å; L114-S328 PolarHBondContact N-O 2.85Å; L114-S328 VanDerWaalsContact N-O 3.08Å; D326-S328 PolarHBondContact O-N 3.29Å; D326-S328 VanDerWaalsContact O-N 3.15Å; D326-S328 VanDerWaalsContact OD1-CB 3.26Å; D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 3.05Å; D326-S328 PolarHBondContact OD1-OG 3.42Å
329	V	89.3	Confident	70.3	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-17.8	-177.6	-62.5	0	0	0	0	113.2	Y146 I317 L321 F322 D326 E327	Y146-V329 VanDerWaalsContact CE2-O 3.22Å; Y146-V329 WeakPolarHBondContact CE2-O 3.49Å; Y146-V329 PolarHBondContact OH-O 3.16Å; I317-V329 HydrophobicContact CG2-CG1 3.44Å; I317-V329 VanDerWaalsContact CG2-CG1 3.44Å; L321-V329 HydrophobicContact CB-CG1 4.25Å; L321-V329 HydrophobicContact CB-CG2 3.73Å; L321-V329 HydrophobicContact CD1-CG1 4.46Å; F322-V329 HydrophobicContact CD1-CG2 4.43Å; F322-V329 HydrophobicContact CD2-CB 4.24Å; F322-V329 HydrophobicContact CD2-CG2 4.16Å; F322-V329 HydrophobicContact CE1-CB 4.28Å; F322-V329 HydrophobicContact CE2-CB 3.97Å; F322-V329 HydrophobicContact CE2-CG1 4.14Å; F322-V329 HydrophobicContact CE2-CG2 4.39Å; F322-V329 HydrophobicContact CG-CG2 4.19Å; F322-V329 HydrophobicContact CZ-CB 4.01Å; D326-V329 HydrophobicContact CB-CG2 4.2Å; D326-V329 WeakPolarHBondContact O-CG2 3.33Å; D326-V329 PolarHBondContact O-N 3.36Å; E327-V329 VanDerWaalsContact C-N 3.33Å
330	L	85.9	Confident	67.2	Low	36 Å²	36	86.7 Å²	86.7	19%	0.188	46%	0.458	C	S	.	.	S	Bend	trans	-123.6	136.8	175.9	-69.8	169.4	0	0	0	110	L150 F322 D326 E327	L150-L330 HydrophobicContact CD1-CD2 3.53Å; F322-L330 HydrophobicContact CD1-CD2 4.18Å; F322-L330 HydrophobicContact CD1-CG 4.4Å; D326-L330 PolarHBondContact O-N 3.39Å; E327-L330 CarbonylContact C-O 3.59Å; E327-L330 WeakPolarHBondContact CA-O 3.42Å; E327-L330 VanDerWaalsContact O-O 3.1Å
331	P	70.9	Confident	64.3	Low	82 Å²	82	97.2 Å²	97.2	53%	0.532	50%	0.498	S	S	.	.			trans	-62.3	147.3	171.4	26.6	-32	0	0	0	109.9	K333	P331-K333 PolarHBondContact O-N 3.08Å
332	P	60.9	Low	61.2	Low	80 Å²	80	101.7 Å²	101.7	52%	0.519	53%	0.527	S	S	.	.			trans	-53.8	127.7	176.8	-22.2	30.6	0	0	0	109.8	I334	P332-I334 VanDerWaalsContact C-N 3.32Å; P332-I334 PolarHBondContact O-N 2.93Å
333	K	55.7	Low	58.3	Low	190 Å²	190	107.8 Å²	107.8	83%	0.826	57%	0.566	S	S	*	*			trans	-65.5	99.5	167.3	-75.2	179.7	-179.2	173.6	0	106.3	P331 E335	P331-K333 PolarHBondContact O-N 3.08Å; K333-E335 VanDerWaalsContact C-N 3.26Å; K333-E335 PolarHBondContact O-N 3.38Å
334	I	37.8	Very low	55.4	Low	147 Å²	147	116.8 Å²	116.8	75%	0.754	61%	0.605	S	S	*	*			trans	-64.4	98.4	167	-60	172.6	0	0	0	105.4	P332 I336	P332-I334 VanDerWaalsContact C-N 3.32Å; P332-I334 PolarHBondContact O-N 2.93Å; I334-I336 VanDerWaalsContact C-N 3.34Å; I334-I336 HydrophobicContact CG2-CG1 4.44Å; I334-I336 PolarHBondContact O-N 3.18Å
335	E	30.4	Very low	52.4	Low	175 Å²	175	122.7 Å²	122.7	82%	0.818	63%	0.627	S	S	*	*			trans	-61	103.9	162.5	-76.7	-173.7	165.2	0	0	106.4	K333 S337	K333-E335 VanDerWaalsContact C-N 3.26Å; K333-E335 PolarHBondContact O-N 3.38Å; E335-S337 PolarHBondContact O-N 3.39Å
336	I	30.8	Very low	49.7	Very low	158 Å²	158	128.1 Å²	128.1	81%	0.81	65%	0.645	S	S	*	*			trans	-69.2	86.2	165.1	-57.5	172.5	0	0	0	105	I334 Q338	I334-I336 VanDerWaalsContact C-N 3.34Å; I334-I336 HydrophobicContact CG2-CG1 4.44Å; I334-I336 PolarHBondContact O-N 3.18Å; I336-Q338 PolarHBondContact O-N 3.18Å
337	S	27.5	Very low	46.5	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	68%	0.676	S	S	*	*			trans	-52.3	122.8	166.3	46.2	0	0	0	0	107.8	E335 V339	E335-S337 PolarHBondContact O-N 3.39Å; S337-V339 VanDerWaalsContact C-N 3.35Å; S337-V339 PolarHBondContact O-N 3.08Å
338	Q	35.1	Very low	43.9	Very low	195 Å²	195	134.8 Å²	134.8	91%	0.911	69%	0.686	S	S	*	*	S	Bend	trans	-56.9	88.2	179.2	-67.7	-179.4	-20.1	0	0	111.5	I336	I336-Q338 PolarHBondContact O-N 3.18Å
339	V	33.5	Very low	41.2	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	72%	0.723	S	S	*	*			trans	-145.7	130.9	161.8	-173.7	0	0	0	0	109.3	S337	S337-V339 VanDerWaalsContact C-N 3.35Å; S337-V339 PolarHBondContact O-N 3.08Å
340	E	28.3	Very low	38.3	Very low	168 Å²	168	151.1 Å²	151.1	79%	0.785	76%	0.762	S	S	*	*			trans	70.9	81.7	174.5	-77.9	179.7	162.3	0	0	118.7	T342	E340-T342 PolarHBondContact O-N 2.87Å
341	R	33.6	Very low	35.7	Very low	256 Å²	256	156.2 Å²	156.2	97%	0.966	79%	0.79	S	S	*	*			trans	-58.2	97.9	144.2	-76.9	-177.6	172.5	176.8	-1.9	109.5
342	T	29.1	Very low	33.8	Very low	116 Å²	116	154.4 Å²	154.4	71%	0.712	79%	0.785	S	S	*	*			trans	-87.9	125.4	156	16.5	0	0	0	0	108.7	E340 K344	E340-T342 PolarHBondContact O-N 2.87Å; T342-K344 PolarHBondContact O-N 3.27Å
343	P	33.4	Very low	32.3	Very low	127 Å²	127	156.4 Å²	156.4	83%	0.825	80%	0.798	S	S	*	*			trans	-71	114.9	-178	28.1	-32.4	0	0	0	109.7	K345	P343-K345 PolarHBondContact O-N 2.77Å
344	K	32.3	Very low	31	Very low	201 Å²	201	153.7 Å²	153.7	87%	0.874	80%	0.798	S	S	*	*			trans	-71.8	124.5	168.6	-77.5	-176.8	178	177	0	109	T342 N346	T342-K344 PolarHBondContact O-N 3.27Å; K344-N346 PolarHBondContact O-N 2.8Å
345	K	28.2	Very low	30.7	Very low	201 Å²	201	153 Å²	153	87%	0.874	79%	0.794	S	S	*	*			trans	-45.7	122.7	175.5	-168	173.6	-176.9	175.5	0	111.7	P343 Q347	P343-K345 PolarHBondContact O-N 2.77Å; K345-Q347 PolarHBondContact O-N 3.17Å
346	N	29.3	Very low	31	Very low	163 Å²	163	149.6 Å²	149.6	87%	0.872	79%	0.787	S	S	*	*			trans	-49.9	118.2	177	-64.7	-20.5	0	0	0	111.7	K344	K344-N346 PolarHBondContact O-N 2.8Å
347	Q	26.8	Very low	31.8	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	79%	0.789	S	S	*	*			trans	-106.5	138.7	152.2	-74.5	-170.6	3	0	0	107.3	K345	K345-Q347 PolarHBondContact O-N 3.17Å
348	P	33.6	Very low	33.4	Very low	133 Å²	133	148.2 Å²	148.2	86%	0.864	78%	0.779	S	S	*	*			trans	-69.6	138.2	-171.8	26.8	-31	0	0	0	111.7
349	E	31.9	Very low	35.5	Very low	171 Å²	171	141.4 Å²	141.4	80%	0.799	75%	0.75	S	S	*	*			trans	-59.1	122.6	-173.9	-63.8	162	159.8	0	0	113.3
350	E	29.8	Very low	37.8	Very low	178 Å²	178	138.6 Å²	138.6	83%	0.832	74%	0.735	S	S	*	*			trans	-101.9	86.4	146.7	-92.6	-164	153.5	0	0	107.5	G352	E350-G352 VanDerWaalsContact C-N 3.27Å; E350-G352 PolarHBondContact O-N 2.97Å
351	D	30.2	Very low	40.4	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	70%	0.698	S	S	*	*			trans	-69.5	86.1	164.9	-97.4	-18.3	0	0	0	109.3
352	G	32	Very low	42.8	Very low	43 Å²	43	123.5 Å²	123.5	44%	0.443	67%	0.671	S	S	.	*			trans	-84.7	142.8	143.1	0	0	0	0	0	107.7	E350 T354	E350-G352 VanDerWaalsContact C-N 3.27Å; E350-G352 PolarHBondContact O-N 2.97Å; G352-T354 PolarHBondContact O-N 2.97Å
353	P	28.3	Very low	45.3	Very low	122 Å²	122	119 Å²	119	79%	0.792	65%	0.645	S	S	*	*			trans	-58.3	109.7	177.9	24.7	-31.2	0	0	0	107.8	I355	P353-I355 PolarHBondContact O-N 3.48Å
354	T	28.2	Very low	47.7	Very low	133 Å²	133	113.1 Å²	113.1	82%	0.816	61%	0.607	S	S	*	*			trans	-70.9	89.4	175.3	3.6	0	0	0	0	106	G352 P356	G352-T354 PolarHBondContact O-N 2.97Å; T354-P356 WeakPolarHBondContact O-CD 3.34Å; T354-P356 VanDerWaalsContact O-N 3.14Å
355	I	32.8	Very low	50.3	Low	133 Å²	133	103.9 Å²	103.9	68%	0.682	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-58	118.5	173.5	-59.5	171.8	0	0	0	105.7	P353	P353-I355 PolarHBondContact O-N 3.48Å
356	P	35.6	Very low	53	Low	103 Å²	103	96 Å²	96	67%	0.669	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-57.2	140	177.8	21.5	-30.6	0	0	0	109	T354 Q358	T354-P356 WeakPolarHBondContact O-CD 3.34Å; T354-P356 VanDerWaalsContact O-N 3.14Å; P356-Q358 PolarHBondContact O-N 3.47Å; P356-Q358 VanDerWaalsContact O-N 3.1Å
357	P	49	Very low	55.7	Low	129 Å²	129	89.6 Å²	89.6	84%	0.838	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-55.3	122.2	-176.7	21.5	-31.7	0	0	0	109.6
358	Q	61.3	Low	58.5	Low	95 Å²	95	81.4 Å²	81.4	44%	0.444	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-66.2	136.8	179.8	-66.8	-168.1	-6	0	0	109.9	P356	P356-Q358 PolarHBondContact O-N 3.47Å; P356-Q358 VanDerWaalsContact O-N 3.1Å
359	T	79.3	Confident	61.1	Low	51 Å²	51	80.1 Å²	80.1	31%	0.313	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.8	148.3	170.7	54.4	0	0	0	0	110.3	I361 R362 A363	T359-I361 VanDerWaalsContact C-N 3.3Å; T359-I361 PolarHBondContact O-N 2.97Å; T359-I361 VanDerWaalsContact O-N 3.16Å; T359-R362 WeakPolarHBondContact O-CA 3.43Å; T359-R362 WeakPolarHBondContact O-CB 3.06Å; T359-R362 PolarHBondContact O-N 3.5Å; T359-R362 VanDerWaalsContact OG1-CB 3.29Å; T359-R362 WeakPolarHBondContact OG1-CB 3.49Å; T359-A363 PolarHBondContact O-N 2.92Å
360	P	80.8	Confident	63.6	Low	66 Å²	66	77.5 Å²	77.5	43%	0.429	43%	0.433	S	S	.	.	H	α-helix	trans	-51.1	-42.9	-177.2	-29.1	35.2	0	0	0	114.6	A151 L197 R362 A363 A364	A151-P360 HydrophobicContact CB-CB 4.31Å; A151-P360 HydrophobicContact CB-CG 4.24Å; L197-P360 HydrophobicContact CD2-CB 3.98Å; P360-R362 PolarHBondContact O-N 3.4Å; P360-A363 PolarHBondContact O-N 3.44Å; P360-A364 PolarHBondContact O-N 2.9Å
361	I	82.8	Confident	66.3	Low	4 Å²	4	70 Å²	70	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-42	177.4	-66.6	166.8	0	0	0	111.2	A151 L152 R155 L197 F201 T359 A364 M365	A151-I361 WeakPolarHBondContact O-CD1 3.49Å; L152-I361 HydrophobicContact CD2-CD1 4.07Å; R155-I361 HydrophobicContact CB-CD1 3.57Å; R155-I361 HydrophobicContact CG-CD1 3.93Å; L197-I361 HydrophobicContact CD1-CD1 4.14Å; L197-I361 HydrophobicContact CD1-CG1 3.66Å; L197-I361 HydrophobicContact CD2-CG1 3.99Å; L197-I361 HydrophobicContact CG-CG1 3.87Å; F201-I361 HydrophobicContact CB-CG2 4.41Å; F201-I361 HydrophobicContact CD1-CG2 3.56Å; F201-I361 HydrophobicContact CD2-CD1 3.91Å; F201-I361 HydrophobicContact CD2-CG2 4.11Å; F201-I361 HydrophobicContact CE1-CG2 3.7Å; F201-I361 HydrophobicContact CE2-CD1 4.47Å; F201-I361 HydrophobicContact CE2-CG2 4.31Å; F201-I361 HydrophobicContact CG-CD1 4.26Å; F201-I361 HydrophobicContact CG-CG2 3.75Å; F201-I361 HydrophobicContact CZ-CG2 4.1Å; T359-I361 VanDerWaalsContact C-N 3.3Å; T359-I361 PolarHBondContact O-N 2.97Å; T359-I361 VanDerWaalsContact O-N 3.16Å; I361-A364 PolarHBondContact O-N 3.37Å; I361-M365 HydrophobicContact CG2-CE 4.45Å; I361-M365 HydrophobicContact CG2-CG 4.31Å; I361-M365 VanDerWaalsContact O-CG 3.23Å; I361-M365 WeakPolarHBondContact O-CG 3.06Å; I361-M365 PolarHBondContact O-N 3.42Å
362	R	84.1	Confident	68.9	Low	102 Å²	102	66.6 Å²	66.6	39%	0.385	38%	0.375	S	S	.	.	H	α-helix	trans	-68	-38	179.1	-169.6	174.8	-161.7	172.2	5.5	111.9	E268 T359 P360 T366	E268-R362 IonicContact OE1-CZ 3.31Å; E268-R362 VanDerWaalsContact OE1-CZ 3.3Å; E268-R362 IonicContact OE1-NE 3.7Å; E268-R362 PolarHBondContact OE1-NE 2.97Å; E268-R362 VanDerWaalsContact OE1-NE 3.12Å; E268-R362 IonicContact OE1-NH2 2.96Å; E268-R362 PolarHBondContact OE1-NH2 3.01Å; T359-R362 WeakPolarHBondContact O-CA 3.43Å; T359-R362 WeakPolarHBondContact O-CB 3.06Å; T359-R362 PolarHBondContact O-N 3.5Å; T359-R362 VanDerWaalsContact OG1-CB 3.29Å; T359-R362 WeakPolarHBondContact OG1-CB 3.49Å; P360-R362 PolarHBondContact O-N 3.4Å; R362-T366 VanDerWaalsContact O-CB 3.31Å; R362-T366 WeakPolarHBondContact O-CB 3.37Å; R362-T366 PolarHBondContact O-N 3.06Å; R362-T366 PolarHBondContact O-OG1 2.96Å
363	A	82.1	Confident	71.4	Confident	22 Å²	22	67.6 Å²	67.6	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-58.7	-54.6	173.6	0	0	0	0	0	109.9	T359 P360 M365 T366 S367 E486	T359-A363 PolarHBondContact O-N 2.92Å; P360-A363 PolarHBondContact O-N 3.44Å; A363-M365 PolarHBondContact O-N 3.03Å; A363-T366 WeakPolarHBondContact O-CB 3.41Å; A363-T366 PolarHBondContact O-N 3.23Å; A363-S367 PolarHBondContact O-N 3.4Å; A363-S367 PolarHBondContact O-OG 3.05Å; A363-E486 VanDerWaalsContact C-OE2 3.3Å
364	A	83.6	Confident	74	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-54.9	-49.5	177.7	0	0	0	0	0	112.6	V198 P360 I361 T366 S367 I368 E486	V198-A364 HydrophobicContact CG2-CB 4.21Å; P360-A364 PolarHBondContact O-N 2.9Å; I361-A364 PolarHBondContact O-N 3.37Å; A364-T366 VanDerWaalsContact C-N 3.3Å; A364-T366 PolarHBondContact O-N 3.35Å; A364-S367 PolarHBondContact O-N 3.46Å; A364-I368 WeakPolarHBondContact O-CB 3.26Å; A364-I368 WeakPolarHBondContact O-CD1 3.14Å; A364-I368 WeakPolarHBondContact O-CG1 3.47Å; A364-I368 PolarHBondContact O-N 2.95Å; A364-E486 VanDerWaalsContact CA-OE2 3.3Å; A364-E486 WeakPolarHBondContact CA-OE2 3.23Å; A364-E486 PolarHBondContact N-OE2 3.07Å
365	M	86.6	Confident	76.7	Confident	8 Å²	8	59 Å²	59	4%	0.039	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-35	179	-65	-59.9	151.5	0	0	112.8	V198 F201 I361 A363 I368 R369	V198-M365 HydrophobicContact CB-CE 4.37Å; V198-M365 HydrophobicContact CG1-CE 3.8Å; V198-M365 HydrophobicContact CG2-CE 4.32Å; F201-M365 HydrophobicContact CD1-CE 3.75Å; I361-M365 HydrophobicContact CG2-CE 4.45Å; I361-M365 HydrophobicContact CG2-CG 4.31Å; I361-M365 VanDerWaalsContact O-CG 3.23Å; I361-M365 WeakPolarHBondContact O-CG 3.06Å; I361-M365 PolarHBondContact O-N 3.42Å; A363-M365 PolarHBondContact O-N 3.03Å; M365-I368 HydrophobicContact SD-CD1 4.38Å; M365-R369 WeakPolarHBondContact O-CB 3.38Å; M365-R369 PolarHBondContact O-N 3.23Å
366	T	86	Confident	78.7	Confident	34 Å²	34	55.2 Å²	55.2	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-47.1	175.9	-57.9	0	0	0	0	110.5	R362 A363 A364 I368 R369 M370	R362-T366 VanDerWaalsContact O-CB 3.31Å; R362-T366 WeakPolarHBondContact O-CB 3.37Å; R362-T366 PolarHBondContact O-N 3.06Å; R362-T366 PolarHBondContact O-OG1 2.96Å; A363-T366 WeakPolarHBondContact O-CB 3.41Å; A363-T366 PolarHBondContact O-N 3.23Å; A364-T366 VanDerWaalsContact C-N 3.3Å; A364-T366 PolarHBondContact O-N 3.35Å; T366-I368 PolarHBondContact O-N 2.83Å; T366-R369 WeakPolarHBondContact O-CB 3.36Å; T366-R369 PolarHBondContact O-N 3.36Å; T366-M370 HydrophobicContact CG2-CG 4.41Å; T366-M370 VanDerWaalsContact O-CG 3.31Å; T366-M370 WeakPolarHBondContact O-CG 3.23Å; T366-M370 PolarHBondContact O-N 2.97Å
367	S	85.1	Confident	80.3	Confident	29 Å²	29	56.1 Å²	56.1	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-43.8	178.4	-61.9	0	0	0	0	112	A363 A364 R369 M370 L371 E486	A363-S367 PolarHBondContact O-N 3.4Å; A363-S367 PolarHBondContact O-OG 3.05Å; A364-S367 PolarHBondContact O-N 3.46Å; S367-R369 VanDerWaalsContact C-N 3.33Å; S367-R369 PolarHBondContact O-N 2.92Å; S367-M370 PolarHBondContact O-N 3.49Å; S367-L371 WeakPolarHBondContact O-CB 3.41Å; S367-L371 PolarHBondContact O-N 3Å; S367-E486 WeakPolarHBondContact CB-OE2 3.38Å; S367-E486 VanDerWaalsContact OG-CD 3.22Å; S367-E486 PolarHBondContact OG-OE1 3.26Å; S367-E486 PolarHBondContact OG-OE2 3.08Å
368	I	86.8	Confident	80.8	Confident	7 Å²	7	56.1 Å²	56.1	4%	0.036	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-42.6	174.2	-66.9	160	0	0	0	111.2	V198 A364 M365 T366 R372 T483 Y484	V198-I368 HydrophobicContact CG1-CD1 4.1Å; V198-I368 HydrophobicContact CG2-CD1 4Å; A364-I368 WeakPolarHBondContact O-CB 3.26Å; A364-I368 WeakPolarHBondContact O-CD1 3.14Å; A364-I368 WeakPolarHBondContact O-CG1 3.47Å; A364-I368 PolarHBondContact O-N 2.95Å; M365-I368 HydrophobicContact SD-CD1 4.38Å; T366-I368 PolarHBondContact O-N 2.83Å; I368-R372 WeakPolarHBondContact O-CB 3.47Å; I368-R372 WeakPolarHBondContact O-CG 3.34Å; I368-R372 PolarHBondContact O-N 3.45Å; I368-T483 HydrophobicContact CG1-CG2 4.2Å; I368-Y484 HydrophobicContact CB-CE1 4.41Å; I368-Y484 HydrophobicContact CD1-CD1 3.26Å; I368-Y484 HydrophobicContact CD1-CE1 3.42Å; I368-Y484 VanDerWaalsContact CD1-CE1 3.42Å; I368-Y484 HydrophobicContact CD1-CG 3.97Å; I368-Y484 HydrophobicContact CG1-CD1 3.63Å; I368-Y484 HydrophobicContact CG1-CD2 4.11Å; I368-Y484 HydrophobicContact CG1-CE1 3.65Å; I368-Y484 HydrophobicContact CG1-CE2 4.1Å; I368-Y484 HydrophobicContact CG1-CG 3.91Å; I368-Y484 HydrophobicContact CG2-CE1 3.82Å; I368-Y484 HydrophobicContact CG2-CE2 4.24Å
369	R	86.2	Confident	81.2	Confident	106 Å²	106	52.9 Å²	52.9	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-44.7	178.1	-172.9	-173.2	-54.7	120.6	16.1	111.8	E268 M365 T366 S367 R372 G373	E268-R369 PolarHBondContact O-NH2 2.88Å; E268-R369 IonicContact OE2-CZ 2.78Å; E268-R369 VanDerWaalsContact OE2-CZ 3.26Å; E268-R369 IonicContact OE2-NH1 3.61Å; E268-R369 PolarHBondContact OE2-NH1 3.4Å; E268-R369 IonicContact OE2-NH2 3.88Å; E268-R369 PolarHBondContact OE2-NH2 3.41Å; M365-R369 WeakPolarHBondContact O-CB 3.38Å; M365-R369 PolarHBondContact O-N 3.23Å; T366-R369 WeakPolarHBondContact O-CB 3.36Å; T366-R369 PolarHBondContact O-N 3.36Å; S367-R369 VanDerWaalsContact C-N 3.33Å; S367-R369 PolarHBondContact O-N 2.92Å; R369-R372 PolarHBondContact O-N 2.78Å; R369-G373 PolarHBondContact O-N 3.3Å
370	M	86.1	Confident	81.2	Confident	117 Å²	117	53.6 Å²	53.6	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-48.3	177.7	-70.7	-64.6	-64.5	0	0	110.7	T366 S367 R372 G373 D374	T366-M370 HydrophobicContact CG2-CG 4.41Å; T366-M370 VanDerWaalsContact O-CG 3.31Å; T366-M370 WeakPolarHBondContact O-CG 3.23Å; T366-M370 PolarHBondContact O-N 2.97Å; S367-M370 PolarHBondContact O-N 3.49Å; M370-R372 VanDerWaalsContact C-N 3.32Å; M370-R372 PolarHBondContact O-N 2.56Å; M370-G373 PolarHBondContact O-N 2.93Å; M370-D374 PolarHBondContact O-N 3.29Å; M370-D374 VanDerWaalsContact O-N 3.12Å
371	L	86.3	Confident	81.5	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-55.5	-47.6	175.2	176.9	65.2	0	0	0	111.4	S367 D374 L375 V479 V480 T483	S367-L371 WeakPolarHBondContact O-CB 3.41Å; S367-L371 PolarHBondContact O-N 3Å; L371-D374 PolarHBondContact O-N 2.86Å; L371-L375 HydrophobicContact CG-CD1 4.4Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.41Å; L371-L375 PolarHBondContact O-N 3.18Å; L371-V479 HydrophobicContact CD1-CG1 4.38Å; L371-V480 HydrophobicContact CD2-CG2 4.18Å; L371-T483 HydrophobicContact CB-CG2 4.19Å; L371-T483 HydrophobicContact CD2-CG2 3.97Å
372	R	85.3	Confident	81.9	Confident	71 Å²	71	57.8 Å²	57.8	27%	0.268	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-37.5	-179.6	-75.1	172.6	168.3	-123.4	-0.8	113.2	N270 E273 I368 R369 M370 D374 L375 L434 Y484	N270-R372 PolarHBondContact ND2-NH1 3.3Å; N270-R372 PolarHBondContact OD1-NH1 2.67Å; E273-R372 IonicContact OE1-CZ 2.62Å; E273-R372 IonicContact OE1-NH2 3.51Å; E273-R372 PolarHBondContact OE1-NH2 3.37Å; I368-R372 WeakPolarHBondContact O-CB 3.47Å; I368-R372 WeakPolarHBondContact O-CG 3.34Å; I368-R372 PolarHBondContact O-N 3.45Å; R369-R372 PolarHBondContact O-N 2.78Å; M370-R372 VanDerWaalsContact C-N 3.32Å; M370-R372 PolarHBondContact O-N 2.56Å; R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 2.81Å; R372-L375 PolarHBondContact O-N 2.82Å; R372-L434 HydrophobicContact CG-CD2 4.15Å; R372-Y484 PolarHBondContact NE-OH 3.08Å; R372-Y484 PolarHBondContact NH2-OH 2.75Å
373	G	84.1	Confident	82.3	Confident	64 Å²	64	54.1 Å²	54.1	66%	0.66	32%	0.315	S	S	*	.	H	α-helix	trans	-65.7	-30.3	177.7	0	0	0	0	0	113.2	R369 M370	R369-G373 PolarHBondContact O-N 3.3Å; M370-G373 PolarHBondContact O-N 2.93Å
374	D	81.6	Confident	82.9	Confident	63 Å²	63	58.8 Å²	58.8	34%	0.337	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.3	179.1	-77.1	-1.2	0	0	0	114	M370 L371 R372 K441 T530	M370-D374 PolarHBondContact O-N 3.29Å; M370-D374 VanDerWaalsContact O-N 3.12Å; L371-D374 PolarHBondContact O-N 2.86Å; R372-D374 VanDerWaalsContact C-N 3.27Å; R372-D374 PolarHBondContact O-N 2.81Å; D374-K441 PolarHBondContact O-NZ 3.42Å; D374-T530 WeakPolarHBondContact OD2-CB 3.23Å; D374-T530 PolarHBondContact OD2-OG1 3.39Å
375	L	84.9	Confident	83.4	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.063	36%	0.356	C	S	.	.	S	Bend	trans	-90.1	144.8	-178.7	-71	173.3	0	0	0	111.8	L371 R372 S377 L434 R437 L438	L371-L375 HydrophobicContact CG-CD1 4.4Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.41Å; L371-L375 PolarHBondContact O-N 3.18Å; R372-L375 PolarHBondContact O-N 2.82Å; L375-S377 PolarHBondContact O-N 3.07Å; L375-L434 HydrophobicContact CD1-CB 4.38Å; L375-L434 HydrophobicContact CD1-CD2 3.95Å; L375-R437 HydrophobicContact CB-CB 4.43Å; L375-R437 HydrophobicContact CD1-CB 4.28Å; L375-R437 HydrophobicContact CD2-CB 4.06Å; L375-R437 HydrophobicContact CG-CB 4.49Å; L375-L438 HydrophobicContact CD2-CB 3.79Å; L375-L438 HydrophobicContact CD2-CD1 4.07Å
376	P	75.5	Confident	83.7	Confident	53 Å²	53	60.9 Å²	60.9	34%	0.344	35%	0.354	S	S	.	.			trans	-61.6	136.7	-178.8	-19	30.9	0	0	0	112.4	N378 K441	P376-N378 PolarHBondContact O-N 3.29Å; P376-K441 HydrophobicContact CG-CB 4.37Å
377	S	68.8	Low	84.2	Confident	123 Å²	123	60.8 Å²	60.8	86%	0.86	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.6	176.1	-53.9	0	0	0	0	114	L375 G379	L375-S377 PolarHBondContact O-N 3.07Å; S377-G379 PolarHBondContact O-N 3.21Å
378	N	60.6	Low	84.7	Confident	129 Å²	129	63 Å²	63	69%	0.69	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	4.7	-173	-61	-5.8	0	0	0	114.1	P376	P376-N378 PolarHBondContact O-N 3.29Å
379	G	67.9	Low	85.2	Confident	27 Å²	27	63.2 Å²	63.2	28%	0.278	37%	0.369	S	S	.	.			trans	83.7	-161.1	178.4	0	0	0	0	0	113.6	S377 Q381	S377-G379 PolarHBondContact O-N 3.21Å; G379-Q381 PolarHBondContact O-N 2.85Å; G379-Q381 VanDerWaalsContact O-N 3.13Å
380	D	79.6	Confident	85.7	Confident	66 Å²	66	58.3 Å²	58.3	35%	0.353	35%	0.351	S	S	.	.	S	Bend	trans	-86.2	29.4	-172.5	-51.5	-26.2	0	0	0	112.6	V436 R437	D380-V436 HydrophobicContact CB-CG1 4.39Å; D380-R437 IonicContact OD1-CZ 3.21Å; D380-R437 VanDerWaalsContact OD1-CZ 3.31Å; D380-R437 IonicContact OD1-NE 2.78Å; D380-R437 PolarHBondContact OD1-NE 3.12Å; D380-R437 IonicContact OD1-NH2 3.23Å; D380-R437 PolarHBondContact OD1-NH2 3.08Å
381	Q	87.9	Confident	86.2	Confident	123 Å²	123	60 Å²	60	58%	0.575	36%	0.355	S	S	*	.	S	Bend	trans	-119	151.6	-173.3	-66.2	-62	-31.3	0	0	111.6	G379	G379-Q381 PolarHBondContact O-N 2.85Å; G379-Q381 VanDerWaalsContact O-N 3.13Å
382	P	91.1	Very high	86.6	Confident	34 Å²	34	62.1 Å²	62.1	22%	0.221	37%	0.366	C	S	.	.			trans	-64.4	150	175.7	28.2	-34.4	0	0	0	111.1	L386 F390 Y440	P382-L386 HydrophobicContact CB-CB 4.17Å; P382-L386 HydrophobicContact CB-CD2 3.93Å; P382-L386 HydrophobicContact CB-CG 4.2Å; P382-F390 HydrophobicContact CB-CE2 4.32Å; P382-Y440 HydrophobicContact CB-CD1 4.2Å; P382-Y440 HydrophobicContact CB-CE1 4.07Å
383	S	93.3	Very high	87.1	Confident	26 Å²	26	59.2 Å²	59.2	18%	0.182	36%	0.357	C	S	.	.			trans	-66.9	166.5	172.7	81.2	0	0	0	0	111.4	T385 L386 A387 E444	S383-T385 VanDerWaalsContact C-N 3.27Å; S383-T385 PolarHBondContact O-N 3.5Å; S383-T385 PolarHBondContact OG-N 3.43Å; S383-L386 PolarHBondContact O-N 3.13Å; S383-L386 PolarHBondContact OG-N 3.34Å; S383-A387 WeakPolarHBondContact O-CB 3.29Å; S383-A387 PolarHBondContact O-N 3.48Å; S383-E444 VanDerWaalsContact CB-OE2 3.26Å; S383-E444 WeakPolarHBondContact CB-OE2 3.43Å; S383-E444 PolarHBondContact OG-OE2 3Å
384	T	93.1	Very high	87.7	Confident	120 Å²	120	61.6 Å²	61.6	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-60.9	-37.2	173.1	51.7	0	0	0	0	112.3	T388	T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 VanDerWaalsContact O-N 3.12Å; T384-T388 PolarHBondContact O-OG1 3.37Å
385	T	94.3	Very high	88.4	Confident	55 Å²	55	62.5 Å²	62.5	34%	0.337	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-46.5	174	-56.6	0	0	0	0	111.3	S383 A387 T388 Y389 E444	S383-T385 VanDerWaalsContact C-N 3.27Å; S383-T385 PolarHBondContact O-N 3.5Å; S383-T385 PolarHBondContact OG-N 3.43Å; T385-A387 PolarHBondContact O-N 2.86Å; T385-T388 WeakPolarHBondContact O-CA 3.22Å; T385-T388 VanDerWaalsContact O-CB 3.29Å; T385-T388 WeakPolarHBondContact O-CB 3.19Å; T385-T388 PolarHBondContact O-N 3.17Å; T385-Y389 HydrophobicContact CG2-CD2 4.46Å; T385-Y389 HydrophobicContact CG2-CE2 3.99Å; T385-Y389 PolarHBondContact O-N 2.92Å; T385-E444 HydrophobicContact CG2-CG 4.44Å
386	L	94.5	Very high	89	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.4	-40.7	-179.5	-170.5	59.3	0	0	0	111.9	P382 S383 T388 Y389 F390 Y440 M443 E444 L447	P382-L386 HydrophobicContact CB-CB 4.17Å; P382-L386 HydrophobicContact CB-CD2 3.93Å; P382-L386 HydrophobicContact CB-CG 4.2Å; S383-L386 PolarHBondContact O-N 3.13Å; S383-L386 PolarHBondContact OG-N 3.34Å; L386-T388 PolarHBondContact O-N 3.43Å; L386-Y389 HydrophobicContact CD1-CD2 4.43Å; L386-Y389 PolarHBondContact O-N 2.93Å; L386-Y389 VanDerWaalsContact O-N 3.17Å; L386-F390 HydrophobicContact CD1-CE1 3.95Å; L386-F390 HydrophobicContact CD1-CZ 4.23Å; L386-F390 HydrophobicContact CD2-CZ 4.13Å; L386-F390 HydrophobicContact CG-CE1 4Å; L386-F390 HydrophobicContact CG-CE2 4.36Å; L386-F390 HydrophobicContact CG-CZ 3.82Å; L386-F390 PolarHBondContact O-N 2.8Å; L386-F390 VanDerWaalsContact O-N 3.11Å; L386-Y440 HydrophobicContact CD2-CD1 3.47Å; L386-Y440 VanDerWaalsContact CD2-CD1 3.47Å; L386-Y440 HydrophobicContact CD2-CE1 4.29Å; L386-Y440 HydrophobicContact CD2-CG 4.11Å; L386-M443 HydrophobicContact CD1-CG 4.16Å; L386-M443 HydrophobicContact CD1-SD 3.95Å; L386-M443 HydrophobicContact CD2-SD 4.23Å; L386-E444 HydrophobicContact CD1-CB 4.25Å; L386-L447 HydrophobicContact CD1-CD1 3.56Å
387	A	95	Very high	90	Very high	32 Å²	32	63.1 Å²	63.1	26%	0.264	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-28.4	171.9	0	0	0	0	0	112.7	S383 T385 K391	S383-A387 WeakPolarHBondContact O-CB 3.29Å; S383-A387 PolarHBondContact O-N 3.48Å; T385-A387 PolarHBondContact O-N 2.86Å; A387-K391 WeakPolarHBondContact O-CG 3.31Å; A387-K391 PolarHBondContact O-N 3.36Å; A387-K391 VanDerWaalsContact O-N 3.15Å
388	T	96.1	Very high	91.3	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-72.5	-42.4	175.7	-55.9	0	0	0	0	111.1	T384 T385 L386 F390 K391 N392	T384-T388 PolarHBondContact O-N 3.4Å; T384-T388 VanDerWaalsContact O-N 3.12Å; T384-T388 PolarHBondContact O-OG1 3.37Å; T385-T388 WeakPolarHBondContact O-CA 3.22Å; T385-T388 VanDerWaalsContact O-CB 3.29Å; T385-T388 WeakPolarHBondContact O-CB 3.19Å; T385-T388 PolarHBondContact O-N 3.17Å; L386-T388 PolarHBondContact O-N 3.43Å; T388-F390 VanDerWaalsContact C-N 3.28Å; T388-F390 PolarHBondContact O-N 3.43Å; T388-K391 PolarHBondContact O-N 2.93Å; T388-N392 WeakPolarHBondContact O-CB 3.38Å; T388-N392 PolarHBondContact O-N 3.29Å; T388-N392 PolarHBondContact O-OD1 3.09Å
389	Y	97	Very high	93	Very high	13 Å²	13	61.2 Å²	61.2	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-38.2	172.1	-72.7	-61.5	0	0	0	112.5	T385 L386 N392 C393 L447 K448 E451 F459	T385-Y389 HydrophobicContact CG2-CD2 4.46Å; T385-Y389 HydrophobicContact CG2-CE2 3.99Å; T385-Y389 PolarHBondContact O-N 2.92Å; L386-Y389 HydrophobicContact CD1-CD2 4.43Å; L386-Y389 PolarHBondContact O-N 2.93Å; L386-Y389 VanDerWaalsContact O-N 3.17Å; Y389-N392 PolarHBondContact O-N 3.4Å; Y389-C393 PolarHBondContact O-N 3.28Å; Y389-C393 PolarHBondContact O-SG 2.92Å; Y389-L447 HydrophobicContact CD2-CB 4.06Å; Y389-L447 HydrophobicContact CD2-CD1 3.83Å; Y389-L447 HydrophobicContact CE2-CB 3.93Å; Y389-L447 HydrophobicContact CG-CB 4.42Å; Y389-L447 HydrophobicContact CG-CD1 3.96Å; Y389-K448 HydrophobicContact CE2-CG 4.38Å; Y389-K448 WeakPolarHBondContact OH-CG 3.34Å; Y389-E451 WeakPolarHBondContact CE1-OE2 3.46Å; Y389-E451 PolarHBondContact OH-OE2 3.04Å; Y389-F459 HydrophobicContact CD1-CD2 4.14Å; Y389-F459 AromaticContact CD1-CE2 3.99Å; Y389-F459 HydrophobicContact CD1-CE2 3.99Å; Y389-F459 AromaticContact CE1-CE2 3.93Å; Y389-F459 HydrophobicContact CE1-CE2 3.93Å
390	F	96.9	Very high	94.3	Very high	3 Å²	3	64.1 Å²	64.1	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-47.8	176.2	-65.7	-8	0	0	0	111.6	P382 L386 T388 N392 C393 P397 M443 L463	P382-F390 HydrophobicContact CB-CE2 4.32Å; L386-F390 HydrophobicContact CD1-CE1 3.95Å; L386-F390 HydrophobicContact CD1-CZ 4.23Å; L386-F390 HydrophobicContact CD2-CZ 4.13Å; L386-F390 HydrophobicContact CG-CE1 4Å; L386-F390 HydrophobicContact CG-CE2 4.36Å; L386-F390 HydrophobicContact CG-CZ 3.82Å; L386-F390 PolarHBondContact O-N 2.8Å; L386-F390 VanDerWaalsContact O-N 3.11Å; T388-F390 VanDerWaalsContact C-N 3.28Å; T388-F390 PolarHBondContact O-N 3.43Å; F390-N392 VanDerWaalsContact C-N 3.26Å; F390-N392 PolarHBondContact O-N 3.27Å; F390-C393 VanDerWaalsContact O-CB 3.27Å; F390-C393 WeakPolarHBondContact O-CB 3.4Å; F390-C393 PolarHBondContact O-N 3.34Å; F390-C393 VanDerWaalsContact O-N 3.12Å; F390-P397 HydrophobicContact CB-CG 4.08Å; F390-P397 HydrophobicContact CD1-CG 3.78Å; F390-P397 HydrophobicContact CE1-CG 4.39Å; F390-P397 HydrophobicContact CG-CG 3.93Å; F390-M443 HydrophobicContact CE1-SD 3.85Å; F390-M443 HydrophobicContact CZ-SD 3.96Å; F390-L463 HydrophobicContact CD1-CD1 4.08Å; F390-L463 HydrophobicContact CE1-CD1 4.35Å; F390-L463 HydrophobicContact CE1-CD2 4.24Å
391	K	96.1	Very high	95.2	Very high	153 Å²	153	61 Å²	61	67%	0.665	34%	0.336	S	S	*	.	H	α-helix	trans	-65.2	-27.8	177.5	-71.4	179.5	179.1	-176.2	0	113.9	A387 T388 C393	A387-K391 WeakPolarHBondContact O-CG 3.31Å; A387-K391 PolarHBondContact O-N 3.36Å; A387-K391 VanDerWaalsContact O-N 3.15Å; T388-K391 PolarHBondContact O-N 2.93Å; K391-C393 PolarHBondContact O-N 3.23Å
392	N	95.2	Very high	95.6	Very high	63 Å²	63	59.6 Å²	59.6	34%	0.337	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6	177.2	-71.5	-6.5	0	0	0	113.3	T388 Y389 F390 Q457 N458	T388-N392 WeakPolarHBondContact O-CB 3.38Å; T388-N392 PolarHBondContact O-N 3.29Å; T388-N392 PolarHBondContact O-OD1 3.09Å; Y389-N392 PolarHBondContact O-N 3.4Å; F390-N392 VanDerWaalsContact C-N 3.26Å; F390-N392 PolarHBondContact O-N 3.27Å; N392-Q457 PolarHBondContact ND2-OE1 3.09Å; N392-N458 PolarHBondContact O-ND2 2.68Å
393	C	96.1	Very high	95.9	Very high	11 Å²	11	64.6 Å²	64.6	7%	0.074	35%	0.348	C	S	.	.	S	Bend	trans	-75.2	145.2	175.6	-68.9	0	0	0	0	111.5	Y389 F390 K391 V395 L463	Y389-C393 PolarHBondContact O-N 3.28Å; Y389-C393 PolarHBondContact O-SG 2.92Å; F390-C393 VanDerWaalsContact O-CB 3.27Å; F390-C393 WeakPolarHBondContact O-CB 3.4Å; F390-C393 PolarHBondContact O-N 3.34Å; F390-C393 VanDerWaalsContact O-N 3.12Å; K391-C393 PolarHBondContact O-N 3.23Å; C393-V395 WeakPolarHBondContact CB-O 3.35Å; C393-V395 PolarHBondContact O-N 2.6Å; C393-L463 VanDerWaalsContact SG-CD1 3.6Å
394	T	96.2	Very high	96	Very high	113 Å²	113	65.4 Å²	65.4	69%	0.693	35%	0.347	S	S	*	.	S	Bend	trans	-56.6	-38.7	171.9	-54.4	0	0	0	0	111.9	N458	T394-N458 PolarHBondContact N-ND2 2.76Å; T394-N458 PolarHBondContact OG1-ND2 2.87Å
395	V	96.4	Very high	96.2	Very high	83 Å²	83	60.4 Å²	60.4	50%	0.503	32%	0.316	S	S	.	.	S	Bend	trans	-117.4	115.2	168.1	-178.2	0	0	0	0	107.2	C393 P397 S460 N464	C393-V395 WeakPolarHBondContact CB-O 3.35Å; C393-V395 PolarHBondContact O-N 2.6Å; V395-P397 WeakPolarHBondContact O-CD 3.25Å; V395-S460 PolarHBondContact N-OG 2.76Å; V395-S460 VanDerWaalsContact N-OG 3.09Å; V395-N464 PolarHBondContact O-ND2 2.91Å
396	D	96.8	Very high	96.3	Very high	77 Å²	77	62.8 Å²	62.8	41%	0.412	32%	0.323	S	S	.	.			trans	-67.8	115.2	179.9	-175.9	-18.5	0	0	0	110.2	T398	D396-T398 VanDerWaalsContact C-N 3.31Å; D396-T398 PolarHBondContact O-N 3.03Å; D396-T398 VanDerWaalsContact OD1-CB 3.22Å; D396-T398 WeakPolarHBondContact OD1-CB 3.47Å; D396-T398 PolarHBondContact OD1-N 3.39Å; D396-T398 PolarHBondContact OD1-OG1 3.06Å
397	P	96.9	Very high	96.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.			trans	-83.3	-0.7	-174.4	36.9	-39.2	0	0	0	113.8	F390 V395 Q399 D400 V401 L463	F390-P397 HydrophobicContact CB-CG 4.08Å; F390-P397 HydrophobicContact CD1-CG 3.78Å; F390-P397 HydrophobicContact CE1-CG 4.39Å; F390-P397 HydrophobicContact CG-CG 3.93Å; V395-P397 WeakPolarHBondContact O-CD 3.25Å; P397-Q399 PolarHBondContact O-N 3.19Å; P397-D400 PolarHBondContact O-N 2.93Å; P397-V401 HydrophobicContact CB-CG2 4.16Å; P397-V401 WeakPolarHBondContact O-CB 3.44Å; P397-V401 VanDerWaalsContact O-CG2 3.31Å; P397-V401 WeakPolarHBondContact O-CG2 3.22Å; P397-V401 PolarHBondContact O-N 2.83Å; P397-L463 HydrophobicContact CB-CB 4.38Å; P397-L463 WeakPolarHBondContact CB-O 3.39Å; P397-L463 HydrophobicContact CG-CB 3.98Å
398	T	96	Very high	96.5	Very high	51 Å²	51	66.2 Å²	66.2	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-53.9	-50.2	-167.7	-61.1	0	0	0	0	113.1	D396 Q402	D396-T398 VanDerWaalsContact C-N 3.31Å; D396-T398 PolarHBondContact O-N 3.03Å; D396-T398 VanDerWaalsContact OD1-CB 3.22Å; D396-T398 WeakPolarHBondContact OD1-CB 3.47Å; D396-T398 PolarHBondContact OD1-N 3.39Å; D396-T398 PolarHBondContact OD1-OG1 3.06Å; T398-Q402 PolarHBondContact O-N 3.33Å
399	Q	96.2	Very high	96.6	Very high	162 Å²	162	63 Å²	63	76%	0.757	32%	0.322	S	S	*	.	H	α-helix	trans	-68.7	-40.8	-177.5	-66.4	-175.3	2.6	0	0	112	P397 Q402 K403	P397-Q399 PolarHBondContact O-N 3.19Å; Q399-Q402 PolarHBondContact O-N 3.33Å; Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 PolarHBondContact O-N 3.37Å
400	D	96.6	Very high	96.5	Very high	88 Å²	88	68.3 Å²	68.3	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-39.6	179.5	-75.6	-18.8	0	0	0	111.7	P397 R404	P397-D400 PolarHBondContact O-N 2.93Å; D400-R404 VanDerWaalsContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CB 3.4Å; D400-R404 PolarHBondContact O-N 3.13Å
401	V	97.3	Very high	96.4	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-47.8	173.8	171.5	0	0	0	0	110.4	P397 R404 L405 Y439 Y440	P397-V401 HydrophobicContact CB-CG2 4.16Å; P397-V401 WeakPolarHBondContact O-CB 3.44Å; P397-V401 VanDerWaalsContact O-CG2 3.31Å; P397-V401 WeakPolarHBondContact O-CG2 3.22Å; P397-V401 PolarHBondContact O-N 2.83Å; V401-R404 WeakPolarHBondContact O-CB 3.47Å; V401-R404 PolarHBondContact O-N 2.85Å; V401-L405 HydrophobicContact CG1-CD1 4.38Å; V401-L405 WeakPolarHBondContact O-CG 3.31Å; V401-L405 PolarHBondContact O-N 3.18Å; V401-Y439 HydrophobicContact CG1-CE1 4.43Å; V401-Y440 HydrophobicContact CG1-CE1 4.27Å
402	Q	95.9	Very high	96.5	Very high	92 Å²	92	62.6 Å²	62.6	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-49.3	179.3	-176.5	177.7	-9.1	0	0	111.8	T398 Q399 R404 L405 E406	T398-Q402 PolarHBondContact O-N 3.33Å; Q399-Q402 PolarHBondContact O-N 3.33Å; Q402-R404 VanDerWaalsContact C-N 3.27Å; Q402-R404 PolarHBondContact O-N 3.43Å; Q402-L405 PolarHBondContact O-N 3.44Å; Q402-L405 VanDerWaalsContact O-N 3.16Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.38Å; Q402-E406 PolarHBondContact NE2-OE1 2.79Å; Q402-E406 VanDerWaalsContact NE2-OE1 3.08Å; Q402-E406 WeakPolarHBondContact O-CG 3.35Å; Q402-E406 PolarHBondContact O-N 3.02Å
403	K	97.2	Very high	96.4	Very high	139 Å²	139	59.7 Å²	59.7	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-59.6	-38.3	178.1	-175.8	178.8	179.2	-178.2	0	112.2	Q399 E406 T407	Q399-K403 WeakPolarHBondContact O-CB 3.33Å; Q399-K403 PolarHBondContact O-N 3.37Å; K403-E406 PolarHBondContact O-N 3.4Å; K403-T407 WeakPolarHBondContact O-CB 3.41Å; K403-T407 PolarHBondContact O-N 3.42Å; K403-T407 PolarHBondContact O-OG1 3.17Å
404	R	97	Very high	96.3	Very high	43 Å²	43	64.7 Å²	64.7	16%	0.162	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-47.8	175.5	-174.1	-177.7	-59.1	125.4	2.8	111.2	D400 V401 Q402 E406 T407 L408 H469	D400-R404 VanDerWaalsContact O-CB 3.24Å; D400-R404 WeakPolarHBondContact O-CB 3.4Å; D400-R404 PolarHBondContact O-N 3.13Å; V401-R404 WeakPolarHBondContact O-CB 3.47Å; V401-R404 PolarHBondContact O-N 2.85Å; Q402-R404 VanDerWaalsContact C-N 3.27Å; Q402-R404 PolarHBondContact O-N 3.43Å; R404-E406 VanDerWaalsContact C-N 3.34Å; R404-E406 PolarHBondContact O-N 3.15Å; R404-T407 PolarHBondContact O-N 2.72Å; R404-L408 HydrophobicContact CG-CD1 3.78Å; R404-L408 HydrophobicContact CG-CG 4.29Å; R404-L408 WeakPolarHBondContact O-CB 3.34Å; R404-L408 VanDerWaalsContact O-CG 3.32Å; R404-L408 WeakPolarHBondContact O-CG 3.23Å; R404-L408 PolarHBondContact O-N 3.31Å; R404-H469 PolarHBondContact NH1-CD2 3.03Å
405	L	97	Very high	96.1	Very high	16 Å²	16	63.8 Å²	63.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-40.7	178.4	-67	-178.3	0	0	0	112.2	V401 Q402 G409 F432 V436 Y439 Y440 L473	V401-L405 HydrophobicContact CG1-CD1 4.38Å; V401-L405 WeakPolarHBondContact O-CG 3.31Å; V401-L405 PolarHBondContact O-N 3.18Å; Q402-L405 PolarHBondContact O-N 3.44Å; Q402-L405 VanDerWaalsContact O-N 3.16Å; L405-G409 WeakPolarHBondContact O-CA 3.23Å; L405-G409 PolarHBondContact O-N 3.46Å; L405-F432 WeakPolarHBondContact O-CE1 3.45Å; L405-F432 WeakPolarHBondContact O-CZ 3.28Å; L405-V436 HydrophobicContact CD1-CG1 3.95Å; L405-V436 HydrophobicContact CD1-CG2 4.44Å; L405-V436 HydrophobicContact CD2-CG2 4.19Å; L405-Y439 HydrophobicContact CD1-CE1 4.19Å; L405-Y439 HydrophobicContact CD2-CD1 4.41Å; L405-Y439 HydrophobicContact CD2-CE1 4.09Å; L405-Y440 HydrophobicContact CD1-CE1 4.45Å; L405-Y440 HydrophobicContact CD1-CE2 4.04Å; L405-Y440 WeakPolarHBondContact CD1-OH 3.37Å; L405-L473 HydrophobicContact CD2-CD1 4.05Å; L405-L473 HydrophobicContact CD2-CD2 3.76Å; L405-L473 HydrophobicContact CD2-CG 4.46Å
406	E	96.2	Very high	95.9	Very high	104 Å²	104	59.9 Å²	59.9	49%	0.486	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-46.7	176.5	-71.9	172.4	-169.5	0	0	111.7	Q402 K403 R404 G409 Q410	Q402-E406 WeakPolarHBondContact CG-OE1 3.38Å; Q402-E406 PolarHBondContact NE2-OE1 2.79Å; Q402-E406 VanDerWaalsContact NE2-OE1 3.08Å; Q402-E406 WeakPolarHBondContact O-CG 3.35Å; Q402-E406 PolarHBondContact O-N 3.02Å; K403-E406 PolarHBondContact O-N 3.4Å; R404-E406 VanDerWaalsContact C-N 3.34Å; R404-E406 PolarHBondContact O-N 3.15Å; E406-G409 PolarHBondContact O-N 2.88Å; E406-Q410 WeakPolarHBondContact O-CG 3.26Å; E406-Q410 PolarHBondContact O-N 2.88Å; E406-Q410 VanDerWaalsContact O-N 3.15Å
407	T	97	Very high	95.5	Very high	82 Å²	82	56.4 Å²	56.4	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-49.6	-179.7	-54.4	0	0	0	0	111.4	K403 R404 G409 Q410 A411	K403-T407 WeakPolarHBondContact O-CB 3.41Å; K403-T407 PolarHBondContact O-N 3.42Å; K403-T407 PolarHBondContact O-OG1 3.17Å; R404-T407 PolarHBondContact O-N 2.72Å; T407-G409 VanDerWaalsContact C-N 3.32Å; T407-G409 PolarHBondContact O-N 3.43Å; T407-Q410 PolarHBondContact O-N 3.11Å; T407-A411 PolarHBondContact O-N 2.83Å
408	L	97.1	Very high	95.1	Very high	23 Å²	23	60.8 Å²	60.8	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-67.8	-33.4	179.7	-65.9	179.8	0	0	0	111.8	R404 A411 F412 F432 T470 L473 L510	R404-L408 HydrophobicContact CG-CD1 3.78Å; R404-L408 HydrophobicContact CG-CG 4.29Å; R404-L408 WeakPolarHBondContact O-CB 3.34Å; R404-L408 VanDerWaalsContact O-CG 3.32Å; R404-L408 WeakPolarHBondContact O-CG 3.23Å; R404-L408 PolarHBondContact O-N 3.31Å; L408-A411 PolarHBondContact O-N 2.84Å; L408-F412 VanDerWaalsContact O-CB 3.22Å; L408-F412 WeakPolarHBondContact O-CB 3.46Å; L408-F412 PolarHBondContact O-N 3.49Å; L408-F432 HydrophobicContact CB-CE2 4.31Å; L408-F432 HydrophobicContact CB-CZ 4.24Å; L408-T470 HydrophobicContact CD1-CG2 4.29Å; L408-L473 HydrophobicContact CB-CD2 4.25Å; L408-L473 HydrophobicContact CD1-CD2 3.7Å; L408-L510 HydrophobicContact CB-CD2 4.05Å; L408-L510 HydrophobicContact CD1-CD2 4.36Å; L408-L510 HydrophobicContact CD2-CD2 3.95Å; L408-L510 HydrophobicContact CG-CD2 4.34Å
409	G	96.9	Very high	94.6	Very high	7 Å²	7	58.8 Å²	58.8	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-37.9	176.7	0	0	0	0	0	113	L405 E406 T407 S413 F432	L405-G409 WeakPolarHBondContact O-CA 3.23Å; L405-G409 PolarHBondContact O-N 3.46Å; E406-G409 PolarHBondContact O-N 2.88Å; T407-G409 VanDerWaalsContact C-N 3.32Å; T407-G409 PolarHBondContact O-N 3.43Å; G409-S413 WeakPolarHBondContact O-CB 3.19Å; G409-S413 PolarHBondContact O-N 3.28Å; G409-S413 PolarHBondContact O-OG 2.96Å; G409-F432 VanDerWaalsContact CA-CE1 3.41Å; G409-F432 VanDerWaalsContact N-CZ 3.29Å
410	Q	95.6	Very high	93.9	Very high	123 Å²	123	51.1 Å²	51.1	58%	0.575	25%	0.254	S	S	*	.	H	α-helix	trans	-65	-50.5	173.3	-70.3	175.5	12.5	0	0	111.2	E406 T407 F412 S413 Q414	E406-Q410 WeakPolarHBondContact O-CG 3.26Å; E406-Q410 PolarHBondContact O-N 2.88Å; E406-Q410 VanDerWaalsContact O-N 3.15Å; T407-Q410 PolarHBondContact O-N 3.11Å; Q410-F412 PolarHBondContact O-N 2.85Å; Q410-S413 PolarHBondContact O-N 3.45Å; Q410-Q414 WeakPolarHBondContact O-CB 3.48Å; Q410-Q414 PolarHBondContact O-N 3.35Å
411	A	95.6	Very high	93.1	Very high	37 Å²	37	47 Å²	47	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-46.5	178.9	0	0	0	0	0	112	T407 L408 S413 Q414 K415	T407-A411 PolarHBondContact O-N 2.83Å; L408-A411 PolarHBondContact O-N 2.84Å; A411-S413 PolarHBondContact O-N 3.49Å; A411-Q414 PolarHBondContact O-N 3.25Å; A411-K415 WeakPolarHBondContact O-CB 3.43Å; A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 3.17Å
412	F	96.6	Very high	92	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-50.1	177	179.3	-85.1	0	0	0	111.9	L408 Q410 Q414 K415 F416 G428 R431 F432 L477 M481 W505 I506 V509	L408-F412 VanDerWaalsContact O-CB 3.22Å; L408-F412 WeakPolarHBondContact O-CB 3.46Å; L408-F412 PolarHBondContact O-N 3.49Å; Q410-F412 PolarHBondContact O-N 2.85Å; F412-Q414 VanDerWaalsContact C-N 3.33Å; F412-Q414 PolarHBondContact O-N 3.19Å; F412-K415 PolarHBondContact O-N 2.83Å; F412-F416 HydrophobicContact CE1-CB 4.49Å; F412-F416 HydrophobicContact CE1-CD2 4.29Å; F412-F416 HydrophobicContact CZ-CD2 4.42Å; F412-F416 VanDerWaalsContact O-CB 3.23Å; F412-F416 WeakPolarHBondContact O-CB 3.22Å; F412-F416 PolarHBondContact O-N 3.09Å; F412-G428 WeakPolarHBondContact CD1-O 3.13Å; F412-G428 WeakPolarHBondContact CE1-O 3.33Å; F412-R431 HydrophobicContact CE1-CB 4.21Å; F412-R431 HydrophobicContact CZ-CB 4.38Å; F412-F432 HydrophobicContact CB-CD2 3.78Å; F412-F432 HydrophobicContact CB-CE2 4.24Å; F412-F432 HydrophobicContact CD1-CB 3.83Å; F412-F432 AromaticContact CD1-CD2 3.98Å; F412-F432 HydrophobicContact CD1-CD2 3.98Å; F412-F432 HydrophobicContact CD1-CG 4.35Å; F412-F432 HydrophobicContact CD2-CD2 4.34Å; F412-F432 HydrophobicContact CE1-CB 4.16Å; F412-F432 HydrophobicContact CG-CB 4.49Å; F412-F432 AromaticContact CG-CD2 3.78Å; F412-F432 HydrophobicContact CG-CD2 3.78Å; F412-L477 HydrophobicContact CD2-CD1 4.06Å; F412-L477 HydrophobicContact CE2-CB 4.48Å; F412-L477 HydrophobicContact CE2-CD1 4.22Å; F412-L477 HydrophobicContact CE2-CD2 4.11Å; F412-L477 HydrophobicContact CZ-CD2 4.27Å; F412-M481 HydrophobicContact CZ-CG 4.46Å; F412-M481 HydrophobicContact CZ-SD 3.84Å; F412-W505 HydrophobicContact CD2-CH2 4.11Å; F412-W505 HydrophobicContact CD2-CZ3 4.17Å; F412-W505 AromaticContact CE2-CH2 3.79Å; F412-W505 HydrophobicContact CE2-CH2 3.79Å; F412-W505 AromaticContact CE2-CZ3 3.56Å; F412-W505 HydrophobicContact CE2-CZ3 3.56Å; F412-W505 HydrophobicContact CZ-CH2 4.16Å; F412-W505 HydrophobicContact CZ-CZ3 4.11Å; F412-I506 HydrophobicContact CD2-CD1 3.89Å; F412-I506 HydrophobicContact CE2-CD1 3.78Å; F412-V509 HydrophobicContact CB-CG1 4.08Å; F412-V509 HydrophobicContact CD2-CG1 4.03Å; F412-V509 HydrophobicContact CG-CG1 4.47Å
413	S	94.5	Very high	91.2	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-36.9	-175.4	-55	0	0	0	0	112.2	G409 Q410 A411 G417 R429	G409-S413 WeakPolarHBondContact O-CB 3.19Å; G409-S413 PolarHBondContact O-N 3.28Å; G409-S413 PolarHBondContact O-OG 2.96Å; Q410-S413 PolarHBondContact O-N 3.45Å; A411-S413 PolarHBondContact O-N 3.49Å; S413-G417 PolarHBondContact O-N 3.37Å; S413-R429 WeakPolarHBondContact OG-CA 3.48Å; S413-R429 WeakPolarHBondContact OG-CG 3.26Å; S413-R429 PolarHBondContact OG-N 3.44Å
414	Q	93.1	Very high	90.5	Very high	115 Å²	115	44.4 Å²	44.4	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-49.8	175.1	-177.2	177.5	-6.3	0	0	111.2	Q410 A411 F412 F416 G417 E418	Q410-Q414 WeakPolarHBondContact O-CB 3.48Å; Q410-Q414 PolarHBondContact O-N 3.35Å; A411-Q414 PolarHBondContact O-N 3.25Å; F412-Q414 VanDerWaalsContact C-N 3.33Å; F412-Q414 PolarHBondContact O-N 3.19Å; Q414-F416 VanDerWaalsContact C-N 3.26Å; Q414-F416 PolarHBondContact O-N 3.01Å; Q414-G417 PolarHBondContact O-N 3.36Å; Q414-G417 VanDerWaalsContact O-N 3.09Å; Q414-E418 PolarHBondContact NE2-OE1 3.3Å; Q414-E418 WeakPolarHBondContact O-CG 3.29Å; Q414-E418 PolarHBondContact O-N 3.24Å
415	K	92.5	Very high	90.1	Very high	94 Å²	94	44.6 Å²	44.6	41%	0.409	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-34.7	177.8	-73.3	-75.1	164.3	-153.8	0	112.5	A411 F412 E418 A419 W505 V509	A411-K415 WeakPolarHBondContact O-CB 3.43Å; A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 3.17Å; F412-K415 PolarHBondContact O-N 2.83Å; K415-E418 WeakPolarHBondContact CD-OE2 3.38Å; K415-E418 IonicContact NZ-OE2 2.64Å; K415-E418 PolarHBondContact NZ-OE2 3.33Å; K415-E418 PolarHBondContact O-N 3.21Å; K415-A419 WeakPolarHBondContact O-CB 3.49Å; K415-A419 PolarHBondContact O-N 3.09Å; K415-A419 VanDerWaalsContact O-N 3.09Å; K415-W505 HydrophobicContact CB-CZ2 4.11Å; K415-V509 HydrophobicContact CB-CG1 4.29Å; K415-V509 HydrophobicContact CB-CG2 3.94Å; K415-V509 HydrophobicContact CG-CG1 4.46Å; K415-V509 HydrophobicContact CG-CG2 4.31Å
416	F	91.4	Very high	89.6	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-46.6	172.2	-174.3	-79.8	0	0	0	111.1	I199 F412 Q414 E418 A419 V420 C424 Y427 R431 M481 L501 W505	I199-F416 HydrophobicContact CD1-CZ 4.35Å; F412-F416 HydrophobicContact CE1-CB 4.49Å; F412-F416 HydrophobicContact CE1-CD2 4.29Å; F412-F416 HydrophobicContact CZ-CD2 4.42Å; F412-F416 VanDerWaalsContact O-CB 3.23Å; F412-F416 WeakPolarHBondContact O-CB 3.22Å; F412-F416 PolarHBondContact O-N 3.09Å; Q414-F416 VanDerWaalsContact C-N 3.26Å; Q414-F416 PolarHBondContact O-N 3.01Å; F416-E418 PolarHBondContact O-N 3.35Å; F416-A419 PolarHBondContact O-N 3.47Å; F416-V420 HydrophobicContact CD1-CB 4.35Å; F416-V420 HydrophobicContact CD1-CG2 3.93Å; F416-V420 HydrophobicContact CD2-CG2 4.43Å; F416-V420 HydrophobicContact CE1-CB 4.01Å; F416-V420 HydrophobicContact CE1-CG1 4.35Å; F416-V420 HydrophobicContact CE1-CG2 3.6Å; F416-V420 HydrophobicContact CE2-CG2 4.16Å; F416-V420 HydrophobicContact CG-CG2 4.32Å; F416-V420 HydrophobicContact CZ-CG2 3.73Å; F416-V420 WeakPolarHBondContact O-CB 3.49Å; F416-V420 WeakPolarHBondContact O-CG2 3.49Å; F416-V420 PolarHBondContact O-N 2.91Å; F416-C424 HydrophobicContact CD1-CB 4.41Å; F416-C424 WeakPolarHBondContact CD1-O 2.91Å; F416-C424 HydrophobicContact CE1-CB 4.15Å; F416-C424 WeakPolarHBondContact CE1-O 3.31Å; F416-Y427 HydrophobicContact CE1-CD2 4.44Å; F416-R431 HydrophobicContact CE2-CG 4.43Å; F416-M481 HydrophobicContact CD2-CE 4.17Å; F416-M481 HydrophobicContact CE2-CE 3.78Å; F416-M481 HydrophobicContact CE2-SD 4.42Å; F416-L501 HydrophobicContact CD2-CD1 3.99Å; F416-L501 HydrophobicContact CD2-CD2 4.41Å; F416-L501 HydrophobicContact CE2-CD1 3.6Å; F416-L501 HydrophobicContact CZ-CD1 4.25Å; F416-W505 HydrophobicContact CB-CH2 4.32Å; F416-W505 HydrophobicContact CD2-CH2 4.39Å
417	G	88.8	Confident	89.1	Confident	4 Å²	4	41.4 Å²	41.4	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-39.1	174.9	0	0	0	0	0	113.3	S413 Q414 A419 G421	S413-G417 PolarHBondContact O-N 3.37Å; Q414-G417 PolarHBondContact O-N 3.36Å; Q414-G417 VanDerWaalsContact O-N 3.09Å; G417-A419 VanDerWaalsContact C-N 3.27Å; G417-A419 PolarHBondContact O-N 3.28Å; G417-G421 CarbonylContact C-O 3.43Å; G417-G421 WeakPolarHBondContact CA-O 3.4Å; G417-G421 CarbonylContact O-C 3.51Å; G417-G421 VanDerWaalsContact O-CA 3.26Å; G417-G421 WeakPolarHBondContact O-CA 3.39Å; G417-G421 PolarHBondContact O-N 2.87Å
418	E	88.4	Confident	88.8	Confident	92 Å²	92	37.5 Å²	37.5	43%	0.43	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-32.6	174.3	-72	170.5	-166.7	0	0	112.7	Q192 Q414 K415 F416	Q192-E418 PolarHBondContact OE1-O 2.69Å; Q414-E418 PolarHBondContact NE2-OE1 3.3Å; Q414-E418 WeakPolarHBondContact O-CG 3.29Å; Q414-E418 PolarHBondContact O-N 3.24Å; K415-E418 WeakPolarHBondContact CD-OE2 3.38Å; K415-E418 IonicContact NZ-OE2 2.64Å; K415-E418 PolarHBondContact NZ-OE2 3.33Å; K415-E418 PolarHBondContact O-N 3.21Å; F416-E418 PolarHBondContact O-N 3.35Å
419	A	84.9	Confident	88.5	Confident	10 Å²	10	43.3 Å²	43.3	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-83.3	-43.7	179.7	0	0	0	0	0	112.7	M193 K415 F416 G417 T499 L501	M193-A419 VanDerWaalsContact CG-O 3.3Å; M193-A419 WeakPolarHBondContact CG-O 3.47Å; K415-A419 WeakPolarHBondContact O-CB 3.49Å; K415-A419 PolarHBondContact O-N 3.09Å; K415-A419 VanDerWaalsContact O-N 3.09Å; F416-A419 PolarHBondContact O-N 3.47Å; G417-A419 VanDerWaalsContact C-N 3.27Å; G417-A419 PolarHBondContact O-N 3.28Å; A419-T499 WeakPolarHBondContact O-CB 3.46Å; A419-T499 WeakPolarHBondContact O-CG2 3.42Å; A419-L501 HydrophobicContact CB-CD2 3.68Å
420	V	82.5	Confident	88.2	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-94.1	-32.5	-171.1	-172.8	0	0	0	0	112.7	Q192 M193 I199 F416 C424 L501	Q192-V420 WeakPolarHBondContact CB-O 3.45Å; Q192-V420 PolarHBondContact N-O 2.85Å; M193-V420 HydrophobicContact CE-CG2 3.83Å; M193-V420 HydrophobicContact CG-CG2 4.41Å; M193-V420 PolarHBondContact N-O 3.29Å; M193-V420 HydrophobicContact SD-CG2 3.8Å; I199-V420 HydrophobicContact CD1-CG1 3.81Å; F416-V420 HydrophobicContact CD1-CB 4.35Å; F416-V420 HydrophobicContact CD1-CG2 3.93Å; F416-V420 HydrophobicContact CD2-CG2 4.43Å; F416-V420 HydrophobicContact CE1-CB 4.01Å; F416-V420 HydrophobicContact CE1-CG1 4.35Å; F416-V420 HydrophobicContact CE1-CG2 3.6Å; F416-V420 HydrophobicContact CE2-CG2 4.16Å; F416-V420 HydrophobicContact CG-CG2 4.32Å; F416-V420 HydrophobicContact CZ-CG2 3.73Å; F416-V420 WeakPolarHBondContact O-CB 3.49Å; F416-V420 WeakPolarHBondContact O-CG2 3.49Å; F416-V420 PolarHBondContact O-N 2.91Å; V420-C424 HydrophobicContact CB-CB 3.87Å; V420-C424 HydrophobicContact CG1-CB 3.89Å; V420-L501 HydrophobicContact CG2-CD1 3.69Å; V420-L501 HydrophobicContact CG2-CD2 4.48Å; V420-L501 HydrophobicContact CG2-CG 4.43Å
421	G	78.6	Confident	88	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	145.2	149.1	-177.5	0	0	0	0	0	112	G417 H423 C424	G417-G421 CarbonylContact C-O 3.43Å; G417-G421 WeakPolarHBondContact CA-O 3.4Å; G417-G421 CarbonylContact O-C 3.51Å; G417-G421 VanDerWaalsContact O-CA 3.26Å; G417-G421 WeakPolarHBondContact O-CA 3.39Å; G417-G421 PolarHBondContact O-N 2.87Å; G421-H423 PolarHBondContact O-N 3.35Å; G421-H423 VanDerWaalsContact O-N 3.1Å; G421-C424 WeakPolarHBondContact O-CA 3.34Å; G421-C424 WeakPolarHBondContact O-CB 3.35Å; G421-C424 PolarHBondContact O-N 2.88Å
422	P	75.1	Confident	88	Confident	87 Å²	87	38.5 Å²	38.5	57%	0.565	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-60.4	-29.7	-170.8	22.9	-33.9	0	0	0	113.8	C424	P422-C424 VanDerWaalsContact C-N 3.26Å; P422-C424 PolarHBondContact O-N 3.47Å
423	H	78.4	Confident	87.8	Confident	92 Å²	92	39.3 Å²	39.3	43%	0.426	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-80.6	-2.5	176.7	-59.3	-67.5	0	0	0	113.9	T280 G421	T280-H423 WeakPolarHBondContact O-CB 3.37Å; G421-H423 PolarHBondContact O-N 3.35Å; G421-H423 VanDerWaalsContact O-N 3.1Å
424	C	82.9	Confident	87.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-94.1	1.3	-173.2	-62.6	0	0	0	0	114.6	F416 V420 G421 P422 V426 Y427 G428	F416-C424 HydrophobicContact CD1-CB 4.41Å; F416-C424 WeakPolarHBondContact CD1-O 2.91Å; F416-C424 HydrophobicContact CE1-CB 4.15Å; F416-C424 WeakPolarHBondContact CE1-O 3.31Å; V420-C424 HydrophobicContact CB-CB 3.87Å; V420-C424 HydrophobicContact CG1-CB 3.89Å; G421-C424 WeakPolarHBondContact O-CA 3.34Å; G421-C424 WeakPolarHBondContact O-CB 3.35Å; G421-C424 PolarHBondContact O-N 2.88Å; P422-C424 VanDerWaalsContact C-N 3.26Å; P422-C424 PolarHBondContact O-N 3.47Å; C424-V426 PolarHBondContact O-N 3.37Å; C424-Y427 VanDerWaalsContact CA-CD2 3.42Å; C424-Y427 HydrophobicContact CB-CD2 3.51Å; C424-Y427 HydrophobicContact CB-CE2 3.78Å; C424-Y427 WeakPolarHBondContact O-CB 3.49Å; C424-Y427 WeakPolarHBondContact O-CD2 3.44Å; C424-Y427 PolarHBondContact O-N 3.46Å; C424-Y427 VanDerWaalsContact SG-CE2 3.55Å; C424-G428 PolarHBondContact O-N 3.09Å
425	V	88.6	Confident	87.9	Confident	46 Å²	46	34 Å²	34	28%	0.279	17%	0.17	S	C	.	.	H	α-helix	trans	-57	-35.1	179.7	176	0	0	0	0	112	Y427 G428 R429	V425-Y427 VanDerWaalsContact C-N 3.32Å; V425-Y427 PolarHBondContact O-N 2.83Å; V425-G428 PolarHBondContact O-N 3.15Å; V425-R429 PolarHBondContact O-N 3.47Å
426	V	87.6	Confident	88.1	Confident	51 Å²	51	29.9 Å²	29.9	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-63.9	-38.4	178.2	179.7	0	0	0	0	111.2	T280 C424 G428 R429 Q430	T280-V426 HydrophobicContact CG2-CB 4.37Å; T280-V426 HydrophobicContact CG2-CG2 4Å; C424-V426 PolarHBondContact O-N 3.37Å; V426-G428 VanDerWaalsContact C-N 3.35Å; V426-R429 WeakPolarHBondContact O-CB 3.38Å; V426-R429 PolarHBondContact O-N 3.01Å; V426-Q430 WeakPolarHBondContact O-CG 3.19Å; V426-Q430 PolarHBondContact O-N 2.93Å; V426-Q430 VanDerWaalsContact O-N 3.1Å
427	Y	85.9	Confident	88.3	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-39.6	175.1	-42.9	-52.7	0	0	0	111	I199 N276 V277 T280 S281 F416 C424 V425 R429 Q430 R431	I199-Y427 HydrophobicContact CD1-CD2 4.04Å; I199-Y427 HydrophobicContact CG2-CE2 4.22Å; N276-Y427 HydrophobicContact CB-CE1 4.27Å; V277-Y427 WeakPolarHBondContact CA-OH 3.37Å; V277-Y427 HydrophobicContact CB-CE1 4.35Å; V277-Y427 HydrophobicContact CG2-CD1 4.42Å; V277-Y427 HydrophobicContact CG2-CE1 3.47Å; V277-Y427 VanDerWaalsContact CG2-CE1 3.47Å; V277-Y427 WeakPolarHBondContact CG2-OH 3.42Å; T280-Y427 PolarHBondContact OG1-OH 3Å; S281-Y427 PolarHBondContact OG-OH 3.4Å; F416-Y427 HydrophobicContact CE1-CD2 4.44Å; C424-Y427 VanDerWaalsContact CA-CD2 3.42Å; C424-Y427 HydrophobicContact CB-CD2 3.51Å; C424-Y427 HydrophobicContact CB-CE2 3.78Å; C424-Y427 WeakPolarHBondContact O-CB 3.49Å; C424-Y427 WeakPolarHBondContact O-CD2 3.44Å; C424-Y427 PolarHBondContact O-N 3.46Å; C424-Y427 VanDerWaalsContact SG-CE2 3.55Å; V425-Y427 VanDerWaalsContact C-N 3.32Å; V425-Y427 PolarHBondContact O-N 2.83Å; Y427-R429 VanDerWaalsContact C-N 3.26Å; Y427-R429 PolarHBondContact O-N 3Å; Y427-Q430 WeakPolarHBondContact O-CB 3.31Å; Y427-Q430 PolarHBondContact O-N 3.43Å; Y427-R431 WeakPolarHBondContact O-CG 3.22Å; Y427-R431 PolarHBondContact O-N 3.11Å
428	G	90.3	Very high	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-52.4	-46	171.7	0	0	0	0	0	111.7	F412 C424 V425 V426 Q430 R431 F432	F412-G428 WeakPolarHBondContact CD1-O 3.13Å; F412-G428 WeakPolarHBondContact CE1-O 3.33Å; C424-G428 PolarHBondContact O-N 3.09Å; V425-G428 PolarHBondContact O-N 3.15Å; V426-G428 VanDerWaalsContact C-N 3.35Å; G428-Q430 VanDerWaalsContact C-N 3.35Å; G428-Q430 PolarHBondContact O-N 3.36Å; G428-R431 PolarHBondContact O-N 3.38Å; G428-F432 WeakPolarHBondContact O-CB 3.34Å; G428-F432 PolarHBondContact O-N 3.09Å
429	R	91.3	Very high	89	Confident	145 Å²	145	29.1 Å²	29.1	55%	0.547	15%	0.145	S	C	.	.	H	α-helix	trans	-61.4	-40.5	175.6	-67.4	179.4	-175.1	-98	0.8	112.6	S413 V425 V426 Y427 F432 A433	S413-R429 WeakPolarHBondContact OG-CA 3.48Å; S413-R429 WeakPolarHBondContact OG-CG 3.26Å; S413-R429 PolarHBondContact OG-N 3.44Å; V425-R429 PolarHBondContact O-N 3.47Å; V426-R429 WeakPolarHBondContact O-CB 3.38Å; V426-R429 PolarHBondContact O-N 3.01Å; Y427-R429 VanDerWaalsContact C-N 3.26Å; Y427-R429 PolarHBondContact O-N 3Å; R429-F432 PolarHBondContact O-N 3.5Å; R429-A433 PolarHBondContact O-N 3.22Å
430	Q	89.2	Confident	89.6	Confident	42 Å²	42	29.5 Å²	29.5	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-66.9	-43.2	178.4	-69.2	176.2	-12.6	0	0	112.5	N276 V426 Y427 G428 F432 A433 L434	N276-Q430 PolarHBondContact ND2-NE2 3.04Å; V426-Q430 WeakPolarHBondContact O-CG 3.19Å; V426-Q430 PolarHBondContact O-N 2.93Å; V426-Q430 VanDerWaalsContact O-N 3.1Å; Y427-Q430 WeakPolarHBondContact O-CB 3.31Å; Y427-Q430 PolarHBondContact O-N 3.43Å; G428-Q430 VanDerWaalsContact C-N 3.35Å; G428-Q430 PolarHBondContact O-N 3.36Å; Q430-F432 VanDerWaalsContact C-N 3.3Å; Q430-A433 PolarHBondContact O-N 3.23Å; Q430-L434 PolarHBondContact O-N 3.05Å
431	R	91.3	Very high	90.2	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-38.9	174.8	-58.4	-50.2	170.7	76.3	2.3	111.1	F412 F416 Y427 G428 L434 G435 V480 M481 Y484	F412-R431 HydrophobicContact CE1-CB 4.21Å; F412-R431 HydrophobicContact CZ-CB 4.38Å; F416-R431 HydrophobicContact CE2-CG 4.43Å; Y427-R431 WeakPolarHBondContact O-CG 3.22Å; Y427-R431 PolarHBondContact O-N 3.11Å; G428-R431 PolarHBondContact O-N 3.38Å; R431-L434 PolarHBondContact O-N 3.17Å; R431-G435 PolarHBondContact O-N 3.24Å; R431-V480 HydrophobicContact CB-CG1 4.15Å; R431-M481 HydrophobicContact CB-SD 4.2Å; R431-M481 HydrophobicContact CG-SD 4.42Å; R431-Y484 VanDerWaalsContact NE-CE1 3.3Å
432	F	95.3	Very high	91.1	Very high	17 Å²	17	32 Å²	32	8%	0.075	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-44.8	174.7	-169.1	-95.1	0	0	0	112.2	L405 L408 G409 F412 G428 R429 Q430 L434 G435 V436 L473 L477	L405-F432 WeakPolarHBondContact O-CE1 3.45Å; L405-F432 WeakPolarHBondContact O-CZ 3.28Å; L408-F432 HydrophobicContact CB-CE2 4.31Å; L408-F432 HydrophobicContact CB-CZ 4.24Å; G409-F432 VanDerWaalsContact CA-CE1 3.41Å; G409-F432 VanDerWaalsContact N-CZ 3.29Å; F412-F432 HydrophobicContact CB-CD2 3.78Å; F412-F432 HydrophobicContact CB-CE2 4.24Å; F412-F432 HydrophobicContact CD1-CB 3.83Å; F412-F432 AromaticContact CD1-CD2 3.98Å; F412-F432 HydrophobicContact CD1-CD2 3.98Å; F412-F432 HydrophobicContact CD1-CG 4.35Å; F412-F432 HydrophobicContact CD2-CD2 4.34Å; F412-F432 HydrophobicContact CE1-CB 4.16Å; F412-F432 HydrophobicContact CG-CB 4.49Å; F412-F432 AromaticContact CG-CD2 3.78Å; F412-F432 HydrophobicContact CG-CD2 3.78Å; G428-F432 WeakPolarHBondContact O-CB 3.34Å; G428-F432 PolarHBondContact O-N 3.09Å; R429-F432 PolarHBondContact O-N 3.5Å; Q430-F432 VanDerWaalsContact C-N 3.3Å; F432-L434 PolarHBondContact O-N 2.9Å; F432-G435 CarbonylContact O-C 3.49Å; F432-G435 WeakPolarHBondContact O-CA 3.42Å; F432-G435 PolarHBondContact O-N 2.96Å; F432-V436 HydrophobicContact CD1-CG2 3.77Å; F432-V436 HydrophobicContact CE1-CG2 3.44Å; F432-V436 VanDerWaalsContact CE1-CG2 3.44Å; F432-V436 HydrophobicContact CZ-CG2 4.08Å; F432-V436 WeakPolarHBondContact O-CG2 3.27Å; F432-V436 PolarHBondContact O-N 3.42Å; F432-L473 HydrophobicContact CE2-CD2 4.02Å; F432-L473 HydrophobicContact CZ-CD2 3.96Å; F432-L477 HydrophobicContact CB-CD2 4.49Å; F432-L477 HydrophobicContact CD2-CD1 3.88Å; F432-L477 HydrophobicContact CD2-CD2 3.86Å; F432-L477 HydrophobicContact CE2-CD1 3.86Å; F432-L477 HydrophobicContact CG-CD2 4.44Å
433	A	93.7	Very high	92.1	Very high	17 Å²	17	27.8 Å²	27.8	14%	0.14	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-42.4	177.3	0	0	0	0	0	112.6	R429 Q430 G435 V436 R437	R429-A433 PolarHBondContact O-N 3.22Å; Q430-A433 PolarHBondContact O-N 3.23Å; A433-G435 VanDerWaalsContact C-N 3.3Å; A433-G435 PolarHBondContact O-N 3.39Å; A433-V436 PolarHBondContact O-N 3.44Å; A433-R437 WeakPolarHBondContact O-CG 3.46Å; A433-R437 PolarHBondContact O-N 3.17Å; A433-R437 VanDerWaalsContact O-N 3.08Å
434	L	93.1	Very high	93	Very high	6 Å²	6	24.9 Å²	24.9	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-40.2	172.5	-65	177.2	0	0	0	111.8	R372 L375 Q430 R431 F432 R437 L438 V480 Y484	R372-L434 HydrophobicContact CG-CD2 4.15Å; L375-L434 HydrophobicContact CD1-CB 4.38Å; L375-L434 HydrophobicContact CD1-CD2 3.95Å; Q430-L434 PolarHBondContact O-N 3.05Å; R431-L434 PolarHBondContact O-N 3.17Å; F432-L434 PolarHBondContact O-N 2.9Å; L434-R437 PolarHBondContact O-N 2.49Å; L434-L438 PolarHBondContact O-N 3.29Å; L434-L438 VanDerWaalsContact O-N 3.09Å; L434-V480 HydrophobicContact CB-CG1 4.16Å; L434-V480 HydrophobicContact CB-CG2 3.96Å; L434-V480 HydrophobicContact CD1-CG1 4.4Å; L434-Y484 HydrophobicContact CD1-CE2 3.93Å; L434-Y484 WeakPolarHBondContact CD1-OH 3.45Å
435	G	95.9	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-42.1	174.9	0	0	0	0	0	112.7	R431 F432 A433 L438 Y439 S476	R431-G435 PolarHBondContact O-N 3.24Å; F432-G435 CarbonylContact O-C 3.49Å; F432-G435 WeakPolarHBondContact O-CA 3.42Å; F432-G435 PolarHBondContact O-N 2.96Å; A433-G435 VanDerWaalsContact C-N 3.3Å; A433-G435 PolarHBondContact O-N 3.39Å; G435-L438 PolarHBondContact O-N 2.9Å; G435-Y439 VanDerWaalsContact O-CB 3.22Å; G435-Y439 WeakPolarHBondContact O-CB 3.45Å; G435-Y439 PolarHBondContact O-N 3.41Å; G435-S476 VanDerWaalsContact O-CB 3.31Å; G435-S476 WeakPolarHBondContact O-CB 3.5Å
436	V	96.7	Very high	94	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-42.4	176.6	171.4	0	0	0	0	111.7	D380 L405 F432 A433 Y439 Y440 L473	D380-V436 HydrophobicContact CB-CG1 4.39Å; L405-V436 HydrophobicContact CD1-CG1 3.95Å; L405-V436 HydrophobicContact CD1-CG2 4.44Å; L405-V436 HydrophobicContact CD2-CG2 4.19Å; F432-V436 HydrophobicContact CD1-CG2 3.77Å; F432-V436 HydrophobicContact CE1-CG2 3.44Å; F432-V436 VanDerWaalsContact CE1-CG2 3.44Å; F432-V436 HydrophobicContact CZ-CG2 4.08Å; F432-V436 WeakPolarHBondContact O-CG2 3.27Å; F432-V436 PolarHBondContact O-N 3.42Å; A433-V436 PolarHBondContact O-N 3.44Å; V436-Y439 WeakPolarHBondContact O-CB 3.49Å; V436-Y439 PolarHBondContact O-N 2.99Å; V436-Y440 HydrophobicContact CG1-CD2 3.78Å; V436-Y440 HydrophobicContact CG1-CE2 3.53Å; V436-Y440 WeakPolarHBondContact O-CD2 3.16Å; V436-Y440 PolarHBondContact O-N 3.46Å; V436-L473 HydrophobicContact CG2-CD1 4.29Å
437	R	95.3	Very high	94.4	Very high	77 Å²	77	22.8 Å²	22.8	29%	0.291	11%	0.105	S	C	.	.	H	α-helix	trans	-61.3	-45.5	176.1	-68.1	176.4	-160.8	174.2	5.5	111.6	L375 D380 A433 L434 Y439 K441	L375-R437 HydrophobicContact CB-CB 4.43Å; L375-R437 HydrophobicContact CD1-CB 4.28Å; L375-R437 HydrophobicContact CD2-CB 4.06Å; L375-R437 HydrophobicContact CG-CB 4.49Å; D380-R437 IonicContact OD1-CZ 3.21Å; D380-R437 VanDerWaalsContact OD1-CZ 3.31Å; D380-R437 IonicContact OD1-NE 2.78Å; D380-R437 PolarHBondContact OD1-NE 3.12Å; D380-R437 IonicContact OD1-NH2 3.23Å; D380-R437 PolarHBondContact OD1-NH2 3.08Å; A433-R437 WeakPolarHBondContact O-CG 3.46Å; A433-R437 PolarHBondContact O-N 3.17Å; A433-R437 VanDerWaalsContact O-N 3.08Å; L434-R437 PolarHBondContact O-N 2.49Å; R437-Y439 VanDerWaalsContact C-N 3.35Å; R437-K441 WeakPolarHBondContact O-CB 3.29Å; R437-K441 PolarHBondContact O-N 3.36Å; R437-K441 VanDerWaalsContact O-N 3.09Å
438	L	95.7	Very high	94.9	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-41.4	177.2	-174.8	56.3	0	0	0	111.1	L375 L434 G435 Y440 K441 V442 V479 F524 E528	L375-L438 HydrophobicContact CD2-CB 3.79Å; L375-L438 HydrophobicContact CD2-CD1 4.07Å; L434-L438 PolarHBondContact O-N 3.29Å; L434-L438 VanDerWaalsContact O-N 3.09Å; G435-L438 PolarHBondContact O-N 2.9Å; L438-Y440 PolarHBondContact O-N 3.32Å; L438-K441 PolarHBondContact O-N 3.12Å; L438-V442 HydrophobicContact CD1-CG2 3.85Å; L438-V442 HydrophobicContact CG-CG2 4.24Å; L438-V442 WeakPolarHBondContact O-CB 3.49Å; L438-V442 VanDerWaalsContact O-CG2 3.28Å; L438-V442 WeakPolarHBondContact O-CG2 3.26Å; L438-V442 PolarHBondContact O-N 2.78Å; L438-V479 HydrophobicContact CD2-CB 3.87Å; L438-V479 HydrophobicContact CD2-CG1 3.71Å; L438-F524 HydrophobicContact CD2-CZ 3.98Å; L438-F524 HydrophobicContact CG-CZ 4.11Å; L438-E528 HydrophobicContact CD1-CG 4.49Å
439	Y	97.6	Very high	95	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-48.6	177.1	156.9	-96.1	0	0	0	112.3	V401 L405 G435 V436 R437 M443 H469 L472 L473 S476	V401-Y439 HydrophobicContact CG1-CE1 4.43Å; L405-Y439 HydrophobicContact CD1-CE1 4.19Å; L405-Y439 HydrophobicContact CD2-CD1 4.41Å; L405-Y439 HydrophobicContact CD2-CE1 4.09Å; G435-Y439 VanDerWaalsContact O-CB 3.22Å; G435-Y439 WeakPolarHBondContact O-CB 3.45Å; G435-Y439 PolarHBondContact O-N 3.41Å; V436-Y439 WeakPolarHBondContact O-CB 3.49Å; V436-Y439 PolarHBondContact O-N 2.99Å; R437-Y439 VanDerWaalsContact C-N 3.35Å; Y439-M443 HydrophobicContact CD1-CE 4.44Å; Y439-M443 HydrophobicContact CD2-CE 4.23Å; Y439-M443 HydrophobicContact CE1-CE 3.68Å; Y439-M443 HydrophobicContact CE2-CE 3.4Å; Y439-M443 VanDerWaalsContact CE2-CE 3.4Å; Y439-M443 VanDerWaalsContact O-CB 3.26Å; Y439-M443 WeakPolarHBondContact O-CB 3.45Å; Y439-M443 PolarHBondContact O-N 2.98Å; Y439-M443 WeakPolarHBondContact OH-CE 3.34Å; Y439-H469 AromaticContact CE2-ND1 3.99Å; Y439-H469 AromaticContact CZ-ND1 3.71Å; Y439-H469 PolarHBondContact OH-ND1 3.11Å; Y439-L472 HydrophobicContact CD2-CB 4.06Å; Y439-L472 HydrophobicContact CD2-CD2 3.94Å; Y439-L472 HydrophobicContact CD2-CG 3.74Å; Y439-L472 HydrophobicContact CE2-CB 4.18Å; Y439-L472 HydrophobicContact CE2-CD2 4.04Å; Y439-L472 HydrophobicContact CE2-CG 4.17Å; Y439-L473 HydrophobicContact CD2-CB 3.9Å; Y439-L473 HydrophobicContact CD2-CD1 4.41Å; Y439-L473 HydrophobicContact CE2-CB 4.23Å; Y439-L473 HydrophobicContact CG-CB 4.49Å; Y439-L473 HydrophobicContact CG-CD1 4.16Å; Y439-S476 WeakPolarHBondContact CA-OG 3.34Å; Y439-S476 PolarHBondContact N-OG 3.41Å
440	Y	96.8	Very high	95	Very high	18 Å²	18	24.4 Å²	24.4	7%	0.071	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-41.7	177.4	-74.8	-48.5	0	0	0	112.4	P382 L386 V401 L405 V436 L438 V442 M443 E444	P382-Y440 HydrophobicContact CB-CD1 4.2Å; P382-Y440 HydrophobicContact CB-CE1 4.07Å; L386-Y440 HydrophobicContact CD2-CD1 3.47Å; L386-Y440 VanDerWaalsContact CD2-CD1 3.47Å; L386-Y440 HydrophobicContact CD2-CE1 4.29Å; L386-Y440 HydrophobicContact CD2-CG 4.11Å; V401-Y440 HydrophobicContact CG1-CE1 4.27Å; L405-Y440 HydrophobicContact CD1-CE1 4.45Å; L405-Y440 HydrophobicContact CD1-CE2 4.04Å; L405-Y440 WeakPolarHBondContact CD1-OH 3.37Å; V436-Y440 HydrophobicContact CG1-CD2 3.78Å; V436-Y440 HydrophobicContact CG1-CE2 3.53Å; V436-Y440 WeakPolarHBondContact O-CD2 3.16Å; V436-Y440 PolarHBondContact O-N 3.46Å; L438-Y440 PolarHBondContact O-N 3.32Å; Y440-V442 PolarHBondContact O-N 3.45Å; Y440-M443 PolarHBondContact O-N 3.11Å; Y440-E444 WeakPolarHBondContact O-CB 3.46Å; Y440-E444 PolarHBondContact O-N 3Å
441	K	95.2	Very high	95.2	Very high	52 Å²	52	25 Å²	25	23%	0.226	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-49.8	176.9	-178.1	-175.4	174.3	-161.3	0	111.3	D374 P376 R437 L438 E444 A445 E528	D374-K441 PolarHBondContact O-NZ 3.42Å; P376-K441 HydrophobicContact CG-CB 4.37Å; R437-K441 WeakPolarHBondContact O-CB 3.29Å; R437-K441 PolarHBondContact O-N 3.36Å; R437-K441 VanDerWaalsContact O-N 3.09Å; L438-K441 PolarHBondContact O-N 3.12Å; K441-E444 PolarHBondContact O-N 3.25Å; K441-A445 PolarHBondContact O-N 2.89Å; K441-A445 VanDerWaalsContact O-N 3.15Å; K441-E528 WeakPolarHBondContact CD-OE2 3.4Å; K441-E528 WeakPolarHBondContact CE-OE2 2.94Å; K441-E528 IonicContact NZ-OE1 2.82Å; K441-E528 PolarHBondContact NZ-OE1 2.96Å; K441-E528 IonicContact NZ-OE2 3.98Å; K441-E528 PolarHBondContact NZ-OE2 3.02Å
442	V	96.8	Very high	95.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-69.5	-40.7	-178.9	178.2	0	0	0	0	111.2	L438 Y440 E444 A445 M446 L472 F524 A527 E528	L438-V442 HydrophobicContact CD1-CG2 3.85Å; L438-V442 HydrophobicContact CG-CG2 4.24Å; L438-V442 WeakPolarHBondContact O-CB 3.49Å; L438-V442 VanDerWaalsContact O-CG2 3.28Å; L438-V442 WeakPolarHBondContact O-CG2 3.26Å; L438-V442 PolarHBondContact O-N 2.78Å; Y440-V442 PolarHBondContact O-N 3.45Å; V442-E444 VanDerWaalsContact C-N 3.34Å; V442-E444 PolarHBondContact O-N 3.13Å; V442-A445 PolarHBondContact O-N 3.29Å; V442-M446 HydrophobicContact CG1-CG 4.23Å; V442-M446 HydrophobicContact CG1-SD 3.99Å; V442-M446 VanDerWaalsContact O-CG 3.31Å; V442-M446 WeakPolarHBondContact O-CG 3.33Å; V442-M446 PolarHBondContact O-N 3.01Å; V442-L472 HydrophobicContact CB-CD1 4.4Å; V442-L472 HydrophobicContact CG1-CD1 3.85Å; V442-F524 HydrophobicContact CB-CD2 4.45Å; V442-F524 HydrophobicContact CB-CE2 4.18Å; V442-F524 HydrophobicContact CG1-CD2 3.75Å; V442-F524 HydrophobicContact CG1-CE2 3.97Å; V442-F524 HydrophobicContact CG1-CG 4.28Å; V442-F524 HydrophobicContact CG2-CD2 4.42Å; V442-F524 HydrophobicContact CG2-CE2 3.87Å; V442-F524 HydrophobicContact CG2-CZ 3.93Å; V442-A527 HydrophobicContact CG1-CB 3.87Å; V442-E528 HydrophobicContact CG2-CB 4.08Å
443	M	97.3	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-48.2	175.7	-172.6	-172.9	-59.9	0	0	111.4	L386 F390 Y439 Y440 A445 M446 L447 L463 H469 L472	L386-M443 HydrophobicContact CD1-CG 4.16Å; L386-M443 HydrophobicContact CD1-SD 3.95Å; L386-M443 HydrophobicContact CD2-SD 4.23Å; F390-M443 HydrophobicContact CE1-SD 3.85Å; F390-M443 HydrophobicContact CZ-SD 3.96Å; Y439-M443 HydrophobicContact CD1-CE 4.44Å; Y439-M443 HydrophobicContact CD2-CE 4.23Å; Y439-M443 HydrophobicContact CE1-CE 3.68Å; Y439-M443 HydrophobicContact CE2-CE 3.4Å; Y439-M443 VanDerWaalsContact CE2-CE 3.4Å; Y439-M443 VanDerWaalsContact O-CB 3.26Å; Y439-M443 WeakPolarHBondContact O-CB 3.45Å; Y439-M443 PolarHBondContact O-N 2.98Å; Y439-M443 WeakPolarHBondContact OH-CE 3.34Å; Y440-M443 PolarHBondContact O-N 3.11Å; M443-A445 VanDerWaalsContact C-N 3.33Å; M443-A445 PolarHBondContact O-N 3.19Å; M443-M446 PolarHBondContact O-N 3.18Å; M443-L447 HydrophobicContact CG-CD1 4.11Å; M443-L447 HydrophobicContact CG-CG 4.37Å; M443-L447 VanDerWaalsContact O-CG 3.32Å; M443-L447 WeakPolarHBondContact O-CG 3.39Å; M443-L447 PolarHBondContact O-N 2.87Å; M443-L463 HydrophobicContact CG-CD2 4.49Å; M443-L463 HydrophobicContact SD-CD2 3.91Å; M443-H469 VanDerWaalsContact CE-CE1 3.45Å; M443-H469 WeakPolarHBondContact CE-CE1 3.28Å; M443-H469 WeakPolarHBondContact CE-ND1 3.19Å; M443-L472 HydrophobicContact CB-CD2 3.7Å; M443-L472 HydrophobicContact CE-CD2 4.1Å; M443-L472 HydrophobicContact CG-CD2 4.14Å
444	E	96.4	Very high	94.8	Very high	31 Å²	31	40.1 Å²	40.1	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-43	178.4	-174.4	-177.8	137.5	0	0	111.7	S383 T385 L386 Y440 K441 V442 M446 L447 K448	S383-E444 VanDerWaalsContact CB-OE2 3.26Å; S383-E444 WeakPolarHBondContact CB-OE2 3.43Å; S383-E444 PolarHBondContact OG-OE2 3Å; T385-E444 HydrophobicContact CG2-CG 4.44Å; L386-E444 HydrophobicContact CD1-CB 4.25Å; Y440-E444 WeakPolarHBondContact O-CB 3.46Å; Y440-E444 PolarHBondContact O-N 3Å; K441-E444 PolarHBondContact O-N 3.25Å; V442-E444 VanDerWaalsContact C-N 3.34Å; V442-E444 PolarHBondContact O-N 3.13Å; E444-M446 PolarHBondContact O-N 3.03Å; E444-L447 PolarHBondContact O-N 3.42Å; E444-K448 HydrophobicContact CG-CD 4.35Å; E444-K448 WeakPolarHBondContact O-CB 3.48Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 3.39Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.48Å; E444-K448 IonicContact OE1-NZ 3.9Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å
445	A	96.3	Very high	94.7	Very high	35 Å²	35	45 Å²	45	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-41.1	176.1	0	0	0	0	0	112.3	K441 V442 M443 S449 A527	K441-A445 PolarHBondContact O-N 2.89Å; K441-A445 VanDerWaalsContact O-N 3.15Å; V442-A445 PolarHBondContact O-N 3.29Å; M443-A445 VanDerWaalsContact C-N 3.33Å; M443-A445 PolarHBondContact O-N 3.19Å; A445-S449 PolarHBondContact O-N 2.94Å; A445-S449 VanDerWaalsContact O-N 3.08Å; A445-A527 HydrophobicContact CB-CB 4.13Å
446	M	96.1	Very high	94.4	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-46.9	175.1	-70.9	178.2	67.2	0	0	111.5	V442 M443 E444 K448 S449 E450 F468 L472 A527 A590	V442-M446 HydrophobicContact CG1-CG 4.23Å; V442-M446 HydrophobicContact CG1-SD 3.99Å; V442-M446 VanDerWaalsContact O-CG 3.31Å; V442-M446 WeakPolarHBondContact O-CG 3.33Å; V442-M446 PolarHBondContact O-N 3.01Å; M443-M446 PolarHBondContact O-N 3.18Å; E444-M446 PolarHBondContact O-N 3.03Å; M446-K448 PolarHBondContact O-N 3.15Å; M446-S449 WeakPolarHBondContact O-CB 3.14Å; M446-S449 PolarHBondContact O-N 3.23Å; M446-E450 WeakPolarHBondContact O-CG 3.31Å; M446-E450 PolarHBondContact O-N 2.97Å; M446-F468 HydrophobicContact CE-CE2 3.8Å; M446-F468 HydrophobicContact CE-CZ 4.2Å; M446-L472 HydrophobicContact SD-CD1 3.91Å; M446-L472 HydrophobicContact SD-CD2 4.44Å; M446-A527 HydrophobicContact CG-CB 3.59Å; M446-A590 HydrophobicContact CE-CB 3.7Å
447	L	96.1	Very high	93.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-39.4	179.4	-66.4	175.5	0	0	0	112.4	L386 Y389 M443 E444 S449 E450 E451 F459 L462 L463	L386-L447 HydrophobicContact CD1-CD1 3.56Å; Y389-L447 HydrophobicContact CD2-CB 4.06Å; Y389-L447 HydrophobicContact CD2-CD1 3.83Å; Y389-L447 HydrophobicContact CE2-CB 3.93Å; Y389-L447 HydrophobicContact CG-CB 4.42Å; Y389-L447 HydrophobicContact CG-CD1 3.96Å; M443-L447 HydrophobicContact CG-CD1 4.11Å; M443-L447 HydrophobicContact CG-CG 4.37Å; M443-L447 VanDerWaalsContact O-CG 3.32Å; M443-L447 WeakPolarHBondContact O-CG 3.39Å; M443-L447 PolarHBondContact O-N 2.87Å; E444-L447 PolarHBondContact O-N 3.42Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.33Å; L447-E450 PolarHBondContact O-N 2.84Å; L447-E451 WeakPolarHBondContact O-CB 3.29Å; L447-E451 PolarHBondContact O-N 3.28Å; L447-F459 HydrophobicContact CB-CE2 4.49Å; L447-F459 HydrophobicContact CD2-CB 4.11Å; L447-F459 HydrophobicContact CD2-CD2 3.69Å; L447-F459 HydrophobicContact CD2-CE2 4.28Å; L447-F459 HydrophobicContact CD2-CG 3.93Å; L447-L462 HydrophobicContact CD2-CD2 4.48Å; L447-L463 HydrophobicContact CD1-CD1 4.09Å; L447-L463 HydrophobicContact CD1-CD2 4.12Å; L447-L463 HydrophobicContact CD2-CD1 4.25Å; L447-L463 HydrophobicContact CD2-CD2 4.13Å; L447-L463 HydrophobicContact CD2-CG 4.32Å
448	K	95.8	Very high	93.6	Very high	96 Å²	96	52.4 Å²	52.4	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-41	173.1	-75.5	175.5	-178	171	0	112	Y389 E444 M446 K452	Y389-K448 HydrophobicContact CE2-CG 4.38Å; Y389-K448 WeakPolarHBondContact OH-CG 3.34Å; E444-K448 HydrophobicContact CG-CD 4.35Å; E444-K448 WeakPolarHBondContact O-CB 3.48Å; E444-K448 WeakPolarHBondContact O-CG 3.42Å; E444-K448 PolarHBondContact O-N 3.39Å; E444-K448 VanDerWaalsContact OE1-CE 3.23Å; E444-K448 WeakPolarHBondContact OE1-CE 3.48Å; E444-K448 IonicContact OE1-NZ 3.9Å; E444-K448 PolarHBondContact OE1-NZ 3.15Å; M446-K448 PolarHBondContact O-N 3.15Å; K448-K452 WeakPolarHBondContact O-CB 3.44Å; K448-K452 PolarHBondContact O-N 3.37Å; K448-K452 VanDerWaalsContact O-N 3.11Å
449	S	93.2	Very high	93.5	Very high	73 Å²	73	53 Å²	53	51%	0.51	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-39.4	175.5	-173.5	0	0	0	0	111.7	A445 M446 L447 R453	A445-S449 PolarHBondContact O-N 2.94Å; A445-S449 VanDerWaalsContact O-N 3.08Å; M446-S449 WeakPolarHBondContact O-CB 3.14Å; M446-S449 PolarHBondContact O-N 3.23Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.33Å; S449-R453 WeakPolarHBondContact O-CB 3.42Å; S449-R453 PolarHBondContact O-N 3.29Å
450	E	91.7	Very high	93.4	Very high	11 Å²	11	53.6 Å²	53.6	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-40.6	177	-74.1	-58.4	142.9	0	0	112.8	M446 L447 K452 R453 L454 F459 T589 A591	M446-E450 WeakPolarHBondContact O-CG 3.31Å; M446-E450 PolarHBondContact O-N 2.97Å; L447-E450 PolarHBondContact O-N 2.84Å; E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 3.4Å; E450-R453 PolarHBondContact O-N 2.92Å; E450-R453 VanDerWaalsContact O-N 3.13Å; E450-R453 IonicContact OE1-CZ 3.97Å; E450-R453 IonicContact OE1-NE 2.89Å; E450-R453 PolarHBondContact OE1-NE 3.21Å; E450-R453 IonicContact OE1-NH2 3.06Å; E450-R453 IonicContact OE2-CZ 3.19Å; E450-R453 IonicContact OE2-NE 3.94Å; E450-R453 PolarHBondContact OE2-NE 3.38Å; E450-R453 IonicContact OE2-NH2 3.81Å; E450-R453 PolarHBondContact OE2-NH2 2.9Å; E450-L454 WeakPolarHBondContact O-CB 3.5Å; E450-L454 PolarHBondContact O-N 3.19Å; E450-F459 HydrophobicContact CB-CE1 3.8Å; E450-F459 HydrophobicContact CB-CZ 3.93Å; E450-T589 WeakPolarHBondContact OE1-CB 3.49Å; E450-T589 WeakPolarHBondContact OE1-CG2 3.49Å; E450-T589 PolarHBondContact OE1-OG1 3.02Å; E450-A591 HydrophobicContact CG-CB 4.24Å
451	E	93.4	Very high	93.2	Very high	55 Å²	55	61.1 Å²	61.1	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-45.3	173.9	178.9	-178.7	-173.1	0	0	110.3	Y389 L447 R453 S455 V456 Q457 F459	Y389-E451 WeakPolarHBondContact CE1-OE2 3.46Å; Y389-E451 PolarHBondContact OH-OE2 3.04Å; L447-E451 WeakPolarHBondContact O-CB 3.29Å; L447-E451 PolarHBondContact O-N 3.28Å; E451-R453 VanDerWaalsContact C-N 3.3Å; E451-R453 PolarHBondContact O-N 2.74Å; E451-S455 WeakPolarHBondContact O-CA 3.3Å; E451-S455 PolarHBondContact O-N 2.92Å; E451-V456 WeakPolarHBondContact CA-O 3.38Å; E451-Q457 HydrophobicContact CG-CG 4.11Å; E451-Q457 VanDerWaalsContact OE1-CG 3.25Å; E451-Q457 WeakPolarHBondContact OE1-CG 3.27Å; E451-Q457 PolarHBondContact OE1-NE2 2.89Å; E451-F459 HydrophobicContact CB-CE2 4.32Å; E451-F459 HydrophobicContact CB-CZ 4Å
452	K	93	Very high	93.2	Very high	184 Å²	184	59 Å²	59	80%	0.8	30%	0.301	S	S	*	.	H	α-helix	trans	-63.2	-36.1	176.1	-173.8	177.4	179.7	179.6	0	112.7	K448 E450	K448-K452 WeakPolarHBondContact O-CB 3.44Å; K448-K452 PolarHBondContact O-N 3.37Å; K448-K452 VanDerWaalsContact O-N 3.11Å; E450-K452 VanDerWaalsContact C-N 3.3Å; E450-K452 PolarHBondContact O-N 3.4Å
453	R	90.5	Very high	93.2	Very high	96 Å²	96	58.9 Å²	58.9	36%	0.362	30%	0.301	S	S	.	.	H	α-helix	trans	-75.5	-44.8	-178	-175.4	-176.5	72.6	107.6	-8.9	112.3	S449 E450 E451 D592	S449-R453 WeakPolarHBondContact O-CB 3.42Å; S449-R453 PolarHBondContact O-N 3.29Å; E450-R453 PolarHBondContact O-N 2.92Å; E450-R453 VanDerWaalsContact O-N 3.13Å; E450-R453 IonicContact OE1-CZ 3.97Å; E450-R453 IonicContact OE1-NE 2.89Å; E450-R453 PolarHBondContact OE1-NE 3.21Å; E450-R453 IonicContact OE1-NH2 3.06Å; E450-R453 IonicContact OE2-CZ 3.19Å; E450-R453 IonicContact OE2-NE 3.94Å; E450-R453 PolarHBondContact OE2-NE 3.38Å; E450-R453 IonicContact OE2-NH2 3.81Å; E450-R453 PolarHBondContact OE2-NH2 2.9Å; E451-R453 VanDerWaalsContact C-N 3.3Å; E451-R453 PolarHBondContact O-N 2.74Å; R453-D592 IonicContact CZ-OD1 3.45Å; R453-D592 IonicContact CZ-OD2 3.84Å; R453-D592 IonicContact NH1-OD1 3.25Å; R453-D592 PolarHBondContact NH1-OD1 3.36Å; R453-D592 IonicContact NH1-OD2 3.46Å; R453-D592 PolarHBondContact NH1-OD2 2.96Å; R453-D592 IonicContact NH2-OD1 2.82Å; R453-D592 PolarHBondContact NH2-OD1 3.43Å; R453-D592 IonicContact NH2-OD2 3.79Å
454	L	88.4	Confident	93.2	Very high	78 Å²	78	61.3 Å²	61.3	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-100.2	-12.8	-170.8	-63.2	178.4	0	0	0	113.2	E450 V456 F459	E450-L454 WeakPolarHBondContact O-CB 3.5Å; E450-L454 PolarHBondContact O-N 3.19Å; L454-V456 HydrophobicContact CB-CG2 3.73Å; L454-V456 HydrophobicContact CD1-CG2 4.35Å; L454-V456 PolarHBondContact O-N 2.91Å; L454-F459 HydrophobicContact CD1-CE1 4.38Å
455	S	90.6	Very high	93.2	Very high	108 Å²	108	61.9 Å²	61.9	76%	0.755	32%	0.318	S	S	*	.	S	Bend	trans	54.9	31.1	-173.7	-55.2	0	0	0	0	113.5	E451	E451-S455 WeakPolarHBondContact O-CA 3.3Å; E451-S455 PolarHBondContact O-N 2.92Å
456	V	89.3	Confident	93.2	Very high	68 Å²	68	63.3 Å²	63.3	41%	0.412	33%	0.325	S	S	.	.			trans	-127	150.7	176.1	-59.7	0	0	0	0	110.4	E451 L454 F459	E451-V456 WeakPolarHBondContact CA-O 3.38Å; L454-V456 HydrophobicContact CB-CG2 3.73Å; L454-V456 HydrophobicContact CD1-CG2 4.35Å; L454-V456 PolarHBondContact O-N 2.91Å; V456-F459 HydrophobicContact CG2-CE1 3.94Å; V456-F459 HydrophobicContact CG2-CZ 4.45Å; V456-F459 WeakPolarHBondContact O-CZ 2.92Å
457	Q	84.6	Confident	93.3	Very high	100 Å²	100	64.5 Å²	64.5	47%	0.467	33%	0.333	S	S	.	.			trans	-109.4	-9.1	178.1	-68.4	-177.2	-2.6	0	0	113.6	N392 E451	N392-Q457 PolarHBondContact ND2-OE1 3.09Å; E451-Q457 HydrophobicContact CG-CG 4.11Å; E451-Q457 VanDerWaalsContact OE1-CG 3.25Å; E451-Q457 WeakPolarHBondContact OE1-CG 3.27Å; E451-Q457 PolarHBondContact OE1-NE2 2.89Å
458	N	90.4	Very high	93.4	Very high	73 Å²	73	64.5 Å²	64.5	39%	0.39	33%	0.333	S	S	.	.			trans	-92.5	106.6	177.7	-175.1	-35.5	0	0	0	110.1	N392 T394 S460	N392-N458 PolarHBondContact O-ND2 2.68Å; T394-N458 PolarHBondContact N-ND2 2.76Å; T394-N458 PolarHBondContact OG1-ND2 2.87Å; N458-S460 WeakPolarHBondContact OD1-CB 3.31Å; N458-S460 PolarHBondContact OD1-N 3.02Å
459	F	94.8	Very high	93.5	Very high	16 Å²	16	59.9 Å²	59.9	7%	0.07	31%	0.314	C	S	.	.			trans	-110	28.4	177.3	-56.3	-66.5	0	0	0	112.3	Y389 L447 E450 E451 L454 V456 K461 L462 L463	Y389-F459 HydrophobicContact CD1-CD2 4.14Å; Y389-F459 AromaticContact CD1-CE2 3.99Å; Y389-F459 HydrophobicContact CD1-CE2 3.99Å; Y389-F459 AromaticContact CE1-CE2 3.93Å; Y389-F459 HydrophobicContact CE1-CE2 3.93Å; L447-F459 HydrophobicContact CB-CE2 4.49Å; L447-F459 HydrophobicContact CD2-CB 4.11Å; L447-F459 HydrophobicContact CD2-CD2 3.69Å; L447-F459 HydrophobicContact CD2-CE2 4.28Å; L447-F459 HydrophobicContact CD2-CG 3.93Å; E450-F459 HydrophobicContact CB-CE1 3.8Å; E450-F459 HydrophobicContact CB-CZ 3.93Å; E451-F459 HydrophobicContact CB-CE2 4.32Å; E451-F459 HydrophobicContact CB-CZ 4Å; L454-F459 HydrophobicContact CD1-CE1 4.38Å; V456-F459 HydrophobicContact CG2-CE1 3.94Å; V456-F459 HydrophobicContact CG2-CZ 4.45Å; V456-F459 WeakPolarHBondContact O-CZ 2.92Å; F459-K461 VanDerWaalsContact C-N 3.29Å; F459-K461 PolarHBondContact O-N 3.35Å; F459-K461 VanDerWaalsContact O-N 3.15Å; F459-L462 PolarHBondContact O-N 3.2Å; F459-L463 HydrophobicContact CB-CD1 3.97Å; F459-L463 HydrophobicContact CB-CG 4.14Å; F459-L463 PolarHBondContact O-N 3.1Å
460	S	94.7	Very high	93.7	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-55.4	-39.5	-169.1	-176.2	0	0	0	0	113.4	V395 N458 L462 N464	V395-S460 PolarHBondContact N-OG 2.76Å; V395-S460 VanDerWaalsContact N-OG 3.09Å; N458-S460 WeakPolarHBondContact OD1-CB 3.31Å; N458-S460 PolarHBondContact OD1-N 3.02Å; S460-L462 PolarHBondContact O-N 2.75Å; S460-N464 VanDerWaalsContact O-CB 3.31Å; S460-N464 WeakPolarHBondContact O-CB 3.41Å; S460-N464 PolarHBondContact O-N 2.95Å; S460-N464 PolarHBondContact O-ND2 3.49Å; S460-N464 PolarHBondContact OG-ND2 2.96Å
461	K	93.5	Very high	94.1	Very high	176 Å²	176	56.9 Å²	56.9	77%	0.765	29%	0.293	S	S	*	.	H	α-helix	trans	-62.7	-40.8	176.9	-67.5	-175.8	179.2	178.7	0	112.9	F459 D465 L595	F459-K461 VanDerWaalsContact C-N 3.29Å; F459-K461 PolarHBondContact O-N 3.35Å; F459-K461 VanDerWaalsContact O-N 3.15Å; K461-D465 PolarHBondContact O-N 3.04Å; K461-L595 HydrophobicContact CB-CD2 3.57Å
462	L	95.1	Very high	94.3	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-74	-45.4	-179.2	179.9	65.8	0	0	0	110.9	L447 F459 S460 N464 D465 F468 A591 L595	L447-L462 HydrophobicContact CD2-CD2 4.48Å; F459-L462 PolarHBondContact O-N 3.2Å; S460-L462 PolarHBondContact O-N 2.75Å; L462-N464 VanDerWaalsContact C-N 3.26Å; L462-N464 PolarHBondContact O-N 3.15Å; L462-D465 WeakPolarHBondContact O-CB 3.37Å; L462-D465 PolarHBondContact O-N 3.48Å; L462-D465 VanDerWaalsContact O-N 3.09Å; L462-F468 HydrophobicContact CD1-CB 4.17Å; L462-F468 HydrophobicContact CD1-CD1 3.89Å; L462-F468 HydrophobicContact CD1-CD2 3.83Å; L462-F468 HydrophobicContact CD1-CE1 4.25Å; L462-F468 HydrophobicContact CD1-CE2 4.18Å; L462-F468 HydrophobicContact CD1-CG 3.67Å; L462-F468 HydrophobicContact CD1-CZ 4.38Å; L462-F468 HydrophobicContact CD2-CE1 4.34Å; L462-F468 HydrophobicContact CD2-CZ 4.28Å; L462-F468 HydrophobicContact CG-CD1 3.94Å; L462-F468 HydrophobicContact CG-CE1 3.97Å; L462-F468 HydrophobicContact CG-CG 4.25Å; L462-F468 HydrophobicContact CG-CZ 4.3Å; L462-A591 HydrophobicContact CD1-CB 4.29Å; L462-A591 HydrophobicContact CD2-CB 3.72Å; L462-L595 HydrophobicContact CB-CD1 4.43Å; L462-L595 HydrophobicContact CB-CD2 4.28Å
463	L	96.9	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-77.7	-8.6	-176.4	-66.5	174.9	0	0	0	114	F390 C393 P397 M443 L447 F459 F468 H469	F390-L463 HydrophobicContact CD1-CD1 4.08Å; F390-L463 HydrophobicContact CE1-CD1 4.35Å; F390-L463 HydrophobicContact CE1-CD2 4.24Å; C393-L463 VanDerWaalsContact SG-CD1 3.6Å; P397-L463 HydrophobicContact CB-CB 4.38Å; P397-L463 WeakPolarHBondContact CB-O 3.39Å; P397-L463 HydrophobicContact CG-CB 3.98Å; M443-L463 HydrophobicContact CG-CD2 4.49Å; M443-L463 HydrophobicContact SD-CD2 3.91Å; L447-L463 HydrophobicContact CD1-CD1 4.09Å; L447-L463 HydrophobicContact CD1-CD2 4.12Å; L447-L463 HydrophobicContact CD2-CD1 4.25Å; L447-L463 HydrophobicContact CD2-CD2 4.13Å; L447-L463 HydrophobicContact CD2-CG 4.32Å; F459-L463 HydrophobicContact CB-CD1 3.97Å; F459-L463 HydrophobicContact CB-CG 4.14Å; F459-L463 PolarHBondContact O-N 3.1Å; L463-F468 HydrophobicContact CD2-CE1 4.39Å; L463-H469 PolarHBondContact O-NE2 3.33Å
464	N	96.9	Very high	94.9	Very high	50 Å²	50	41 Å²	41	27%	0.267	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	0.1	167.2	-71.6	-85.3	0	0	0	112.2	V395 S460 L462 S466	V395-N464 PolarHBondContact O-ND2 2.91Å; S460-N464 VanDerWaalsContact O-CB 3.31Å; S460-N464 WeakPolarHBondContact O-CB 3.41Å; S460-N464 PolarHBondContact O-N 2.95Å; S460-N464 PolarHBondContact O-ND2 3.49Å; S460-N464 PolarHBondContact OG-ND2 2.96Å; L462-N464 VanDerWaalsContact C-N 3.26Å; L462-N464 PolarHBondContact O-N 3.15Å; N464-S466 PolarHBondContact O-N 3.48Å
465	D	96.7	Very high	95.4	Very high	44 Å²	44	37.2 Å²	37.2	24%	0.235	21%	0.206	C	C	.	.			trans	-79.9	110.8	177.1	-173.7	-94.2	0	0	0	111.1	K461 L462 T467 F468 H469	K461-D465 PolarHBondContact O-N 3.04Å; L462-D465 WeakPolarHBondContact O-CB 3.37Å; L462-D465 PolarHBondContact O-N 3.48Å; L462-D465 VanDerWaalsContact O-N 3.09Å; D465-T467 VanDerWaalsContact C-N 3.26Å; D465-T467 PolarHBondContact O-N 3.06Å; D465-T467 WeakPolarHBondContact OD1-CB 3.07Å; D465-T467 PolarHBondContact OD1-N 3.29Å; D465-T467 VanDerWaalsContact OD1-N 3.17Å; D465-F468 HydrophobicContact CB-CB 4.07Å; D465-F468 PolarHBondContact O-N 3.02Å; D465-F468 WeakPolarHBondContact OD1-CB 3.47Å; D465-F468 PolarHBondContact OD1-N 3.37Å; D465-H469 PolarHBondContact O-CD2 2.94Å; D465-H469 PolarHBondContact O-N 2.93Å
466	S	96.7	Very high	95.8	Very high	64 Å²	64	32.1 Å²	32.1	45%	0.448	17%	0.17	S	C	.	.	H	α-helix	trans	-64.5	-30.5	-176.7	69.9	0	0	0	0	113.6	N464 T470	N464-S466 PolarHBondContact O-N 3.48Å; S466-T470 WeakPolarHBondContact O-CB 3.5Å; S466-T470 PolarHBondContact O-N 2.87Å; S466-T470 PolarHBondContact O-OG1 2.87Å
467	T	96.6	Very high	96.2	Very high	42 Å²	42	28.9 Å²	28.9	26%	0.258	15%	0.15	S	C	.	.	H	α-helix	trans	-72	-43.5	-178.5	-51	0	0	0	0	110.5	D465 H469 T470 S471 L512 D516 Y594	D465-T467 VanDerWaalsContact C-N 3.26Å; D465-T467 PolarHBondContact O-N 3.06Å; D465-T467 WeakPolarHBondContact OD1-CB 3.07Å; D465-T467 PolarHBondContact OD1-N 3.29Å; D465-T467 VanDerWaalsContact OD1-N 3.17Å; T467-H469 PolarHBondContact O-N 3.16Å; T467-T470 PolarHBondContact O-N 3.17Å; T467-S471 WeakPolarHBondContact O-CB 3.37Å; T467-S471 PolarHBondContact O-N 3.35Å; T467-S471 PolarHBondContact O-OG 2.9Å; T467-S471 VanDerWaalsContact O-OG 3.11Å; T467-L512 HydrophobicContact CG2-CD1 4.34Å; T467-D516 HydrophobicContact CG2-CB 3.55Å; T467-Y594 HydrophobicContact CG2-CD1 4.45Å; T467-Y594 HydrophobicContact CG2-CE1 3.95Å
468	F	97.9	Very high	96.7	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-55.1	-50.7	174	168.4	-111.2	0	0	0	111.3	M446 L462 L463 D465 T470 S471 L472 Y594	M446-F468 HydrophobicContact CE-CE2 3.8Å; M446-F468 HydrophobicContact CE-CZ 4.2Å; L462-F468 HydrophobicContact CD1-CB 4.17Å; L462-F468 HydrophobicContact CD1-CD1 3.89Å; L462-F468 HydrophobicContact CD1-CD2 3.83Å; L462-F468 HydrophobicContact CD1-CE1 4.25Å; L462-F468 HydrophobicContact CD1-CE2 4.18Å; L462-F468 HydrophobicContact CD1-CG 3.67Å; L462-F468 HydrophobicContact CD1-CZ 4.38Å; L462-F468 HydrophobicContact CD2-CE1 4.34Å; L462-F468 HydrophobicContact CD2-CZ 4.28Å; L462-F468 HydrophobicContact CG-CD1 3.94Å; L462-F468 HydrophobicContact CG-CE1 3.97Å; L462-F468 HydrophobicContact CG-CG 4.25Å; L462-F468 HydrophobicContact CG-CZ 4.3Å; L463-F468 HydrophobicContact CD2-CE1 4.39Å; D465-F468 HydrophobicContact CB-CB 4.07Å; D465-F468 PolarHBondContact O-N 3.02Å; D465-F468 WeakPolarHBondContact OD1-CB 3.47Å; D465-F468 PolarHBondContact OD1-N 3.37Å; F468-T470 PolarHBondContact O-N 2.79Å; F468-S471 PolarHBondContact O-N 3.47Å; F468-L472 HydrophobicContact CE1-CD2 4.46Å; F468-L472 HydrophobicContact CZ-CD2 3.99Å; F468-L472 VanDerWaalsContact O-CB 3.31Å; F468-L472 WeakPolarHBondContact O-CB 3.46Å; F468-L472 PolarHBondContact O-N 3.05Å; F468-Y594 HydrophobicContact CB-CD1 4.09Å; F468-Y594 HydrophobicContact CB-CD2 4.13Å; F468-Y594 HydrophobicContact CB-CE1 4.42Å; F468-Y594 HydrophobicContact CB-CE2 4.49Å; F468-Y594 HydrophobicContact CB-CG 3.95Å; F468-Y594 AromaticContact CD2-CD2 3.65Å; F468-Y594 HydrophobicContact CD2-CD2 3.65Å; F468-Y594 AromaticContact CD2-CE2 3.83Å; F468-Y594 HydrophobicContact CD2-CE2 3.83Å; F468-Y594 HydrophobicContact CD2-CG 4.31Å; F468-Y594 HydrophobicContact CG-CD2 4.35Å
469	H	98.3	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-42.8	179.3	-77.9	-75.6	0	0	0	112.7	R404 Y439 M443 L463 D465 T467 L472 L473	R404-H469 PolarHBondContact NH1-CD2 3.03Å; Y439-H469 AromaticContact CE2-ND1 3.99Å; Y439-H469 AromaticContact CZ-ND1 3.71Å; Y439-H469 PolarHBondContact OH-ND1 3.11Å; M443-H469 VanDerWaalsContact CE-CE1 3.45Å; M443-H469 WeakPolarHBondContact CE-CE1 3.28Å; M443-H469 WeakPolarHBondContact CE-ND1 3.19Å; L463-H469 PolarHBondContact O-NE2 3.33Å; D465-H469 PolarHBondContact O-CD2 2.94Å; D465-H469 PolarHBondContact O-N 2.93Å; T467-H469 PolarHBondContact O-N 3.16Å; H469-L472 PolarHBondContact O-N 3.14Å; H469-L473 VanDerWaalsContact O-CB 3.32Å; H469-L473 WeakPolarHBondContact O-CB 3.47Å; H469-L473 PolarHBondContact O-N 2.95Å
470	T	98.4	Very high	96.9	Very high	20 Å²	20	20 Å²	20	12%	0.123	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-42.5	179.7	-53.9	0	0	0	0	110.9	L408 S466 T467 F468 L473 A474 L510 L512	L408-T470 HydrophobicContact CD1-CG2 4.29Å; S466-T470 WeakPolarHBondContact O-CB 3.5Å; S466-T470 PolarHBondContact O-N 2.87Å; S466-T470 PolarHBondContact O-OG1 2.87Å; T467-T470 PolarHBondContact O-N 3.17Å; F468-T470 PolarHBondContact O-N 2.79Å; T470-L473 PolarHBondContact O-N 3.16Å; T470-A474 VanDerWaalsContact O-CB 3.22Å; T470-A474 WeakPolarHBondContact O-CB 3.16Å; T470-A474 PolarHBondContact O-N 3.03Å; T470-L510 HydrophobicContact CG2-CB 4.11Å; T470-L512 HydrophobicContact CG2-CB 4.32Å; T470-L512 HydrophobicContact CG2-CD1 4.22Å
471	S	98.6	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-43.6	174.5	-68.1	0	0	0	0	113.1	T467 F468 A474 C475 D516 Y594	T467-S471 WeakPolarHBondContact O-CB 3.37Å; T467-S471 PolarHBondContact O-N 3.35Å; T467-S471 PolarHBondContact O-OG 2.9Å; T467-S471 VanDerWaalsContact O-OG 3.11Å; F468-S471 PolarHBondContact O-N 3.47Å; S471-A474 PolarHBondContact O-N 3.23Å; S471-C475 WeakPolarHBondContact O-CB 3.29Å; S471-C475 PolarHBondContact O-N 3.27Å; S471-D516 PolarHBondContact OG-O 3.41Å; S471-Y594 WeakPolarHBondContact CB-OH 3.4Å; S471-Y594 PolarHBondContact OG-OH 2.99Å
472	L	98.6	Very high	96.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-44.5	178.7	-176.1	59.5	0	0	0	110.9	Y439 V442 M443 M446 F468 H469 C475 S476 V520 F524	Y439-L472 HydrophobicContact CD2-CB 4.06Å; Y439-L472 HydrophobicContact CD2-CD2 3.94Å; Y439-L472 HydrophobicContact CD2-CG 3.74Å; Y439-L472 HydrophobicContact CE2-CB 4.18Å; Y439-L472 HydrophobicContact CE2-CD2 4.04Å; Y439-L472 HydrophobicContact CE2-CG 4.17Å; V442-L472 HydrophobicContact CB-CD1 4.4Å; V442-L472 HydrophobicContact CG1-CD1 3.85Å; M443-L472 HydrophobicContact CB-CD2 3.7Å; M443-L472 HydrophobicContact CE-CD2 4.1Å; M443-L472 HydrophobicContact CG-CD2 4.14Å; M446-L472 HydrophobicContact SD-CD1 3.91Å; M446-L472 HydrophobicContact SD-CD2 4.44Å; F468-L472 HydrophobicContact CE1-CD2 4.46Å; F468-L472 HydrophobicContact CZ-CD2 3.99Å; F468-L472 VanDerWaalsContact O-CB 3.31Å; F468-L472 WeakPolarHBondContact O-CB 3.46Å; F468-L472 PolarHBondContact O-N 3.05Å; H469-L472 PolarHBondContact O-N 3.14Å; L472-C475 PolarHBondContact O-N 2.64Å; L472-S476 PolarHBondContact O-N 3.29Å; L472-S476 PolarHBondContact O-OG 3.4Å; L472-V520 HydrophobicContact CB-CG2 4.37Å; L472-V520 HydrophobicContact CD1-CG2 3.95Å; L472-F524 HydrophobicContact CD1-CD2 3.76Å; L472-F524 HydrophobicContact CD1-CE2 4.2Å
473	L	98.5	Very high	96.2	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175.4	-180	66.2	0	0	0	111.6	L405 L408 F432 V436 Y439 H469 T470 C475 S476 L477	L405-L473 HydrophobicContact CD2-CD1 4.05Å; L405-L473 HydrophobicContact CD2-CD2 3.76Å; L405-L473 HydrophobicContact CD2-CG 4.46Å; L408-L473 HydrophobicContact CB-CD2 4.25Å; L408-L473 HydrophobicContact CD1-CD2 3.7Å; F432-L473 HydrophobicContact CE2-CD2 4.02Å; F432-L473 HydrophobicContact CZ-CD2 3.96Å; V436-L473 HydrophobicContact CG2-CD1 4.29Å; Y439-L473 HydrophobicContact CD2-CB 3.9Å; Y439-L473 HydrophobicContact CD2-CD1 4.41Å; Y439-L473 HydrophobicContact CE2-CB 4.23Å; Y439-L473 HydrophobicContact CG-CB 4.49Å; Y439-L473 HydrophobicContact CG-CD1 4.16Å; H469-L473 VanDerWaalsContact O-CB 3.32Å; H469-L473 WeakPolarHBondContact O-CB 3.47Å; H469-L473 PolarHBondContact O-N 2.95Å; T470-L473 PolarHBondContact O-N 3.16Å; L473-C475 VanDerWaalsContact C-N 3.28Å; L473-C475 PolarHBondContact O-N 3.34Å; L473-S476 WeakPolarHBondContact O-CB 3.35Å; L473-S476 PolarHBondContact O-N 2.92Å; L473-L477 HydrophobicContact CD1-CD1 4.21Å; L473-L477 HydrophobicContact CD1-CG 4.34Å; L473-L477 HydrophobicContact CD2-CD1 4.44Å; L473-L477 HydrophobicContact CG-CD1 3.87Å; L473-L477 HydrophobicContact CG-CG 4.41Å; L473-L477 WeakPolarHBondContact O-CB 3.11Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 3.29Å
474	A	98.5	Very high	95.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.5	-43.5	176	0	0	0	0	0	111.2	T470 S471 L477 E478 I506 L510 L512 F517	T470-A474 VanDerWaalsContact O-CB 3.22Å; T470-A474 WeakPolarHBondContact O-CB 3.16Å; T470-A474 PolarHBondContact O-N 3.03Å; S471-A474 PolarHBondContact O-N 3.23Å; A474-L477 PolarHBondContact O-N 3.4Å; A474-E478 WeakPolarHBondContact O-CB 3.46Å; A474-E478 PolarHBondContact O-N 3.05Å; A474-I506 HydrophobicContact CB-CG1 4.29Å; A474-L510 HydrophobicContact CB-CD1 3.54Å; A474-L512 HydrophobicContact CB-CD2 3.67Å; A474-F517 HydrophobicContact CB-CD2 3.73Å; A474-F517 HydrophobicContact CB-CE2 3.77Å
475	C	98.4	Very high	94.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.2	-40.6	179.4	-162.5	0	0	0	0	111.2	S471 L472 L473 E478 V479 F517 V520 F524	S471-C475 WeakPolarHBondContact O-CB 3.29Å; S471-C475 PolarHBondContact O-N 3.27Å; L472-C475 PolarHBondContact O-N 2.64Å; L473-C475 VanDerWaalsContact C-N 3.28Å; L473-C475 PolarHBondContact O-N 3.34Å; C475-E478 PolarHBondContact O-N 3.04Å; C475-V479 WeakPolarHBondContact O-CG2 3.22Å; C475-V479 PolarHBondContact O-N 3.03Å; C475-V479 VanDerWaalsContact O-N 3.08Å; C475-F517 HydrophobicContact CB-CE2 3.94Å; C475-F517 HydrophobicContact CB-CZ 4.22Å; C475-V520 HydrophobicContact CB-CG1 3.81Å; C475-F524 HydrophobicContact CB-CD2 3.78Å; C475-F524 HydrophobicContact CB-CE2 4.01Å; C475-F524 HydrophobicContact CB-CG 4.31Å; C475-F524 VanDerWaalsContact SG-CD2 3.59Å; C475-F524 WeakPolarHBondContact SG-CG 3.29Å
476	S	98	Very high	92.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.3	-43.2	172.4	-64.3	0	0	0	0	112.7	G435 Y439 L472 L473 V479 V480 F524	G435-S476 VanDerWaalsContact O-CB 3.31Å; G435-S476 WeakPolarHBondContact O-CB 3.5Å; Y439-S476 WeakPolarHBondContact CA-OG 3.34Å; Y439-S476 PolarHBondContact N-OG 3.41Å; L472-S476 PolarHBondContact O-N 3.29Å; L472-S476 PolarHBondContact O-OG 3.4Å; L473-S476 WeakPolarHBondContact O-CB 3.35Å; L473-S476 PolarHBondContact O-N 2.92Å; S476-V479 PolarHBondContact O-N 3.49Å; S476-V480 WeakPolarHBondContact O-CG2 3.47Å; S476-V480 PolarHBondContact O-N 2.95Å; S476-V480 VanDerWaalsContact O-N 3.15Å; S476-F524 WeakPolarHBondContact OG-CE2 3.41Å
477	L	97.3	Very high	90.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.2	-40.1	177	-71	167.2	0	0	0	111.4	F412 F432 L473 A474 V479 V480 M481 I506 L510	F412-L477 HydrophobicContact CD2-CD1 4.06Å; F412-L477 HydrophobicContact CE2-CB 4.48Å; F412-L477 HydrophobicContact CE2-CD1 4.22Å; F412-L477 HydrophobicContact CE2-CD2 4.11Å; F412-L477 HydrophobicContact CZ-CD2 4.27Å; F432-L477 HydrophobicContact CB-CD2 4.49Å; F432-L477 HydrophobicContact CD2-CD1 3.88Å; F432-L477 HydrophobicContact CD2-CD2 3.86Å; F432-L477 HydrophobicContact CE2-CD1 3.86Å; F432-L477 HydrophobicContact CG-CD2 4.44Å; L473-L477 HydrophobicContact CD1-CD1 4.21Å; L473-L477 HydrophobicContact CD1-CG 4.34Å; L473-L477 HydrophobicContact CD2-CD1 4.44Å; L473-L477 HydrophobicContact CG-CD1 3.87Å; L473-L477 HydrophobicContact CG-CG 4.41Å; L473-L477 WeakPolarHBondContact O-CB 3.11Å; L473-L477 WeakPolarHBondContact O-CG 3.47Å; L473-L477 PolarHBondContact O-N 3.29Å; A474-L477 PolarHBondContact O-N 3.4Å; L477-V479 VanDerWaalsContact C-N 3.31Å; L477-V479 PolarHBondContact O-N 2.68Å; L477-V480 WeakPolarHBondContact O-CB 3.45Å; L477-V480 PolarHBondContact O-N 3.38Å; L477-V480 VanDerWaalsContact O-N 3.13Å; L477-M481 WeakPolarHBondContact O-CB 3.23Å; L477-M481 VanDerWaalsContact O-CG 3.26Å; L477-M481 WeakPolarHBondContact O-CG 3.17Å; L477-M481 PolarHBondContact O-N 3.19Å; L477-I506 HydrophobicContact CB-CD1 3.8Å; L477-I506 HydrophobicContact CB-CG1 4.16Å; L477-I506 HydrophobicContact CD1-CD1 3.92Å; L477-I506 HydrophobicContact CG-CD1 4.49Å; L477-L510 HydrophobicContact CD1-CD1 4.14Å
478	E	96.5	Very high	87.8	Confident	2 Å²	2	10.1 Å²	10.1	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-42.8	175.7	-174.2	58.8	-141.1	0	0	111.4	A474 C475 V480 M481 A482 I506 F517 H538 L539	A474-E478 WeakPolarHBondContact O-CB 3.46Å; A474-E478 PolarHBondContact O-N 3.05Å; C475-E478 PolarHBondContact O-N 3.04Å; E478-V480 PolarHBondContact O-N 3.11Å; E478-M481 PolarHBondContact O-N 2.72Å; E478-A482 WeakPolarHBondContact O-CB 3.46Å; E478-A482 PolarHBondContact O-N 3.35Å; E478-I506 HydrophobicContact CB-CG2 4.49Å; E478-I506 VanDerWaalsContact OE2-CG2 3.23Å; E478-I506 WeakPolarHBondContact OE2-CG2 3.31Å; E478-F517 HydrophobicContact CB-CZ 4.5Å; E478-H538 IonicContact OE1-CD2 2.75Å; E478-H538 IonicContact OE1-CE1 3.6Å; E478-H538 PolarHBondContact OE1-CE1 2.79Å; E478-H538 IonicContact OE1-NE2 2.62Å; E478-H538 PolarHBondContact OE1-NE2 3.09Å; E478-L539 HydrophobicContact CG-CD2 4.36Å
479	V	94.9	Very high	85.1	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.2	168.3	0	0	0	0	111.6	L371 L438 C475 S476 L477 T483 F524 L531 I535 L539	L371-V479 HydrophobicContact CD1-CG1 4.38Å; L438-V479 HydrophobicContact CD2-CB 3.87Å; L438-V479 HydrophobicContact CD2-CG1 3.71Å; C475-V479 WeakPolarHBondContact O-CG2 3.22Å; C475-V479 PolarHBondContact O-N 3.03Å; C475-V479 VanDerWaalsContact O-N 3.08Å; S476-V479 PolarHBondContact O-N 3.49Å; L477-V479 VanDerWaalsContact C-N 3.31Å; L477-V479 PolarHBondContact O-N 2.68Å; V479-T483 WeakPolarHBondContact O-CB 3.49Å; V479-T483 PolarHBondContact O-N 2.71Å; V479-T483 PolarHBondContact O-OG1 3.12Å; V479-F524 HydrophobicContact CG2-CE1 3.78Å; V479-F524 HydrophobicContact CG2-CZ 4.07Å; V479-L531 HydrophobicContact CG1-CD2 4.06Å; V479-L531 HydrophobicContact CG2-CD2 4.47Å; V479-I535 HydrophobicContact CB-CG2 4.37Å; V479-I535 HydrophobicContact CG1-CG2 3.98Å; V479-I535 HydrophobicContact CG2-CG2 3.83Å; V479-L539 HydrophobicContact CG2-CD1 4.02Å; V479-L539 HydrophobicContact CG2-CD2 4.34Å; V479-L539 HydrophobicContact CG2-CG 4.48Å
480	V	94	Very high	82.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-53.8	176.8	174	0	0	0	0	109.6	L371 R431 L434 S476 L477 E478 A482 T483 Y484	L371-V480 HydrophobicContact CD2-CG2 4.18Å; R431-V480 HydrophobicContact CB-CG1 4.15Å; L434-V480 HydrophobicContact CB-CG1 4.16Å; L434-V480 HydrophobicContact CB-CG2 3.96Å; L434-V480 HydrophobicContact CD1-CG1 4.4Å; S476-V480 WeakPolarHBondContact O-CG2 3.47Å; S476-V480 PolarHBondContact O-N 2.95Å; S476-V480 VanDerWaalsContact O-N 3.15Å; L477-V480 WeakPolarHBondContact O-CB 3.45Å; L477-V480 PolarHBondContact O-N 3.38Å; L477-V480 VanDerWaalsContact O-N 3.13Å; E478-V480 PolarHBondContact O-N 3.11Å; V480-A482 PolarHBondContact O-N 2.9Å; V480-T483 WeakPolarHBondContact O-CB 3.48Å; V480-T483 PolarHBondContact O-N 2.73Å; V480-T483 VanDerWaalsContact O-N 3.11Å; V480-Y484 HydrophobicContact CG1-CD2 4.11Å; V480-Y484 HydrophobicContact CG1-CE2 4.04Å; V480-Y484 VanDerWaalsContact O-CD2 3.29Å; V480-Y484 WeakPolarHBondContact O-CD2 3.43Å; V480-Y484 PolarHBondContact O-N 3.01Å
481	M	91.1	Very high	79.5	Confident	2 Å²	2	26 Å²	26	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-48.3	-178.1	-67.3	-46.9	-65.9	0	0	112	F412 F416 R431 L477 E478 T483 Y484 E485 L501	F412-M481 HydrophobicContact CZ-CG 4.46Å; F412-M481 HydrophobicContact CZ-SD 3.84Å; F416-M481 HydrophobicContact CD2-CE 4.17Å; F416-M481 HydrophobicContact CE2-CE 3.78Å; F416-M481 HydrophobicContact CE2-SD 4.42Å; R431-M481 HydrophobicContact CB-SD 4.2Å; R431-M481 HydrophobicContact CG-SD 4.42Å; L477-M481 WeakPolarHBondContact O-CB 3.23Å; L477-M481 VanDerWaalsContact O-CG 3.26Å; L477-M481 WeakPolarHBondContact O-CG 3.17Å; L477-M481 PolarHBondContact O-N 3.19Å; E478-M481 PolarHBondContact O-N 2.72Å; M481-T483 VanDerWaalsContact C-N 3.27Å; M481-T483 PolarHBondContact O-N 3.06Å; M481-Y484 PolarHBondContact O-N 2.93Å; M481-E485 WeakPolarHBondContact CE-OE1 3.31Å; M481-E485 PolarHBondContact O-N 3.47Å; M481-E485 VanDerWaalsContact O-N 3.09Å; M481-L501 HydrophobicContact CE-CB 3.76Å; M481-L501 HydrophobicContact CE-CD1 3.46Å; M481-L501 VanDerWaalsContact CE-CD1 3.46Å; M481-L501 HydrophobicContact CE-CG 4.12Å
482	A	88.9	Confident	76.4	Confident	3 Å²	3	27.9 Å²	27.9	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-34.4	177.4	0	0	0	0	0	113	E478 V480 Y484 E485 F489 I535 H538	E478-A482 WeakPolarHBondContact O-CB 3.46Å; E478-A482 PolarHBondContact O-N 3.35Å; V480-A482 PolarHBondContact O-N 2.9Å; A482-Y484 VanDerWaalsContact C-N 3.29Å; A482-Y484 PolarHBondContact O-N 3.18Å; A482-E485 PolarHBondContact O-N 3.28Å; A482-F489 HydrophobicContact CB-CE1 4.18Å; A482-F489 HydrophobicContact CB-CZ 3.87Å; A482-F489 VanDerWaalsContact O-CZ 3.23Å; A482-F489 WeakPolarHBondContact O-CZ 3.5Å; A482-I535 HydrophobicContact CB-CD1 3.9Å; A482-H538 VanDerWaalsContact CB-CD2 3.43Å; A482-H538 WeakPolarHBondContact CB-CD2 3.07Å
483	T	88.1	Confident	73.4	Confident	7 Å²	7	30.5 Å²	30.5	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-32.4	176.3	-58.2	0	0	0	0	112.2	I368 L371 V479 V480 M481	I368-T483 HydrophobicContact CG1-CG2 4.2Å; L371-T483 HydrophobicContact CB-CG2 4.19Å; L371-T483 HydrophobicContact CD2-CG2 3.97Å; V479-T483 WeakPolarHBondContact O-CB 3.49Å; V479-T483 PolarHBondContact O-N 2.71Å; V479-T483 PolarHBondContact O-OG1 3.12Å; V480-T483 WeakPolarHBondContact O-CB 3.48Å; V480-T483 PolarHBondContact O-N 2.73Å; V480-T483 VanDerWaalsContact O-N 3.11Å; M481-T483 VanDerWaalsContact C-N 3.27Å; M481-T483 PolarHBondContact O-N 3.06Å
484	Y	83.8	Confident	70.5	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-88.9	-13.1	179.5	-78.8	-95	0	0	0	113.5	V198 E273 I368 R372 R431 L434 V480 M481 A482	V198-Y484 HydrophobicContact CB-CD1 4.46Å; V198-Y484 HydrophobicContact CG1-CD1 3.97Å; V198-Y484 HydrophobicContact CG1-CE1 4.35Å; V198-Y484 HydrophobicContact CG2-CD1 4.34Å; V198-Y484 WeakPolarHBondContact CG2-O 3.3Å; E273-Y484 PolarHBondContact OE1-OH 2.72Å; I368-Y484 HydrophobicContact CB-CE1 4.41Å; I368-Y484 HydrophobicContact CD1-CD1 3.26Å; I368-Y484 HydrophobicContact CD1-CE1 3.42Å; I368-Y484 VanDerWaalsContact CD1-CE1 3.42Å; I368-Y484 HydrophobicContact CD1-CG 3.97Å; I368-Y484 HydrophobicContact CG1-CD1 3.63Å; I368-Y484 HydrophobicContact CG1-CD2 4.11Å; I368-Y484 HydrophobicContact CG1-CE1 3.65Å; I368-Y484 HydrophobicContact CG1-CE2 4.1Å; I368-Y484 HydrophobicContact CG1-CG 3.91Å; I368-Y484 HydrophobicContact CG2-CE1 3.82Å; I368-Y484 HydrophobicContact CG2-CE2 4.24Å; R372-Y484 PolarHBondContact NE-OH 3.08Å; R372-Y484 PolarHBondContact NH2-OH 2.75Å; R431-Y484 VanDerWaalsContact NE-CE1 3.3Å; L434-Y484 HydrophobicContact CD1-CE2 3.93Å; L434-Y484 WeakPolarHBondContact CD1-OH 3.45Å; V480-Y484 HydrophobicContact CG1-CD2 4.11Å; V480-Y484 HydrophobicContact CG1-CE2 4.04Å; V480-Y484 VanDerWaalsContact O-CD2 3.29Å; V480-Y484 WeakPolarHBondContact O-CD2 3.43Å; V480-Y484 PolarHBondContact O-N 3.01Å; M481-Y484 PolarHBondContact O-N 2.93Å; A482-Y484 VanDerWaalsContact C-N 3.29Å; A482-Y484 PolarHBondContact O-N 3.18Å
485	E	73	Confident	67.7	Low	30 Å²	30	35.4 Å²	35.4	14%	0.14	21%	0.21	C	C	.	.			trans	-107.5	22.2	-178.4	-76	169.9	-138.5	0	0	113.7	M481 A482 S487 S488 L501 C502	M481-E485 WeakPolarHBondContact CE-OE1 3.31Å; M481-E485 PolarHBondContact O-N 3.47Å; M481-E485 VanDerWaalsContact O-N 3.09Å; A482-E485 PolarHBondContact O-N 3.28Å; E485-S487 PolarHBondContact O-N 3.09Å; E485-S488 PolarHBondContact O-N 2.69Å; E485-L501 WeakPolarHBondContact OE1-CB 3.49Å; E485-C502 PolarHBondContact OE2-N 3.42Å; E485-C502 PolarHBondContact OE2-SG 2.87Å
486	E	57.3	Low	64.8	Low	41 Å²	41	38.9 Å²	38.9	19%	0.192	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.3	-13.3	-165.8	-172.3	168.2	-158.1	0	0	116.3	A363 A364 S367 S488 F489	A363-E486 VanDerWaalsContact C-OE2 3.3Å; A364-E486 VanDerWaalsContact CA-OE2 3.3Å; A364-E486 WeakPolarHBondContact CA-OE2 3.23Å; A364-E486 PolarHBondContact N-OE2 3.07Å; S367-E486 WeakPolarHBondContact CB-OE2 3.38Å; S367-E486 VanDerWaalsContact OG-CD 3.22Å; S367-E486 PolarHBondContact OG-OE1 3.26Å; S367-E486 PolarHBondContact OG-OE2 3.08Å; E486-S488 VanDerWaalsContact C-N 3.33Å; E486-S488 PolarHBondContact O-N 2.96Å; E486-F489 VanDerWaalsContact CA-CE2 3.47Å; E486-F489 HydrophobicContact CB-CD2 4.33Å; E486-F489 HydrophobicContact CB-CE2 3.95Å; E486-F489 HydrophobicContact CG-CD2 3.99Å; E486-F489 HydrophobicContact CG-CE2 3.83Å; E486-F489 VanDerWaalsContact O-CD2 3.29Å; E486-F489 WeakPolarHBondContact O-CD2 3.39Å
487	S	47.3	Very low	61.7	Low	70 Å²	70	46.1 Å²	46.1	49%	0.49	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-71.3	-19.3	171.9	52.9	0	0	0	0	114.6	E485	E485-S487 PolarHBondContact O-N 3.09Å
488	S	46.2	Very low	58.9	Low	30 Å²	30	48.1 Å²	48.1	21%	0.21	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-88	-12	-170.2	-142.7	0	0	0	0	114.4	K144 E485 E486 K490 N491	K144-S488 PolarHBondContact NZ-OG 3.34Å; E485-S488 PolarHBondContact O-N 2.69Å; E486-S488 VanDerWaalsContact C-N 3.33Å; E486-S488 PolarHBondContact O-N 2.96Å; S488-K490 PolarHBondContact O-N 3.33Å; S488-N491 PolarHBondContact O-N 3.48Å
489	F	42.2	Very low	56.8	Low	68 Å²	68	51 Å²	51	30%	0.298	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-2.3	-172.9	-64.8	-57.7	0	0	0	116.4	A482 E486 I535 H538	A482-F489 HydrophobicContact CB-CE1 4.18Å; A482-F489 HydrophobicContact CB-CZ 3.87Å; A482-F489 VanDerWaalsContact O-CZ 3.23Å; A482-F489 WeakPolarHBondContact O-CZ 3.5Å; E486-F489 VanDerWaalsContact CA-CE2 3.47Å; E486-F489 HydrophobicContact CB-CD2 4.33Å; E486-F489 HydrophobicContact CB-CE2 3.95Å; E486-F489 HydrophobicContact CG-CD2 3.99Å; E486-F489 HydrophobicContact CG-CE2 3.83Å; E486-F489 VanDerWaalsContact O-CD2 3.29Å; E486-F489 WeakPolarHBondContact O-CD2 3.39Å; F489-I535 HydrophobicContact CZ-CD1 4.28Å; F489-H538 HydrophobicContact CD1-CB 4.28Å; F489-H538 HydrophobicContact CE1-CB 3.67Å; F489-H538 AromaticContact CE1-CG 3.6Å; F489-H538 AromaticContact CE1-ND1 3.57Å; F489-H538 HydrophobicContact CZ-CB 4.43Å
490	K	42.9	Very low	55.4	Low	188 Å²	188	54 Å²	54	82%	0.817	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-21.2	-175.4	-69.4	-174.1	-179.9	176.5	0	114.6	S488	S488-K490 PolarHBondContact O-N 3.33Å
491	N	35.6	Very low	54.9	Low	97 Å²	97	54.1 Å²	54.1	52%	0.519	33%	0.326	S	S	.	.	S	Bend	trans	-121.6	115.2	-179.2	-71.2	1.8	0	0	0	109.4	S488	S488-N491 PolarHBondContact O-N 3.48Å
492	G	33.6	Very low	54.6	Low	41 Å²	41	55.8 Å²	55.8	42%	0.423	34%	0.337	S	S	.	.			trans	-48.2	145.5	-176.4	0	0	0	0	0	113.4	S494	G492-S494 PolarHBondContact O-N 2.89Å
493	G	34.5	Very low	54.7	Low	54 Å²	54	56.5 Å²	56.5	56%	0.557	34%	0.34	S	S	*	.			trans	-49.7	111.2	-177.2	0	0	0	0	0	112.1
494	S	37.8	Very low	54.9	Low	59 Å²	59	56.9 Å²	56.9	41%	0.413	34%	0.343	S	S	.	.			trans	-87.3	115.6	157.7	43.2	0	0	0	0	106.9	G492 Q496	G492-S494 PolarHBondContact O-N 2.89Å; S494-Q496 VanDerWaalsContact C-N 3.27Å; S494-Q496 PolarHBondContact O-N 2.81Å
495	D	39.5	Very low	55.4	Low	46 Å²	46	58.5 Å²	58.5	25%	0.246	35%	0.348	C	S	.	.			trans	-65.8	93.2	159.3	-103.4	-20.2	0	0	0	105.6	R549 R553	D495-R549 IonicContact OD2-CZ 2.74Å; D495-R549 IonicContact OD2-NE 2.59Å; D495-R549 PolarHBondContact OD2-NE 2.87Å; D495-R549 IonicContact OD2-NH1 3.43Å; D495-R549 PolarHBondContact OD2-NH1 3.2Å; D495-R549 IonicContact OD2-NH2 3.12Å; D495-R549 PolarHBondContact OD2-NH2 3.07Å; D495-R553 IonicContact OD1-NH2 2.8Å; D495-R553 IonicContact OD2-NH2 3.08Å; D495-R553 PolarHBondContact OD2-NH2 3.43Å
496	Q	37.7	Very low	56.5	Low	72 Å²	72	57 Å²	57	34%	0.336	34%	0.342	S	S	.	.			trans	-156.5	141.1	161.7	-114.3	164.6	80.9	0	0	113.3	S137 S494 G498 E729	S137-Q496 PolarHBondContact OG-OE1 3.12Å; S494-Q496 VanDerWaalsContact C-N 3.27Å; S494-Q496 PolarHBondContact O-N 2.81Å; Q496-G498 PolarHBondContact O-N 3.03Å; Q496-E729 PolarHBondContact NE2-OE1 3.45Å; Q496-E729 PolarHBondContact NE2-OE2 3.39Å
497	T	33.7	Very low	58.3	Low	153 Å²	153	55.4 Å²	55.4	94%	0.939	33%	0.334	S	S	*	.	S	Bend	trans	-55.5	95.7	-172.8	49.2	0	0	0	0	112.9
498	G	38	Very low	60.5	Low	41 Å²	41	57.6 Å²	57.6	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	-170.2	120.9	164.5	0	0	0	0	0	106.2	Q496 N500	Q496-G498 PolarHBondContact O-N 3.03Å; G498-N500 VanDerWaalsContact C-N 3.29Å; G498-N500 WeakPolarHBondContact O-CB 3.43Å; G498-N500 PolarHBondContact O-N 3.48Å; G498-N500 PolarHBondContact O-ND2 2.96Å
499	T	52.3	Low	62.8	Low	63 Å²	63	56.8 Å²	56.8	39%	0.387	33%	0.334	S	S	.	.			trans	-13	74.6	172.9	48.1	0	0	0	0	115.2	M193 A419	M193-T499 VanDerWaalsContact SD-O 3.34Å; A419-T499 WeakPolarHBondContact O-CB 3.46Å; A419-T499 WeakPolarHBondContact O-CG2 3.42Å
500	N	66.3	Low	65.4	Low	63 Å²	63	54 Å²	54	34%	0.337	32%	0.323	S	S	.	.			trans	-123	121.8	174.1	-81.8	-84.6	0	0	0	105.6	K144 G498 C502	K144-N500 PolarHBondContact NZ-OD1 3.22Å; G498-N500 VanDerWaalsContact C-N 3.29Å; G498-N500 WeakPolarHBondContact O-CB 3.43Å; G498-N500 PolarHBondContact O-N 3.48Å; G498-N500 PolarHBondContact O-ND2 2.96Å; N500-C502 PolarHBondContact O-N 3.42Å
501	L	82.9	Confident	67.8	Low	4 Å²	4	52.5 Å²	52.5	2%	0.021	32%	0.324	C	S	.	.			trans	-80.7	2.2	179.4	-65.7	176.8	0	0	0	112.2	M193 F416 A419 V420 M481 E485 W505	M193-L501 HydrophobicContact CE-CD1 3.61Å; M193-L501 HydrophobicContact CE-CG 4Å; M193-L501 HydrophobicContact SD-CD1 3.92Å; M193-L501 HydrophobicContact SD-CD2 4.49Å; M193-L501 HydrophobicContact SD-CG 3.71Å; F416-L501 HydrophobicContact CD2-CD1 3.99Å; F416-L501 HydrophobicContact CD2-CD2 4.41Å; F416-L501 HydrophobicContact CE2-CD1 3.6Å; F416-L501 HydrophobicContact CZ-CD1 4.25Å; A419-L501 HydrophobicContact CB-CD2 3.68Å; V420-L501 HydrophobicContact CG2-CD1 3.69Å; V420-L501 HydrophobicContact CG2-CD2 4.48Å; V420-L501 HydrophobicContact CG2-CG 4.43Å; M481-L501 HydrophobicContact CE-CB 3.76Å; M481-L501 HydrophobicContact CE-CD1 3.46Å; M481-L501 VanDerWaalsContact CE-CD1 3.46Å; M481-L501 HydrophobicContact CE-CG 4.12Å; E485-L501 WeakPolarHBondContact OE1-CB 3.49Å; L501-W505 HydrophobicContact CB-CE3 4.49Å; L501-W505 HydrophobicContact CD2-CD2 3.85Å; L501-W505 VanDerWaalsContact CD2-CE2 3.48Å; L501-W505 HydrophobicContact CD2-CE3 4.15Å; L501-W505 HydrophobicContact CD2-CG 4.5Å; L501-W505 HydrophobicContact CD2-CH2 3.85Å; L501-W505 HydrophobicContact CD2-CZ2 3.49Å; L501-W505 VanDerWaalsContact CD2-CZ2 3.49Å; L501-W505 HydrophobicContact CD2-CZ3 4.15Å
502	C	84.6	Confident	70.7	Confident	37 Å²	37	48.7 Å²	48.7	25%	0.25	30%	0.303	C	S	.	.			trans	-63.1	154.4	176.6	-54.6	0	0	0	0	112.4	E485 N500 W505	E485-C502 PolarHBondContact OE2-N 3.42Å; E485-C502 PolarHBondContact OE2-SG 2.87Å; N500-C502 PolarHBondContact O-N 3.42Å; C502-W505 WeakPolarHBondContact O-CB 3.3Å; C502-W505 PolarHBondContact O-N 3.05Å
503	F	91.3	Very high	73.7	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.075	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	131.8	167.9	-171.4	-95.9	0	0	0	111.7	I506 L507 F517 C542 L545 I546 I550	F503-I506 HydrophobicContact CD2-CG2 4.24Å; F503-L507 HydrophobicContact CE2-CD1 3.72Å; F503-L507 HydrophobicContact CE2-CD2 4.18Å; F503-L507 HydrophobicContact CE2-CG 3.82Å; F503-L507 HydrophobicContact CZ-CD1 3.69Å; F503-L507 HydrophobicContact CZ-CG 4.31Å; F503-F517 HydrophobicContact CE2-CD1 4.13Å; F503-F517 AromaticContact CE2-CE1 3.86Å; F503-F517 HydrophobicContact CE2-CE1 3.86Å; F503-F517 HydrophobicContact CE2-CZ 4.26Å; F503-F517 HydrophobicContact CZ-CE1 4.48Å; F503-C542 HydrophobicContact CD1-CB 4.05Å; F503-C542 HydrophobicContact CD2-CB 4.28Å; F503-C542 HydrophobicContact CE1-CB 4.1Å; F503-C542 HydrophobicContact CE2-CB 4.35Å; F503-C542 HydrophobicContact CG-CB 4.14Å; F503-C542 VanDerWaalsContact CG-SG 3.59Å; F503-C542 HydrophobicContact CZ-CB 4.27Å; F503-L545 HydrophobicContact CD1-CD1 3.88Å; F503-L545 HydrophobicContact CE1-CB 4.19Å; F503-L545 HydrophobicContact CE1-CD1 4.35Å; F503-I546 HydrophobicContact CE1-CG1 4.05Å; F503-I546 HydrophobicContact CZ-CD1 3.78Å; F503-I546 HydrophobicContact CZ-CG1 3.65Å; F503-I550 HydrophobicContact CD1-CD1 4.37Å; F503-I550 HydrophobicContact CE1-CD1 3.57Å; F503-I550 HydrophobicContact CZ-CD1 4.22Å
504	P	93.1	Very high	76.7	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.104	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.6	24.1	14.1	38.3	-36.3	0	0	0	115.4	I506 L507 I550	P504-I506 PolarHBondContact O-N 3.49Å; P504-L507 HydrophobicContact CB-CD1 4.03Å; P504-L507 HydrophobicContact CB-CG 4.33Å; P504-L507 WeakPolarHBondContact O-CB 3.31Å; P504-L507 PolarHBondContact O-N 2.75Å; P504-I550 HydrophobicContact CB-CD1 3.9Å; P504-I550 HydrophobicContact CG-CD1 4.07Å
505	W	93.3	Very high	79.5	Confident	38 Å²	38	43.3 Å²	43.3	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-49.7	-44.4	-177.9	176.3	84.1	0	0	0	112.9	F412 K415 F416 L501 C502 L507 N508 V509	F412-W505 HydrophobicContact CD2-CH2 4.11Å; F412-W505 HydrophobicContact CD2-CZ3 4.17Å; F412-W505 AromaticContact CE2-CH2 3.79Å; F412-W505 HydrophobicContact CE2-CH2 3.79Å; F412-W505 AromaticContact CE2-CZ3 3.56Å; F412-W505 HydrophobicContact CE2-CZ3 3.56Å; F412-W505 HydrophobicContact CZ-CH2 4.16Å; F412-W505 HydrophobicContact CZ-CZ3 4.11Å; K415-W505 HydrophobicContact CB-CZ2 4.11Å; F416-W505 HydrophobicContact CB-CH2 4.32Å; F416-W505 HydrophobicContact CD2-CH2 4.39Å; L501-W505 HydrophobicContact CB-CE3 4.49Å; L501-W505 HydrophobicContact CD2-CD2 3.85Å; L501-W505 VanDerWaalsContact CD2-CE2 3.48Å; L501-W505 HydrophobicContact CD2-CE3 4.15Å; L501-W505 HydrophobicContact CD2-CG 4.5Å; L501-W505 HydrophobicContact CD2-CH2 3.85Å; L501-W505 HydrophobicContact CD2-CZ2 3.49Å; L501-W505 VanDerWaalsContact CD2-CZ2 3.49Å; L501-W505 HydrophobicContact CD2-CZ3 4.15Å; C502-W505 WeakPolarHBondContact O-CB 3.3Å; C502-W505 PolarHBondContact O-N 3.05Å; W505-L507 PolarHBondContact O-N 2.95Å; W505-N508 PolarHBondContact O-N 3.22Å; W505-N508 VanDerWaalsContact O-N 3.12Å; W505-V509 HydrophobicContact CD2-CG2 3.69Å; W505-V509 HydrophobicContact CE3-CG2 4.02Å; W505-V509 HydrophobicContact CG-CG2 4.34Å; W505-V509 HydrophobicContact CH2-CG2 3.78Å; W505-V509 HydrophobicContact CZ2-CG2 3.43Å; W505-V509 VanDerWaalsContact CZ2-CG2 3.43Å; W505-V509 HydrophobicContact CZ3-CG2 4.06Å; W505-V509 WeakPolarHBondContact O-CG2 2.96Å; W505-V509 PolarHBondContact O-N 3.37Å; W505-V509 VanDerWaalsContact O-N 3.12Å
506	I	95.8	Very high	82.2	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-32	-179.1	-166.6	57.1	0	0	0	113.6	F412 A474 L477 E478 F503 P504 V509 L510	F412-I506 HydrophobicContact CD2-CD1 3.89Å; F412-I506 HydrophobicContact CE2-CD1 3.78Å; A474-I506 HydrophobicContact CB-CG1 4.29Å; L477-I506 HydrophobicContact CB-CD1 3.8Å; L477-I506 HydrophobicContact CB-CG1 4.16Å; L477-I506 HydrophobicContact CD1-CD1 3.92Å; L477-I506 HydrophobicContact CG-CD1 4.49Å; E478-I506 HydrophobicContact CB-CG2 4.49Å; E478-I506 VanDerWaalsContact OE2-CG2 3.23Å; E478-I506 WeakPolarHBondContact OE2-CG2 3.31Å; F503-I506 HydrophobicContact CD2-CG2 4.24Å; P504-I506 PolarHBondContact O-N 3.49Å; I506-V509 PolarHBondContact O-N 3.49Å; I506-L510 HydrophobicContact CD1-CD1 3.85Å; I506-L510 HydrophobicContact CD1-CG 4.06Å; I506-L510 HydrophobicContact CG1-CD1 3.92Å; I506-L510 HydrophobicContact CG1-CG 4.43Å; I506-L510 WeakPolarHBondContact O-CG 3.12Å; I506-L510 PolarHBondContact O-N 2.97Å; I506-L510 VanDerWaalsContact O-N 3.12Å
507	L	95.6	Very high	85	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-41	178.9	-59.9	-173	0	0	0	111	F503 P504 W505 N511 L512 A514 F517	F503-L507 HydrophobicContact CE2-CD1 3.72Å; F503-L507 HydrophobicContact CE2-CD2 4.18Å; F503-L507 HydrophobicContact CE2-CG 3.82Å; F503-L507 HydrophobicContact CZ-CD1 3.69Å; F503-L507 HydrophobicContact CZ-CG 4.31Å; P504-L507 HydrophobicContact CB-CD1 4.03Å; P504-L507 HydrophobicContact CB-CG 4.33Å; P504-L507 WeakPolarHBondContact O-CB 3.31Å; P504-L507 PolarHBondContact O-N 2.75Å; W505-L507 PolarHBondContact O-N 2.95Å; L507-N511 WeakPolarHBondContact O-CA 3.22Å; L507-N511 PolarHBondContact O-N 3.45Å; L507-L512 HydrophobicContact CD2-CB 4.39Å; L507-L512 HydrophobicContact CD2-CD2 3.97Å; L507-L512 HydrophobicContact CD2-CG 4.3Å; L507-L512 PolarHBondContact O-N 2.9Å; L507-A514 HydrophobicContact CD1-CB 3.72Å; L507-F517 HydrophobicContact CD2-CB 3.68Å; L507-F517 HydrophobicContact CD2-CD1 4.43Å; L507-F517 HydrophobicContact CD2-CD2 3.69Å; L507-F517 HydrophobicContact CD2-CE2 4.39Å; L507-F517 HydrophobicContact CD2-CG 3.69Å
508	N	93.3	Very high	88	Confident	115 Å²	115	32 Å²	32	62%	0.615	19%	0.186	S	C	*	.	H	α-helix	trans	-68.4	-40	177.6	-62.5	-30.6	0	0	0	111.3	W505 L510 N511	W505-N508 PolarHBondContact O-N 3.22Å; W505-N508 VanDerWaalsContact O-N 3.12Å; N508-L510 VanDerWaalsContact C-N 3.34Å; N508-L510 PolarHBondContact O-N 3.43Å; N508-N511 PolarHBondContact O-N 3.15Å
509	V	95.1	Very high	90.8	Very high	14 Å²	14	31.1 Å²	31.1	9%	0.085	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-42	179.5	172.2	0	0	0	0	111.8	F412 K415 W505 I506	F412-V509 HydrophobicContact CB-CG1 4.08Å; F412-V509 HydrophobicContact CD2-CG1 4.03Å; F412-V509 HydrophobicContact CG-CG1 4.47Å; K415-V509 HydrophobicContact CB-CG1 4.29Å; K415-V509 HydrophobicContact CB-CG2 3.94Å; K415-V509 HydrophobicContact CG-CG1 4.46Å; K415-V509 HydrophobicContact CG-CG2 4.31Å; W505-V509 HydrophobicContact CD2-CG2 3.69Å; W505-V509 HydrophobicContact CE3-CG2 4.02Å; W505-V509 HydrophobicContact CG-CG2 4.34Å; W505-V509 HydrophobicContact CH2-CG2 3.78Å; W505-V509 HydrophobicContact CZ2-CG2 3.43Å; W505-V509 VanDerWaalsContact CZ2-CG2 3.43Å; W505-V509 HydrophobicContact CZ3-CG2 4.06Å; W505-V509 WeakPolarHBondContact O-CG2 2.96Å; W505-V509 PolarHBondContact O-N 3.37Å; W505-V509 VanDerWaalsContact O-N 3.12Å; I506-V509 PolarHBondContact O-N 3.49Å
510	L	95.8	Very high	92.9	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.052	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.2	-176.8	-56.3	178.5	0	0	0	113.1	L408 T470 A474 L477 I506 N508 L512	L408-L510 HydrophobicContact CB-CD2 4.05Å; L408-L510 HydrophobicContact CD1-CD2 4.36Å; L408-L510 HydrophobicContact CD2-CD2 3.95Å; L408-L510 HydrophobicContact CG-CD2 4.34Å; T470-L510 HydrophobicContact CG2-CB 4.11Å; A474-L510 HydrophobicContact CB-CD1 3.54Å; L477-L510 HydrophobicContact CD1-CD1 4.14Å; I506-L510 HydrophobicContact CD1-CD1 3.85Å; I506-L510 HydrophobicContact CD1-CG 4.06Å; I506-L510 HydrophobicContact CG1-CD1 3.92Å; I506-L510 HydrophobicContact CG1-CG 4.43Å; I506-L510 WeakPolarHBondContact O-CG 3.12Å; I506-L510 PolarHBondContact O-N 2.97Å; I506-L510 VanDerWaalsContact O-N 3.12Å; N508-L510 VanDerWaalsContact C-N 3.34Å; N508-L510 PolarHBondContact O-N 3.43Å; L510-L512 VanDerWaalsContact C-N 3.27Å; L510-L512 HydrophobicContact CB-CB 4.43Å; L510-L512 PolarHBondContact O-N 2.96Å
511	N	95	Very high	94.3	Very high	156 Å²	156	25.1 Å²	25.1	83%	0.834	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	49	-173.9	-168.7	40.1	0	0	0	112.3	L507 N508	L507-N511 WeakPolarHBondContact O-CA 3.22Å; L507-N511 PolarHBondContact O-N 3.45Å; N508-N511 PolarHBondContact O-N 3.15Å
512	L	96.6	Very high	94.8	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.089	14%	0.143	C	C	.	.			trans	-109	133.5	-175	178.9	65.4	0	0	0	110.5	T467 T470 A474 L507 L510 D516 F517	T467-L512 HydrophobicContact CG2-CD1 4.34Å; T470-L512 HydrophobicContact CG2-CB 4.32Å; T470-L512 HydrophobicContact CG2-CD1 4.22Å; A474-L512 HydrophobicContact CB-CD2 3.67Å; L507-L512 HydrophobicContact CD2-CB 4.39Å; L507-L512 HydrophobicContact CD2-CD2 3.97Å; L507-L512 HydrophobicContact CD2-CG 4.3Å; L507-L512 PolarHBondContact O-N 2.9Å; L510-L512 VanDerWaalsContact C-N 3.27Å; L510-L512 HydrophobicContact CB-CB 4.43Å; L510-L512 PolarHBondContact O-N 2.96Å; L512-D516 HydrophobicContact CD1-CB 4.01Å; L512-F517 HydrophobicContact CD2-CB 3.87Å; L512-F517 HydrophobicContact CD2-CD2 3.92Å; L512-F517 HydrophobicContact CD2-CG 4.4Å; L512-F517 HydrophobicContact CG-CB 4.43Å
513	S	96.4	Very high	95.3	Very high	30 Å²	30	25.4 Å²	25.4	21%	0.21	14%	0.136	C	C	.	.			trans	-69.7	141	174.1	97.9	0	0	0	0	111.1	F515 D516 F517	S513-F515 VanDerWaalsContact C-N 3.25Å; S513-F515 PolarHBondContact O-N 3.47Å; S513-D516 WeakPolarHBondContact CB-OD2 3.44Å; S513-D516 PolarHBondContact O-N 3.48Å; S513-D516 WeakPolarHBondContact OG-CB 3.32Å; S513-D516 PolarHBondContact OG-N 2.62Å; S513-D516 PolarHBondContact OG-OD2 2.92Å; S513-F517 PolarHBondContact O-N 2.52Å
514	A	96.9	Very high	95.6	Very high	10 Å²	10	24.6 Å²	24.6	8%	0.083	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-35	177.4	0	0	0	0	0	112.7	L507 D516 F517 Y518 I546 I550	L507-A514 HydrophobicContact CD1-CB 3.72Å; A514-D516 VanDerWaalsContact C-N 3.32Å; A514-D516 PolarHBondContact O-N 3.43Å; A514-F517 PolarHBondContact O-N 3.48Å; A514-Y518 WeakPolarHBondContact O-CB 3.35Å; A514-Y518 PolarHBondContact O-N 3.04Å; A514-I546 HydrophobicContact CB-CG1 4.18Å; A514-I546 HydrophobicContact CB-CG2 3.99Å; A514-I546 WeakPolarHBondContact O-CG2 3.5Å; A514-I550 HydrophobicContact CB-CB 3.95Å; A514-I550 HydrophobicContact CB-CG2 3.4Å; A514-I550 VanDerWaalsContact CB-CG2 3.4Å
515	F	96.1	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-35.8	177.2	-175.9	-102.7	0	0	0	112	S513 A551 L558 L561 F642	S513-F515 VanDerWaalsContact C-N 3.25Å; S513-F515 PolarHBondContact O-N 3.47Å; F515-A551 HydrophobicContact CB-CB 4.49Å; F515-L558 HydrophobicContact CD2-CB 4.17Å; F515-L558 HydrophobicContact CD2-CD1 4.1Å; F515-L558 HydrophobicContact CE2-CD1 3.76Å; F515-L558 HydrophobicContact CG-CB 4.31Å; F515-L558 HydrophobicContact CZ-CD1 4.3Å; F515-L561 HydrophobicContact CD1-CD1 4.23Å; F515-L561 HydrophobicContact CE1-CD1 3.33Å; F515-L561 HydrophobicContact CZ-CD1 3.8Å; F515-F642 AromaticContact CD2-CD2 3.95Å; F515-F642 HydrophobicContact CD2-CD2 3.95Å; F515-F642 HydrophobicContact CD2-CE2 4.09Å; F515-F642 HydrophobicContact CD2-CG 4.38Å; F515-F642 HydrophobicContact CE2-CB 3.94Å; F515-F642 HydrophobicContact CE2-CD1 4.3Å; F515-F642 AromaticContact CE2-CD2 3.68Å; F515-F642 HydrophobicContact CE2-CD2 3.68Å; F515-F642 HydrophobicContact CE2-CE2 4.24Å; F515-F642 AromaticContact CE2-CG 3.72Å; F515-F642 HydrophobicContact CE2-CG 3.72Å
516	D	95.9	Very high	95.7	Very high	26 Å²	26	27 Å²	27	14%	0.139	14%	0.142	C	C	.	.	H	α-helix	trans	-71	-46.4	173.9	-67	-47.1	0	0	0	111.4	T467 S471 L512 S513 A514 Y518 K519 Y594	T467-D516 HydrophobicContact CG2-CB 3.55Å; S471-D516 PolarHBondContact OG-O 3.41Å; L512-D516 HydrophobicContact CD1-CB 4.01Å; S513-D516 WeakPolarHBondContact CB-OD2 3.44Å; S513-D516 PolarHBondContact O-N 3.48Å; S513-D516 WeakPolarHBondContact OG-CB 3.32Å; S513-D516 PolarHBondContact OG-N 2.62Å; S513-D516 PolarHBondContact OG-OD2 2.92Å; A514-D516 VanDerWaalsContact C-N 3.32Å; A514-D516 PolarHBondContact O-N 3.43Å; D516-Y518 VanDerWaalsContact C-N 3.28Å; D516-Y518 PolarHBondContact O-N 3.25Å; D516-K519 WeakPolarHBondContact O-CB 3.49Å; D516-K519 PolarHBondContact O-N 3.31Å; D516-K519 VanDerWaalsContact O-N 3.08Å; D516-K519 IonicContact OD1-NZ 3.5Å; D516-K519 PolarHBondContact OD1-NZ 3.18Å; D516-Y594 PolarHBondContact O-OH 3.48Å
517	F	98.1	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.1	-44.1	175.1	-178.7	-91.7	0	0	0	112.4	A474 C475 E478 F503 L507 L512 S513 A514 K519 V520 I521 I546	A474-F517 HydrophobicContact CB-CD2 3.73Å; A474-F517 HydrophobicContact CB-CE2 3.77Å; C475-F517 HydrophobicContact CB-CE2 3.94Å; C475-F517 HydrophobicContact CB-CZ 4.22Å; E478-F517 HydrophobicContact CB-CZ 4.5Å; F503-F517 HydrophobicContact CE2-CD1 4.13Å; F503-F517 AromaticContact CE2-CE1 3.86Å; F503-F517 HydrophobicContact CE2-CE1 3.86Å; F503-F517 HydrophobicContact CE2-CZ 4.26Å; F503-F517 HydrophobicContact CZ-CE1 4.48Å; L507-F517 HydrophobicContact CD2-CB 3.68Å; L507-F517 HydrophobicContact CD2-CD1 4.43Å; L507-F517 HydrophobicContact CD2-CD2 3.69Å; L507-F517 HydrophobicContact CD2-CE2 4.39Å; L507-F517 HydrophobicContact CD2-CG 3.69Å; L512-F517 HydrophobicContact CD2-CB 3.87Å; L512-F517 HydrophobicContact CD2-CD2 3.92Å; L512-F517 HydrophobicContact CD2-CG 4.4Å; L512-F517 HydrophobicContact CG-CB 4.43Å; S513-F517 PolarHBondContact O-N 2.52Å; A514-F517 PolarHBondContact O-N 3.48Å; F517-K519 PolarHBondContact O-N 3.16Å; F517-K519 VanDerWaalsContact O-N 3.09Å; F517-V520 WeakPolarHBondContact O-CG1 3.23Å; F517-V520 PolarHBondContact O-N 3.21Å; F517-I521 HydrophobicContact CD1-CD1 3.77Å; F517-I521 HydrophobicContact CD1-CG1 3.97Å; F517-I521 HydrophobicContact CE1-CD1 3.55Å; F517-I521 HydrophobicContact CE1-CG1 3.7Å; F517-I521 HydrophobicContact CZ-CG1 4.47Å; F517-I546 HydrophobicContact CD1-CD1 3.6Å; F517-I546 HydrophobicContact CE1-CD1 4.21Å
518	Y	96.6	Very high	95.5	Very high	7 Å²	7	28 Å²	28	3%	0.027	15%	0.151	C	C	.	.	H	α-helix	trans	-51	-37.2	178.1	162.5	-91.9	0	0	0	113.3	A514 D516 V520 I521 E543 M547 F642 K645	A514-Y518 WeakPolarHBondContact O-CB 3.35Å; A514-Y518 PolarHBondContact O-N 3.04Å; D516-Y518 VanDerWaalsContact C-N 3.28Å; D516-Y518 PolarHBondContact O-N 3.25Å; Y518-V520 PolarHBondContact O-N 2.89Å; Y518-V520 VanDerWaalsContact O-N 3.16Å; Y518-I521 PolarHBondContact O-N 3.21Å; Y518-E543 HydrophobicContact CD2-CG 3.56Å; Y518-E543 HydrophobicContact CE2-CG 3.58Å; Y518-E543 WeakPolarHBondContact CE2-OE1 3.48Å; Y518-M547 HydrophobicContact CD2-CG 4.33Å; Y518-M547 HydrophobicContact CE2-CG 4.02Å; Y518-M547 HydrophobicContact CE2-SD 3.99Å; Y518-F642 HydrophobicContact CD1-CD2 4.02Å; Y518-F642 HydrophobicContact CE1-CB 4.18Å; Y518-F642 AromaticContact CE1-CD2 3.82Å; Y518-F642 HydrophobicContact CE1-CD2 3.82Å; Y518-F642 HydrophobicContact CE2-CD2 4.4Å; Y518-F642 HydrophobicContact CG-CD2 4.41Å; Y518-K645 HydrophobicContact CE2-CD 4.17Å; Y518-K645 WeakPolarHBondContact OH-CD 3.48Å; Y518-K645 WeakPolarHBondContact OH-CG 3.46Å
519	K	95.4	Very high	95.4	Very high	23 Å²	23	27.8 Å²	27.8	10%	0.1	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-23.4	-176.9	-62.2	167.6	-171.1	167.3	0	113.1	D516 F517 L593 Y594	D516-K519 WeakPolarHBondContact O-CB 3.49Å; D516-K519 PolarHBondContact O-N 3.31Å; D516-K519 VanDerWaalsContact O-N 3.08Å; D516-K519 IonicContact OD1-NZ 3.5Å; D516-K519 PolarHBondContact OD1-NZ 3.18Å; F517-K519 PolarHBondContact O-N 3.16Å; F517-K519 VanDerWaalsContact O-N 3.09Å; K519-L593 HydrophobicContact CB-CB 4.05Å; K519-L593 HydrophobicContact CB-CD1 3.9Å; K519-L593 HydrophobicContact CD-CB 4.3Å; K519-L593 HydrophobicContact CG-CB 4.14Å; K519-L593 HydrophobicContact CG-CD1 4.26Å; K519-L593 WeakPolarHBondContact O-CD1 3.46Å; K519-Y594 HydrophobicContact CB-CE1 4.44Å; K519-Y594 HydrophobicContact CB-CE2 3.85Å; K519-Y594 HydrophobicContact CD-CD1 4.43Å; K519-Y594 HydrophobicContact CD-CE1 4.14Å
520	V	97	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-92.8	-26.4	-177.3	83.4	0	0	0	0	113.8	L472 C475 F517 Y518 E522 S523 F524 A590 Y594	L472-V520 HydrophobicContact CB-CG2 4.37Å; L472-V520 HydrophobicContact CD1-CG2 3.95Å; C475-V520 HydrophobicContact CB-CG1 3.81Å; F517-V520 WeakPolarHBondContact O-CG1 3.23Å; F517-V520 PolarHBondContact O-N 3.21Å; Y518-V520 PolarHBondContact O-N 2.89Å; Y518-V520 VanDerWaalsContact O-N 3.16Å; V520-E522 PolarHBondContact O-N 3.32Å; V520-S523 PolarHBondContact O-N 3.32Å; V520-S523 VanDerWaalsContact O-N 3.14Å; V520-F524 WeakPolarHBondContact O-CB 3.5Å; V520-F524 PolarHBondContact O-N 3.41Å; V520-A590 HydrophobicContact CG2-CB 4.47Å; V520-Y594 HydrophobicContact CB-CE2 4.34Å
521	I	96.6	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-54.1	-52.9	-166.6	-60.2	175.5	0	0	0	112.5	F517 Y518 S523 F524 I525 L539 E543 I546	F517-I521 HydrophobicContact CD1-CD1 3.77Å; F517-I521 HydrophobicContact CD1-CG1 3.97Å; F517-I521 HydrophobicContact CE1-CD1 3.55Å; F517-I521 HydrophobicContact CE1-CG1 3.7Å; F517-I521 HydrophobicContact CZ-CG1 4.47Å; Y518-I521 PolarHBondContact O-N 3.21Å; I521-S523 VanDerWaalsContact C-N 3.34Å; I521-S523 PolarHBondContact O-N 3.29Å; I521-F524 WeakPolarHBondContact O-CB 3.37Å; I521-F524 PolarHBondContact O-N 3.19Å; I521-I525 HydrophobicContact CG2-CD1 3.93Å; I521-I525 WeakPolarHBondContact O-CG1 2.89Å; I521-I525 PolarHBondContact O-N 3.04Å; I521-L539 HydrophobicContact CG2-CB 4.09Å; I521-E543 HydrophobicContact CD1-CB 3.86Å; I521-E543 HydrophobicContact CD1-CG 4.13Å; I521-E543 HydrophobicContact CG2-CB 4.49Å; I521-I546 HydrophobicContact CD1-CD1 3.96Å
522	E	92.9	Very high	94.4	Very high	33 Å²	33	26.1 Å²	26.1	15%	0.154	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-38.7	-176.7	-176.4	178	159.6	0	0	112.3	V520 K526 K645	V520-E522 PolarHBondContact O-N 3.32Å; E522-K526 HydrophobicContact CG-CD 4.43Å; E522-K526 VanDerWaalsContact O-CG 3.32Å; E522-K526 WeakPolarHBondContact O-CG 2.96Å; E522-K526 PolarHBondContact O-N 3.49Å; E522-K526 VanDerWaalsContact OE1-CE 3.3Å; E522-K526 WeakPolarHBondContact OE1-CE 3.49Å; E522-K526 IonicContact OE1-NZ 2.67Å; E522-K526 PolarHBondContact OE1-NZ 3.32Å; E522-K645 VanDerWaalsContact OE2-CE 3.27Å; E522-K645 WeakPolarHBondContact OE2-CE 3.41Å; E522-K645 IonicContact OE2-NZ 2.96Å; E522-K645 PolarHBondContact OE2-NZ 2.86Å
523	S	94.3	Very high	94	Very high	15 Å²	15	32.5 Å²	32.5	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-72.1	-34.2	178.2	-62.1	0	0	0	0	111.8	V520 I521 K526 A527 A590	V520-S523 PolarHBondContact O-N 3.32Å; V520-S523 VanDerWaalsContact O-N 3.14Å; I521-S523 VanDerWaalsContact C-N 3.34Å; I521-S523 PolarHBondContact O-N 3.29Å; S523-K526 PolarHBondContact O-N 3.43Å; S523-A527 VanDerWaalsContact O-CB 3.27Å; S523-A527 WeakPolarHBondContact O-CB 3.44Å; S523-A527 PolarHBondContact O-N 2.97Å; S523-A590 WeakPolarHBondContact OG-CB 3.37Å; S523-A590 PolarHBondContact OG-N 3.36Å
524	F	97.5	Very high	93.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-52.7	173.7	-172.2	-79.8	0	0	0	111.1	L438 V442 L472 C475 S476 V479 V520 I521 K526 A527 E528 L531 L539	L438-F524 HydrophobicContact CD2-CZ 3.98Å; L438-F524 HydrophobicContact CG-CZ 4.11Å; V442-F524 HydrophobicContact CB-CD2 4.45Å; V442-F524 HydrophobicContact CB-CE2 4.18Å; V442-F524 HydrophobicContact CG1-CD2 3.75Å; V442-F524 HydrophobicContact CG1-CE2 3.97Å; V442-F524 HydrophobicContact CG1-CG 4.28Å; V442-F524 HydrophobicContact CG2-CD2 4.42Å; V442-F524 HydrophobicContact CG2-CE2 3.87Å; V442-F524 HydrophobicContact CG2-CZ 3.93Å; L472-F524 HydrophobicContact CD1-CD2 3.76Å; L472-F524 HydrophobicContact CD1-CE2 4.2Å; C475-F524 HydrophobicContact CB-CD2 3.78Å; C475-F524 HydrophobicContact CB-CE2 4.01Å; C475-F524 HydrophobicContact CB-CG 4.31Å; C475-F524 VanDerWaalsContact SG-CD2 3.59Å; C475-F524 WeakPolarHBondContact SG-CG 3.29Å; S476-F524 WeakPolarHBondContact OG-CE2 3.41Å; V479-F524 HydrophobicContact CG2-CE1 3.78Å; V479-F524 HydrophobicContact CG2-CZ 4.07Å; V520-F524 WeakPolarHBondContact O-CB 3.5Å; V520-F524 PolarHBondContact O-N 3.41Å; I521-F524 WeakPolarHBondContact O-CB 3.37Å; I521-F524 PolarHBondContact O-N 3.19Å; F524-K526 PolarHBondContact O-N 3.18Å; F524-A527 PolarHBondContact O-N 3.07Å; F524-A527 VanDerWaalsContact O-N 3.07Å; F524-E528 PolarHBondContact O-N 3.46Å; F524-L531 HydrophobicContact CD1-CD1 4.16Å; F524-L531 HydrophobicContact CE1-CD1 4.01Å; F524-L539 HydrophobicContact CD1-CD1 4.11Å; F524-L539 HydrophobicContact CE1-CD1 4.41Å
525	I	95.3	Very high	93.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-36.1	-179.9	-61.6	165.4	0	0	0	110.9	I521 I536 L539 Y782	I521-I525 HydrophobicContact CG2-CD1 3.93Å; I521-I525 WeakPolarHBondContact O-CG1 2.89Å; I521-I525 PolarHBondContact O-N 3.04Å; I525-I536 HydrophobicContact CG2-CD1 4.45Å; I525-I536 HydrophobicContact CG2-CG1 4.16Å; I525-I536 HydrophobicContact CG2-CG2 4.26Å; I525-L539 HydrophobicContact CD1-CB 3.99Å; I525-L539 HydrophobicContact CD1-CD1 4.27Å; I525-L539 HydrophobicContact CG1-CB 4.42Å; I525-L539 HydrophobicContact CG1-CD1 3.76Å; I525-Y782 HydrophobicContact CB-CE1 4.28Å; I525-Y782 WeakPolarHBondContact CB-OH 3.33Å; I525-Y782 HydrophobicContact CG2-CD1 4.15Å; I525-Y782 HydrophobicContact CG2-CE1 3.32Å; I525-Y782 HydrophobicContact CG2-CE2 4.38Å; I525-Y782 VanDerWaalsContact CG2-CZ 3.46Å; I525-Y782 WeakPolarHBondContact CG2-OH 3.41Å
526	K	93.5	Very high	92.9	Very high	96 Å²	96	36.7 Å²	36.7	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-69.3	-34.6	175.9	-73.4	173.8	-173.6	169.4	0	113	E522 S523 F524	E522-K526 HydrophobicContact CG-CD 4.43Å; E522-K526 VanDerWaalsContact O-CG 3.32Å; E522-K526 WeakPolarHBondContact O-CG 2.96Å; E522-K526 PolarHBondContact O-N 3.49Å; E522-K526 VanDerWaalsContact OE1-CE 3.3Å; E522-K526 WeakPolarHBondContact OE1-CE 3.49Å; E522-K526 IonicContact OE1-NZ 2.67Å; E522-K526 PolarHBondContact OE1-NZ 3.32Å; S523-K526 PolarHBondContact O-N 3.43Å; F524-K526 PolarHBondContact O-N 3.18Å
527	A	94.6	Very high	92.7	Very high	21 Å²	21	41.4 Å²	41.4	17%	0.174	22%	0.217	C	C	.	.	H	α-helix	trans	-80.9	-22.9	-177.3	0	0	0	0	0	113.3	V442 A445 M446 S523 F524 P529	V442-A527 HydrophobicContact CG1-CB 3.87Å; A445-A527 HydrophobicContact CB-CB 4.13Å; M446-A527 HydrophobicContact CG-CB 3.59Å; S523-A527 VanDerWaalsContact O-CB 3.27Å; S523-A527 WeakPolarHBondContact O-CB 3.44Å; S523-A527 PolarHBondContact O-N 2.97Å; F524-A527 PolarHBondContact O-N 3.07Å; F524-A527 VanDerWaalsContact O-N 3.07Å; A527-P529 WeakPolarHBondContact O-CD 3.41Å
528	E	93.8	Very high	92.3	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.037	22%	0.223	C	C	.	.			trans	-116.8	87.5	174.6	-172.4	60.8	-94.8	0	0	111.7	L438 K441 V442 F524 T530 L531	L438-E528 HydrophobicContact CD1-CG 4.49Å; K441-E528 WeakPolarHBondContact CD-OE2 3.4Å; K441-E528 WeakPolarHBondContact CE-OE2 2.94Å; K441-E528 IonicContact NZ-OE1 2.82Å; K441-E528 PolarHBondContact NZ-OE1 2.96Å; K441-E528 IonicContact NZ-OE2 3.98Å; K441-E528 PolarHBondContact NZ-OE2 3.02Å; V442-E528 HydrophobicContact CG2-CB 4.08Å; F524-E528 PolarHBondContact O-N 3.46Å; E528-T530 VanDerWaalsContact C-N 3.26Å; E528-T530 PolarHBondContact O-N 2.92Å; E528-T530 PolarHBondContact OE1-OG1 3.17Å; E528-T530 VanDerWaalsContact OE1-OG1 3.06Å; E528-L531 HydrophobicContact CB-CD1 4.22Å; E528-L531 HydrophobicContact CB-CD2 4.44Å; E528-L531 HydrophobicContact CB-CG 3.98Å; E528-L531 HydrophobicContact CG-CD1 4.42Å; E528-L531 HydrophobicContact CG-CD2 3.8Å; E528-L531 HydrophobicContact CG-CG 3.66Å; E528-L531 WeakPolarHBondContact O-CG 3.43Å
529	P	89.6	Confident	92.2	Very high	109 Å²	109	42.3 Å²	42.3	71%	0.708	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.1	-179	30.8	-35.6	0	0	0	113.9	A527 L531	A527-P529 WeakPolarHBondContact O-CD 3.41Å; P529-L531 VanDerWaalsContact C-N 3.3Å
530	T	88.6	Confident	92.1	Very high	73 Å²	73	44 Å²	44	45%	0.448	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.7	179.8	77.8	0	0	0	0	113.6	D374 E528 S532	D374-T530 WeakPolarHBondContact OD2-CB 3.23Å; D374-T530 PolarHBondContact OD2-OG1 3.39Å; E528-T530 VanDerWaalsContact C-N 3.26Å; E528-T530 PolarHBondContact O-N 2.92Å; E528-T530 PolarHBondContact OE1-OG1 3.17Å; E528-T530 VanDerWaalsContact OE1-OG1 3.06Å; T530-S532 PolarHBondContact O-N 2.89Å
531	L	89.3	Confident	91.8	Very high	20 Å²	20	45.8 Å²	45.8	11%	0.105	24%	0.241	C	C	.	.			trans	-55.2	136.6	176	-65.5	177.4	0	0	0	111.6	V479 F524 E528 P529 I535 I536 L539	V479-L531 HydrophobicContact CG1-CD2 4.06Å; V479-L531 HydrophobicContact CG2-CD2 4.47Å; F524-L531 HydrophobicContact CD1-CD1 4.16Å; F524-L531 HydrophobicContact CE1-CD1 4.01Å; E528-L531 HydrophobicContact CB-CD1 4.22Å; E528-L531 HydrophobicContact CB-CD2 4.44Å; E528-L531 HydrophobicContact CB-CG 3.98Å; E528-L531 HydrophobicContact CG-CD1 4.42Å; E528-L531 HydrophobicContact CG-CD2 3.8Å; E528-L531 HydrophobicContact CG-CG 3.66Å; E528-L531 WeakPolarHBondContact O-CG 3.43Å; P529-L531 VanDerWaalsContact C-N 3.3Å; L531-I535 HydrophobicContact CD2-CG2 4.09Å; L531-I536 HydrophobicContact CB-CD1 4.25Å; L531-I536 HydrophobicContact CB-CG1 3.87Å; L531-I536 HydrophobicContact CD1-CG1 4.47Å; L531-L539 HydrophobicContact CD1-CD1 4.25Å
532	S	88.4	Confident	91.7	Very high	52 Å²	52	45.9 Å²	45.9	36%	0.364	24%	0.241	S	C	.	.			trans	-66.1	156.5	174.6	80.1	0	0	0	0	111.1	T530 D534 I535 I536	T530-S532 PolarHBondContact O-N 2.89Å; S532-D534 PolarHBondContact O-N 3.26Å; S532-I535 PolarHBondContact O-N 3.49Å; S532-I535 WeakPolarHBondContact OG-CG1 3.35Å; S532-I535 PolarHBondContact OG-N 3.04Å; S532-I536 WeakPolarHBondContact O-CG1 3.33Å; S532-I536 PolarHBondContact O-N 3.08Å
533	K	87.4	Confident	91.8	Very high	151 Å²	151	45.3 Å²	45.3	66%	0.657	24%	0.239	S	C	*	.	H	α-helix	trans	-59.5	-34.7	178	-68.5	179.5	-178.1	171.2	0	112.3	K537	K533-K537 WeakPolarHBondContact O-CB 3.37Å; K533-K537 PolarHBondContact O-N 2.85Å
534	D	85.3	Confident	91.8	Very high	87 Å²	87	46.9 Å²	46.9	47%	0.465	25%	0.246	S	C	.	.	H	α-helix	trans	-70.1	-39.4	-179.8	-61.9	-50.7	0	0	0	111.3	S532 K537 H538	S532-D534 PolarHBondContact O-N 3.26Å; D534-K537 PolarHBondContact O-N 3.37Å; D534-H538 WeakPolarHBondContact O-CB 3.5Å; D534-H538 PolarHBondContact O-N 3.23Å
535	I	89.9	Confident	91.6	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-39.9	174.5	-64.3	-62.4	0	0	0	111.9	V479 A482 F489 L531 S532 K537 H538 L539	V479-I535 HydrophobicContact CB-CG2 4.37Å; V479-I535 HydrophobicContact CG1-CG2 3.98Å; V479-I535 HydrophobicContact CG2-CG2 3.83Å; A482-I535 HydrophobicContact CB-CD1 3.9Å; F489-I535 HydrophobicContact CZ-CD1 4.28Å; L531-I535 HydrophobicContact CD2-CG2 4.09Å; S532-I535 PolarHBondContact O-N 3.49Å; S532-I535 WeakPolarHBondContact OG-CG1 3.35Å; S532-I535 PolarHBondContact OG-N 3.04Å; I535-K537 VanDerWaalsContact C-N 3.33Å; I535-K537 PolarHBondContact O-N 3.08Å; I535-H538 WeakPolarHBondContact O-CB 3.43Å; I535-H538 PolarHBondContact O-N 2.76Å; I535-L539 HydrophobicContact CG2-CD1 4.47Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 2.9Å
536	I	91.9	Very high	91.6	Very high	33 Å²	33	48.3 Å²	48.3	17%	0.169	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-47.2	174.3	-66.1	170.7	0	0	0	110	I525 L531 S532 H538 L539 E540	I525-I536 HydrophobicContact CG2-CD1 4.45Å; I525-I536 HydrophobicContact CG2-CG1 4.16Å; I525-I536 HydrophobicContact CG2-CG2 4.26Å; L531-I536 HydrophobicContact CB-CD1 4.25Å; L531-I536 HydrophobicContact CB-CG1 3.87Å; L531-I536 HydrophobicContact CD1-CG1 4.47Å; S532-I536 WeakPolarHBondContact O-CG1 3.33Å; S532-I536 PolarHBondContact O-N 3.08Å; I536-H538 VanDerWaalsContact C-N 3.27Å; I536-H538 PolarHBondContact O-N 3.02Å; I536-L539 PolarHBondContact O-N 2.86Å; I536-E540 WeakPolarHBondContact O-CG 3.42Å; I536-E540 PolarHBondContact O-N 2.98Å
537	K	90.4	Very high	91.7	Very high	125 Å²	125	44 Å²	44	54%	0.543	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-36.6	177	-174.6	-175.1	176	-166.6	0	112	K533 D534 I535 T541	K533-K537 WeakPolarHBondContact O-CB 3.37Å; K533-K537 PolarHBondContact O-N 2.85Å; D534-K537 PolarHBondContact O-N 3.37Å; I535-K537 VanDerWaalsContact C-N 3.33Å; I535-K537 PolarHBondContact O-N 3.08Å; K537-T541 WeakPolarHBondContact O-CB 3.03Å; K537-T541 PolarHBondContact O-N 3.02Å; K537-T541 PolarHBondContact O-OG1 3.16Å
538	H	90.3	Very high	91.7	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.116	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-49.2	173.9	175.8	61.7	0	0	0	112	E478 A482 F489 D534 I535 I536 E540 T541 C542	E478-H538 IonicContact OE1-CD2 2.75Å; E478-H538 IonicContact OE1-CE1 3.6Å; E478-H538 PolarHBondContact OE1-CE1 2.79Å; E478-H538 IonicContact OE1-NE2 2.62Å; E478-H538 PolarHBondContact OE1-NE2 3.09Å; A482-H538 VanDerWaalsContact CB-CD2 3.43Å; A482-H538 WeakPolarHBondContact CB-CD2 3.07Å; F489-H538 HydrophobicContact CD1-CB 4.28Å; F489-H538 HydrophobicContact CE1-CB 3.67Å; F489-H538 AromaticContact CE1-CG 3.6Å; F489-H538 AromaticContact CE1-ND1 3.57Å; F489-H538 HydrophobicContact CZ-CB 4.43Å; D534-H538 WeakPolarHBondContact O-CB 3.5Å; D534-H538 PolarHBondContact O-N 3.23Å; I535-H538 WeakPolarHBondContact O-CB 3.43Å; I535-H538 PolarHBondContact O-N 2.76Å; I536-H538 VanDerWaalsContact C-N 3.27Å; I536-H538 PolarHBondContact O-N 3.02Å; H538-E540 VanDerWaalsContact C-N 3.35Å; H538-E540 PolarHBondContact O-N 2.94Å; H538-T541 CarbonylContact O-C 3.5Å; H538-T541 WeakPolarHBondContact O-CA 3.45Å; H538-T541 VanDerWaalsContact O-CB 3.31Å; H538-T541 WeakPolarHBondContact O-CB 3.33Å; H538-T541 PolarHBondContact O-N 2.87Å; H538-C542 VanDerWaalsContact CE1-SG 3.57Å; H538-C542 PolarHBondContact O-N 3.13Å; H538-C542 PolarHBondContact O-SG 3.38Å
539	L	94.6	Very high	91.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-38.7	177.3	-69.1	178	0	0	0	112.3	E478 V479 I521 F524 I525 L531 I535 I536 T541 C542 E543	E478-L539 HydrophobicContact CG-CD2 4.36Å; V479-L539 HydrophobicContact CG2-CD1 4.02Å; V479-L539 HydrophobicContact CG2-CD2 4.34Å; V479-L539 HydrophobicContact CG2-CG 4.48Å; I521-L539 HydrophobicContact CG2-CB 4.09Å; F524-L539 HydrophobicContact CD1-CD1 4.11Å; F524-L539 HydrophobicContact CE1-CD1 4.41Å; I525-L539 HydrophobicContact CD1-CB 3.99Å; I525-L539 HydrophobicContact CD1-CD1 4.27Å; I525-L539 HydrophobicContact CG1-CB 4.42Å; I525-L539 HydrophobicContact CG1-CD1 3.76Å; L531-L539 HydrophobicContact CD1-CD1 4.25Å; I535-L539 HydrophobicContact CG2-CD1 4.47Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 2.9Å; I536-L539 PolarHBondContact O-N 2.86Å; L539-T541 VanDerWaalsContact C-N 3.27Å; L539-T541 PolarHBondContact O-N 3.34Å; L539-C542 WeakPolarHBondContact O-CB 3.29Å; L539-C542 PolarHBondContact O-N 3.22Å; L539-E543 PolarHBondContact O-N 2.94Å
540	E	92.3	Very high	92	Very high	58 Å²	58	42.6 Å²	42.6	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-35.9	170.8	-72.2	-178.5	154.1	0	0	111.6	I536 H538 E543 N544 Y782	I536-E540 WeakPolarHBondContact O-CG 3.42Å; I536-E540 PolarHBondContact O-N 2.98Å; H538-E540 VanDerWaalsContact C-N 3.35Å; H538-E540 PolarHBondContact O-N 2.94Å; E540-E543 PolarHBondContact O-N 2.83Å; E540-N544 VanDerWaalsContact O-CG 3.26Å; E540-N544 PolarHBondContact O-N 3.21Å; E540-N544 PolarHBondContact O-ND2 3.33Å; E540-Y782 VanDerWaalsContact OE1-CD2 3.28Å; E540-Y782 WeakPolarHBondContact OE1-CD2 3.47Å
541	T	91.5	Very high	92.4	Very high	39 Å²	39	39.1 Å²	39.1	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-43.7	175.4	-57.9	0	0	0	0	110.9	K537 H538 L539 E543 N544 L545	K537-T541 WeakPolarHBondContact O-CB 3.03Å; K537-T541 PolarHBondContact O-N 3.02Å; K537-T541 PolarHBondContact O-OG1 3.16Å; H538-T541 CarbonylContact O-C 3.5Å; H538-T541 WeakPolarHBondContact O-CA 3.45Å; H538-T541 VanDerWaalsContact O-CB 3.31Å; H538-T541 WeakPolarHBondContact O-CB 3.33Å; H538-T541 PolarHBondContact O-N 2.87Å; L539-T541 VanDerWaalsContact C-N 3.27Å; L539-T541 PolarHBondContact O-N 3.34Å; T541-E543 VanDerWaalsContact C-N 3.32Å; T541-E543 PolarHBondContact O-N 3.02Å; T541-N544 PolarHBondContact O-N 3.08Å; T541-L545 HydrophobicContact CG2-CD1 4.41Å; T541-L545 WeakPolarHBondContact O-CG 3.35Å; T541-L545 PolarHBondContact O-N 2.93Å
542	C	94.3	Very high	92.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-45.3	172.9	-62.6	0	0	0	0	111.1	F503 H538 L539 N544 L545 I546	F503-C542 HydrophobicContact CD1-CB 4.05Å; F503-C542 HydrophobicContact CD2-CB 4.28Å; F503-C542 HydrophobicContact CE1-CB 4.1Å; F503-C542 HydrophobicContact CE2-CB 4.35Å; F503-C542 HydrophobicContact CG-CB 4.14Å; F503-C542 VanDerWaalsContact CG-SG 3.59Å; F503-C542 HydrophobicContact CZ-CB 4.27Å; H538-C542 VanDerWaalsContact CE1-SG 3.57Å; H538-C542 PolarHBondContact O-N 3.13Å; H538-C542 PolarHBondContact O-SG 3.38Å; L539-C542 WeakPolarHBondContact O-CB 3.29Å; L539-C542 PolarHBondContact O-N 3.22Å; C542-N544 VanDerWaalsContact C-N 3.33Å; C542-N544 PolarHBondContact O-N 3.16Å; C542-L545 PolarHBondContact O-N 2.92Å; C542-I546 WeakPolarHBondContact O-CD1 3.49Å; C542-I546 VanDerWaalsContact O-CG1 3.22Å; C542-I546 WeakPolarHBondContact O-CG1 3.48Å; C542-I546 PolarHBondContact O-N 3.21Å
543	E	95.4	Very high	93	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-45	176.5	-162.8	-177.2	-157.7	0	0	111.8	Y518 I521 L539 E540 T541 I546 M547 K645	Y518-E543 HydrophobicContact CD2-CG 3.56Å; Y518-E543 HydrophobicContact CE2-CG 3.58Å; Y518-E543 WeakPolarHBondContact CE2-OE1 3.48Å; I521-E543 HydrophobicContact CD1-CB 3.86Å; I521-E543 HydrophobicContact CD1-CG 4.13Å; I521-E543 HydrophobicContact CG2-CB 4.49Å; L539-E543 PolarHBondContact O-N 2.94Å; E540-E543 PolarHBondContact O-N 2.83Å; T541-E543 VanDerWaalsContact C-N 3.32Å; T541-E543 PolarHBondContact O-N 3.02Å; E543-I546 PolarHBondContact O-N 3.05Å; E543-M547 HydrophobicContact CG-CE 4.07Å; E543-M547 WeakPolarHBondContact O-CG 3.29Å; E543-M547 PolarHBondContact O-N 2.83Å; E543-M547 VanDerWaalsContact O-N 3.07Å; E543-K645 WeakPolarHBondContact OE1-CD 3.3Å; E543-K645 WeakPolarHBondContact OE1-CE 3.42Å; E543-K645 IonicContact OE1-NZ 2.99Å; E543-K645 PolarHBondContact OE1-NZ 2.88Å; E543-K645 IonicContact OE2-NZ 3.49Å
544	N	93.3	Very high	93.3	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-43.5	177	-68.8	-38.6	0	0	0	112.5	E540 T541 C542 I546 M547 E548 L649	E540-N544 VanDerWaalsContact O-CG 3.26Å; E540-N544 PolarHBondContact O-N 3.21Å; E540-N544 PolarHBondContact O-ND2 3.33Å; T541-N544 PolarHBondContact O-N 3.08Å; C542-N544 VanDerWaalsContact C-N 3.33Å; C542-N544 PolarHBondContact O-N 3.16Å; N544-I546 PolarHBondContact O-N 3.23Å; N544-M547 PolarHBondContact O-N 3.37Å; N544-M547 WeakPolarHBondContact OD1-CE 3.3Å; N544-E548 WeakPolarHBondContact O-CB 3.45Å; N544-E548 VanDerWaalsContact O-CG 3.3Å; N544-E548 WeakPolarHBondContact O-CG 3.2Å; N544-E548 PolarHBondContact O-N 3.3Å; N544-L649 HydrophobicContact CB-CD2 4.21Å
545	L	93.6	Very high	93.5	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-39.4	175.7	-72.7	171.2	0	0	0	111.5	F503 T541 C542 E548 R549 I550	F503-L545 HydrophobicContact CD1-CD1 3.88Å; F503-L545 HydrophobicContact CE1-CB 4.19Å; F503-L545 HydrophobicContact CE1-CD1 4.35Å; T541-L545 HydrophobicContact CG2-CD1 4.41Å; T541-L545 WeakPolarHBondContact O-CG 3.35Å; T541-L545 PolarHBondContact O-N 2.93Å; C542-L545 PolarHBondContact O-N 2.92Å; L545-E548 WeakPolarHBondContact CD2-OE1 3.27Å; L545-R549 PolarHBondContact O-N 3.45Å; L545-I550 HydrophobicContact CB-CD1 4.21Å; L545-I550 PolarHBondContact O-N 3.34Å; L545-I550 VanDerWaalsContact O-N 3.17Å
546	I	96.3	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-51.1	176.3	-63.5	163.2	0	0	0	110.5	F503 A514 F517 I521 C542 E543 N544 E548 I550 A551	F503-I546 HydrophobicContact CE1-CG1 4.05Å; F503-I546 HydrophobicContact CZ-CD1 3.78Å; F503-I546 HydrophobicContact CZ-CG1 3.65Å; A514-I546 HydrophobicContact CB-CG1 4.18Å; A514-I546 HydrophobicContact CB-CG2 3.99Å; A514-I546 WeakPolarHBondContact O-CG2 3.5Å; F517-I546 HydrophobicContact CD1-CD1 3.6Å; F517-I546 HydrophobicContact CE1-CD1 4.21Å; I521-I546 HydrophobicContact CD1-CD1 3.96Å; C542-I546 WeakPolarHBondContact O-CD1 3.49Å; C542-I546 VanDerWaalsContact O-CG1 3.22Å; C542-I546 WeakPolarHBondContact O-CG1 3.48Å; C542-I546 PolarHBondContact O-N 3.21Å; E543-I546 PolarHBondContact O-N 3.05Å; N544-I546 PolarHBondContact O-N 3.23Å; I546-E548 VanDerWaalsContact C-N 3.34Å; I546-E548 PolarHBondContact O-N 2.83Å; I546-I550 PolarHBondContact O-N 3.36Å; I546-A551 HydrophobicContact CG2-CB 3.75Å; I546-A551 VanDerWaalsContact O-CB 3.27Å; I546-A551 WeakPolarHBondContact O-CB 3.33Å; I546-A551 PolarHBondContact O-N 3.01Å
547	M	95.9	Very high	93.7	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-35.5	-177.8	-71.3	-173.4	-69.1	0	0	113.1	Y518 E543 N544 W552 F642 K645 L646 L649	Y518-M547 HydrophobicContact CD2-CG 4.33Å; Y518-M547 HydrophobicContact CE2-CG 4.02Å; Y518-M547 HydrophobicContact CE2-SD 3.99Å; E543-M547 HydrophobicContact CG-CE 4.07Å; E543-M547 WeakPolarHBondContact O-CG 3.29Å; E543-M547 PolarHBondContact O-N 2.83Å; E543-M547 VanDerWaalsContact O-N 3.07Å; N544-M547 PolarHBondContact O-N 3.37Å; N544-M547 WeakPolarHBondContact OD1-CE 3.3Å; M547-W552 PolarHBondContact O-NE1 3.21Å; M547-F642 HydrophobicContact CG-CD2 4.4Å; M547-F642 HydrophobicContact CG-CE2 3.9Å; M547-F642 HydrophobicContact CG-CZ 4.46Å; M547-K645 HydrophobicContact CE-CB 4.33Å; M547-K645 HydrophobicContact SD-CB 3.36Å; M547-K645 WeakPolarHBondContact SD-CB 3.25Å; M547-K645 HydrophobicContact SD-CD 4.49Å; M547-L646 HydrophobicContact CB-CD1 4.28Å; M547-L646 WeakPolarHBondContact O-CD1 3.36Å; M547-L649 HydrophobicContact CB-CD2 4.12Å; M547-L649 HydrophobicContact CE-CD2 4.16Å
548	E	93.9	Very high	93.9	Very high	13 Å²	13	29.6 Å²	29.6	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-83.8	-24.5	-175.5	76.1	-171.8	-171.2	0	0	114	N544 L545 I546 L649 R653 H691 L692	N544-E548 WeakPolarHBondContact O-CB 3.45Å; N544-E548 VanDerWaalsContact O-CG 3.3Å; N544-E548 WeakPolarHBondContact O-CG 3.2Å; N544-E548 PolarHBondContact O-N 3.3Å; L545-E548 WeakPolarHBondContact CD2-OE1 3.27Å; I546-E548 VanDerWaalsContact C-N 3.34Å; I546-E548 PolarHBondContact O-N 2.83Å; E548-L649 HydrophobicContact CB-CD2 4.4Å; E548-R653 IonicContact OE2-CZ 2.76Å; E548-R653 IonicContact OE2-NH1 2.75Å; E548-R653 PolarHBondContact OE2-NH1 2.89Å; E548-R653 IonicContact OE2-NH2 3.35Å; E548-R653 PolarHBondContact OE2-NH2 2.62Å; E548-H691 VanDerWaalsContact CD-NE2 3.32Å; E548-H691 CarbonylContact O-C 3.47Å; E548-H691 WeakPolarHBondContact O-CA 3.18Å; E548-H691 IonicContact OE1-NE2 2.68Å; E548-H691 PolarHBondContact OE1-NE2 3.47Å; E548-H691 IonicContact OE2-CE1 3.02Å; E548-H691 IonicContact OE2-NE2 2.76Å; E548-L692 HydrophobicContact CB-CB 3.95Å; E548-L692 HydrophobicContact CB-CD2 4.32Å; E548-L692 WeakPolarHBondContact O-CB 3.42Å; E548-L692 PolarHBondContact O-N 3.2Å
549	R	94.6	Very high	94.1	Very high	83 Å²	83	28.8 Å²	28.8	31%	0.313	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.7	-58.5	-171.1	-174.1	-175.8	-179.3	178.3	-2.9	114	D495 L545 A551 W552	D495-R549 IonicContact OD2-CZ 2.74Å; D495-R549 IonicContact OD2-NE 2.59Å; D495-R549 PolarHBondContact OD2-NE 2.87Å; D495-R549 IonicContact OD2-NH1 3.43Å; D495-R549 PolarHBondContact OD2-NH1 3.2Å; D495-R549 IonicContact OD2-NH2 3.12Å; D495-R549 PolarHBondContact OD2-NH2 3.07Å; L545-R549 PolarHBondContact O-N 3.45Å; R549-A551 PolarHBondContact O-N 3.26Å; R549-W552 WeakPolarHBondContact O-CB 3.41Å; R549-W552 PolarHBondContact O-N 2.92Å
550	I	95.1	Very high	93.8	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.072	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-70.2	-35.7	-161	-50.1	171.4	0	0	0	112.2	F503 P504 A514 L545 I546 W552 R553	F503-I550 HydrophobicContact CD1-CD1 4.37Å; F503-I550 HydrophobicContact CE1-CD1 3.57Å; F503-I550 HydrophobicContact CZ-CD1 4.22Å; P504-I550 HydrophobicContact CB-CD1 3.9Å; P504-I550 HydrophobicContact CG-CD1 4.07Å; A514-I550 HydrophobicContact CB-CB 3.95Å; A514-I550 HydrophobicContact CB-CG2 3.4Å; A514-I550 VanDerWaalsContact CB-CG2 3.4Å; L545-I550 HydrophobicContact CB-CD1 4.21Å; L545-I550 PolarHBondContact O-N 3.34Å; L545-I550 VanDerWaalsContact O-N 3.17Å; I546-I550 PolarHBondContact O-N 3.36Å; I550-W552 PolarHBondContact O-N 3.44Å; I550-W552 VanDerWaalsContact O-N 3.16Å; I550-R553 PolarHBondContact O-N 2.77Å
551	A	96.4	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-65.9	-13.8	175.2	0	0	0	0	0	113.5	F515 I546 R549 S556 L558 F642	F515-A551 HydrophobicContact CB-CB 4.49Å; I546-A551 HydrophobicContact CG2-CB 3.75Å; I546-A551 VanDerWaalsContact O-CB 3.27Å; I546-A551 WeakPolarHBondContact O-CB 3.33Å; I546-A551 PolarHBondContact O-N 3.01Å; R549-A551 PolarHBondContact O-N 3.26Å; A551-S556 WeakPolarHBondContact O-CB 3.44Å; A551-S556 PolarHBondContact O-OG 2.98Å; A551-L558 HydrophobicContact CB-CD2 4.1Å; A551-L558 WeakPolarHBondContact O-CD2 3.35Å; A551-F642 HydrophobicContact CB-CE2 3.99Å; A551-F642 HydrophobicContact CB-CZ 3.82Å
552	W	96.8	Very high	93.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-101.1	7.3	-178.4	-55.5	97.7	0	0	0	113.4	M547 R549 I550 L558 F559 L562 F642 L646 M687 R688 D689	M547-W552 PolarHBondContact O-NE1 3.21Å; R549-W552 WeakPolarHBondContact O-CB 3.41Å; R549-W552 PolarHBondContact O-N 2.92Å; I550-W552 PolarHBondContact O-N 3.44Å; I550-W552 VanDerWaalsContact O-N 3.16Å; W552-L558 HydrophobicContact CD2-CD2 3.79Å; W552-L558 HydrophobicContact CE3-CD2 3.68Å; W552-L558 HydrophobicContact CH2-CD2 3.92Å; W552-L558 HydrophobicContact CZ2-CD2 4Å; W552-L558 HydrophobicContact CZ3-CD2 3.74Å; W552-L558 HydrophobicContact CZ3-CG 4.49Å; W552-F559 HydrophobicContact CB-CZ 4.44Å; W552-F559 HydrophobicContact CE3-CE1 4.25Å; W552-F559 HydrophobicContact CE3-CZ 4.08Å; W552-F559 WeakPolarHBondContact O-CE2 3.42Å; W552-F559 WeakPolarHBondContact O-CZ 3.43Å; W552-L562 HydrophobicContact CH2-CD1 4.48Å; W552-L562 HydrophobicContact CZ3-CD1 3.96Å; W552-F642 HydrophobicContact CH2-CE1 4.35Å; W552-F642 AromaticContact CZ2-CE1 3.71Å; W552-F642 HydrophobicContact CZ2-CE1 3.71Å; W552-F642 HydrophobicContact CZ2-CZ 4.25Å; W552-L646 HydrophobicContact CH2-CD2 4.28Å; W552-L646 HydrophobicContact CZ2-CD1 4.28Å; W552-L646 HydrophobicContact CZ2-CD2 3.62Å; W552-M687 HydrophobicContact CB-CB 4.19Å; W552-M687 HydrophobicContact CB-CE 4.36Å; W552-M687 WeakPolarHBondContact CB-O 3.32Å; W552-M687 HydrophobicContact CD2-CB 3.59Å; W552-M687 HydrophobicContact CD2-CE 3.83Å; W552-M687 HydrophobicContact CD2-CG 4.14Å; W552-M687 HydrophobicContact CE3-CB 3.41Å; W552-M687 VanDerWaalsContact CE3-CB 3.41Å; W552-M687 HydrophobicContact CE3-CG 4.16Å; W552-M687 HydrophobicContact CG-CB 3.96Å; W552-M687 HydrophobicContact CG-CE 3.61Å; W552-M687 HydrophobicContact CZ2-CE 4.46Å; W552-M687 HydrophobicContact CZ3-CB 3.96Å; W552-M687 HydrophobicContact CZ3-CG 4.36Å; W552-R688 WeakPolarHBondContact O-CA 3.4Å; W552-D689 PolarHBondContact O-N 2.84Å
553	R	94.9	Very high	93.2	Very high	73 Å²	73	34.7 Å²	34.7	28%	0.275	19%	0.191	S	C	.	.	S	Bend	trans	-68.5	149.2	174.6	-69.8	179.3	179.7	170.9	-0.2	111.4	D495 I550 G555 S556 F559 D689	D495-R553 IonicContact OD1-NH2 2.8Å; D495-R553 IonicContact OD2-NH2 3.08Å; D495-R553 PolarHBondContact OD2-NH2 3.43Å; I550-R553 PolarHBondContact O-N 2.77Å; R553-G555 PolarHBondContact O-N 3.37Å; R553-S556 WeakPolarHBondContact O-CB 3.4Å; R553-S556 PolarHBondContact O-N 3.1Å; R553-F559 WeakPolarHBondContact O-CE2 3.46Å; R553-D689 VanDerWaalsContact CA-OD1 3.22Å; R553-D689 WeakPolarHBondContact CA-OD1 3.16Å
554	T	92.6	Very high	92.7	Very high	87 Å²	87	37.2 Å²	37.2	53%	0.534	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.4	172.4	-73.8	0	0	0	0	110.6	R688 D689	T554-R688 WeakPolarHBondContact OG1-CG 3.31Å; T554-D689 VanDerWaalsContact CB-OD2 3.31Å; T554-D689 WeakPolarHBondContact CB-OD2 3.08Å; T554-D689 PolarHBondContact N-OD1 3.09Å; T554-D689 PolarHBondContact OG1-OD2 2.97Å
555	G	89.5	Confident	92	Very high	71 Å²	71	37.6 Å²	37.6	73%	0.732	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	0.2	-172.3	0	0	0	0	0	115	R553	R553-G555 PolarHBondContact O-N 3.37Å
556	S	94.1	Very high	91.1	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.084	21%	0.21	C	C	.	.			trans	-69.2	135.8	174.4	177.7	0	0	0	0	112.5	A551 R553 L558 F559	A551-S556 WeakPolarHBondContact O-CB 3.44Å; A551-S556 PolarHBondContact O-OG 2.98Å; R553-S556 WeakPolarHBondContact O-CB 3.4Å; R553-S556 PolarHBondContact O-N 3.1Å; S556-L558 PolarHBondContact O-N 3.47Å; S556-L558 WeakPolarHBondContact OG-CB 3.48Å; S556-L558 PolarHBondContact OG-N 3.37Å; S556-F559 PolarHBondContact O-N 3.04Å
557	P	92.9	Very high	90	Very high	34 Å²	34	42.8 Å²	42.8	22%	0.221	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-17.3	172.7	-24	34	0	0	0	114.2	F559 E560 L561	P557-F559 VanDerWaalsContact C-N 3.3Å; P557-F559 PolarHBondContact O-N 2.89Å; P557-E560 PolarHBondContact O-N 2.85Å; P557-L561 PolarHBondContact O-N 3.01Å
558	L	93.9	Very high	88.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-41.5	176.5	177.3	60.7	0	0	0	112	F515 A551 W552 S556 E560 L561 L562 L639 F642	F515-L558 HydrophobicContact CD2-CB 4.17Å; F515-L558 HydrophobicContact CD2-CD1 4.1Å; F515-L558 HydrophobicContact CE2-CD1 3.76Å; F515-L558 HydrophobicContact CG-CB 4.31Å; F515-L558 HydrophobicContact CZ-CD1 4.3Å; A551-L558 HydrophobicContact CB-CD2 4.1Å; A551-L558 WeakPolarHBondContact O-CD2 3.35Å; W552-L558 HydrophobicContact CD2-CD2 3.79Å; W552-L558 HydrophobicContact CE3-CD2 3.68Å; W552-L558 HydrophobicContact CH2-CD2 3.92Å; W552-L558 HydrophobicContact CZ2-CD2 4Å; W552-L558 HydrophobicContact CZ3-CD2 3.74Å; W552-L558 HydrophobicContact CZ3-CG 4.49Å; S556-L558 PolarHBondContact O-N 3.47Å; S556-L558 WeakPolarHBondContact OG-CB 3.48Å; S556-L558 PolarHBondContact OG-N 3.37Å; L558-E560 VanDerWaalsContact C-N 3.35Å; L558-L561 PolarHBondContact O-N 3.4Å; L558-L562 HydrophobicContact CD1-CD1 4.18Å; L558-L562 HydrophobicContact CD1-CG 4.4Å; L558-L562 HydrophobicContact CG-CD1 3.98Å; L558-L562 WeakPolarHBondContact O-CB 3.38Å; L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 2.94Å; L558-L639 HydrophobicContact CD1-CD1 3.61Å; L558-F642 HydrophobicContact CD1-CD1 4.08Å; L558-F642 HydrophobicContact CD1-CE1 4.08Å; L558-F642 HydrophobicContact CD2-CD1 4.49Å; L558-F642 HydrophobicContact CD2-CE1 3.67Å; L558-F642 HydrophobicContact CD2-CZ 3.89Å
559	F	93.8	Very high	86.8	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-34.5	-179.3	-68.3	-74.1	0	0	0	112.1	W552 R553 S556 P557 L562 N563 Y684 R688	W552-F559 HydrophobicContact CB-CZ 4.44Å; W552-F559 HydrophobicContact CE3-CE1 4.25Å; W552-F559 HydrophobicContact CE3-CZ 4.08Å; W552-F559 WeakPolarHBondContact O-CE2 3.42Å; W552-F559 WeakPolarHBondContact O-CZ 3.43Å; R553-F559 WeakPolarHBondContact O-CE2 3.46Å; S556-F559 PolarHBondContact O-N 3.04Å; P557-F559 VanDerWaalsContact C-N 3.3Å; P557-F559 PolarHBondContact O-N 2.89Å; F559-L562 PolarHBondContact O-N 3.47Å; F559-N563 WeakPolarHBondContact O-CB 3.48Å; F559-N563 PolarHBondContact O-N 3.29Å; F559-N563 PolarHBondContact O-ND2 3.22Å; F559-N563 VanDerWaalsContact O-ND2 3.14Å; F559-Y684 HydrophobicContact CD1-CD2 4.18Å; F559-Y684 HydrophobicContact CD1-CE2 4.34Å; F559-Y684 HydrophobicContact CE1-CD2 4.3Å; F559-R688 VanDerWaalsContact CD1-NH2 3.35Å; F559-R688 HydrophobicContact CE1-CB 4.24Å; F559-R688 HydrophobicContact CE2-CG 4.5Å; F559-R688 HydrophobicContact CZ-CB 3.88Å; F559-R688 HydrophobicContact CZ-CG 4.13Å
560	E	89.7	Confident	84.8	Confident	125 Å²	125	47.5 Å²	47.5	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-64.1	-43.9	175.2	-62.1	-177.9	-179.8	0	0	111.1	P557 L558 N563 Q564	P557-E560 PolarHBondContact O-N 2.85Å; L558-E560 VanDerWaalsContact C-N 3.35Å; E560-N563 PolarHBondContact O-N 3.24Å; E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.32Å; E560-Q564 PolarHBondContact O-N 3.43Å
561	L	88.5	Confident	82.6	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-41.2	175.7	-72.3	171.2	0	0	0	112.5	F515 P557 L558 Q564 E565 T598	F515-L561 HydrophobicContact CD1-CD1 4.23Å; F515-L561 HydrophobicContact CE1-CD1 3.33Å; F515-L561 HydrophobicContact CZ-CD1 3.8Å; P557-L561 PolarHBondContact O-N 3.01Å; L558-L561 PolarHBondContact O-N 3.4Å; L561-Q564 PolarHBondContact O-N 2.87Å; L561-E565 PolarHBondContact O-N 3.22Å; L561-T598 HydrophobicContact CD2-CG2 3.83Å
562	L	89.7	Confident	79.9	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-44.1	176.6	-83	168.8	0	0	0	112.4	W552 L558 F559 Q564 E565 H566 L639 Y643 Y684	W552-L562 HydrophobicContact CH2-CD1 4.48Å; W552-L562 HydrophobicContact CZ3-CD1 3.96Å; L558-L562 HydrophobicContact CD1-CD1 4.18Å; L558-L562 HydrophobicContact CD1-CG 4.4Å; L558-L562 HydrophobicContact CG-CD1 3.98Å; L558-L562 WeakPolarHBondContact O-CB 3.38Å; L558-L562 WeakPolarHBondContact O-CG 3.41Å; L558-L562 PolarHBondContact O-N 2.94Å; F559-L562 PolarHBondContact O-N 3.47Å; L562-Q564 VanDerWaalsContact C-N 3.32Å; L562-Q564 PolarHBondContact O-N 2.92Å; L562-E565 PolarHBondContact O-N 3.44Å; L562-H566 WeakPolarHBondContact O-CB 3.19Å; L562-H566 PolarHBondContact O-N 2.93Å; L562-L639 HydrophobicContact CD2-CD1 4.15Å; L562-L639 HydrophobicContact CD2-CD2 4.24Å; L562-L639 HydrophobicContact CG-CD1 4.16Å; L562-Y643 HydrophobicContact CD2-CE2 3.71Å; L562-Y684 HydrophobicContact CB-CD2 4.36Å; L562-Y684 HydrophobicContact CB-CE2 4.01Å; L562-Y684 HydrophobicContact CD1-CD2 3.71Å; L562-Y684 HydrophobicContact CD1-CE2 4.2Å; L562-Y684 HydrophobicContact CD1-CG 3.91Å; L562-Y684 HydrophobicContact CD2-CD1 4.38Å; L562-Y684 HydrophobicContact CD2-CG 4.49Å
563	N	87.5	Confident	77	Confident	78 Å²	78	63.1 Å²	63.1	42%	0.417	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-39.2	176.2	-75	-29.8	0	0	0	111.7	F559 E560 H566 A567 Y684	F559-N563 WeakPolarHBondContact O-CB 3.48Å; F559-N563 PolarHBondContact O-N 3.29Å; F559-N563 PolarHBondContact O-ND2 3.22Å; F559-N563 VanDerWaalsContact O-ND2 3.14Å; E560-N563 PolarHBondContact O-N 3.24Å; N563-H566 PolarHBondContact O-N 3.4Å; N563-A567 WeakPolarHBondContact O-CB 3.38Å; N563-A567 PolarHBondContact O-N 3.35Å; N563-Y684 PolarHBondContact OD1-OH 3.37Å; N563-Y684 VanDerWaalsContact OD1-OH 3.05Å
564	Q	83.5	Confident	74.4	Confident	74 Å²	74	66.6 Å²	66.6	35%	0.346	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.8	-73.1	170.8	23.8	0	0	111.9	E560 L561 L562 A567 S568	E560-Q564 VanDerWaalsContact O-CG 3.23Å; E560-Q564 WeakPolarHBondContact O-CG 3.32Å; E560-Q564 PolarHBondContact O-N 3.43Å; L561-Q564 PolarHBondContact O-N 2.87Å; L562-Q564 VanDerWaalsContact C-N 3.32Å; L562-Q564 PolarHBondContact O-N 2.92Å; Q564-A567 PolarHBondContact O-N 3.07Å; Q564-S568 PolarHBondContact O-N 3.44Å; Q564-S568 VanDerWaalsContact O-N 3.07Å; Q564-S568 PolarHBondContact O-OG 3.48Å
565	E	79.8	Confident	71.4	Confident	56 Å²	56	70.8 Å²	70.8	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-38.9	176.8	-76.4	-142	163.6	0	0	112.6	L561 L562 S568 A569 S636 L639	L561-E565 PolarHBondContact O-N 3.22Å; L562-E565 PolarHBondContact O-N 3.44Å; E565-S568 PolarHBondContact O-N 2.92Å; E565-A569 WeakPolarHBondContact O-CB 3.36Å; E565-A569 PolarHBondContact O-N 3.46Å; E565-S636 PolarHBondContact OE1-N 3.28Å; E565-S636 VanDerWaalsContact OE1-N 3.08Å; E565-L639 HydrophobicContact CB-CD2 4.3Å; E565-L639 HydrophobicContact CG-CD2 3.73Å
566	H	74.3	Confident	68.8	Low	77 Å²	77	71.8 Å²	71.8	36%	0.356	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-39.8	176.6	-98.4	-83.5	0	0	0	113	L562 N563 S568 A569 A570 Y684	L562-H566 WeakPolarHBondContact O-CB 3.19Å; L562-H566 PolarHBondContact O-N 2.93Å; N563-H566 PolarHBondContact O-N 3.4Å; H566-S568 VanDerWaalsContact C-N 3.33Å; H566-A569 PolarHBondContact O-N 3.07Å; H566-A570 PolarHBondContact O-N 3.25Å; H566-Y684 AromaticContact CD2-CE1 3.42Å; H566-Y684 VanDerWaalsContact CD2-CE1 3.42Å; H566-Y684 WeakPolarHBondContact CD2-CE1 3.34Å; H566-Y684 AromaticContact NE2-CE1 3.45Å; H566-Y684 WeakPolarHBondContact NE2-CE1 3.3Å
567	A	72.9	Confident	66.3	Low	70 Å²	70	74.9 Å²	74.9	58%	0.579	45%	0.449	S	S	*	.	H	α-helix	trans	-63.8	-39.6	175	0	0	0	0	0	111.6	N563 Q564	N563-A567 WeakPolarHBondContact O-CB 3.38Å; N563-A567 PolarHBondContact O-N 3.35Å; Q564-A567 PolarHBondContact O-N 3.07Å
568	S	63.8	Low	63.6	Low	47 Å²	47	75.8 Å²	75.8	33%	0.329	46%	0.459	S	S	.	.	H	α-helix	trans	-70.4	-32.8	175.4	-66.8	0	0	0	0	113.2	Q564 E565 H566 A570 A571 Q633	Q564-S568 PolarHBondContact O-N 3.44Å; Q564-S568 VanDerWaalsContact O-N 3.07Å; Q564-S568 PolarHBondContact O-OG 3.48Å; E565-S568 PolarHBondContact O-N 2.92Å; H566-S568 VanDerWaalsContact C-N 3.33Å; S568-A570 VanDerWaalsContact C-N 3.34Å; S568-A571 PolarHBondContact O-N 3.38Å; S568-Q633 PolarHBondContact OG-OE1 3.13Å
569	A	58.9	Low	61.2	Low	61 Å²	61	78.1 Å²	78.1	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-72.7	-22.6	177.2	0	0	0	0	0	113.7	E565 H566 A571	E565-A569 WeakPolarHBondContact O-CB 3.36Å; E565-A569 PolarHBondContact O-N 3.46Å; H566-A569 PolarHBondContact O-N 3.07Å; A569-A571 PolarHBondContact O-N 3.39Å
570	A	53.6	Low	59.1	Low	91 Å²	91	79.8 Å²	79.8	75%	0.752	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.2	175.7	0	0	0	0	0	113.7	H566 S568	H566-A570 PolarHBondContact O-N 3.25Å; S568-A570 VanDerWaalsContact C-N 3.34Å
571	A	46.8	Very low	56.8	Low	81 Å²	81	76.6 Å²	76.6	67%	0.669	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-4.8	-176.5	0	0	0	0	0	114.7	S568 A569	S568-A571 PolarHBondContact O-N 3.38Å; A569-A571 PolarHBondContact O-N 3.39Å
572	E	40.3	Very low	54.7	Low	147 Å²	147	82.5 Å²	82.5	69%	0.687	50%	0.501	S	S	*	.	S	Bend	trans	-138.5	151.6	-177.1	-78	-78.9	153.1	0	0	111	V574	E572-V574 PolarHBondContact O-N 3.16Å
573	P	36.8	Very low	52.5	Low	114 Å²	114	86.1 Å²	86.1	74%	0.74	53%	0.525	S	S	*	.			trans	-62.3	136.9	178.6	-15.3	28.4	0	0	0	112.1	E575	P573-E575 PolarHBondContact O-N 3Å
574	V	39.2	Very low	50.5	Low	146 Å²	146	84.5 Å²	84.5	89%	0.885	52%	0.516	S	S	*	.			trans	-55	105.5	-178.2	178.7	0	0	0	0	112	E572	E572-V574 PolarHBondContact O-N 3.16Å
575	E	30.5	Very low	48.6	Very low	176 Å²	176	88.1 Å²	88.1	82%	0.822	53%	0.533	S	S	*	.			trans	-85	148.2	161.6	-88	-168.8	165.1	0	0	112	P573	P573-E575 PolarHBondContact O-N 3Å
576	S	34.3	Very low	47.2	Very low	91 Å²	91	90.8 Å²	90.8	64%	0.636	55%	0.546	S	S	*	.			trans	-52.1	146.3	-170.7	-167.9	0	0	0	0	114.9	A578	S576-A578 PolarHBondContact O-N 3.43Å
577	P	41.3	Very low	46.3	Very low	78 Å²	78	90.5 Å²	90.5	51%	0.506	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-60.1	9	179.2	23.2	-34.4	0	0	0	116.1	S579	P577-S579 PolarHBondContact O-N 3.45Å; P577-S579 VanDerWaalsContact O-N 3.17Å
578	A	35.7	Very low	46.3	Very low	52 Å²	52	90.1 Å²	90.1	43%	0.43	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17	-179.1	0	0	0	0	0	114.6	S576 F580 S581	S576-A578 PolarHBondContact O-N 3.43Å; A578-F580 VanDerWaalsContact C-N 3.33Å; A578-F580 PolarHBondContact O-N 3.26Å; A578-S581 WeakPolarHBondContact CA-OG 3.41Å; A578-S581 PolarHBondContact O-N 2.69Å; A578-S581 VanDerWaalsContact O-N 3.15Å; A578-S581 PolarHBondContact O-OG 2.95Å
579	S	45	Very low	47.5	Very low	49 Å²	49	89.2 Å²	89.2	34%	0.343	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-59.1	-36	-177.9	-169	0	0	0	0	114	P577 K635	P577-S579 PolarHBondContact O-N 3.45Å; P577-S579 VanDerWaalsContact O-N 3.17Å; S579-K635 PolarHBondContact OG-NZ 3.25Å
580	F	48.8	Very low	48.9	Very low	44 Å²	44	86.3 Å²	86.3	19%	0.193	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-89.2	-5	-179.1	-61	-77.5	0	0	0	113.5	A578 Y643 Y647	A578-F580 VanDerWaalsContact C-N 3.33Å; A578-F580 PolarHBondContact O-N 3.26Å; F580-Y643 HydrophobicContact CE1-CG 4.41Å; F580-Y647 HydrophobicContact CB-CE2 4.15Å; F580-Y647 HydrophobicContact CG-CE2 4.37Å
581	S	42.5	Very low	50.6	Low	58 Å²	58	82.1 Å²	82.1	41%	0.406	47%	0.473	S	S	.	.			trans	-96.1	-3.8	-171.6	71.4	0	0	0	0	114.7	A578	A578-S581 WeakPolarHBondContact CA-OG 3.41Å; A578-S581 PolarHBondContact O-N 2.69Å; A578-S581 VanDerWaalsContact O-N 3.15Å; A578-S581 PolarHBondContact O-OG 2.95Å
582	Q	43.1	Very low	52.6	Low	135 Å²	135	80 Å²	80	63%	0.631	45%	0.45	S	S	*	.	S	Bend	trans	-66.8	146.9	177.5	-70.6	-172.8	-9.6	0	0	111.5	K644	Q582-K644 WeakPolarHBondContact O-CE 3.46Å; Q582-K644 PolarHBondContact O-NZ 2.85Å
583	P	44.2	Very low	55	Low	83 Å²	83	73.4 Å²	73.4	54%	0.539	42%	0.419	S	S	.	.			trans	-52.3	151.3	174.3	-23.2	32	0	0	0	111.8	Q585 K644	P583-Q585 PolarHBondContact O-N 3.14Å; P583-K644 PolarHBondContact O-NZ 3.17Å
584	L	45.6	Very low	57.6	Low	44 Å²	44	69 Å²	69	23%	0.23	39%	0.388	C	S	.	.			trans	-59.8	87.4	168	-90.8	159.4	0	0	0	108.2	H586 L641 K644 P778	L584-H586 PolarHBondContact O-N 3.39Å; L584-H586 VanDerWaalsContact O-N 3.15Å; L584-H586 PolarHBondContact O-ND1 3.05Å; L584-L641 HydrophobicContact CD2-CD1 3.93Å; L584-K644 VanDerWaalsContact CA-NZ 3.28Å; L584-K644 HydrophobicContact CD2-CD 3.91Å; L584-K644 HydrophobicContact CG-CD 3.95Å; L584-K644 VanDerWaalsContact N-NZ 3.19Å; L584-P778 HydrophobicContact CB-CG 4.41Å; L584-P778 HydrophobicContact CD1-CG 3.56Å; L584-P778 HydrophobicContact CG-CG 4.48Å
585	Q	43.8	Very low	59.8	Low	150 Å²	150	65.9 Å²	65.9	70%	0.701	37%	0.366	S	S	*	.			trans	-64.3	112.2	154.3	-65.6	-143.9	1.6	0	0	104.6	P583 S587	P583-Q585 PolarHBondContact O-N 3.14Å; Q585-S587 PolarHBondContact O-N 3.3Å
586	H	50	Low	62.1	Low	113 Å²	113	58.4 Å²	58.4	52%	0.523	33%	0.332	S	S	.	.	S	Bend	trans	-71.2	38	-173.9	-76.9	61.3	0	0	0	112	L584	L584-H586 PolarHBondContact O-N 3.39Å; L584-H586 VanDerWaalsContact O-N 3.15Å; L584-H586 PolarHBondContact O-ND1 3.05Å
587	S	55.4	Low	63.2	Low	70 Å²	70	59.2 Å²	59.2	49%	0.49	34%	0.336	S	S	.	.			trans	-101.6	-0.2	-164.2	-164.1	0	0	0	0	114.3	Q585 D592	Q585-S587 PolarHBondContact O-N 3.3Å; S587-D592 VanDerWaalsContact O-OD2 3.11Å
588	H	73.3	Confident	63.5	Low	62 Å²	62	60 Å²	60	29%	0.287	34%	0.339	S	S	.	.			trans	-98.2	113.2	178.4	-57.7	-57.2	0	0	0	110.1	D592 L593 L641	H588-D592 WeakPolarHBondContact CA-OD2 3.21Å; H588-L593 HydrophobicContact CB-CD2 4.35Å; H588-L641 HydrophobicContact CB-CD2 4.23Å
589	T	87.8	Confident	64	Low	28 Å²	28	66.7 Å²	66.7	17%	0.172	35%	0.353	C	S	.	.			trans	-90.4	165	170.2	74.9	0	0	0	0	109.9	E450 A591 D592 L593	E450-T589 WeakPolarHBondContact OE1-CB 3.49Å; E450-T589 WeakPolarHBondContact OE1-CG2 3.49Å; E450-T589 PolarHBondContact OE1-OG1 3.02Å; T589-A591 PolarHBondContact O-N 3.29Å; T589-A591 PolarHBondContact OG1-N 2.73Å; T589-D592 PolarHBondContact N-OD2 3.32Å; T589-D592 WeakPolarHBondContact O-CB 3.46Å; T589-D592 PolarHBondContact O-N 3.06Å; T589-D592 PolarHBondContact OG1-OD2 3.07Å; T589-L593 WeakPolarHBondContact O-CG 3.23Å; T589-L593 PolarHBondContact O-N 3.05Å
590	A	88.7	Confident	63.5	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-54.2	-37.8	174	0	0	0	0	0	111	M446 V520 S523 D592 L593 Y594	M446-A590 HydrophobicContact CE-CB 3.7Å; V520-A590 HydrophobicContact CG2-CB 4.47Å; S523-A590 WeakPolarHBondContact OG-CB 3.37Å; S523-A590 PolarHBondContact OG-N 3.36Å; A590-D592 VanDerWaalsContact C-N 3.32Å; A590-D592 PolarHBondContact O-N 2.78Å; A590-L593 WeakPolarHBondContact O-CB 3.16Å; A590-L593 PolarHBondContact O-N 3.21Å; A590-Y594 HydrophobicContact CB-CD2 4.29Å; A590-Y594 HydrophobicContact CB-CE2 4.21Å; A590-Y594 WeakPolarHBondContact O-CD2 3.37Å; A590-Y594 PolarHBondContact O-N 3.21Å
591	A	89.1	Confident	62.8	Low	4 Å²	4	71.4 Å²	71.4	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-56.3	-45.7	175.6	0	0	0	0	0	111.7	E450 L462 T589 L593 Y594 L595	E450-A591 HydrophobicContact CG-CB 4.24Å; L462-A591 HydrophobicContact CD1-CB 4.29Å; L462-A591 HydrophobicContact CD2-CB 3.72Å; T589-A591 PolarHBondContact O-N 3.29Å; T589-A591 PolarHBondContact OG1-N 2.73Å; A591-L593 VanDerWaalsContact C-N 3.26Å; A591-L593 PolarHBondContact O-N 3.37Å; A591-Y594 PolarHBondContact O-N 3.4Å; A591-L595 VanDerWaalsContact O-CB 3.23Å; A591-L595 WeakPolarHBondContact O-CB 3.4Å; A591-L595 WeakPolarHBondContact O-CG 3.37Å; A591-L595 PolarHBondContact O-N 2.63Å
592	D	88.9	Confident	62.3	Low	35 Å²	35	74.5 Å²	74.5	19%	0.187	42%	0.421	C	S	.	.	H	α-helix	trans	-62.1	-35	177.4	-56.4	-39.5	0	0	0	112	R453 S587 H588 T589 A590 T596	R453-D592 IonicContact CZ-OD1 3.45Å; R453-D592 IonicContact CZ-OD2 3.84Å; R453-D592 IonicContact NH1-OD1 3.25Å; R453-D592 PolarHBondContact NH1-OD1 3.36Å; R453-D592 IonicContact NH1-OD2 3.46Å; R453-D592 PolarHBondContact NH1-OD2 2.96Å; R453-D592 IonicContact NH2-OD1 2.82Å; R453-D592 PolarHBondContact NH2-OD1 3.43Å; R453-D592 IonicContact NH2-OD2 3.79Å; S587-D592 VanDerWaalsContact O-OD2 3.11Å; H588-D592 WeakPolarHBondContact CA-OD2 3.21Å; T589-D592 PolarHBondContact N-OD2 3.32Å; T589-D592 WeakPolarHBondContact O-CB 3.46Å; T589-D592 PolarHBondContact O-N 3.06Å; T589-D592 PolarHBondContact OG1-OD2 3.07Å; A590-D592 VanDerWaalsContact C-N 3.32Å; A590-D592 PolarHBondContact O-N 2.78Å; D592-T596 PolarHBondContact O-N 3.46Å; D592-T596 PolarHBondContact O-OG1 2.94Å
593	L	90.9	Very high	61.6	Low	10 Å²	10	79 Å²	79	5%	0.052	43%	0.432	C	S	.	.	H	α-helix	trans	-73.8	-40.8	-179.3	-57.9	177.9	0	0	0	112.9	K519 H588 T589 A590 A591 T596 L641	K519-L593 HydrophobicContact CB-CB 4.05Å; K519-L593 HydrophobicContact CB-CD1 3.9Å; K519-L593 HydrophobicContact CD-CB 4.3Å; K519-L593 HydrophobicContact CG-CB 4.14Å; K519-L593 HydrophobicContact CG-CD1 4.26Å; K519-L593 WeakPolarHBondContact O-CD1 3.46Å; H588-L593 HydrophobicContact CB-CD2 4.35Å; T589-L593 WeakPolarHBondContact O-CG 3.23Å; T589-L593 PolarHBondContact O-N 3.05Å; A590-L593 WeakPolarHBondContact O-CB 3.16Å; A590-L593 PolarHBondContact O-N 3.21Å; A591-L593 VanDerWaalsContact C-N 3.26Å; A591-L593 PolarHBondContact O-N 3.37Å; L593-T596 PolarHBondContact O-OG1 3.02Å; L593-L641 HydrophobicContact CD1-CD2 3.99Å; L593-L641 HydrophobicContact CD2-CD2 3.96Å
594	Y	90.8	Very high	61.1	Low	20 Å²	20	81.9 Å²	81.9	8%	0.078	45%	0.448	C	S	.	.	H	α-helix	trans	-77	-29.9	177.9	-73.3	-75.2	0	0	0	112.7	T467 F468 S471 D516 K519 V520 A590 A591 T596	T467-Y594 HydrophobicContact CG2-CD1 4.45Å; T467-Y594 HydrophobicContact CG2-CE1 3.95Å; F468-Y594 HydrophobicContact CB-CD1 4.09Å; F468-Y594 HydrophobicContact CB-CD2 4.13Å; F468-Y594 HydrophobicContact CB-CE1 4.42Å; F468-Y594 HydrophobicContact CB-CE2 4.49Å; F468-Y594 HydrophobicContact CB-CG 3.95Å; F468-Y594 AromaticContact CD2-CD2 3.65Å; F468-Y594 HydrophobicContact CD2-CD2 3.65Å; F468-Y594 AromaticContact CD2-CE2 3.83Å; F468-Y594 HydrophobicContact CD2-CE2 3.83Å; F468-Y594 HydrophobicContact CD2-CG 4.31Å; F468-Y594 HydrophobicContact CG-CD2 4.35Å; S471-Y594 WeakPolarHBondContact CB-OH 3.4Å; S471-Y594 PolarHBondContact OG-OH 2.99Å; D516-Y594 PolarHBondContact O-OH 3.48Å; K519-Y594 HydrophobicContact CB-CE1 4.44Å; K519-Y594 HydrophobicContact CB-CE2 3.85Å; K519-Y594 HydrophobicContact CD-CD1 4.43Å; K519-Y594 HydrophobicContact CD-CE1 4.14Å; V520-Y594 HydrophobicContact CB-CE2 4.34Å; A590-Y594 HydrophobicContact CB-CD2 4.29Å; A590-Y594 HydrophobicContact CB-CE2 4.21Å; A590-Y594 WeakPolarHBondContact O-CD2 3.37Å; A590-Y594 PolarHBondContact O-N 3.21Å; A591-Y594 PolarHBondContact O-N 3.4Å; Y594-T596 VanDerWaalsContact C-N 3.29Å; Y594-T596 PolarHBondContact O-N 2.85Å
595	L	87.3	Confident	60.5	Low	81 Å²	81	87 Å²	87	42%	0.424	48%	0.475	S	S	.	.	S	Bend	trans	-84.9	0.2	178.2	-63.2	175.8	0	0	0	113.6	K461 L462 A591	K461-L595 HydrophobicContact CB-CD2 3.57Å; L462-L595 HydrophobicContact CB-CD1 4.43Å; L462-L595 HydrophobicContact CB-CD2 4.28Å; A591-L595 VanDerWaalsContact O-CB 3.23Å; A591-L595 WeakPolarHBondContact O-CB 3.4Å; A591-L595 WeakPolarHBondContact O-CG 3.37Å; A591-L595 PolarHBondContact O-N 2.63Å
596	T	77	Confident	60	Low	19 Å²	19	85.1 Å²	85.1	12%	0.117	48%	0.476	C	S	.	.	S	Bend	trans	-64.3	125.2	176.9	-60.3	0	0	0	0	109.3	D592 L593 Y594 T598	D592-T596 PolarHBondContact O-N 3.46Å; D592-T596 PolarHBondContact O-OG1 2.94Å; L593-T596 PolarHBondContact O-OG1 3.02Å; Y594-T596 VanDerWaalsContact C-N 3.29Å; Y594-T596 PolarHBondContact O-N 2.85Å; T596-T598 PolarHBondContact O-N 2.87Å
597	P	57.3	Low	59.5	Low	109 Å²	109	85.2 Å²	85.2	71%	0.708	49%	0.486	S	S	*	.			trans	-61.8	111.9	-176.5	-19.1	29.3	0	0	0	111.5
598	T	48.9	Very low	58.4	Low	93 Å²	93	89.4 Å²	89.4	57%	0.571	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-93.3	116.5	162.5	31.5	0	0	0	0	107.1	L561 T596 P600	L561-T598 HydrophobicContact CD2-CG2 3.83Å; T596-T598 PolarHBondContact O-N 2.87Å; T598-P600 WeakPolarHBondContact O-CD 3.27Å
599	R	45	Very low	56.3	Low	193 Å²	193	92.1 Å²	92.1	73%	0.728	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-71.6	124.7	172.2	-75.3	-173.8	179.1	-178.8	1	107.7	G601	R599-G601 PolarHBondContact O-N 2.68Å
600	P	36.1	Very low	54.2	Low	124 Å²	124	96 Å²	96	81%	0.805	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-61.9	133.8	169.3	-16.4	29.4	0	0	0	109	T598	T598-P600 WeakPolarHBondContact O-CD 3.27Å
601	G	33.9	Very low	51.2	Low	69 Å²	69	102.3 Å²	102.3	71%	0.711	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-52.2	148.3	173	0	0	0	0	0	112	R599 R603	R599-G601 PolarHBondContact O-N 2.68Å; G601-R603 PolarHBondContact O-N 3.5Å
602	S	30.6	Very low	48.4	Very low	122 Å²	122	108.3 Å²	108.3	85%	0.853	63%	0.63	S	S	*	*			trans	-42.3	125.6	178.5	-157	0	0	0	0	111.9	V604	S602-V604 PolarHBondContact O-N 2.89Å
603	R	29.8	Very low	45.8	Very low	231 Å²	231	112 Å²	112	87%	0.872	66%	0.656	S	S	*	*			trans	-56	121.8	171.1	-73.3	-179.8	-178.8	175.6	-0	108.7	G601 L605	G601-R603 PolarHBondContact O-N 3.5Å; R603-L605 PolarHBondContact O-N 3.22Å; R603-L605 VanDerWaalsContact O-N 3.16Å
604	V	32.8	Very low	43.1	Very low	142 Å²	142	117.7 Å²	117.7	86%	0.861	69%	0.693	S	S	*	*			trans	-61.8	111.6	161.4	176.8	0	0	0	0	106.8	S602	S602-V604 PolarHBondContact O-N 2.89Å
605	L	33.5	Very low	40	Very low	152 Å²	152	128.5 Å²	128.5	80%	0.796	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-73.7	141.7	168.8	-78.1	161.9	0	0	0	109.2	R603	R603-L605 PolarHBondContact O-N 3.22Å; R603-L605 VanDerWaalsContact O-N 3.16Å
606	P	32.7	Very low	37.5	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-77	160.2	175.8	31.5	-31.6	0	0	0	112
607	P	40.4	Very low	35.5	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-84.8	145.2	-169.5	33.7	-32.8	0	0	0	114.3
608	D	31.9	Very low	34.1	Very low	157 Å²	157	138.2 Å²	138.2	84%	0.84	79%	0.794	S	S	*	*			trans	54.9	124.2	151.7	-63.8	-22.8	0	0	0	123
609	S	28.6	Very low	33.3	Very low	120 Å²	120	138.7 Å²	138.7	84%	0.839	81%	0.807	S	S	*	*				-157.1	151.1	119.5	-1.8	0	0	0	0	112.3
610	P	43.8	Very low	32.6	Very low	109 Å²	109	134.7 Å²	134.7	71%	0.708	81%	0.809	S	S	*	*			trans	-104.2	152.2	-164.5	37.9	-30.1	0	0	0	113.8
611	T	27	Very low	32.4	Very low	132 Å²	132	137.4 Å²	137.4	81%	0.81	81%	0.811	S	S	*	*				162.5	140.1	124.3	34	0	0	0	0	115
612	T	28.4	Very low	32	Very low	130 Å²	130	139.3 Å²	139.3	80%	0.798	81%	0.813	S	S	*	*			trans	86	150.3	154.4	18.6	0	0	0	0	121
613	P	35.1	Very low	31.8	Very low	114 Å²	114	140 Å²	140	74%	0.74	81%	0.813	S	S	*	*				-117.8	-178.3	-111.4	40.7	-23.1	0	0	0	113.7
614	P	33.2	Very low	31.9	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	81%	0.814	S	S	*	*			trans	-87.8	141	-154.3	34.9	-32	0	0	0	113.6
615	R	27.3	Very low	31.7	Very low	248 Å²	248	137.3 Å²	137.3	94%	0.936	82%	0.815	S	S	*	*			trans	-106.8	117	162.1	-113.1	178.7	176	176.3	-1.4	108.9
616	Q	35	Very low	31.4	Very low	191 Å²	191	134.1 Å²	134.1	89%	0.893	81%	0.81	S	S	*	*			trans	-59.5	149	168.6	-66.3	173.3	-30.9	0	0	110.8
617	P	34	Very low	31.3	Very low	124 Å²	124	134.8 Å²	134.8	81%	0.805	81%	0.814	S	S	*	*			trans	-107.2	134.4	148.1	4.3	15.8	0	0	0	110.7
618	A	28.2	Very low	30.5	Very low	97 Å²	97	135.3 Å²	135.3	80%	0.802	82%	0.819	S	S	*	*			trans	-62.6	155.5	172.8	0	0	0	0	0	112.4
619	A	32.3	Very low	30.5	Very low	104 Å²	104	137 Å²	137	86%	0.86	82%	0.822	S	S	*	*			trans	-64.3	134.3	172.3	0	0	0	0	0	112.3
620	S	30.8	Very low	30.6	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	82%	0.815	S	S	*	*			trans	-156.8	98.8	154	56.1	0	0	0	0	111.1
621	Q	30.9	Very low	30.3	Very low	181 Å²	181	135.8 Å²	135.8	85%	0.846	82%	0.819	S	S	*	*			trans	35.7	110.2	135.1	-65.2	177.1	-2.4	0	0	120
622	S	25.3	Very low	30.8	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	82%	0.824	S	S	*	*				27.6	110.3	128.2	58.4	0	0	0	0	119.2
623	T	26.4	Very low	31.6	Very low	138 Å²	138	140.7 Å²	140.7	85%	0.847	81%	0.813	S	S	*	*			trans	-133.7	129.7	139.4	22.1	0	0	0	0	109.6	Q625	T623-Q625 PolarHBondContact O-N 3.2Å
624	S	31.9	Very low	32.3	Very low	128 Å²	128	140.8 Å²	140.8	90%	0.895	81%	0.814	S	S	*	*			trans	-63.2	118.8	-176.1	-37.5	0	0	0	0	111.2
625	Q	29.6	Very low	33.7	Very low	188 Å²	188	140.6 Å²	140.6	88%	0.879	80%	0.8	S	S	*	*			trans	-121.2	132.1	163.4	-75.9	-172.8	-11.2	0	0	109.2	T623	T623-Q625 PolarHBondContact O-N 3.2Å
626	A	27	Very low	36.2	Very low	84 Å²	84	129.5 Å²	129.5	69%	0.694	76%	0.76	S	S	*	*			trans	-52.7	148.3	175	0	0	0	0	0	111.1	C628	A626-C628 PolarHBondContact O-N 3.45Å
627	P	29.8	Very low	38.5	Very low	125 Å²	125	123.5 Å²	123.5	81%	0.812	73%	0.734	S	S	*	*			trans	-66.8	107.2	177.6	26.8	-30.2	0	0	0	109	Q629	P627-Q629 PolarHBondContact O-N 3.08Å; P627-Q629 VanDerWaalsContact O-N 3.08Å
628	C	24	Very low	41.1	Very low	126 Å²	126	117.9 Å²	117.9	85%	0.851	70%	0.698	S	S	*	*			trans	-54.2	113.1	162.4	-81.2	0	0	0	0	108.1	A626 A630	A626-C628 PolarHBondContact O-N 3.45Å; C628-A630 PolarHBondContact O-N 3.49Å
629	Q	32.1	Very low	44	Very low	192 Å²	192	113.3 Å²	113.3	90%	0.897	66%	0.66	S	S	*	*			trans	-58.5	113	167.4	-68.7	-179.4	-0.5	0	0	107.8	P627	P627-Q629 PolarHBondContact O-N 3.08Å; P627-Q629 VanDerWaalsContact O-N 3.08Å
630	A	31.4	Very low	46.6	Very low	85 Å²	85	109.9 Å²	109.9	70%	0.702	63%	0.629	S	S	*	*			trans	-59.5	138.6	167.8	0	0	0	0	0	108.4	C628 R632	C628-A630 PolarHBondContact O-N 3.49Å; A630-R632 PolarHBondContact O-N 2.8Å
631	P	36	Very low	49.3	Very low	120 Å²	120	105.3 Å²	105.3	78%	0.779	60%	0.596	S	S	*	*			trans	-59.9	126.6	179.4	21.7	-30.3	0	0	0	110	Q633	P631-Q633 PolarHBondContact O-N 2.82Å
632	R	38.9	Very low	52.3	Low	243 Å²	243	96.7 Å²	96.7	92%	0.917	56%	0.556	S	S	*	*			trans	-42.4	125.6	175.4	-74.4	177.2	175.8	153.6	-0.9	110.1	A630 P634	A630-R632 PolarHBondContact O-N 2.8Å; R632-P634 WeakPolarHBondContact O-CD 3.41Å
633	Q	43.7	Very low	55.4	Low	121 Å²	121	91.8 Å²	91.8	57%	0.565	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-67.4	123.5	177.3	-63.6	-161.4	3.3	0	0	109.8	S568 P631 K635	S568-Q633 PolarHBondContact OG-OE1 3.13Å; P631-Q633 PolarHBondContact O-N 2.82Å; Q633-K635 PolarHBondContact O-N 3.43Å
634	P	50.6	Low	58.4	Low	117 Å²	117	87.6 Å²	87.6	76%	0.76	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-70.8	123.9	178.4	25.2	-29.7	0	0	0	110.2	R632	R632-P634 WeakPolarHBondContact O-CD 3.41Å
635	K	63.2	Low	61.3	Low	123 Å²	123	83 Å²	83	54%	0.535	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.9	148.6	172.6	-68.4	174.7	175.8	172.9	0	110.7	S579 Q633 N637	S579-K635 PolarHBondContact OG-NZ 3.25Å; Q633-K635 PolarHBondContact O-N 3.43Å; K635-N637 PolarHBondContact O-N 3.11Å
636	S	78.6	Confident	64.4	Low	15 Å²	15	74.1 Å²	74.1	11%	0.105	41%	0.413	C	S	.	.			trans	-71.6	114.9	179	176.2	0	0	0	0	110.9	E565 S638 L639 S640	E565-S636 PolarHBondContact OE1-N 3.28Å; E565-S636 VanDerWaalsContact OE1-N 3.08Å; S636-S638 PolarHBondContact O-N 3.4Å; S636-S638 PolarHBondContact OG-OG 2.75Å; S636-L639 PolarHBondContact O-N 3.25Å; S636-L639 PolarHBondContact OG-N 3.14Å; S636-S640 PolarHBondContact O-N 3.46Å; S636-S640 PolarHBondContact O-OG 3.08Å
637	N	83.4	Confident	67.7	Low	65 Å²	65	70.6 Å²	70.6	35%	0.348	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-35.7	174.6	-72.7	-26.7	0	0	0	111.6	K635 S640 L641	K635-N637 PolarHBondContact O-N 3.11Å; N637-S640 WeakPolarHBondContact CA-OG 3.05Å; N637-S640 PolarHBondContact O-OG 3.33Å; N637-L641 WeakPolarHBondContact O-CB 3.41Å; N637-L641 PolarHBondContact O-N 2.81Å
638	S	88.1	Confident	70.6	Confident	6 Å²	6	67.4 Å²	67.4	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-43.1	177.9	66.6	0	0	0	0	113.2	S636 F642	S636-S638 PolarHBondContact O-N 3.4Å; S636-S638 PolarHBondContact OG-OG 2.75Å; S638-F642 VanDerWaalsContact O-CB 3.3Å; S638-F642 WeakPolarHBondContact O-CB 3.49Å; S638-F642 PolarHBondContact O-N 3.15Å
639	L	89.4	Confident	73.9	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-67.9	-43.3	178.2	-173.1	62.2	0	0	0	111.5	L558 L562 E565 S636 F642 Y643	L558-L639 HydrophobicContact CD1-CD1 3.61Å; L562-L639 HydrophobicContact CD2-CD1 4.15Å; L562-L639 HydrophobicContact CD2-CD2 4.24Å; L562-L639 HydrophobicContact CG-CD1 4.16Å; E565-L639 HydrophobicContact CB-CD2 4.3Å; E565-L639 HydrophobicContact CG-CD2 3.73Å; S636-L639 PolarHBondContact O-N 3.25Å; S636-L639 PolarHBondContact OG-N 3.14Å; L639-F642 PolarHBondContact O-N 3.09Å; L639-Y643 HydrophobicContact CD1-CD2 3.83Å; L639-Y643 HydrophobicContact CD1-CE2 3.79Å; L639-Y643 HydrophobicContact CG-CD2 4.13Å; L639-Y643 HydrophobicContact CG-CE2 4.38Å; L639-Y643 PolarHBondContact O-N 2.95Å
640	S	87.4	Confident	76.9	Confident	31 Å²	31	53.3 Å²	53.3	22%	0.217	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-42.4	178.9	59	0	0	0	0	113.1	S636 N637 K644	S636-S640 PolarHBondContact O-N 3.46Å; S636-S640 PolarHBondContact O-OG 3.08Å; N637-S640 WeakPolarHBondContact CA-OG 3.05Å; N637-S640 PolarHBondContact O-OG 3.33Å; S640-K644 WeakPolarHBondContact O-CB 3.46Å; S640-K644 PolarHBondContact O-N 3.36Å; S640-K644 VanDerWaalsContact O-N 3.12Å
641	L	88.1	Confident	80	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-42	174.2	-176.7	61.4	0	0	0	111.6	L584 H588 L593 N637 K644 K645	L584-L641 HydrophobicContact CD2-CD1 3.93Å; H588-L641 HydrophobicContact CB-CD2 4.23Å; L593-L641 HydrophobicContact CD1-CD2 3.99Å; L593-L641 HydrophobicContact CD2-CD2 3.96Å; N637-L641 WeakPolarHBondContact O-CB 3.41Å; N637-L641 PolarHBondContact O-N 2.81Å; L641-K644 PolarHBondContact O-N 3.23Å; L641-K645 PolarHBondContact O-N 3.44Å; L641-K645 VanDerWaalsContact O-N 3.12Å
642	F	92.6	Very high	82.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-52.9	176.8	-179.4	-95.4	0	0	0	111.9	F515 Y518 M547 A551 W552 L558 S638 L639 K644 K645 L646	F515-F642 AromaticContact CD2-CD2 3.95Å; F515-F642 HydrophobicContact CD2-CD2 3.95Å; F515-F642 HydrophobicContact CD2-CE2 4.09Å; F515-F642 HydrophobicContact CD2-CG 4.38Å; F515-F642 HydrophobicContact CE2-CB 3.94Å; F515-F642 HydrophobicContact CE2-CD1 4.3Å; F515-F642 AromaticContact CE2-CD2 3.68Å; F515-F642 HydrophobicContact CE2-CD2 3.68Å; F515-F642 HydrophobicContact CE2-CE2 4.24Å; F515-F642 AromaticContact CE2-CG 3.72Å; F515-F642 HydrophobicContact CE2-CG 3.72Å; Y518-F642 HydrophobicContact CD1-CD2 4.02Å; Y518-F642 HydrophobicContact CE1-CB 4.18Å; Y518-F642 AromaticContact CE1-CD2 3.82Å; Y518-F642 HydrophobicContact CE1-CD2 3.82Å; Y518-F642 HydrophobicContact CE2-CD2 4.4Å; Y518-F642 HydrophobicContact CG-CD2 4.41Å; M547-F642 HydrophobicContact CG-CD2 4.4Å; M547-F642 HydrophobicContact CG-CE2 3.9Å; M547-F642 HydrophobicContact CG-CZ 4.46Å; A551-F642 HydrophobicContact CB-CE2 3.99Å; A551-F642 HydrophobicContact CB-CZ 3.82Å; W552-F642 HydrophobicContact CH2-CE1 4.35Å; W552-F642 AromaticContact CZ2-CE1 3.71Å; W552-F642 HydrophobicContact CZ2-CE1 3.71Å; W552-F642 HydrophobicContact CZ2-CZ 4.25Å; L558-F642 HydrophobicContact CD1-CD1 4.08Å; L558-F642 HydrophobicContact CD1-CE1 4.08Å; L558-F642 HydrophobicContact CD2-CD1 4.49Å; L558-F642 HydrophobicContact CD2-CE1 3.67Å; L558-F642 HydrophobicContact CD2-CZ 3.89Å; S638-F642 VanDerWaalsContact O-CB 3.3Å; S638-F642 WeakPolarHBondContact O-CB 3.49Å; S638-F642 PolarHBondContact O-N 3.15Å; L639-F642 PolarHBondContact O-N 3.09Å; F642-K644 VanDerWaalsContact C-N 3.27Å; F642-K644 PolarHBondContact O-N 3.24Å; F642-K645 PolarHBondContact O-N 3.49Å; F642-K645 VanDerWaalsContact O-N 3.16Å; F642-L646 HydrophobicContact CE1-CD2 4.49Å; F642-L646 WeakPolarHBondContact O-CB 3.49Å; F642-L646 PolarHBondContact O-N 2.76Å
643	Y	92.3	Very high	85.4	Confident	6 Å²	6	36.7 Å²	36.7	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-36	178.8	-97.2	-82.3	0	0	0	113.1	L562 F580 L639 L646 Y647 L680	L562-Y643 HydrophobicContact CD2-CE2 3.71Å; F580-Y643 HydrophobicContact CE1-CG 4.41Å; L639-Y643 HydrophobicContact CD1-CD2 3.83Å; L639-Y643 HydrophobicContact CD1-CE2 3.79Å; L639-Y643 HydrophobicContact CG-CD2 4.13Å; L639-Y643 HydrophobicContact CG-CE2 4.38Å; L639-Y643 PolarHBondContact O-N 2.95Å; Y643-L646 HydrophobicContact CD1-CD2 3.95Å; Y643-L646 HydrophobicContact CE1-CD2 4Å; Y643-L646 PolarHBondContact O-N 3.27Å; Y643-Y647 HydrophobicContact CD1-CD1 4.43Å; Y643-Y647 AromaticContact CD1-CE1 3.67Å; Y643-Y647 HydrophobicContact CD1-CE1 3.67Å; Y643-Y647 HydrophobicContact CD1-CE2 4.04Å; Y643-Y647 AromaticContact CD1-CZ 3.44Å; Y643-Y647 VanDerWaalsContact CD1-CZ 3.44Å; Y643-Y647 WeakPolarHBondContact CD1-OH 3.43Å; Y643-Y647 HydrophobicContact CE1-CE1 4.13Å; Y643-Y647 WeakPolarHBondContact O-CB 3.4Å; Y643-Y647 VanDerWaalsContact O-CD2 3.31Å; Y643-Y647 WeakPolarHBondContact O-CD2 3.28Å; Y643-Y647 PolarHBondContact O-N 3.46Å; Y643-L680 WeakPolarHBondContact CE1-O 3.14Å; Y643-L680 PolarHBondContact OH-O 3.46Å
644	K	89.3	Confident	87.9	Confident	50 Å²	50	30.9 Å²	30.9	22%	0.217	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-42.4	176.6	-168.8	178.8	-160.9	162.3	0	112.4	Q582 P583 L584 S640 L641 F642 R648	Q582-K644 WeakPolarHBondContact O-CE 3.46Å; Q582-K644 PolarHBondContact O-NZ 2.85Å; P583-K644 PolarHBondContact O-NZ 3.17Å; L584-K644 VanDerWaalsContact CA-NZ 3.28Å; L584-K644 HydrophobicContact CD2-CD 3.91Å; L584-K644 HydrophobicContact CG-CD 3.95Å; L584-K644 VanDerWaalsContact N-NZ 3.19Å; S640-K644 WeakPolarHBondContact O-CB 3.46Å; S640-K644 PolarHBondContact O-N 3.36Å; S640-K644 VanDerWaalsContact O-N 3.12Å; L641-K644 PolarHBondContact O-N 3.23Å; F642-K644 VanDerWaalsContact C-N 3.27Å; F642-K644 PolarHBondContact O-N 3.24Å; K644-R648 PolarHBondContact O-N 2.96Å
645	K	92.3	Very high	90	Very high	32 Å²	32	29.9 Å²	29.9	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-70.9	-42.2	175.3	-64.7	-150.7	-168.9	-171.2	0	111.6	Y518 E522 E543 M547 L641 F642 Y647 R648 L649	Y518-K645 HydrophobicContact CE2-CD 4.17Å; Y518-K645 WeakPolarHBondContact OH-CD 3.48Å; Y518-K645 WeakPolarHBondContact OH-CG 3.46Å; E522-K645 VanDerWaalsContact OE2-CE 3.27Å; E522-K645 WeakPolarHBondContact OE2-CE 3.41Å; E522-K645 IonicContact OE2-NZ 2.96Å; E522-K645 PolarHBondContact OE2-NZ 2.86Å; E543-K645 WeakPolarHBondContact OE1-CD 3.3Å; E543-K645 WeakPolarHBondContact OE1-CE 3.42Å; E543-K645 IonicContact OE1-NZ 2.99Å; E543-K645 PolarHBondContact OE1-NZ 2.88Å; E543-K645 IonicContact OE2-NZ 3.49Å; M547-K645 HydrophobicContact CE-CB 4.33Å; M547-K645 HydrophobicContact SD-CB 3.36Å; M547-K645 WeakPolarHBondContact SD-CB 3.25Å; M547-K645 HydrophobicContact SD-CD 4.49Å; L641-K645 PolarHBondContact O-N 3.44Å; L641-K645 VanDerWaalsContact O-N 3.12Å; F642-K645 PolarHBondContact O-N 3.49Å; F642-K645 VanDerWaalsContact O-N 3.16Å; K645-Y647 PolarHBondContact O-N 3.48Å; K645-R648 WeakPolarHBondContact O-CB 3.36Å; K645-R648 PolarHBondContact O-N 3.38Å; K645-L649 PolarHBondContact O-N 3.4Å
646	L	95.1	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.1	-51.9	175	179.4	74.9	0	0	0	111.7	M547 W552 F642 Y643 R648 L649 A650 L680 L692	M547-L646 HydrophobicContact CB-CD1 4.28Å; M547-L646 WeakPolarHBondContact O-CD1 3.36Å; W552-L646 HydrophobicContact CH2-CD2 4.28Å; W552-L646 HydrophobicContact CZ2-CD1 4.28Å; W552-L646 HydrophobicContact CZ2-CD2 3.62Å; F642-L646 HydrophobicContact CE1-CD2 4.49Å; F642-L646 WeakPolarHBondContact O-CB 3.49Å; F642-L646 PolarHBondContact O-N 2.76Å; Y643-L646 HydrophobicContact CD1-CD2 3.95Å; Y643-L646 HydrophobicContact CE1-CD2 4Å; Y643-L646 PolarHBondContact O-N 3.27Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 3.47Å; L646-L649 PolarHBondContact O-N 3.01Å; L646-A650 VanDerWaalsContact O-CB 3.27Å; L646-A650 WeakPolarHBondContact O-CB 3.3Å; L646-A650 PolarHBondContact O-N 3.02Å; L646-L680 HydrophobicContact CD2-CD1 4.28Å; L646-L692 HydrophobicContact CD1-CD1 4.13Å; L646-L692 HydrophobicContact CD1-CD2 4.05Å
647	Y	95	Very high	92.3	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.043	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-37.5	-179.9	-71.1	-24	0	0	0	112.4	F580 Y643 K645 Y651 W673 Q677 L680 Q681	F580-Y647 HydrophobicContact CB-CE2 4.15Å; F580-Y647 HydrophobicContact CG-CE2 4.37Å; Y643-Y647 HydrophobicContact CD1-CD1 4.43Å; Y643-Y647 AromaticContact CD1-CE1 3.67Å; Y643-Y647 HydrophobicContact CD1-CE1 3.67Å; Y643-Y647 HydrophobicContact CD1-CE2 4.04Å; Y643-Y647 AromaticContact CD1-CZ 3.44Å; Y643-Y647 VanDerWaalsContact CD1-CZ 3.44Å; Y643-Y647 WeakPolarHBondContact CD1-OH 3.43Å; Y643-Y647 HydrophobicContact CE1-CE1 4.13Å; Y643-Y647 WeakPolarHBondContact O-CB 3.4Å; Y643-Y647 VanDerWaalsContact O-CD2 3.31Å; Y643-Y647 WeakPolarHBondContact O-CD2 3.28Å; Y643-Y647 PolarHBondContact O-N 3.46Å; K645-Y647 PolarHBondContact O-N 3.48Å; Y647-Y651 VanDerWaalsContact O-CB 3.25Å; Y647-Y651 WeakPolarHBondContact O-CB 3.19Å; Y647-Y651 PolarHBondContact O-N 3.1Å; Y647-W673 AromaticContact CD1-CH2 3.89Å; Y647-W673 HydrophobicContact CD1-CH2 3.89Å; Y647-W673 HydrophobicContact CD1-CZ2 4.47Å; Y647-W673 AromaticContact CG-CH2 3.97Å; Y647-W673 HydrophobicContact CG-CH2 3.97Å; Y647-W673 HydrophobicContact CG-CZ2 4.27Å; Y647-W673 WeakPolarHBondContact O-CH2 3.25Å; Y647-Q677 HydrophobicContact CD1-CG 4.27Å; Y647-Q677 HydrophobicContact CE1-CG 3.89Å; Y647-Q677 HydrophobicContact CE2-CG 4.31Å; Y647-Q677 PolarHBondContact OH-NE2 3.2Å; Y647-Q677 VanDerWaalsContact OH-NE2 3.13Å; Y647-L680 HydrophobicContact CD1-CD1 4.16Å; Y647-L680 HydrophobicContact CE1-CB 4Å; Y647-L680 HydrophobicContact CE1-CD1 4.18Å; Y647-Q681 WeakPolarHBondContact OH-CB 3.33Å
648	R	91.3	Very high	92.9	Very high	58 Å²	58	22.5 Å²	22.5	22%	0.219	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-45.1	175.5	-178.9	-177.4	168.3	164.2	3.7	111.8	K644 K645 L646 T652 P778	K644-R648 PolarHBondContact O-N 2.96Å; K645-R648 WeakPolarHBondContact O-CB 3.36Å; K645-R648 PolarHBondContact O-N 3.38Å; L646-R648 VanDerWaalsContact C-N 3.26Å; L646-R648 PolarHBondContact O-N 3.47Å; R648-T652 VanDerWaalsContact O-CB 3.32Å; R648-T652 WeakPolarHBondContact O-CB 3.33Å; R648-T652 PolarHBondContact O-N 3.19Å; R648-T652 PolarHBondContact O-OG1 3.25Å; R648-P778 PolarHBondContact NH1-O 2.99Å; R648-P778 PolarHBondContact NH2-O 2.96Å
649	L	93.3	Very high	93.2	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.115	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-52.1	175.7	177.9	62.4	0	0	0	110.4	N544 M547 E548 K645 L646 Y651 T652 R653 L692	N544-L649 HydrophobicContact CB-CD2 4.21Å; M547-L649 HydrophobicContact CB-CD2 4.12Å; M547-L649 HydrophobicContact CE-CD2 4.16Å; E548-L649 HydrophobicContact CB-CD2 4.4Å; K645-L649 PolarHBondContact O-N 3.4Å; L646-L649 PolarHBondContact O-N 3.01Å; L649-Y651 PolarHBondContact O-N 3.4Å; L649-T652 PolarHBondContact O-N 2.68Å; L649-R653 PolarHBondContact O-N 2.99Å; L649-R653 VanDerWaalsContact O-N 3.1Å; L649-L692 HydrophobicContact CD2-CD2 4.15Å; L649-L692 HydrophobicContact CG-CD2 4.27Å
650	A	96.1	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.3	-51.6	179.4	0	0	0	0	0	112.3	L646 R653 L654 W673 F676 L680 L692	L646-A650 VanDerWaalsContact O-CB 3.27Å; L646-A650 WeakPolarHBondContact O-CB 3.3Å; L646-A650 PolarHBondContact O-N 3.02Å; A650-R653 PolarHBondContact O-N 3.34Å; A650-L654 WeakPolarHBondContact O-CB 3.47Å; A650-L654 PolarHBondContact O-N 3.42Å; A650-W673 HydrophobicContact CB-CZ3 4.01Å; A650-F676 HydrophobicContact CB-CD1 4.38Å; A650-F676 HydrophobicContact CB-CE1 3.65Å; A650-F676 HydrophobicContact CB-CZ 4.04Å; A650-L680 HydrophobicContact CB-CD1 4.28Å; A650-L692 HydrophobicContact CB-CD1 4.18Å; A650-L692 HydrophobicContact CB-CD2 4.1Å; A650-L692 HydrophobicContact CB-CG 4.47Å
651	Y	95.9	Very high	93.7	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-67.5	-37.2	-179.4	-179.8	-105.2	0	0	0	112.5	Y647 L649 R653 L654 K655 E669 W673 I774	Y647-Y651 VanDerWaalsContact O-CB 3.25Å; Y647-Y651 WeakPolarHBondContact O-CB 3.19Å; Y647-Y651 PolarHBondContact O-N 3.1Å; L649-Y651 PolarHBondContact O-N 3.4Å; Y651-R653 VanDerWaalsContact C-N 3.32Å; Y651-R653 PolarHBondContact O-N 3.19Å; Y651-L654 PolarHBondContact O-N 2.66Å; Y651-K655 HydrophobicContact CE1-CD 4.22Å; Y651-K655 VanDerWaalsContact O-CB 3.24Å; Y651-K655 WeakPolarHBondContact O-CB 3.27Å; Y651-K655 PolarHBondContact O-N 3.01Å; Y651-E669 HydrophobicContact CE2-CG 4.39Å; Y651-E669 VanDerWaalsContact CZ-OE1 3.29Å; Y651-E669 PolarHBondContact OH-OE1 3.03Å; Y651-W673 HydrophobicContact CD2-CB 4.23Å; Y651-W673 AromaticContact CD2-CD2 3.75Å; Y651-W673 HydrophobicContact CD2-CD2 3.75Å; Y651-W673 AromaticContact CD2-CE3 3.88Å; Y651-W673 HydrophobicContact CD2-CE3 3.88Å; Y651-W673 AromaticContact CD2-CG 3.88Å; Y651-W673 HydrophobicContact CD2-CG 3.88Å; Y651-W673 HydrophobicContact CE2-CB 4.42Å; Y651-W673 HydrophobicContact CE2-CG 4.34Å; Y651-W673 HydrophobicContact CG-CD2 4.4Å; Y651-W673 HydrophobicContact CG-CE3 4.35Å; Y651-I774 HydrophobicContact CD1-CG2 3.88Å; Y651-I774 HydrophobicContact CE1-CG2 3.28Å; Y651-I774 HydrophobicContact CE2-CG1 4.16Å; Y651-I774 HydrophobicContact CE2-CG2 4.01Å; Y651-I774 HydrophobicContact CG-CG2 4.46Å
652	T	93.3	Very high	94	Very high	59 Å²	59	32 Å²	32	36%	0.362	15%	0.154	S	C	.	.	H	α-helix	trans	-62.8	-39.9	177.5	-58	0	0	0	0	111.6	R648 L649 T656	R648-T652 VanDerWaalsContact O-CB 3.32Å; R648-T652 WeakPolarHBondContact O-CB 3.33Å; R648-T652 PolarHBondContact O-N 3.19Å; R648-T652 PolarHBondContact O-OG1 3.25Å; L649-T652 PolarHBondContact O-N 2.68Å; T652-T656 PolarHBondContact O-N 2.85Å; T652-T656 PolarHBondContact O-OG1 3.4Å
653	R	94.8	Very high	94	Very high	31 Å²	31	36.3 Å²	36.3	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-69.4	-46.7	175.4	-72.4	-175.2	178.2	172.7	2	112.1	E548 L649 A650 Y651 K655 T656 L657 D693 M696 M723	E548-R653 IonicContact OE2-CZ 2.76Å; E548-R653 IonicContact OE2-NH1 2.75Å; E548-R653 PolarHBondContact OE2-NH1 2.89Å; E548-R653 IonicContact OE2-NH2 3.35Å; E548-R653 PolarHBondContact OE2-NH2 2.62Å; L649-R653 PolarHBondContact O-N 2.99Å; L649-R653 VanDerWaalsContact O-N 3.1Å; A650-R653 PolarHBondContact O-N 3.34Å; Y651-R653 VanDerWaalsContact C-N 3.32Å; Y651-R653 PolarHBondContact O-N 3.19Å; R653-K655 VanDerWaalsContact C-N 3.32Å; R653-K655 PolarHBondContact O-N 2.96Å; R653-T656 WeakPolarHBondContact O-CB 3.41Å; R653-T656 PolarHBondContact O-N 3.41Å; R653-T656 VanDerWaalsContact O-N 3.14Å; R653-L657 PolarHBondContact O-N 3.26Å; R653-D693 VanDerWaalsContact CD-OD1 3.27Å; R653-D693 WeakPolarHBondContact CD-OD1 3.43Å; R653-D693 IonicContact CZ-OD1 3.67Å; R653-D693 IonicContact CZ-OD2 2.62Å; R653-D693 IonicContact NE-OD1 2.71Å; R653-D693 IonicContact NH1-OD1 2.62Å; R653-D693 PolarHBondContact NH1-OD1 3.3Å; R653-D693 IonicContact NH1-OD2 2.66Å; R653-D693 PolarHBondContact NH1-OD2 2.95Å; R653-M696 HydrophobicContact CB-CE 4.13Å; R653-M696 HydrophobicContact CB-SD 3.63Å; R653-M723 HydrophobicContact CB-CE 3.82Å; R653-M723 HydrophobicContact CG-CE 3.86Å
654	L	96.4	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-48.8	177.2	173	61.9	0	0	0	110.8	A650 Y651 T656 L657 C658 I672 W673 M696 M700	A650-L654 WeakPolarHBondContact O-CB 3.47Å; A650-L654 PolarHBondContact O-N 3.42Å; Y651-L654 PolarHBondContact O-N 2.66Å; L654-T656 VanDerWaalsContact C-N 3.29Å; L654-T656 PolarHBondContact O-N 2.88Å; L654-L657 PolarHBondContact O-N 2.84Å; L654-L657 VanDerWaalsContact O-N 3.16Å; L654-C658 WeakPolarHBondContact O-CB 3.41Å; L654-C658 PolarHBondContact O-N 3.19Å; L654-C658 PolarHBondContact O-SG 2.8Å; L654-C658 VanDerWaalsContact O-SG 3.34Å; L654-I672 HydrophobicContact CD1-CB 4.34Å; L654-I672 HydrophobicContact CD1-CG2 3.54Å; L654-I672 HydrophobicContact CD2-CB 4.35Å; L654-I672 HydrophobicContact CD2-CG2 3.95Å; L654-I672 HydrophobicContact CG-CG2 4.4Å; L654-W673 HydrophobicContact CD2-CB 3.92Å; L654-W673 HydrophobicContact CD2-CE3 4.2Å; L654-M696 VanDerWaalsContact CA-SD 3.54Å; L654-M696 HydrophobicContact CB-CG 4.2Å; L654-M696 HydrophobicContact CB-SD 3.99Å; L654-M696 HydrophobicContact CD1-CG 4.2Å; L654-M696 PolarHBondContact N-SD 3.45Å; L654-M700 HydrophobicContact CD1-CG 3.58Å; L654-M700 HydrophobicContact CD1-SD 3.87Å
655	K	94.7	Very high	94.2	Very high	95 Å²	95	41.5 Å²	41.5	41%	0.413	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-41.1	178.5	-178.9	170	-175.9	163.7	0	112.4	Y651 R653 C658 S659	Y651-K655 HydrophobicContact CE1-CD 4.22Å; Y651-K655 VanDerWaalsContact O-CB 3.24Å; Y651-K655 WeakPolarHBondContact O-CB 3.27Å; Y651-K655 PolarHBondContact O-N 3.01Å; R653-K655 VanDerWaalsContact C-N 3.32Å; R653-K655 PolarHBondContact O-N 2.96Å; K655-C658 PolarHBondContact O-N 3.33Å; K655-S659 WeakPolarHBondContact O-CB 3.29Å; K655-S659 PolarHBondContact O-N 3.08Å
656	T	94.4	Very high	94.2	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.264	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-49	175.5	-57.2	0	0	0	0	110.8	T652 R653 L654 S659 Y660 M723	T652-T656 PolarHBondContact O-N 2.85Å; T652-T656 PolarHBondContact O-OG1 3.4Å; R653-T656 WeakPolarHBondContact O-CB 3.41Å; R653-T656 PolarHBondContact O-N 3.41Å; R653-T656 VanDerWaalsContact O-N 3.14Å; L654-T656 VanDerWaalsContact C-N 3.29Å; L654-T656 PolarHBondContact O-N 2.88Å; T656-S659 PolarHBondContact O-N 3.16Å; T656-S659 PolarHBondContact O-OG 3.29Å; T656-Y660 HydrophobicContact CG2-CD2 4.32Å; T656-Y660 HydrophobicContact CG2-CE2 3.61Å; T656-Y660 PolarHBondContact O-N 2.98Å; T656-M723 HydrophobicContact CG2-CG 4.34Å
657	L	95.1	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-43	177.4	-74.7	-179.3	0	0	0	113.4	R653 L654 S659 Y660 L661 M696 M700 A719 Y720 M723	R653-L657 PolarHBondContact O-N 3.26Å; L654-L657 PolarHBondContact O-N 2.84Å; L654-L657 VanDerWaalsContact O-N 3.16Å; L657-S659 PolarHBondContact O-N 3.43Å; L657-Y660 PolarHBondContact O-N 3.43Å; L657-Y660 VanDerWaalsContact O-N 3.09Å; L657-L661 WeakPolarHBondContact O-CB 3.5Å; L657-L661 PolarHBondContact O-N 3.06Å; L657-M696 HydrophobicContact CD1-CE 3.46Å; L657-M696 VanDerWaalsContact CD1-CE 3.46Å; L657-M696 HydrophobicContact CD1-SD 4.21Å; L657-M696 HydrophobicContact CG-CE 4.49Å; L657-M700 HydrophobicContact CB-CE 3.86Å; L657-M700 HydrophobicContact CB-SD 3.78Å; L657-M700 HydrophobicContact CD1-SD 3.78Å; L657-M700 HydrophobicContact CG-SD 4.45Å; L657-A719 HydrophobicContact CD2-CB 4.07Å; L657-Y720 HydrophobicContact CD1-CD2 4.43Å; L657-M723 HydrophobicContact CD1-SD 4.01Å; L657-M723 HydrophobicContact CD2-CG 4.16Å; L657-M723 HydrophobicContact CD2-SD 3.39Å; L657-M723 WeakPolarHBondContact CD2-SD 3.31Å; L657-M723 HydrophobicContact CG-CE 4.5Å; L657-M723 HydrophobicContact CG-SD 3.43Å; L657-M723 WeakPolarHBondContact CG-SD 3.32Å
658	C	96.1	Very high	94.2	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-38.3	174.6	-71.2	0	0	0	0	111.2	L654 K655 Y660 L661 L662 S663 E669	L654-C658 WeakPolarHBondContact O-CB 3.41Å; L654-C658 PolarHBondContact O-N 3.19Å; L654-C658 PolarHBondContact O-SG 2.8Å; L654-C658 VanDerWaalsContact O-SG 3.34Å; K655-C658 PolarHBondContact O-N 3.33Å; C658-Y660 VanDerWaalsContact C-N 3.28Å; C658-Y660 PolarHBondContact O-N 2.9Å; C658-L661 PolarHBondContact O-N 3.01Å; C658-L662 CarbonylContact O-C 3.49Å; C658-L662 VanDerWaalsContact O-C 3.31Å; C658-L662 VanDerWaalsContact O-CA 3.3Å; C658-L662 WeakPolarHBondContact O-CA 3.45Å; C658-L662 WeakPolarHBondContact O-CB 3.18Å; C658-L662 PolarHBondContact O-N 3.31Å; C658-S663 PolarHBondContact O-N 3.33Å; C658-E669 HydrophobicContact CB-CB 4.38Å; C658-E669 HydrophobicContact CB-CG 4.27Å
659	S	94.1	Very high	94.4	Very high	68 Å²	68	47.5 Å²	47.5	48%	0.476	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-30	176.9	78.9	0	0	0	0	113.6	K655 T656 L657	K655-S659 WeakPolarHBondContact O-CB 3.29Å; K655-S659 PolarHBondContact O-N 3.08Å; T656-S659 PolarHBondContact O-N 3.16Å; T656-S659 PolarHBondContact O-OG 3.29Å; L657-S659 PolarHBondContact O-N 3.43Å
660	Y	93.1	Very high	94.5	Very high	132 Å²	132	47.9 Å²	47.9	52%	0.518	26%	0.264	S	S	.	.	H	α-helix	trans	-83.1	-36.6	177.8	-62.6	-24.7	0	0	0	113.1	T656 L657 C658 M723	T656-Y660 HydrophobicContact CG2-CD2 4.32Å; T656-Y660 HydrophobicContact CG2-CE2 3.61Å; T656-Y660 PolarHBondContact O-N 2.98Å; L657-Y660 PolarHBondContact O-N 3.43Å; L657-Y660 VanDerWaalsContact O-N 3.09Å; C658-Y660 VanDerWaalsContact C-N 3.28Å; C658-Y660 PolarHBondContact O-N 2.9Å; Y660-M723 HydrophobicContact CE2-CG 4.48Å
661	L	94.6	Very high	94.5	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-110.1	-26.2	-167.9	-65.1	172.1	0	0	0	114.5	L657 C658 M700 L711 I716 A719	L657-L661 WeakPolarHBondContact O-CB 3.5Å; L657-L661 PolarHBondContact O-N 3.06Å; C658-L661 PolarHBondContact O-N 3.01Å; L661-M700 HydrophobicContact CD1-CE 4.15Å; L661-L711 HydrophobicContact CB-CD1 4.28Å; L661-L711 HydrophobicContact CD1-CD1 4.4Å; L661-I716 HydrophobicContact CD1-CB 4.39Å; L661-I716 HydrophobicContact CD1-CG1 4.2Å; L661-A719 HydrophobicContact CD1-CB 3.85Å; L661-A719 HydrophobicContact CD2-CB 3.72Å; L661-A719 HydrophobicContact CG-CB 3.78Å
662	L	94.6	Very high	94.6	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	27%	0.269	C	S	.	.			trans	-127.7	29.2	-168.2	-61.4	176.8	0	0	0	112	C658 S664 H665 L668 I672 M700 V709 L711	C658-L662 CarbonylContact O-C 3.49Å; C658-L662 VanDerWaalsContact O-C 3.31Å; C658-L662 VanDerWaalsContact O-CA 3.3Å; C658-L662 WeakPolarHBondContact O-CA 3.45Å; C658-L662 WeakPolarHBondContact O-CB 3.18Å; C658-L662 PolarHBondContact O-N 3.31Å; L662-S664 PolarHBondContact O-N 3.28Å; L662-H665 CarbonylContact O-C 3.51Å; L662-H665 VanDerWaalsContact O-C 3.27Å; L662-H665 PolarHBondContact O-N 3.02Å; L662-L668 HydrophobicContact CD1-CB 4.48Å; L662-L668 HydrophobicContact CD2-CD1 4.41Å; L662-I672 HydrophobicContact CD1-CD1 3.64Å; L662-M700 HydrophobicContact CD1-CE 4.13Å; L662-V709 HydrophobicContact CD2-CG1 4.4Å; L662-L711 HydrophobicContact CD2-CD2 4.3Å
663	S	91.7	Very high	94.8	Very high	90 Å²	90	46.1 Å²	46.1	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.5	177.4	56.4	0	0	0	0	113.1	C658 H665	C658-S663 PolarHBondContact O-N 3.33Å; S663-H665 VanDerWaalsContact C-N 3.33Å
664	S	92.7	Very high	94.9	Very high	99 Å²	99	45 Å²	45	69%	0.692	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-12	173.7	-53.9	0	0	0	0	114.3	L662	L662-S664 PolarHBondContact O-N 3.28Å
665	H	93.8	Very high	94.9	Very high	66 Å²	66	45 Å²	45	31%	0.306	25%	0.249	S	C	.	.			trans	-133.7	58.3	-175.5	-63.8	-67.9	0	0	0	112.1	L662 S663 E667 L668	L662-H665 CarbonylContact O-C 3.51Å; L662-H665 VanDerWaalsContact O-C 3.27Å; L662-H665 PolarHBondContact O-N 3.02Å; S663-H665 VanDerWaalsContact C-N 3.33Å; H665-E667 WeakPolarHBondContact CA-OE2 3.46Å; H665-E667 IonicContact CG-OE1 3.87Å; H665-E667 IonicContact ND1-OE1 3.32Å; H665-E667 PolarHBondContact ND1-OE1 2.62Å; H665-E667 PolarHBondContact O-N 3.36Å; H665-E667 VanDerWaalsContact O-N 3.14Å; H665-L668 HydrophobicContact CB-CD1 3.73Å; H665-L668 HydrophobicContact CB-CG 3.96Å; H665-L668 WeakPolarHBondContact O-CB 3.27Å; H665-L668 PolarHBondContact O-N 2.71Å; H665-L668 VanDerWaalsContact O-N 3.09Å
666	P	93	Very high	95.1	Very high	89 Å²	89	40.5 Å²	40.5	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.5	-175.9	27.8	-36.4	0	0	0	113.7	L668 E669	P666-L668 PolarHBondContact O-N 3.21Å; P666-E669 PolarHBondContact O-N 3.03Å
667	E	93.6	Very high	95.2	Very high	99 Å²	99	39.3 Å²	39.3	46%	0.463	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.2	175.9	71.7	-75.5	177.5	0	0	113.7	H665 P670	H665-E667 WeakPolarHBondContact CA-OE2 3.46Å; H665-E667 IonicContact CG-OE1 3.87Å; H665-E667 IonicContact ND1-OE1 3.32Å; H665-E667 PolarHBondContact ND1-OE1 2.62Å; H665-E667 PolarHBondContact O-N 3.36Å; H665-E667 VanDerWaalsContact O-N 3.14Å; E667-P670 WeakPolarHBondContact O-CD 3.3Å; E667-P670 WeakPolarHBondContact O-CG 3.48Å
668	L	95.3	Very high	95.2	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-77.4	-29	-179.5	-64	-176.5	0	0	0	112.8	L662 H665 P666 I671 I672 I703 K707 V709	L662-L668 HydrophobicContact CD1-CB 4.48Å; L662-L668 HydrophobicContact CD2-CD1 4.41Å; H665-L668 HydrophobicContact CB-CD1 3.73Å; H665-L668 HydrophobicContact CB-CG 3.96Å; H665-L668 WeakPolarHBondContact O-CB 3.27Å; H665-L668 PolarHBondContact O-N 2.71Å; H665-L668 VanDerWaalsContact O-N 3.09Å; P666-L668 PolarHBondContact O-N 3.21Å; L668-I671 HydrophobicContact CD2-CD1 4.4Å; L668-I671 PolarHBondContact O-N 3.35Å; L668-I672 HydrophobicContact CB-CD1 4.08Å; L668-I672 VanDerWaalsContact O-CG1 3.27Å; L668-I672 WeakPolarHBondContact O-CG1 3.33Å; L668-I672 PolarHBondContact O-N 2.67Å; L668-I703 HydrophobicContact CD2-CG2 4.36Å; L668-K707 HydrophobicContact CD2-CB 3.98Å; L668-K707 HydrophobicContact CD2-CG 3.79Å; L668-V709 HydrophobicContact CD1-CB 4.31Å; L668-V709 HydrophobicContact CD1-CG1 4.46Å; L668-V709 HydrophobicContact CD1-CG2 3.95Å
669	E	96.1	Very high	95.2	Very high	35 Å²	35	42.7 Å²	42.7	16%	0.164	23%	0.233	C	C	.	.	H	α-helix	trans	-51.9	-53.4	-178.9	-176.2	-172.8	129.4	0	0	113.2	Y651 C658 P666 I671 I672 W673	Y651-E669 HydrophobicContact CE2-CG 4.39Å; Y651-E669 VanDerWaalsContact CZ-OE1 3.29Å; Y651-E669 PolarHBondContact OH-OE1 3.03Å; C658-E669 HydrophobicContact CB-CB 4.38Å; C658-E669 HydrophobicContact CB-CG 4.27Å; P666-E669 PolarHBondContact O-N 3.03Å; E669-I671 VanDerWaalsContact C-N 3.29Å; E669-I671 PolarHBondContact O-N 3.34Å; E669-I672 PolarHBondContact O-N 3.18Å; E669-W673 WeakPolarHBondContact O-CB 3.34Å; E669-W673 PolarHBondContact O-N 3.36Å
670	P	95.3	Very high	95.3	Very high	31 Å²	31	39.4 Å²	39.4	20%	0.201	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-26.6	178.4	26.6	-35.9	0	0	0	113.5	E667 T674 L771	E667-P670 WeakPolarHBondContact O-CD 3.3Å; E667-P670 WeakPolarHBondContact O-CG 3.48Å; P670-T674 PolarHBondContact O-N 2.91Å; P670-T674 PolarHBondContact O-OG1 3.42Å; P670-L771 HydrophobicContact CB-CD1 4.28Å
671	I	96.4	Very high	95.2	Very high	28 Å²	28	34.7 Å²	34.7	14%	0.144	19%	0.193	C	C	.	.	H	α-helix	trans	-73.6	-45.6	177.7	-56.2	173.9	0	0	0	110	L668 E669 W673 T674 L675 I703 H763 L771	L668-I671 HydrophobicContact CD2-CD1 4.4Å; L668-I671 PolarHBondContact O-N 3.35Å; E669-I671 VanDerWaalsContact C-N 3.29Å; E669-I671 PolarHBondContact O-N 3.34Å; I671-W673 VanDerWaalsContact C-N 3.3Å; I671-W673 PolarHBondContact O-N 3.27Å; I671-T674 WeakPolarHBondContact O-CB 3.38Å; I671-T674 PolarHBondContact O-N 3.06Å; I671-L675 PolarHBondContact O-N 3.03Å; I671-L675 VanDerWaalsContact O-N 3.15Å; I671-I703 HydrophobicContact CB-CG2 4.21Å; I671-I703 HydrophobicContact CG2-CD1 4.08Å; I671-I703 HydrophobicContact CG2-CG1 4.4Å; I671-I703 HydrophobicContact CG2-CG2 3.74Å; I671-H763 HydrophobicContact CG2-CB 4.37Å; I671-L771 HydrophobicContact CG1-CD2 4.02Å
672	I	98	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-44.7	173.5	-62.4	160	0	0	0	109.9	L654 L662 L668 E669 T674 L675 F676 A699 M700 I703	L654-I672 HydrophobicContact CD1-CB 4.34Å; L654-I672 HydrophobicContact CD1-CG2 3.54Å; L654-I672 HydrophobicContact CD2-CB 4.35Å; L654-I672 HydrophobicContact CD2-CG2 3.95Å; L654-I672 HydrophobicContact CG-CG2 4.4Å; L662-I672 HydrophobicContact CD1-CD1 3.64Å; L668-I672 HydrophobicContact CB-CD1 4.08Å; L668-I672 VanDerWaalsContact O-CG1 3.27Å; L668-I672 WeakPolarHBondContact O-CG1 3.33Å; L668-I672 PolarHBondContact O-N 2.67Å; E669-I672 PolarHBondContact O-N 3.18Å; I672-T674 VanDerWaalsContact C-N 3.28Å; I672-T674 PolarHBondContact O-N 3.22Å; I672-L675 PolarHBondContact O-N 2.79Å; I672-F676 WeakPolarHBondContact O-CB 3.32Å; I672-F676 PolarHBondContact O-N 3.2Å; I672-A699 HydrophobicContact CG2-CB 4.24Å; I672-M700 HydrophobicContact CD1-CG 4.3Å; I672-M700 HydrophobicContact CG2-CB 4.42Å; I672-M700 HydrophobicContact CG2-CG 3.82Å; I672-I703 HydrophobicContact CG1-CB 3.73Å; I672-I703 HydrophobicContact CG1-CG1 4.14Å; I672-I703 HydrophobicContact CG1-CG2 3.78Å
673	W	97.7	Very high	95.1	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-42.4	175.8	173.5	-117.5	0	0	0	112.1	Y647 A650 Y651 L654 E669 I671 F676 Q677 P773 P775	Y647-W673 AromaticContact CD1-CH2 3.89Å; Y647-W673 HydrophobicContact CD1-CH2 3.89Å; Y647-W673 HydrophobicContact CD1-CZ2 4.47Å; Y647-W673 AromaticContact CG-CH2 3.97Å; Y647-W673 HydrophobicContact CG-CH2 3.97Å; Y647-W673 HydrophobicContact CG-CZ2 4.27Å; Y647-W673 WeakPolarHBondContact O-CH2 3.25Å; A650-W673 HydrophobicContact CB-CZ3 4.01Å; Y651-W673 HydrophobicContact CD2-CB 4.23Å; Y651-W673 AromaticContact CD2-CD2 3.75Å; Y651-W673 HydrophobicContact CD2-CD2 3.75Å; Y651-W673 AromaticContact CD2-CE3 3.88Å; Y651-W673 HydrophobicContact CD2-CE3 3.88Å; Y651-W673 AromaticContact CD2-CG 3.88Å; Y651-W673 HydrophobicContact CD2-CG 3.88Å; Y651-W673 HydrophobicContact CE2-CB 4.42Å; Y651-W673 HydrophobicContact CE2-CG 4.34Å; Y651-W673 HydrophobicContact CG-CD2 4.4Å; Y651-W673 HydrophobicContact CG-CE3 4.35Å; L654-W673 HydrophobicContact CD2-CB 3.92Å; L654-W673 HydrophobicContact CD2-CE3 4.2Å; E669-W673 WeakPolarHBondContact O-CB 3.34Å; E669-W673 PolarHBondContact O-N 3.36Å; I671-W673 VanDerWaalsContact C-N 3.3Å; I671-W673 PolarHBondContact O-N 3.27Å; W673-F676 HydrophobicContact CE3-CD1 4.36Å; W673-F676 HydrophobicContact CZ3-CD1 4.3Å; W673-F676 PolarHBondContact O-N 2.86Å; W673-Q677 HydrophobicContact CD2-CB 4.23Å; W673-Q677 HydrophobicContact CE3-CB 4.46Å; W673-Q677 HydrophobicContact CH2-CB 4.01Å; W673-Q677 HydrophobicContact CH2-CG 4.2Å; W673-Q677 HydrophobicContact CZ2-CB 3.77Å; W673-Q677 HydrophobicContact CZ2-CG 3.75Å; W673-Q677 HydrophobicContact CZ3-CB 4.36Å; W673-Q677 WeakPolarHBondContact O-CB 3.36Å; W673-Q677 PolarHBondContact O-N 3.33Å; W673-P773 PolarHBondContact NE1-O 3.46Å; W673-P775 HydrophobicContact CH2-CG 3.9Å; W673-P775 VanDerWaalsContact CZ2-CD 3.45Å; W673-P775 HydrophobicContact CZ2-CG 3.37Å
674	T	96.2	Very high	95.2	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-48.6	179.2	-57.7	0	0	0	0	111.5	P670 I671 I672 F676 Y678 L771 S772	P670-T674 PolarHBondContact O-N 2.91Å; P670-T674 PolarHBondContact O-OG1 3.42Å; I671-T674 WeakPolarHBondContact O-CB 3.38Å; I671-T674 PolarHBondContact O-N 3.06Å; I672-T674 VanDerWaalsContact C-N 3.28Å; I672-T674 PolarHBondContact O-N 3.22Å; T674-F676 PolarHBondContact O-N 2.82Å; T674-Y678 VanDerWaalsContact O-CB 3.25Å; T674-Y678 WeakPolarHBondContact O-CB 3.34Å; T674-Y678 PolarHBondContact O-N 3.25Å; T674-L771 WeakPolarHBondContact OG1-CA 3.36Å; T674-S772 PolarHBondContact OG1-N 3.4Å
675	L	97.5	Very high	95.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-44	176.1	177	65.2	0	0	0	111.6	I671 I672 Y678 T679 A699 A702 I703 I760	I671-L675 PolarHBondContact O-N 3.03Å; I671-L675 VanDerWaalsContact O-N 3.15Å; I672-L675 PolarHBondContact O-N 2.79Å; L675-Y678 PolarHBondContact O-N 3.17Å; L675-T679 WeakPolarHBondContact O-CB 3.36Å; L675-T679 PolarHBondContact O-N 2.99Å; L675-T679 PolarHBondContact O-OG1 3.09Å; L675-A699 HydrophobicContact CD2-CB 4.09Å; L675-A699 HydrophobicContact CG-CB 4.38Å; L675-A702 HydrophobicContact CD2-CB 4.08Å; L675-I703 HydrophobicContact CB-CD1 4.15Å; L675-I703 HydrophobicContact CB-CG1 4.23Å; L675-I703 HydrophobicContact CD2-CD1 3.77Å; L675-I703 HydrophobicContact CD2-CG1 3.78Å; L675-I760 HydrophobicContact CD1-CG1 3.95Å; L675-I760 HydrophobicContact CD2-CG1 3.84Å
676	F	97.9	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-46	-176.7	-173.4	-160.4	0	0	0	111.7	A650 I672 W673 T674 T679 L680 L692 L695 M696 A699	A650-F676 HydrophobicContact CB-CD1 4.38Å; A650-F676 HydrophobicContact CB-CE1 3.65Å; A650-F676 HydrophobicContact CB-CZ 4.04Å; I672-F676 WeakPolarHBondContact O-CB 3.32Å; I672-F676 PolarHBondContact O-N 3.2Å; W673-F676 HydrophobicContact CE3-CD1 4.36Å; W673-F676 HydrophobicContact CZ3-CD1 4.3Å; W673-F676 PolarHBondContact O-N 2.86Å; T674-F676 PolarHBondContact O-N 2.82Å; F676-T679 WeakPolarHBondContact O-CB 3.3Å; F676-T679 PolarHBondContact O-N 3.43Å; F676-L680 HydrophobicContact CD2-CD1 4.1Å; F676-L680 HydrophobicContact CD2-CG 4.09Å; F676-L680 HydrophobicContact CE2-CD1 3.82Å; F676-L680 HydrophobicContact CE2-CD2 4.09Å; F676-L680 HydrophobicContact CE2-CG 3.92Å; F676-L680 HydrophobicContact CZ-CD1 4.16Å; F676-L680 WeakPolarHBondContact O-CG 3.41Å; F676-L680 PolarHBondContact O-N 3.15Å; F676-L692 HydrophobicContact CE2-CD1 3.92Å; F676-L692 HydrophobicContact CZ-CD1 3.49Å; F676-L692 VanDerWaalsContact CZ-CD1 3.49Å; F676-L692 HydrophobicContact CZ-CG 4Å; F676-L695 HydrophobicContact CD2-CB 4.2Å; F676-L695 HydrophobicContact CE2-CB 3.66Å; F676-M696 HydrophobicContact CD1-CB 4.22Å; F676-M696 HydrophobicContact CD1-CG 4.23Å; F676-M696 HydrophobicContact CE1-CB 3.49Å; F676-M696 VanDerWaalsContact CE1-CB 3.49Å; F676-M696 HydrophobicContact CE1-CG 3.73Å; F676-M696 HydrophobicContact CE1-SD 4.48Å; F676-M696 HydrophobicContact CE2-CB 4.3Å; F676-M696 HydrophobicContact CZ-CB 3.55Å; F676-M696 HydrophobicContact CZ-CG 4.3Å; F676-A699 HydrophobicContact CB-CB 4.06Å
677	Q	96.2	Very high	95.7	Very high	19 Å²	19	27.1 Å²	27.1	9%	0.089	13%	0.127	C	C	.	.	H	α-helix	trans	-63	-43.8	176.4	-175.1	-81.5	-44.5	0	0	111.6	Y647 W673 T679 L680 Q681 S772	Y647-Q677 HydrophobicContact CD1-CG 4.27Å; Y647-Q677 HydrophobicContact CE1-CG 3.89Å; Y647-Q677 HydrophobicContact CE2-CG 4.31Å; Y647-Q677 PolarHBondContact OH-NE2 3.2Å; Y647-Q677 VanDerWaalsContact OH-NE2 3.13Å; W673-Q677 HydrophobicContact CD2-CB 4.23Å; W673-Q677 HydrophobicContact CE3-CB 4.46Å; W673-Q677 HydrophobicContact CH2-CB 4.01Å; W673-Q677 HydrophobicContact CH2-CG 4.2Å; W673-Q677 HydrophobicContact CZ2-CB 3.77Å; W673-Q677 HydrophobicContact CZ2-CG 3.75Å; W673-Q677 HydrophobicContact CZ3-CB 4.36Å; W673-Q677 WeakPolarHBondContact O-CB 3.36Å; W673-Q677 PolarHBondContact O-N 3.33Å; Q677-T679 VanDerWaalsContact C-N 3.3Å; Q677-T679 PolarHBondContact O-N 3.01Å; Q677-L680 PolarHBondContact O-N 3.49Å; Q677-Q681 WeakPolarHBondContact O-CB 3.46Å; Q677-Q681 PolarHBondContact O-N 3.39Å; Q677-S772 PolarHBondContact OE1-OG 3.37Å
678	Y	94.9	Very high	95.8	Very high	75 Å²	75	25.4 Å²	25.4	29%	0.294	12%	0.117	S	C	.	.	H	α-helix	trans	-56.7	-45.6	173.5	176.1	-88.1	0	0	0	111.3	T674 L675 L680 Q681 H682 E683 N759	T674-Y678 VanDerWaalsContact O-CB 3.25Å; T674-Y678 WeakPolarHBondContact O-CB 3.34Å; T674-Y678 PolarHBondContact O-N 3.25Å; L675-Y678 PolarHBondContact O-N 3.17Å; Y678-L680 PolarHBondContact O-N 2.89Å; Y678-Q681 PolarHBondContact O-N 3.07Å; Y678-H682 AromaticContact CD2-CD2 3.4Å; Y678-H682 VanDerWaalsContact CD2-CD2 3.4Å; Y678-H682 WeakPolarHBondContact CD2-CD2 3.27Å; Y678-H682 HydrophobicContact CE1-CB 4.35Å; Y678-H682 HydrophobicContact CE2-CB 4.23Å; Y678-H682 AromaticContact CE2-CD2 3.48Å; Y678-H682 VanDerWaalsContact CE2-CD2 3.48Å; Y678-H682 WeakPolarHBondContact CE2-CD2 3.4Å; Y678-H682 PolarHBondContact O-N 3.43Å; Y678-E683 HydrophobicContact CE1-CG 4.4Å; Y678-N759 HydrophobicContact CE1-CB 4.28Å
679	T	96.8	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-45.9	179.4	-54.3	0	0	0	0	111.3	L675 F676 Q677 Q681 E683 Y684 L686 L695 F752 L756	L675-T679 WeakPolarHBondContact O-CB 3.36Å; L675-T679 PolarHBondContact O-N 2.99Å; L675-T679 PolarHBondContact O-OG1 3.09Å; F676-T679 WeakPolarHBondContact O-CB 3.3Å; F676-T679 PolarHBondContact O-N 3.43Å; Q677-T679 VanDerWaalsContact C-N 3.3Å; Q677-T679 PolarHBondContact O-N 3.01Å; T679-Q681 VanDerWaalsContact C-N 3.3Å; T679-Q681 PolarHBondContact O-N 3.43Å; T679-E683 HydrophobicContact CG2-CB 4.24Å; T679-E683 CarbonylContact O-C 3.31Å; T679-E683 VanDerWaalsContact O-CA 3.3Å; T679-E683 WeakPolarHBondContact O-CA 3.28Å; T679-E683 WeakPolarHBondContact O-CB 3.42Å; T679-E683 PolarHBondContact O-N 3.06Å; T679-Y684 PolarHBondContact O-N 2.81Å; T679-L686 HydrophobicContact CG2-CD1 3.81Å; T679-L695 HydrophobicContact CG2-CD2 3.76Å; T679-L695 HydrophobicContact CG2-CG 4.46Å; T679-F752 HydrophobicContact CG2-CE2 4.39Å; T679-L756 HydrophobicContact CG2-CD1 3.82Å
680	L	95.6	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-29.7	179.1	-67.8	173.6	0	0	0	113.3	Y643 L646 Y647 A650 F676 Q677 Y678 M687 L692 L695	Y643-L680 WeakPolarHBondContact CE1-O 3.14Å; Y643-L680 PolarHBondContact OH-O 3.46Å; L646-L680 HydrophobicContact CD2-CD1 4.28Å; Y647-L680 HydrophobicContact CD1-CD1 4.16Å; Y647-L680 HydrophobicContact CE1-CB 4Å; Y647-L680 HydrophobicContact CE1-CD1 4.18Å; A650-L680 HydrophobicContact CB-CD1 4.28Å; F676-L680 HydrophobicContact CD2-CD1 4.1Å; F676-L680 HydrophobicContact CD2-CG 4.09Å; F676-L680 HydrophobicContact CE2-CD1 3.82Å; F676-L680 HydrophobicContact CE2-CD2 4.09Å; F676-L680 HydrophobicContact CE2-CG 3.92Å; F676-L680 HydrophobicContact CZ-CD1 4.16Å; F676-L680 WeakPolarHBondContact O-CG 3.41Å; F676-L680 PolarHBondContact O-N 3.15Å; Q677-L680 PolarHBondContact O-N 3.49Å; Y678-L680 PolarHBondContact O-N 2.89Å; L680-M687 HydrophobicContact CD2-CG 3.76Å; L680-M687 HydrophobicContact CD2-SD 3.89Å; L680-L692 HydrophobicContact CD1-CD1 3.85Å; L680-L692 HydrophobicContact CD2-CD1 3.73Å; L680-L692 HydrophobicContact CG-CD1 4.41Å; L680-L695 HydrophobicContact CD2-CD2 4.18Å
681	Q	91.9	Very high	96	Very high	33 Å²	33	26.7 Å²	26.7	15%	0.154	12%	0.121	C	C	.	.	H	α-helix	trans	-85.1	-45.8	-177.7	-169.9	172.2	-10.6	0	0	112.8	Y647 Q677 Y678 T679	Y647-Q681 WeakPolarHBondContact OH-CB 3.33Å; Q677-Q681 WeakPolarHBondContact O-CB 3.46Å; Q677-Q681 PolarHBondContact O-N 3.39Å; Y678-Q681 PolarHBondContact O-N 3.07Å; T679-Q681 VanDerWaalsContact C-N 3.3Å; T679-Q681 PolarHBondContact O-N 3.43Å
682	H	90.9	Very high	96	Very high	79 Å²	79	25.4 Å²	25.4	37%	0.366	11%	0.114	S	C	.	.	H	α-helix	trans	-107.8	-25.1	-168.1	-63.1	-66.5	0	0	0	113.3	Y678	Y678-H682 AromaticContact CD2-CD2 3.4Å; Y678-H682 VanDerWaalsContact CD2-CD2 3.4Å; Y678-H682 WeakPolarHBondContact CD2-CD2 3.27Å; Y678-H682 HydrophobicContact CE1-CB 4.35Å; Y678-H682 HydrophobicContact CE2-CB 4.23Å; Y678-H682 AromaticContact CE2-CD2 3.48Å; Y678-H682 VanDerWaalsContact CE2-CD2 3.48Å; Y678-H682 WeakPolarHBondContact CE2-CD2 3.4Å; Y678-H682 PolarHBondContact O-N 3.43Å
683	E	95.1	Very high	96	Very high	52 Å²	52	25.5 Å²	25.5	24%	0.243	12%	0.115	C	C	.	.			trans	-117.6	38.3	-179.3	-62.1	-71.3	169.5	0	0	110	Y678 T679 E685 L686 L756	Y678-E683 HydrophobicContact CE1-CG 4.4Å; T679-E683 HydrophobicContact CG2-CB 4.24Å; T679-E683 CarbonylContact O-C 3.31Å; T679-E683 VanDerWaalsContact O-CA 3.3Å; T679-E683 WeakPolarHBondContact O-CA 3.28Å; T679-E683 WeakPolarHBondContact O-CB 3.42Å; T679-E683 PolarHBondContact O-N 3.06Å; E683-E685 PolarHBondContact O-N 3.04Å; E683-E685 VanDerWaalsContact O-N 3.1Å; E683-L686 HydrophobicContact CB-CD1 4.04Å; E683-L686 VanDerWaalsContact O-CB 3.29Å; E683-L686 WeakPolarHBondContact O-CB 3.42Å; E683-L686 PolarHBondContact O-N 3.23Å; E683-L756 HydrophobicContact CB-CD2 4.38Å; E683-L756 HydrophobicContact CG-CD2 3.81Å
684	Y	94.9	Very high	96	Very high	19 Å²	19	25.9 Å²	25.9	8%	0.075	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.6	-174.8	60.4	-96.6	0	0	0	113.5	F559 L562 N563 H566 T679 L686 M687	F559-Y684 HydrophobicContact CD1-CD2 4.18Å; F559-Y684 HydrophobicContact CD1-CE2 4.34Å; F559-Y684 HydrophobicContact CE1-CD2 4.3Å; L562-Y684 HydrophobicContact CB-CD2 4.36Å; L562-Y684 HydrophobicContact CB-CE2 4.01Å; L562-Y684 HydrophobicContact CD1-CD2 3.71Å; L562-Y684 HydrophobicContact CD1-CE2 4.2Å; L562-Y684 HydrophobicContact CD1-CG 3.91Å; L562-Y684 HydrophobicContact CD2-CD1 4.38Å; L562-Y684 HydrophobicContact CD2-CG 4.49Å; N563-Y684 PolarHBondContact OD1-OH 3.37Å; N563-Y684 VanDerWaalsContact OD1-OH 3.05Å; H566-Y684 AromaticContact CD2-CE1 3.42Å; H566-Y684 VanDerWaalsContact CD2-CE1 3.42Å; H566-Y684 WeakPolarHBondContact CD2-CE1 3.34Å; H566-Y684 AromaticContact NE2-CE1 3.45Å; H566-Y684 WeakPolarHBondContact NE2-CE1 3.3Å; T679-Y684 PolarHBondContact O-N 2.81Å; Y684-L686 PolarHBondContact O-N 3.11Å; Y684-M687 WeakPolarHBondContact O-CB 3.46Å; Y684-M687 PolarHBondContact O-N 3.05Å
685	E	95.4	Very high	96.1	Very high	78 Å²	78	25.6 Å²	25.6	36%	0.364	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.7	171	-71.9	-62.5	148.3	0	0	112.6	E683 M687 R688	E683-E685 PolarHBondContact O-N 3.04Å; E683-E685 VanDerWaalsContact O-N 3.1Å; E685-M687 PolarHBondContact O-N 3.11Å; E685-R688 VanDerWaalsContact CD-NH2 3.28Å; E685-R688 VanDerWaalsContact O-CB 3.28Å; E685-R688 WeakPolarHBondContact O-CB 3.45Å; E685-R688 PolarHBondContact O-N 3.19Å; E685-R688 VanDerWaalsContact O-N 3.16Å; E685-R688 IonicContact OE1-CZ 3.18Å; E685-R688 IonicContact OE1-NH2 2.68Å; E685-R688 PolarHBondContact OE1-NH2 3.46Å; E685-R688 IonicContact OE2-CZ 3.89Å; E685-R688 VanDerWaalsContact OE2-CZ 3.23Å; E685-R688 IonicContact OE2-NE 3.34Å; E685-R688 PolarHBondContact OE2-NE 2.87Å; E685-R688 IonicContact OE2-NH2 2.87Å; E685-R688 PolarHBondContact OE2-NH2 2.87Å
686	L	96.6	Very high	96.1	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.042	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-65.5	-23.3	171.3	-73.1	173.8	0	0	0	112.8	T679 E683 Y684 R688 R690 L695 V751 K755 L756	T679-L686 HydrophobicContact CG2-CD1 3.81Å; E683-L686 HydrophobicContact CB-CD1 4.04Å; E683-L686 VanDerWaalsContact O-CB 3.29Å; E683-L686 WeakPolarHBondContact O-CB 3.42Å; E683-L686 PolarHBondContact O-N 3.23Å; Y684-L686 PolarHBondContact O-N 3.11Å; L686-R688 VanDerWaalsContact C-N 3.33Å; L686-R690 WeakPolarHBondContact O-CD 3.39Å; L686-R690 PolarHBondContact O-NH1 2.71Å; L686-L695 HydrophobicContact CB-CD2 4.19Å; L686-V751 HydrophobicContact CD2-CG1 3.84Å; L686-K755 HydrophobicContact CD1-CB 4.29Å; L686-K755 HydrophobicContact CD2-CB 4.42Å; L686-K755 HydrophobicContact CD2-CG 4.12Å; L686-L756 HydrophobicContact CD1-CD1 3.96Å; L686-L756 HydrophobicContact CD1-CG 4.19Å
687	M	97.3	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-78.1	-15.9	174.7	-77.1	-67.2	-64.4	0	0	113.3	W552 L680 Y684 E685 D689 R690 L692 L695	W552-M687 HydrophobicContact CB-CB 4.19Å; W552-M687 HydrophobicContact CB-CE 4.36Å; W552-M687 WeakPolarHBondContact CB-O 3.32Å; W552-M687 HydrophobicContact CD2-CB 3.59Å; W552-M687 HydrophobicContact CD2-CE 3.83Å; W552-M687 HydrophobicContact CD2-CG 4.14Å; W552-M687 HydrophobicContact CE3-CB 3.41Å; W552-M687 VanDerWaalsContact CE3-CB 3.41Å; W552-M687 HydrophobicContact CE3-CG 4.16Å; W552-M687 HydrophobicContact CG-CB 3.96Å; W552-M687 HydrophobicContact CG-CE 3.61Å; W552-M687 HydrophobicContact CZ2-CE 4.46Å; W552-M687 HydrophobicContact CZ3-CB 3.96Å; W552-M687 HydrophobicContact CZ3-CG 4.36Å; L680-M687 HydrophobicContact CD2-CG 3.76Å; L680-M687 HydrophobicContact CD2-SD 3.89Å; Y684-M687 WeakPolarHBondContact O-CB 3.46Å; Y684-M687 PolarHBondContact O-N 3.05Å; E685-M687 PolarHBondContact O-N 3.11Å; M687-D689 PolarHBondContact O-N 3.28Å; M687-D689 VanDerWaalsContact O-N 3.15Å; M687-R690 PolarHBondContact O-N 2.98Å; M687-L692 HydrophobicContact CE-CB 4.03Å; M687-L692 HydrophobicContact CE-CD1 4.43Å; M687-L692 HydrophobicContact SD-CD1 4.46Å; M687-L695 HydrophobicContact CG-CD2 3.85Å; M687-L695 HydrophobicContact SD-CD1 4.01Å; M687-L695 HydrophobicContact SD-CD2 3.69Å; M687-L695 HydrophobicContact SD-CG 4.37Å
688	R	96.4	Very high	96.2	Very high	64 Å²	64	24.6 Å²	24.6	24%	0.242	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	120.4	-177.7	-174.3	-178.2	-64.3	-80.6	-3.2	111.2	W552 T554 F559 E685 L686 R690	W552-R688 WeakPolarHBondContact O-CA 3.4Å; T554-R688 WeakPolarHBondContact OG1-CG 3.31Å; F559-R688 VanDerWaalsContact CD1-NH2 3.35Å; F559-R688 HydrophobicContact CE1-CB 4.24Å; F559-R688 HydrophobicContact CE2-CG 4.5Å; F559-R688 HydrophobicContact CZ-CB 3.88Å; F559-R688 HydrophobicContact CZ-CG 4.13Å; E685-R688 VanDerWaalsContact CD-NH2 3.28Å; E685-R688 VanDerWaalsContact O-CB 3.28Å; E685-R688 WeakPolarHBondContact O-CB 3.45Å; E685-R688 PolarHBondContact O-N 3.19Å; E685-R688 VanDerWaalsContact O-N 3.16Å; E685-R688 IonicContact OE1-CZ 3.18Å; E685-R688 IonicContact OE1-NH2 2.68Å; E685-R688 PolarHBondContact OE1-NH2 3.46Å; E685-R688 IonicContact OE2-CZ 3.89Å; E685-R688 VanDerWaalsContact OE2-CZ 3.23Å; E685-R688 IonicContact OE2-NE 3.34Å; E685-R688 PolarHBondContact OE2-NE 2.87Å; E685-R688 IonicContact OE2-NH2 2.87Å; E685-R688 PolarHBondContact OE2-NH2 2.87Å; L686-R688 VanDerWaalsContact C-N 3.33Å; R688-R690 PolarHBondContact O-N 2.96Å; R688-R690 VanDerWaalsContact O-N 3.1Å
689	D	96.2	Very high	96.4	Very high	62 Å²	62	21 Å²	21	33%	0.332	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	24.8	-177.1	-60.6	-50.6	0	0	0	114.3	W552 R553 T554 M687 L735	W552-D689 PolarHBondContact O-N 2.84Å; R553-D689 VanDerWaalsContact CA-OD1 3.22Å; R553-D689 WeakPolarHBondContact CA-OD1 3.16Å; T554-D689 VanDerWaalsContact CB-OD2 3.31Å; T554-D689 WeakPolarHBondContact CB-OD2 3.08Å; T554-D689 PolarHBondContact N-OD1 3.09Å; T554-D689 PolarHBondContact OG1-OD2 2.97Å; M687-D689 PolarHBondContact O-N 3.28Å; M687-D689 VanDerWaalsContact O-N 3.15Å; D689-L735 HydrophobicContact CB-CD2 3.6Å
690	R	96.4	Very high	96.5	Very high	26 Å²	26	21 Å²	21	10%	0.098	10%	0.096	C	C	.	.	S	Bend	trans	-122.1	176.9	179.6	-71.4	-164.4	-160.4	83.4	4.7	111.6	L686 M687 R688 Q694 L735 F747	L686-R690 WeakPolarHBondContact O-CD 3.39Å; L686-R690 PolarHBondContact O-NH1 2.71Å; M687-R690 PolarHBondContact O-N 2.98Å; R688-R690 PolarHBondContact O-N 2.96Å; R688-R690 VanDerWaalsContact O-N 3.1Å; R690-Q694 VanDerWaalsContact CB-OE1 3.31Å; R690-L735 HydrophobicContact CG-CB 4.19Å; R690-L735 PolarHBondContact NE-O 3.4Å; R690-L735 PolarHBondContact NH2-O 2.86Å; R690-F747 VanDerWaalsContact CD-CE2 3.44Å; R690-F747 VanDerWaalsContact NE-CE2 3.26Å
691	H	96.8	Very high	96.6	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.042	10%	0.104	C	C	.	.			trans	-112	140.4	-177.2	-168.1	-75.3	0	0	0	111.1	E548 D693 Q694 T730	E548-H691 VanDerWaalsContact CD-NE2 3.32Å; E548-H691 CarbonylContact O-C 3.47Å; E548-H691 WeakPolarHBondContact O-CA 3.18Å; E548-H691 IonicContact OE1-NE2 2.68Å; E548-H691 PolarHBondContact OE1-NE2 3.47Å; E548-H691 IonicContact OE2-CE1 3.02Å; E548-H691 IonicContact OE2-NE2 2.76Å; H691-D693 VanDerWaalsContact C-N 3.29Å; H691-D693 VanDerWaalsContact CE1-CG 3.43Å; H691-D693 IonicContact CE1-OD1 2.87Å; H691-D693 IonicContact CE1-OD2 3.74Å; H691-D693 PolarHBondContact CE1-OD2 3.23Å; H691-D693 VanDerWaalsContact CE1-OD2 3.3Å; H691-D693 WeakPolarHBondContact ND1-CB 3.21Å; H691-D693 PolarHBondContact ND1-N 3.42Å; H691-D693 IonicContact ND1-OD2 3.16Å; H691-D693 PolarHBondContact O-N 2.93Å; H691-Q694 HydrophobicContact CB-CG 4.05Å; H691-Q694 VanDerWaalsContact O-CB 3.29Å; H691-Q694 WeakPolarHBondContact O-CB 3.25Å; H691-Q694 PolarHBondContact O-N 3.39Å; H691-T730 HydrophobicContact CB-CG2 3.97Å
692	L	97.5	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-50.9	-47.2	179.8	178.7	63.6	0	0	0	112.7	E548 L646 L649 A650 F676 L680 M687 Q694 L695 M696	E548-L692 HydrophobicContact CB-CB 3.95Å; E548-L692 HydrophobicContact CB-CD2 4.32Å; E548-L692 WeakPolarHBondContact O-CB 3.42Å; E548-L692 PolarHBondContact O-N 3.2Å; L646-L692 HydrophobicContact CD1-CD1 4.13Å; L646-L692 HydrophobicContact CD1-CD2 4.05Å; L649-L692 HydrophobicContact CD2-CD2 4.15Å; L649-L692 HydrophobicContact CG-CD2 4.27Å; A650-L692 HydrophobicContact CB-CD1 4.18Å; A650-L692 HydrophobicContact CB-CD2 4.1Å; A650-L692 HydrophobicContact CB-CG 4.47Å; F676-L692 HydrophobicContact CE2-CD1 3.92Å; F676-L692 HydrophobicContact CZ-CD1 3.49Å; F676-L692 VanDerWaalsContact CZ-CD1 3.49Å; F676-L692 HydrophobicContact CZ-CG 4Å; L680-L692 HydrophobicContact CD1-CD1 3.85Å; L680-L692 HydrophobicContact CD2-CD1 3.73Å; L680-L692 HydrophobicContact CG-CD1 4.41Å; M687-L692 HydrophobicContact CE-CB 4.03Å; M687-L692 HydrophobicContact CE-CD1 4.43Å; M687-L692 HydrophobicContact SD-CD1 4.46Å; L692-Q694 PolarHBondContact O-N 3.43Å; L692-L695 PolarHBondContact O-N 3.1Å; L692-M696 PolarHBondContact O-N 3.22Å; L692-M696 VanDerWaalsContact O-N 3.09Å
693	D	97.4	Very high	97.2	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-65.2	-22.1	-178.5	-59.2	-10.2	0	0	0	113.8	R653 H691 M696 M697 Y720 T730	R653-D693 VanDerWaalsContact CD-OD1 3.27Å; R653-D693 WeakPolarHBondContact CD-OD1 3.43Å; R653-D693 IonicContact CZ-OD1 3.67Å; R653-D693 IonicContact CZ-OD2 2.62Å; R653-D693 IonicContact NE-OD1 2.71Å; R653-D693 IonicContact NH1-OD1 2.62Å; R653-D693 PolarHBondContact NH1-OD1 3.3Å; R653-D693 IonicContact NH1-OD2 2.66Å; R653-D693 PolarHBondContact NH1-OD2 2.95Å; H691-D693 VanDerWaalsContact C-N 3.29Å; H691-D693 VanDerWaalsContact CE1-CG 3.43Å; H691-D693 IonicContact CE1-OD1 2.87Å; H691-D693 IonicContact CE1-OD2 3.74Å; H691-D693 PolarHBondContact CE1-OD2 3.23Å; H691-D693 VanDerWaalsContact CE1-OD2 3.3Å; H691-D693 WeakPolarHBondContact ND1-CB 3.21Å; H691-D693 PolarHBondContact ND1-N 3.42Å; H691-D693 IonicContact ND1-OD2 3.16Å; H691-D693 PolarHBondContact O-N 2.93Å; D693-M696 HydrophobicContact CB-CE 3.92Å; D693-M696 WeakPolarHBondContact O-CB 3.13Å; D693-M696 PolarHBondContact O-N 2.82Å; D693-M697 HydrophobicContact CB-CE 4.3Å; D693-M697 WeakPolarHBondContact O-CB 3.48Å; D693-M697 VanDerWaalsContact O-CE 3.27Å; D693-M697 WeakPolarHBondContact O-CE 3.36Å; D693-M697 WeakPolarHBondContact O-CG 3.26Å; D693-M697 PolarHBondContact O-N 3.03Å; D693-Y720 HydrophobicContact CB-CE2 3.74Å; D693-Y720 WeakPolarHBondContact OD2-CE2 3.25Å; D693-Y720 PolarHBondContact OD2-OH 2.83Å; D693-T730 HydrophobicContact CB-CG2 4.09Å
694	Q	97.8	Very high	97.3	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-43.6	174	-69.1	160.3	-6.1	0	0	110.8	R690 H691 L692 S698 T730 V734 F747	R690-Q694 VanDerWaalsContact CB-OE1 3.31Å; H691-Q694 HydrophobicContact CB-CG 4.05Å; H691-Q694 VanDerWaalsContact O-CB 3.29Å; H691-Q694 WeakPolarHBondContact O-CB 3.25Å; H691-Q694 PolarHBondContact O-N 3.39Å; L692-Q694 PolarHBondContact O-N 3.43Å; Q694-S698 VanDerWaalsContact O-CB 3.3Å; Q694-S698 WeakPolarHBondContact O-CB 3.49Å; Q694-S698 PolarHBondContact O-N 2.88Å; Q694-S698 VanDerWaalsContact O-N 3.07Å; Q694-S698 PolarHBondContact O-OG 3.28Å; Q694-T730 HydrophobicContact CG-CG2 4.09Å; Q694-T730 WeakPolarHBondContact CG-O 3.29Å; Q694-T730 PolarHBondContact NE2-O 3.3Å; Q694-V734 HydrophobicContact CG-CG1 4.19Å; Q694-V734 HydrophobicContact CG-CG2 4.1Å; Q694-F747 HydrophobicContact CB-CE1 4.47Å
695	L	98.4	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.5	-38.7	175.8	-81.1	65.7	0	0	0	110.7	F676 T679 L680 L686 M687 L692 S698 A699 F747 F752	F676-L695 HydrophobicContact CD2-CB 4.2Å; F676-L695 HydrophobicContact CE2-CB 3.66Å; T679-L695 HydrophobicContact CG2-CD2 3.76Å; T679-L695 HydrophobicContact CG2-CG 4.46Å; L680-L695 HydrophobicContact CD2-CD2 4.18Å; L686-L695 HydrophobicContact CB-CD2 4.19Å; M687-L695 HydrophobicContact CG-CD2 3.85Å; M687-L695 HydrophobicContact SD-CD1 4.01Å; M687-L695 HydrophobicContact SD-CD2 3.69Å; M687-L695 HydrophobicContact SD-CG 4.37Å; L692-L695 PolarHBondContact O-N 3.1Å; L695-S698 PolarHBondContact O-N 3.46Å; L695-A699 VanDerWaalsContact O-CB 3.29Å; L695-A699 WeakPolarHBondContact O-CB 3.41Å; L695-A699 PolarHBondContact O-N 2.94Å; L695-F747 HydrophobicContact CD1-CZ 4.19Å; L695-F752 HydrophobicContact CG-CE2 4.35Å
696	M	98.1	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-54.5	175.3	-176.1	-178.5	57.9	0	0	111.7	R653 L654 L657 F676 L692 D693 S698 A699 M700 Y720	R653-M696 HydrophobicContact CB-CE 4.13Å; R653-M696 HydrophobicContact CB-SD 3.63Å; L654-M696 VanDerWaalsContact CA-SD 3.54Å; L654-M696 HydrophobicContact CB-CG 4.2Å; L654-M696 HydrophobicContact CB-SD 3.99Å; L654-M696 HydrophobicContact CD1-CG 4.2Å; L654-M696 PolarHBondContact N-SD 3.45Å; L657-M696 HydrophobicContact CD1-CE 3.46Å; L657-M696 VanDerWaalsContact CD1-CE 3.46Å; L657-M696 HydrophobicContact CD1-SD 4.21Å; L657-M696 HydrophobicContact CG-CE 4.49Å; F676-M696 HydrophobicContact CD1-CB 4.22Å; F676-M696 HydrophobicContact CD1-CG 4.23Å; F676-M696 HydrophobicContact CE1-CB 3.49Å; F676-M696 VanDerWaalsContact CE1-CB 3.49Å; F676-M696 HydrophobicContact CE1-CG 3.73Å; F676-M696 HydrophobicContact CE1-SD 4.48Å; F676-M696 HydrophobicContact CE2-CB 4.3Å; F676-M696 HydrophobicContact CZ-CB 3.55Å; F676-M696 HydrophobicContact CZ-CG 4.3Å; L692-M696 PolarHBondContact O-N 3.22Å; L692-M696 VanDerWaalsContact O-N 3.09Å; D693-M696 HydrophobicContact CB-CE 3.92Å; D693-M696 WeakPolarHBondContact O-CB 3.13Å; D693-M696 PolarHBondContact O-N 2.82Å; M696-S698 VanDerWaalsContact C-N 3.31Å; M696-S698 PolarHBondContact O-N 2.84Å; M696-A699 PolarHBondContact O-N 2.7Å; M696-M700 WeakPolarHBondContact O-CG 3.26Å; M696-M700 PolarHBondContact O-N 3.04Å; M696-Y720 HydrophobicContact CE-CE2 4.46Å
697	M	98.3	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-38.3	-179.7	-71.6	-175.2	-84.4	0	0	111.8	D693 M700 Y701 I716 V717 Y720 T730 F731 I744	D693-M697 HydrophobicContact CB-CE 4.3Å; D693-M697 WeakPolarHBondContact O-CB 3.48Å; D693-M697 VanDerWaalsContact O-CE 3.27Å; D693-M697 WeakPolarHBondContact O-CE 3.36Å; D693-M697 WeakPolarHBondContact O-CG 3.26Å; D693-M697 PolarHBondContact O-N 3.03Å; M697-M700 PolarHBondContact O-N 3.3Å; M697-Y701 PolarHBondContact O-N 3.13Å; M697-I716 HydrophobicContact CB-CG2 3.85Å; M697-I716 HydrophobicContact CG-CG2 3.54Å; M697-I716 HydrophobicContact SD-CG2 3.98Å; M697-V717 HydrophobicContact SD-CG2 4.36Å; M697-Y720 HydrophobicContact CE-CD1 4.34Å; M697-Y720 HydrophobicContact CE-CD2 4.45Å; M697-Y720 HydrophobicContact CE-CE1 4.38Å; M697-Y720 HydrophobicContact CE-CE2 4.49Å; M697-Y720 HydrophobicContact CE-CG 4.37Å; M697-Y720 HydrophobicContact SD-CD1 4.35Å; M697-Y720 HydrophobicContact SD-CD2 4.28Å; M697-Y720 HydrophobicContact SD-CG 3.99Å; M697-T730 HydrophobicContact CE-CG2 4.37Å; M697-F731 HydrophobicContact CE-CB 4.17Å; M697-I744 HydrophobicContact CB-CD1 3.68Å; M697-I744 HydrophobicContact CE-CD1 3.58Å; M697-I744 HydrophobicContact CG-CD1 4.41Å; M697-I744 HydrophobicContact SD-CD1 3.99Å
698	S	98.4	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-40.4	176.3	-60.9	0	0	0	0	112.3	Q694 L695 M696 Y701 A702	Q694-S698 VanDerWaalsContact O-CB 3.3Å; Q694-S698 WeakPolarHBondContact O-CB 3.49Å; Q694-S698 PolarHBondContact O-N 2.88Å; Q694-S698 VanDerWaalsContact O-N 3.07Å; Q694-S698 PolarHBondContact O-OG 3.28Å; L695-S698 PolarHBondContact O-N 3.46Å; M696-S698 VanDerWaalsContact C-N 3.31Å; M696-S698 PolarHBondContact O-N 2.84Å; S698-Y701 PolarHBondContact O-N 3.33Å; S698-A702 VanDerWaalsContact O-CB 3.26Å; S698-A702 WeakPolarHBondContact O-CB 3.29Å; S698-A702 PolarHBondContact O-N 3.17Å
699	A	98.3	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-41.4	175.7	0	0	0	0	0	111.9	I672 L675 F676 L695 M696 A702 I703 F752	I672-A699 HydrophobicContact CG2-CB 4.24Å; L675-A699 HydrophobicContact CD2-CB 4.09Å; L675-A699 HydrophobicContact CG-CB 4.38Å; F676-A699 HydrophobicContact CB-CB 4.06Å; L695-A699 VanDerWaalsContact O-CB 3.29Å; L695-A699 WeakPolarHBondContact O-CB 3.41Å; L695-A699 PolarHBondContact O-N 2.94Å; M696-A699 PolarHBondContact O-N 2.7Å; A699-A702 PolarHBondContact O-N 2.85Å; A699-I703 WeakPolarHBondContact O-CG1 3.4Å; A699-I703 PolarHBondContact O-N 3.47Å; A699-I703 VanDerWaalsContact O-N 3.07Å; A699-F752 HydrophobicContact CB-CZ 4.3Å
700	M	98.3	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-53	173.2	-71.9	-177.3	72.7	0	0	111	L654 L657 L661 L662 I672 M696 M697 A702 I703 C704 I716	L654-M700 HydrophobicContact CD1-CG 3.58Å; L654-M700 HydrophobicContact CD1-SD 3.87Å; L657-M700 HydrophobicContact CB-CE 3.86Å; L657-M700 HydrophobicContact CB-SD 3.78Å; L657-M700 HydrophobicContact CD1-SD 3.78Å; L657-M700 HydrophobicContact CG-SD 4.45Å; L661-M700 HydrophobicContact CD1-CE 4.15Å; L662-M700 HydrophobicContact CD1-CE 4.13Å; I672-M700 HydrophobicContact CD1-CG 4.3Å; I672-M700 HydrophobicContact CG2-CB 4.42Å; I672-M700 HydrophobicContact CG2-CG 3.82Å; M696-M700 WeakPolarHBondContact O-CG 3.26Å; M696-M700 PolarHBondContact O-N 3.04Å; M697-M700 PolarHBondContact O-N 3.3Å; M700-A702 PolarHBondContact O-N 3.21Å; M700-I703 PolarHBondContact O-N 3.12Å; M700-C704 WeakPolarHBondContact O-CB 3.39Å; M700-C704 PolarHBondContact O-N 3.49Å; M700-C704 VanDerWaalsContact O-N 3.09Å; M700-C704 PolarHBondContact O-SG 3.02Å; M700-C704 VanDerWaalsContact O-SG 3.35Å; M700-I716 HydrophobicContact CB-CD1 4.39Å
701	Y	98.2	Very high	96.7	Very high	45 Å²	45	28.2 Å²	28.2	18%	0.176	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-45.6	179.6	-179.5	-96.2	0	0	0	111.9	M697 S698 I703 K705 L711 F713 I716 Y748	M697-Y701 PolarHBondContact O-N 3.13Å; S698-Y701 PolarHBondContact O-N 3.33Å; Y701-I703 PolarHBondContact O-N 2.84Å; Y701-K705 HydrophobicContact CE1-CD 3.82Å; Y701-K705 VanDerWaalsContact O-CB 3.29Å; Y701-K705 WeakPolarHBondContact O-CB 3.43Å; Y701-K705 PolarHBondContact O-N 3Å; Y701-L711 WeakPolarHBondContact CD2-O 3.46Å; Y701-L711 WeakPolarHBondContact CE2-O 3.26Å; Y701-F713 HydrophobicContact CD1-CD2 4.18Å; Y701-F713 AromaticContact CD1-CE2 3.38Å; Y701-F713 HydrophobicContact CD1-CE2 3.38Å; Y701-F713 AromaticContact CD1-CZ 3.73Å; Y701-F713 HydrophobicContact CD1-CZ 3.73Å; Y701-F713 AromaticContact CD2-CD2 3.75Å; Y701-F713 HydrophobicContact CD2-CD2 3.75Å; Y701-F713 AromaticContact CD2-CE2 3.77Å; Y701-F713 HydrophobicContact CD2-CE2 3.77Å; Y701-F713 HydrophobicContact CD2-CG 4.27Å; Y701-F713 HydrophobicContact CD2-CZ 4.29Å; Y701-F713 HydrophobicContact CE1-CD2 4.3Å; Y701-F713 AromaticContact CE1-CE2 3.69Å; Y701-F713 HydrophobicContact CE1-CE2 3.69Å; Y701-F713 HydrophobicContact CE1-CZ 4.47Å; Y701-F713 AromaticContact CE2-CD2 3.89Å; Y701-F713 HydrophobicContact CE2-CD2 3.89Å; Y701-F713 HydrophobicContact CE2-CE2 4.07Å; Y701-F713 AromaticContact CG-CD2 3.92Å; Y701-F713 HydrophobicContact CG-CD2 3.92Å; Y701-F713 HydrophobicContact CG-CE1 4.27Å; Y701-F713 AromaticContact CG-CE2 3.43Å; Y701-F713 HydrophobicContact CG-CE2 3.43Å; Y701-F713 VanDerWaalsContact CG-CE2 3.43Å; Y701-F713 AromaticContact CG-CZ 3.63Å; Y701-F713 HydrophobicContact CG-CZ 3.63Å; Y701-I716 HydrophobicContact CD2-CD1 4.41Å; Y701-Y748 HydrophobicContact CD1-CD1 4.15Å; Y701-Y748 HydrophobicContact CD1-CD2 4.09Å; Y701-Y748 AromaticContact CD1-CE1 3.7Å; Y701-Y748 HydrophobicContact CD1-CE1 3.7Å; Y701-Y748 AromaticContact CD1-CE2 3.6Å; Y701-Y748 HydrophobicContact CD1-CE2 3.6Å; Y701-Y748 HydrophobicContact CD1-CG 4.33Å; Y701-Y748 AromaticContact CD1-CZ 3.37Å; Y701-Y748 HydrophobicContact CE1-CD1 4.03Å; Y701-Y748 AromaticContact CE1-CE1 3.38Å; Y701-Y748 HydrophobicContact CE1-CE1 3.38Å; Y701-Y748 HydrophobicContact CE1-CE2 4.16Å; Y701-Y748 AromaticContact CE1-CZ 3.43Å; Y701-Y748 VanDerWaalsContact CE1-CZ 3.43Å
702	A	97.4	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-49.3	-179.7	0	0	0	0	0	112.7	L675 S698 A699 M700 K705 V706 Y748 F752 I760	L675-A702 HydrophobicContact CD2-CB 4.08Å; S698-A702 VanDerWaalsContact O-CB 3.26Å; S698-A702 WeakPolarHBondContact O-CB 3.29Å; S698-A702 PolarHBondContact O-N 3.17Å; A699-A702 PolarHBondContact O-N 2.85Å; M700-A702 PolarHBondContact O-N 3.21Å; A702-K705 PolarHBondContact O-N 3.05Å; A702-V706 PolarHBondContact O-N 3.3Å; A702-V706 VanDerWaalsContact O-N 3.14Å; A702-Y748 HydrophobicContact CB-CE2 4.13Å; A702-F752 HydrophobicContact CB-CE1 4.24Å; A702-I760 HydrophobicContact CB-CD1 3.89Å; A702-I760 HydrophobicContact CB-CG1 4.25Å; A702-I760 HydrophobicContact CB-CG2 4.21Å
703	I	97.4	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-44.1	-178	-67.1	-56.8	0	0	0	111.5	L668 I671 I672 L675 A699 M700 Y701 K705 V706 K707 H763	L668-I703 HydrophobicContact CD2-CG2 4.36Å; I671-I703 HydrophobicContact CB-CG2 4.21Å; I671-I703 HydrophobicContact CG2-CD1 4.08Å; I671-I703 HydrophobicContact CG2-CG1 4.4Å; I671-I703 HydrophobicContact CG2-CG2 3.74Å; I672-I703 HydrophobicContact CG1-CB 3.73Å; I672-I703 HydrophobicContact CG1-CG1 4.14Å; I672-I703 HydrophobicContact CG1-CG2 3.78Å; L675-I703 HydrophobicContact CB-CD1 4.15Å; L675-I703 HydrophobicContact CB-CG1 4.23Å; L675-I703 HydrophobicContact CD2-CD1 3.77Å; L675-I703 HydrophobicContact CD2-CG1 3.78Å; A699-I703 WeakPolarHBondContact O-CG1 3.4Å; A699-I703 PolarHBondContact O-N 3.47Å; A699-I703 VanDerWaalsContact O-N 3.07Å; M700-I703 PolarHBondContact O-N 3.12Å; Y701-I703 PolarHBondContact O-N 2.84Å; I703-K705 VanDerWaalsContact C-N 3.26Å; I703-K705 PolarHBondContact O-N 2.77Å; I703-V706 HydrophobicContact CD1-CG2 4.43Å; I703-V706 WeakPolarHBondContact O-CG2 3.39Å; I703-V706 PolarHBondContact O-N 2.95Å; I703-K707 HydrophobicContact CG2-CG 4.24Å; I703-K707 WeakPolarHBondContact O-CB 3.45Å; I703-K707 WeakPolarHBondContact O-CG 3.44Å; I703-K707 PolarHBondContact O-N 3.08Å; I703-H763 HydrophobicContact CD1-CB 4.06Å
704	C	97.3	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-42.3	175.4	-70.7	0	0	0	0	111.2	M700 V706 K707 S708 V709 L711	M700-C704 WeakPolarHBondContact O-CB 3.39Å; M700-C704 PolarHBondContact O-N 3.49Å; M700-C704 VanDerWaalsContact O-N 3.09Å; M700-C704 PolarHBondContact O-SG 3.02Å; M700-C704 VanDerWaalsContact O-SG 3.35Å; C704-V706 PolarHBondContact O-N 3.12Å; C704-K707 CarbonylContact O-C 3.27Å; C704-K707 PolarHBondContact O-N 3.22Å; C704-S708 PolarHBondContact O-N 2.97Å; C704-V709 CarbonylContact C-O 3.55Å; C704-V709 HydrophobicContact CB-CB 4.23Å; C704-V709 PolarHBondContact O-N 3.41Å; C704-L711 HydrophobicContact CB-CB 3.79Å; C704-L711 HydrophobicContact CB-CD2 4.18Å; C704-L711 VanDerWaalsContact SG-CD2 3.57Å
705	K	95.6	Very high	95.6	Very high	111 Å²	111	44.3 Å²	44.3	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-45.6	178.3	-171.3	171.6	-174.4	170.8	0	113	Y701 A702 I703 K707 S708	Y701-K705 HydrophobicContact CE1-CD 3.82Å; Y701-K705 VanDerWaalsContact O-CB 3.29Å; Y701-K705 WeakPolarHBondContact O-CB 3.43Å; Y701-K705 PolarHBondContact O-N 3Å; A702-K705 PolarHBondContact O-N 3.05Å; I703-K705 VanDerWaalsContact C-N 3.26Å; I703-K705 PolarHBondContact O-N 2.77Å; K705-K707 VanDerWaalsContact C-N 3.33Å; K705-S708 PolarHBondContact O-N 3.36Å
706	V	95.3	Very high	95.4	Very high	37 Å²	37	44.3 Å²	44.3	22%	0.224	22%	0.22	C	C	.	.	H	α-helix	trans	-76.8	-19.4	178.9	-60.9	0	0	0	0	113.9	A702 I703 C704 S708 I760 A764	A702-V706 PolarHBondContact O-N 3.3Å; A702-V706 VanDerWaalsContact O-N 3.14Å; I703-V706 HydrophobicContact CD1-CG2 4.43Å; I703-V706 WeakPolarHBondContact O-CG2 3.39Å; I703-V706 PolarHBondContact O-N 2.95Å; C704-V706 PolarHBondContact O-N 3.12Å; V706-S708 VanDerWaalsContact C-N 3.3Å; V706-I760 HydrophobicContact CG1-CG2 3.61Å; V706-I760 HydrophobicContact CG2-CG2 4.34Å; V706-A764 HydrophobicContact CB-CB 4.2Å
707	K	93.9	Very high	95	Very high	80 Å²	80	45.2 Å²	45.2	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.1	171.5	-66.3	-68.8	178.8	-175	0	113.1	L668 I703 C704 K705 V709 H763	L668-K707 HydrophobicContact CD2-CB 3.98Å; L668-K707 HydrophobicContact CD2-CG 3.79Å; I703-K707 HydrophobicContact CG2-CG 4.24Å; I703-K707 WeakPolarHBondContact O-CB 3.45Å; I703-K707 WeakPolarHBondContact O-CG 3.44Å; I703-K707 PolarHBondContact O-N 3.08Å; C704-K707 CarbonylContact O-C 3.27Å; C704-K707 PolarHBondContact O-N 3.22Å; K705-K707 VanDerWaalsContact C-N 3.33Å; K707-V709 PolarHBondContact O-N 3.01Å; K707-H763 WeakPolarHBondContact CE-O 3.25Å; K707-H763 PolarHBondContact NZ-O 3.4Å
708	S	93	Very high	94.5	Very high	115 Å²	115	48.5 Å²	48.5	80%	0.804	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	32	178.7	-54.5	0	0	0	0	114	C704 K705 V706	C704-S708 PolarHBondContact O-N 2.97Å; K705-S708 PolarHBondContact O-N 3.36Å; V706-S708 VanDerWaalsContact C-N 3.3Å
709	V	95.3	Very high	94.1	Very high	27 Å²	27	48.9 Å²	48.9	16%	0.164	25%	0.252	C	S	.	.			trans	-96.7	123.3	170.7	175.5	0	0	0	0	108.8	L662 L668 C704 K707 L711	L662-V709 HydrophobicContact CD2-CG1 4.4Å; L668-V709 HydrophobicContact CD1-CB 4.31Å; L668-V709 HydrophobicContact CD1-CG1 4.46Å; L668-V709 HydrophobicContact CD1-CG2 3.95Å; C704-V709 CarbonylContact C-O 3.55Å; C704-V709 HydrophobicContact CB-CB 4.23Å; C704-V709 PolarHBondContact O-N 3.41Å; K707-V709 PolarHBondContact O-N 3.01Å; V709-L711 PolarHBondContact O-N 3.49Å
710	D	93.3	Very high	93.7	Very high	142 Å²	142	49 Å²	49	76%	0.759	25%	0.252	S	S	*	.			trans	-72.5	96.7	179.4	-175.9	24.6	0	0	0	110.9
711	L	95	Very high	93.1	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	27%	0.266	C	S	.	.			trans	-127.3	110.2	172.8	-176.2	67.5	0	0	0	108.9	L661 L662 Y701 C704 V709 I716	L661-L711 HydrophobicContact CB-CD1 4.28Å; L661-L711 HydrophobicContact CD1-CD1 4.4Å; L662-L711 HydrophobicContact CD2-CD2 4.3Å; Y701-L711 WeakPolarHBondContact CD2-O 3.46Å; Y701-L711 WeakPolarHBondContact CE2-O 3.26Å; C704-L711 HydrophobicContact CB-CB 3.79Å; C704-L711 HydrophobicContact CB-CD2 4.18Å; C704-L711 VanDerWaalsContact SG-CD2 3.57Å; V709-L711 PolarHBondContact O-N 3.49Å; L711-I716 HydrophobicContact CD1-CG1 4.06Å; L711-I716 HydrophobicContact CD2-CD1 3.71Å; L711-I716 HydrophobicContact CD2-CG1 3.76Å; L711-I716 HydrophobicContact CG-CD1 3.91Å; L711-I716 HydrophobicContact CG-CG1 3.76Å
712	R	93.6	Very high	92.3	Very high	153 Å²	153	55.8 Å²	55.8	58%	0.577	29%	0.289	S	S	*	.			trans	-89.3	148.6	179.2	-62.4	-175.5	-69.4	169.1	-3	111.3	K714 S715 I716	R712-K714 PolarHBondContact O-N 3.09Å; R712-S715 WeakPolarHBondContact O-CB 3.42Å; R712-S715 PolarHBondContact O-N 3.38Å; R712-I716 PolarHBondContact O-N 3.07Å
713	F	92.9	Very high	91.6	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.057	29%	0.293	C	S	.	.	H	α-helix	trans	-54.3	-36.7	174.3	-88	-70.8	0	0	0	113	Y701 S715 I716 V717 I744 I745 Y748	Y701-F713 HydrophobicContact CD1-CD2 4.18Å; Y701-F713 AromaticContact CD1-CE2 3.38Å; Y701-F713 HydrophobicContact CD1-CE2 3.38Å; Y701-F713 AromaticContact CD1-CZ 3.73Å; Y701-F713 HydrophobicContact CD1-CZ 3.73Å; Y701-F713 AromaticContact CD2-CD2 3.75Å; Y701-F713 HydrophobicContact CD2-CD2 3.75Å; Y701-F713 AromaticContact CD2-CE2 3.77Å; Y701-F713 HydrophobicContact CD2-CE2 3.77Å; Y701-F713 HydrophobicContact CD2-CG 4.27Å; Y701-F713 HydrophobicContact CD2-CZ 4.29Å; Y701-F713 HydrophobicContact CE1-CD2 4.3Å; Y701-F713 AromaticContact CE1-CE2 3.69Å; Y701-F713 HydrophobicContact CE1-CE2 3.69Å; Y701-F713 HydrophobicContact CE1-CZ 4.47Å; Y701-F713 AromaticContact CE2-CD2 3.89Å; Y701-F713 HydrophobicContact CE2-CD2 3.89Å; Y701-F713 HydrophobicContact CE2-CE2 4.07Å; Y701-F713 AromaticContact CG-CD2 3.92Å; Y701-F713 HydrophobicContact CG-CD2 3.92Å; Y701-F713 HydrophobicContact CG-CE1 4.27Å; Y701-F713 AromaticContact CG-CE2 3.43Å; Y701-F713 HydrophobicContact CG-CE2 3.43Å; Y701-F713 VanDerWaalsContact CG-CE2 3.43Å; Y701-F713 AromaticContact CG-CZ 3.63Å; Y701-F713 HydrophobicContact CG-CZ 3.63Å; F713-S715 VanDerWaalsContact C-N 3.28Å; F713-S715 PolarHBondContact O-N 3.47Å; F713-I716 HydrophobicContact CD1-CD1 4.48Å; F713-I716 PolarHBondContact O-N 3.48Å; F713-I716 VanDerWaalsContact O-N 3.15Å; F713-V717 WeakPolarHBondContact O-CB 3.38Å; F713-V717 WeakPolarHBondContact O-CG2 3.48Å; F713-V717 PolarHBondContact O-N 3.14Å; F713-I744 HydrophobicContact CD1-CG2 4.01Å; F713-I744 HydrophobicContact CE1-CD1 4.39Å; F713-I744 HydrophobicContact CE1-CG1 4.19Å; F713-I744 HydrophobicContact CE1-CG2 4.29Å; F713-I745 HydrophobicContact CB-CD1 4.04Å; F713-I745 HydrophobicContact CB-CG1 3.91Å; F713-I745 HydrophobicContact CD2-CG1 3.84Å; F713-I745 HydrophobicContact CG-CG1 3.87Å; F713-Y748 AromaticContact CE2-CD1 3.92Å; F713-Y748 HydrophobicContact CE2-CD1 3.92Å; F713-Y748 HydrophobicContact CE2-CD2 4.42Å; F713-Y748 AromaticContact CE2-CG 3.84Å; F713-Y748 HydrophobicContact CE2-CG 3.84Å; F713-Y748 HydrophobicContact CZ-CD1 4.25Å; F713-Y748 AromaticContact CZ-CD2 3.99Å; F713-Y748 HydrophobicContact CZ-CD2 3.99Å; F713-Y748 AromaticContact CZ-CG 3.69Å; F713-Y748 HydrophobicContact CZ-CG 3.69Å
714	K	88.3	Confident	90.7	Very high	148 Å²	148	62.6 Å²	62.6	64%	0.643	33%	0.329	S	S	*	.	H	α-helix	trans	-55.3	-42.7	174.9	-174.6	171.4	-179	170.6	0	112.2	R712 S718	R712-K714 PolarHBondContact O-N 3.09Å; K714-S718 VanDerWaalsContact O-CB 3.25Å; K714-S718 WeakPolarHBondContact O-CB 3.34Å; K714-S718 PolarHBondContact O-N 3.41Å
715	S	91	Very high	89.4	Confident	44 Å²	44	67 Å²	67	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-42.9	177.3	-52.4	0	0	0	0	111.7	R712 F713 S718 A719	R712-S715 WeakPolarHBondContact O-CB 3.42Å; R712-S715 PolarHBondContact O-N 3.38Å; F713-S715 VanDerWaalsContact C-N 3.28Å; F713-S715 PolarHBondContact O-N 3.47Å; S715-S718 PolarHBondContact O-N 3.29Å; S715-A719 PolarHBondContact O-N 3.46Å
716	I	94.4	Very high	88.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-52.8	178.7	-60.2	174.2	0	0	0	110.7	L661 M697 M700 Y701 L711 R712 F713 S718 A719 Y720	L661-I716 HydrophobicContact CD1-CB 4.39Å; L661-I716 HydrophobicContact CD1-CG1 4.2Å; M697-I716 HydrophobicContact CB-CG2 3.85Å; M697-I716 HydrophobicContact CG-CG2 3.54Å; M697-I716 HydrophobicContact SD-CG2 3.98Å; M700-I716 HydrophobicContact CB-CD1 4.39Å; Y701-I716 HydrophobicContact CD2-CD1 4.41Å; L711-I716 HydrophobicContact CD1-CG1 4.06Å; L711-I716 HydrophobicContact CD2-CD1 3.71Å; L711-I716 HydrophobicContact CD2-CG1 3.76Å; L711-I716 HydrophobicContact CG-CD1 3.91Å; L711-I716 HydrophobicContact CG-CG1 3.76Å; R712-I716 PolarHBondContact O-N 3.07Å; F713-I716 HydrophobicContact CD1-CD1 4.48Å; F713-I716 PolarHBondContact O-N 3.48Å; F713-I716 VanDerWaalsContact O-N 3.15Å; I716-S718 VanDerWaalsContact C-N 3.32Å; I716-S718 PolarHBondContact O-N 3.3Å; I716-A719 PolarHBondContact O-N 3.44Å; I716-Y720 WeakPolarHBondContact O-CB 3.27Å; I716-Y720 PolarHBondContact O-N 3.21Å
717	V	91	Very high	87.7	Confident	19 Å²	19	63.2 Å²	63.2	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-39.5	-179.4	167.8	0	0	0	0	111.2	M697 F713 A719 Y720 K721 F731 I744	M697-V717 HydrophobicContact SD-CG2 4.36Å; F713-V717 WeakPolarHBondContact O-CB 3.38Å; F713-V717 WeakPolarHBondContact O-CG2 3.48Å; F713-V717 PolarHBondContact O-N 3.14Å; V717-A719 PolarHBondContact O-N 3.35Å; V717-Y720 WeakPolarHBondContact O-CB 3.48Å; V717-Y720 PolarHBondContact O-N 3.02Å; V717-K721 WeakPolarHBondContact O-CG 3.4Å; V717-K721 PolarHBondContact O-N 3.33Å; V717-F731 HydrophobicContact CB-CD2 4.39Å; V717-F731 HydrophobicContact CB-CG 4.43Å; V717-F731 HydrophobicContact CG1-CD1 3.8Å; V717-F731 HydrophobicContact CG1-CD2 3.43Å; V717-F731 VanDerWaalsContact CG1-CD2 3.43Å; V717-F731 HydrophobicContact CG1-CE1 3.61Å; V717-F731 HydrophobicContact CG1-CE2 3.25Å; V717-F731 HydrophobicContact CG1-CG 3.73Å; V717-F731 HydrophobicContact CG1-CZ 3.37Å; V717-F731 HydrophobicContact CG2-CB 4.03Å; V717-F731 HydrophobicContact CG2-CD1 4.33Å; V717-F731 HydrophobicContact CG2-CD2 4Å; V717-F731 HydrophobicContact CG2-CG 3.85Å; V717-I744 HydrophobicContact CG2-CG2 4.34Å
718	S	86.5	Confident	87.1	Confident	69 Å²	69	61.5 Å²	61.5	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-39.8	176.2	-173.2	0	0	0	0	112.7	K714 S715 I716	K714-S718 VanDerWaalsContact O-CB 3.25Å; K714-S718 WeakPolarHBondContact O-CB 3.34Å; K714-S718 PolarHBondContact O-N 3.41Å; S715-S718 PolarHBondContact O-N 3.29Å; I716-S718 VanDerWaalsContact C-N 3.32Å; I716-S718 PolarHBondContact O-N 3.3Å
719	A	89.9	Confident	86.4	Confident	9 Å²	9	56.8 Å²	56.8	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-73.6	-33.6	175	0	0	0	0	0	112.2	L657 L661 S715 I716 V717 K721 N722	L657-A719 HydrophobicContact CD2-CB 4.07Å; L661-A719 HydrophobicContact CD1-CB 3.85Å; L661-A719 HydrophobicContact CD2-CB 3.72Å; L661-A719 HydrophobicContact CG-CB 3.78Å; S715-A719 PolarHBondContact O-N 3.46Å; I716-A719 PolarHBondContact O-N 3.44Å; V717-A719 PolarHBondContact O-N 3.35Å; A719-K721 VanDerWaalsContact C-N 3.34Å; A719-K721 PolarHBondContact O-N 3.49Å; A719-N722 WeakPolarHBondContact O-CB 3.41Å; A719-N722 PolarHBondContact O-N 3.34Å; A719-N722 VanDerWaalsContact O-N 3.11Å
720	Y	90.6	Very high	86.2	Confident	2 Å²	2	56 Å²	56	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-42.1	174.9	-179.3	-104.8	0	0	0	112	L657 D693 M696 M697 I716 V717 N722 M723 T726 T730 F731	L657-Y720 HydrophobicContact CD1-CD2 4.43Å; D693-Y720 HydrophobicContact CB-CE2 3.74Å; D693-Y720 WeakPolarHBondContact OD2-CE2 3.25Å; D693-Y720 PolarHBondContact OD2-OH 2.83Å; M696-Y720 HydrophobicContact CE-CE2 4.46Å; M697-Y720 HydrophobicContact CE-CD1 4.34Å; M697-Y720 HydrophobicContact CE-CD2 4.45Å; M697-Y720 HydrophobicContact CE-CE1 4.38Å; M697-Y720 HydrophobicContact CE-CE2 4.49Å; M697-Y720 HydrophobicContact CE-CG 4.37Å; M697-Y720 HydrophobicContact SD-CD1 4.35Å; M697-Y720 HydrophobicContact SD-CD2 4.28Å; M697-Y720 HydrophobicContact SD-CG 3.99Å; I716-Y720 WeakPolarHBondContact O-CB 3.27Å; I716-Y720 PolarHBondContact O-N 3.21Å; V717-Y720 WeakPolarHBondContact O-CB 3.48Å; V717-Y720 PolarHBondContact O-N 3.02Å; Y720-N722 PolarHBondContact O-N 3.09Å; Y720-M723 HydrophobicContact CD2-SD 3.85Å; Y720-M723 HydrophobicContact CE2-SD 4.41Å; Y720-M723 WeakPolarHBondContact O-CB 3.43Å; Y720-M723 PolarHBondContact O-N 3.16Å; Y720-T726 HydrophobicContact CD1-CG2 4.27Å; Y720-T726 HydrophobicContact CD2-CG2 4.03Å; Y720-T726 HydrophobicContact CE1-CG2 3.82Å; Y720-T726 HydrophobicContact CE2-CG2 3.54Å; Y720-T726 HydrophobicContact CG-CG2 4.37Å; Y720-T726 VanDerWaalsContact CZ-CG2 3.42Å; Y720-T726 WeakPolarHBondContact O-CG2 3.36Å; Y720-T726 PolarHBondContact O-OG1 3.24Å; Y720-T730 HydrophobicContact CE1-CG2 4.38Å; Y720-F731 AromaticContact CD1-CD1 3.79Å; Y720-F731 HydrophobicContact CD1-CD1 3.79Å; Y720-F731 AromaticContact CD1-CE1 3.98Å; Y720-F731 HydrophobicContact CD1-CE1 3.98Å; Y720-F731 HydrophobicContact CE1-CD1 4.1Å; Y720-F731 HydrophobicContact CE1-CE1 4.4Å
721	K	84.7	Confident	85.9	Confident	65 Å²	65	49.8 Å²	49.8	28%	0.283	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.1	174.3	-72.1	178.9	-179.8	-169.6	0	113.5	V717 A719 Q728 F731	V717-K721 WeakPolarHBondContact O-CG 3.4Å; V717-K721 PolarHBondContact O-N 3.33Å; A719-K721 VanDerWaalsContact C-N 3.34Å; A719-K721 PolarHBondContact O-N 3.49Å; K721-Q728 VanDerWaalsContact CE-OE1 3.24Å; K721-Q728 VanDerWaalsContact NZ-OE1 3.14Å; K721-F731 HydrophobicContact CD-CZ 4.47Å; K721-F731 VanDerWaalsContact CE-CZ 3.43Å; K721-F731 HydrophobicContact CG-CE1 4.24Å; K721-F731 HydrophobicContact CG-CZ 4.25Å
722	N	81.3	Confident	85.5	Confident	123 Å²	123	51 Å²	51	66%	0.658	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.6	179.5	-63.7	-28.9	0	0	0	113.5	A719 Y720	A719-N722 WeakPolarHBondContact O-CB 3.41Å; A719-N722 PolarHBondContact O-N 3.34Å; A719-N722 VanDerWaalsContact O-N 3.11Å; Y720-N722 PolarHBondContact O-N 3.09Å
723	M	83.6	Confident	85.2	Confident	19 Å²	19	47.1 Å²	47.1	9%	0.094	25%	0.253	C	S	.	.	S	Bend	trans	-80.8	149.3	175.4	-64.3	174.5	63.9	0	0	111.2	R653 T656 L657 Y660 Y720 T726	R653-M723 HydrophobicContact CB-CE 3.82Å; R653-M723 HydrophobicContact CG-CE 3.86Å; T656-M723 HydrophobicContact CG2-CG 4.34Å; L657-M723 HydrophobicContact CD1-SD 4.01Å; L657-M723 HydrophobicContact CD2-CG 4.16Å; L657-M723 HydrophobicContact CD2-SD 3.39Å; L657-M723 WeakPolarHBondContact CD2-SD 3.31Å; L657-M723 HydrophobicContact CG-CE 4.5Å; L657-M723 HydrophobicContact CG-SD 3.43Å; L657-M723 WeakPolarHBondContact CG-SD 3.32Å; Y660-M723 HydrophobicContact CE2-CG 4.48Å; Y720-M723 HydrophobicContact CD2-SD 3.85Å; Y720-M723 HydrophobicContact CE2-SD 4.41Å; Y720-M723 WeakPolarHBondContact O-CB 3.43Å; Y720-M723 PolarHBondContact O-N 3.16Å; M723-T726 HydrophobicContact CB-CG2 3.64Å; M723-T726 PolarHBondContact O-OG1 3.27Å
724	T	77.9	Confident	85.2	Confident	123 Å²	123	46.5 Å²	46.5	76%	0.755	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	142.2	177.2	55.4	0	0	0	0	111.8	T726	T724-T726 VanDerWaalsContact C-N 3.32Å; T724-T726 PolarHBondContact O-N 3.06Å
725	N	71	Confident	85.5	Confident	92 Å²	92	40.3 Å²	40.3	49%	0.492	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	34.2	175.9	-56.4	-17.8	0	0	0	114.4
726	T	78.9	Confident	85.7	Confident	40 Å²	40	39 Å²	39	25%	0.245	21%	0.214	C	C	.	.			trans	-95.5	151.3	175.2	56.2	0	0	0	0	111.9	Y720 M723 T724	Y720-T726 HydrophobicContact CD1-CG2 4.27Å; Y720-T726 HydrophobicContact CD2-CG2 4.03Å; Y720-T726 HydrophobicContact CE1-CG2 3.82Å; Y720-T726 HydrophobicContact CE2-CG2 3.54Å; Y720-T726 HydrophobicContact CG-CG2 4.37Å; Y720-T726 VanDerWaalsContact CZ-CG2 3.42Å; Y720-T726 WeakPolarHBondContact O-CG2 3.36Å; Y720-T726 PolarHBondContact O-OG1 3.24Å; M723-T726 HydrophobicContact CB-CG2 3.64Å; M723-T726 PolarHBondContact O-OG1 3.27Å; T724-T726 VanDerWaalsContact C-N 3.32Å; T724-T726 PolarHBondContact O-N 3.06Å
727	N	75.4	Confident	85.5	Confident	29 Å²	29	41.7 Å²	41.7	16%	0.155	24%	0.236	C	C	.	.			trans	-121.3	139.3	173.5	-172.2	-19.1	0	0	0	109.2	E729 T730	N727-E729 PolarHBondContact ND2-OE1 3.33Å; N727-E729 PolarHBondContact O-N 3.34Å; N727-E729 WeakPolarHBondContact OD1-CB 3.45Å; N727-E729 WeakPolarHBondContact OD1-CG 3.39Å; N727-E729 PolarHBondContact OD1-N 3.15Å; N727-T730 VanDerWaalsContact O-CB 3.29Å; N727-T730 WeakPolarHBondContact O-CB 3.47Å; N727-T730 PolarHBondContact O-N 2.98Å; N727-T730 PolarHBondContact O-OG1 2.91Å
728	Q	80.7	Confident	85.3	Confident	45 Å²	45	50.2 Å²	50.2	21%	0.21	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29	175.4	-61.5	-156.3	50.4	0	0	112.9	D125 K721 T730 F731 K732	D125-Q728 VanDerWaalsContact OD2-CD 3.27Å; D125-Q728 PolarHBondContact OD2-NE2 2.66Å; D125-Q728 PolarHBondContact OD2-OE1 3.35Å; K721-Q728 VanDerWaalsContact CE-OE1 3.24Å; K721-Q728 VanDerWaalsContact NZ-OE1 3.14Å; Q728-T730 PolarHBondContact O-N 3.5Å; Q728-T730 VanDerWaalsContact O-N 3.13Å; Q728-F731 VanDerWaalsContact CA-CE1 3.48Å; Q728-F731 HydrophobicContact CB-CE1 4.13Å; Q728-F731 HydrophobicContact CB-CE2 4.46Å; Q728-F731 HydrophobicContact CB-CZ 3.7Å; Q728-F731 HydrophobicContact CG-CE1 4.34Å; Q728-F731 HydrophobicContact CG-CZ 3.91Å; Q728-F731 PolarHBondContact O-N 3.37Å; Q728-F731 VanDerWaalsContact O-N 3.16Å; Q728-K732 HydrophobicContact CB-CD 4.31Å; Q728-K732 WeakPolarHBondContact O-CG 3.48Å; Q728-K732 PolarHBondContact O-N 3.17Å
729	E	79.9	Confident	85.1	Confident	16 Å²	16	50.4 Å²	50.4	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-53.1	-34	173.9	-73.7	171.2	-135.8	0	0	112.6	M133 Q496 N727 F731 K732 N733	M133-E729 HydrophobicContact CE-CG 3.11Å; M133-E729 WeakPolarHBondContact CE-OE1 3.43Å; M133-E729 HydrophobicContact SD-CG 3.63Å; Q496-E729 PolarHBondContact NE2-OE1 3.45Å; Q496-E729 PolarHBondContact NE2-OE2 3.39Å; N727-E729 PolarHBondContact ND2-OE1 3.33Å; N727-E729 PolarHBondContact O-N 3.34Å; N727-E729 WeakPolarHBondContact OD1-CB 3.45Å; N727-E729 WeakPolarHBondContact OD1-CG 3.39Å; N727-E729 PolarHBondContact OD1-N 3.15Å; E729-F731 PolarHBondContact O-N 3.01Å; E729-F731 VanDerWaalsContact O-N 3.08Å; E729-K732 PolarHBondContact O-N 2.93Å; E729-N733 PolarHBondContact O-N 3.22Å
730	T	89.6	Confident	85.2	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-30.1	-177	-56.7	0	0	0	0	112.2	H691 D693 Q694 M697 Y720 N727 Q728 V734	H691-T730 HydrophobicContact CB-CG2 3.97Å; D693-T730 HydrophobicContact CB-CG2 4.09Å; Q694-T730 HydrophobicContact CG-CG2 4.09Å; Q694-T730 WeakPolarHBondContact CG-O 3.29Å; Q694-T730 PolarHBondContact NE2-O 3.3Å; M697-T730 HydrophobicContact CE-CG2 4.37Å; Y720-T730 HydrophobicContact CE1-CG2 4.38Å; N727-T730 VanDerWaalsContact O-CB 3.29Å; N727-T730 WeakPolarHBondContact O-CB 3.47Å; N727-T730 PolarHBondContact O-N 2.98Å; N727-T730 PolarHBondContact O-OG1 2.91Å; Q728-T730 PolarHBondContact O-N 3.5Å; Q728-T730 VanDerWaalsContact O-N 3.13Å; T730-V734 WeakPolarHBondContact O-CG2 3.47Å
731	F	88.8	Confident	85.2	Confident	10 Å²	10	59.5 Å²	59.5	4%	0.044	33%	0.325	C	S	.	.	H	α-helix	trans	-115.6	-15.3	176.5	60.3	-98.7	0	0	0	114.7	M697 V717 Y720 K721 Q728 E729 I744	M697-F731 HydrophobicContact CE-CB 4.17Å; V717-F731 HydrophobicContact CB-CD2 4.39Å; V717-F731 HydrophobicContact CB-CG 4.43Å; V717-F731 HydrophobicContact CG1-CD1 3.8Å; V717-F731 HydrophobicContact CG1-CD2 3.43Å; V717-F731 VanDerWaalsContact CG1-CD2 3.43Å; V717-F731 HydrophobicContact CG1-CE1 3.61Å; V717-F731 HydrophobicContact CG1-CE2 3.25Å; V717-F731 HydrophobicContact CG1-CG 3.73Å; V717-F731 HydrophobicContact CG1-CZ 3.37Å; V717-F731 HydrophobicContact CG2-CB 4.03Å; V717-F731 HydrophobicContact CG2-CD1 4.33Å; V717-F731 HydrophobicContact CG2-CD2 4Å; V717-F731 HydrophobicContact CG2-CG 3.85Å; Y720-F731 AromaticContact CD1-CD1 3.79Å; Y720-F731 HydrophobicContact CD1-CD1 3.79Å; Y720-F731 AromaticContact CD1-CE1 3.98Å; Y720-F731 HydrophobicContact CD1-CE1 3.98Å; Y720-F731 HydrophobicContact CE1-CD1 4.1Å; Y720-F731 HydrophobicContact CE1-CE1 4.4Å; K721-F731 HydrophobicContact CD-CZ 4.47Å; K721-F731 VanDerWaalsContact CE-CZ 3.43Å; K721-F731 HydrophobicContact CG-CE1 4.24Å; K721-F731 HydrophobicContact CG-CZ 4.25Å; Q728-F731 VanDerWaalsContact CA-CE1 3.48Å; Q728-F731 HydrophobicContact CB-CE1 4.13Å; Q728-F731 HydrophobicContact CB-CE2 4.46Å; Q728-F731 HydrophobicContact CB-CZ 3.7Å; Q728-F731 HydrophobicContact CG-CE1 4.34Å; Q728-F731 HydrophobicContact CG-CZ 3.91Å; Q728-F731 PolarHBondContact O-N 3.37Å; Q728-F731 VanDerWaalsContact O-N 3.16Å; E729-F731 PolarHBondContact O-N 3.01Å; E729-F731 VanDerWaalsContact O-N 3.08Å; F731-I744 HydrophobicContact CB-CB 4.02Å; F731-I744 HydrophobicContact CB-CD1 4.29Å; F731-I744 HydrophobicContact CB-CG2 3.9Å; F731-I744 PolarHBondContact O-N 2.71Å
732	K	85.9	Confident	85.5	Confident	41 Å²	41	59.4 Å²	59.4	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-84.7	-32	175.6	-69.6	-173.2	172.7	-174.5	0	113	D125 D129 Q728 E729 D742	D125-K732 IonicContact OD1-NZ 3.71Å; D125-K732 PolarHBondContact OD1-NZ 3.47Å; D125-K732 IonicContact OD2-NZ 2.79Å; D125-K732 PolarHBondContact OD2-NZ 3.14Å; D129-K732 WeakPolarHBondContact OD1-CE 3.28Å; D129-K732 IonicContact OD1-NZ 3.72Å; D129-K732 PolarHBondContact OD1-NZ 3.49Å; Q728-K732 HydrophobicContact CB-CD 4.31Å; Q728-K732 WeakPolarHBondContact O-CG 3.48Å; Q728-K732 PolarHBondContact O-N 3.17Å; E729-K732 PolarHBondContact O-N 2.93Å; K732-D742 CarbonylContact O-C 3.07Å
733	N	86.4	Confident	86	Confident	71 Å²	71	55.2 Å²	55.2	38%	0.38	31%	0.308	S	S	.	.	S	Bend	trans	-128.8	73.4	-170.6	-165.3	35.7	0	0	0	111.1	E729 Y741	E729-N733 PolarHBondContact O-N 3.22Å; N733-Y741 WeakPolarHBondContact OD1-CB 3.43Å
734	V	93.6	Very high	86.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.8	-175.7	-171.4	0	0	0	0	110.3	Q694 T730 I736 Y741 D742 I744 F747	Q694-V734 HydrophobicContact CG-CG1 4.19Å; Q694-V734 HydrophobicContact CG-CG2 4.1Å; T730-V734 WeakPolarHBondContact O-CG2 3.47Å; V734-I736 PolarHBondContact O-N 3.38Å; V734-Y741 VanDerWaalsContact O-CA 3.31Å; V734-Y741 WeakPolarHBondContact O-CA 3.46Å; V734-D742 WeakPolarHBondContact CA-O 3.49Å; V734-D742 WeakPolarHBondContact CB-O 3.27Å; V734-D742 PolarHBondContact N-O 2.74Å; V734-D742 PolarHBondContact O-N 3.06Å; V734-I744 HydrophobicContact CG2-CB 4.09Å; V734-F747 HydrophobicContact CB-CB 4.06Å; V734-F747 HydrophobicContact CG1-CB 3.55Å; V734-F747 HydrophobicContact CG1-CD1 4.02Å; V734-F747 HydrophobicContact CG1-CD2 3.84Å; V734-F747 HydrophobicContact CG1-CG 3.51Å
735	L	95	Very high	87.3	Confident	19 Å²	19	52.4 Å²	52.4	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	120.2	-179.8	-177.3	70.1	0	0	0	111.6	D689 R690 A737 Y741	D689-L735 HydrophobicContact CB-CD2 3.6Å; R690-L735 HydrophobicContact CG-CB 4.19Å; R690-L735 PolarHBondContact NE-O 3.4Å; R690-L735 PolarHBondContact NH2-O 2.86Å; L735-A737 WeakPolarHBondContact CD1-O 3.49Å; L735-Y741 HydrophobicContact CB-CD1 4.04Å; L735-Y741 HydrophobicContact CB-CE1 3.77Å; L735-Y741 HydrophobicContact CD1-CD1 4.32Å; L735-Y741 HydrophobicContact CD1-CD2 4.44Å; L735-Y741 HydrophobicContact CD1-CE1 3.85Å; L735-Y741 HydrophobicContact CD1-CE2 4Å; L735-Y741 HydrophobicContact CG-CE1 4.4Å
736	I	94.8	Very high	88.5	Confident	17 Å²	17	49.4 Å²	49.4	9%	0.087	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-56.2	176.8	-50.8	-55.9	0	0	0	110	V734 H740 D742 V746 F747 Q750 V751	V734-I736 PolarHBondContact O-N 3.38Å; I736-H740 PolarHBondContact N-O 2.96Å; I736-D742 HydrophobicContact CD1-CB 4.13Å; I736-D742 HydrophobicContact CG1-CB 3.75Å; I736-V746 HydrophobicContact CD1-CB 4.32Å; I736-V746 HydrophobicContact CD1-CG1 3.95Å; I736-V746 HydrophobicContact CG1-CG1 4.2Å; I736-F747 HydrophobicContact CD1-CB 3.64Å; I736-F747 VanDerWaalsContact CD1-N 3.32Å; I736-Q750 HydrophobicContact CG2-CB 4.44Å; I736-V751 HydrophobicContact CG2-CG2 4.06Å
737	A	90.3	Very high	89.4	Confident	55 Å²	55	47.5 Å²	47.5	46%	0.455	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	170.9	178	0	0	0	0	0	109.3	L735 G739 H740	L735-A737 WeakPolarHBondContact CD1-O 3.49Å; A737-G739 PolarHBondContact O-N 2.78Å; A737-G739 VanDerWaalsContact O-N 3.08Å; A737-H740 HydrophobicContact CB-CB 4.48Å; A737-H740 PolarHBondContact N-O 2.9Å; A737-H740 PolarHBondContact O-N 2.95Å; A737-H740 VanDerWaalsContact O-O 3.11Å
738	E	86.2	Confident	90.4	Very high	199 Å²	199	46.3 Å²	46.3	93%	0.93	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	118.2	-177.7	-68.4	-176.2	179.3	0	0	112.1	H740	E738-H740 PolarHBondContact O-N 2.63Å
739	G	83.8	Confident	91.2	Very high	73 Å²	73	47.9 Å²	47.9	75%	0.753	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-1.1	-178.9	0	0	0	0	0	116	A737	A737-G739 PolarHBondContact O-N 2.78Å; A737-G739 VanDerWaalsContact O-N 3.08Å
740	H	90.9	Very high	92	Very high	95 Å²	95	52.6 Å²	52.6	44%	0.44	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.3	-179.8	-176.2	55.3	0	0	0	111.8	I736 A737 E738	I736-H740 PolarHBondContact N-O 2.96Å; A737-H740 HydrophobicContact CB-CB 4.48Å; A737-H740 PolarHBondContact N-O 2.9Å; A737-H740 PolarHBondContact O-N 2.95Å; A737-H740 VanDerWaalsContact O-O 3.11Å; E738-H740 PolarHBondContact O-N 2.63Å
741	Y	90.6	Very high	92.4	Very high	107 Å²	107	53.1 Å²	53.1	42%	0.42	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.7	-179	-62.4	-102.4	0	0	0	111.2	N733 V734 L735	N733-Y741 WeakPolarHBondContact OD1-CB 3.43Å; V734-Y741 VanDerWaalsContact O-CA 3.31Å; V734-Y741 WeakPolarHBondContact O-CA 3.46Å; L735-Y741 HydrophobicContact CB-CD1 4.04Å; L735-Y741 HydrophobicContact CB-CE1 3.77Å; L735-Y741 HydrophobicContact CD1-CD1 4.32Å; L735-Y741 HydrophobicContact CD1-CD2 4.44Å; L735-Y741 HydrophobicContact CD1-CE1 3.85Å; L735-Y741 HydrophobicContact CD1-CE2 4Å; L735-Y741 HydrophobicContact CG-CE1 4.4Å
742	D	90.4	Very high	92.8	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.332	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	-178	179	-153.8	-46	0	0	0	109.8	K732 V734 I736 V746	K732-D742 CarbonylContact O-C 3.07Å; V734-D742 WeakPolarHBondContact CA-O 3.49Å; V734-D742 WeakPolarHBondContact CB-O 3.27Å; V734-D742 PolarHBondContact N-O 2.74Å; V734-D742 PolarHBondContact O-N 3.06Å; I736-D742 HydrophobicContact CD1-CB 4.13Å; I736-D742 HydrophobicContact CG1-CB 3.75Å; D742-V746 HydrophobicContact CB-CB 3.88Å; D742-V746 HydrophobicContact CB-CG1 3.9Å; D742-V746 HydrophobicContact CB-CG2 4.31Å; D742-V746 WeakPolarHBondContact OD1-CG2 3.47Å
743	S	91.8	Very high	93.2	Very high	36 Å²	36	52.6 Å²	52.6	25%	0.252	29%	0.288	S	S	.	.			trans	-59.5	157.5	176	67.5	0	0	0	0	113.5	I745 V746 F747	S743-I745 PolarHBondContact O-N 3.3Å; S743-I745 VanDerWaalsContact O-N 3.08Å; S743-V746 PolarHBondContact O-N 2.76Å; S743-V746 PolarHBondContact OG-N 2.84Å; S743-F747 PolarHBondContact O-N 3.17Å; S743-F747 VanDerWaalsContact O-N 3.08Å
744	I	95.5	Very high	93.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-26.7	174.2	-166.6	165.4	0	0	0	113.3	M697 F713 V717 F731 V734 F747 Y748	M697-I744 HydrophobicContact CB-CD1 3.68Å; M697-I744 HydrophobicContact CE-CD1 3.58Å; M697-I744 HydrophobicContact CG-CD1 4.41Å; M697-I744 HydrophobicContact SD-CD1 3.99Å; F713-I744 HydrophobicContact CD1-CG2 4.01Å; F713-I744 HydrophobicContact CE1-CD1 4.39Å; F713-I744 HydrophobicContact CE1-CG1 4.19Å; F713-I744 HydrophobicContact CE1-CG2 4.29Å; V717-I744 HydrophobicContact CG2-CG2 4.34Å; F731-I744 HydrophobicContact CB-CB 4.02Å; F731-I744 HydrophobicContact CB-CD1 4.29Å; F731-I744 HydrophobicContact CB-CG2 3.9Å; F731-I744 PolarHBondContact O-N 2.71Å; V734-I744 HydrophobicContact CG2-CB 4.09Å; I744-F747 HydrophobicContact CG1-CD1 4.47Å; I744-Y748 WeakPolarHBondContact O-CB 3.17Å; I744-Y748 PolarHBondContact O-N 2.81Å
745	I	94.9	Very high	93.7	Very high	79 Å²	79	62 Å²	62	41%	0.405	33%	0.327	S	S	.	.	H	α-helix	trans	-69.9	-43.7	178.5	-58.4	178.2	0	0	0	110.1	F713 S743 Y748 N749	F713-I745 HydrophobicContact CB-CD1 4.04Å; F713-I745 HydrophobicContact CB-CG1 3.91Å; F713-I745 HydrophobicContact CD2-CG1 3.84Å; F713-I745 HydrophobicContact CG-CG1 3.87Å; S743-I745 PolarHBondContact O-N 3.3Å; S743-I745 VanDerWaalsContact O-N 3.08Å; I745-Y748 PolarHBondContact O-N 3.15Å; I745-N749 PolarHBondContact O-N 2.9Å; I745-N749 VanDerWaalsContact O-N 3.08Å; I745-N749 PolarHBondContact O-ND2 3.3Å; I745-N749 VanDerWaalsContact O-ND2 3.09Å
746	V	95	Very high	93.8	Very high	28 Å²	28	61 Å²	61	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-44.5	176.6	175.5	0	0	0	0	110	I736 D742 S743 Y748 N749 Q750	I736-V746 HydrophobicContact CD1-CB 4.32Å; I736-V746 HydrophobicContact CD1-CG1 3.95Å; I736-V746 HydrophobicContact CG1-CG1 4.2Å; D742-V746 HydrophobicContact CB-CB 3.88Å; D742-V746 HydrophobicContact CB-CG1 3.9Å; D742-V746 HydrophobicContact CB-CG2 4.31Å; D742-V746 WeakPolarHBondContact OD1-CG2 3.47Å; S743-V746 PolarHBondContact O-N 2.76Å; S743-V746 PolarHBondContact OG-N 2.84Å; V746-Y748 VanDerWaalsContact C-N 3.32Å; V746-Y748 PolarHBondContact O-N 3.35Å; V746-N749 PolarHBondContact O-N 3.41Å; V746-Q750 HydrophobicContact CG1-CG 4.14Å; V746-Q750 WeakPolarHBondContact O-CB 3.24Å; V746-Q750 PolarHBondContact O-N 3.07Å
747	F	97.3	Very high	93.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-54.5	-47	172	166.5	-106.2	0	0	0	112.3	R690 Q694 L695 V734 I736 S743 I744 N749 V751 F752	R690-F747 VanDerWaalsContact CD-CE2 3.44Å; R690-F747 VanDerWaalsContact NE-CE2 3.26Å; Q694-F747 HydrophobicContact CB-CE1 4.47Å; L695-F747 HydrophobicContact CD1-CZ 4.19Å; V734-F747 HydrophobicContact CB-CB 4.06Å; V734-F747 HydrophobicContact CG1-CB 3.55Å; V734-F747 HydrophobicContact CG1-CD1 4.02Å; V734-F747 HydrophobicContact CG1-CD2 3.84Å; V734-F747 HydrophobicContact CG1-CG 3.51Å; I736-F747 HydrophobicContact CD1-CB 3.64Å; I736-F747 VanDerWaalsContact CD1-N 3.32Å; S743-F747 PolarHBondContact O-N 3.17Å; S743-F747 VanDerWaalsContact O-N 3.08Å; I744-F747 HydrophobicContact CG1-CD1 4.47Å; F747-N749 PolarHBondContact O-N 3.15Å; F747-V751 HydrophobicContact CD2-CB 3.79Å; F747-V751 HydrophobicContact CD2-CG1 4.22Å; F747-V751 HydrophobicContact CD2-CG2 4.19Å; F747-V751 HydrophobicContact CE2-CB 3.87Å; F747-V751 HydrophobicContact CE2-CG1 3.84Å; F747-V751 WeakPolarHBondContact O-CA 3.49Å; F747-V751 WeakPolarHBondContact O-CB 2.84Å; F747-V751 PolarHBondContact O-N 2.87Å; F747-F752 HydrophobicContact CD1-CB 4.5Å; F747-F752 HydrophobicContact CE1-CB 3.99Å; F747-F752 HydrophobicContact CE1-CD2 4.09Å; F747-F752 HydrophobicContact CE1-CG 4.42Å; F747-F752 HydrophobicContact CZ-CB 4.09Å; F747-F752 HydrophobicContact CZ-CD2 4.15Å; F747-F752 PolarHBondContact O-N 2.79Å
748	Y	98.1	Very high	93.9	Very high	5 Å²	5	68.1 Å²	68.1	2%	0.02	35%	0.35	C	S	.	.	I	π-helix	trans	-58.7	-49.1	179.5	168.4	-95.8	0	0	0	111.7	Y701 A702 F713 I744 I745 V746 F752 M753	Y701-Y748 HydrophobicContact CD1-CD1 4.15Å; Y701-Y748 HydrophobicContact CD1-CD2 4.09Å; Y701-Y748 AromaticContact CD1-CE1 3.7Å; Y701-Y748 HydrophobicContact CD1-CE1 3.7Å; Y701-Y748 AromaticContact CD1-CE2 3.6Å; Y701-Y748 HydrophobicContact CD1-CE2 3.6Å; Y701-Y748 HydrophobicContact CD1-CG 4.33Å; Y701-Y748 AromaticContact CD1-CZ 3.37Å; Y701-Y748 HydrophobicContact CE1-CD1 4.03Å; Y701-Y748 AromaticContact CE1-CE1 3.38Å; Y701-Y748 HydrophobicContact CE1-CE1 3.38Å; Y701-Y748 HydrophobicContact CE1-CE2 4.16Å; Y701-Y748 AromaticContact CE1-CZ 3.43Å; Y701-Y748 VanDerWaalsContact CE1-CZ 3.43Å; A702-Y748 HydrophobicContact CB-CE2 4.13Å; F713-Y748 AromaticContact CE2-CD1 3.92Å; F713-Y748 HydrophobicContact CE2-CD1 3.92Å; F713-Y748 HydrophobicContact CE2-CD2 4.42Å; F713-Y748 AromaticContact CE2-CG 3.84Å; F713-Y748 HydrophobicContact CE2-CG 3.84Å; F713-Y748 HydrophobicContact CZ-CD1 4.25Å; F713-Y748 AromaticContact CZ-CD2 3.99Å; F713-Y748 HydrophobicContact CZ-CD2 3.99Å; F713-Y748 AromaticContact CZ-CG 3.69Å; F713-Y748 HydrophobicContact CZ-CG 3.69Å; I744-Y748 WeakPolarHBondContact O-CB 3.17Å; I744-Y748 PolarHBondContact O-N 2.81Å; I745-Y748 PolarHBondContact O-N 3.15Å; V746-Y748 VanDerWaalsContact C-N 3.32Å; V746-Y748 PolarHBondContact O-N 3.35Å; Y748-F752 HydrophobicContact CD2-CB 4.5Å; Y748-F752 AromaticContact CD2-CD1 3.9Å; Y748-F752 HydrophobicContact CD2-CD1 3.9Å; Y748-F752 HydrophobicContact CE2-CD1 4.12Å; Y748-M753 HydrophobicContact CD1-CG 4.07Å; Y748-M753 HydrophobicContact CD2-CG 4.02Å; Y748-M753 HydrophobicContact CE1-CG 3.55Å; Y748-M753 HydrophobicContact CE1-SD 4.29Å; Y748-M753 HydrophobicContact CE2-CG 3.51Å; Y748-M753 HydrophobicContact CE2-SD 3.59Å; Y748-M753 VanDerWaalsContact CE2-SD 3.59Å; Y748-M753 HydrophobicContact CG-CG 4.29Å; Y748-M753 VanDerWaalsContact O-CB 3.25Å; Y748-M753 WeakPolarHBondContact O-CB 2.99Å; Y748-M753 VanDerWaalsContact O-CG 3.28Å; Y748-M753 WeakPolarHBondContact O-CG 3.4Å; Y748-M753 PolarHBondContact O-N 3.49Å; Y748-M753 PolarHBondContact OH-SD 2.73Å
749	N	96.3	Very high	94.1	Very high	78 Å²	78	59.6 Å²	59.6	42%	0.417	31%	0.312	S	S	.	.	I	π-helix	trans	-73.4	-42.1	-175	-70.5	-43	0	0	0	113.1	I745 V746 F747 Q754	I745-N749 PolarHBondContact O-N 2.9Å; I745-N749 VanDerWaalsContact O-N 3.08Å; I745-N749 PolarHBondContact O-ND2 3.3Å; I745-N749 VanDerWaalsContact O-ND2 3.09Å; V746-N749 PolarHBondContact O-N 3.41Å; F747-N749 PolarHBondContact O-N 3.15Å; N749-Q754 PolarHBondContact O-NE2 3.31Å; N749-Q754 VanDerWaalsContact O-NE2 3.14Å
750	Q	96.7	Very high	94.6	Very high	114 Å²	114	56.3 Å²	56.3	53%	0.533	28%	0.276	S	S	.	.	I	π-helix	trans	-91.3	-25.7	-171.3	-63.2	-171.1	8.2	0	0	113.8	I736 V746 Q754	I736-Q750 HydrophobicContact CG2-CB 4.44Å; V746-Q750 HydrophobicContact CG1-CG 4.14Å; V746-Q750 WeakPolarHBondContact O-CB 3.24Å; V746-Q750 PolarHBondContact O-N 3.07Å; Q750-Q754 WeakPolarHBondContact O-CG 3.41Å
751	V	97.4	Very high	94.7	Very high	23 Å²	23	56.3 Å²	56.3	14%	0.139	28%	0.279	C	S	.	.	I	π-helix	trans	-119.9	-62.7	-175	-174.6	0	0	0	0	111.2	L686 I736 F747 M753 Q754 K755	L686-V751 HydrophobicContact CD2-CG1 3.84Å; I736-V751 HydrophobicContact CG2-CG2 4.06Å; F747-V751 HydrophobicContact CD2-CB 3.79Å; F747-V751 HydrophobicContact CD2-CG1 4.22Å; F747-V751 HydrophobicContact CD2-CG2 4.19Å; F747-V751 HydrophobicContact CE2-CB 3.87Å; F747-V751 HydrophobicContact CE2-CG1 3.84Å; F747-V751 WeakPolarHBondContact O-CA 3.49Å; F747-V751 WeakPolarHBondContact O-CB 2.84Å; F747-V751 PolarHBondContact O-N 2.87Å; V751-M753 PolarHBondContact O-N 3.26Å; V751-Q754 PolarHBondContact O-N 3.29Å; V751-K755 PolarHBondContact O-N 3.28Å
752	F	97.8	Very high	94.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-60.4	-49.7	-172.4	-171.7	-91.3	0	0	0	111.9	T679 L695 A699 A702 F747 Y748 Q754 K755 L756 I760	T679-F752 HydrophobicContact CG2-CE2 4.39Å; L695-F752 HydrophobicContact CG-CE2 4.35Å; A699-F752 HydrophobicContact CB-CZ 4.3Å; A702-F752 HydrophobicContact CB-CE1 4.24Å; F747-F752 HydrophobicContact CD1-CB 4.5Å; F747-F752 HydrophobicContact CE1-CB 3.99Å; F747-F752 HydrophobicContact CE1-CD2 4.09Å; F747-F752 HydrophobicContact CE1-CG 4.42Å; F747-F752 HydrophobicContact CZ-CB 4.09Å; F747-F752 HydrophobicContact CZ-CD2 4.15Å; F747-F752 PolarHBondContact O-N 2.79Å; Y748-F752 HydrophobicContact CD2-CB 4.5Å; Y748-F752 AromaticContact CD2-CD1 3.9Å; Y748-F752 HydrophobicContact CD2-CD1 3.9Å; Y748-F752 HydrophobicContact CE2-CD1 4.12Å; F752-Q754 PolarHBondContact O-N 2.96Å; F752-K755 PolarHBondContact O-N 2.81Å; F752-L756 HydrophobicContact CD1-CD1 4.05Å; F752-L756 HydrophobicContact CD2-CD1 3.83Å; F752-L756 HydrophobicContact CE1-CD1 3.67Å; F752-L756 HydrophobicContact CE2-CD1 3.43Å; F752-L756 VanDerWaalsContact CE2-CD1 3.43Å; F752-L756 HydrophobicContact CG-CD1 4.13Å; F752-L756 HydrophobicContact CZ-CD1 3.34Å; F752-L756 WeakPolarHBondContact O-CB 3.45Å; F752-L756 PolarHBondContact O-N 3.48Å; F752-I760 HydrophobicContact CD1-CD1 4.43Å; F752-I760 HydrophobicContact CE1-CD1 4.03Å
753	M	95.6	Very high	94.5	Very high	39 Å²	39	53 Å²	53	19%	0.192	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-36.5	178.7	-79.5	-59.2	-60.1	0	0	112.6	Y748 V751 K755 L756 K757 I760	Y748-M753 HydrophobicContact CD1-CG 4.07Å; Y748-M753 HydrophobicContact CD2-CG 4.02Å; Y748-M753 HydrophobicContact CE1-CG 3.55Å; Y748-M753 HydrophobicContact CE1-SD 4.29Å; Y748-M753 HydrophobicContact CE2-CG 3.51Å; Y748-M753 HydrophobicContact CE2-SD 3.59Å; Y748-M753 VanDerWaalsContact CE2-SD 3.59Å; Y748-M753 HydrophobicContact CG-CG 4.29Å; Y748-M753 VanDerWaalsContact O-CB 3.25Å; Y748-M753 WeakPolarHBondContact O-CB 2.99Å; Y748-M753 VanDerWaalsContact O-CG 3.28Å; Y748-M753 WeakPolarHBondContact O-CG 3.4Å; Y748-M753 PolarHBondContact O-N 3.49Å; Y748-M753 PolarHBondContact OH-SD 2.73Å; V751-M753 PolarHBondContact O-N 3.26Å; M753-K755 VanDerWaalsContact C-N 3.25Å; M753-K755 PolarHBondContact O-N 3.11Å; M753-L756 PolarHBondContact O-N 3.3Å; M753-K757 HydrophobicContact CE-CB 4.4Å; M753-K757 HydrophobicContact CE-CG 4.43Å; M753-K757 WeakPolarHBondContact O-CA 3.37Å; M753-K757 WeakPolarHBondContact O-CB 3.35Å; M753-K757 PolarHBondContact O-N 3.41Å; M753-I760 HydrophobicContact CE-CD1 4.36Å; M753-I760 HydrophobicContact SD-CD1 3.53Å; M753-I760 VanDerWaalsContact SD-CD1 3.53Å
754	Q	94.9	Very high	94.2	Very high	140 Å²	140	54 Å²	54	65%	0.654	28%	0.276	S	S	*	.	H	α-helix	trans	-63.3	-36.5	179.6	-59.5	-53.6	-38.9	0	0	111.5	N749 Q750 V751 F752	N749-Q754 PolarHBondContact O-NE2 3.31Å; N749-Q754 VanDerWaalsContact O-NE2 3.14Å; Q750-Q754 WeakPolarHBondContact O-CG 3.41Å; V751-Q754 PolarHBondContact O-N 3.29Å; F752-Q754 PolarHBondContact O-N 2.96Å
755	K	95.5	Very high	93.8	Very high	128 Å²	128	56.6 Å²	56.6	56%	0.557	30%	0.295	S	S	*	.	H	α-helix	trans	-79.7	-41	177.2	-70.4	-68.5	-173.8	172.2	0	113.5	L686 V751 F752 M753	L686-K755 HydrophobicContact CD1-CB 4.29Å; L686-K755 HydrophobicContact CD2-CB 4.42Å; L686-K755 HydrophobicContact CD2-CG 4.12Å; V751-K755 PolarHBondContact O-N 3.28Å; F752-K755 PolarHBondContact O-N 2.81Å; M753-K755 VanDerWaalsContact C-N 3.25Å; M753-K755 PolarHBondContact O-N 3.11Å
756	L	96.2	Very high	93.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-105.4	1.3	-167.5	-65.2	171	0	0	0	115.1	T679 E683 L686 F752 M753 T758 N759 I760	T679-L756 HydrophobicContact CG2-CD1 3.82Å; E683-L756 HydrophobicContact CB-CD2 4.38Å; E683-L756 HydrophobicContact CG-CD2 3.81Å; L686-L756 HydrophobicContact CD1-CD1 3.96Å; L686-L756 HydrophobicContact CD1-CG 4.19Å; F752-L756 HydrophobicContact CD1-CD1 4.05Å; F752-L756 HydrophobicContact CD2-CD1 3.83Å; F752-L756 HydrophobicContact CE1-CD1 3.67Å; F752-L756 HydrophobicContact CE2-CD1 3.43Å; F752-L756 VanDerWaalsContact CE2-CD1 3.43Å; F752-L756 HydrophobicContact CG-CD1 4.13Å; F752-L756 HydrophobicContact CZ-CD1 3.34Å; F752-L756 WeakPolarHBondContact O-CB 3.45Å; F752-L756 PolarHBondContact O-N 3.48Å; M753-L756 PolarHBondContact O-N 3.3Å; L756-T758 VanDerWaalsContact C-N 3.31Å; L756-T758 PolarHBondContact O-N 3.01Å; L756-N759 PolarHBondContact O-N 3.08Å; L756-N759 VanDerWaalsContact O-N 3.11Å; L756-I760 HydrophobicContact CB-CD1 3.66Å; L756-I760 HydrophobicContact CB-CG1 4.07Å; L756-I760 WeakPolarHBondContact O-CB 3.3Å; L756-I760 WeakPolarHBondContact O-CD1 3.49Å; L756-I760 VanDerWaalsContact O-CG1 3.26Å; L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 2.94Å
757	K	93.8	Very high	92.5	Very high	124 Å²	124	70.3 Å²	70.3	54%	0.539	35%	0.349	S	S	.	.	H	α-helix	trans	-48.6	-49	-175.1	-178.4	175.3	-178.6	-179	0	113.3	M753 I760 L761	M753-K757 HydrophobicContact CE-CB 4.4Å; M753-K757 HydrophobicContact CE-CG 4.43Å; M753-K757 WeakPolarHBondContact O-CA 3.37Å; M753-K757 WeakPolarHBondContact O-CB 3.35Å; M753-K757 PolarHBondContact O-N 3.41Å; K757-I760 PolarHBondContact O-N 3.43Å; K757-L761 HydrophobicContact CG-CD1 4.06Å; K757-L761 VanDerWaalsContact O-CG 3.26Å; K757-L761 WeakPolarHBondContact O-CG 3.35Å; K757-L761 PolarHBondContact O-N 3.19Å; K757-L761 VanDerWaalsContact O-N 3.09Å
758	T	92.4	Very high	91.8	Very high	96 Å²	96	74 Å²	74	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-45.9	-178.4	49.7	0	0	0	0	111.5	L756 L761 Q762	L756-T758 VanDerWaalsContact C-N 3.31Å; L756-T758 PolarHBondContact O-N 3.01Å; T758-L761 PolarHBondContact O-N 2.84Å; T758-Q762 WeakPolarHBondContact O-CG 3.43Å; T758-Q762 PolarHBondContact O-N 3.01Å
759	N	92.1	Very high	91.2	Very high	21 Å²	21	75.3 Å²	75.3	11%	0.112	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177.8	-62.2	-46.3	0	0	0	111.8	Y678 L756 L761 Q762 H763	Y678-N759 HydrophobicContact CE1-CB 4.28Å; L756-N759 PolarHBondContact O-N 3.08Å; L756-N759 VanDerWaalsContact O-N 3.11Å; N759-L761 PolarHBondContact O-N 3.43Å; N759-Q762 WeakPolarHBondContact O-CB 3.49Å; N759-Q762 PolarHBondContact O-N 2.93Å; N759-H763 PolarHBondContact O-CD2 3.49Å
760	I	93.8	Very high	90.9	Very high	3 Å²	3	77.2 Å²	77.2	2%	0.015	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-43.9	178.4	-68	162.6	0	0	0	111	L675 A702 V706 F752 M753 L756 K757 Q762 H763	L675-I760 HydrophobicContact CD1-CG1 3.95Å; L675-I760 HydrophobicContact CD2-CG1 3.84Å; A702-I760 HydrophobicContact CB-CD1 3.89Å; A702-I760 HydrophobicContact CB-CG1 4.25Å; A702-I760 HydrophobicContact CB-CG2 4.21Å; V706-I760 HydrophobicContact CG1-CG2 3.61Å; V706-I760 HydrophobicContact CG2-CG2 4.34Å; F752-I760 HydrophobicContact CD1-CD1 4.43Å; F752-I760 HydrophobicContact CE1-CD1 4.03Å; M753-I760 HydrophobicContact CE-CD1 4.36Å; M753-I760 HydrophobicContact SD-CD1 3.53Å; M753-I760 VanDerWaalsContact SD-CD1 3.53Å; L756-I760 HydrophobicContact CB-CD1 3.66Å; L756-I760 HydrophobicContact CB-CG1 4.07Å; L756-I760 WeakPolarHBondContact O-CB 3.3Å; L756-I760 WeakPolarHBondContact O-CD1 3.49Å; L756-I760 VanDerWaalsContact O-CG1 3.26Å; L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 2.94Å; K757-I760 PolarHBondContact O-N 3.43Å; I760-Q762 PolarHBondContact O-N 3.37Å; I760-H763 PolarHBondContact O-N 2.77Å
761	L	92.1	Very high	90.5	Very high	95 Å²	95	76.7 Å²	76.7	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-64.7	-26.3	-179.9	-71.8	171.6	0	0	0	113.1	K757 T758 N759 H763 A764 S765	K757-L761 HydrophobicContact CG-CD1 4.06Å; K757-L761 VanDerWaalsContact O-CG 3.26Å; K757-L761 WeakPolarHBondContact O-CG 3.35Å; K757-L761 PolarHBondContact O-N 3.19Å; K757-L761 VanDerWaalsContact O-N 3.09Å; T758-L761 PolarHBondContact O-N 2.84Å; N759-L761 PolarHBondContact O-N 3.43Å; L761-H763 PolarHBondContact O-N 3.07Å; L761-A764 PolarHBondContact O-N 2.98Å; L761-A764 VanDerWaalsContact O-N 3.11Å; L761-S765 PolarHBondContact O-N 3.44Å
762	Q	90.6	Very high	90.1	Very high	91 Å²	91	76.5 Å²	76.5	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-31.5	176.2	-68.4	172.1	7.6	0	0	112.5	T758 N759 I760 A764 S765 P769	T758-Q762 WeakPolarHBondContact O-CG 3.43Å; T758-Q762 PolarHBondContact O-N 3.01Å; N759-Q762 WeakPolarHBondContact O-CB 3.49Å; N759-Q762 PolarHBondContact O-N 2.93Å; I760-Q762 PolarHBondContact O-N 3.37Å; Q762-A764 PolarHBondContact O-N 2.72Å; Q762-S765 WeakPolarHBondContact O-CB 3.41Å; Q762-S765 PolarHBondContact O-N 3.37Å; Q762-S765 VanDerWaalsContact O-N 3.08Å; Q762-P769 HydrophobicContact CB-CG 4.01Å
763	H	87.5	Confident	89.7	Confident	10 Å²	10	80 Å²	80	5%	0.046	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.1	178.1	-68.8	-79.3	0	0	0	113.8	I671 I703 K707 N759 I760 L761	I671-H763 HydrophobicContact CG2-CB 4.37Å; I703-H763 HydrophobicContact CD1-CB 4.06Å; K707-H763 WeakPolarHBondContact CE-O 3.25Å; K707-H763 PolarHBondContact NZ-O 3.4Å; N759-H763 PolarHBondContact O-CD2 3.49Å; I760-H763 PolarHBondContact O-N 2.77Å; L761-H763 PolarHBondContact O-N 3.07Å
764	A	85.6	Confident	89.2	Confident	56 Å²	56	82.1 Å²	82.1	46%	0.463	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.1	171.4	0	0	0	0	0	113.1	V706 L761 Q762	V706-A764 HydrophobicContact CB-CB 4.2Å; L761-A764 PolarHBondContact O-N 2.98Å; L761-A764 VanDerWaalsContact O-N 3.11Å; Q762-A764 PolarHBondContact O-N 2.72Å
765	S	87.2	Confident	88.7	Confident	59 Å²	59	76.6 Å²	76.6	41%	0.413	41%	0.409	S	S	.	.	S	Bend	trans	-76.2	164.1	-179.7	118	0	0	0	0	112.4	L761 Q762 R767	L761-S765 PolarHBondContact O-N 3.44Å; Q762-S765 WeakPolarHBondContact O-CB 3.41Å; Q762-S765 PolarHBondContact O-N 3.37Å; Q762-S765 VanDerWaalsContact O-N 3.08Å; S765-R767 PolarHBondContact O-N 3.38Å; S765-R767 PolarHBondContact OG-N 2.54Å; S765-R767 PolarHBondContact OG-O 3.48Å
766	I	78.8	Confident	87.4	Confident	175 Å²	175	77.7 Å²	77.7	90%	0.897	42%	0.417	S	S	*	.	S	Bend	trans	-60	-26	175.9	-56	170	0	0	0	111.6
767	R	82.3	Confident	85.5	Confident	219 Å²	219	81.8 Å²	81.8	83%	0.826	44%	0.438	S	S	*	.	S	Bend	trans	-120.1	91.2	172.8	-66.9	-176.2	-154.7	170.8	7.5	109.6	S765	S765-R767 PolarHBondContact O-N 3.38Å; S765-R767 PolarHBondContact OG-N 2.54Å; S765-R767 PolarHBondContact OG-O 3.48Å
768	P	83.3	Confident	83.4	Confident	79 Å²	79	78 Å²	78	51%	0.513	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-69.8	154.9	175.4	28.8	-33.6	0	0	0	111
769	P	85.8	Confident	81	Confident	32 Å²	32	81.6 Å²	81.6	21%	0.208	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-56.1	149.5	171.2	-23.8	33.7	0	0	0	112	Q762 L771	Q762-P769 HydrophobicContact CB-CG 4.01Å; P769-L771 PolarHBondContact O-N 3.12Å
770	P	88.7	Confident	78.4	Confident	117 Å²	117	82.3 Å²	82.3	76%	0.76	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-60.1	139.1	172	27.5	-33.9	0	0	0	110	S772	P770-S772 PolarHBondContact O-N 3.31Å
771	L	89.9	Confident	76	Confident	104 Å²	104	85.6 Å²	85.6	55%	0.545	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-66.4	134.7	-178.7	-63.1	175.1	0	0	0	110.9	P670 I671 T674 P769	P670-L771 HydrophobicContact CB-CD1 4.28Å; I671-L771 HydrophobicContact CG1-CD2 4.02Å; T674-L771 WeakPolarHBondContact OG1-CA 3.36Å; P769-L771 PolarHBondContact O-N 3.12Å
772	S	88.6	Confident	74	Confident	19 Å²	19	84.5 Å²	84.5	13%	0.133	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-65.7	143.3	175	-64.6	0	0	0	0	110.5	T674 Q677 P770 I774	T674-S772 PolarHBondContact OG1-N 3.4Å; Q677-S772 PolarHBondContact OE1-OG 3.37Å; P770-S772 PolarHBondContact O-N 3.31Å; S772-I774 PolarHBondContact O-N 3.29Å
773	P	88.1	Confident	71.6	Confident	73 Å²	73	87.1 Å²	87.1	47%	0.474	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-61.6	134.9	176.2	26.2	-33.3	0	0	0	109.9	W673 P775	W673-P773 PolarHBondContact NE1-O 3.46Å; P773-P775 WeakPolarHBondContact O-CD 3.43Å
774	I	86.1	Confident	69.6	Low	83 Å²	83	92.3 Å²	92.3	43%	0.426	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-71.1	126.2	173.6	-69.4	169.3	0	0	0	108.2	Y651 S772 Q776	Y651-I774 HydrophobicContact CD1-CG2 3.88Å; Y651-I774 HydrophobicContact CE1-CG2 3.28Å; Y651-I774 HydrophobicContact CE2-CG1 4.16Å; Y651-I774 HydrophobicContact CE2-CG2 4.01Å; Y651-I774 HydrophobicContact CG-CG2 4.46Å; S772-I774 PolarHBondContact O-N 3.29Å; I774-Q776 PolarHBondContact O-N 3.24Å; I774-Q776 VanDerWaalsContact O-N 3.12Å
775	P	83.9	Confident	67.4	Low	24 Å²	24	94 Å²	94	16%	0.156	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-55.1	121.6	175.5	-25.1	34.2	0	0	0	109.7	W673 P773 I777	W673-P775 HydrophobicContact CH2-CG 3.9Å; W673-P775 VanDerWaalsContact CZ2-CD 3.45Å; W673-P775 HydrophobicContact CZ2-CG 3.37Å; P773-P775 WeakPolarHBondContact O-CD 3.43Å; P775-I777 PolarHBondContact O-N 3.29Å
776	Q	68.6	Low	65.2	Low	152 Å²	152	97.1 Å²	97.1	71%	0.71	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-61.4	133.6	172.3	-65.9	-161.4	-4	0	0	108.2	I774 P778	I774-Q776 PolarHBondContact O-N 3.24Å; I774-Q776 VanDerWaalsContact O-N 3.12Å; Q776-P778 WeakPolarHBondContact O-CD 3.02Å
777	I	55.6	Low	63.5	Low	86 Å²	86	90.7 Å²	90.7	44%	0.441	47%	0.473	S	S	.	.			trans	-93.9	87.9	176.3	-52.9	169.3	0	0	0	107.1	P775 R779	P775-I777 PolarHBondContact O-N 3.29Å; I777-R779 PolarHBondContact O-N 3.32Å
778	P	49.4	Very low	62.1	Low	45 Å²	45	83.6 Å²	83.6	29%	0.292	46%	0.455	S	S	.	.			trans	-63.2	128.3	163.2	21.5	-24.1	0	0	0	106.8	L584 R648 Q776 S780	L584-P778 HydrophobicContact CB-CG 4.41Å; L584-P778 HydrophobicContact CD1-CG 3.56Å; L584-P778 HydrophobicContact CG-CG 4.48Å; R648-P778 PolarHBondContact NH1-O 2.99Å; R648-P778 PolarHBondContact NH2-O 2.96Å; Q776-P778 WeakPolarHBondContact O-CD 3.02Å; P778-S780 PolarHBondContact O-N 2.93Å
779	R	42.5	Very low	60.8	Low	171 Å²	171	86 Å²	86	65%	0.645	46%	0.462	S	S	*	.			trans	-49	139.1	174.4	-67.1	176.6	177.4	174.1	0.8	108.6	I777 S787	I777-R779 PolarHBondContact O-N 3.32Å; R779-S787 PolarHBondContact NH1-OG 3.25Å
780	S	38.4	Very low	59.7	Low	36 Å²	36	90.7 Å²	90.7	25%	0.252	48%	0.476	S	S	.	.			trans	-41.5	135.1	178	163	0	0	0	0	109.8	P778 Y782 K783	P778-S780 PolarHBondContact O-N 2.93Å; S780-Y782 PolarHBondContact O-N 3.22Å; S780-Y782 WeakPolarHBondContact OG-CD2 3.22Å; S780-Y782 PolarHBondContact OG-N 3.45Å; S780-K783 PolarHBondContact O-N 3.21Å
781	P	43.3	Very low	58.3	Low	71 Å²	71	87.3 Å²	87.3	46%	0.461	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.1	178.9	24.8	-32.2	0	0	0	112.6
782	Y	48.8	Very low	56.2	Low	72 Å²	72	88.3 Å²	88.3	28%	0.282	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	20.5	-176.5	-51.9	-66.1	0	0	0	115	I525 E540 S780	I525-Y782 HydrophobicContact CB-CE1 4.28Å; I525-Y782 WeakPolarHBondContact CB-OH 3.33Å; I525-Y782 HydrophobicContact CG2-CD1 4.15Å; I525-Y782 HydrophobicContact CG2-CE1 3.32Å; I525-Y782 HydrophobicContact CG2-CE2 4.38Å; I525-Y782 VanDerWaalsContact CG2-CZ 3.46Å; I525-Y782 WeakPolarHBondContact CG2-OH 3.41Å; E540-Y782 VanDerWaalsContact OE1-CD2 3.28Å; E540-Y782 WeakPolarHBondContact OE1-CD2 3.47Å; S780-Y782 PolarHBondContact O-N 3.22Å; S780-Y782 WeakPolarHBondContact OG-CD2 3.22Å; S780-Y782 PolarHBondContact OG-N 3.45Å
783	K	40.8	Very low	54.6	Low	147 Å²	147	91.1 Å²	91.1	64%	0.639	50%	0.498	S	S	*	.			trans	-83.9	119.3	173.6	-74.6	-158.7	176.3	-166.9	0	113	S780	S780-K783 PolarHBondContact O-N 3.21Å
784	L	45.6	Very low	53.1	Low	118 Å²	118	88.4 Å²	88.4	62%	0.618	48%	0.481	S	S	*	.			trans	-37.6	160.6	164.9	-75.9	130.7	0	0	0	115.5	N786	L784-N786 PolarHBondContact O-N 3.31Å
785	P	38.8	Very low	51.6	Low	91 Å²	91	90.2 Å²	90.2	59%	0.591	49%	0.491	S	S	*	.	S	Bend	trans	-62.7	1.9	-157.6	-20.8	31.6	0	0	0	118.6	S787 P801	P785-S787 PolarHBondContact O-N 3.09Å; P785-P801 WeakPolarHBondContact O-CG 3.44Å
786	N	41.6	Very low	50.6	Low	125 Å²	125	95.2 Å²	95.2	67%	0.668	52%	0.517	S	S	*	.			trans	-91.8	16.4	-162.2	-67.4	-10.6	0	0	0	115.2	L784	L784-N786 PolarHBondContact O-N 3.31Å
787	S	44.3	Very low	50.4	Low	41 Å²	41	89.9 Å²	89.9	29%	0.287	49%	0.494	S	S	.	.	S	Bend	trans	-113.9	141.8	178.4	-72.3	0	0	0	0	112.3	R779 P785 L789	R779-S787 PolarHBondContact NH1-OG 3.25Å; P785-S787 PolarHBondContact O-N 3.09Å; S787-L789 PolarHBondContact O-N 3.14Å
788	P	52.3	Low	50.9	Low	70 Å²	70	90.6 Å²	90.6	46%	0.455	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-59.4	122.9	174.6	-14.8	24.2	0	0	0	111.1	Y798 I799 S800	P788-Y798 HydrophobicContact CB-CD1 4.44Å; P788-I799 CarbonylContact C-O 3.47Å; P788-I799 WeakPolarHBondContact CA-O 3.3Å; P788-S800 WeakPolarHBondContact CA-OG 3.2Å; P788-S800 WeakPolarHBondContact CB-OG 3.35Å; P788-S800 VanDerWaalsContact CG-OG 3.3Å; P788-S800 WeakPolarHBondContact CG-OG 3.36Å
789	L	55.4	Low	51.5	Low	128 Å²	128	93.5 Å²	93.5	67%	0.67	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	137	172.3	-68.3	170	0	0	0	109.7	S787 Y798 I799	S787-L789 PolarHBondContact O-N 3.14Å; L789-Y798 CarbonylContact O-C 3.55Å; L789-Y798 VanDerWaalsContact O-CA 3.28Å; L789-Y798 WeakPolarHBondContact O-CA 3.46Å; L789-I799 PolarHBondContact N-O 2.77Å; L789-I799 PolarHBondContact O-N 2.75Å
790	R	63.1	Low	51.9	Low	131 Å²	131	88.7 Å²	88.7	49%	0.494	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.3	175.3	-175.6	173.7	167.7	-165.5	-11.6	109.8	P792 S794 N795 Y798	R790-P792 WeakPolarHBondContact O-CD 3.28Å; R790-S794 PolarHBondContact NE-O 2.75Å; R790-S794 PolarHBondContact NH2-O 3.27Å; R790-N795 PolarHBondContact NH2-OD1 3.39Å; R790-Y798 HydrophobicContact CB-CD1 4.09Å; R790-Y798 HydrophobicContact CB-CE1 4.02Å; R790-Y798 HydrophobicContact CG-CE1 4.26Å
791	V	59.8	Low	52.4	Low	46 Å²	46	90.2 Å²	90.2	28%	0.279	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-74	123.1	177.7	-174.8	0	0	0	0	109.5	G793 S794 V797 I799	V791-G793 PolarHBondContact O-N 2.9Å; V791-S794 PolarHBondContact O-N 2.99Å; V791-S794 PolarHBondContact O-OG 3.12Å; V791-S794 VanDerWaalsContact O-OG 3.06Å; V791-V797 HydrophobicContact CB-CB 4.47Å; V791-V797 HydrophobicContact CG2-CB 4.2Å; V791-V797 HydrophobicContact CG2-CG1 3.87Å; V791-V797 PolarHBondContact N-O 2.74Å; V791-V797 VanDerWaalsContact N-O 3.12Å; V791-I799 HydrophobicContact CG2-CD1 3.45Å; V791-I799 VanDerWaalsContact CG2-CD1 3.45Å; V791-I799 HydrophobicContact CG2-CG1 3.56Å
792	P	44.1	Very low	52.6	Low	125 Å²	125	93.2 Å²	93.2	81%	0.812	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	133.4	174.4	-23.4	33.5	0	0	0	111	R790	R790-P792 WeakPolarHBondContact O-CD 3.28Å
793	G	56.5	Low	52.7	Low	78 Å²	78	99 Å²	99	80%	0.804	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-6.4	-178	0	0	0	0	0	116	V791	V791-G793 PolarHBondContact O-N 2.9Å
794	S	56.1	Low	52.6	Low	16 Å²	16	99.1 Å²	99.1	11%	0.112	55%	0.546	C	S	.	.			trans	-117.1	142.3	176.5	78.7	0	0	0	0	112.6	R790 V791 V797	R790-S794 PolarHBondContact NE-O 2.75Å; R790-S794 PolarHBondContact NH2-O 3.27Å; V791-S794 PolarHBondContact O-N 2.99Å; V791-S794 PolarHBondContact O-OG 3.12Å; V791-S794 VanDerWaalsContact O-OG 3.06Å; S794-V797 WeakPolarHBondContact OG-CB 3.37Å
795	N	54.9	Low	52.3	Low	122 Å²	122	99.4 Å²	99.4	65%	0.652	56%	0.558	S	S	*	*	S	Bend	trans	-84.8	-21.3	176.9	-77.7	-19.3	0	0	0	113.9	R790	R790-N795 PolarHBondContact NH2-OD1 3.39Å
796	N	63.6	Low	52.4	Low	128 Å²	128	105.1 Å²	105.1	68%	0.684	57%	0.568	S	S	*	*	S	Bend	trans	-130.8	2.4	-165.8	-62.3	-40.5	0	0	0	115
797	V	64.3	Low	52.1	Low	40 Å²	40	106.9 Å²	106.9	24%	0.242	57%	0.574	C	S	.	*			trans	-106.2	129.4	-176	-170.2	0	0	0	0	111.2	V791 S794	V791-V797 HydrophobicContact CB-CB 4.47Å; V791-V797 HydrophobicContact CG2-CB 4.2Å; V791-V797 HydrophobicContact CG2-CG1 3.87Å; V791-V797 PolarHBondContact N-O 2.74Å; V791-V797 VanDerWaalsContact N-O 3.12Å; S794-V797 WeakPolarHBondContact OG-CB 3.37Å
798	Y	65.1	Low	51.6	Low	102 Å²	102	110.3 Å²	110.3	40%	0.4	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.4	134.7	-179.9	-61.4	-97.6	0	0	0	109.7	P788 L789 R790	P788-Y798 HydrophobicContact CB-CD1 4.44Å; L789-Y798 CarbonylContact O-C 3.55Å; L789-Y798 VanDerWaalsContact O-CA 3.28Å; L789-Y798 WeakPolarHBondContact O-CA 3.46Å; R790-Y798 HydrophobicContact CB-CD1 4.09Å; R790-Y798 HydrophobicContact CB-CE1 4.02Å; R790-Y798 HydrophobicContact CG-CE1 4.26Å
799	I	62.8	Low	50.9	Low	106 Å²	106	113.8 Å²	113.8	54%	0.544	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	125.5	177.4	-60.9	176.2	0	0	0	108.1	P788 L789 V791	P788-I799 CarbonylContact C-O 3.47Å; P788-I799 WeakPolarHBondContact CA-O 3.3Å; L789-I799 PolarHBondContact N-O 2.77Å; L789-I799 PolarHBondContact O-N 2.75Å; V791-I799 HydrophobicContact CG2-CD1 3.45Å; V791-I799 VanDerWaalsContact CG2-CD1 3.45Å; V791-I799 HydrophobicContact CG2-CG1 3.56Å
800	S	49.9	Very low	50.2	Low	70 Å²	70	110.6 Å²	110.6	49%	0.49	62%	0.619	S	S	.	*			trans	-115.7	142	170.3	-54	0	0	0	0	109.1	P788	P788-S800 WeakPolarHBondContact CA-OG 3.2Å; P788-S800 WeakPolarHBondContact CB-OG 3.35Å; P788-S800 VanDerWaalsContact CG-OG 3.3Å; P788-S800 WeakPolarHBondContact CG-OG 3.36Å
801	P	50.3	Low	49.1	Very low	68 Å²	68	112.1 Å²	112.1	44%	0.442	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-62.9	148.2	171.7	18.3	-22.8	0	0	0	111.4	P785 R803	P785-P801 WeakPolarHBondContact O-CG 3.44Å; P801-R803 PolarHBondContact O-N 3.41Å
802	L	46.6	Very low	48.2	Very low	133 Å²	133	118.7 Å²	118.7	70%	0.696	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.4	-179.3	-148.6	86.7	0	0	0	109.3
803	R	51.1	Low	47.9	Very low	194 Å²	194	119 Å²	119	73%	0.732	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-80	133.9	173.8	-67	-171.7	177.7	-172	-0.9	108.8	P801 S805	P801-R803 PolarHBondContact O-N 3.41Å; R803-S805 PolarHBondContact O-N 3.18Å
804	N	38.7	Very low	46.9	Very low	150 Å²	150	121.4 Å²	121.4	80%	0.802	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.1	171.5	-82.9	-8	0	0	0	110.3	R806	N804-R806 PolarHBondContact O-N 3.06Å
805	S	39.2	Very low	46.2	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	70%	0.701	S	S	*	*	S	Bend	trans	-66.2	30	-167.6	-51.1	0	0	0	0	117.2	R803	R803-S805 PolarHBondContact O-N 3.18Å
806	R	41.3	Very low	45.8	Very low	212 Å²	212	131.9 Å²	131.9	80%	0.8	71%	0.714	S	S	*	*			trans	-100.7	10.8	179	-63.2	-167.6	-162.9	-179.9	4.3	115	N804	N804-R806 PolarHBondContact O-N 3.06Å
807	M	35.8	Very low	45.3	Very low	161 Å²	161	134.3 Å²	134.3	79%	0.793	71%	0.714	S	S	*	*	S	Bend	trans	-114.1	110.2	170.7	-69.1	-83.1	107.4	0	0	108.3
808	S	32.2	Very low	45.1	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	72%	0.719	S	S	*	*			trans	-53.6	139.8	175.9	-53.9	0	0	0	0	111	G810	S808-G810 PolarHBondContact O-N 2.97Å
809	P	38.6	Very low	44.8	Very low	143 Å²	143	138.1 Å²	138.1	93%	0.929	74%	0.738	S	S	*	*	S	Bend	trans	-77.2	72.1	-176.8	32	-33.8	0	0	0	110.3
810	G	39.6	Very low	44.6	Very low	62 Å²	62	136 Å²	136	64%	0.639	73%	0.73	S	S	*	*			trans	-125.6	-17.4	-170.5	0	0	0	0	0	116.8	S808	S808-G810 PolarHBondContact O-N 2.97Å
811	I	41.8	Very low	44.9	Very low	162 Å²	162	134.7 Å²	134.7	83%	0.831	72%	0.721	S	S	*	*			trans	-139.9	73.8	-173.6	-47.9	177.9	0	0	0	110.9
812	M	39.2	Very low	45	Very low	184 Å²	184	138.4 Å²	138.4	91%	0.906	74%	0.735	S	S	*	*			trans	-141.5	112.5	159.5	-77.4	-90.7	97.2	0	0	107.1
813	T	37.7	Very low	45.3	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	74%	0.74	S	S	*	*			trans	-63.6	138.4	179.6	46.2	0	0	0	0	111.9	R815	T813-R815 PolarHBondContact O-N 3.48Å
814	P	36.1	Very low	45.4	Very low	129 Å²	129	132.7 Å²	132.7	84%	0.838	73%	0.734	S	S	*	*			trans	-78.6	108.8	-178.2	31.2	-30.7	0	0	0	110
815	R	42	Very low	46	Very low	224 Å²	224	131.5 Å²	131.5	85%	0.845	74%	0.737	S	S	*	*			trans	-113.8	92.5	156.5	-81.6	-169.7	179	176.4	1.3	108.7	T813 R817	T813-R815 PolarHBondContact O-N 3.48Å; R815-R817 PolarHBondContact O-N 3.46Å
816	S	45.3	Very low	46.5	Very low	134 Å²	134	129.9 Å²	129.9	94%	0.937	72%	0.715	S	S	*	*	S	Bend	trans	46.2	19.5	154.8	-41.9	0	0	0	0	119.6
817	R	53.3	Low	47.2	Very low	179 Å²	179	121.9 Å²	121.9	68%	0.675	70%	0.698	S	S	*	*			trans	-118.3	124.9	-178.6	-69.5	-178	179.7	174	-0.2	110.4	R815	R815-R817 PolarHBondContact O-N 3.46Å
818	M	59.8	Low	48.1	Very low	72 Å²	72	121.3 Å²	121.3	36%	0.355	70%	0.698	S	S	.	*			trans	-69	126.9	176.3	-167.1	173.4	82.3	0	0	109.4	V820 K834 I835 M838	M818-V820 HydrophobicContact CE-CG2 4.09Å; M818-V820 HydrophobicContact CG-CG2 4.46Å; M818-K834 HydrophobicContact CE-CB 4.34Å; M818-K834 HydrophobicContact SD-CB 4.34Å; M818-K834 HydrophobicContact SD-CD 4.17Å; M818-K834 HydrophobicContact SD-CG 4.42Å; M818-I835 HydrophobicContact CE-CB 4.42Å; M818-I835 HydrophobicContact CE-CD1 4.19Å; M818-I835 HydrophobicContact CE-CG1 3.28Å; M818-M838 HydrophobicContact CB-CE 4.44Å; M818-M838 HydrophobicContact CE-CE 3.47Å; M818-M838 VanDerWaalsContact CE-CE 3.47Å
819	L	58.7	Low	49.2	Very low	150 Å²	150	118.5 Å²	118.5	79%	0.785	69%	0.687	S	S	*	*			trans	-108.4	133.7	-177.1	-146.7	148	0	0	0	108.9
820	V	59.1	Low	50.2	Low	63 Å²	63	117.4 Å²	117.4	38%	0.382	67%	0.673	S	S	.	*			trans	-136.7	123.4	-172.9	-175.8	0	0	0	0	109.5	M818 F826 I835	M818-V820 HydrophobicContact CE-CG2 4.09Å; M818-V820 HydrophobicContact CG-CG2 4.46Å; V820-F826 HydrophobicContact CG1-CD1 4.34Å; V820-F826 HydrophobicContact CG1-CE1 3.48Å; V820-F826 VanDerWaalsContact CG1-CE1 3.48Å; V820-F826 HydrophobicContact CG1-CZ 4.31Å; V820-I835 HydrophobicContact CB-CD1 4.46Å; V820-I835 HydrophobicContact CG1-CD1 4.03Å; V820-I835 HydrophobicContact CG2-CD1 3.81Å; V820-I835 HydrophobicContact CG2-CG1 4.26Å
821	S	56.7	Low	51.2	Low	42 Å²	42	121.8 Å²	121.8	29%	0.294	67%	0.67	S	S	.	*			trans	-104.9	130.6	-179.4	3.5	0	0	0	0	109.6	G823 E824 F826	S821-G823 PolarHBondContact O-N 3.23Å; S821-E824 PolarHBondContact OG-OE2 2.83Å; S821-F826 WeakPolarHBondContact O-CZ 3.39Å
822	I	53	Low	52.3	Low	146 Å²	146	119.6 Å²	119.6	75%	0.749	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	116	171.7	-60	177.6	0	0	0	107.8
823	G	52.2	Low	53.4	Low	77 Å²	77	117 Å²	117	79%	0.794	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.3	-9.8	179.3	0	0	0	0	0	115.5	S821	S821-G823 PolarHBondContact O-N 3.23Å
824	E	53.5	Low	54.7	Low	130 Å²	130	116.7 Å²	116.7	61%	0.607	63%	0.628	S	S	*	*	S	Bend	trans	-92.6	151.7	169	-70.9	177.4	149.1	0	0	110.8	S821 F826	S821-E824 PolarHBondContact OG-OE2 2.83Å; E824-F826 WeakPolarHBondContact O-CD2 3.36Å; E824-F826 WeakPolarHBondContact O-CE2 3.32Å; E824-F826 PolarHBondContact O-N 2.79Å; E824-F826 VanDerWaalsContact O-N 3.08Å
825	S	50.4	Low	56.1	Low	124 Å²	124	112.4 Å²	112.4	87%	0.867	60%	0.597	S	S	*	*			trans	-62.5	113.4	172.8	179.5	0	0	0	0	109.6	G827	S825-G827 VanDerWaalsContact C-N 3.28Å; S825-G827 PolarHBondContact O-N 2.73Å
826	F	51.2	Low	57.2	Low	90 Å²	90	105.6 Å²	105.6	40%	0.395	58%	0.578	S	S	.	*			trans	-71.6	82.3	178.3	-66.9	-95.3	0	0	0	109.6	V820 S821 E824 F832	V820-F826 HydrophobicContact CG1-CD1 4.34Å; V820-F826 HydrophobicContact CG1-CE1 3.48Å; V820-F826 VanDerWaalsContact CG1-CE1 3.48Å; V820-F826 HydrophobicContact CG1-CZ 4.31Å; S821-F826 WeakPolarHBondContact O-CZ 3.39Å; E824-F826 WeakPolarHBondContact O-CD2 3.36Å; E824-F826 WeakPolarHBondContact O-CE2 3.32Å; E824-F826 PolarHBondContact O-N 2.79Å; E824-F826 VanDerWaalsContact O-N 3.08Å; F826-F832 HydrophobicContact CD1-CE2 4.29Å; F826-F832 HydrophobicContact CG-CE2 4.39Å
827	G	54.5	Low	58.1	Low	43 Å²	43	105.8 Å²	105.8	44%	0.443	56%	0.564	S	S	.	*			trans	-59	136.9	173.7	0	0	0	0	0	112.5	S825	S825-G827 VanDerWaalsContact C-N 3.28Å; S825-G827 PolarHBondContact O-N 2.73Å
828	L	55.1	Low	58.5	Low	150 Å²	150	101.4 Å²	101.4	79%	0.785	55%	0.552	S	S	*	*	S	Bend	trans	51.2	119.4	175.5	-67.8	163.7	0	0	0	116	N830 R831	L828-N830 PolarHBondContact O-N 3.47Å; L828-R831 PolarHBondContact O-N 3.09Å; L828-R831 VanDerWaalsContact O-N 3.16Å
829	G	56.5	Low	58.6	Low	54 Å²	54	101.7 Å²	101.7	56%	0.557	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-14.7	-175.2	0	0	0	0	0	117	R831 F832 Q833	G829-R831 PolarHBondContact O-N 3.2Å; G829-F832 PolarHBondContact O-N 2.71Å; G829-Q833 PolarHBondContact O-N 3.35Å
830	N	58.6	Low	58.6	Low	120 Å²	120	100.3 Å²	100.3	64%	0.642	55%	0.551	S	S	*	*	H	α-helix	trans	-60.9	-28.6	175.3	-63.5	-7.7	0	0	0	113.2	L828 K834	L828-N830 PolarHBondContact O-N 3.47Å; N830-K834 PolarHBondContact O-N 3Å
831	R	61.6	Low	58.4	Low	153 Å²	153	101.1 Å²	101.1	58%	0.577	56%	0.56	S	S	*	*	H	α-helix	trans	-69.4	-39.5	176.3	-71	-171.9	178.3	-161.8	2.5	111.9	L828 G829 K834 I835	L828-R831 PolarHBondContact O-N 3.09Å; L828-R831 VanDerWaalsContact O-N 3.16Å; G829-R831 PolarHBondContact O-N 3.2Å; R831-K834 PolarHBondContact O-N 3.38Å; R831-I835 VanDerWaalsContact O-CG1 3.32Å; R831-I835 WeakPolarHBondContact O-CG1 3.46Å; R831-I835 PolarHBondContact O-N 3.08Å
832	F	63.7	Low	57.9	Low	116 Å²	116	103.5 Å²	103.5	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-65.6	-43.4	177.7	-115.3	-84.6	0	0	0	111.9	F826 G829 K834 I835 N836	F826-F832 HydrophobicContact CD1-CE2 4.29Å; F826-F832 HydrophobicContact CG-CE2 4.39Å; G829-F832 PolarHBondContact O-N 2.71Å; F832-K834 VanDerWaalsContact C-N 3.27Å; F832-K834 PolarHBondContact O-N 2.92Å; F832-I835 PolarHBondContact O-N 3.38Å; F832-N836 WeakPolarHBondContact O-CB 3.2Å; F832-N836 PolarHBondContact O-N 2.89Å
833	Q	63.5	Low	57.3	Low	129 Å²	129	104.3 Å²	104.3	60%	0.603	58%	0.577	S	S	*	*	H	α-helix	trans	-59.7	-38	174.6	-80.6	179.5	-18.5	0	0	112.3	G829 N836 Q837	G829-Q833 PolarHBondContact O-N 3.35Å; Q833-N836 PolarHBondContact O-N 3.04Å; Q833-Q837 WeakPolarHBondContact O-CB 3.17Å; Q833-Q837 WeakPolarHBondContact O-CG 3.3Å; Q833-Q837 PolarHBondContact O-N 3.26Å
834	K	64.1	Low	56.5	Low	125 Å²	125	111 Å²	111	54%	0.543	58%	0.578	S	S	.	*	H	α-helix	trans	-72.5	-36.1	179	-150.2	166.5	-171	172.2	0	112.7	M818 N830 R831 F832 M838	M818-K834 HydrophobicContact CE-CB 4.34Å; M818-K834 HydrophobicContact SD-CB 4.34Å; M818-K834 HydrophobicContact SD-CD 4.17Å; M818-K834 HydrophobicContact SD-CG 4.42Å; N830-K834 PolarHBondContact O-N 3Å; R831-K834 PolarHBondContact O-N 3.38Å; F832-K834 VanDerWaalsContact C-N 3.27Å; F832-K834 PolarHBondContact O-N 2.92Å; K834-M838 VanDerWaalsContact O-CG 3.3Å; K834-M838 WeakPolarHBondContact O-CG 3.15Å; K834-M838 PolarHBondContact O-N 2.99Å
835	I	65.1	Low	55.8	Low	39 Å²	39	110.5 Å²	110.5	20%	0.2	59%	0.589	C	S	.	*	H	α-helix	trans	-63.2	-49.5	170.9	-63.7	166.5	0	0	0	109.8	M818 V820 R831 F832 Q837 M838 V839	M818-I835 HydrophobicContact CE-CB 4.42Å; M818-I835 HydrophobicContact CE-CD1 4.19Å; M818-I835 HydrophobicContact CE-CG1 3.28Å; V820-I835 HydrophobicContact CB-CD1 4.46Å; V820-I835 HydrophobicContact CG1-CD1 4.03Å; V820-I835 HydrophobicContact CG2-CD1 3.81Å; V820-I835 HydrophobicContact CG2-CG1 4.26Å; R831-I835 VanDerWaalsContact O-CG1 3.32Å; R831-I835 WeakPolarHBondContact O-CG1 3.46Å; R831-I835 PolarHBondContact O-N 3.08Å; F832-I835 PolarHBondContact O-N 3.38Å; I835-Q837 VanDerWaalsContact C-N 3.32Å; I835-Q837 PolarHBondContact O-N 3.08Å; I835-M838 PolarHBondContact O-N 3.2Å; I835-M838 VanDerWaalsContact O-N 3.08Å; I835-V839 HydrophobicContact CG2-CG2 4.32Å; I835-V839 WeakPolarHBondContact O-CG2 3.42Å; I835-V839 PolarHBondContact O-N 3.29Å
836	N	65.1	Low	54.9	Low	82 Å²	82	112.7 Å²	112.7	44%	0.439	59%	0.585	S	S	.	*	H	α-helix	trans	-60.5	-41.1	178.7	-74.4	-8.3	0	0	0	111.4	F832 Q833 V839 N840	F832-N836 WeakPolarHBondContact O-CB 3.2Å; F832-N836 PolarHBondContact O-N 2.89Å; Q833-N836 PolarHBondContact O-N 3.04Å; N836-V839 PolarHBondContact O-N 3.01Å; N836-N840 WeakPolarHBondContact O-CB 3.44Å; N836-N840 PolarHBondContact O-N 3.35Å; N836-N840 PolarHBondContact O-ND2 3.23Å
837	Q	65.6	Low	54	Low	137 Å²	137	118.3 Å²	118.3	64%	0.64	61%	0.609	S	S	*	*	H	α-helix	trans	-62.9	-39.5	172.6	-82.9	-179.9	-8.4	0	0	113.2	Q833 I835 S841	Q833-Q837 WeakPolarHBondContact O-CB 3.17Å; Q833-Q837 WeakPolarHBondContact O-CG 3.3Å; Q833-Q837 PolarHBondContact O-N 3.26Å; I835-Q837 VanDerWaalsContact C-N 3.32Å; I835-Q837 PolarHBondContact O-N 3.08Å; Q837-S841 WeakPolarHBondContact O-CB 3.47Å; Q837-S841 PolarHBondContact O-N 3.28Å; Q837-S841 PolarHBondContact O-OG 3.2Å
838	M	61.4	Low	53	Low	87 Å²	87	128.1 Å²	128.1	43%	0.429	63%	0.633	S	S	.	*	H	α-helix	trans	-70.5	-31.1	177.6	-74	-171.4	-51.4	0	0	113.2	M818 K834 I835 S841	M818-M838 HydrophobicContact CB-CE 4.44Å; M818-M838 HydrophobicContact CE-CE 3.47Å; M818-M838 VanDerWaalsContact CE-CE 3.47Å; K834-M838 VanDerWaalsContact O-CG 3.3Å; K834-M838 WeakPolarHBondContact O-CG 3.15Å; K834-M838 PolarHBondContact O-N 2.99Å; I835-M838 PolarHBondContact O-N 3.2Å; I835-M838 VanDerWaalsContact O-N 3.08Å; M838-S841 PolarHBondContact O-OG 2.86Å
839	V	60.9	Low	51.7	Low	78 Å²	78	125.4 Å²	125.4	47%	0.473	63%	0.632	S	S	.	*	H	α-helix	trans	-77.7	-36	176	174.7	0	0	0	0	111	I835 N836	I835-V839 HydrophobicContact CG2-CG2 4.32Å; I835-V839 WeakPolarHBondContact O-CG2 3.42Å; I835-V839 PolarHBondContact O-N 3.29Å; N836-V839 PolarHBondContact O-N 3.01Å
840	N	58.4	Low	50.2	Low	121 Å²	121	131.2 Å²	131.2	65%	0.647	65%	0.647	S	S	*	*	H	α-helix	trans	-89.4	-8	-176.8	-62.3	-16.4	0	0	0	114.3	N836 S842	N836-N840 WeakPolarHBondContact O-CB 3.44Å; N836-N840 PolarHBondContact O-N 3.35Å; N836-N840 PolarHBondContact O-ND2 3.23Å; N840-S842 PolarHBondContact O-N 2.88Å
841	S	54.6	Low	48.7	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	66%	0.659	S	S	*	*			trans	-84.6	28.5	179.3	48.2	0	0	0	0	113.7	Q837 M838 E843	Q837-S841 WeakPolarHBondContact O-CB 3.47Å; Q837-S841 PolarHBondContact O-N 3.28Å; Q837-S841 PolarHBondContact O-OG 3.2Å; M838-S841 PolarHBondContact O-OG 2.86Å; S841-E843 PolarHBondContact O-N 3.47Å; S841-E843 VanDerWaalsContact O-N 3.09Å
842	S	46.7	Very low	47.2	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	67%	0.669	S	S	*	*			trans	-65	-5.3	176	45.2	0	0	0	0	114.2	N840	N840-S842 PolarHBondContact O-N 2.88Å
843	E	40.6	Very low	45.3	Very low	164 Å²	164	134.4 Å²	134.4	77%	0.766	69%	0.685	S	S	*	*	S	Bend	trans	-114.8	129.9	175.8	-68.8	-169.1	164.3	0	0	112.8	S841	S841-E843 PolarHBondContact O-N 3.47Å; S841-E843 VanDerWaalsContact O-N 3.09Å
844	R	35.7	Very low	43.6	Very low	218 Å²	218	133.3 Å²	133.3	82%	0.823	70%	0.698	S	S	*	*			trans	88.9	101	171.4	-56.9	-179	-179.6	-169.3	-1.1	116.8	H846	R844-H846 PolarHBondContact O-N 2.92Å
845	S	39.7	Very low	41.9	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	71%	0.707	S	S	*	*			trans	-45.9	115.9	155	48.4	0	0	0	0	112.3
846	H	30.2	Very low	40	Very low	170 Å²	170	138 Å²	138	79%	0.787	74%	0.74	S	S	*	*			trans	-125.6	124.2	161.9	-84.8	47.1	0	0	0	110.4	R844	R844-H846 PolarHBondContact O-N 2.92Å
847	K	33.7	Very low	38.2	Very low	207 Å²	207	143.6 Å²	143.6	90%	0.9	76%	0.761	S	S	*	*			trans	-60.6	154.1	171.7	-85.8	174.2	172.1	173.3	0	110.9	A849	K847-A849 PolarHBondContact O-N 3.3Å
848	R	32.9	Very low	36.6	Very low	249 Å²	249	142.6 Å²	142.6	94%	0.94	77%	0.766	S	S	*	*			trans	-40.2	128.8	167.6	-59.8	173	-158.3	167.7	5.4	112.4
849	A	26.3	Very low	34.9	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	79%	0.788	S	S	*	*			trans	-169.9	105.1	147.4	0	0	0	0	0	110.2	K847	K847-A849 PolarHBondContact O-N 3.3Å
850	M	26.7	Very low	33.5	Very low	177 Å²	177	152.2 Å²	152.2	87%	0.872	81%	0.806	S	S	*	*			trans	-163.2	87.3	137.7	-85.1	-137.3	104.6	0	0	106.3
851	D	27.4	Very low	32	Very low	167 Å²	167	155.8 Å²	155.8	89%	0.893	82%	0.816	S	S	*	*				-154.7	135.2	129.8	-132.8	-15	0	0	0	108.9
852	Q	28.1	Very low	30.5	Very low	169 Å²	169	159.3 Å²	159.3	79%	0.79	83%	0.828	S	S	*	*			trans	-84	128.3	-174.4	-68	172.7	6.1	0	0	110
853	S	24.4	Very low	29.7	Very low	120 Å²	120	165.4 Å²	165.4	84%	0.839	84%	0.836	S	S	*	*				156.6	143.4	127.8	55.7	0	0	0	0	113.3
854	A	27.9	Very low	29	Very low	105 Å²	105	167 Å²	167	87%	0.868	84%	0.841	S	S	*	*			trans	76.5	115.5	167.7	0	0	0	0	0	119.6
855	A	27.6	Very low	28.7	Very low	90 Å²	90	163.2 Å²	163.2	74%	0.744	84%	0.837	S	S	*	*			trans	-50.2	156.1	-178.2	0	0	0	0	0	118.2
856	I	25.2	Very low	28.1	Very low	174 Å²	174	164.3 Å²	164.3	89%	0.892	84%	0.839	S	S	*	*				-170.6	147.9	108.7	-84.8	151.2	0	0	0	110.4
857	K	27.8	Very low	28.1	Very low	199 Å²	199	164.2 Å²	164.2	87%	0.865	84%	0.844	S	S	*	*			trans	-66.9	169.2	-166.9	-82.1	178	-179.7	177.5	0	117
858	P	32	Very low	27.9	Very low	115 Å²	115	158 Å²	158	75%	0.747	84%	0.839	S	S	*	*			trans	-103.2	161.2	-159.1	39.1	-31.3	0	0	0	114.6
859	L	26.1	Very low	27.7	Very low	172 Å²	172	155.8 Å²	155.8	90%	0.901	84%	0.839	S	S	*	*			trans	-134.3	149.2	160.6	-86.1	168.2	0	0	0	112.1
860	K	31.9	Very low	27.8	Very low	196 Å²	196	159.1 Å²	159.1	85%	0.852	84%	0.844	S	S	*	*			trans	-83.6	154	-152.1	-59.5	163.8	172.7	176.6	0	114.6
861	K	25.9	Very low	28	Very low	195 Å²	195	159.6 Å²	159.6	85%	0.848	84%	0.844	S	S	*	*			trans	-177.1	114.5	132.1	-104.9	174.9	175.1	-179.8	0	109
862	L	23.4	Very low	28.2	Very low	155 Å²	155	156.1 Å²	156.1	81%	0.812	84%	0.839	S	S	*	*				94.2	106.1	80.6	-159.9	81	0	0	0	109.8
863	R	29.3	Very low	28.1	Very low	219 Å²	219	156.2 Å²	156.2	83%	0.826	84%	0.844	S	S	*	*			trans	-84.6	152.7	172.9	-68	-175	-177.6	178.7	1.2	109.8
864	F	25.8	Very low	28.3	Very low	198 Å²	198	153.1 Å²	153.1	87%	0.868	83%	0.832	S	S	*	*			trans	-151.4	145.5	136.5	-98	-74.3	0	0	0	110
865	D	30.5	Very low	28.3	Very low	139 Å²	139	154.4 Å²	154.4	74%	0.743	84%	0.835	S	S	*	*			trans	-75.8	162.6	-166.5	-65	-56.5	0	0	0	115
866	V	27.7	Very low	28.6	Very low	141 Å²	141	159.8 Å²	159.8	86%	0.855	84%	0.841	S	S	*	*			trans	-119	121.3	167.8	171.2	0	0	0	0	107.1
867	D	30.3	Very low	29.8	Very low	169 Å²	169	157.7 Å²	157.7	90%	0.904	84%	0.839	S	S	*	*			trans	-118.4	145.8	161.5	-95.7	-32.6	0	0	0	109.2
868	G	29.1	Very low	29.8	Very low	77 Å²	77	152 Å²	152	79%	0.794	84%	0.837	S	S	*	*			trans	140	92.3	162.9	0	0	0	0	0	115.1
869	Q	28.4	Very low	29.7	Very low	201 Å²	201	150 Å²	150	94%	0.939	84%	0.836	S	S	*	*			trans	-66.9	155.7	163.3	-76.1	158.6	-67.2	0	0	111.8
870	D	28.3	Very low	30.1	Very low	164 Å²	164	149.6 Å²	149.6	88%	0.877	84%	0.835	S	S	*	*			trans	-135.4	146.2	153.8	-144.9	-4.5	0	0	0	111
871	E	31.2	Very low	31.1	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-78	167.4	-166	-84.6	-105.4	147.5	0	0	114.5
872	A	30.8	Very low	32	Very low	94 Å²	94	141.7 Å²	141.7	78%	0.777	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.4	154.1	-170.3	0	0	0	0	0	114.5
873	D	27.5	Very low	32.9	Very low	170 Å²	170	141.1 Å²	141.1	91%	0.909	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-88.8	146.7	161.9	-163	8.8	0	0	0	110
874	G	27.4	Very low	33.9	Very low	56 Å²	56	137 Å²	137	58%	0.577	81%	0.814	S	S	*	*			trans	-121.1	139.5	-175.3	0	0	0	0	0	112.9
875	S	27.8	Very low	34.8	Very low	132 Å²	132	135.1 Å²	135.1	92%	0.923	81%	0.808	S	S	*	*			trans	-173.7	127.9	138.9	-80.7	0	0	0	0	112.1
876	K	34.5	Very low	35.7	Very low	203 Å²	203	136.4 Å²	136.4	88%	0.883	81%	0.807	S	S	*	*			trans	-89	-171.3	176.4	-79.6	-177.1	178.1	176.4	0	110.9
877	P	50.2	Low	36.7	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	80%	0.795	S	S	*	*			cis	-135.4	-174.9	5.3	32.7	-8.6	0	0	0	113.3
878	G	27.9	Very low	37.5	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	78%	0.777	S	S	*	*			cis	-161.3	179	3.3	0	0	0	0	0	106.4
879	G	30.8	Very low	38.2	Very low	71 Å²	71	134.6 Å²	134.6	73%	0.732	77%	0.772	S	S	*	*			cis	-164.1	179.1	5.5	0	0	0	0	0	109.2
880	D	34.3	Very low	39.1	Very low	164 Å²	164	131 Å²	131	88%	0.877	76%	0.757	S	S	*	*			trans	69.7	93.9	174.4	-58.5	-11.7	0	0	0	117
881	S	52.3	Low	39.8	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	74%	0.737	S	S	*	*				69.7	81.1	51.4	-162.8	0	0	0	0	115.3
882	T	44.1	Very low	40.6	Very low	129 Å²	129	120.7 Å²	120.7	79%	0.791	72%	0.718	S	S	*	*	S	Bend	trans	-172.4	-10.3	147.4	18.1	0	0	0	0	113.6
883	L	42.3	Very low	41.3	Very low	142 Å²	142	120.3 Å²	120.3	74%	0.743	71%	0.706	S	S	*	*	S	Bend	trans	-91.5	-19.4	176.5	-93	154.8	0	0	0	114.8
884	I	50.2	Low	42.1	Very low	132 Å²	132	122 Å²	122	68%	0.677	70%	0.7	S	S	*	*	H	α-helix	trans	-79	-28.5	-174.4	-65.9	171.8	0	0	0	111.8	K886 L887 T888	I884-K886 PolarHBondContact O-N 3.19Å; I884-L887 PolarHBondContact O-N 3.33Å; I884-T888 PolarHBondContact O-OG1 3.45Å
885	Q	45.6	Very low	43.1	Very low	159 Å²	159	123.1 Å²	123.1	74%	0.743	70%	0.699	S	S	*	*	H	α-helix	trans	-74.2	-24.6	-178.5	-155.1	167	3.5	0	0	113.2
886	K	49.1	Very low	43.9	Very low	167 Å²	167	126.3 Å²	126.3	73%	0.726	69%	0.691	S	S	*	*	H	α-helix	trans	-83.1	-20.5	175.9	-83.6	-163.5	172.1	-174.2	0	114.7	I884	I884-K886 PolarHBondContact O-N 3.19Å
887	L	48	Very low	44.7	Very low	114 Å²	114	123.2 Å²	123.2	60%	0.597	68%	0.681	S	S	*	*	H	α-helix	trans	-81.6	-26.3	176.9	-94.7	141.4	0	0	0	112.3	I884 S891	I884-L887 PolarHBondContact O-N 3.33Å; L887-S891 PolarHBondContact O-N 3.25Å
888	T	47.2	Very low	44.5	Very low	86 Å²	86	123 Å²	123	53%	0.528	67%	0.669	S	S	.	*	H	α-helix	trans	-72.1	-34.4	178.6	-32.1	0	0	0	0	112.6	I884 S891	I884-T888 PolarHBondContact O-OG1 3.45Å; T888-S891 PolarHBondContact O-OG 3.17Å; T888-S891 VanDerWaalsContact O-OG 3.04Å
889	E	44.6	Very low	45.4	Very low	148 Å²	148	126.7 Å²	126.7	69%	0.692	66%	0.664	S	S	*	*	H	α-helix	trans	-73.7	-27	178	-77.6	-177.3	157	0	0	114.3	S892 T893	E889-S892 PolarHBondContact O-OG 3.5Å; E889-T893 PolarHBondContact O-OG1 3.28Å
890	M	46.2	Very low	46.1	Very low	127 Å²	127	130.6 Å²	130.6	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-82.5	-22	176.6	-61.7	-165.1	-38.2	0	0	113.1	T893	M890-T893 PolarHBondContact O-OG1 3.15Å
891	S	44	Very low	46.5	Very low	66 Å²	66	131.4 Å²	131.4	46%	0.462	66%	0.659	S	S	.	*	H	α-helix	trans	-77.6	-28.1	178	77.7	0	0	0	0	113.3	L887 T888 S895	L887-S891 PolarHBondContact O-N 3.25Å; T888-S891 PolarHBondContact O-OG 3.17Å; T888-S891 VanDerWaalsContact O-OG 3.04Å; S891-S895 PolarHBondContact O-N 3.16Å; S891-S895 PolarHBondContact O-OG 2.83Å
892	S	47.4	Very low	46.2	Very low	68 Å²	68	134.3 Å²	134.3	48%	0.476	66%	0.664	S	S	.	*	H	α-helix	trans	-78.1	-25.1	179.6	66.8	0	0	0	0	113.2	E889	E889-S892 PolarHBondContact O-OG 3.5Å
893	T	45.9	Very low	46.3	Very low	85 Å²	85	137.2 Å²	137.2	52%	0.521	67%	0.666	S	S	.	*	H	α-helix	trans	-77.7	-34.2	174.4	26.6	0	0	0	0	112.4	E889 M890 M897	E889-T893 PolarHBondContact O-OG1 3.28Å; M890-T893 PolarHBondContact O-OG1 3.15Å; T893-M897 PolarHBondContact O-N 3.31Å
894	W	44	Very low	46.2	Very low	205 Å²	205	138.5 Å²	138.5	78%	0.777	67%	0.668	S	S	*	*	H	α-helix	trans	-71.6	-36.7	176.2	-111.8	59.4	0	0	0	113.3	M897 H898	W894-M897 PolarHBondContact O-N 3.43Å; W894-H898 PolarHBondContact O-N 3.44Å
895	S	47.8	Very low	45.5	Very low	81 Å²	81	141.1 Å²	141.1	57%	0.566	68%	0.678	S	S	*	*	H	α-helix	trans	-68.2	-35.1	177.5	-61	0	0	0	0	112.4	S891 E899	S891-S895 PolarHBondContact O-N 3.16Å; S891-S895 PolarHBondContact O-OG 2.83Å; S895-E899 PolarHBondContact O-N 3.41Å
896	R	46.7	Very low	45.6	Very low	199 Å²	199	139.2 Å²	139.2	75%	0.751	68%	0.679	S	S	*	*	H	α-helix	trans	-69.9	-31.6	175.6	-89.6	179.3	152.7	177.7	-6.3	114.3
897	M	49.8	Very low	45.1	Very low	137 Å²	137	140 Å²	140	68%	0.675	69%	0.685	S	S	*	*	H	α-helix	trans	-77	-29.8	177.8	-83.8	-179.8	58.6	0	0	113.2	T893 W894	T893-M897 PolarHBondContact O-N 3.31Å; W894-M897 PolarHBondContact O-N 3.43Å
898	H	46.8	Very low	44.5	Very low	126 Å²	126	141.9 Å²	141.9	58%	0.583	70%	0.702	S	S	*	*	H	α-helix	trans	-76.7	-26.5	179.2	-153.9	-60	0	0	0	112.3	W894 Q900	W894-H898 PolarHBondContact O-N 3.44Å; H898-Q900 VanDerWaalsContact C-N 3.34Å
899	E	46.2	Very low	44.1	Very low	157 Å²	157	148.4 Å²	148.4	73%	0.734	72%	0.717	S	S	*	*	H	α-helix	trans	-76.8	-19.8	176	-155.1	163.1	-162.7	0	0	112.8	S895	S895-E899 PolarHBondContact O-N 3.41Å
900	Q	45.3	Very low	43.8	Very low	154 Å²	154	148.1 Å²	148.1	72%	0.72	72%	0.72	S	S	*	*	H	α-helix	trans	-88.7	-18	177.4	-147.9	170.3	4.8	0	0	113.5	H898	H898-Q900 VanDerWaalsContact C-N 3.34Å
901	K	43.8	Very low	43.3	Very low	180 Å²	180	150.9 Å²	150.9	78%	0.783	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-7.5	-177	-152.6	175.2	-178.1	179.5	0	114.6
902	M	44.8	Very low	43.5	Very low	159 Å²	159	153.2 Å²	153.2	78%	0.783	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	11.1	176.2	-78.3	-70.7	-172.4	0	0	113.2
903	K	47.3	Very low	42.9	Very low	189 Å²	189	162.9 Å²	162.9	82%	0.822	78%	0.783	S	S	*	*	S	Bend	trans	-117.2	5.5	-175	-129.9	177.2	-177.5	178.6	0	115.9
904	E	39.1	Very low	42.7	Very low	170 Å²	170	166.8 Å²	166.8	79%	0.794	80%	0.796	S	S	*	*			trans	-141.5	117.2	173.2	-68.5	176.8	163.9	0	0	105.1
905	E	35.2	Very low	42.7	Very low	187 Å²	187	164.8 Å²	164.8	87%	0.874	80%	0.797	S	S	*	*			cis	-159.6	163.5	45.6	-96.8	-169.8	144.3	0	0	112.5
906	P	49	Very low	42.4	Very low	119 Å²	119	169.4 Å²	169.4	77%	0.773	81%	0.81	S	S	*	*			trans	-102.3	170.6	-161.8	40.1	-34	0	0	0	116.1
907	E	37.7	Very low	42.1	Very low	182 Å²	182	167.7 Å²	167.7	85%	0.85	81%	0.813	S	S	*	*			trans	-46.8	149.1	161.8	-59.1	175.8	136.5	0	0	114
908	T	35	Very low	41.7	Very low	155 Å²	155	169.6 Å²	169.6	95%	0.951	82%	0.822	S	S	*	*			trans	-159.7	144.3	130.4	19.4	0	0	0	0	110.6
909	R	40.3	Very low	41.3	Very low	222 Å²	222	172.5 Å²	172.5	84%	0.838	84%	0.838	S	S	*	*			trans	-112.3	161.1	-166.9	-130.1	-174.8	-172.2	172.1	0.6	109.5
910	D	38.5	Very low	41	Very low	142 Å²	142	173.6 Å²	173.6	76%	0.759	85%	0.845	S	S	*	*			trans	91.7	131.2	148	-59.2	-24.1	0	0	0	122.1
911	E	34.1	Very low	40.6	Very low	186 Å²	186	175.2 Å²	175.2	87%	0.869	86%	0.855	S	S	*	*			trans	-42.1	172.8	160.4	-79.1	-175.6	171.9	0	0	115.1
912	P	47.9	Very low	40.4	Very low	115 Å²	115	174.8 Å²	174.8	75%	0.747	86%	0.861	S	S	*	*			cis	-150	160.9	33.7	40	-18	0	0	0	119.6
913	Q	35.5	Very low	40	Very low	271 Å²	271	176.2 Å²	176.2	100%	1.266	87%	0.868	S	S	*	*				164.7	0	123.7	-103.4	-170.5	-17	0	0	111.7

Retrieved 913 of 913 residues in 292.7 ms (Link to these results)

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