A0A087YLN3_POEFO Loading...

ABR activator of RhoGEF and GTPase

AlphaFold DB , UniProt , Accession A0A087YLN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 827 aa.

						>A0A087YLN3_POEFO|A0A087YLN3
MEEEEEEVLGYLDKVLEEEDEIFLRVVETDLTRRAEVGPSSPSLRSVKGDVEKGLEMKKLVLSGFLASEEIYINQLEALVLPMRPLKAAATSSQPVLTMQQIETIFYKVQDIFEIHKEFYDALLPSIQRWDEKVTVGHLFQKLASQLGVYKAFVDNYKNALETAEKCSQANIQFQKISETVRVKGPKDSKDSSTKSSMEDLLYKPIDRVTRSTLVLHDLLKHTPKDHPDFPLLQDALRISQNFLSSINEEIDPRRTAVTTPKGEARQLVKDGFLVELSESSRKLRHVFLFTDLLLCAKMKKTAVGQNSELDIKYCHPLADLTFQTLDDSDSCPSIQVLPEHEIEEMKMKISVLKNEIQKEKKAPKGQSRAERLRKKMNEQESWLLLHSPTIPFRIHNKHGKSYLFLLSSDYERAEWKESIQKLQKKDLQACVLTSVELQVLTSSCFKLRTVHNIPVTTNKDDEETPGLYGFLHVIVRSATGFKESANLYCTLEVDSFGYFVSKAKTRVFRDTAEPQWNEEFEIELEGSQYLRILCYEKCFDKSMLNKDDNEIVDKIMGKGQVQLDPQTVQSKNWHMDVIEMNGIKVEFSMKFTSRDLSLKRTPSKKQSGVFGVKINVVTKRERSKVPYIVRQCIEEVEKRGIDEVGIYRISGVATDIQALKLAFDTNTKDILVMLSDMDINAIAGTLKLYFRELPEPLLTDRLYPAFMEGIALSDPAAKENCMMHLLRSLPDPNLMTFLTLLEHLKRVAEKEPVNKMSLHNLATVFGPTLLRPSESESAKGQHITCASDIWSHDVMAQVQVLLYYLQHPPISFAELKRNTLYFSTDV
					

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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	32.6	Very low	30.5	Very low	183 Å²	183	134 Å²	134	90%	0.901	66%	0.656	S	S	*	*				0	-66.8	0	-95.1	-161.3	-63.4	0	0	112.6	E4 E5	M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.09Å; M1-E5 PolarHBondContact O-N 3.3Å
2	E	26.3	Very low	30.5	Very low	162 Å²	162	127.1 Å²	127.1	76%	0.757	62%	0.623	S	S	*	*	H	α-helix	trans	-73.3	-37.5	171.7	-81.7	175.9	169.6	0	0	112.5	E4 E5 E6	E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 3.18Å; E2-E5 PolarHBondContact O-N 3.16Å; E2-E6 PolarHBondContact O-N 2.73Å
3	E	26.3	Very low	30.6	Very low	167 Å²	167	125.6 Å²	125.6	78%	0.78	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-23.7	174.7	-77	177.3	155.8	0	0	113.4	E7	E3-E7 WeakPolarHBondContact O-CB 3.27Å; E3-E7 PolarHBondContact O-N 2.83Å
4	E	30.5	Very low	30.7	Very low	121 Å²	121	126.9 Å²	126.9	57%	0.565	62%	0.62	S	S	*	*	H	α-helix	trans	-85.2	-26.3	179.6	-75.8	159.6	151.5	0	0	112.2	M1 E2 V8	M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.09Å; E2-E4 VanDerWaalsContact C-N 3.26Å; E2-E4 PolarHBondContact O-N 3.18Å; E4-V8 WeakPolarHBondContact O-CG2 3.06Å; E4-V8 PolarHBondContact O-N 2.76Å
5	E	31.7	Very low	30.9	Very low	140 Å²	140	121.6 Å²	121.6	65%	0.654	60%	0.598	S	S	*	*	H	α-helix	trans	-78.3	-35.5	174.7	-82.8	-177.9	153.9	0	0	112.3	M1 E2 L9	M1-E5 PolarHBondContact O-N 3.3Å; E2-E5 PolarHBondContact O-N 3.16Å; E5-L9 PolarHBondContact O-N 3.44Å
6	E	30.9	Very low	31	Very low	153 Å²	153	118.4 Å²	118.4	72%	0.715	58%	0.584	S	S	*	*	H	α-helix	trans	-71.1	-34.9	174.8	-116.8	-178.7	176.9	0	0	112.2	E2 V8 G10	E2-E6 PolarHBondContact O-N 2.73Å; E6-V8 VanDerWaalsContact C-N 3.35Å; E6-G10 PolarHBondContact O-N 2.62Å
7	E	32.3	Very low	31.2	Very low	144 Å²	144	120 Å²	120	67%	0.673	59%	0.589	S	S	*	*	H	α-helix	trans	-69.7	-32.6	178.3	-150.7	172	-161.2	0	0	111.9	E3 Y11	E3-E7 WeakPolarHBondContact O-CB 3.27Å; E3-E7 PolarHBondContact O-N 2.83Å; E7-Y11 WeakPolarHBondContact O-CB 3.26Å; E7-Y11 PolarHBondContact O-N 3.19Å; E7-Y11 VanDerWaalsContact O-N 3.09Å
8	V	32	Very low	31.2	Very low	93 Å²	93	120.9 Å²	120.9	56%	0.564	59%	0.592	S	S	*	*	H	α-helix	trans	-73.1	-40.1	175.8	171	0	0	0	0	112.2	E4 E6 Y11 L12	E4-V8 WeakPolarHBondContact O-CG2 3.06Å; E4-V8 PolarHBondContact O-N 2.76Å; E6-V8 VanDerWaalsContact C-N 3.35Å; V8-Y11 PolarHBondContact O-N 2.64Å; V8-L12 HydrophobicContact CG1-CD1 4.34Å; V8-L12 WeakPolarHBondContact O-CD1 3.22Å; V8-L12 WeakPolarHBondContact O-CG 3.17Å; V8-L12 PolarHBondContact O-N 2.88Å; V8-L12 VanDerWaalsContact O-N 3.13Å
9	L	32.9	Very low	31.6	Very low	112 Å²	112	118.9 Å²	118.9	59%	0.586	58%	0.581	S	S	*	*	H	α-helix	trans	-69.5	-38.5	174.6	-72.4	168	0	0	0	112.1	E5 Y11 L12 D13	E5-L9 PolarHBondContact O-N 3.44Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.04Å; L9-L12 HydrophobicContact CD2-CD1 4.16Å; L9-L12 WeakPolarHBondContact O-CB 3.38Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-D13 PolarHBondContact O-N 3.24Å
10	G	28.9	Very low	31.8	Very low	37 Å²	37	118 Å²	118	38%	0.381	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-23.5	173.8	0	0	0	0	0	114.3	E6	E6-G10 PolarHBondContact O-N 2.62Å
11	Y	31.4	Very low	31.9	Very low	162 Å²	162	117.3 Å²	117.3	64%	0.635	57%	0.574	S	S	*	*	H	α-helix	trans	-77.4	-33.5	170.9	-137.6	-93	0	0	0	111.8	E7 V8 L9 V15	E7-Y11 WeakPolarHBondContact O-CB 3.26Å; E7-Y11 PolarHBondContact O-N 3.19Å; E7-Y11 VanDerWaalsContact O-N 3.09Å; V8-Y11 PolarHBondContact O-N 2.64Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.04Å; Y11-V15 HydrophobicContact CD1-CG2 4.14Å; Y11-V15 HydrophobicContact CE1-CG2 4.39Å; Y11-V15 VanDerWaalsContact O-CG2 3.29Å; Y11-V15 WeakPolarHBondContact O-CG2 3.39Å; Y11-V15 PolarHBondContact O-N 3.28Å
12	L	30	Very low	32	Very low	51 Å²	51	113.6 Å²	113.6	27%	0.267	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-44.3	176.2	-80.7	157.5	0	0	0	112.1	V8 L9 V15 L16 Y203	V8-L12 HydrophobicContact CG1-CD1 4.34Å; V8-L12 WeakPolarHBondContact O-CD1 3.22Å; V8-L12 WeakPolarHBondContact O-CG 3.17Å; V8-L12 PolarHBondContact O-N 2.88Å; V8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 HydrophobicContact CD2-CD1 4.16Å; L9-L12 WeakPolarHBondContact O-CB 3.38Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-V15 PolarHBondContact O-N 3.38Å; L12-L16 WeakPolarHBondContact O-CD1 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 2.8Å; L12-L16 VanDerWaalsContact O-N 3.14Å; L12-Y203 HydrophobicContact CD2-CE1 3.67Å
13	D	31.9	Very low	32.3	Very low	108 Å²	108	112.3 Å²	112.3	58%	0.578	55%	0.55	S	S	*	.	H	α-helix	trans	-66.3	-39.2	178	-82.5	-14.7	0	0	0	112.7	L9 V15 L16 E17	L9-D13 PolarHBondContact O-N 3.24Å; D13-V15 PolarHBondContact O-N 2.92Å; D13-L16 PolarHBondContact O-N 3.11Å; D13-E17 PolarHBondContact O-N 2.9Å; D13-E17 VanDerWaalsContact O-N 3.08Å
14	K	32.3	Very low	32.7	Very low	143 Å²	143	109.5 Å²	109.5	62%	0.622	54%	0.539	S	S	*	.	H	α-helix	trans	-67.6	-34.7	178.4	-81.4	179.6	176.5	172.3	0	113.8	E18	K14-E18 PolarHBondContact O-N 2.62Å
15	V	33.3	Very low	32.8	Very low	48 Å²	48	110.6 Å²	110.6	29%	0.291	54%	0.538	S	S	.	.	H	α-helix	trans	-76.4	-29.3	177.9	174.5	0	0	0	0	111.2	Y11 L12 D13 E19	Y11-V15 HydrophobicContact CD1-CG2 4.14Å; Y11-V15 HydrophobicContact CE1-CG2 4.39Å; Y11-V15 VanDerWaalsContact O-CG2 3.29Å; Y11-V15 WeakPolarHBondContact O-CG2 3.39Å; Y11-V15 PolarHBondContact O-N 3.28Å; L12-V15 PolarHBondContact O-N 3.38Å; D13-V15 PolarHBondContact O-N 2.92Å; V15-E19 PolarHBondContact O-N 2.79Å
16	L	32.8	Very low	32.9	Very low	71 Å²	71	108.5 Å²	108.5	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-67.2	-42.1	171.9	-71.4	167.7	0	0	0	111.7	L12 D13 D20	L12-L16 WeakPolarHBondContact O-CD1 3.12Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 2.8Å; L12-L16 VanDerWaalsContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 3.11Å; L16-D20 WeakPolarHBondContact O-CB 3.35Å; L16-D20 PolarHBondContact O-N 3.24Å; L16-D20 VanDerWaalsContact O-N 3.13Å
17	E	34.2	Very low	33.1	Very low	145 Å²	145	104.4 Å²	104.4	68%	0.678	52%	0.52	S	S	*	.	H	α-helix	trans	-65.8	-40.7	176.4	-73.4	-176.6	164.2	0	0	113.1	D13 E21	D13-E17 PolarHBondContact O-N 2.9Å; D13-E17 VanDerWaalsContact O-N 3.08Å; E17-E21 PolarHBondContact O-N 3.44Å
18	E	32	Very low	33.1	Very low	137 Å²	137	103.7 Å²	103.7	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-71.4	-28.4	-178.8	-76.8	-174.5	170.2	0	0	113.4	K14	K14-E18 PolarHBondContact O-N 2.62Å
19	E	38.5	Very low	33.2	Very low	83 Å²	83	103.8 Å²	103.8	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-87.8	-29.9	177.8	-71.8	-171	164.3	0	0	113.4	V15 E21 I22 F23 R211	V15-E19 PolarHBondContact O-N 2.79Å; E19-E21 PolarHBondContact O-N 2.84Å; E19-I22 WeakPolarHBondContact O-CB 3.33Å; E19-I22 PolarHBondContact O-N 3.14Å; E19-F23 PolarHBondContact O-N 3.43Å; E19-R211 IonicContact OE2-NH1 3.16Å
20	D	35	Very low	33.3	Very low	100 Å²	100	103.3 Å²	103.3	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-33.4	169.9	-85.5	-17.1	0	0	0	111.5	L16 I22 F23 L24	L16-D20 WeakPolarHBondContact O-CB 3.35Å; L16-D20 PolarHBondContact O-N 3.24Å; L16-D20 VanDerWaalsContact O-N 3.13Å; D20-I22 VanDerWaalsContact C-N 3.3Å; D20-I22 PolarHBondContact O-N 3.17Å; D20-F23 PolarHBondContact O-N 3.12Å; D20-L24 WeakPolarHBondContact O-CB 3.49Å; D20-L24 VanDerWaalsContact O-CG 3.31Å; D20-L24 WeakPolarHBondContact O-CG 3.35Å; D20-L24 PolarHBondContact O-N 2.89Å
21	E	33.3	Very low	33.5	Very low	103 Å²	103	107.2 Å²	107.2	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-34.9	171.2	-120.3	-151	142.6	0	0	112.3	E17 E19 R25	E17-E21 PolarHBondContact O-N 3.44Å; E19-E21 PolarHBondContact O-N 2.84Å; E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 VanDerWaalsContact O-CG 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.43Å; E21-R25 PolarHBondContact O-N 2.81Å; E21-R25 IonicContact OE1-CZ 3.81Å; E21-R25 IonicContact OE1-NE 3.16Å; E21-R25 IonicContact OE1-NH2 2.8Å; E21-R25 PolarHBondContact OE1-NH2 3.26Å; E21-R25 IonicContact OE2-NH2 3.94Å; E21-R25 PolarHBondContact OE2-NH2 2.97Å
22	I	34.9	Very low	33.6	Very low	105 Å²	105	104.6 Å²	104.6	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-75.1	-41.5	178.5	-63.7	171.2	0	0	0	110.3	E19 D20 R25 V26	E19-I22 WeakPolarHBondContact O-CB 3.33Å; E19-I22 PolarHBondContact O-N 3.14Å; D20-I22 VanDerWaalsContact C-N 3.3Å; D20-I22 PolarHBondContact O-N 3.17Å; I22-R25 PolarHBondContact O-N 3.23Å; I22-V26 WeakPolarHBondContact O-CG2 3.5Å; I22-V26 PolarHBondContact O-N 3.24Å; I22-V26 VanDerWaalsContact O-N 3.14Å
23	F	33.9	Very low	33.9	Very low	136 Å²	136	112.3 Å²	112.3	60%	0.596	55%	0.554	S	S	*	*	H	α-helix	trans	-62	-44.2	175	-173.3	-100	0	0	0	111.5	E19 D20 V26 V27	E19-F23 PolarHBondContact O-N 3.43Å; D20-F23 PolarHBondContact O-N 3.12Å; F23-V26 PolarHBondContact O-N 2.84Å; F23-V27 HydrophobicContact CE1-CG2 4.45Å; F23-V27 VanDerWaalsContact O-CG2 3.31Å; F23-V27 WeakPolarHBondContact O-CG2 3.24Å; F23-V27 PolarHBondContact O-N 3.29Å
24	L	34.1	Very low	34.1	Very low	108 Å²	108	116.3 Å²	116.3	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-65.2	-40.1	175.8	-75	165.9	0	0	0	112.7	D20 V26 V27 E28	D20-L24 WeakPolarHBondContact O-CB 3.49Å; D20-L24 VanDerWaalsContact O-CG 3.31Å; D20-L24 WeakPolarHBondContact O-CG 3.35Å; D20-L24 PolarHBondContact O-N 2.89Å; L24-V26 PolarHBondContact O-N 2.87Å; L24-V27 PolarHBondContact O-N 3.22Å; L24-E28 PolarHBondContact O-N 2.93Å
25	R	32.4	Very low	34	Very low	143 Å²	143	113.9 Å²	113.9	54%	0.54	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-35.1	177.8	-80.3	178.1	-172.8	172.9	12.5	113.6	E21 I22 T29	E21-R25 WeakPolarHBondContact O-CB 3.46Å; E21-R25 VanDerWaalsContact O-CG 3.24Å; E21-R25 WeakPolarHBondContact O-CG 3.43Å; E21-R25 PolarHBondContact O-N 2.81Å; E21-R25 IonicContact OE1-CZ 3.81Å; E21-R25 IonicContact OE1-NE 3.16Å; E21-R25 IonicContact OE1-NH2 2.8Å; E21-R25 PolarHBondContact OE1-NH2 3.26Å; E21-R25 IonicContact OE2-NH2 3.94Å; E21-R25 PolarHBondContact OE2-NH2 2.97Å; I22-R25 PolarHBondContact O-N 3.23Å; R25-T29 PolarHBondContact O-N 2.67Å; R25-T29 PolarHBondContact O-OG1 3.13Å
26	V	34.5	Very low	33.9	Very low	97 Å²	97	120.4 Å²	120.4	59%	0.588	60%	0.595	S	S	*	*	H	α-helix	trans	-70.1	-35.7	175.5	173.9	0	0	0	0	111.1	I22 F23 L24 T29	I22-V26 WeakPolarHBondContact O-CG2 3.5Å; I22-V26 PolarHBondContact O-N 3.24Å; I22-V26 VanDerWaalsContact O-N 3.14Å; F23-V26 PolarHBondContact O-N 2.84Å; L24-V26 PolarHBondContact O-N 2.87Å; V26-T29 PolarHBondContact O-OG1 3.2Å
27	V	35.3	Very low	33.9	Very low	66 Å²	66	123.9 Å²	123.9	40%	0.4	62%	0.619	S	S	.	*	H	α-helix	trans	-71	-38.3	175.8	174.7	0	0	0	0	111.8	F23 L24 L31	F23-V27 HydrophobicContact CE1-CG2 4.45Å; F23-V27 VanDerWaalsContact O-CG2 3.31Å; F23-V27 WeakPolarHBondContact O-CG2 3.24Å; F23-V27 PolarHBondContact O-N 3.29Å; L24-V27 PolarHBondContact O-N 3.22Å; V27-L31 HydrophobicContact CG1-CD1 3.94Å; V27-L31 WeakPolarHBondContact O-CD1 3.34Å; V27-L31 WeakPolarHBondContact O-CG 3.17Å; V27-L31 PolarHBondContact O-N 2.82Å
28	E	32.3	Very low	33.7	Very low	130 Å²	130	120.1 Å²	120.1	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-70	-33.8	177.6	-80.6	-172.3	148.7	0	0	114	L24 D30 L31 T32	L24-E28 PolarHBondContact O-N 2.93Å; E28-D30 VanDerWaalsContact C-N 3.29Å; E28-D30 PolarHBondContact O-N 2.81Å; E28-L31 PolarHBondContact O-N 3.01Å; E28-T32 PolarHBondContact O-N 2.97Å; E28-T32 PolarHBondContact O-OG1 2.76Å
29	T	34.3	Very low	33.8	Very low	94 Å²	94	120 Å²	120	58%	0.577	63%	0.63	S	S	*	*	H	α-helix	trans	-70.7	-23.3	179.7	23.4	0	0	0	0	113.4	R25 V26 T32	R25-T29 PolarHBondContact O-N 2.67Å; R25-T29 PolarHBondContact O-OG1 3.13Å; V26-T29 PolarHBondContact O-OG1 3.2Å; T29-T32 PolarHBondContact O-OG1 3.17Å
30	D	34.1	Very low	33.5	Very low	102 Å²	102	122 Å²	122	55%	0.545	65%	0.653	S	S	.	*	H	α-helix	trans	-91	-29.2	176.6	-125	-3.1	0	0	0	112.6	E28 T32 R33	E28-D30 VanDerWaalsContact C-N 3.29Å; E28-D30 PolarHBondContact O-N 2.81Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 PolarHBondContact O-N 2.88Å; D30-R33 PolarHBondContact O-N 3.43Å
31	L	33.6	Very low	33.3	Very low	119 Å²	119	123 Å²	123	62%	0.623	67%	0.667	S	S	*	*	H	α-helix	trans	-67.1	-32.2	175	-77	166.6	0	0	0	112.9	V27 E28 R33 R34	V27-L31 HydrophobicContact CG1-CD1 3.94Å; V27-L31 WeakPolarHBondContact O-CD1 3.34Å; V27-L31 WeakPolarHBondContact O-CG 3.17Å; V27-L31 PolarHBondContact O-N 2.82Å; E28-L31 PolarHBondContact O-N 3.01Å; L31-R33 VanDerWaalsContact C-N 3.28Å; L31-R33 PolarHBondContact O-N 2.96Å; L31-R34 PolarHBondContact O-N 2.79Å
32	T	33.2	Very low	33.5	Very low	108 Å²	108	123.8 Å²	123.8	66%	0.663	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-17.2	178.3	37.9	0	0	0	0	113.7	E28 T29 D30	E28-T32 PolarHBondContact O-N 2.97Å; E28-T32 PolarHBondContact O-OG1 2.76Å; T29-T32 PolarHBondContact O-OG1 3.17Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 PolarHBondContact O-N 2.88Å
33	R	35.3	Very low	33.6	Very low	213 Å²	213	124.3 Å²	124.3	80%	0.804	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-14.3	175.6	-82.7	-177.7	173.5	178.3	0.2	114.9	D30 L31	D30-R33 PolarHBondContact O-N 3.43Å; L31-R33 VanDerWaalsContact C-N 3.28Å; L31-R33 PolarHBondContact O-N 2.96Å
34	R	37.3	Very low	33.5	Very low	191 Å²	191	126.6 Å²	126.6	72%	0.721	71%	0.712	S	S	*	*	S	Bend	trans	-103.2	5.9	-173.4	-81.7	-177.3	172.8	-174.4	-1.4	115	L31 E36 E56	L31-R34 PolarHBondContact O-N 2.79Å; R34-E36 VanDerWaalsContact C-N 3.27Å; R34-E36 PolarHBondContact O-N 3.04Å; R34-E56 IonicContact CZ-OE1 2.74Å; R34-E56 IonicContact NH1-OE1 3.63Å; R34-E56 PolarHBondContact NH1-OE1 2.83Å; R34-E56 VanDerWaalsContact NH1-OE1 3.08Å; R34-E56 IonicContact NH2-OE1 2.72Å; R34-E56 PolarHBondContact NH2-OE1 3.46Å
35	A	30	Very low	33.4	Very low	92 Å²	92	132.2 Å²	132.2	76%	0.76	73%	0.726	S	S	*	*			trans	-80.5	18.1	-175.8	0	0	0	0	0	116.2
36	E	31.3	Very low	33.8	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	73%	0.728	S	S	*	*			trans	-125.7	57.9	-179.5	-69.9	-165.5	162.1	0	0	114.3	R34	R34-E36 VanDerWaalsContact C-N 3.27Å; R34-E36 PolarHBondContact O-N 3.04Å
37	V	32.4	Very low	34.2	Very low	145 Å²	145	130.3 Å²	130.3	88%	0.879	73%	0.734	S	S	*	*			trans	-151.2	127.4	153.1	-167.5	0	0	0	0	110.8
38	G	30	Very low	34.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	75%	0.751	S	S	*	*			trans	-78.3	179.2	-172.2	0	0	0	0	0	117.4
39	P	35.1	Very low	35.5	Very low	136 Å²	136	131 Å²	131	88%	0.883	74%	0.738	S	S	*	*			trans	-95.5	143.6	-159.8	35.8	-31.7	0	0	0	114.1
40	S	30.3	Very low	36.6	Very low	125 Å²	125	131.7 Å²	131.7	87%	0.874	74%	0.739	S	S	*	*			trans	-143.6	150.6	157.4	58.7	0	0	0	0	112.1
41	S	31.2	Very low	37.9	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	73%	0.733	S	S	*	*			trans	-72	163.4	-151.3	50.7	0	0	0	0	118.9
42	P	38.8	Very low	39.5	Very low	121 Å²	121	130.2 Å²	130.2	79%	0.786	73%	0.73	S	S	*	*			trans	-106.4	139.7	-169.9	38.1	-27.7	0	0	0	114.6
43	S	35.7	Very low	41.4	Very low	116 Å²	116	131.6 Å²	131.6	81%	0.811	73%	0.727	S	S	*	*	S	Bend	trans	179	141	133.6	41.4	0	0	0	0	109.3
44	L	31.5	Very low	43.4	Very low	184 Å²	184	122.1 Å²	122.1	96%	0.963	70%	0.695	S	S	*	*	S	Bend	trans	81.6	-3.1	-176.2	-117.8	80.6	0	0	0	119.7
45	R	33.6	Very low	45.5	Very low	226 Å²	226	113.6 Å²	113.6	85%	0.853	66%	0.664	S	S	*	*			trans	-95.3	-9.8	173.6	-84.4	-175.8	179	-178.7	-0.8	116	V47 G49	R45-V47 PolarHBondContact O-N 3.36Å; R45-G49 PolarHBondContact O-N 3.42Å
46	S	40.9	Very low	47.9	Very low	85 Å²	85	113.2 Å²	113.2	59%	0.594	65%	0.646	S	S	*	*	H	α-helix	trans	-69.6	-34.4	-163.3	80.9	0	0	0	0	114.9	K48 G49 D50	S46-K48 PolarHBondContact O-N 3.17Å; S46-G49 PolarHBondContact O-N 3.39Å; S46-D50 PolarHBondContact O-N 2.87Å
47	V	41.6	Very low	50.4	Low	115 Å²	115	108 Å²	108	70%	0.697	62%	0.623	S	S	*	*	H	α-helix	trans	-71.1	-34	-177	-174.5	0	0	0	0	112.6	R45	R45-V47 PolarHBondContact O-N 3.36Å
48	K	44	Very low	53	Low	178 Å²	178	101.2 Å²	101.2	77%	0.774	58%	0.581	S	S	*	*	H	α-helix	trans	-73.2	-38.9	172.9	-87.6	-172.8	172.2	-173	0	111.9	S46 D50 V51 E52	S46-K48 PolarHBondContact O-N 3.17Å; K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 3.03Å; K48-V51 PolarHBondContact O-N 2.95Å; K48-E52 WeakPolarHBondContact O-CB 3.37Å; K48-E52 PolarHBondContact O-N 3.12Å; K48-E52 VanDerWaalsContact O-N 3.13Å
49	G	51.6	Low	55.7	Low	32 Å²	32	101.8 Å²	101.8	33%	0.33	57%	0.566	S	S	.	*	H	α-helix	trans	-64	-34.5	178.3	0	0	0	0	0	113.6	R45 S46 K53	R45-G49 PolarHBondContact O-N 3.42Å; S46-G49 PolarHBondContact O-N 3.39Å; G49-K53 WeakPolarHBondContact O-CB 3.31Å; G49-K53 PolarHBondContact O-N 2.84Å
50	D	56.9	Low	58.1	Low	109 Å²	109	100 Å²	100	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-71.2	-35.2	178.8	-73.2	-27.1	0	0	0	112.9	S46 K48 G54	S46-D50 PolarHBondContact O-N 2.87Å; K48-D50 VanDerWaalsContact C-N 3.33Å; K48-D50 PolarHBondContact O-N 3.03Å; D50-G54 PolarHBondContact O-N 3.19Å
51	V	61.5	Low	60.7	Low	70 Å²	70	95.6 Å²	95.6	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-71.7	-43.4	176.1	177.8	0	0	0	0	111.1	K48 G54 L55 P224	K48-V51 PolarHBondContact O-N 2.95Å; V51-G54 PolarHBondContact O-N 3.43Å; V51-L55 HydrophobicContact CG1-CD1 4.36Å; V51-L55 PolarHBondContact O-N 2.97Å; V51-P224 HydrophobicContact CG1-CG 4.08Å
52	E	66.4	Low	63.5	Low	119 Å²	119	89.9 Å²	89.9	56%	0.556	48%	0.476	S	S	*	.	H	α-helix	trans	-63.6	-42.8	177.3	-165.8	173.3	179.8	0	0	111	K48 G54 L55 E56	K48-E52 WeakPolarHBondContact O-CB 3.37Å; K48-E52 PolarHBondContact O-N 3.12Å; K48-E52 VanDerWaalsContact O-N 3.13Å; E52-G54 PolarHBondContact O-N 3.11Å; E52-L55 PolarHBondContact O-N 3.24Å; E52-E56 PolarHBondContact O-N 3.18Å
53	K	73.9	Confident	65.8	Low	138 Å²	138	86.3 Å²	86.3	60%	0.6	45%	0.454	S	S	*	.	H	α-helix	trans	-64.8	-37.1	173.3	-170.3	177.6	-178.6	-177.1	0	112.6	G49 E56 M57	G49-K53 WeakPolarHBondContact O-CB 3.31Å; G49-K53 PolarHBondContact O-N 2.84Å; K53-E56 PolarHBondContact O-N 3.29Å; K53-M57 WeakPolarHBondContact O-CG 3.2Å; K53-M57 PolarHBondContact O-N 2.96Å
54	G	77.9	Confident	68.2	Low	14 Å²	14	82.3 Å²	82.3	14%	0.144	43%	0.431	C	S	.	.	H	α-helix	trans	-61.7	-45.2	174.1	0	0	0	0	0	112.5	D50 V51 E52 M57 K58 H222	D50-G54 PolarHBondContact O-N 3.19Å; V51-G54 PolarHBondContact O-N 3.43Å; E52-G54 PolarHBondContact O-N 3.11Å; G54-M57 PolarHBondContact O-N 3.39Å; G54-K58 PolarHBondContact O-N 3.01Å; G54-H222 CarbonylContact C-O 3.54Å
55	L	80.1	Confident	70.9	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-71.1	-31.7	178.4	-69.8	169.4	0	0	0	113	V51 E52 K58 K59 E132	V51-L55 HydrophobicContact CG1-CD1 4.36Å; V51-L55 PolarHBondContact O-N 2.97Å; E52-L55 PolarHBondContact O-N 3.24Å; L55-K58 HydrophobicContact CD2-CD 4.11Å; L55-K58 WeakPolarHBondContact O-CB 3.46Å; L55-K58 PolarHBondContact O-N 3.35Å; L55-K59 PolarHBondContact O-N 2.96Å; L55-E132 HydrophobicContact CD1-CB 3.98Å; L55-E132 HydrophobicContact CD1-CG 4.1Å
56	E	82.3	Confident	73.6	Confident	84 Å²	84	63.9 Å²	63.9	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-65.4	-42.2	171.1	-162.4	178.1	-175.3	0	0	110.8	R34 E52 K53 K59 L60	R34-E56 IonicContact CZ-OE1 2.74Å; R34-E56 IonicContact NH1-OE1 3.63Å; R34-E56 PolarHBondContact NH1-OE1 2.83Å; R34-E56 VanDerWaalsContact NH1-OE1 3.08Å; R34-E56 IonicContact NH2-OE1 2.72Å; R34-E56 PolarHBondContact NH2-OE1 3.46Å; E52-E56 PolarHBondContact O-N 3.18Å; K53-E56 PolarHBondContact O-N 3.29Å; E56-K59 WeakPolarHBondContact O-CB 3.43Å; E56-K59 PolarHBondContact O-N 3.5Å; E56-L60 PolarHBondContact O-N 3.36Å; E56-L60 VanDerWaalsContact O-N 3.08Å
57	M	83.8	Confident	75.7	Confident	76 Å²	76	62.3 Å²	62.3	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-40.9	173.2	-70.4	-62	-65.5	0	0	112.2	K53 G54 K59 L60 V61 H222	K53-M57 WeakPolarHBondContact O-CG 3.2Å; K53-M57 PolarHBondContact O-N 2.96Å; G54-M57 PolarHBondContact O-N 3.39Å; M57-K59 VanDerWaalsContact C-N 3.27Å; M57-K59 PolarHBondContact O-N 3.01Å; M57-L60 PolarHBondContact O-N 3.4Å; M57-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 HydrophobicContact SD-CD1 3.98Å; M57-V61 WeakPolarHBondContact O-CG2 3.39Å; M57-V61 PolarHBondContact O-N 3.01Å; M57-H222 HydrophobicContact CB-CB 4.3Å
58	K	85.1	Confident	78	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-42.2	173.6	-175.1	-171.4	178	-167.5	0	111.3	G54 L55 L62 W130 L219 H222 T223 H227 D229	G54-K58 PolarHBondContact O-N 3.01Å; L55-K58 HydrophobicContact CD2-CD 4.11Å; L55-K58 WeakPolarHBondContact O-CB 3.46Å; L55-K58 PolarHBondContact O-N 3.35Å; K58-L62 HydrophobicContact CG-CD1 4.34Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.23Å; K58-L62 VanDerWaalsContact O-N 3.08Å; K58-W130 HydrophobicContact CD-CH2 4.38Å; K58-W130 HydrophobicContact CG-CH2 4.39Å; K58-L219 HydrophobicContact CG-CD2 4.19Å; K58-H222 HydrophobicContact CB-CB 4.22Å; K58-T223 WeakPolarHBondContact CD-OG1 3.34Å; K58-T223 WeakPolarHBondContact CE-OG1 3.39Å; K58-H227 PolarHBondContact NZ-CE1 2.89Å; K58-D229 IonicContact NZ-OD2 3.21Å; K58-D229 PolarHBondContact NZ-OD2 3.26Å
59	K	87.1	Confident	80.2	Confident	78 Å²	78	50.3 Å²	50.3	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175	-171.6	-173.6	-177.8	178.4	0	111.7	L55 E56 M57 V61 L62 S63 W130	L55-K59 PolarHBondContact O-N 2.96Å; E56-K59 WeakPolarHBondContact O-CB 3.43Å; E56-K59 PolarHBondContact O-N 3.5Å; M57-K59 VanDerWaalsContact C-N 3.27Å; M57-K59 PolarHBondContact O-N 3.01Å; K59-V61 PolarHBondContact O-N 3.31Å; K59-L62 PolarHBondContact O-N 3.25Å; K59-S63 WeakPolarHBondContact O-CB 3.45Å; K59-S63 PolarHBondContact O-N 3.43Å; K59-S63 PolarHBondContact O-OG 2.95Å; K59-S63 VanDerWaalsContact O-OG 3.13Å; K59-W130 HydrophobicContact CB-CD2 4.01Å; K59-W130 HydrophobicContact CB-CE3 4.49Å; K59-W130 HydrophobicContact CB-CH2 4.24Å; K59-W130 HydrophobicContact CB-CZ2 3.72Å; K59-W130 HydrophobicContact CD-CB 4.14Å; K59-W130 HydrophobicContact CD-CD2 3.91Å; K59-W130 HydrophobicContact CD-CG 3.6Å; K59-W130 HydrophobicContact CG-CD2 3.66Å; K59-W130 HydrophobicContact CG-CE3 4.05Å; K59-W130 HydrophobicContact CG-CG 3.92Å; K59-W130 HydrophobicContact CG-CZ2 4.3Å
60	L	85.6	Confident	82.1	Confident	99 Å²	99	50.3 Å²	50.3	52%	0.518	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-45.4	179.8	-71.5	172	0	0	0	111.9	E56 M57 L62 S63 G64	E56-L60 PolarHBondContact O-N 3.36Å; E56-L60 VanDerWaalsContact O-N 3.08Å; M57-L60 PolarHBondContact O-N 3.4Å; M57-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 HydrophobicContact SD-CD1 3.98Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.86Å; L60-S63 PolarHBondContact O-N 3.37Å; L60-G64 PolarHBondContact O-N 3.04Å
61	V	86.1	Confident	83.5	Confident	31 Å²	31	48.7 Å²	48.7	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-45.4	175.5	175	0	0	0	0	110.7	M57 K59 G64 F65 V215 D218 L219	M57-V61 WeakPolarHBondContact O-CG2 3.39Å; M57-V61 PolarHBondContact O-N 3.01Å; K59-V61 PolarHBondContact O-N 3.31Å; V61-G64 PolarHBondContact O-N 3.49Å; V61-F65 WeakPolarHBondContact O-CB 3.34Å; V61-F65 PolarHBondContact O-N 3.3Å; V61-V215 HydrophobicContact CG1-CG1 4.2Å; V61-D218 HydrophobicContact CG1-CB 4.07Å; V61-D218 HydrophobicContact CG2-CB 4.41Å; V61-L219 HydrophobicContact CB-CD2 4.04Å; V61-L219 HydrophobicContact CG1-CD2 3.64Å; V61-L219 HydrophobicContact CG1-CG 3.96Å
62	L	88.6	Confident	85	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-39.3	177.4	-72.6	171.4	0	0	0	113	K58 K59 L60 F65 L66 I127 W130 V136 F140 L219	K58-L62 HydrophobicContact CG-CD1 4.34Å; K58-L62 WeakPolarHBondContact O-CG 3.42Å; K58-L62 PolarHBondContact O-N 3.23Å; K58-L62 VanDerWaalsContact O-N 3.08Å; K59-L62 PolarHBondContact O-N 3.25Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 2.86Å; L62-F65 PolarHBondContact O-N 3.03Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.31Å; L62-I127 HydrophobicContact CB-CD1 3.91Å; L62-I127 HydrophobicContact CB-CG1 4.28Å; L62-I127 WeakPolarHBondContact O-CD1 3.38Å; L62-W130 HydrophobicContact CD1-CH2 3.48Å; L62-W130 VanDerWaalsContact CD1-CH2 3.48Å; L62-W130 HydrophobicContact CD1-CZ3 3.47Å; L62-W130 VanDerWaalsContact CD1-CZ3 3.47Å; L62-V136 HydrophobicContact CD1-CG2 3.78Å; L62-V136 HydrophobicContact CD2-CG2 3.99Å; L62-F140 HydrophobicContact CD2-CE2 3.83Å; L62-F140 HydrophobicContact CD2-CZ 4Å; L62-L219 HydrophobicContact CD1-CD2 4.36Å; L62-L219 HydrophobicContact CD2-CD1 3.82Å; L62-L219 HydrophobicContact CD2-CD2 3.6Å; L62-L219 HydrophobicContact CD2-CG 4.38Å; L62-L219 HydrophobicContact CG-CD2 3.57Å
63	S	87.2	Confident	86.3	Confident	45 Å²	45	40.7 Å²	40.7	32%	0.315	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-43.5	176.6	-66.7	0	0	0	0	111.8	K59 L60 L66 A67 I127	K59-S63 WeakPolarHBondContact O-CB 3.45Å; K59-S63 PolarHBondContact O-N 3.43Å; K59-S63 PolarHBondContact O-OG 2.95Å; K59-S63 VanDerWaalsContact O-OG 3.13Å; L60-S63 PolarHBondContact O-N 3.37Å; S63-L66 PolarHBondContact O-N 3.26Å; S63-A67 PolarHBondContact O-N 2.9Å; S63-I127 WeakPolarHBondContact OG-CG2 3.18Å
64	G	85.8	Confident	87.1	Confident	33 Å²	33	35.2 Å²	35.2	34%	0.34	20%	0.203	S	C	.	.	H	α-helix	trans	-62.4	-43.4	173.4	0	0	0	0	0	111.9	L60 V61 L66 A67 S68	L60-G64 PolarHBondContact O-N 3.04Å; V61-G64 PolarHBondContact O-N 3.49Å; G64-L66 PolarHBondContact O-N 2.95Å; G64-A67 PolarHBondContact O-N 3.32Å; G64-S68 PolarHBondContact O-N 3.36Å
65	F	89.3	Confident	87.7	Confident	6 Å²	6	36 Å²	36	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-44	176.1	-174.3	-117	0	0	0	112.2	V61 L62 A67 S68 E69 F119 L123 F140 V215	V61-F65 WeakPolarHBondContact O-CB 3.34Å; V61-F65 PolarHBondContact O-N 3.3Å; L62-F65 PolarHBondContact O-N 3.03Å; F65-A67 VanDerWaalsContact C-N 3.35Å; F65-A67 PolarHBondContact O-N 2.98Å; F65-S68 PolarHBondContact O-N 3.31Å; F65-S68 PolarHBondContact O-OG 2.98Å; F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.38Å; F65-F119 HydrophobicContact CD1-CE1 4.27Å; F65-F119 AromaticContact CE1-CE1 3.54Å; F65-F119 HydrophobicContact CE1-CE1 3.54Å; F65-F119 AromaticContact CE1-CZ 3.86Å; F65-F119 HydrophobicContact CE1-CZ 3.86Å; F65-F119 HydrophobicContact CZ-CE1 4.47Å; F65-L123 HydrophobicContact CD1-CD2 4.25Å; F65-F140 HydrophobicContact CD1-CE1 4.1Å; F65-F140 AromaticContact CD1-CZ 3.83Å; F65-F140 HydrophobicContact CD1-CZ 3.83Å; F65-F140 AromaticContact CE1-CE1 3.58Å; F65-F140 HydrophobicContact CE1-CE1 3.58Å; F65-F140 AromaticContact CE1-CZ 3.72Å; F65-F140 HydrophobicContact CE1-CZ 3.72Å; F65-F140 HydrophobicContact CZ-CE1 4.08Å; F65-V215 HydrophobicContact CB-CG1 4.1Å; F65-V215 HydrophobicContact CD1-CG1 4.43Å; F65-V215 HydrophobicContact CD2-CB 4.12Å; F65-V215 HydrophobicContact CD2-CG1 3.84Å; F65-V215 HydrophobicContact CD2-CG2 3.65Å; F65-V215 HydrophobicContact CE2-CB 4.33Å; F65-V215 HydrophobicContact CE2-CG1 4.31Å; F65-V215 HydrophobicContact CE2-CG2 4.08Å; F65-V215 HydrophobicContact CG-CG1 3.88Å; F65-V215 HydrophobicContact CG-CG2 4.43Å
66	L	89.6	Confident	88.2	Confident	16 Å²	16	35.5 Å²	35.5	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-41	177.5	-172.1	77.1	0	0	0	112.2	L62 S63 G64 E69 E70 Y120 L123 L124 I127	L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 PolarHBondContact O-N 3.31Å; S63-L66 PolarHBondContact O-N 3.26Å; G64-L66 PolarHBondContact O-N 2.95Å; L66-E69 WeakPolarHBondContact O-CB 3.5Å; L66-E69 PolarHBondContact O-N 3.05Å; L66-E70 PolarHBondContact O-N 3.03Å; L66-Y120 HydrophobicContact CD1-CD2 3.56Å; L66-Y120 HydrophobicContact CD1-CE2 3.67Å; L66-Y120 HydrophobicContact CD1-CG 4.34Å; L66-Y120 HydrophobicContact CG-CD2 4.17Å; L66-Y120 HydrophobicContact CG-CE2 3.8Å; L66-L123 HydrophobicContact CD1-CB 4.06Å; L66-L123 HydrophobicContact CD1-CD2 3.85Å; L66-L123 HydrophobicContact CD1-CG 3.93Å; L66-L124 HydrophobicContact CD1-CB 4.32Å; L66-L124 HydrophobicContact CD2-CB 4.44Å; L66-L124 HydrophobicContact CD2-CD1 3.66Å; L66-I127 HydrophobicContact CB-CD1 3.72Å; L66-I127 HydrophobicContact CD1-CD1 4.2Å; L66-I127 HydrophobicContact CD2-CB 4.35Å; L66-I127 HydrophobicContact CD2-CD1 3.78Å; L66-I127 HydrophobicContact CD2-CG2 4.4Å; L66-I127 HydrophobicContact CG-CD1 4.1Å
67	A	86	Confident	88.7	Confident	53 Å²	53	33.9 Å²	33.9	44%	0.438	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-44.8	174.7	0	0	0	0	0	111.3	S63 G64 F65 E69 E70 I71	S63-A67 PolarHBondContact O-N 2.9Å; G64-A67 PolarHBondContact O-N 3.32Å; F65-A67 VanDerWaalsContact C-N 3.35Å; F65-A67 PolarHBondContact O-N 2.98Å; A67-E69 VanDerWaalsContact C-N 3.27Å; A67-E69 PolarHBondContact O-N 3.45Å; A67-E70 PolarHBondContact O-N 3.22Å; A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 3.36Å
68	S	88.6	Confident	88.9	Confident	40 Å²	40	30.4 Å²	30.4	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-64.4	-31.5	175.2	77.1	0	0	0	0	112.9	G64 F65 I71 Y72 R208	G64-S68 PolarHBondContact O-N 3.36Å; F65-S68 PolarHBondContact O-N 3.31Å; F65-S68 PolarHBondContact O-OG 2.98Å; S68-I71 PolarHBondContact O-N 2.89Å; S68-Y72 WeakPolarHBondContact O-CB 3.26Å; S68-Y72 PolarHBondContact O-N 2.67Å; S68-R208 PolarHBondContact OG-NH1 3.32Å; S68-R208 PolarHBondContact OG-NH2 2.83Å; S68-R208 VanDerWaalsContact OG-NH2 3.16Å
69	E	91.3	Very high	89.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-40.3	177.9	-173.3	75.4	164.6	0	0	111.1	F65 L66 A67 I71 Y72 I73 H116 F119 Y120 R208	F65-E69 WeakPolarHBondContact O-CB 3.43Å; F65-E69 PolarHBondContact O-N 3.38Å; L66-E69 WeakPolarHBondContact O-CB 3.5Å; L66-E69 PolarHBondContact O-N 3.05Å; A67-E69 VanDerWaalsContact C-N 3.27Å; A67-E69 PolarHBondContact O-N 3.45Å; E69-I71 VanDerWaalsContact C-N 3.34Å; E69-I71 PolarHBondContact O-N 2.9Å; E69-Y72 PolarHBondContact O-N 3.14Å; E69-I73 HydrophobicContact CG-CD1 4.03Å; E69-I73 WeakPolarHBondContact O-CB 3.34Å; E69-I73 WeakPolarHBondContact O-CD1 3.4Å; E69-I73 VanDerWaalsContact O-CG1 3.25Å; E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.31Å; E69-H116 VanDerWaalsContact CD-ND1 3.27Å; E69-H116 IonicContact OE1-CE1 3.16Å; E69-H116 IonicContact OE1-CG 2.81Å; E69-H116 IonicContact OE1-ND1 3.47Å; E69-H116 PolarHBondContact OE1-ND1 2.83Å; E69-H116 IonicContact OE2-CE1 3.78Å; E69-H116 IonicContact OE2-ND1 2.9Å; E69-H116 PolarHBondContact OE2-ND1 2.95Å; E69-F119 HydrophobicContact CG-CD1 4.4Å; E69-F119 WeakPolarHBondContact OE1-CD1 3.24Å; E69-Y120 HydrophobicContact CB-CD2 4.15Å; E69-Y120 HydrophobicContact CG-CD2 3.97Å; E69-Y120 HydrophobicContact CG-CG 4.49Å; E69-R208 IonicContact OE2-CZ 3.64Å; E69-R208 IonicContact OE2-NE 3.35Å; E69-R208 PolarHBondContact OE2-NE 3.44Å; E69-R208 IonicContact OE2-NH2 2.76Å; E69-R208 PolarHBondContact OE2-NH2 3.36Å
70	E	90.6	Very high	89.3	Confident	33 Å²	33	26.8 Å²	26.8	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-43.6	173.9	-173.5	166	-155.1	0	0	111.8	L66 A67 I73 N74 Y120 K187	L66-E70 PolarHBondContact O-N 3.03Å; A67-E70 PolarHBondContact O-N 3.22Å; E70-I73 PolarHBondContact O-N 2.88Å; E70-N74 VanDerWaalsContact O-CG 3.27Å; E70-N74 PolarHBondContact O-N 2.6Å; E70-N74 PolarHBondContact O-ND2 3.32Å; E70-Y120 HydrophobicContact CB-CD2 4.46Å; E70-Y120 HydrophobicContact CB-CE2 3.71Å; E70-Y120 HydrophobicContact CG-CE2 4.39Å; E70-Y120 PolarHBondContact OE2-OH 3.01Å; E70-K187 VanDerWaalsContact OE1-CD 3.24Å; E70-K187 WeakPolarHBondContact OE1-CD 3.42Å; E70-K187 VanDerWaalsContact OE1-CE 3.24Å; E70-K187 WeakPolarHBondContact OE1-CE 3.38Å; E70-K187 WeakPolarHBondContact OE1-CG 3.34Å; E70-K187 IonicContact OE1-NZ 3.29Å; E70-K187 PolarHBondContact OE1-NZ 3.38Å
71	I	87.8	Confident	89.4	Confident	74 Å²	74	26.1 Å²	26.1	38%	0.379	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-46.5	176.2	-64	168.1	0	0	0	110.3	A67 S68 E69 I73 N74 Q75	A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 3.36Å; S68-I71 PolarHBondContact O-N 2.89Å; E69-I71 VanDerWaalsContact C-N 3.34Å; E69-I71 PolarHBondContact O-N 2.9Å; I71-I73 PolarHBondContact O-N 3.1Å; I71-N74 WeakPolarHBondContact O-CB 3.44Å; I71-N74 PolarHBondContact O-N 3.38Å; I71-Q75 WeakPolarHBondContact O-CG 3.41Å; I71-Q75 PolarHBondContact O-N 3.05Å
72	Y	92.6	Very high	89.3	Confident	5 Å²	5	25.7 Å²	25.7	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-41.5	179.5	179	-119.5	0	0	0	112.6	S68 E69 N74 Q75 L76 I112 H116 Y150 K204 P205 R208	S68-Y72 WeakPolarHBondContact O-CB 3.26Å; S68-Y72 PolarHBondContact O-N 2.67Å; E69-Y72 PolarHBondContact O-N 3.14Å; Y72-N74 VanDerWaalsContact C-N 3.3Å; Y72-N74 PolarHBondContact O-N 2.71Å; Y72-Q75 WeakPolarHBondContact O-CB 3.43Å; Y72-Q75 PolarHBondContact O-N 2.98Å; Y72-Q75 VanDerWaalsContact O-N 3.15Å; Y72-L76 HydrophobicContact CD1-CD1 4.07Å; Y72-L76 HydrophobicContact CD2-CG 4.42Å; Y72-L76 HydrophobicContact CE1-CD1 3.48Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.48Å; Y72-L76 HydrophobicContact CE1-CG 4.15Å; Y72-L76 HydrophobicContact CE2-CD1 4.2Å; Y72-L76 HydrophobicContact CE2-CD2 4.1Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 WeakPolarHBondContact O-CG 3.39Å; Y72-L76 PolarHBondContact O-N 2.84Å; Y72-I112 WeakPolarHBondContact OH-CG2 3.22Å; Y72-H116 HydrophobicContact CD1-CB 4.41Å; Y72-H116 AromaticContact CD1-CG 3.95Å; Y72-H116 AromaticContact CD1-ND1 3.74Å; Y72-H116 HydrophobicContact CE1-CB 4.31Å; Y72-H116 AromaticContact CE1-CD2 3.84Å; Y72-H116 AromaticContact CE1-CE1 3.92Å; Y72-H116 AromaticContact CE1-CG 3.62Å; Y72-H116 AromaticContact CE1-ND1 3.66Å; Y72-Y150 PolarHBondContact OH-OH 2.89Å; Y72-K204 HydrophobicContact CD2-CB 4.23Å; Y72-K204 HydrophobicContact CE2-CB 3.89Å; Y72-P205 WeakPolarHBondContact OH-CA 3.18Å; Y72-P205 WeakPolarHBondContact OH-CB 3.45Å; Y72-R208 HydrophobicContact CD1-CB 4.31Å; Y72-R208 HydrophobicContact CD1-CG 3.61Å; Y72-R208 HydrophobicContact CD2-CB 4.15Å; Y72-R208 HydrophobicContact CD2-CG 4.25Å; Y72-R208 HydrophobicContact CE1-CB 3.9Å; Y72-R208 HydrophobicContact CE1-CG 3.47Å; Y72-R208 VanDerWaalsContact CE1-CG 3.47Å; Y72-R208 HydrophobicContact CE2-CB 3.75Å; Y72-R208 HydrophobicContact CE2-CG 4.15Å; Y72-R208 HydrophobicContact CG-CB 4.42Å; Y72-R208 HydrophobicContact CG-CG 4Å
73	I	93.4	Very high	89.2	Confident	17 Å²	17	26.1 Å²	26.1	9%	0.087	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-40.3	174.4	-70.5	163.7	0	0	0	110.9	E69 E70 I71 Q75 L76 E77 F113 H116 Y120	E69-I73 HydrophobicContact CG-CD1 4.03Å; E69-I73 WeakPolarHBondContact O-CB 3.34Å; E69-I73 WeakPolarHBondContact O-CD1 3.4Å; E69-I73 VanDerWaalsContact O-CG1 3.25Å; E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.31Å; E70-I73 PolarHBondContact O-N 2.88Å; I71-I73 PolarHBondContact O-N 3.1Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 2.65Å; I73-L76 PolarHBondContact O-N 3.44Å; I73-E77 WeakPolarHBondContact O-CB 3.29Å; I73-E77 PolarHBondContact O-N 3.02Å; I73-F113 HydrophobicContact CG2-CD2 4.31Å; I73-F113 HydrophobicContact CG2-CE2 3.73Å; I73-H116 HydrophobicContact CG1-CB 4.11Å; I73-Y120 HydrophobicContact CD1-CD1 4.48Å; I73-Y120 HydrophobicContact CD1-CD2 4.15Å; I73-Y120 HydrophobicContact CD1-CG 3.78Å
74	N	90.1	Very high	89.2	Confident	23 Å²	23	30.8 Å²	30.8	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-36.8	175.6	-70	-25.2	0	0	0	112.1	E70 I71 Y72 E77 A78 V183 K184	E70-N74 VanDerWaalsContact O-CG 3.27Å; E70-N74 PolarHBondContact O-N 2.6Å; E70-N74 PolarHBondContact O-ND2 3.32Å; I71-N74 WeakPolarHBondContact O-CB 3.44Å; I71-N74 PolarHBondContact O-N 3.38Å; Y72-N74 VanDerWaalsContact C-N 3.3Å; Y72-N74 PolarHBondContact O-N 2.71Å; N74-E77 PolarHBondContact O-N 2.94Å; N74-A78 WeakPolarHBondContact O-CB 3.46Å; N74-A78 PolarHBondContact O-N 3.18Å; N74-V183 HydrophobicContact CB-CG1 4.17Å; N74-K184 WeakPolarHBondContact CB-O 3.43Å; N74-K184 PolarHBondContact ND2-O 3.49Å
75	Q	90.4	Very high	89.1	Confident	30 Å²	30	33 Å²	33	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-44.6	174.6	-71	168	-9.8	0	0	111.4	I71 Y72 I73 A78 L79 V183 L201	I71-Q75 WeakPolarHBondContact O-CG 3.41Å; I71-Q75 PolarHBondContact O-N 3.05Å; Y72-Q75 WeakPolarHBondContact O-CB 3.43Å; Y72-Q75 PolarHBondContact O-N 2.98Å; Y72-Q75 VanDerWaalsContact O-N 3.15Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 2.65Å; Q75-A78 WeakPolarHBondContact O-CB 3.32Å; Q75-A78 PolarHBondContact O-N 3.44Å; Q75-L79 PolarHBondContact O-N 2.9Å; Q75-V183 HydrophobicContact CG-CG1 3.92Å; Q75-L201 HydrophobicContact CB-CD2 3.83Å; Q75-L201 HydrophobicContact CG-CD2 4.02Å
76	L	92	Very high	89	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-40.7	174.5	-69.8	179.3	0	0	0	112.4	Y72 I73 A78 L79 V80 I112 F113 P205	Y72-L76 HydrophobicContact CD1-CD1 4.07Å; Y72-L76 HydrophobicContact CD2-CG 4.42Å; Y72-L76 HydrophobicContact CE1-CD1 3.48Å; Y72-L76 VanDerWaalsContact CE1-CD1 3.48Å; Y72-L76 HydrophobicContact CE1-CG 4.15Å; Y72-L76 HydrophobicContact CE2-CD1 4.2Å; Y72-L76 HydrophobicContact CE2-CD2 4.1Å; Y72-L76 HydrophobicContact CE2-CG 3.95Å; Y72-L76 WeakPolarHBondContact O-CG 3.39Å; Y72-L76 PolarHBondContact O-N 2.84Å; I73-L76 PolarHBondContact O-N 3.44Å; L76-A78 PolarHBondContact O-N 3.4Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 3.18Å; L76-L79 VanDerWaalsContact O-N 3.09Å; L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 2.76Å; L76-I112 HydrophobicContact CD1-CG2 3.86Å; L76-I112 HydrophobicContact CD2-CG2 4.36Å; L76-F113 HydrophobicContact CB-CB 4.14Å; L76-F113 HydrophobicContact CB-CD2 3.81Å; L76-F113 HydrophobicContact CB-CG 4.46Å; L76-F113 HydrophobicContact CD1-CB 4.26Å; L76-P205 HydrophobicContact CD2-CG 4.07Å
77	E	91.9	Very high	88.9	Confident	51 Å²	51	36 Å²	36	24%	0.238	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-38.2	174.7	-171.7	176	-123.3	0	0	110.5	I73 N74 L79 V80 L81 F113 K184	I73-E77 WeakPolarHBondContact O-CB 3.29Å; I73-E77 PolarHBondContact O-N 3.02Å; N74-E77 PolarHBondContact O-N 2.94Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.47Å; E77-V80 PolarHBondContact O-N 2.81Å; E77-V80 VanDerWaalsContact O-N 3.16Å; E77-L81 HydrophobicContact CG-CD1 4.06Å; E77-L81 HydrophobicContact CG-CG 4.14Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.26Å; E77-L81 WeakPolarHBondContact O-CG 3.27Å; E77-L81 PolarHBondContact O-N 2.82Å; E77-F113 HydrophobicContact CB-CD2 4.46Å; E77-F113 HydrophobicContact CB-CE2 3.8Å; E77-F113 HydrophobicContact CB-CZ 4.46Å; E77-F113 HydrophobicContact CG-CE2 4.39Å; E77-K184 IonicContact OE2-NZ 3.75Å; E77-K184 PolarHBondContact OE2-NZ 3.47Å
78	A	89	Confident	88.8	Confident	3 Å²	3	36.8 Å²	36.8	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-29.7	177.9	0	0	0	0	0	113	N74 Q75 L76 P82 V181 V183 L201	N74-A78 WeakPolarHBondContact O-CB 3.46Å; N74-A78 PolarHBondContact O-N 3.18Å; Q75-A78 WeakPolarHBondContact O-CB 3.32Å; Q75-A78 PolarHBondContact O-N 3.44Å; L76-A78 PolarHBondContact O-N 3.4Å; A78-P82 WeakPolarHBondContact O-CD 3.28Å; A78-P82 WeakPolarHBondContact O-CG 3.24Å; A78-V181 HydrophobicContact CB-CG1 3.67Å; A78-V181 WeakPolarHBondContact O-CG1 3.37Å; A78-V183 HydrophobicContact CB-CG2 3.91Å; A78-L201 HydrophobicContact CB-CD1 4.29Å
79	L	89.8	Confident	88.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-77.1	-38.1	170.3	-70.9	173.2	0	0	0	112.8	Q75 L76 E77 P82 F106 V109 M198 L201 L202	Q75-L79 PolarHBondContact O-N 2.9Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 3.18Å; L76-L79 VanDerWaalsContact O-N 3.09Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.47Å; L79-P82 WeakPolarHBondContact O-CD 3.33Å; L79-P82 WeakPolarHBondContact O-CG 3.43Å; L79-F106 HydrophobicContact CD2-CE1 4.4Å; L79-F106 WeakPolarHBondContact O-CE1 3.23Å; L79-V109 HydrophobicContact CB-CG1 3.85Å; L79-V109 HydrophobicContact CD1-CG1 3.99Å; L79-M198 HydrophobicContact CD2-CG 3.97Å; L79-L201 HydrophobicContact CD1-CB 3.96Å; L79-L201 HydrophobicContact CD2-CB 3.61Å; L79-L201 HydrophobicContact CD2-CD1 4.18Å; L79-L201 HydrophobicContact CG-CB 3.75Å; L79-L201 HydrophobicContact CG-CD1 4.33Å; L79-L202 HydrophobicContact CD1-CD2 4.23Å; L79-L202 HydrophobicContact CD2-CD2 4.42Å; L79-L202 HydrophobicContact CD2-CG 4.36Å
80	V	89.7	Confident	88.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-71	-35.9	-178.5	167.6	0	0	0	0	112.3	L76 E77 M83 R84 V109 F113	L76-V80 WeakPolarHBondContact O-CG2 3.34Å; L76-V80 PolarHBondContact O-N 2.76Å; E77-V80 PolarHBondContact O-N 2.81Å; E77-V80 VanDerWaalsContact O-N 3.16Å; V80-M83 HydrophobicContact CG1-CE 4.3Å; V80-M83 WeakPolarHBondContact O-CB 3.49Å; V80-M83 PolarHBondContact O-N 2.74Å; V80-R84 PolarHBondContact O-N 2.94Å; V80-V109 HydrophobicContact CG2-CG1 4.21Å; V80-F113 HydrophobicContact CG2-CB 4.23Å; V80-F113 HydrophobicContact CG2-CG 4.35Å
81	L	87.2	Confident	87.9	Confident	84 Å²	84	41.4 Å²	41.4	44%	0.44	23%	0.229	S	C	.	.	H	α-helix	trans	-55.5	-51.5	-178.9	-82.9	167	0	0	0	114	E77 P85	E77-L81 HydrophobicContact CG-CD1 4.06Å; E77-L81 HydrophobicContact CG-CG 4.14Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.26Å; E77-L81 WeakPolarHBondContact O-CG 3.27Å; E77-L81 PolarHBondContact O-N 2.82Å; L81-P85 WeakPolarHBondContact O-CD 3.49Å
82	P	84.8	Confident	87.7	Confident	23 Å²	23	40.6 Å²	40.6	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-73.3	-27	176	28	-34.6	0	0	0	112.9	A78 L79 R84 P85 L86 I177	A78-P82 WeakPolarHBondContact O-CD 3.28Å; A78-P82 WeakPolarHBondContact O-CG 3.24Å; L79-P82 WeakPolarHBondContact O-CD 3.33Å; L79-P82 WeakPolarHBondContact O-CG 3.43Å; P82-R84 VanDerWaalsContact C-N 3.35Å; P82-R84 PolarHBondContact O-N 3.25Å; P82-P85 VanDerWaalsContact O-CD 3.23Å; P82-P85 WeakPolarHBondContact O-CD 3.25Å; P82-P85 WeakPolarHBondContact O-CG 3.26Å; P82-L86 HydrophobicContact CB-CD1 4.48Å; P82-L86 WeakPolarHBondContact O-CB 3.47Å; P82-L86 WeakPolarHBondContact O-CD1 3.45Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 2.85Å; P82-I177 HydrophobicContact CB-CG2 3.71Å; P82-I177 HydrophobicContact CG-CG2 4.43Å
83	M	87.3	Confident	86.9	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-42.9	179.4	-177.5	-165.4	58.9	0	0	112.1	V80 L86 K87 I102 F106 Q110	V80-M83 HydrophobicContact CG1-CE 4.3Å; V80-M83 WeakPolarHBondContact O-CB 3.49Å; V80-M83 PolarHBondContact O-N 2.74Å; M83-L86 PolarHBondContact O-N 3.33Å; M83-K87 HydrophobicContact CG-CD 4.32Å; M83-K87 HydrophobicContact CG-CG 4.44Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.07Å; M83-I102 HydrophobicContact CG-CG2 4.14Å; M83-F106 HydrophobicContact CB-CD1 4.1Å; M83-F106 HydrophobicContact CB-CD2 4.2Å; M83-F106 HydrophobicContact CB-CE1 4.31Å; M83-F106 HydrophobicContact CB-CE2 4.41Å; M83-F106 HydrophobicContact CB-CG 4.04Å; M83-F106 HydrophobicContact CB-CZ 4.46Å; M83-F106 HydrophobicContact CG-CB 3.95Å; M83-F106 HydrophobicContact CG-CD1 4.36Å; M83-F106 HydrophobicContact CG-CD2 3.93Å; M83-F106 HydrophobicContact CG-CG 3.82Å; M83-F106 HydrophobicContact SD-CB 3.61Å; M83-F106 HydrophobicContact SD-CG 4.11Å; M83-Q110 HydrophobicContact CE-CB 4.21Å
84	R	85.6	Confident	86.1	Confident	144 Å²	144	53.7 Å²	53.7	54%	0.543	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-53.4	-177.5	-66.4	178.4	-175.6	171.8	2	113.9	V80 P82 L86 K87 A88	V80-R84 PolarHBondContact O-N 2.94Å; P82-R84 VanDerWaalsContact C-N 3.35Å; P82-R84 PolarHBondContact O-N 3.25Å; R84-L86 VanDerWaalsContact C-N 3.33Å; R84-K87 PolarHBondContact O-N 2.78Å; R84-A88 PolarHBondContact O-N 2.86Å; R84-A88 VanDerWaalsContact O-N 3.14Å
85	P	85.3	Confident	85.7	Confident	78 Å²	78	55.4 Å²	55.4	51%	0.506	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-31.9	176	25.6	-33.1	0	0	0	112.5	L81 P82 A88 A89	L81-P85 WeakPolarHBondContact O-CD 3.49Å; P82-P85 VanDerWaalsContact O-CD 3.23Å; P82-P85 WeakPolarHBondContact O-CD 3.25Å; P82-P85 WeakPolarHBondContact O-CG 3.26Å; P85-A88 PolarHBondContact O-N 2.88Å; P85-A89 VanDerWaalsContact O-CB 3.3Å; P85-A89 WeakPolarHBondContact O-CB 3.46Å; P85-A89 PolarHBondContact O-N 3.09Å
86	L	86.9	Confident	85.5	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-43.2	173.8	-73	169.3	0	0	0	111.5	P82 M83 R84 A88 A89 A90 V96 L97 I102 F106 F174 I177	P82-L86 HydrophobicContact CB-CD1 4.48Å; P82-L86 WeakPolarHBondContact O-CB 3.47Å; P82-L86 WeakPolarHBondContact O-CD1 3.45Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 2.85Å; M83-L86 PolarHBondContact O-N 3.33Å; R84-L86 VanDerWaalsContact C-N 3.33Å; L86-A88 PolarHBondContact O-N 3.49Å; L86-A89 PolarHBondContact O-N 3.47Å; L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 2.97Å; L86-V96 HydrophobicContact CD2-CB 4.1Å; L86-V96 HydrophobicContact CD2-CG1 4.04Å; L86-L97 HydrophobicContact CD1-CD1 4.28Å; L86-L97 HydrophobicContact CD2-CD1 4.49Å; L86-I102 HydrophobicContact CB-CD1 4Å; L86-I102 HydrophobicContact CB-CG1 4.37Å; L86-I102 WeakPolarHBondContact O-CD1 3.41Å; L86-F106 HydrophobicContact CD1-CE2 4.26Å; L86-F106 HydrophobicContact CD1-CZ 4.49Å; L86-F174 HydrophobicContact CD1-CD2 4.33Å; L86-F174 HydrophobicContact CD1-CE2 4.16Å; L86-I177 HydrophobicContact CD2-CD1 4.33Å
87	K	86.1	Confident	85.3	Confident	78 Å²	78	55.5 Å²	55.5	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-40.9	173.9	-74.5	-172.3	174.6	179.7	0	112.4	M83 R84 A90 M99 I102	M83-K87 HydrophobicContact CG-CD 4.32Å; M83-K87 HydrophobicContact CG-CG 4.44Å; M83-K87 WeakPolarHBondContact O-CG 3.47Å; M83-K87 PolarHBondContact O-N 3.07Å; R84-K87 PolarHBondContact O-N 2.78Å; K87-A90 PolarHBondContact O-N 3.49Å; K87-M99 HydrophobicContact CB-SD 4.35Å; K87-M99 HydrophobicContact CG-SD 4.36Å; K87-I102 HydrophobicContact CD-CG2 4.38Å; K87-I102 HydrophobicContact CG-CG2 3.65Å
88	A	83.9	Confident	85.3	Confident	68 Å²	68	56.3 Å²	56.3	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-68.8	-36.2	177.1	0	0	0	0	0	112.6	R84 P85 L86 A90 T91	R84-A88 PolarHBondContact O-N 2.86Å; R84-A88 VanDerWaalsContact O-N 3.14Å; P85-A88 PolarHBondContact O-N 2.88Å; L86-A88 PolarHBondContact O-N 3.49Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-T91 PolarHBondContact O-OG1 3.37Å; A88-T91 VanDerWaalsContact O-OG1 3.06Å
89	A	84.4	Confident	85.3	Confident	32 Å²	32	59.8 Å²	59.8	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-73.6	-22.8	177.6	0	0	0	0	0	113	P85 L86 T91 S92	P85-A89 VanDerWaalsContact O-CB 3.3Å; P85-A89 WeakPolarHBondContact O-CB 3.46Å; P85-A89 PolarHBondContact O-N 3.09Å; L86-A89 PolarHBondContact O-N 3.47Å; A89-T91 PolarHBondContact O-N 2.86Å; A89-S92 VanDerWaalsContact O-CB 3.23Å; A89-S92 WeakPolarHBondContact O-CB 3.31Å; A89-S92 PolarHBondContact O-N 2.9Å; A89-S92 PolarHBondContact O-OG 3.41Å
90	A	84.7	Confident	85.3	Confident	17 Å²	17	66.8 Å²	66.8	14%	0.14	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.2	179.9	0	0	0	0	0	113.7	L86 K87 A88 M99 I102	L86-A90 WeakPolarHBondContact O-CB 3.24Å; L86-A90 PolarHBondContact O-N 2.97Å; K87-A90 PolarHBondContact O-N 3.49Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A90-M99 HydrophobicContact CB-CG 3.66Å; A90-M99 HydrophobicContact CB-SD 3.47Å; A90-M99 WeakPolarHBondContact CB-SD 3.22Å; A90-I102 HydrophobicContact CB-CD1 3.89Å
91	T	82.2	Confident	85.4	Confident	121 Å²	121	69.8 Å²	69.8	74%	0.742	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.5	173.5	58.2	0	0	0	0	113.7	A88 A89	A88-T91 PolarHBondContact O-OG1 3.37Å; A88-T91 VanDerWaalsContact O-OG1 3.06Å; A89-T91 PolarHBondContact O-N 2.86Å
92	S	83.5	Confident	85.6	Confident	57 Å²	57	65.8 Å²	65.8	40%	0.399	37%	0.371	S	S	.	.	S	Bend	trans	-81.9	168.2	177.5	78.6	0	0	0	0	112.2	A89 Q94	A89-S92 VanDerWaalsContact O-CB 3.23Å; A89-S92 WeakPolarHBondContact O-CB 3.31Å; A89-S92 PolarHBondContact O-N 2.9Å; A89-S92 PolarHBondContact O-OG 3.41Å; S92-Q94 PolarHBondContact O-N 3.48Å; S92-Q94 PolarHBondContact OG-N 3.03Å; S92-Q94 PolarHBondContact OG-O 3.41Å
93	S	76.2	Confident	85.9	Confident	127 Å²	127	69.8 Å²	69.8	89%	0.888	39%	0.387	S	S	*	.	S	Bend	trans	-68.5	-14.4	176.2	50.3	0	0	0	0	114.1
94	Q	76.4	Confident	86.2	Confident	170 Å²	170	71 Å²	71	79%	0.794	40%	0.395	S	S	*	.	S	Bend	trans	-137.6	80	174.8	-69.1	-162.3	-11.2	0	0	110.4	S92	S92-Q94 PolarHBondContact O-N 3.48Å; S92-Q94 PolarHBondContact OG-N 3.03Å; S92-Q94 PolarHBondContact OG-O 3.41Å
95	P	82.8	Confident	86.6	Confident	59 Å²	59	64.1 Å²	64.1	38%	0.383	37%	0.369	S	S	.	.			trans	-72.4	136.1	-178	30.8	-35.2	0	0	0	111.3	L97	P95-L97 VanDerWaalsContact C-N 3.34Å
96	V	85.2	Confident	87	Confident	28 Å²	28	60.7 Å²	60.7	17%	0.17	35%	0.346	C	S	.	.	S	Bend	trans	-67.4	-39.8	174.4	179.9	0	0	0	0	110.7	L86 N171 Q173 F174	L86-V96 HydrophobicContact CD2-CB 4.1Å; L86-V96 HydrophobicContact CD2-CG1 4.04Å; V96-N171 PolarHBondContact O-ND2 3.12Å; V96-N171 VanDerWaalsContact O-ND2 3.08Å; V96-Q173 HydrophobicContact CG1-CB 4.3Å; V96-F174 HydrophobicContact CG1-CB 4.02Å
97	L	88.8	Confident	87.4	Confident	6 Å²	6	65 Å²	65	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-137.3	151.1	172.4	-64.3	-179.9	0	0	0	109.2	L86 P95 Q101 I102 I105 C167 F174	L86-L97 HydrophobicContact CD1-CD1 4.28Å; L86-L97 HydrophobicContact CD2-CD1 4.49Å; P95-L97 VanDerWaalsContact C-N 3.34Å; L97-Q101 HydrophobicContact CB-CB 4.42Å; L97-I102 HydrophobicContact CB-CD1 3.99Å; L97-I102 HydrophobicContact CB-CG1 3.67Å; L97-I102 HydrophobicContact CD1-CG1 3.88Å; L97-I102 HydrophobicContact CG-CG1 4.45Å; L97-I105 HydrophobicContact CD1-CD1 4.14Å; L97-C167 HydrophobicContact CD2-CB 3.53Å; L97-F174 HydrophobicContact CD1-CD2 3.6Å; L97-F174 HydrophobicContact CD1-CE2 3.5Å; L97-F174 VanDerWaalsContact CD1-CE2 3.5Å; L97-F174 HydrophobicContact CD1-CG 4.23Å; L97-F174 HydrophobicContact CD1-CZ 4.03Å; L97-F174 HydrophobicContact CD2-CB 4.46Å; L97-F174 HydrophobicContact CD2-CD1 4.25Å; L97-F174 HydrophobicContact CD2-CD2 4.23Å; L97-F174 HydrophobicContact CD2-CG 4.03Å; L97-F174 HydrophobicContact CG-CD2 4.03Å; L97-F174 HydrophobicContact CG-CE2 4.4Å; L97-F174 HydrophobicContact CG-CG 4.3Å
98	T	90.7	Very high	87.8	Confident	67 Å²	67	64 Å²	64	41%	0.411	36%	0.359	S	S	.	.			trans	-72.9	155.7	170.2	67.8	0	0	0	0	110.9	Q100 Q101 I102	T98-Q100 PolarHBondContact O-N 3.07Å; T98-Q101 PolarHBondContact O-N 3.25Å; T98-Q101 VanDerWaalsContact O-N 3.13Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.19Å; T98-Q101 PolarHBondContact OG1-N 2.78Å; T98-Q101 PolarHBondContact OG1-OE1 3.3Å; T98-I102 WeakPolarHBondContact O-CG1 3.34Å; T98-I102 PolarHBondContact O-N 2.88Å
99	M	89.4	Confident	88.3	Confident	77 Å²	77	60.8 Å²	60.8	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-56.7	-38.7	176.4	-76.7	-63	-90.2	0	0	112.3	K87 A90 Q101 I102 E103	K87-M99 HydrophobicContact CB-SD 4.35Å; K87-M99 HydrophobicContact CG-SD 4.36Å; A90-M99 HydrophobicContact CB-CG 3.66Å; A90-M99 HydrophobicContact CB-SD 3.47Å; A90-M99 WeakPolarHBondContact CB-SD 3.22Å; M99-Q101 PolarHBondContact O-N 2.87Å; M99-I102 PolarHBondContact O-N 3.5Å; M99-I102 HydrophobicContact SD-CD1 4.46Å; M99-E103 WeakPolarHBondContact O-CB 3.27Å; M99-E103 WeakPolarHBondContact O-CG 3.27Å; M99-E103 PolarHBondContact O-N 3.29Å
100	Q	90.5	Very high	88.8	Confident	147 Å²	147	61.2 Å²	61.2	69%	0.687	33%	0.328	S	S	*	.	H	α-helix	trans	-64	-41.6	177.5	-173	179.9	6.3	0	0	112.2	T98 I102 E103 T104	T98-Q100 PolarHBondContact O-N 3.07Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; Q100-E103 PolarHBondContact O-N 2.92Å; Q100-T104 WeakPolarHBondContact O-CB 3.38Å; Q100-T104 PolarHBondContact O-N 2.84Å; Q100-T104 PolarHBondContact O-OG1 2.94Å
101	Q	91.6	Very high	89.3	Confident	65 Å²	65	63.4 Å²	63.4	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-41.9	176.1	-74.7	165.2	-38.3	0	0	111.1	L97 T98 M99 T104 I105 T163 C167	L97-Q101 HydrophobicContact CB-CB 4.42Å; T98-Q101 PolarHBondContact O-N 3.25Å; T98-Q101 VanDerWaalsContact O-N 3.13Å; T98-Q101 VanDerWaalsContact OG1-CG 3.26Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.19Å; T98-Q101 PolarHBondContact OG1-N 2.78Å; T98-Q101 PolarHBondContact OG1-OE1 3.3Å; M99-Q101 PolarHBondContact O-N 2.87Å; Q101-T104 PolarHBondContact O-N 2.92Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.3Å; Q101-I105 PolarHBondContact O-N 3.46Å; Q101-T163 HydrophobicContact CB-CG2 4.22Å; Q101-T163 HydrophobicContact CG-CG2 4.08Å; Q101-C167 PolarHBondContact NE2-SG 3.36Å; Q101-C167 VanDerWaalsContact NE2-SG 3.41Å
102	I	91.3	Very high	89.9	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-43	177.8	-62.4	161.6	0	0	0	111	M83 L86 K87 A90 L97 T98 M99 Q100 T104 I105 F106	M83-I102 HydrophobicContact CG-CG2 4.14Å; L86-I102 HydrophobicContact CB-CD1 4Å; L86-I102 HydrophobicContact CB-CG1 4.37Å; L86-I102 WeakPolarHBondContact O-CD1 3.41Å; K87-I102 HydrophobicContact CD-CG2 4.38Å; K87-I102 HydrophobicContact CG-CG2 3.65Å; A90-I102 HydrophobicContact CB-CD1 3.89Å; L97-I102 HydrophobicContact CB-CD1 3.99Å; L97-I102 HydrophobicContact CB-CG1 3.67Å; L97-I102 HydrophobicContact CD1-CG1 3.88Å; L97-I102 HydrophobicContact CG-CG1 4.45Å; T98-I102 WeakPolarHBondContact O-CG1 3.34Å; T98-I102 PolarHBondContact O-N 2.88Å; M99-I102 PolarHBondContact O-N 3.5Å; M99-I102 HydrophobicContact SD-CD1 4.46Å; Q100-I102 VanDerWaalsContact C-N 3.34Å; I102-T104 PolarHBondContact O-N 2.97Å; I102-I105 PolarHBondContact O-N 3.38Å; I102-F106 HydrophobicContact CG2-CD2 3.95Å; I102-F106 WeakPolarHBondContact O-CD2 3.48Å; I102-F106 PolarHBondContact O-N 2.82Å
103	E	92	Very high	90.5	Very high	107 Å²	107	55.5 Å²	55.5	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-31.1	176.5	-75.5	176.1	175.9	0	0	112.5	M99 Q100 Y107	M99-E103 WeakPolarHBondContact O-CB 3.27Å; M99-E103 WeakPolarHBondContact O-CG 3.27Å; M99-E103 PolarHBondContact O-N 3.29Å; Q100-E103 PolarHBondContact O-N 2.92Å; E103-Y107 WeakPolarHBondContact O-CA 3.3Å; E103-Y107 VanDerWaalsContact O-CB 3.27Å; E103-Y107 WeakPolarHBondContact O-CB 3.28Å; E103-Y107 PolarHBondContact O-N 2.77Å
104	T	93.3	Very high	91.4	Very high	32 Å²	32	54 Å²	54	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-76	-46.8	175.8	-52.8	0	0	0	0	111.4	Q100 Q101 I102 N156 N159 A160	Q100-T104 WeakPolarHBondContact O-CB 3.38Å; Q100-T104 PolarHBondContact O-N 2.84Å; Q100-T104 PolarHBondContact O-OG1 2.94Å; Q101-T104 PolarHBondContact O-N 2.92Å; I102-T104 PolarHBondContact O-N 2.97Å; T104-N156 PolarHBondContact O-ND2 3.4Å; T104-N159 HydrophobicContact CG2-CB 4.24Å; T104-A160 WeakPolarHBondContact O-CB 3.35Å
105	I	93.4	Very high	92.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-44	-176.8	-66.6	165.9	0	0	0	111.3	L97 Q101 I102 T163 A164 F174 M198 L202	L97-I105 HydrophobicContact CD1-CD1 4.14Å; Q101-I105 VanDerWaalsContact O-CG1 3.25Å; Q101-I105 WeakPolarHBondContact O-CG1 3.3Å; Q101-I105 PolarHBondContact O-N 3.46Å; I102-I105 PolarHBondContact O-N 3.38Å; I105-T163 HydrophobicContact CD1-CG2 4.12Å; I105-T163 HydrophobicContact CG1-CG2 3.92Å; I105-A164 HydrophobicContact CD1-CB 4.25Å; I105-A164 HydrophobicContact CG1-CB 4.18Å; I105-A164 HydrophobicContact CG2-CB 4.3Å; I105-F174 HydrophobicContact CD1-CE1 4.37Å; I105-F174 HydrophobicContact CD1-CZ 3.94Å; I105-M198 HydrophobicContact CG2-SD 4.18Å; I105-L202 HydrophobicContact CG2-CD1 4.36Å
106	F	94.1	Very high	92.9	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	21.6	-174.4	-59.5	-82.4	0	0	0	113.1	L79 M83 L86 I102 K108 V109 M198	L79-F106 HydrophobicContact CD2-CE1 4.4Å; L79-F106 WeakPolarHBondContact O-CE1 3.23Å; M83-F106 HydrophobicContact CB-CD1 4.1Å; M83-F106 HydrophobicContact CB-CD2 4.2Å; M83-F106 HydrophobicContact CB-CE1 4.31Å; M83-F106 HydrophobicContact CB-CE2 4.41Å; M83-F106 HydrophobicContact CB-CG 4.04Å; M83-F106 HydrophobicContact CB-CZ 4.46Å; M83-F106 HydrophobicContact CG-CB 3.95Å; M83-F106 HydrophobicContact CG-CD1 4.36Å; M83-F106 HydrophobicContact CG-CD2 3.93Å; M83-F106 HydrophobicContact CG-CG 3.82Å; M83-F106 HydrophobicContact SD-CB 3.61Å; M83-F106 HydrophobicContact SD-CG 4.11Å; L86-F106 HydrophobicContact CD1-CE2 4.26Å; L86-F106 HydrophobicContact CD1-CZ 4.49Å; I102-F106 HydrophobicContact CG2-CD2 3.95Å; I102-F106 WeakPolarHBondContact O-CD2 3.48Å; I102-F106 PolarHBondContact O-N 2.82Å; F106-K108 PolarHBondContact O-N 2.97Å; F106-V109 HydrophobicContact CB-CG2 4.48Å; F106-V109 PolarHBondContact O-N 3.49Å; F106-M198 HydrophobicContact CE1-CE 4.33Å; F106-M198 HydrophobicContact CE1-SD 4.12Å; F106-M198 HydrophobicContact CZ-CE 3.91Å; F106-M198 HydrophobicContact CZ-SD 3.75Å
107	Y	94.8	Very high	93.3	Very high	98 Å²	98	47.5 Å²	47.5	38%	0.384	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126	-178.3	-169.6	-116.4	0	0	0	110.4	E103 V109 A152 F153 N156	E103-Y107 WeakPolarHBondContact O-CA 3.3Å; E103-Y107 VanDerWaalsContact O-CB 3.27Å; E103-Y107 WeakPolarHBondContact O-CB 3.28Å; E103-Y107 PolarHBondContact O-N 2.77Å; Y107-V109 PolarHBondContact O-N 3.36Å; Y107-A152 WeakPolarHBondContact CD1-O 3.31Å; Y107-A152 HydrophobicContact CE1-CB 3.93Å; Y107-A152 VanDerWaalsContact CE1-O 3.24Å; Y107-A152 WeakPolarHBondContact CE1-O 3.14Å; Y107-F153 WeakPolarHBondContact O-CD2 3.11Å; Y107-N156 WeakPolarHBondContact CB-ND2 3.23Å; Y107-N156 HydrophobicContact CD1-CB 3.65Å; Y107-N156 HydrophobicContact CE1-CB 4.3Å; Y107-N156 HydrophobicContact CG-CB 4.3Å
108	K	95.3	Very high	93.6	Very high	59 Å²	59	52.4 Å²	52.4	26%	0.257	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	1	179.5	-61.7	-54.6	-168.5	176.5	0	118.1	F106 Q110 D111 I112 V149 A152 F153	F106-K108 PolarHBondContact O-N 2.97Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; K108-Q110 PolarHBondContact O-N 3.42Å; K108-D111 WeakPolarHBondContact CA-OD2 3.47Å; K108-D111 HydrophobicContact CD-CB 4.39Å; K108-D111 WeakPolarHBondContact CD-OD2 3.34Å; K108-D111 IonicContact NZ-OD1 3.08Å; K108-D111 IonicContact NZ-OD2 3.98Å; K108-D111 PolarHBondContact O-N 3.15Å; K108-I112 VanDerWaalsContact O-CG1 3.31Å; K108-I112 WeakPolarHBondContact O-CG1 3.24Å; K108-I112 PolarHBondContact O-N 3.23Å; K108-V149 HydrophobicContact CB-CG1 4.08Å; K108-V149 HydrophobicContact CD-CG1 4.16Å; K108-V149 HydrophobicContact CG-CG1 4.32Å; K108-A152 HydrophobicContact CG-CB 4.09Å; K108-F153 HydrophobicContact CB-CB 4.16Å; K108-F153 HydrophobicContact CB-CD2 4.5Å
109	V	94.4	Very high	93.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.9	176.9	0	0	0	0	111.9	L79 V80 F106 Y107 I112 F113 F153 L202	L79-V109 HydrophobicContact CB-CG1 3.85Å; L79-V109 HydrophobicContact CD1-CG1 3.99Å; V80-V109 HydrophobicContact CG2-CG1 4.21Å; F106-V109 HydrophobicContact CB-CG2 4.48Å; F106-V109 PolarHBondContact O-N 3.49Å; Y107-V109 PolarHBondContact O-N 3.36Å; V109-I112 PolarHBondContact O-N 2.99Å; V109-F113 WeakPolarHBondContact O-CB 3.39Å; V109-F113 PolarHBondContact O-N 3.21Å; V109-F153 HydrophobicContact CG2-CD2 4.28Å; V109-F153 HydrophobicContact CG2-CE2 3.69Å; V109-L202 HydrophobicContact CG2-CD2 4.23Å
110	Q	93.8	Very high	94	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-43.1	178.2	-179.4	64.1	49.6	0	0	111.9	M83 K108 F113 E114	M83-Q110 HydrophobicContact CE-CB 4.21Å; K108-Q110 VanDerWaalsContact C-N 3.35Å; K108-Q110 PolarHBondContact O-N 3.42Å; Q110-F113 WeakPolarHBondContact O-CB 3.5Å; Q110-F113 PolarHBondContact O-N 3.4Å; Q110-E114 PolarHBondContact NE2-OE1 3.02Å; Q110-E114 WeakPolarHBondContact O-CG 3.48Å; Q110-E114 PolarHBondContact O-N 3.18Å
111	D	95.2	Very high	94.2	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-45.3	177.9	-55.4	-99.4	0	0	0	110.4	K108 F113 E114 I115 V149	K108-D111 WeakPolarHBondContact CA-OD2 3.47Å; K108-D111 HydrophobicContact CD-CB 4.39Å; K108-D111 WeakPolarHBondContact CD-OD2 3.34Å; K108-D111 IonicContact NZ-OD1 3.08Å; K108-D111 IonicContact NZ-OD2 3.98Å; K108-D111 PolarHBondContact O-N 3.15Å; D111-F113 VanDerWaalsContact C-N 3.35Å; D111-F113 PolarHBondContact O-N 3.47Å; D111-E114 PolarHBondContact O-N 3.46Å; D111-I115 WeakPolarHBondContact O-CD1 3.44Å; D111-I115 VanDerWaalsContact O-CG1 3.26Å; D111-I115 WeakPolarHBondContact O-CG1 3.3Å; D111-I115 PolarHBondContact O-N 3.5Å; D111-V149 HydrophobicContact CB-CG1 3.71Å
112	I	95.6	Very high	94.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-42	177.8	-67.3	169.9	0	0	0	111.2	Y72 L76 K108 V109 E114 I115 H116 V149 Y150 F153 P205	Y72-I112 WeakPolarHBondContact OH-CG2 3.22Å; L76-I112 HydrophobicContact CD1-CG2 3.86Å; L76-I112 HydrophobicContact CD2-CG2 4.36Å; K108-I112 VanDerWaalsContact O-CG1 3.31Å; K108-I112 WeakPolarHBondContact O-CG1 3.24Å; K108-I112 PolarHBondContact O-N 3.23Å; V109-I112 PolarHBondContact O-N 2.99Å; I112-E114 PolarHBondContact O-N 3.34Å; I112-I115 PolarHBondContact O-N 3.21Å; I112-H116 PolarHBondContact O-CD2 2.98Å; I112-H116 PolarHBondContact O-N 2.98Å; I112-H116 VanDerWaalsContact O-N 3.07Å; I112-V149 HydrophobicContact CG1-CG1 3.9Å; I112-Y150 HydrophobicContact CD1-CD1 4.44Å; I112-Y150 HydrophobicContact CD1-CE1 4.34Å; I112-Y150 HydrophobicContact CG1-CE2 4.32Å; I112-Y150 HydrophobicContact CG2-CE1 4.35Å; I112-Y150 HydrophobicContact CG2-CE2 4.22Å; I112-Y150 VanDerWaalsContact CG2-OH 3.26Å; I112-Y150 WeakPolarHBondContact CG2-OH 3.32Å; I112-F153 HydrophobicContact CD1-CB 3.78Å; I112-F153 HydrophobicContact CD1-CD1 4.48Å; I112-F153 HydrophobicContact CD1-CD2 3.91Å; I112-F153 HydrophobicContact CD1-CG 3.79Å; I112-P205 HydrophobicContact CD1-CB 4.21Å
113	F	95.8	Very high	94.2	Very high	12 Å²	12	43 Å²	43	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-45.6	174.5	170.8	-98.9	0	0	0	112.4	I73 L76 E77 V80 V109 Q110 D111 K117	I73-F113 HydrophobicContact CG2-CD2 4.31Å; I73-F113 HydrophobicContact CG2-CE2 3.73Å; L76-F113 HydrophobicContact CB-CB 4.14Å; L76-F113 HydrophobicContact CB-CD2 3.81Å; L76-F113 HydrophobicContact CB-CG 4.46Å; L76-F113 HydrophobicContact CD1-CB 4.26Å; E77-F113 HydrophobicContact CB-CD2 4.46Å; E77-F113 HydrophobicContact CB-CE2 3.8Å; E77-F113 HydrophobicContact CB-CZ 4.46Å; E77-F113 HydrophobicContact CG-CE2 4.39Å; V80-F113 HydrophobicContact CG2-CB 4.23Å; V80-F113 HydrophobicContact CG2-CG 4.35Å; V109-F113 WeakPolarHBondContact O-CB 3.39Å; V109-F113 PolarHBondContact O-N 3.21Å; Q110-F113 WeakPolarHBondContact O-CB 3.5Å; Q110-F113 PolarHBondContact O-N 3.4Å; D111-F113 VanDerWaalsContact C-N 3.35Å; D111-F113 PolarHBondContact O-N 3.47Å; F113-K117 HydrophobicContact CE1-CD 4.02Å; F113-K117 HydrophobicContact CZ-CD 3.86Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 PolarHBondContact O-N 3.13Å
114	E	95.3	Very high	94.2	Very high	97 Å²	97	39.9 Å²	39.9	45%	0.453	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-43	179.4	-72.9	172.6	-166.1	0	0	111.8	Q110 D111 I112 H116 K117 E118	Q110-E114 PolarHBondContact NE2-OE1 3.02Å; Q110-E114 WeakPolarHBondContact O-CG 3.48Å; Q110-E114 PolarHBondContact O-N 3.18Å; D111-E114 PolarHBondContact O-N 3.46Å; I112-E114 PolarHBondContact O-N 3.34Å; E114-H116 PolarHBondContact O-N 2.75Å; E114-K117 PolarHBondContact O-N 2.91Å; E114-E118 WeakPolarHBondContact O-CB 3.4Å; E114-E118 WeakPolarHBondContact O-CG 3.37Å; E114-E118 PolarHBondContact O-N 3.34Å
115	I	95.4	Very high	94	Very high	24 Å²	24	41.4 Å²	41.4	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-50.9	176.9	-69.8	159.8	0	0	0	111.2	D111 I112 F119 L143 Q146 V149	D111-I115 WeakPolarHBondContact O-CD1 3.44Å; D111-I115 VanDerWaalsContact O-CG1 3.26Å; D111-I115 WeakPolarHBondContact O-CG1 3.3Å; D111-I115 PolarHBondContact O-N 3.5Å; I112-I115 PolarHBondContact O-N 3.21Å; I115-F119 WeakPolarHBondContact O-CB 3.44Å; I115-F119 PolarHBondContact O-N 3.09Å; I115-L143 HydrophobicContact CG2-CD1 3.56Å; I115-Q146 HydrophobicContact CD1-CB 3.85Å; I115-Q146 HydrophobicContact CD1-CG 4.31Å; I115-Q146 HydrophobicContact CG1-CB 4.31Å; I115-Q146 HydrophobicContact CG1-CG 4.3Å; I115-Q146 HydrophobicContact CG2-CB 4.19Å; I115-Q146 HydrophobicContact CG2-CG 4.34Å; I115-V149 HydrophobicContact CD1-CB 4.09Å; I115-V149 HydrophobicContact CD1-CG1 4.18Å; I115-V149 HydrophobicContact CD1-CG2 4.02Å
116	H	95.4	Very high	93.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-71.3	-35.5	-177.7	-83.5	-89.9	0	0	0	112.4	E69 Y72 I73 I112 E114 F119 Y120 Y150	E69-H116 VanDerWaalsContact CD-ND1 3.27Å; E69-H116 IonicContact OE1-CE1 3.16Å; E69-H116 IonicContact OE1-CG 2.81Å; E69-H116 IonicContact OE1-ND1 3.47Å; E69-H116 PolarHBondContact OE1-ND1 2.83Å; E69-H116 IonicContact OE2-CE1 3.78Å; E69-H116 IonicContact OE2-ND1 2.9Å; E69-H116 PolarHBondContact OE2-ND1 2.95Å; Y72-H116 HydrophobicContact CD1-CB 4.41Å; Y72-H116 AromaticContact CD1-CG 3.95Å; Y72-H116 AromaticContact CD1-ND1 3.74Å; Y72-H116 HydrophobicContact CE1-CB 4.31Å; Y72-H116 AromaticContact CE1-CD2 3.84Å; Y72-H116 AromaticContact CE1-CE1 3.92Å; Y72-H116 AromaticContact CE1-CG 3.62Å; Y72-H116 AromaticContact CE1-ND1 3.66Å; I73-H116 HydrophobicContact CG1-CB 4.11Å; I112-H116 PolarHBondContact O-CD2 2.98Å; I112-H116 PolarHBondContact O-N 2.98Å; I112-H116 VanDerWaalsContact O-N 3.07Å; E114-H116 PolarHBondContact O-N 2.75Å; H116-F119 PolarHBondContact O-N 2.99Å; H116-Y120 WeakPolarHBondContact O-CB 3.48Å; H116-Y120 PolarHBondContact O-N 3.31Å; H116-Y150 PolarHBondContact CD2-OH 3.04Å; H116-Y150 AromaticContact NE2-CE2 3.83Å; H116-Y150 AromaticContact NE2-CZ 3.63Å; H116-Y150 PolarHBondContact NE2-OH 2.96Å
117	K	94.1	Very high	93.3	Very high	93 Å²	93	43.2 Å²	43.2	40%	0.404	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-45.8	174.3	-174.1	173.1	-178.9	176.2	0	112.1	F113 E114 F119 Y120 D121	F113-K117 HydrophobicContact CE1-CD 4.02Å; F113-K117 HydrophobicContact CZ-CD 3.86Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 PolarHBondContact O-N 3.13Å; E114-K117 PolarHBondContact O-N 2.91Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 2.92Å; K117-Y120 PolarHBondContact O-N 3.25Å; K117-D121 WeakPolarHBondContact O-CB 3.27Å; K117-D121 PolarHBondContact O-N 3.44Å
118	E	94.6	Very high	92.7	Very high	109 Å²	109	45.2 Å²	45.2	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-59.9	-41.8	173.8	-77.6	-173	-168.6	0	0	111.9	E114 A122 K142	E114-E118 WeakPolarHBondContact O-CB 3.4Å; E114-E118 WeakPolarHBondContact O-CG 3.37Å; E114-E118 PolarHBondContact O-N 3.34Å; E118-A122 WeakPolarHBondContact O-CB 3.22Å; E118-A122 PolarHBondContact O-N 2.91Å; E118-A122 VanDerWaalsContact O-N 3.09Å; E118-K142 IonicContact OE2-NZ 3.47Å; E118-K142 PolarHBondContact OE2-NZ 3.14Å
119	F	94.9	Very high	92.1	Very high	12 Å²	12	52.6 Å²	52.6	5%	0.053	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-46.6	178	178.6	-89.5	0	0	0	111.5	F65 E69 I115 H116 K117 A122 L123 L139 F140 L143	F65-F119 HydrophobicContact CD1-CE1 4.27Å; F65-F119 AromaticContact CE1-CE1 3.54Å; F65-F119 HydrophobicContact CE1-CE1 3.54Å; F65-F119 AromaticContact CE1-CZ 3.86Å; F65-F119 HydrophobicContact CE1-CZ 3.86Å; F65-F119 HydrophobicContact CZ-CE1 4.47Å; E69-F119 HydrophobicContact CG-CD1 4.4Å; E69-F119 WeakPolarHBondContact OE1-CD1 3.24Å; I115-F119 WeakPolarHBondContact O-CB 3.44Å; I115-F119 PolarHBondContact O-N 3.09Å; H116-F119 PolarHBondContact O-N 2.99Å; K117-F119 VanDerWaalsContact C-N 3.3Å; K117-F119 PolarHBondContact O-N 2.92Å; F119-A122 PolarHBondContact O-N 3.36Å; F119-L123 HydrophobicContact CE1-CB 4.39Å; F119-L123 HydrophobicContact CE1-CD2 3.63Å; F119-L123 HydrophobicContact CZ-CD2 3.98Å; F119-L123 VanDerWaalsContact O-CB 3.3Å; F119-L123 WeakPolarHBondContact O-CB 3.06Å; F119-L123 PolarHBondContact O-N 2.72Å; F119-L139 HydrophobicContact CD2-CB 4.05Å; F119-L139 HydrophobicContact CE2-CB 3.65Å; F119-L139 WeakPolarHBondContact CE2-O 3.49Å; F119-F140 HydrophobicContact CE2-CD1 4.44Å; F119-F140 HydrophobicContact CE2-CD2 4.4Å; F119-F140 HydrophobicContact CE2-CG 4.32Å; F119-F140 HydrophobicContact CZ-CD1 4.19Å; F119-F140 HydrophobicContact CZ-CD2 4.24Å; F119-F140 AromaticContact CZ-CE1 3.96Å; F119-F140 HydrophobicContact CZ-CE1 3.96Å; F119-F140 HydrophobicContact CZ-CE2 4Å; F119-F140 HydrophobicContact CZ-CG 4.33Å; F119-F140 AromaticContact CZ-CZ 3.86Å; F119-F140 HydrophobicContact CZ-CZ 3.86Å; F119-L143 HydrophobicContact CD2-CB 4.02Å; F119-L143 HydrophobicContact CD2-CD2 4.21Å; F119-L143 HydrophobicContact CE2-CB 4.24Å; F119-L143 HydrophobicContact CE2-CD2 4.19Å; F119-L143 HydrophobicContact CG-CD2 4.47Å; F119-L143 HydrophobicContact CZ-CD2 4.45Å
120	Y	94.1	Very high	91.5	Very high	16 Å²	16	55.2 Å²	55.2	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-48.3	176.4	178	-87.2	0	0	0	112.4	L66 E69 E70 I73 H116 K117 A122 L123 L124	L66-Y120 HydrophobicContact CD1-CD2 3.56Å; L66-Y120 HydrophobicContact CD1-CE2 3.67Å; L66-Y120 HydrophobicContact CD1-CG 4.34Å; L66-Y120 HydrophobicContact CG-CD2 4.17Å; L66-Y120 HydrophobicContact CG-CE2 3.8Å; E69-Y120 HydrophobicContact CB-CD2 4.15Å; E69-Y120 HydrophobicContact CG-CD2 3.97Å; E69-Y120 HydrophobicContact CG-CG 4.49Å; E70-Y120 HydrophobicContact CB-CD2 4.46Å; E70-Y120 HydrophobicContact CB-CE2 3.71Å; E70-Y120 HydrophobicContact CG-CE2 4.39Å; E70-Y120 PolarHBondContact OE2-OH 3.01Å; I73-Y120 HydrophobicContact CD1-CD1 4.48Å; I73-Y120 HydrophobicContact CD1-CD2 4.15Å; I73-Y120 HydrophobicContact CD1-CG 3.78Å; H116-Y120 WeakPolarHBondContact O-CB 3.48Å; H116-Y120 PolarHBondContact O-N 3.31Å; K117-Y120 PolarHBondContact O-N 3.25Å; Y120-A122 PolarHBondContact O-N 2.85Å; Y120-L123 PolarHBondContact O-N 3.2Å; Y120-L123 VanDerWaalsContact O-N 3.13Å; Y120-L124 HydrophobicContact CE1-CB 4.39Å; Y120-L124 HydrophobicContact CE1-CD2 3.93Å; Y120-L124 WeakPolarHBondContact O-CB 3.17Å; Y120-L124 PolarHBondContact O-N 3.41Å
121	D	93	Very high	90.8	Very high	91 Å²	91	57.6 Å²	57.6	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-29.7	-179.5	-73.5	-21.9	0	0	0	111.7	K117 P125	K117-D121 WeakPolarHBondContact O-CB 3.27Å; K117-D121 PolarHBondContact O-N 3.44Å; D121-P125 WeakPolarHBondContact O-CD 3.36Å
122	A	92.7	Very high	89.6	Confident	42 Å²	42	59.6 Å²	59.6	35%	0.347	29%	0.289	S	S	.	.	H	α-helix	trans	-81.2	-33.8	174.2	0	0	0	0	0	113.6	E118 F119 Y120 S126 L139	E118-A122 WeakPolarHBondContact O-CB 3.22Å; E118-A122 PolarHBondContact O-N 2.91Å; E118-A122 VanDerWaalsContact O-N 3.09Å; F119-A122 PolarHBondContact O-N 3.36Å; Y120-A122 PolarHBondContact O-N 2.85Å; A122-S126 PolarHBondContact O-OG 3.39Å; A122-L139 HydrophobicContact CB-CD1 4.22Å; A122-L139 HydrophobicContact CB-CD2 3.74Å
123	L	91.7	Very high	88.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-79.7	-37.4	-177.9	-175.9	62.4	0	0	0	112.5	F65 L66 F119 Y120 S126 I127 V136 L139	F65-L123 HydrophobicContact CD1-CD2 4.25Å; L66-L123 HydrophobicContact CD1-CB 4.06Å; L66-L123 HydrophobicContact CD1-CD2 3.85Å; L66-L123 HydrophobicContact CD1-CG 3.93Å; F119-L123 HydrophobicContact CE1-CB 4.39Å; F119-L123 HydrophobicContact CE1-CD2 3.63Å; F119-L123 HydrophobicContact CZ-CD2 3.98Å; F119-L123 VanDerWaalsContact O-CB 3.3Å; F119-L123 WeakPolarHBondContact O-CB 3.06Å; F119-L123 PolarHBondContact O-N 2.72Å; Y120-L123 PolarHBondContact O-N 3.2Å; Y120-L123 VanDerWaalsContact O-N 3.13Å; L123-S126 WeakPolarHBondContact O-CB 3.48Å; L123-S126 PolarHBondContact O-N 3.47Å; L123-S126 VanDerWaalsContact O-N 3.09Å; L123-I127 HydrophobicContact CD1-CD1 4.02Å; L123-I127 HydrophobicContact CD1-CG1 4.31Å; L123-I127 HydrophobicContact CD2-CD1 4.01Å; L123-I127 HydrophobicContact CG-CD1 3.67Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 PolarHBondContact O-N 3Å; L123-V136 HydrophobicContact CD1-CB 4.08Å; L123-V136 HydrophobicContact CD1-CG1 3.76Å; L123-L139 HydrophobicContact CB-CD1 4.13Å; L123-L139 HydrophobicContact CD1-CD1 4.06Å
124	L	91.3	Very high	87.8	Confident	41 Å²	41	68.3 Å²	68.3	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-54.4	-48.5	-175.8	174.2	69.1	0	0	0	113.6	L66 Y120 S126 I127 Q128	L66-L124 HydrophobicContact CD1-CB 4.32Å; L66-L124 HydrophobicContact CD2-CB 4.44Å; L66-L124 HydrophobicContact CD2-CD1 3.66Å; Y120-L124 HydrophobicContact CE1-CB 4.39Å; Y120-L124 HydrophobicContact CE1-CD2 3.93Å; Y120-L124 WeakPolarHBondContact O-CB 3.17Å; Y120-L124 PolarHBondContact O-N 3.41Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 3.07Å; L124-I127 PolarHBondContact O-N 3.47Å; L124-Q128 HydrophobicContact CD1-CG 4.11Å; L124-Q128 WeakPolarHBondContact O-CG 3.09Å; L124-Q128 PolarHBondContact O-N 3.38Å
125	P	89.4	Confident	87.4	Confident	64 Å²	64	66.3 Å²	66.3	42%	0.416	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-33.7	178.4	-22.2	33.9	0	0	0	113.1	D121 I127 Q128 R129	D121-P125 WeakPolarHBondContact O-CD 3.36Å; P125-I127 VanDerWaalsContact C-N 3.34Å; P125-Q128 PolarHBondContact O-N 2.94Å; P125-R129 PolarHBondContact O-N 3.24Å
126	S	86.4	Confident	87.2	Confident	30 Å²	30	65.2 Å²	65.2	21%	0.21	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-33.1	-179.3	-56.1	0	0	0	0	112	A122 L123 L124	A122-S126 PolarHBondContact O-OG 3.39Å; L123-S126 WeakPolarHBondContact O-CB 3.48Å; L123-S126 PolarHBondContact O-N 3.47Å; L123-S126 VanDerWaalsContact O-N 3.09Å; L124-S126 VanDerWaalsContact C-N 3.27Å; L124-S126 PolarHBondContact O-N 3.07Å
127	I	85.9	Confident	87	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.077	32%	0.317	C	S	.	.	H	α-helix	trans	-81.9	-37	176.7	-65.5	171.1	0	0	0	111.3	L62 S63 L66 L123 L124 P125	L62-I127 HydrophobicContact CB-CD1 3.91Å; L62-I127 HydrophobicContact CB-CG1 4.28Å; L62-I127 WeakPolarHBondContact O-CD1 3.38Å; S63-I127 WeakPolarHBondContact OG-CG2 3.18Å; L66-I127 HydrophobicContact CB-CD1 3.72Å; L66-I127 HydrophobicContact CD1-CD1 4.2Å; L66-I127 HydrophobicContact CD2-CB 4.35Å; L66-I127 HydrophobicContact CD2-CD1 3.78Å; L66-I127 HydrophobicContact CD2-CG2 4.4Å; L66-I127 HydrophobicContact CG-CD1 4.1Å; L123-I127 HydrophobicContact CD1-CD1 4.02Å; L123-I127 HydrophobicContact CD1-CG1 4.31Å; L123-I127 HydrophobicContact CD2-CD1 4.01Å; L123-I127 HydrophobicContact CG-CD1 3.67Å; L123-I127 HydrophobicContact CG-CG1 4.34Å; L123-I127 PolarHBondContact O-N 3Å; L124-I127 PolarHBondContact O-N 3.47Å; P125-I127 VanDerWaalsContact C-N 3.34Å
128	Q	83.1	Confident	86.9	Confident	140 Å²	140	65 Å²	65	65%	0.654	32%	0.317	S	S	*	.	H	α-helix	trans	-67.1	-33.7	177.2	-74	-179	-14.1	0	0	112.9	L124 P125	L124-Q128 HydrophobicContact CD1-CG 4.11Å; L124-Q128 WeakPolarHBondContact O-CG 3.09Å; L124-Q128 PolarHBondContact O-N 3.38Å; P125-Q128 PolarHBondContact O-N 2.94Å
129	R	82	Confident	86.9	Confident	214 Å²	214	60.6 Å²	60.6	81%	0.808	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	58	177.4	-61.8	-178	-173.7	165.7	2.9	111.1	P125	P125-R129 PolarHBondContact O-N 3.24Å
130	W	82	Confident	86.8	Confident	55 Å²	55	60.2 Å²	60.2	21%	0.208	30%	0.296	C	S	.	.			trans	-69	133.8	-175.4	-171.9	-93.1	0	0	0	113.4	K58 K59 L62 V134	K58-W130 HydrophobicContact CD-CH2 4.38Å; K58-W130 HydrophobicContact CG-CH2 4.39Å; K59-W130 HydrophobicContact CB-CD2 4.01Å; K59-W130 HydrophobicContact CB-CE3 4.49Å; K59-W130 HydrophobicContact CB-CH2 4.24Å; K59-W130 HydrophobicContact CB-CZ2 3.72Å; K59-W130 HydrophobicContact CD-CB 4.14Å; K59-W130 HydrophobicContact CD-CD2 3.91Å; K59-W130 HydrophobicContact CD-CG 3.6Å; K59-W130 HydrophobicContact CG-CD2 3.66Å; K59-W130 HydrophobicContact CG-CE3 4.05Å; K59-W130 HydrophobicContact CG-CG 3.92Å; K59-W130 HydrophobicContact CG-CZ2 4.3Å; L62-W130 HydrophobicContact CD1-CH2 3.48Å; L62-W130 VanDerWaalsContact CD1-CH2 3.48Å; L62-W130 HydrophobicContact CD1-CZ3 3.47Å; L62-W130 VanDerWaalsContact CD1-CZ3 3.47Å; W130-V134 HydrophobicContact CE3-CG1 4.48Å; W130-V134 HydrophobicContact CZ3-CG1 4.35Å
131	D	78.6	Confident	86.7	Confident	91 Å²	91	62.6 Å²	62.6	49%	0.487	31%	0.307	S	S	.	.			trans	-140.1	156.5	170	178.6	26.5	0	0	0	109	K133 V134	D131-K133 PolarHBondContact O-N 3.04Å; D131-V134 HydrophobicContact CB-CG2 4Å; D131-V134 VanDerWaalsContact N-CG2 3.35Å; D131-V134 WeakPolarHBondContact O-CB 3.34Å; D131-V134 WeakPolarHBondContact O-CG2 3.36Å; D131-V134 PolarHBondContact O-N 2.92Å
132	E	70	Confident	86.7	Confident	104 Å²	104	63.6 Å²	63.6	49%	0.486	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.4	-178.8	-69.3	179.9	-178.9	0	0	113.7	L55	L55-E132 HydrophobicContact CD1-CB 3.98Å; L55-E132 HydrophobicContact CD1-CG 4.1Å
133	K	73.1	Confident	86.6	Confident	169 Å²	169	62.4 Å²	62.4	74%	0.735	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	3.4	178.8	-62.1	-179.7	-177.5	175.8	0	113.7	D131 T135	D131-K133 PolarHBondContact O-N 3.04Å; K133-T135 PolarHBondContact O-N 2.76Å
134	V	81.6	Confident	86.5	Confident	26 Å²	26	62.7 Å²	62.7	16%	0.158	30%	0.297	C	S	.	.			trans	-65.8	126.8	-179.9	172.1	0	0	0	0	109.8	W130 D131 V136	W130-V134 HydrophobicContact CE3-CG1 4.48Å; W130-V134 HydrophobicContact CZ3-CG1 4.35Å; D131-V134 HydrophobicContact CB-CG2 4Å; D131-V134 VanDerWaalsContact N-CG2 3.35Å; D131-V134 WeakPolarHBondContact O-CB 3.34Å; D131-V134 WeakPolarHBondContact O-CG2 3.36Å; D131-V134 PolarHBondContact O-N 2.92Å; V134-V136 HydrophobicContact CG1-CG1 4.07Å
135	T	86.8	Confident	86.5	Confident	55 Å²	55	64.3 Å²	64.3	34%	0.337	31%	0.312	S	S	.	.			trans	-108.2	118.4	179.5	56.9	0	0	0	0	110.8	K133 H138 P228 D229	K133-T135 PolarHBondContact O-N 2.76Å; T135-H138 PolarHBondContact O-CE1 2.98Å; T135-H138 PolarHBondContact O-ND1 3.33Å; T135-P228 HydrophobicContact CG2-CB 3.79Å; T135-P228 HydrophobicContact CG2-CG 4.23Å; T135-D229 VanDerWaalsContact C-OD1 3.28Å; T135-D229 WeakPolarHBondContact CA-OD1 3.43Å; T135-D229 WeakPolarHBondContact CA-OD2 3.3Å; T135-D229 WeakPolarHBondContact CB-OD1 3.33Å
136	V	90.6	Very high	86.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.309	C	S	.	.			trans	-116.6	-5.9	177.6	-62.4	0	0	0	0	113.2	L62 L123 V134 H138 L139 F140 D229	L62-V136 HydrophobicContact CD1-CG2 3.78Å; L62-V136 HydrophobicContact CD2-CG2 3.99Å; L123-V136 HydrophobicContact CD1-CB 4.08Å; L123-V136 HydrophobicContact CD1-CG1 3.76Å; V134-V136 HydrophobicContact CG1-CG1 4.07Å; V136-H138 PolarHBondContact O-N 3.46Å; V136-L139 WeakPolarHBondContact O-CB 3.42Å; V136-L139 PolarHBondContact O-N 3.12Å; V136-F140 HydrophobicContact CG2-CE2 4.23Å; V136-D229 VanDerWaalsContact N-CG 3.32Å; V136-D229 PolarHBondContact N-OD1 3.27Å; V136-D229 PolarHBondContact N-OD2 3.09Å
137	G	90.3	Very high	86.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-32.7	-174.3	0	0	0	0	0	113.5	L139 F140 Q141 D229	G137-L139 VanDerWaalsContact C-N 3.27Å; G137-L139 PolarHBondContact O-N 2.84Å; G137-F140 PolarHBondContact O-N 3.06Å; G137-Q141 PolarHBondContact O-N 3.45Å; G137-D229 VanDerWaalsContact N-CG 3.35Å; G137-D229 PolarHBondContact N-OD1 3.47Å
138	H	92.6	Very high	86.9	Confident	90 Å²	90	66.2 Å²	66.2	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-31.2	175.3	68.8	-81.1	0	0	0	113.1	T135 V136 K142 L232	T135-H138 PolarHBondContact O-CE1 2.98Å; T135-H138 PolarHBondContact O-ND1 3.33Å; V136-H138 PolarHBondContact O-N 3.46Å; H138-K142 PolarHBondContact O-N 3.4Å; H138-L232 HydrophobicContact CB-CD1 4.24Å
139	L	94	Very high	87.3	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-43.4	176.1	-58.9	178.3	0	0	0	110.5	F119 A122 L123 V136 G137 Q141 K142 L143	F119-L139 HydrophobicContact CD2-CB 4.05Å; F119-L139 HydrophobicContact CE2-CB 3.65Å; F119-L139 WeakPolarHBondContact CE2-O 3.49Å; A122-L139 HydrophobicContact CB-CD1 4.22Å; A122-L139 HydrophobicContact CB-CD2 3.74Å; L123-L139 HydrophobicContact CB-CD1 4.13Å; L123-L139 HydrophobicContact CD1-CD1 4.06Å; V136-L139 WeakPolarHBondContact O-CB 3.42Å; V136-L139 PolarHBondContact O-N 3.12Å; G137-L139 VanDerWaalsContact C-N 3.27Å; G137-L139 PolarHBondContact O-N 2.84Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-K142 WeakPolarHBondContact O-CB 3.4Å; L139-K142 PolarHBondContact O-N 3.37Å; L139-L143 PolarHBondContact O-N 3.03Å
140	F	94.1	Very high	87.7	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-35.7	176.7	-76.6	-87.9	0	0	0	112.3	L62 F65 F119 V136 G137 L143 A144 L216 L219 L233 A236	L62-F140 HydrophobicContact CD2-CE2 3.83Å; L62-F140 HydrophobicContact CD2-CZ 4Å; F65-F140 HydrophobicContact CD1-CE1 4.1Å; F65-F140 AromaticContact CD1-CZ 3.83Å; F65-F140 HydrophobicContact CD1-CZ 3.83Å; F65-F140 AromaticContact CE1-CE1 3.58Å; F65-F140 HydrophobicContact CE1-CE1 3.58Å; F65-F140 AromaticContact CE1-CZ 3.72Å; F65-F140 HydrophobicContact CE1-CZ 3.72Å; F65-F140 HydrophobicContact CZ-CE1 4.08Å; F119-F140 HydrophobicContact CE2-CD1 4.44Å; F119-F140 HydrophobicContact CE2-CD2 4.4Å; F119-F140 HydrophobicContact CE2-CG 4.32Å; F119-F140 HydrophobicContact CZ-CD1 4.19Å; F119-F140 HydrophobicContact CZ-CD2 4.24Å; F119-F140 AromaticContact CZ-CE1 3.96Å; F119-F140 HydrophobicContact CZ-CE1 3.96Å; F119-F140 HydrophobicContact CZ-CE2 4Å; F119-F140 HydrophobicContact CZ-CG 4.33Å; F119-F140 AromaticContact CZ-CZ 3.86Å; F119-F140 HydrophobicContact CZ-CZ 3.86Å; V136-F140 HydrophobicContact CG2-CE2 4.23Å; G137-F140 PolarHBondContact O-N 3.06Å; F140-L143 WeakPolarHBondContact O-CB 3.46Å; F140-L143 PolarHBondContact O-N 3Å; F140-A144 WeakPolarHBondContact O-CB 3.43Å; F140-A144 PolarHBondContact O-N 2.84Å; F140-L216 HydrophobicContact CB-CD2 3.9Å; F140-L216 HydrophobicContact CD1-CD2 3.62Å; F140-L216 HydrophobicContact CD1-CG 4.15Å; F140-L216 HydrophobicContact CE1-CD2 4.34Å; F140-L216 HydrophobicContact CG-CD2 3.86Å; F140-L219 HydrophobicContact CD2-CD1 4.43Å; F140-L219 HydrophobicContact CE1-CD1 4.06Å; F140-L219 HydrophobicContact CE2-CD1 3.75Å; F140-L219 HydrophobicContact CZ-CD1 3.53Å; F140-L233 HydrophobicContact CB-CD2 4.23Å; F140-L233 HydrophobicContact CD2-CD2 3.94Å; F140-L233 HydrophobicContact CG-CD2 4.16Å; F140-A236 HydrophobicContact CB-CB 4.11Å
141	Q	91.2	Very high	87.8	Confident	66 Å²	66	50.1 Å²	50.1	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-41.4	173.1	-164.1	-175.5	23.6	0	0	111.4	G137 L139 L143 A144 S145 D235	G137-Q141 PolarHBondContact O-N 3.45Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 2.85Å; Q141-A144 PolarHBondContact O-N 3.39Å; Q141-S145 PolarHBondContact O-N 2.9Å; Q141-D235 PolarHBondContact NE2-OD2 3.31Å
142	K	92.9	Very high	88.3	Confident	112 Å²	112	47 Å²	47	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-45.4	172	-172.3	-174.1	172.8	-161.8	0	110.4	E118 H138 L139 S145	E118-K142 IonicContact OE2-NZ 3.47Å; E118-K142 PolarHBondContact OE2-NZ 3.14Å; H138-K142 PolarHBondContact O-N 3.4Å; L139-K142 WeakPolarHBondContact O-CB 3.4Å; L139-K142 PolarHBondContact O-N 3.37Å; K142-S145 PolarHBondContact O-N 2.9Å; K142-S145 PolarHBondContact O-OG 3.21Å
143	L	91.5	Very high	89.4	Confident	18 Å²	18	42.1 Å²	42.1	9%	0.094	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-47.5	176.7	-172.5	64.5	0	0	0	112	I115 F119 L139 F140 Q141 S145 Q146	I115-L143 HydrophobicContact CG2-CD1 3.56Å; F119-L143 HydrophobicContact CD2-CB 4.02Å; F119-L143 HydrophobicContact CD2-CD2 4.21Å; F119-L143 HydrophobicContact CE2-CB 4.24Å; F119-L143 HydrophobicContact CE2-CD2 4.19Å; F119-L143 HydrophobicContact CG-CD2 4.47Å; F119-L143 HydrophobicContact CZ-CD2 4.45Å; L139-L143 PolarHBondContact O-N 3.03Å; F140-L143 WeakPolarHBondContact O-CB 3.46Å; F140-L143 PolarHBondContact O-N 3Å; Q141-L143 VanDerWaalsContact C-N 3.34Å; Q141-L143 PolarHBondContact O-N 2.85Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.45Å; L143-Q146 PolarHBondContact O-N 3.43Å
144	A	89.7	Confident	90.1	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-32.5	177.5	0	0	0	0	0	112.8	F140 Q141 Q146 L147 A236 I239	F140-A144 WeakPolarHBondContact O-CB 3.43Å; F140-A144 PolarHBondContact O-N 2.84Å; Q141-A144 PolarHBondContact O-N 3.39Å; A144-Q146 PolarHBondContact O-N 2.95Å; A144-L147 HydrophobicContact CB-CD1 4.39Å; A144-L147 WeakPolarHBondContact O-CB 3.3Å; A144-L147 WeakPolarHBondContact O-CD1 3.47Å; A144-L147 WeakPolarHBondContact O-CG 3.5Å; A144-L147 PolarHBondContact O-N 2.93Å; A144-A236 HydrophobicContact CB-CB 4.32Å; A144-I239 HydrophobicContact CB-CB 4.17Å; A144-I239 HydrophobicContact CB-CG2 4.01Å
145	S	90.4	Very high	90.3	Very high	76 Å²	76	38 Å²	38	53%	0.531	21%	0.214	S	C	.	.	H	α-helix	trans	-66.1	-19.9	175.4	78.7	0	0	0	0	113.8	Q141 K142 L143	Q141-S145 PolarHBondContact O-N 2.9Å; K142-S145 PolarHBondContact O-N 2.9Å; K142-S145 PolarHBondContact O-OG 3.21Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.45Å
146	Q	92.4	Very high	90.5	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.4	-179.3	-60	-61.2	-45.9	0	0	113.3	I115 L143 A144 G148 V149	I115-Q146 HydrophobicContact CD1-CB 3.85Å; I115-Q146 HydrophobicContact CD1-CG 4.31Å; I115-Q146 HydrophobicContact CG1-CB 4.31Å; I115-Q146 HydrophobicContact CG1-CG 4.3Å; I115-Q146 HydrophobicContact CG2-CB 4.19Å; I115-Q146 HydrophobicContact CG2-CG 4.34Å; L143-Q146 PolarHBondContact O-N 3.43Å; A144-Q146 PolarHBondContact O-N 2.95Å; Q146-G148 PolarHBondContact O-N 3.2Å; Q146-V149 WeakPolarHBondContact O-CB 3.37Å; Q146-V149 PolarHBondContact O-N 3.21Å
147	L	89.6	Confident	90.4	Very high	15 Å²	15	38.5 Å²	38.5	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-17.1	-179.5	-68.9	173.8	0	0	0	113.9	A144 V149 Y150 K151 V209 I239 F243	A144-L147 HydrophobicContact CB-CD1 4.39Å; A144-L147 WeakPolarHBondContact O-CB 3.3Å; A144-L147 WeakPolarHBondContact O-CD1 3.47Å; A144-L147 WeakPolarHBondContact O-CG 3.5Å; A144-L147 PolarHBondContact O-N 2.93Å; L147-V149 PolarHBondContact O-N 3.31Å; L147-Y150 HydrophobicContact CD2-CD2 4.19Å; L147-Y150 HydrophobicContact CD2-CG 4.41Å; L147-Y150 WeakPolarHBondContact O-CB 3.44Å; L147-Y150 PolarHBondContact O-N 2.85Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; L147-K151 PolarHBondContact O-N 3.06Å; L147-V209 HydrophobicContact CD2-CG2 3.63Å; L147-I239 HydrophobicContact CD1-CG2 4.19Å; L147-F243 HydrophobicContact CB-CB 4.49Å; L147-F243 HydrophobicContact CB-CD1 4.16Å; L147-F243 HydrophobicContact CB-CD2 4.12Å; L147-F243 HydrophobicContact CB-CE1 4.39Å; L147-F243 HydrophobicContact CB-CE2 4.4Å; L147-F243 HydrophobicContact CB-CG 3.98Å; L147-F243 HydrophobicContact CB-CZ 4.49Å; L147-F243 HydrophobicContact CD1-CB 3.72Å; L147-F243 HydrophobicContact CD1-CD1 3.96Å; L147-F243 HydrophobicContact CD1-CG 3.91Å; L147-F243 HydrophobicContact CD2-CD1 3.81Å; L147-F243 HydrophobicContact CD2-CE1 3.95Å; L147-F243 HydrophobicContact CD2-CG 4.44Å; L147-F243 HydrophobicContact CG-CD1 4.19Å; L147-F243 HydrophobicContact CG-CG 4.33Å; L147-F243 WeakPolarHBondContact O-CE2 3.47Å
148	G	87.7	Confident	90.1	Very high	58 Å²	58	46.1 Å²	46.1	60%	0.598	25%	0.246	S	C	*	.	H	α-helix	trans	-60.1	-30.2	169.9	0	0	0	0	0	113.5	Q146 K151 A152	Q146-G148 PolarHBondContact O-N 3.2Å; G148-K151 WeakPolarHBondContact O-CB 3.31Å; G148-K151 PolarHBondContact O-N 2.73Å; G148-A152 PolarHBondContact O-N 3.48Å
149	V	92	Very high	90	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-40.6	174.3	-179.2	0	0	0	0	110.5	K108 D111 I112 I115 Q146 L147 K151 A152 F153	K108-V149 HydrophobicContact CB-CG1 4.08Å; K108-V149 HydrophobicContact CD-CG1 4.16Å; K108-V149 HydrophobicContact CG-CG1 4.32Å; D111-V149 HydrophobicContact CB-CG1 3.71Å; I112-V149 HydrophobicContact CG1-CG1 3.9Å; I115-V149 HydrophobicContact CD1-CB 4.09Å; I115-V149 HydrophobicContact CD1-CG1 4.18Å; I115-V149 HydrophobicContact CD1-CG2 4.02Å; Q146-V149 WeakPolarHBondContact O-CB 3.37Å; Q146-V149 PolarHBondContact O-N 3.21Å; L147-V149 PolarHBondContact O-N 3.31Å; V149-K151 VanDerWaalsContact C-N 3.33Å; V149-A152 PolarHBondContact O-N 3.29Å; V149-F153 PolarHBondContact O-N 3.44Å
150	Y	90.6	Very high	89.8	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-41.2	172.6	-84.8	-91.1	0	0	0	111.9	Y72 I112 H116 L147 A152 F153 V154 P205 V209	Y72-Y150 PolarHBondContact OH-OH 2.89Å; I112-Y150 HydrophobicContact CD1-CD1 4.44Å; I112-Y150 HydrophobicContact CD1-CE1 4.34Å; I112-Y150 HydrophobicContact CG1-CE2 4.32Å; I112-Y150 HydrophobicContact CG2-CE1 4.35Å; I112-Y150 HydrophobicContact CG2-CE2 4.22Å; I112-Y150 VanDerWaalsContact CG2-OH 3.26Å; I112-Y150 WeakPolarHBondContact CG2-OH 3.32Å; H116-Y150 PolarHBondContact CD2-OH 3.04Å; H116-Y150 AromaticContact NE2-CE2 3.83Å; H116-Y150 AromaticContact NE2-CZ 3.63Å; H116-Y150 PolarHBondContact NE2-OH 2.96Å; L147-Y150 HydrophobicContact CD2-CD2 4.19Å; L147-Y150 HydrophobicContact CD2-CG 4.41Å; L147-Y150 WeakPolarHBondContact O-CB 3.44Å; L147-Y150 PolarHBondContact O-N 2.85Å; L147-Y150 VanDerWaalsContact O-N 3.14Å; Y150-A152 PolarHBondContact O-N 3.01Å; Y150-F153 WeakPolarHBondContact O-CB 3.47Å; Y150-F153 PolarHBondContact O-N 3.16Å; Y150-V154 VanDerWaalsContact O-CG2 3.28Å; Y150-V154 WeakPolarHBondContact O-CG2 3.46Å; Y150-V154 PolarHBondContact O-N 2.94Å; Y150-P205 HydrophobicContact CE1-CB 3.97Å; Y150-P205 VanDerWaalsContact CE1-O 3.28Å; Y150-P205 WeakPolarHBondContact CE1-O 3.28Å; Y150-V209 HydrophobicContact CD1-CB 4.09Å; Y150-V209 HydrophobicContact CD1-CG1 4.33Å; Y150-V209 HydrophobicContact CE1-CB 4.18Å
151	K	85.1	Confident	89.6	Confident	44 Å²	44	47.1 Å²	47.1	19%	0.191	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-52.7	175.4	-172.6	48.8	179.6	154	0	111	L147 G148 V149 F153 V154 D155 F243 E250	L147-K151 PolarHBondContact O-N 3.06Å; G148-K151 WeakPolarHBondContact O-CB 3.31Å; G148-K151 PolarHBondContact O-N 2.73Å; V149-K151 VanDerWaalsContact C-N 3.33Å; K151-F153 VanDerWaalsContact C-N 3.28Å; K151-F153 PolarHBondContact O-N 3.28Å; K151-V154 PolarHBondContact O-N 2.85Å; K151-D155 VanDerWaalsContact CE-OD1 3.25Å; K151-D155 WeakPolarHBondContact CE-OD1 3.26Å; K151-D155 WeakPolarHBondContact CE-OD2 3.43Å; K151-D155 IonicContact NZ-OD1 3.17Å; K151-D155 PolarHBondContact NZ-OD1 2.97Å; K151-D155 IonicContact NZ-OD2 3.04Å; K151-D155 PolarHBondContact O-N 3.34Å; K151-F243 HydrophobicContact CB-CE2 3.81Å; K151-F243 HydrophobicContact CB-CZ 4.41Å; K151-F243 HydrophobicContact CD-CE2 4.29Å; K151-E250 VanDerWaalsContact NZ-CD 3.27Å; K151-E250 IonicContact NZ-OE1 2.67Å; K151-E250 PolarHBondContact NZ-OE1 2.75Å; K151-E250 IonicContact NZ-OE2 3.33Å; K151-E250 PolarHBondContact NZ-OE2 3.37Å
152	A	89.1	Confident	89.5	Confident	24 Å²	24	48.6 Å²	48.6	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-36.9	179.5	0	0	0	0	0	112.6	Y107 K108 G148 V149 Y150 N156	Y107-A152 WeakPolarHBondContact CD1-O 3.31Å; Y107-A152 HydrophobicContact CE1-CB 3.93Å; Y107-A152 VanDerWaalsContact CE1-O 3.24Å; Y107-A152 WeakPolarHBondContact CE1-O 3.14Å; K108-A152 HydrophobicContact CG-CB 4.09Å; G148-A152 PolarHBondContact O-N 3.48Å; V149-A152 PolarHBondContact O-N 3.29Å; Y150-A152 PolarHBondContact O-N 3.01Å; A152-N156 PolarHBondContact O-N 3.41Å
153	F	92.4	Very high	89.4	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-52.1	173	178.2	-91.2	0	0	0	112	Y107 K108 V109 I112 V149 Y150 K151 D155 N156 Y157 L202 P205 I206	Y107-F153 WeakPolarHBondContact O-CD2 3.11Å; K108-F153 HydrophobicContact CB-CB 4.16Å; K108-F153 HydrophobicContact CB-CD2 4.5Å; V109-F153 HydrophobicContact CG2-CD2 4.28Å; V109-F153 HydrophobicContact CG2-CE2 3.69Å; I112-F153 HydrophobicContact CD1-CB 3.78Å; I112-F153 HydrophobicContact CD1-CD1 4.48Å; I112-F153 HydrophobicContact CD1-CD2 3.91Å; I112-F153 HydrophobicContact CD1-CG 3.79Å; V149-F153 PolarHBondContact O-N 3.44Å; Y150-F153 WeakPolarHBondContact O-CB 3.47Å; Y150-F153 PolarHBondContact O-N 3.16Å; K151-F153 VanDerWaalsContact C-N 3.28Å; K151-F153 PolarHBondContact O-N 3.28Å; F153-D155 VanDerWaalsContact C-N 3.33Å; F153-D155 PolarHBondContact O-N 3.01Å; F153-N156 PolarHBondContact O-N 3.01Å; F153-N156 VanDerWaalsContact O-N 3.15Å; F153-Y157 HydrophobicContact CE1-CD2 4.13Å; F153-Y157 HydrophobicContact CZ-CD2 4.27Å; F153-Y157 PolarHBondContact O-N 3.15Å; F153-L202 VanDerWaalsContact CZ-O 3.25Å; F153-L202 WeakPolarHBondContact CZ-O 3.49Å; F153-P205 HydrophobicContact CD1-CB 4.07Å; F153-P205 HydrophobicContact CE1-CB 3.81Å; F153-P205 HydrophobicContact CE1-CG 3.92Å; F153-P205 HydrophobicContact CE2-CG 4.38Å; F153-P205 HydrophobicContact CZ-CB 4.25Å; F153-P205 HydrophobicContact CZ-CG 3.85Å; F153-I206 HydrophobicContact CE1-CG1 4.15Å
154	V	87.2	Confident	89.2	Confident	21 Å²	21	43.9 Å²	43.9	13%	0.127	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-42.6	-177.8	171.1	0	0	0	0	111.2	Y150 K151 N156 Y157 I206 I247	Y150-V154 VanDerWaalsContact O-CG2 3.28Å; Y150-V154 WeakPolarHBondContact O-CG2 3.46Å; Y150-V154 PolarHBondContact O-N 2.94Å; K151-V154 PolarHBondContact O-N 2.85Å; V154-N156 PolarHBondContact O-N 2.76Å; V154-Y157 WeakPolarHBondContact O-CB 3.12Å; V154-Y157 PolarHBondContact O-N 3.27Å; V154-Y157 VanDerWaalsContact O-N 3.13Å; V154-I206 HydrophobicContact CG2-CG1 4.22Å; V154-I247 HydrophobicContact CG1-CG1 4.48Å; V154-I247 HydrophobicContact CG1-CG2 4.09Å; V154-I247 HydrophobicContact CG2-CD1 4.25Å
155	D	85.4	Confident	89.1	Confident	86 Å²	86	48.4 Å²	48.4	46%	0.46	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-29.3	179.8	-63.9	-13.9	0	0	0	112.3	K151 F153	K151-D155 VanDerWaalsContact CE-OD1 3.25Å; K151-D155 WeakPolarHBondContact CE-OD1 3.26Å; K151-D155 WeakPolarHBondContact CE-OD2 3.43Å; K151-D155 IonicContact NZ-OD1 3.17Å; K151-D155 PolarHBondContact NZ-OD1 2.97Å; K151-D155 IonicContact NZ-OD2 3.04Å; K151-D155 PolarHBondContact O-N 3.34Å; F153-D155 VanDerWaalsContact C-N 3.33Å; F153-D155 PolarHBondContact O-N 3.01Å
156	N	91.1	Very high	89.1	Confident	27 Å²	27	50.6 Å²	50.6	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-95.3	-10.7	178.3	-178.4	74.5	0	0	0	113.8	T104 Y107 A152 F153 V154 K158 N159 A160	T104-N156 PolarHBondContact O-ND2 3.4Å; Y107-N156 WeakPolarHBondContact CB-ND2 3.23Å; Y107-N156 HydrophobicContact CD1-CB 3.65Å; Y107-N156 HydrophobicContact CE1-CB 4.3Å; Y107-N156 HydrophobicContact CG-CB 4.3Å; A152-N156 PolarHBondContact O-N 3.41Å; F153-N156 PolarHBondContact O-N 3.01Å; F153-N156 VanDerWaalsContact O-N 3.15Å; V154-N156 PolarHBondContact O-N 2.76Å; N156-K158 PolarHBondContact O-N 3.45Å; N156-N159 WeakPolarHBondContact O-CB 3.18Å; N156-N159 PolarHBondContact O-N 3.06Å; N156-A160 PolarHBondContact O-N 2.9Å
157	Y	88.6	Confident	88.9	Confident	40 Å²	40	47.2 Å²	47.2	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-45.9	-170.2	173.8	-109	0	0	0	113.8	F153 V154 N159 A160 L161 L202 I206	F153-Y157 HydrophobicContact CE1-CD2 4.13Å; F153-Y157 HydrophobicContact CZ-CD2 4.27Å; F153-Y157 PolarHBondContact O-N 3.15Å; V154-Y157 WeakPolarHBondContact O-CB 3.12Å; V154-Y157 PolarHBondContact O-N 3.27Å; V154-Y157 VanDerWaalsContact O-N 3.13Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.5Å; Y157-A160 WeakPolarHBondContact O-CB 3.37Å; Y157-A160 PolarHBondContact O-N 3.3Å; Y157-L161 HydrophobicContact CD1-CD1 4.31Å; Y157-L161 HydrophobicContact CE1-CD1 3.6Å; Y157-L161 HydrophobicContact CE1-CG 4.36Å; Y157-L161 HydrophobicContact CE2-CD1 4.07Å; Y157-L161 HydrophobicContact CE2-CD2 4.29Å; Y157-L161 HydrophobicContact CE2-CG 4.04Å; Y157-L161 VanDerWaalsContact CZ-CD1 3.47Å; Y157-L161 PolarHBondContact O-N 2.96Å; Y157-L202 HydrophobicContact CE2-CB 4.18Å; Y157-L202 WeakPolarHBondContact CE2-O 3.36Å; Y157-I206 HydrophobicContact CD1-CD1 3.71Å; Y157-I206 HydrophobicContact CD2-CD1 3.92Å; Y157-I206 HydrophobicContact CE1-CD1 3.89Å; Y157-I206 HydrophobicContact CE2-CD1 4.11Å; Y157-I206 HydrophobicContact CG-CD1 3.71Å
158	K	85.8	Confident	88.8	Confident	160 Å²	160	47.2 Å²	47.2	70%	0.696	25%	0.249	S	C	*	.	H	α-helix	trans	-60.4	-44.3	177.7	-67.4	-173.8	179	-177.6	0	111.9	N156 A160 L161 E162	N156-K158 PolarHBondContact O-N 3.45Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.41Å; K158-L161 PolarHBondContact O-N 2.88Å; K158-E162 PolarHBondContact O-N 3.29Å; K158-E162 VanDerWaalsContact O-N 3.07Å
159	N	89.7	Confident	88.8	Confident	84 Å²	84	51.4 Å²	51.4	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-36.6	177.5	-62.2	-23.2	0	0	0	111.6	T104 N156 Y157 T163	T104-N159 HydrophobicContact CG2-CB 4.24Å; N156-N159 WeakPolarHBondContact O-CB 3.18Å; N156-N159 PolarHBondContact O-N 3.06Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.5Å; N159-T163 WeakPolarHBondContact O-CB 3.46Å; N159-T163 PolarHBondContact O-N 3.27Å; N159-T163 PolarHBondContact O-OG1 2.84Å
160	A	90.3	Very high	88.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-46.7	176.7	0	0	0	0	0	111.6	T104 N156 Y157 K158 T163 A164	T104-A160 WeakPolarHBondContact O-CB 3.35Å; N156-A160 PolarHBondContact O-N 2.9Å; Y157-A160 WeakPolarHBondContact O-CB 3.37Å; Y157-A160 PolarHBondContact O-N 3.3Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.41Å; A160-T163 PolarHBondContact O-N 3.13Å; A160-A164 VanDerWaalsContact O-CB 3.31Å; A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.06Å
161	L	88.4	Confident	88.4	Confident	46 Å²	46	56.3 Å²	56.3	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-52.4	176.6	-74.2	-179.5	0	0	0	111.9	Y157 K158 T163 A164 E165 E199 L202	Y157-L161 HydrophobicContact CD1-CD1 4.31Å; Y157-L161 HydrophobicContact CE1-CD1 3.6Å; Y157-L161 HydrophobicContact CE1-CG 4.36Å; Y157-L161 HydrophobicContact CE2-CD1 4.07Å; Y157-L161 HydrophobicContact CE2-CD2 4.29Å; Y157-L161 HydrophobicContact CE2-CG 4.04Å; Y157-L161 VanDerWaalsContact CZ-CD1 3.47Å; Y157-L161 PolarHBondContact O-N 2.96Å; K158-L161 PolarHBondContact O-N 2.88Å; L161-T163 PolarHBondContact O-N 3.24Å; L161-A164 PolarHBondContact O-N 2.82Å; L161-A164 VanDerWaalsContact O-N 3.15Å; L161-E165 PolarHBondContact O-N 3.48Å; L161-E199 HydrophobicContact CD2-CB 4.03Å; L161-E199 HydrophobicContact CD2-CG 3.97Å; L161-L202 HydrophobicContact CD2-CD1 4.44Å
162	E	88.9	Confident	88.4	Confident	98 Å²	98	59.8 Å²	59.8	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-58.9	-38.4	178.8	-74	-172.4	-156	0	0	112.2	K158 K166	K158-E162 PolarHBondContact O-N 3.29Å; K158-E162 VanDerWaalsContact O-N 3.07Å; E162-K166 WeakPolarHBondContact O-CB 3.28Å; E162-K166 WeakPolarHBondContact O-CD 3.2Å; E162-K166 WeakPolarHBondContact O-CG 3.44Å; E162-K166 PolarHBondContact O-N 2.72Å; E162-K166 IonicContact OE2-NZ 2.84Å; E162-K166 PolarHBondContact OE2-NZ 3.01Å
163	T	90.7	Very high	88.1	Confident	30 Å²	30	64.5 Å²	64.5	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-41.3	179	-57.2	0	0	0	0	110.8	Q101 I105 N159 A160 L161 C167	Q101-T163 HydrophobicContact CB-CG2 4.22Å; Q101-T163 HydrophobicContact CG-CG2 4.08Å; I105-T163 HydrophobicContact CD1-CG2 4.12Å; I105-T163 HydrophobicContact CG1-CG2 3.92Å; N159-T163 WeakPolarHBondContact O-CB 3.46Å; N159-T163 PolarHBondContact O-N 3.27Å; N159-T163 PolarHBondContact O-OG1 2.84Å; A160-T163 PolarHBondContact O-N 3.13Å; L161-T163 PolarHBondContact O-N 3.24Å; T163-C167 VanDerWaalsContact O-CB 3.29Å; T163-C167 WeakPolarHBondContact O-CB 3.43Å; T163-C167 PolarHBondContact O-N 3.29Å; T163-C167 PolarHBondContact O-SG 2.94Å
164	A	89.1	Confident	87.9	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-46	176.4	0	0	0	0	0	111	I105 A160 L161 C167 S168	I105-A164 HydrophobicContact CD1-CB 4.25Å; I105-A164 HydrophobicContact CG1-CB 4.18Å; I105-A164 HydrophobicContact CG2-CB 4.3Å; A160-A164 VanDerWaalsContact O-CB 3.31Å; A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.06Å; L161-A164 PolarHBondContact O-N 2.82Å; L161-A164 VanDerWaalsContact O-N 3.15Å; A164-C167 PolarHBondContact O-N 3.37Å; A164-S168 WeakPolarHBondContact O-CB 3.49Å; A164-S168 PolarHBondContact O-N 3.13Å
165	E	87.7	Confident	87.8	Confident	100 Å²	100	66.6 Å²	66.6	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-50.4	178.7	-166.8	-166.8	166.1	0	0	111.6	L161 C167 S168 Q169	L161-E165 PolarHBondContact O-N 3.48Å; E165-C167 VanDerWaalsContact C-N 3.28Å; E165-C167 PolarHBondContact O-N 3.46Å; E165-S168 WeakPolarHBondContact O-CB 3.38Å; E165-S168 PolarHBondContact O-N 3.23Å; E165-S168 VanDerWaalsContact O-N 3.11Å; E165-Q169 WeakPolarHBondContact O-CG 3.35Å; E165-Q169 PolarHBondContact O-N 3.43Å; E165-Q169 PolarHBondContact OE1-NE2 2.82Å
166	K	88.8	Confident	87.7	Confident	122 Å²	122	69 Å²	69	53%	0.53	34%	0.343	S	S	.	.	H	α-helix	trans	-58	-41.2	177.2	-73.9	166.8	-171.8	154.3	0	111.7	E162 A170	E162-K166 WeakPolarHBondContact O-CB 3.28Å; E162-K166 WeakPolarHBondContact O-CD 3.2Å; E162-K166 WeakPolarHBondContact O-CG 3.44Å; E162-K166 PolarHBondContact O-N 2.72Å; E162-K166 IonicContact OE2-NZ 2.84Å; E162-K166 PolarHBondContact OE2-NZ 3.01Å; K166-A170 WeakPolarHBondContact O-CB 3.39Å; K166-A170 PolarHBondContact O-N 3.28Å; K166-A170 VanDerWaalsContact O-N 3.14Å
167	C	89.6	Confident	87.3	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.027	35%	0.35	C	S	.	.	H	α-helix	trans	-70.2	-35.7	178	-68.2	0	0	0	0	112.5	L97 Q101 T163 A164 E165 A170 N171 F174	L97-C167 HydrophobicContact CD2-CB 3.53Å; Q101-C167 PolarHBondContact NE2-SG 3.36Å; Q101-C167 VanDerWaalsContact NE2-SG 3.41Å; T163-C167 VanDerWaalsContact O-CB 3.29Å; T163-C167 WeakPolarHBondContact O-CB 3.43Å; T163-C167 PolarHBondContact O-N 3.29Å; T163-C167 PolarHBondContact O-SG 2.94Å; A164-C167 PolarHBondContact O-N 3.37Å; E165-C167 VanDerWaalsContact C-N 3.28Å; E165-C167 PolarHBondContact O-N 3.46Å; C167-A170 PolarHBondContact O-N 3.11Å; C167-N171 PolarHBondContact O-N 3.16Å; C167-F174 HydrophobicContact CB-CD1 3.64Å; C167-F174 HydrophobicContact CB-CE1 3.72Å
168	S	87.6	Confident	86.9	Confident	15 Å²	15	68.7 Å²	68.7	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-45.9	176.9	-170.2	0	0	0	0	110.5	A164 E165 A170 Q175	A164-S168 WeakPolarHBondContact O-CB 3.49Å; A164-S168 PolarHBondContact O-N 3.13Å; E165-S168 WeakPolarHBondContact O-CB 3.38Å; E165-S168 PolarHBondContact O-N 3.23Å; E165-S168 VanDerWaalsContact O-N 3.11Å; S168-A170 VanDerWaalsContact C-N 3.3Å; S168-A170 PolarHBondContact O-N 3.06Å; S168-Q175 WeakPolarHBondContact OG-CA 3.23Å
169	Q	86.1	Confident	86.5	Confident	145 Å²	145	66.3 Å²	66.3	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-64.9	-32.5	175.7	-65.6	175.2	10.5	0	0	113	E165	E165-Q169 WeakPolarHBondContact O-CG 3.35Å; E165-Q169 PolarHBondContact O-N 3.43Å; E165-Q169 PolarHBondContact OE1-NE2 2.82Å
170	A	87.2	Confident	85.5	Confident	89 Å²	89	65.2 Å²	65.2	74%	0.736	33%	0.331	S	S	*	.	H	α-helix	trans	-84.7	-22.9	-176.7	0	0	0	0	0	114.3	K166 C167 S168	K166-A170 WeakPolarHBondContact O-CB 3.39Å; K166-A170 PolarHBondContact O-N 3.28Å; K166-A170 VanDerWaalsContact O-N 3.14Å; C167-A170 PolarHBondContact O-N 3.11Å; S168-A170 VanDerWaalsContact C-N 3.3Å; S168-A170 PolarHBondContact O-N 3.06Å
171	N	87.1	Confident	84.8	Confident	42 Å²	42	65.6 Å²	65.6	23%	0.225	33%	0.333	C	S	.	.			trans	-141.5	110.6	-173.7	-169.6	-33.1	0	0	0	113	V96 C167 Q173 F174 Q175	V96-N171 PolarHBondContact O-ND2 3.12Å; V96-N171 VanDerWaalsContact O-ND2 3.08Å; C167-N171 PolarHBondContact O-N 3.16Å; N171-Q173 PolarHBondContact O-N 3.26Å; N171-Q173 VanDerWaalsContact O-N 3.16Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.2Å; N171-Q173 PolarHBondContact OD1-N 2.91Å; N171-F174 HydrophobicContact CB-CB 4.18Å; N171-F174 PolarHBondContact O-N 2.75Å; N171-Q175 PolarHBondContact O-N 3.27Å
172	I	85.5	Confident	84.1	Confident	117 Å²	117	71.4 Å²	71.4	60%	0.6	35%	0.352	S	S	*	.	H	α-helix	trans	-57.9	-31.7	-180	-60.2	171	0	0	0	112.8	K176	I172-K176 WeakPolarHBondContact O-CG 3.23Å; I172-K176 PolarHBondContact O-N 2.99Å; I172-K176 VanDerWaalsContact O-N 3.17Å
173	Q	83.5	Confident	83.4	Confident	124 Å²	124	67.3 Å²	67.3	58%	0.579	33%	0.334	S	S	*	.	H	α-helix	trans	-69.9	-39.6	177	-64.6	-173.9	-25.1	0	0	111.3	V96 N171 I177	V96-Q173 HydrophobicContact CG1-CB 4.3Å; N171-Q173 PolarHBondContact O-N 3.26Å; N171-Q173 VanDerWaalsContact O-N 3.16Å; N171-Q173 WeakPolarHBondContact OD1-CB 3.2Å; N171-Q173 PolarHBondContact OD1-N 2.91Å; Q173-I177 WeakPolarHBondContact O-CD1 3.49Å; Q173-I177 WeakPolarHBondContact O-CG1 3.4Å; Q173-I177 PolarHBondContact O-N 2.98Å
174	F	87.6	Confident	82.4	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-39.4	175.5	-175.2	-109.8	0	0	0	111.7	L86 V96 L97 I105 C167 N171 K176 I177 S178 M198	L86-F174 HydrophobicContact CD1-CD2 4.33Å; L86-F174 HydrophobicContact CD1-CE2 4.16Å; V96-F174 HydrophobicContact CG1-CB 4.02Å; L97-F174 HydrophobicContact CD1-CD2 3.6Å; L97-F174 HydrophobicContact CD1-CE2 3.5Å; L97-F174 VanDerWaalsContact CD1-CE2 3.5Å; L97-F174 HydrophobicContact CD1-CG 4.23Å; L97-F174 HydrophobicContact CD1-CZ 4.03Å; L97-F174 HydrophobicContact CD2-CB 4.46Å; L97-F174 HydrophobicContact CD2-CD1 4.25Å; L97-F174 HydrophobicContact CD2-CD2 4.23Å; L97-F174 HydrophobicContact CD2-CG 4.03Å; L97-F174 HydrophobicContact CG-CD2 4.03Å; L97-F174 HydrophobicContact CG-CE2 4.4Å; L97-F174 HydrophobicContact CG-CG 4.3Å; I105-F174 HydrophobicContact CD1-CE1 4.37Å; I105-F174 HydrophobicContact CD1-CZ 3.94Å; C167-F174 HydrophobicContact CB-CD1 3.64Å; C167-F174 HydrophobicContact CB-CE1 3.72Å; N171-F174 HydrophobicContact CB-CB 4.18Å; N171-F174 PolarHBondContact O-N 2.75Å; F174-K176 VanDerWaalsContact C-N 3.32Å; F174-K176 PolarHBondContact O-N 3.14Å; F174-I177 CarbonylContact O-C 3.26Å; F174-I177 WeakPolarHBondContact O-CA 3.27Å; F174-I177 WeakPolarHBondContact O-CB 3.32Å; F174-I177 PolarHBondContact O-N 2.95Å; F174-S178 PolarHBondContact O-N 3.02Å; F174-M198 HydrophobicContact CE2-CE 4.41Å; F174-M198 HydrophobicContact CE2-SD 4.34Å; F174-M198 HydrophobicContact CZ-SD 3.96Å
175	Q	85.1	Confident	81.1	Confident	68 Å²	68	72.6 Å²	72.6	32%	0.318	36%	0.361	S	S	.	.	H	α-helix	trans	-52.7	-48	173.2	-175.2	176.5	17.4	0	0	112.3	S168 N171 I177 S178 E179	S168-Q175 WeakPolarHBondContact OG-CA 3.23Å; N171-Q175 PolarHBondContact O-N 3.27Å; Q175-I177 VanDerWaalsContact C-N 3.28Å; Q175-I177 PolarHBondContact O-N 2.97Å; Q175-S178 WeakPolarHBondContact O-CB 3.25Å; Q175-S178 PolarHBondContact O-N 3.29Å; Q175-S178 VanDerWaalsContact O-N 3.13Å; Q175-E179 HydrophobicContact CG-CG 4.42Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.17Å; Q175-E179 PolarHBondContact NE2-OE1 3.3Å; Q175-E179 WeakPolarHBondContact O-CG 3.27Å; Q175-E179 PolarHBondContact O-N 3.27Å
176	K	83.4	Confident	79.7	Confident	137 Å²	137	70.8 Å²	70.8	60%	0.596	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-34	176.8	-73.8	177.2	-178.2	-179.9	0	113.4	I172 F174 T180	I172-K176 WeakPolarHBondContact O-CG 3.23Å; I172-K176 PolarHBondContact O-N 2.99Å; I172-K176 VanDerWaalsContact O-N 3.17Å; F174-K176 VanDerWaalsContact C-N 3.32Å; F174-K176 PolarHBondContact O-N 3.14Å; K176-T180 WeakPolarHBondContact O-CB 3.4Å; K176-T180 PolarHBondContact O-N 2.96Å; K176-T180 PolarHBondContact O-OG1 3.45Å
177	I	83.5	Confident	78.1	Confident	57 Å²	57	72.6 Å²	72.6	29%	0.292	37%	0.365	S	S	.	.	H	α-helix	trans	-71.2	-41	175.6	-66.1	166.2	0	0	0	109.7	P82 L86 Q173 F174 Q175 V181 M198	P82-I177 HydrophobicContact CB-CG2 3.71Å; P82-I177 HydrophobicContact CG-CG2 4.43Å; L86-I177 HydrophobicContact CD2-CD1 4.33Å; Q173-I177 WeakPolarHBondContact O-CD1 3.49Å; Q173-I177 WeakPolarHBondContact O-CG1 3.4Å; Q173-I177 PolarHBondContact O-N 2.98Å; F174-I177 CarbonylContact O-C 3.26Å; F174-I177 WeakPolarHBondContact O-CA 3.27Å; F174-I177 WeakPolarHBondContact O-CB 3.32Å; F174-I177 PolarHBondContact O-N 2.95Å; Q175-I177 VanDerWaalsContact C-N 3.28Å; Q175-I177 PolarHBondContact O-N 2.97Å; I177-V181 WeakPolarHBondContact O-CG2 3.23Å; I177-M198 HydrophobicContact CG2-CE 4.1Å
178	S	79.9	Confident	76.3	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.014	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-41.9	179.8	-158.9	0	0	0	0	112.9	F174 Q175 S197 M198	F174-S178 PolarHBondContact O-N 3.02Å; Q175-S178 WeakPolarHBondContact O-CB 3.25Å; Q175-S178 PolarHBondContact O-N 3.29Å; Q175-S178 VanDerWaalsContact O-N 3.13Å; S178-S197 CarbonylContact O-C 3.51Å; S178-M198 PolarHBondContact O-N 2.71Å; S178-M198 WeakPolarHBondContact OG-CB 3.44Å
179	E	77.5	Confident	74.7	Confident	111 Å²	111	82.2 Å²	82.2	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-82.9	-17.4	-176.7	-68.4	171.4	-176.5	0	0	113.6	Q175	Q175-E179 HydrophobicContact CG-CG 4.42Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.17Å; Q175-E179 PolarHBondContact NE2-OE1 3.3Å; Q175-E179 WeakPolarHBondContact O-CG 3.27Å; Q175-E179 PolarHBondContact O-N 3.27Å
180	T	68	Low	72.8	Confident	61 Å²	61	85 Å²	85	37%	0.374	43%	0.429	S	S	.	.			trans	-131.1	51.8	-172.2	-41.6	0	0	0	0	112.5	K176 R182 K195	K176-T180 WeakPolarHBondContact O-CB 3.4Å; K176-T180 PolarHBondContact O-N 2.96Å; K176-T180 PolarHBondContact O-OG1 3.45Å; T180-R182 PolarHBondContact O-N 2.86Å; T180-K195 HydrophobicContact CG2-CD 4.12Å; T180-K195 HydrophobicContact CG2-CG 4.46Å
181	V	76.4	Confident	71	Confident	8 Å²	8	88.7 Å²	88.7	5%	0.048	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.2	170.8	-172	0	0	0	0	108.9	A78 I177 S196 M198 L201	A78-V181 HydrophobicContact CB-CG1 3.67Å; A78-V181 WeakPolarHBondContact O-CG1 3.37Å; I177-V181 WeakPolarHBondContact O-CG2 3.23Å; V181-S196 WeakPolarHBondContact CB-O 3.45Å; V181-S196 PolarHBondContact N-O 3.25Å; V181-S196 PolarHBondContact O-N 3.29Å; V181-S196 VanDerWaalsContact O-N 3.08Å; V181-M198 HydrophobicContact CG2-CB 4.37Å; V181-M198 HydrophobicContact CG2-CE 4.09Å; V181-L201 HydrophobicContact CB-CD1 3.72Å; V181-L201 HydrophobicContact CG1-CD1 3.44Å; V181-L201 VanDerWaalsContact CG1-CD1 3.44Å; V181-L201 HydrophobicContact CG2-CD1 4.32Å
182	R	72.5	Confident	69.4	Low	169 Å²	169	89.2 Å²	89.2	64%	0.638	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.2	179.9	-66.2	-170.3	-171.3	-170.9	2.3	110.6	T180	T180-R182 PolarHBondContact O-N 2.86Å
183	V	74.1	Confident	68.2	Low	12 Å²	12	87 Å²	87	7%	0.073	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	173.1	-174.1	0	0	0	0	109	N74 Q75 A78 S193 T194 L201	N74-V183 HydrophobicContact CB-CG1 4.17Å; Q75-V183 HydrophobicContact CG-CG1 3.92Å; A78-V183 HydrophobicContact CB-CG2 3.91Å; V183-S193 WeakPolarHBondContact O-CA 3.34Å; V183-T194 PolarHBondContact N-O 3.04Å; V183-T194 PolarHBondContact O-N 2.98Å; V183-L201 HydrophobicContact CG2-CD1 4.33Å; V183-L201 HydrophobicContact CG2-CD2 3.93Å
184	K	71.2	Confident	67.5	Low	119 Å²	119	85.2 Å²	85.2	52%	0.517	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-75.2	136.6	174	-69.2	177.6	-169.1	150.9	0	110.3	N74 E77	N74-K184 WeakPolarHBondContact CB-O 3.43Å; N74-K184 PolarHBondContact ND2-O 3.49Å; E77-K184 IonicContact OE2-NZ 3.75Å; E77-K184 PolarHBondContact OE2-NZ 3.47Å
185	G	60.3	Low	66.9	Low	23 Å²	23	92 Å²	92	24%	0.237	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-72.8	171.6	171.3	0	0	0	0	0	113.3	S192	G185-S192 PolarHBondContact N-O 3.31Å
186	P	59.2	Low	66.6	Low	61 Å²	61	90.2 Å²	90.2	40%	0.396	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-57.8	151.8	176.8	-20.7	31.6	0	0	0	112.4	D188 S189	P186-D188 PolarHBondContact O-N 3.45Å; P186-S189 PolarHBondContact O-N 3.1Å
187	K	55	Low	66.6	Low	161 Å²	161	84.8 Å²	84.8	70%	0.7	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-16.3	-171.2	-76.7	172.5	-172.8	152.5	0	116.2	E70	E70-K187 VanDerWaalsContact OE1-CD 3.24Å; E70-K187 WeakPolarHBondContact OE1-CD 3.42Å; E70-K187 VanDerWaalsContact OE1-CE 3.24Å; E70-K187 WeakPolarHBondContact OE1-CE 3.38Å; E70-K187 WeakPolarHBondContact OE1-CG 3.34Å; E70-K187 IonicContact OE1-NZ 3.29Å; E70-K187 PolarHBondContact OE1-NZ 3.38Å
188	D	51.9	Low	66.7	Low	166 Å²	166	82 Å²	82	89%	0.888	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-3	179.5	-65.2	-40.3	0	0	0	114.5	P186	P186-D188 PolarHBondContact O-N 3.45Å
189	S	52.8	Low	66.8	Low	54 Å²	54	85.3 Å²	85.3	38%	0.378	44%	0.441	S	S	.	.			trans	-97.8	105.2	176.6	170.6	0	0	0	0	110.4	P186 D191 S192	P186-S189 PolarHBondContact O-N 3.1Å; S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 3.22Å; S189-S192 WeakPolarHBondContact OG-CB 3.32Å; S189-S192 PolarHBondContact OG-OG 2.79Å
190	K	47.4	Very low	67.1	Low	205 Å²	205	84 Å²	84	89%	0.891	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.4	-174.6	-103.2	-175.7	-179.4	178.9	0	116.1
191	D	49.5	Very low	68.1	Low	166 Å²	166	81.1 Å²	81.1	89%	0.888	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164.9	63	177.3	-90.7	-41.3	0	0	0	113.1	S189	S189-D191 VanDerWaalsContact C-N 3.27Å; S189-D191 PolarHBondContact O-N 3.22Å
192	S	52.3	Low	68.7	Low	53 Å²	53	80.7 Å²	80.7	37%	0.371	42%	0.417	S	S	.	.			trans	-135.2	79.7	169.6	73.9	0	0	0	0	112.3	G185 S189	G185-S192 PolarHBondContact N-O 3.31Å; S189-S192 WeakPolarHBondContact OG-CB 3.32Å; S189-S192 PolarHBondContact OG-OG 2.79Å
193	S	60.4	Low	69.4	Low	70 Å²	70	76.1 Å²	76.1	49%	0.49	40%	0.4	S	S	.	.			trans	-86.1	113	164.2	67	0	0	0	0	109.4	V183	V183-S193 WeakPolarHBondContact O-CA 3.34Å
194	T	69.9	Low	70.2	Confident	87 Å²	87	77.5 Å²	77.5	53%	0.534	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.3	175.6	-43.1	0	0	0	0	109.2	V183	V183-T194 PolarHBondContact N-O 3.04Å; V183-T194 PolarHBondContact O-N 2.98Å
195	K	73.5	Confident	71.1	Confident	142 Å²	142	71.9 Å²	71.9	62%	0.617	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	132.3	171.7	-66.5	179.9	-179.7	-178.7	0	108.4	T180	T180-K195 HydrophobicContact CG2-CD 4.12Å; T180-K195 HydrophobicContact CG2-CG 4.46Å
196	S	80.2	Confident	72.3	Confident	30 Å²	30	72.3 Å²	72.3	21%	0.21	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	173.9	-59	0	0	0	0	109.2	V181	V181-S196 WeakPolarHBondContact CB-O 3.45Å; V181-S196 PolarHBondContact N-O 3.25Å; V181-S196 PolarHBondContact O-N 3.29Å; V181-S196 VanDerWaalsContact O-N 3.08Å
197	S	83.9	Confident	73.3	Confident	23 Å²	23	70.6 Å²	70.6	16%	0.161	37%	0.365	C	S	.	.			trans	-71.2	158.8	171.7	78.1	0	0	0	0	110	S178 E199 D200 L201	S178-S197 CarbonylContact O-C 3.51Å; S197-E199 VanDerWaalsContact C-N 3.3Å; S197-E199 PolarHBondContact OG-N 3.14Å; S197-E199 PolarHBondContact OG-OE2 2.86Å; S197-D200 WeakPolarHBondContact OG-CB 3.26Å; S197-D200 PolarHBondContact OG-N 2.76Å; S197-D200 PolarHBondContact OG-OD1 3.08Å; S197-D200 PolarHBondContact OG-OD2 2.86Å; S197-L201 WeakPolarHBondContact O-CG 3.28Å; S197-L201 PolarHBondContact O-N 2.77Å
198	M	84.6	Confident	75	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-34.1	172.9	-170.4	166.5	-64.5	0	0	111.8	L79 I105 F106 F174 I177 S178 V181 L201 L202	L79-M198 HydrophobicContact CD2-CG 3.97Å; I105-M198 HydrophobicContact CG2-SD 4.18Å; F106-M198 HydrophobicContact CE1-CE 4.33Å; F106-M198 HydrophobicContact CE1-SD 4.12Å; F106-M198 HydrophobicContact CZ-CE 3.91Å; F106-M198 HydrophobicContact CZ-SD 3.75Å; F174-M198 HydrophobicContact CE2-CE 4.41Å; F174-M198 HydrophobicContact CE2-SD 4.34Å; F174-M198 HydrophobicContact CZ-SD 3.96Å; I177-M198 HydrophobicContact CG2-CE 4.1Å; S178-M198 PolarHBondContact O-N 2.71Å; S178-M198 WeakPolarHBondContact OG-CB 3.44Å; V181-M198 HydrophobicContact CG2-CB 4.37Å; V181-M198 HydrophobicContact CG2-CE 4.09Å; M198-L201 PolarHBondContact O-N 2.8Å; M198-L202 HydrophobicContact CG-CD1 4.11Å; M198-L202 HydrophobicContact CG-CG 4.36Å; M198-L202 WeakPolarHBondContact O-CB 3.28Å; M198-L202 VanDerWaalsContact O-CG 3.28Å; M198-L202 WeakPolarHBondContact O-CG 3.29Å; M198-L202 PolarHBondContact O-N 3.28Å
199	E	83.1	Confident	76.5	Confident	71 Å²	71	56.1 Å²	56.1	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-45.3	176.4	-62.8	101.1	-172.3	0	0	111.3	L161 S197 L201 L202 Y203	L161-E199 HydrophobicContact CD2-CB 4.03Å; L161-E199 HydrophobicContact CD2-CG 3.97Å; S197-E199 VanDerWaalsContact C-N 3.3Å; S197-E199 PolarHBondContact OG-N 3.14Å; S197-E199 PolarHBondContact OG-OE2 2.86Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 2.84Å; E199-L202 PolarHBondContact O-N 2.83Å; E199-Y203 PolarHBondContact O-N 3.19Å
200	D	83.8	Confident	77.7	Confident	82 Å²	82	56.3 Å²	56.3	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-40.4	178.9	-62.7	-21.5	0	0	0	111.3	S197 Y203 K204	S197-D200 WeakPolarHBondContact OG-CB 3.26Å; S197-D200 PolarHBondContact OG-N 2.76Å; S197-D200 PolarHBondContact OG-OD1 3.08Å; S197-D200 PolarHBondContact OG-OD2 2.86Å; D200-Y203 PolarHBondContact O-N 2.75Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å
201	L	87.6	Confident	79.2	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-72.9	-36.6	-179.5	-70.6	174.4	0	0	0	112.1	Q75 A78 L79 V181 V183 S197 M198 E199 Y203 K204	Q75-L201 HydrophobicContact CB-CD2 3.83Å; Q75-L201 HydrophobicContact CG-CD2 4.02Å; A78-L201 HydrophobicContact CB-CD1 4.29Å; L79-L201 HydrophobicContact CD1-CB 3.96Å; L79-L201 HydrophobicContact CD2-CB 3.61Å; L79-L201 HydrophobicContact CD2-CD1 4.18Å; L79-L201 HydrophobicContact CG-CB 3.75Å; L79-L201 HydrophobicContact CG-CD1 4.33Å; V181-L201 HydrophobicContact CB-CD1 3.72Å; V181-L201 HydrophobicContact CG1-CD1 3.44Å; V181-L201 VanDerWaalsContact CG1-CD1 3.44Å; V181-L201 HydrophobicContact CG2-CD1 4.32Å; V183-L201 HydrophobicContact CG2-CD1 4.33Å; V183-L201 HydrophobicContact CG2-CD2 3.93Å; S197-L201 WeakPolarHBondContact O-CG 3.28Å; S197-L201 PolarHBondContact O-N 2.77Å; M198-L201 PolarHBondContact O-N 2.8Å; E199-L201 VanDerWaalsContact C-N 3.28Å; E199-L201 PolarHBondContact O-N 2.84Å; L201-Y203 PolarHBondContact O-N 3.11Å; L201-K204 WeakPolarHBondContact O-CB 3.05Å; L201-K204 PolarHBondContact O-N 3.41Å
202	L	90	Very high	80.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-23.2	175.6	-75.2	171.5	0	0	0	112.3	L79 I105 V109 F153 Y157 L161 M198 E199 P205	L79-L202 HydrophobicContact CD1-CD2 4.23Å; L79-L202 HydrophobicContact CD2-CD2 4.42Å; L79-L202 HydrophobicContact CD2-CG 4.36Å; I105-L202 HydrophobicContact CG2-CD1 4.36Å; V109-L202 HydrophobicContact CG2-CD2 4.23Å; F153-L202 VanDerWaalsContact CZ-O 3.25Å; F153-L202 WeakPolarHBondContact CZ-O 3.49Å; Y157-L202 HydrophobicContact CE2-CB 4.18Å; Y157-L202 WeakPolarHBondContact CE2-O 3.36Å; L161-L202 HydrophobicContact CD2-CD1 4.44Å; M198-L202 HydrophobicContact CG-CD1 4.11Å; M198-L202 HydrophobicContact CG-CG 4.36Å; M198-L202 WeakPolarHBondContact O-CB 3.28Å; M198-L202 VanDerWaalsContact O-CG 3.28Å; M198-L202 WeakPolarHBondContact O-CG 3.29Å; M198-L202 PolarHBondContact O-N 3.28Å; E199-L202 PolarHBondContact O-N 2.83Å; L202-P205 WeakPolarHBondContact O-CD 3.39Å
203	Y	87.2	Confident	82.1	Confident	72 Å²	72	40.7 Å²	40.7	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-75.1	-29.3	172.8	-179	-103.3	0	0	0	113.2	L12 E199 D200 L201 P205 I206 D207	L12-Y203 HydrophobicContact CD2-CE1 3.67Å; E199-Y203 PolarHBondContact O-N 3.19Å; D200-Y203 PolarHBondContact O-N 2.75Å; L201-Y203 PolarHBondContact O-N 3.11Å; Y203-P205 VanDerWaalsContact C-CD 3.43Å; Y203-P205 VanDerWaalsContact C-N 3.35Å; Y203-P205 VanDerWaalsContact O-N 3.14Å; Y203-I206 HydrophobicContact CD2-CB 4.45Å; Y203-I206 HydrophobicContact CD2-CD1 4.48Å; Y203-I206 HydrophobicContact CE2-CB 4.38Å; Y203-I206 HydrophobicContact CE2-CG2 4.43Å; Y203-I206 WeakPolarHBondContact O-CB 3.26Å; Y203-I206 PolarHBondContact O-N 3Å; Y203-D207 HydrophobicContact CD1-CB 4.19Å; Y203-D207 HydrophobicContact CE1-CB 3.78Å; Y203-D207 PolarHBondContact O-N 3.33Å
204	K	90	Very high	82.9	Confident	42 Å²	42	42.5 Å²	42.5	18%	0.183	22%	0.215	C	C	.	.	H	α-helix	trans	-53.4	-36.4	-172.8	-63.5	-61.9	-179.6	-174.3	0	115.4	Y72 D200 L201 I206 D207 R208	Y72-K204 HydrophobicContact CD2-CB 4.23Å; Y72-K204 HydrophobicContact CE2-CB 3.89Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; L201-K204 WeakPolarHBondContact O-CB 3.05Å; L201-K204 PolarHBondContact O-N 3.41Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.45Å; K204-D207 PolarHBondContact O-N 3.43Å; K204-R208 WeakPolarHBondContact O-CB 3.3Å; K204-R208 PolarHBondContact O-N 2.85Å
205	P	90.1	Very high	83.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-36.5	173	-23	33.6	0	0	0	114.8	Y72 L76 I112 Y150 F153 L202 Y203 R208 V209	Y72-P205 WeakPolarHBondContact OH-CA 3.18Å; Y72-P205 WeakPolarHBondContact OH-CB 3.45Å; L76-P205 HydrophobicContact CD2-CG 4.07Å; I112-P205 HydrophobicContact CD1-CB 4.21Å; Y150-P205 HydrophobicContact CE1-CB 3.97Å; Y150-P205 VanDerWaalsContact CE1-O 3.28Å; Y150-P205 WeakPolarHBondContact CE1-O 3.28Å; F153-P205 HydrophobicContact CD1-CB 4.07Å; F153-P205 HydrophobicContact CE1-CB 3.81Å; F153-P205 HydrophobicContact CE1-CG 3.92Å; F153-P205 HydrophobicContact CE2-CG 4.38Å; F153-P205 HydrophobicContact CZ-CB 4.25Å; F153-P205 HydrophobicContact CZ-CG 3.85Å; L202-P205 WeakPolarHBondContact O-CD 3.39Å; Y203-P205 VanDerWaalsContact C-CD 3.43Å; Y203-P205 VanDerWaalsContact C-N 3.35Å; Y203-P205 VanDerWaalsContact O-N 3.14Å; P205-R208 PolarHBondContact O-N 2.94Å; P205-V209 PolarHBondContact O-N 2.62Å
206	I	85.2	Confident	84.2	Confident	32 Å²	32	32.9 Å²	32.9	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-68.4	-45.5	178.3	-54.2	-177.9	0	0	0	109.7	F153 V154 Y157 Y203 K204 R208 V209	F153-I206 HydrophobicContact CE1-CG1 4.15Å; V154-I206 HydrophobicContact CG2-CG1 4.22Å; Y157-I206 HydrophobicContact CD1-CD1 3.71Å; Y157-I206 HydrophobicContact CD2-CD1 3.92Å; Y157-I206 HydrophobicContact CE1-CD1 3.89Å; Y157-I206 HydrophobicContact CE2-CD1 4.11Å; Y157-I206 HydrophobicContact CG-CD1 3.71Å; Y203-I206 HydrophobicContact CD2-CB 4.45Å; Y203-I206 HydrophobicContact CD2-CD1 4.48Å; Y203-I206 HydrophobicContact CE2-CB 4.38Å; Y203-I206 HydrophobicContact CE2-CG2 4.43Å; Y203-I206 WeakPolarHBondContact O-CB 3.26Å; Y203-I206 PolarHBondContact O-N 3Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.45Å; I206-R208 VanDerWaalsContact C-N 3.34Å; I206-R208 PolarHBondContact O-N 2.89Å; I206-V209 WeakPolarHBondContact O-CG1 3.5Å; I206-V209 PolarHBondContact O-N 3.1Å
207	D	80.9	Confident	84.3	Confident	26 Å²	26	35.4 Å²	35.4	14%	0.139	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-37.7	174.2	-176.8	38.5	0	0	0	112.3	Y203 K204 V209 T210 R211	Y203-D207 HydrophobicContact CD1-CB 4.19Å; Y203-D207 HydrophobicContact CE1-CB 3.78Å; Y203-D207 PolarHBondContact O-N 3.33Å; K204-D207 PolarHBondContact O-N 3.43Å; D207-V209 PolarHBondContact O-N 3.04Å; D207-T210 PolarHBondContact O-N 3.05Å; D207-T210 PolarHBondContact O-OG1 3.27Å; D207-R211 VanDerWaalsContact CG-NE 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.29Å; D207-R211 PolarHBondContact O-N 3.09Å; D207-R211 VanDerWaalsContact O-N 3.13Å; D207-R211 IonicContact OD1-CZ 2.67Å; D207-R211 IonicContact OD1-NE 3.58Å; D207-R211 PolarHBondContact OD1-NE 3.32Å; D207-R211 IonicContact OD1-NH2 2.99Å; D207-R211 IonicContact OD2-CZ 3.19Å; D207-R211 IonicContact OD2-NE 2.62Å; D207-R211 PolarHBondContact OD2-NE 3.48Å; D207-R211 VanDerWaalsContact OD2-NE 3.08Å; D207-R211 IonicContact OD2-NH2 3.45Å; D207-R211 PolarHBondContact OD2-NH2 3.02Å
208	R	90.1	Very high	84.2	Confident	15 Å²	15	37.8 Å²	37.8	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-40.2	-178.9	-171	69.3	-179.6	159.2	1.1	112.5	S68 E69 Y72 K204 P205 I206 R211 S212	S68-R208 PolarHBondContact OG-NH1 3.32Å; S68-R208 PolarHBondContact OG-NH2 2.83Å; S68-R208 VanDerWaalsContact OG-NH2 3.16Å; E69-R208 IonicContact OE2-CZ 3.64Å; E69-R208 IonicContact OE2-NE 3.35Å; E69-R208 PolarHBondContact OE2-NE 3.44Å; E69-R208 IonicContact OE2-NH2 2.76Å; E69-R208 PolarHBondContact OE2-NH2 3.36Å; Y72-R208 HydrophobicContact CD1-CB 4.31Å; Y72-R208 HydrophobicContact CD1-CG 3.61Å; Y72-R208 HydrophobicContact CD2-CB 4.15Å; Y72-R208 HydrophobicContact CD2-CG 4.25Å; Y72-R208 HydrophobicContact CE1-CB 3.9Å; Y72-R208 HydrophobicContact CE1-CG 3.47Å; Y72-R208 VanDerWaalsContact CE1-CG 3.47Å; Y72-R208 HydrophobicContact CE2-CB 3.75Å; Y72-R208 HydrophobicContact CE2-CG 4.15Å; Y72-R208 HydrophobicContact CG-CB 4.42Å; Y72-R208 HydrophobicContact CG-CG 4Å; K204-R208 WeakPolarHBondContact O-CB 3.3Å; K204-R208 PolarHBondContact O-N 2.85Å; P205-R208 PolarHBondContact O-N 2.94Å; I206-R208 VanDerWaalsContact C-N 3.34Å; I206-R208 PolarHBondContact O-N 2.89Å; R208-R211 PolarHBondContact O-N 2.88Å; R208-S212 WeakPolarHBondContact O-CB 3.4Å; R208-S212 PolarHBondContact O-N 3.32Å; R208-S212 PolarHBondContact O-OG 3.02Å
209	V	84.1	Confident	84.3	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-32.7	-176.6	66.2	0	0	0	0	112.4	L147 Y150 P205 I206 D207 T213 F243 L244	L147-V209 HydrophobicContact CD2-CG2 3.63Å; Y150-V209 HydrophobicContact CD1-CB 4.09Å; Y150-V209 HydrophobicContact CD1-CG1 4.33Å; Y150-V209 HydrophobicContact CE1-CB 4.18Å; P205-V209 PolarHBondContact O-N 2.62Å; I206-V209 WeakPolarHBondContact O-CG1 3.5Å; I206-V209 PolarHBondContact O-N 3.1Å; D207-V209 PolarHBondContact O-N 3.04Å; V209-T213 PolarHBondContact O-N 2.65Å; V209-T213 PolarHBondContact O-OG1 3.26Å; V209-F243 HydrophobicContact CG1-CE1 4.36Å; V209-F243 HydrophobicContact CG2-CD1 3.85Å; V209-F243 HydrophobicContact CG2-CE1 3.72Å; V209-L244 HydrophobicContact CG1-CD2 4.13Å; V209-L244 HydrophobicContact CG2-CD2 4.28Å
210	T	78.2	Confident	84.5	Confident	58 Å²	58	35.6 Å²	35.6	36%	0.356	18%	0.177	S	C	.	.	H	α-helix	trans	-67.6	-48.9	172.9	60.4	0	0	0	0	110.6	D207 S212 T213 L214 L244	D207-T210 PolarHBondContact O-N 3.05Å; D207-T210 PolarHBondContact O-OG1 3.27Å; T210-S212 PolarHBondContact O-N 3.21Å; T210-T213 WeakPolarHBondContact O-CB 3.2Å; T210-T213 PolarHBondContact O-N 2.89Å; T210-T213 VanDerWaalsContact O-N 3.14Å; T210-L214 PolarHBondContact O-N 3.31Å; T210-L244 HydrophobicContact CG2-CD2 3.95Å
211	R	77.9	Confident	84.7	Confident	78 Å²	78	39.4 Å²	39.4	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-62.9	-40.6	178.9	-67.5	-175.8	-170.3	-137	10.5	113.2	E19 D207 R208 T213 L214 V215	E19-R211 IonicContact OE2-NH1 3.16Å; D207-R211 VanDerWaalsContact CG-NE 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.29Å; D207-R211 PolarHBondContact O-N 3.09Å; D207-R211 VanDerWaalsContact O-N 3.13Å; D207-R211 IonicContact OD1-CZ 2.67Å; D207-R211 IonicContact OD1-NE 3.58Å; D207-R211 PolarHBondContact OD1-NE 3.32Å; D207-R211 IonicContact OD1-NH2 2.99Å; D207-R211 IonicContact OD2-CZ 3.19Å; D207-R211 IonicContact OD2-NE 2.62Å; D207-R211 PolarHBondContact OD2-NE 3.48Å; D207-R211 VanDerWaalsContact OD2-NE 3.08Å; D207-R211 IonicContact OD2-NH2 3.45Å; D207-R211 PolarHBondContact OD2-NH2 3.02Å; R208-R211 PolarHBondContact O-N 2.88Å; R211-T213 PolarHBondContact O-N 2.94Å; R211-L214 PolarHBondContact O-N 3.37Å; R211-L214 VanDerWaalsContact O-N 3.12Å; R211-V215 WeakPolarHBondContact O-CG2 3.38Å; R211-V215 PolarHBondContact O-N 3.01Å
212	S	82.3	Confident	84.7	Confident	11 Å²	11	41.3 Å²	41.3	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-28.8	177.2	-59	0	0	0	0	112.2	R208 T210 L216	R208-S212 WeakPolarHBondContact O-CB 3.4Å; R208-S212 PolarHBondContact O-N 3.32Å; R208-S212 PolarHBondContact O-OG 3.02Å; T210-S212 PolarHBondContact O-N 3.21Å; S212-L216 WeakPolarHBondContact O-CG 3.43Å; S212-L216 PolarHBondContact O-N 3.46Å
213	T	81.1	Confident	84.5	Confident	6 Å²	6	41.7 Å²	41.7	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-74.3	-38.2	175.7	-53.7	0	0	0	0	112	V209 T210 R211 L216 H217 L237 S240 Q241 L244	V209-T213 PolarHBondContact O-N 2.65Å; V209-T213 PolarHBondContact O-OG1 3.26Å; T210-T213 WeakPolarHBondContact O-CB 3.2Å; T210-T213 PolarHBondContact O-N 2.89Å; T210-T213 VanDerWaalsContact O-N 3.14Å; R211-T213 PolarHBondContact O-N 2.94Å; T213-L216 WeakPolarHBondContact O-CB 3.18Å; T213-L216 PolarHBondContact O-N 3.1Å; T213-H217 PolarHBondContact O-CD2 3Å; T213-H217 PolarHBondContact O-N 2.86Å; T213-L237 HydrophobicContact CG2-CD1 3.79Å; T213-S240 WeakPolarHBondContact OG1-CB 3.29Å; T213-Q241 HydrophobicContact CG2-CG 4.02Å; T213-L244 HydrophobicContact CG2-CD1 3.89Å; T213-L244 WeakPolarHBondContact OG1-CD1 3.09Å
214	L	77.4	Confident	84.4	Confident	109 Å²	109	39.6 Å²	39.6	57%	0.571	20%	0.196	S	C	*	.	H	α-helix	trans	-64.7	-40.7	173.7	-63.5	177.7	0	0	0	111.6	T210 R211 L216 H217 D218	T210-L214 PolarHBondContact O-N 3.31Å; R211-L214 PolarHBondContact O-N 3.37Å; R211-L214 VanDerWaalsContact O-N 3.12Å; L214-L216 VanDerWaalsContact C-N 3.25Å; L214-L216 PolarHBondContact O-N 3.32Å; L214-H217 WeakPolarHBondContact O-CA 3.41Å; L214-H217 VanDerWaalsContact O-CB 3.29Å; L214-H217 WeakPolarHBondContact O-CB 3.4Å; L214-H217 PolarHBondContact O-N 2.87Å; L214-D218 PolarHBondContact O-N 3.33Å; L214-D218 VanDerWaalsContact O-N 3.08Å
215	V	85.9	Confident	84.2	Confident	23 Å²	23	46 Å²	46	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-36.7	175.6	172.2	0	0	0	0	111.5	V61 F65 R211 H217 D218 L219	V61-V215 HydrophobicContact CG1-CG1 4.2Å; F65-V215 HydrophobicContact CB-CG1 4.1Å; F65-V215 HydrophobicContact CD1-CG1 4.43Å; F65-V215 HydrophobicContact CD2-CB 4.12Å; F65-V215 HydrophobicContact CD2-CG1 3.84Å; F65-V215 HydrophobicContact CD2-CG2 3.65Å; F65-V215 HydrophobicContact CE2-CB 4.33Å; F65-V215 HydrophobicContact CE2-CG1 4.31Å; F65-V215 HydrophobicContact CE2-CG2 4.08Å; F65-V215 HydrophobicContact CG-CG1 3.88Å; F65-V215 HydrophobicContact CG-CG2 4.43Å; R211-V215 WeakPolarHBondContact O-CG2 3.38Å; R211-V215 PolarHBondContact O-N 3.01Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.44Å; V215-D218 PolarHBondContact O-N 3.32Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.15Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 WeakPolarHBondContact O-CG 3.4Å; V215-L219 PolarHBondContact O-N 3.26Å
216	L	84.7	Confident	84	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-35.3	174	-75.1	167	0	0	0	112.7	F140 S212 T213 L214 L220 L233 A236 L237	F140-L216 HydrophobicContact CB-CD2 3.9Å; F140-L216 HydrophobicContact CD1-CD2 3.62Å; F140-L216 HydrophobicContact CD1-CG 4.15Å; F140-L216 HydrophobicContact CE1-CD2 4.34Å; F140-L216 HydrophobicContact CG-CD2 3.86Å; S212-L216 WeakPolarHBondContact O-CG 3.43Å; S212-L216 PolarHBondContact O-N 3.46Å; T213-L216 WeakPolarHBondContact O-CB 3.18Å; T213-L216 PolarHBondContact O-N 3.1Å; L214-L216 VanDerWaalsContact C-N 3.25Å; L214-L216 PolarHBondContact O-N 3.32Å; L216-L220 WeakPolarHBondContact O-CB 3.17Å; L216-L220 WeakPolarHBondContact O-CG 2.95Å; L216-L220 PolarHBondContact O-N 3.27Å; L216-L220 VanDerWaalsContact O-N 3.1Å; L216-L233 HydrophobicContact CD2-CD2 3.83Å; L216-A236 HydrophobicContact CD1-CB 4.23Å; L216-A236 HydrophobicContact CD2-CB 4.09Å; L216-L237 HydrophobicContact CB-CB 4.11Å; L216-L237 HydrophobicContact CB-CD1 3.83Å; L216-L237 HydrophobicContact CB-CG 4.49Å
217	H	81.7	Confident	84.1	Confident	82 Å²	82	52.2 Å²	52.2	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-46.8	171.8	-81.2	-78	0	0	0	111.8	T213 L214 V215 L220 K221 Q241	T213-H217 PolarHBondContact O-CD2 3Å; T213-H217 PolarHBondContact O-N 2.86Å; L214-H217 WeakPolarHBondContact O-CA 3.41Å; L214-H217 VanDerWaalsContact O-CB 3.29Å; L214-H217 WeakPolarHBondContact O-CB 3.4Å; L214-H217 PolarHBondContact O-N 2.87Å; V215-H217 VanDerWaalsContact C-N 3.32Å; V215-H217 PolarHBondContact O-N 3.44Å; H217-L220 PolarHBondContact O-N 3.3Å; H217-K221 PolarHBondContact O-N 3.19Å; H217-Q241 PolarHBondContact CE1-NE2 2.84Å; H217-Q241 PolarHBondContact NE2-NE2 2.9Å
218	D	81.4	Confident	84.4	Confident	73 Å²	73	55 Å²	55	39%	0.39	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-40.3	179.9	-71.1	-25.8	0	0	0	112	V61 L214 V215 L220 K221 H222	V61-D218 HydrophobicContact CG1-CB 4.07Å; V61-D218 HydrophobicContact CG2-CB 4.41Å; L214-D218 PolarHBondContact O-N 3.33Å; L214-D218 VanDerWaalsContact O-N 3.08Å; V215-D218 PolarHBondContact O-N 3.32Å; D218-L220 PolarHBondContact O-N 3.28Å; D218-K221 WeakPolarHBondContact O-CB 3.49Å; D218-K221 PolarHBondContact O-N 2.67Å; D218-H222 PolarHBondContact O-CD2 3.29Å; D218-H222 PolarHBondContact O-N 2.99Å
219	L	87.6	Confident	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-40.8	175.3	-70.2	174.1	0	0	0	111.9	K58 V61 L62 F140 V215 H222 T223 L233	K58-L219 HydrophobicContact CG-CD2 4.19Å; V61-L219 HydrophobicContact CB-CD2 4.04Å; V61-L219 HydrophobicContact CG1-CD2 3.64Å; V61-L219 HydrophobicContact CG1-CG 3.96Å; L62-L219 HydrophobicContact CD1-CD2 4.36Å; L62-L219 HydrophobicContact CD2-CD1 3.82Å; L62-L219 HydrophobicContact CD2-CD2 3.6Å; L62-L219 HydrophobicContact CD2-CG 4.38Å; L62-L219 HydrophobicContact CG-CD2 3.57Å; F140-L219 HydrophobicContact CD2-CD1 4.43Å; F140-L219 HydrophobicContact CE1-CD1 4.06Å; F140-L219 HydrophobicContact CE2-CD1 3.75Å; F140-L219 HydrophobicContact CZ-CD1 3.53Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.15Å; V215-L219 WeakPolarHBondContact O-CB 3.43Å; V215-L219 WeakPolarHBondContact O-CG 3.4Å; V215-L219 PolarHBondContact O-N 3.26Å; L219-H222 PolarHBondContact O-N 2.62Å; L219-T223 VanDerWaalsContact O-CB 3.27Å; L219-T223 WeakPolarHBondContact O-CB 3.48Å; L219-T223 PolarHBondContact O-N 3.12Å; L219-T223 PolarHBondContact O-OG1 3.14Å; L219-L233 HydrophobicContact CB-CD1 4.05Å; L219-L233 HydrophobicContact CD1-CD2 4.22Å
220	L	86.8	Confident	84.8	Confident	26 Å²	26	55.7 Å²	55.7	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-36.9	176.7	-80.3	171.2	0	0	0	112.7	L216 H217 D218 H222 T223 F230 L233 Q234 L237	L216-L220 WeakPolarHBondContact O-CB 3.17Å; L216-L220 WeakPolarHBondContact O-CG 2.95Å; L216-L220 PolarHBondContact O-N 3.27Å; L216-L220 VanDerWaalsContact O-N 3.1Å; H217-L220 PolarHBondContact O-N 3.3Å; D218-L220 PolarHBondContact O-N 3.28Å; L220-H222 PolarHBondContact O-N 3.46Å; L220-T223 PolarHBondContact O-N 2.92Å; L220-F230 HydrophobicContact CD2-CD2 3.94Å; L220-F230 HydrophobicContact CD2-CE2 3.95Å; L220-F230 HydrophobicContact CD2-CG 4.33Å; L220-F230 HydrophobicContact CD2-CZ 4.32Å; L220-L233 HydrophobicContact CD2-CB 3.67Å; L220-L233 HydrophobicContact CG-CB 3.95Å; L220-Q234 HydrophobicContact CD1-CB 4.4Å; L220-Q234 HydrophobicContact CD2-CB 4.24Å; L220-L237 HydrophobicContact CD1-CB 4.11Å; L220-L237 HydrophobicContact CD1-CD2 3.49Å; L220-L237 VanDerWaalsContact CD1-CD2 3.49Å; L220-L237 HydrophobicContact CD1-CG 4.43Å
221	K	88.8	Confident	85.4	Confident	162 Å²	162	56.5 Å²	56.5	70%	0.704	29%	0.285	S	S	*	.	H	α-helix	trans	-58.7	-32.7	176	-175.7	-179.3	179.2	-178.4	0	112.3	H217 D218	H217-K221 PolarHBondContact O-N 3.19Å; D218-K221 WeakPolarHBondContact O-CB 3.49Å; D218-K221 PolarHBondContact O-N 2.67Å
222	H	86.5	Confident	86.1	Confident	41 Å²	41	55.2 Å²	55.2	19%	0.19	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	2.1	-176.4	-63.4	-57.8	0	0	0	114.1	G54 M57 K58 D218 L219 L220	G54-H222 CarbonylContact C-O 3.54Å; M57-H222 HydrophobicContact CB-CB 4.3Å; K58-H222 HydrophobicContact CB-CB 4.22Å; D218-H222 PolarHBondContact O-CD2 3.29Å; D218-H222 PolarHBondContact O-N 2.99Å; L219-H222 PolarHBondContact O-N 2.62Å; L220-H222 PolarHBondContact O-N 3.46Å
223	T	86.8	Confident	86.6	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.043	28%	0.28	C	S	.	.	S	Bend	trans	-102	120.9	176.3	-60.6	0	0	0	0	109.9	K58 L219 L220 H227 D229 F230 L233	K58-T223 WeakPolarHBondContact CD-OG1 3.34Å; K58-T223 WeakPolarHBondContact CE-OG1 3.39Å; L219-T223 VanDerWaalsContact O-CB 3.27Å; L219-T223 WeakPolarHBondContact O-CB 3.48Å; L219-T223 PolarHBondContact O-N 3.12Å; L219-T223 PolarHBondContact O-OG1 3.14Å; L220-T223 PolarHBondContact O-N 2.92Å; T223-H227 HydrophobicContact CG2-CB 3.74Å; T223-D229 HydrophobicContact CG2-CB 4.26Å; T223-F230 HydrophobicContact CG2-CB 4.09Å; T223-F230 HydrophobicContact CG2-CD2 4.25Å; T223-F230 VanDerWaalsContact O-CD2 3.23Å; T223-F230 WeakPolarHBondContact O-CD2 3.38Å; T223-L233 HydrophobicContact CG2-CD1 4.49Å
224	P	85.2	Confident	87	Confident	28 Å²	28	59.6 Å²	59.6	18%	0.182	30%	0.303	C	S	.	.			trans	-59.1	147.1	175.2	-25.3	34.8	0	0	0	112.8	V51 D226 H227 F230	V51-P224 HydrophobicContact CG1-CG 4.08Å; P224-D226 WeakPolarHBondContact CB-OD1 3.36Å; P224-D226 PolarHBondContact O-N 3.23Å; P224-H227 HydrophobicContact CB-CB 4.32Å; P224-H227 WeakPolarHBondContact O-CB 3.16Å; P224-H227 PolarHBondContact O-N 3.41Å; P224-F230 WeakPolarHBondContact O-CB 3.27Å
225	K	86.2	Confident	87.5	Confident	177 Å²	177	56 Å²	56	77%	0.77	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.5	-177	-68.9	-175.6	177.9	179.4	0	114	F230	K225-F230 HydrophobicContact CG-CD2 4.43Å; K225-F230 HydrophobicContact CG-CE1 4.15Å; K225-F230 HydrophobicContact CG-CE2 3.96Å; K225-F230 HydrophobicContact CG-CZ 3.82Å
226	D	84.9	Confident	87.7	Confident	145 Å²	145	54.9 Å²	54.9	78%	0.775	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	176.7	57.9	-36.1	0	0	0	113.2	P224	P224-D226 WeakPolarHBondContact CB-OD1 3.36Å; P224-D226 PolarHBondContact O-N 3.23Å
227	H	87.2	Confident	87.7	Confident	18 Å²	18	55.3 Å²	55.3	8%	0.083	28%	0.28	C	S	.	.	S	Bend	trans	-74.9	138.3	177.8	-173	-78.1	0	0	0	111.2	K58 T223 P224 D229 F230	K58-H227 PolarHBondContact NZ-CE1 2.89Å; T223-H227 HydrophobicContact CG2-CB 3.74Å; P224-H227 HydrophobicContact CB-CB 4.32Å; P224-H227 WeakPolarHBondContact O-CB 3.16Å; P224-H227 PolarHBondContact O-N 3.41Å; H227-D229 IonicContact CE1-OD2 3.93Å; H227-D229 PolarHBondContact CE1-OD2 3.39Å; H227-D229 WeakPolarHBondContact ND1-CB 3.23Å; H227-D229 PolarHBondContact ND1-N 3.49Å; H227-D229 PolarHBondContact O-N 3.44Å; H227-D229 VanDerWaalsContact O-N 3.12Å; H227-F230 WeakPolarHBondContact O-CB 3.4Å; H227-F230 PolarHBondContact O-N 2.75Å
228	P	88.6	Confident	87.9	Confident	83 Å²	83	58.3 Å²	58.3	54%	0.539	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.5	-176.7	-25.2	32.9	0	0	0	115.5	T135 P231	T135-P228 HydrophobicContact CG2-CB 3.79Å; T135-P228 HydrophobicContact CG2-CG 4.23Å; P228-P231 WeakPolarHBondContact O-CD 3.34Å
229	D	91.6	Very high	88	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.1	-24.3	174.5	-77.6	-19.7	0	0	0	114.7	K58 T135 V136 G137 T223 H227 L232 L233	K58-D229 IonicContact NZ-OD2 3.21Å; K58-D229 PolarHBondContact NZ-OD2 3.26Å; T135-D229 VanDerWaalsContact C-OD1 3.28Å; T135-D229 WeakPolarHBondContact CA-OD1 3.43Å; T135-D229 WeakPolarHBondContact CA-OD2 3.3Å; T135-D229 WeakPolarHBondContact CB-OD1 3.33Å; V136-D229 VanDerWaalsContact N-CG 3.32Å; V136-D229 PolarHBondContact N-OD1 3.27Å; V136-D229 PolarHBondContact N-OD2 3.09Å; G137-D229 VanDerWaalsContact N-CG 3.35Å; G137-D229 PolarHBondContact N-OD1 3.47Å; T223-D229 HydrophobicContact CG2-CB 4.26Å; H227-D229 IonicContact CE1-OD2 3.93Å; H227-D229 PolarHBondContact CE1-OD2 3.39Å; H227-D229 WeakPolarHBondContact ND1-CB 3.23Å; H227-D229 PolarHBondContact ND1-N 3.49Å; H227-D229 PolarHBondContact O-N 3.44Å; H227-D229 VanDerWaalsContact O-N 3.12Å; D229-L232 PolarHBondContact O-N 2.87Å; D229-L232 VanDerWaalsContact O-N 3.11Å; D229-L233 HydrophobicContact CB-CD1 3.89Å; D229-L233 HydrophobicContact CB-CG 4.19Å; D229-L233 WeakPolarHBondContact O-CB 3.34Å; D229-L233 WeakPolarHBondContact O-CG 3.5Å; D229-L233 PolarHBondContact O-N 3.39Å
230	F	90.6	Very high	87.8	Confident	39 Å²	39	58 Å²	58	17%	0.171	29%	0.286	C	S	.	.	H	α-helix	trans	-54.9	-52.5	-173	-168.3	-87.2	0	0	0	113.1	L220 T223 P224 K225 H227 L232 Q234	L220-F230 HydrophobicContact CD2-CD2 3.94Å; L220-F230 HydrophobicContact CD2-CE2 3.95Å; L220-F230 HydrophobicContact CD2-CG 4.33Å; L220-F230 HydrophobicContact CD2-CZ 4.32Å; T223-F230 HydrophobicContact CG2-CB 4.09Å; T223-F230 HydrophobicContact CG2-CD2 4.25Å; T223-F230 VanDerWaalsContact O-CD2 3.23Å; T223-F230 WeakPolarHBondContact O-CD2 3.38Å; P224-F230 WeakPolarHBondContact O-CB 3.27Å; K225-F230 HydrophobicContact CG-CD2 4.43Å; K225-F230 HydrophobicContact CG-CE1 4.15Å; K225-F230 HydrophobicContact CG-CE2 3.96Å; K225-F230 HydrophobicContact CG-CZ 3.82Å; H227-F230 WeakPolarHBondContact O-CB 3.4Å; H227-F230 PolarHBondContact O-N 2.75Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 3.24Å; F230-Q234 VanDerWaalsContact O-CB 3.3Å; F230-Q234 WeakPolarHBondContact O-CB 3.42Å; F230-Q234 PolarHBondContact O-N 3.32Å
231	P	90.1	Very high	87.4	Confident	75 Å²	75	60.6 Å²	60.6	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-65.5	-32.4	177.5	25.6	-35.5	0	0	0	113.3	P228 D235	P228-P231 WeakPolarHBondContact O-CD 3.34Å; P231-D235 WeakPolarHBondContact O-CB 3.47Å; P231-D235 PolarHBondContact O-N 3Å
232	L	92.9	Very high	86.8	Confident	50 Å²	50	57.5 Å²	57.5	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-71.5	-43.4	-179.4	-59.8	177.5	0	0	0	111.7	H138 D229 F230 D235 A236	H138-L232 HydrophobicContact CB-CD1 4.24Å; D229-L232 PolarHBondContact O-N 2.87Å; D229-L232 VanDerWaalsContact O-N 3.11Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 3.24Å; L232-D235 PolarHBondContact O-N 3.36Å; L232-A236 WeakPolarHBondContact O-CB 3.3Å; L232-A236 PolarHBondContact O-N 3.16Å
233	L	91.7	Very high	86.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-37	175.6	-68	172.8	0	0	0	111.3	F140 L216 L219 L220 T223 D229 A236 L237	F140-L233 HydrophobicContact CB-CD2 4.23Å; F140-L233 HydrophobicContact CD2-CD2 3.94Å; F140-L233 HydrophobicContact CG-CD2 4.16Å; L216-L233 HydrophobicContact CD2-CD2 3.83Å; L219-L233 HydrophobicContact CB-CD1 4.05Å; L219-L233 HydrophobicContact CD1-CD2 4.22Å; L220-L233 HydrophobicContact CD2-CB 3.67Å; L220-L233 HydrophobicContact CG-CB 3.95Å; T223-L233 HydrophobicContact CG2-CD1 4.49Å; D229-L233 HydrophobicContact CB-CD1 3.89Å; D229-L233 HydrophobicContact CB-CG 4.19Å; D229-L233 WeakPolarHBondContact O-CB 3.34Å; D229-L233 WeakPolarHBondContact O-CG 3.5Å; D229-L233 PolarHBondContact O-N 3.39Å; L233-A236 PolarHBondContact O-N 3.4Å; L233-L237 VanDerWaalsContact O-CB 3.3Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 PolarHBondContact O-N 2.94Å
234	Q	90.1	Very high	86	Confident	109 Å²	109	58 Å²	58	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.6	-172.1	175.7	29.6	0	0	111.6	L220 F230 L237 R238	L220-Q234 HydrophobicContact CD1-CB 4.4Å; L220-Q234 HydrophobicContact CD2-CB 4.24Å; F230-Q234 VanDerWaalsContact O-CB 3.3Å; F230-Q234 WeakPolarHBondContact O-CB 3.42Å; F230-Q234 PolarHBondContact O-N 3.32Å; Q234-L237 PolarHBondContact O-N 3.18Å; Q234-R238 WeakPolarHBondContact O-CB 3.22Å; Q234-R238 PolarHBondContact O-N 3.37Å
235	D	89.1	Confident	85.1	Confident	33 Å²	33	59.3 Å²	59.3	18%	0.176	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-46.4	175.3	-172	46	0	0	0	111.9	Q141 P231 L232 L237 R238 I239	Q141-D235 PolarHBondContact NE2-OD2 3.31Å; P231-D235 WeakPolarHBondContact O-CB 3.47Å; P231-D235 PolarHBondContact O-N 3Å; L232-D235 PolarHBondContact O-N 3.36Å; D235-L237 VanDerWaalsContact C-N 3.32Å; D235-L237 PolarHBondContact O-N 3.1Å; D235-R238 WeakPolarHBondContact O-CB 3.43Å; D235-R238 PolarHBondContact O-N 2.93Å; D235-R238 IonicContact OD1-CZ 3.97Å; D235-R238 IonicContact OD1-NE 3.51Å; D235-R238 PolarHBondContact OD1-NE 3.19Å; D235-R238 IonicContact OD1-NH2 2.64Å; D235-R238 PolarHBondContact OD1-NH2 2.92Å; D235-I239 WeakPolarHBondContact O-CG1 3.42Å; D235-I239 PolarHBondContact O-N 2.89Å
236	A	88.4	Confident	84.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-43.6	175.1	0	0	0	0	0	111.7	F140 A144 L216 L232 L233 I239 S240	F140-A236 HydrophobicContact CB-CB 4.11Å; A144-A236 HydrophobicContact CB-CB 4.32Å; L216-A236 HydrophobicContact CD1-CB 4.23Å; L216-A236 HydrophobicContact CD2-CB 4.09Å; L232-A236 WeakPolarHBondContact O-CB 3.3Å; L232-A236 PolarHBondContact O-N 3.16Å; L233-A236 PolarHBondContact O-N 3.4Å; A236-I239 PolarHBondContact O-N 3.44Å; A236-S240 WeakPolarHBondContact O-CB 3.47Å; A236-S240 PolarHBondContact O-N 3.39Å; A236-S240 PolarHBondContact O-OG 3.19Å; A236-S240 VanDerWaalsContact O-OG 3.06Å
237	L	85.6	Confident	83.2	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-46.3	176.8	178.6	61	0	0	0	111.5	T213 L216 L220 L233 Q234 D235 I239 S240 Q241	T213-L237 HydrophobicContact CG2-CD1 3.79Å; L216-L237 HydrophobicContact CB-CB 4.11Å; L216-L237 HydrophobicContact CB-CD1 3.83Å; L216-L237 HydrophobicContact CB-CG 4.49Å; L220-L237 HydrophobicContact CD1-CB 4.11Å; L220-L237 HydrophobicContact CD1-CD2 3.49Å; L220-L237 VanDerWaalsContact CD1-CD2 3.49Å; L220-L237 HydrophobicContact CD1-CG 4.43Å; L233-L237 VanDerWaalsContact O-CB 3.3Å; L233-L237 WeakPolarHBondContact O-CB 3.38Å; L233-L237 PolarHBondContact O-N 2.94Å; Q234-L237 PolarHBondContact O-N 3.18Å; D235-L237 VanDerWaalsContact C-N 3.32Å; D235-L237 PolarHBondContact O-N 3.1Å; L237-I239 VanDerWaalsContact C-N 3.33Å; L237-I239 PolarHBondContact O-N 3.47Å; L237-S240 PolarHBondContact O-N 3.35Å; L237-Q241 HydrophobicContact CD1-CG 3.88Å; L237-Q241 HydrophobicContact CG-CG 4.22Å; L237-Q241 WeakPolarHBondContact O-CB 3.21Å; L237-Q241 VanDerWaalsContact O-CG 3.31Å; L237-Q241 WeakPolarHBondContact O-CG 3.25Å; L237-Q241 PolarHBondContact O-N 2.85Å
238	R	86.9	Confident	81.6	Confident	145 Å²	145	51 Å²	51	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-45.6	178	176.8	179.5	65.4	166.7	2.2	111.7	Q234 D235 N242	Q234-R238 WeakPolarHBondContact O-CB 3.22Å; Q234-R238 PolarHBondContact O-N 3.37Å; D235-R238 WeakPolarHBondContact O-CB 3.43Å; D235-R238 PolarHBondContact O-N 2.93Å; D235-R238 IonicContact OD1-CZ 3.97Å; D235-R238 IonicContact OD1-NE 3.51Å; D235-R238 PolarHBondContact OD1-NE 3.19Å; D235-R238 IonicContact OD1-NH2 2.64Å; D235-R238 PolarHBondContact OD1-NH2 2.92Å; R238-N242 WeakPolarHBondContact O-CB 3.49Å; R238-N242 PolarHBondContact O-N 3.41Å; R238-N242 PolarHBondContact O-ND2 2.99Å
239	I	81.7	Confident	79.6	Confident	58 Å²	58	51 Å²	51	30%	0.297	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-46.6	179.1	-64.7	166	0	0	0	110.3	A144 L147 D235 A236 L237 N242 F243	A144-I239 HydrophobicContact CB-CB 4.17Å; A144-I239 HydrophobicContact CB-CG2 4.01Å; L147-I239 HydrophobicContact CD1-CG2 4.19Å; D235-I239 WeakPolarHBondContact O-CG1 3.42Å; D235-I239 PolarHBondContact O-N 2.89Å; A236-I239 PolarHBondContact O-N 3.44Å; L237-I239 VanDerWaalsContact C-N 3.33Å; L237-I239 PolarHBondContact O-N 3.47Å; I239-N242 PolarHBondContact O-N 3.44Å; I239-F243 PolarHBondContact O-N 2.91Å
240	S	83.3	Confident	77.4	Confident	8 Å²	8	57 Å²	57	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-40.1	179.1	-60.6	0	0	0	0	113.1	T213 A236 L237 F243 L244	T213-S240 WeakPolarHBondContact OG1-CB 3.29Å; A236-S240 WeakPolarHBondContact O-CB 3.47Å; A236-S240 PolarHBondContact O-N 3.39Å; A236-S240 PolarHBondContact O-OG 3.19Å; A236-S240 VanDerWaalsContact O-OG 3.06Å; L237-S240 PolarHBondContact O-N 3.35Å; S240-F243 PolarHBondContact O-N 2.93Å; S240-L244 WeakPolarHBondContact O-CG 3.37Å; S240-L244 PolarHBondContact O-N 3.39Å
241	Q	78.4	Confident	75.2	Confident	80 Å²	80	60.3 Å²	60.3	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-43.4	174.7	-76.5	177.7	-22	0	0	112.1	T213 H217 L237 F243 L244 S245	T213-Q241 HydrophobicContact CG2-CG 4.02Å; H217-Q241 PolarHBondContact CE1-NE2 2.84Å; H217-Q241 PolarHBondContact NE2-NE2 2.9Å; L237-Q241 HydrophobicContact CD1-CG 3.88Å; L237-Q241 HydrophobicContact CG-CG 4.22Å; L237-Q241 WeakPolarHBondContact O-CB 3.21Å; L237-Q241 VanDerWaalsContact O-CG 3.31Å; L237-Q241 WeakPolarHBondContact O-CG 3.25Å; L237-Q241 PolarHBondContact O-N 2.85Å; Q241-F243 VanDerWaalsContact C-N 3.3Å; Q241-F243 PolarHBondContact O-N 3.07Å; Q241-L244 PolarHBondContact O-N 3.28Å; Q241-S245 WeakPolarHBondContact O-CB 3.44Å; Q241-S245 PolarHBondContact O-N 3.38Å; Q241-S245 PolarHBondContact O-OG 3.48Å
242	N	76.4	Confident	73	Confident	98 Å²	98	58.4 Å²	58.4	52%	0.524	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-42	175.1	-72.9	-16.5	0	0	0	110.9	R238 I239 S245 S246	R238-N242 WeakPolarHBondContact O-CB 3.49Å; R238-N242 PolarHBondContact O-N 3.41Å; R238-N242 PolarHBondContact O-ND2 2.99Å; I239-N242 PolarHBondContact O-N 3.44Å; N242-S245 WeakPolarHBondContact CA-OG 3.48Å; N242-S245 PolarHBondContact O-N 2.89Å; N242-S245 PolarHBondContact O-OG 2.98Å; N242-S246 PolarHBondContact O-N 3.1Å
243	F	81.6	Confident	70.6	Confident	19 Å²	19	59.3 Å²	59.3	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-49.1	175.9	176.3	-111.7	0	0	0	112.7	L147 K151 V209 I239 S240 Q241 S245 S246 I247	L147-F243 HydrophobicContact CB-CB 4.49Å; L147-F243 HydrophobicContact CB-CD1 4.16Å; L147-F243 HydrophobicContact CB-CD2 4.12Å; L147-F243 HydrophobicContact CB-CE1 4.39Å; L147-F243 HydrophobicContact CB-CE2 4.4Å; L147-F243 HydrophobicContact CB-CG 3.98Å; L147-F243 HydrophobicContact CB-CZ 4.49Å; L147-F243 HydrophobicContact CD1-CB 3.72Å; L147-F243 HydrophobicContact CD1-CD1 3.96Å; L147-F243 HydrophobicContact CD1-CG 3.91Å; L147-F243 HydrophobicContact CD2-CD1 3.81Å; L147-F243 HydrophobicContact CD2-CE1 3.95Å; L147-F243 HydrophobicContact CD2-CG 4.44Å; L147-F243 HydrophobicContact CG-CD1 4.19Å; L147-F243 HydrophobicContact CG-CG 4.33Å; L147-F243 WeakPolarHBondContact O-CE2 3.47Å; K151-F243 HydrophobicContact CB-CE2 3.81Å; K151-F243 HydrophobicContact CB-CZ 4.41Å; K151-F243 HydrophobicContact CD-CE2 4.29Å; V209-F243 HydrophobicContact CG1-CE1 4.36Å; V209-F243 HydrophobicContact CG2-CD1 3.85Å; V209-F243 HydrophobicContact CG2-CE1 3.72Å; I239-F243 PolarHBondContact O-N 2.91Å; S240-F243 PolarHBondContact O-N 2.93Å; Q241-F243 VanDerWaalsContact C-N 3.3Å; Q241-F243 PolarHBondContact O-N 3.07Å; F243-S245 VanDerWaalsContact C-N 3.27Å; F243-S245 PolarHBondContact O-N 3.45Å; F243-S246 WeakPolarHBondContact O-CB 3.33Å; F243-S246 PolarHBondContact O-N 3.17Å; F243-S246 PolarHBondContact O-OG 3.15Å; F243-I247 HydrophobicContact CD1-CD1 3.83Å; F243-I247 HydrophobicContact CD2-CD1 4.38Å; F243-I247 HydrophobicContact CE1-CD1 3.18Å; F243-I247 HydrophobicContact CE1-CG1 4.27Å; F243-I247 HydrophobicContact CE2-CD1 3.79Å; F243-I247 HydrophobicContact CE2-CG1 4.07Å; F243-I247 HydrophobicContact CG-CD1 4.41Å; F243-I247 HydrophobicContact CZ-CD1 3.18Å; F243-I247 HydrophobicContact CZ-CG1 3.95Å; F243-I247 PolarHBondContact O-N 2.68Å
244	L	75.1	Confident	68.3	Low	40 Å²	40	66 Å²	66	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-40	175.7	-71	-174.9	0	0	0	111.3	V209 T210 T213 S240 Q241 S246 I247 N248	V209-L244 HydrophobicContact CG1-CD2 4.13Å; V209-L244 HydrophobicContact CG2-CD2 4.28Å; T210-L244 HydrophobicContact CG2-CD2 3.95Å; T213-L244 HydrophobicContact CG2-CD1 3.89Å; T213-L244 WeakPolarHBondContact OG1-CD1 3.09Å; S240-L244 WeakPolarHBondContact O-CG 3.37Å; S240-L244 PolarHBondContact O-N 3.39Å; Q241-L244 PolarHBondContact O-N 3.28Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.87Å; L244-I247 PolarHBondContact O-N 3.4Å; L244-N248 WeakPolarHBondContact O-CB 3.43Å; L244-N248 PolarHBondContact O-N 2.97Å
245	S	66.4	Low	66.1	Low	55 Å²	55	66.6 Å²	66.6	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-39.8	173.6	76.7	0	0	0	0	111.5	Q241 N242 F243 N248 E249	Q241-S245 WeakPolarHBondContact O-CB 3.44Å; Q241-S245 PolarHBondContact O-N 3.38Å; Q241-S245 PolarHBondContact O-OG 3.48Å; N242-S245 WeakPolarHBondContact CA-OG 3.48Å; N242-S245 PolarHBondContact O-N 2.89Å; N242-S245 PolarHBondContact O-OG 2.98Å; F243-S245 VanDerWaalsContact C-N 3.27Å; F243-S245 PolarHBondContact O-N 3.45Å; S245-N248 CarbonylContact O-C 3.52Å; S245-N248 PolarHBondContact O-N 3.05Å; S245-E249 VanDerWaalsContact O-CB 3.27Å; S245-E249 WeakPolarHBondContact O-CB 3.42Å; S245-E249 WeakPolarHBondContact O-CG 3.39Å; S245-E249 PolarHBondContact O-N 3.01Å
246	S	67.8	Low	64.4	Low	39 Å²	39	68.8 Å²	68.8	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-33.9	178	74.8	0	0	0	0	113.7	N242 F243 L244	N242-S246 PolarHBondContact O-N 3.1Å; F243-S246 WeakPolarHBondContact O-CB 3.33Å; F243-S246 PolarHBondContact O-N 3.17Å; F243-S246 PolarHBondContact O-OG 3.15Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.87Å
247	I	64.5	Low	62.9	Low	15 Å²	15	70.7 Å²	70.7	8%	0.077	36%	0.355	C	S	.	.	H	α-helix	trans	-70.5	-44.7	171.6	-66.9	166.4	0	0	0	109.9	V154 F243 L244 E249 E250 I251	V154-I247 HydrophobicContact CG1-CG1 4.48Å; V154-I247 HydrophobicContact CG1-CG2 4.09Å; V154-I247 HydrophobicContact CG2-CD1 4.25Å; F243-I247 HydrophobicContact CD1-CD1 3.83Å; F243-I247 HydrophobicContact CD2-CD1 4.38Å; F243-I247 HydrophobicContact CE1-CD1 3.18Å; F243-I247 HydrophobicContact CE1-CG1 4.27Å; F243-I247 HydrophobicContact CE2-CD1 3.79Å; F243-I247 HydrophobicContact CE2-CG1 4.07Å; F243-I247 HydrophobicContact CG-CD1 4.41Å; F243-I247 HydrophobicContact CZ-CD1 3.18Å; F243-I247 HydrophobicContact CZ-CG1 3.95Å; F243-I247 PolarHBondContact O-N 2.68Å; L244-I247 PolarHBondContact O-N 3.4Å; I247-E249 PolarHBondContact O-N 2.97Å; I247-E250 PolarHBondContact O-N 3.08Å; I247-E250 VanDerWaalsContact O-N 3.16Å; I247-I251 HydrophobicContact CG2-CD1 3.51Å; I247-I251 HydrophobicContact CG2-CG1 4.33Å; I247-I251 WeakPolarHBondContact O-CG1 3.36Å; I247-I251 PolarHBondContact O-N 2.97Å; I247-I251 VanDerWaalsContact O-N 3.11Å
248	N	53	Low	61.9	Low	110 Å²	110	70.5 Å²	70.5	59%	0.588	36%	0.355	S	S	*	.	H	α-helix	trans	-67.5	-27	-180	-148.8	20.9	0	0	0	111.7	L244 S245 E250 I251 D252	L244-N248 WeakPolarHBondContact O-CB 3.43Å; L244-N248 PolarHBondContact O-N 2.97Å; S245-N248 CarbonylContact O-C 3.52Å; S245-N248 PolarHBondContact O-N 3.05Å; N248-E250 VanDerWaalsContact C-N 3.35Å; N248-I251 PolarHBondContact O-N 2.86Å; N248-D252 VanDerWaalsContact O-CB 3.32Å; N248-D252 WeakPolarHBondContact O-CB 3.19Å; N248-D252 PolarHBondContact O-N 3.41Å
249	E	46.1	Very low	60.8	Low	84 Å²	84	67.7 Å²	67.7	39%	0.393	35%	0.354	S	S	.	.	H	α-helix	trans	-69.3	-26.4	173.1	-82.3	-174.8	159.4	0	0	113.6	S245 I247 R255	S245-E249 VanDerWaalsContact O-CB 3.27Å; S245-E249 WeakPolarHBondContact O-CB 3.42Å; S245-E249 WeakPolarHBondContact O-CG 3.39Å; S245-E249 PolarHBondContact O-N 3.01Å; I247-E249 PolarHBondContact O-N 2.97Å; E249-R255 WeakPolarHBondContact O-CB 3.43Å; E249-R255 IonicContact OE1-CZ 3.36Å; E249-R255 IonicContact OE1-NH1 3.75Å; E249-R255 PolarHBondContact OE1-NH1 3.26Å; E249-R255 IonicContact OE1-NH2 2.83Å; E249-R255 PolarHBondContact OE1-NH2 2.61Å; E249-R255 IonicContact OE2-NH1 3.75Å; E249-R255 PolarHBondContact OE2-NH1 3.37Å
250	E	45.1	Very low	59.8	Low	126 Å²	126	65.1 Å²	65.1	59%	0.589	34%	0.341	S	S	*	.	H	α-helix	trans	-91.4	-20.3	173.8	-88.1	179.1	-174.4	0	0	113.3	K151 I247 N248	K151-E250 VanDerWaalsContact NZ-CD 3.27Å; K151-E250 IonicContact NZ-OE1 2.67Å; K151-E250 PolarHBondContact NZ-OE1 2.75Å; K151-E250 IonicContact NZ-OE2 3.33Å; K151-E250 PolarHBondContact NZ-OE2 3.37Å; I247-E250 PolarHBondContact O-N 3.08Å; I247-E250 VanDerWaalsContact O-N 3.16Å; N248-E250 VanDerWaalsContact C-N 3.35Å
251	I	44.2	Very low	58.4	Low	109 Å²	109	69.1 Å²	69.1	56%	0.559	37%	0.367	S	S	*	.	H	α-helix	trans	-94.6	-20.5	179.3	-60.7	175.1	0	0	0	112.1	I247 N248 P253	I247-I251 HydrophobicContact CG2-CD1 3.51Å; I247-I251 HydrophobicContact CG2-CG1 4.33Å; I247-I251 WeakPolarHBondContact O-CG1 3.36Å; I247-I251 PolarHBondContact O-N 2.97Å; I247-I251 VanDerWaalsContact O-N 3.11Å; N248-I251 PolarHBondContact O-N 2.86Å; I251-P253 VanDerWaalsContact O-CD 3.3Å; I251-P253 WeakPolarHBondContact O-CD 3.47Å
252	D	44.7	Very low	57.5	Low	35 Å²	35	71.1 Å²	71.1	19%	0.187	37%	0.374	C	S	.	.			trans	-68.7	117.9	176	-171.5	-9.9	0	0	0	111.4	N248 R254 R255	N248-D252 VanDerWaalsContact O-CB 3.32Å; N248-D252 WeakPolarHBondContact O-CB 3.19Å; N248-D252 PolarHBondContact O-N 3.41Å; D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 VanDerWaalsContact OD1-CB 3.28Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 VanDerWaalsContact OD1-CG 3.3Å; D252-R254 WeakPolarHBondContact OD1-CG 3.01Å; D252-R254 IonicContact OD1-CZ 2.86Å; D252-R254 PolarHBondContact OD1-N 3.07Å; D252-R254 IonicContact OD1-NE 2.85Å; D252-R254 PolarHBondContact OD1-NE 2.65Å; D252-R254 IonicContact OD2-CZ 3.82Å; D252-R254 IonicContact OD2-NE 2.69Å; D252-R254 PolarHBondContact OD2-NE 3.21Å; D252-R254 IonicContact OD2-NH1 3.74Å; D252-R254 IonicContact OD2-NH2 3.3Å; D252-R255 PolarHBondContact O-N 3.31Å
253	P	43.1	Very low	56.6	Low	69 Å²	69	69.1 Å²	69.1	45%	0.448	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-52.1	-30.2	175	-24.5	32.9	0	0	0	112.9	I251 R255 T256 L448	I251-P253 VanDerWaalsContact O-CD 3.3Å; I251-P253 WeakPolarHBondContact O-CD 3.47Å; P253-R255 PolarHBondContact O-N 3.08Å; P253-R255 VanDerWaalsContact O-N 3.14Å; P253-T256 PolarHBondContact O-N 2.87Å; P253-L448 WeakPolarHBondContact O-CD2 3.46Å
254	R	42.5	Very low	55.8	Low	139 Å²	139	72 Å²	72	53%	0.525	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-61.3	-21.1	178.3	-66.4	173.9	-115.5	164.9	-1.8	114.1	D252 Q267 T450	D252-R254 PolarHBondContact O-N 3.06Å; D252-R254 VanDerWaalsContact OD1-CB 3.28Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 VanDerWaalsContact OD1-CG 3.3Å; D252-R254 WeakPolarHBondContact OD1-CG 3.01Å; D252-R254 IonicContact OD1-CZ 2.86Å; D252-R254 PolarHBondContact OD1-N 3.07Å; D252-R254 IonicContact OD1-NE 2.85Å; D252-R254 PolarHBondContact OD1-NE 2.65Å; D252-R254 IonicContact OD2-CZ 3.82Å; D252-R254 IonicContact OD2-NE 2.69Å; D252-R254 PolarHBondContact OD2-NE 3.21Å; D252-R254 IonicContact OD2-NH1 3.74Å; D252-R254 IonicContact OD2-NH2 3.3Å; R254-Q267 VanDerWaalsContact O-CG 3.24Å; R254-Q267 WeakPolarHBondContact O-CG 3.19Å; R254-Q267 PolarHBondContact O-NE2 3.29Å; R254-T450 HydrophobicContact CG-CG2 3.5Å
255	R	44.8	Very low	55.3	Low	122 Å²	122	73.1 Å²	73.1	46%	0.46	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-105.8	-8.1	-178.9	-61.2	-144.6	175.2	179.3	12.1	114.2	E249 D252 P253 A257	E249-R255 WeakPolarHBondContact O-CB 3.43Å; E249-R255 IonicContact OE1-CZ 3.36Å; E249-R255 IonicContact OE1-NH1 3.75Å; E249-R255 PolarHBondContact OE1-NH1 3.26Å; E249-R255 IonicContact OE1-NH2 2.83Å; E249-R255 PolarHBondContact OE1-NH2 2.61Å; E249-R255 IonicContact OE2-NH1 3.75Å; E249-R255 PolarHBondContact OE2-NH1 3.37Å; D252-R255 PolarHBondContact O-N 3.31Å; P253-R255 PolarHBondContact O-N 3.08Å; P253-R255 VanDerWaalsContact O-N 3.14Å; R255-A257 PolarHBondContact O-N 3.13Å
256	T	53.5	Low	55.8	Low	79 Å²	79	70.6 Å²	70.6	49%	0.485	39%	0.388	S	S	.	.			trans	-66	104.2	173	-54.8	0	0	0	0	109.1	P253 V258	P253-T256 PolarHBondContact O-N 2.87Å; T256-V258 PolarHBondContact O-N 3.3Å
257	A	56.3	Low	56.3	Low	40 Å²	40	71.8 Å²	71.8	33%	0.331	39%	0.389	S	S	.	.			trans	-68.2	124.3	178.3	0	0	0	0	0	110.4	R255 T259 A265 R266	R255-A257 PolarHBondContact O-N 3.13Å; A257-T259 PolarHBondContact O-N 3.41Å; A257-T259 VanDerWaalsContact O-N 3.12Å; A257-A265 HydrophobicContact CB-CB 3.77Å; A257-R266 CarbonylContact C-O 3.38Å; A257-R266 WeakPolarHBondContact CA-O 3.23Å
258	V	64.9	Low	57.1	Low	11 Å²	11	71.3 Å²	71.3	7%	0.067	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	109.4	168.2	-173.6	0	0	0	0	107.1	T256 T260 E264 R266 F290 V440 L441 S444 L448	T256-V258 PolarHBondContact O-N 3.3Å; V258-T260 PolarHBondContact O-N 3.16Å; V258-E264 VanDerWaalsContact O-O 3.13Å; V258-R266 PolarHBondContact N-O 2.81Å; V258-R266 PolarHBondContact O-N 2.99Å; V258-F290 HydrophobicContact CG2-CE1 4.49Å; V258-V440 HydrophobicContact CG1-CG1 4.11Å; V258-L441 HydrophobicContact CB-CD2 4.11Å; V258-L441 HydrophobicContact CG1-CD2 3.94Å; V258-L441 HydrophobicContact CG2-CD2 4.46Å; V258-S444 WeakPolarHBondContact CG1-OG 3.32Å; V258-S444 VanDerWaalsContact CG2-CB 3.46Å; V258-L448 HydrophobicContact CG2-CD1 3.25Å
259	T	62.6	Low	58.5	Low	86 Å²	86	69.4 Å²	69.4	53%	0.528	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111.9	172.9	-54.8	0	0	0	0	107.8	A257 E264	A257-T259 PolarHBondContact O-N 3.41Å; A257-T259 VanDerWaalsContact O-N 3.12Å; T259-E264 WeakPolarHBondContact CA-O 3.28Å
260	T	61.1	Low	60.3	Low	3 Å²	3	67.6 Å²	67.6	2%	0.018	37%	0.369	C	S	.	.			trans	-71.8	163.3	174.1	61.6	0	0	0	0	110.6	V258 K262 G263 E264 R266 E437 L441	V258-T260 PolarHBondContact O-N 3.16Å; T260-K262 PolarHBondContact O-N 3.33Å; T260-G263 PolarHBondContact O-N 2.88Å; T260-E264 PolarHBondContact N-O 2.85Å; T260-E264 VanDerWaalsContact N-O 3.12Å; T260-R266 PolarHBondContact OG1-NH1 2.95Å; T260-R266 VanDerWaalsContact OG1-NH1 3.13Å; T260-E437 HydrophobicContact CG2-CB 4.36Å; T260-E437 HydrophobicContact CG2-CG 4.46Å; T260-L441 HydrophobicContact CG2-CD1 4.24Å; T260-L441 HydrophobicContact CG2-CG 4.21Å
261	P	53.5	Low	62.2	Low	93 Å²	93	62 Å²	62	60%	0.604	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-18	177.2	-31.6	35	0	0	0	116.6	V436 V440	P261-V436 HydrophobicContact CG-CG1 4.31Å; P261-V440 HydrophobicContact CG-CG2 4.46Å
262	K	59.9	Low	64.1	Low	122 Å²	122	57.3 Å²	57.3	53%	0.53	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.3	173.8	-68.3	-176.4	-169.3	145.3	0	114.7	T260 E437	T260-K262 PolarHBondContact O-N 3.33Å; K262-E437 WeakPolarHBondContact CD-OE1 3.28Å; K262-E437 WeakPolarHBondContact CE-OE1 3.38Å; K262-E437 VanDerWaalsContact CG-OE1 3.31Å; K262-E437 WeakPolarHBondContact CG-OE1 3.04Å; K262-E437 IonicContact NZ-OE1 3.57Å; K262-E437 PolarHBondContact NZ-OE1 2.92Å; K262-E437 IonicContact NZ-OE2 3.23Å; K262-E437 PolarHBondContact NZ-OE2 2.95Å
263	G	57.5	Low	66.1	Low	55 Å²	55	56.3 Å²	56.3	57%	0.567	32%	0.316	S	S	*	.	S	Bend	trans	84.2	8.2	-179.4	0	0	0	0	0	114.8	T260 A265	T260-G263 PolarHBondContact O-N 2.88Å; G263-A265 PolarHBondContact O-N 3.46Å
264	E	65.7	Low	68.3	Low	79 Å²	79	53.3 Å²	53.3	37%	0.369	30%	0.296	S	S	.	.			trans	-82.4	113.8	178.4	-66.1	174.3	163.5	0	0	110.1	V258 T259 T260 R266	V258-E264 VanDerWaalsContact O-O 3.13Å; T259-E264 WeakPolarHBondContact CA-O 3.28Å; T260-E264 PolarHBondContact N-O 2.85Å; T260-E264 VanDerWaalsContact N-O 3.12Å; E264-R266 IonicContact OE2-CZ 3.44Å; E264-R266 IonicContact OE2-NH1 3.44Å; E264-R266 PolarHBondContact OE2-NH1 3.48Å; E264-R266 VanDerWaalsContact OE2-NH1 3.17Å; E264-R266 IonicContact OE2-NH2 3.6Å; E264-R266 PolarHBondContact OE2-NH2 3.46Å
265	A	64.9	Low	70.6	Confident	65 Å²	65	46.7 Å²	46.7	54%	0.537	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.1	177.9	0	0	0	0	0	110.6	A257 G263	A257-A265 HydrophobicContact CB-CB 3.77Å; G263-A265 PolarHBondContact O-N 3.46Å
266	R	77.1	Confident	72.8	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.1	179.5	-65.6	-177.2	169.4	81.3	2.4	111.5	A257 V258 T260 E264 F290 D292 C431	A257-R266 CarbonylContact C-O 3.38Å; A257-R266 WeakPolarHBondContact CA-O 3.23Å; V258-R266 PolarHBondContact N-O 2.81Å; V258-R266 PolarHBondContact O-N 2.99Å; T260-R266 PolarHBondContact OG1-NH1 2.95Å; T260-R266 VanDerWaalsContact OG1-NH1 3.13Å; E264-R266 IonicContact OE2-CZ 3.44Å; E264-R266 IonicContact OE2-NH1 3.44Å; E264-R266 PolarHBondContact OE2-NH1 3.48Å; E264-R266 VanDerWaalsContact OE2-NH1 3.17Å; E264-R266 IonicContact OE2-NH2 3.6Å; E264-R266 PolarHBondContact OE2-NH2 3.46Å; R266-F290 HydrophobicContact CB-CD1 4.09Å; R266-D292 IonicContact CZ-OD2 3.08Å; R266-D292 IonicContact NE-OD1 2.92Å; R266-D292 PolarHBondContact NE-OD1 3.03Å; R266-D292 IonicContact NE-OD2 3.68Å; R266-D292 PolarHBondContact NE-OD2 2.96Å; R266-D292 IonicContact NH2-OD2 3.47Å; R266-D292 PolarHBondContact NH2-OD2 3.34Å; R266-C431 PolarHBondContact NH2-SG 3.37Å
267	Q	78.3	Confident	74.4	Confident	65 Å²	65	39 Å²	39	30%	0.304	24%	0.235	S	C	.	.			trans	-102.6	134.2	179.3	-173	-173.8	-11.3	0	0	110.4	R254 V269 F290 T291	R254-Q267 VanDerWaalsContact O-CG 3.24Å; R254-Q267 WeakPolarHBondContact O-CG 3.19Å; R254-Q267 PolarHBondContact O-NE2 3.29Å; Q267-V269 PolarHBondContact O-N 2.95Å; Q267-F290 CarbonylContact O-C 3.5Å; Q267-F290 VanDerWaalsContact O-CA 3.22Å; Q267-F290 WeakPolarHBondContact O-CA 3.34Å; Q267-T291 HydrophobicContact CB-CG2 3.82Å; Q267-T291 PolarHBondContact N-OG1 2.88Å; Q267-T291 PolarHBondContact O-N 3.15Å
268	L	80	Confident	75.7	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.7	172.6	-177.7	68.2	0	0	0	109.3	D271 F288 F290 L448	L268-D271 HydrophobicContact CD1-CB 4.41Å; L268-D271 HydrophobicContact CD2-CB 4.32Å; L268-F288 HydrophobicContact CD1-CB 3.89Å; L268-F288 HydrophobicContact CD1-CD1 3.95Å; L268-F288 HydrophobicContact CD1-CG 4.44Å; L268-F288 HydrophobicContact CD2-CD1 4.37Å; L268-F290 HydrophobicContact CB-CD1 4.19Å; L268-F290 HydrophobicContact CB-CE1 3.92Å; L268-F290 HydrophobicContact CB-CZ 4.47Å; L268-F290 HydrophobicContact CD1-CD1 4.4Å; L268-F290 HydrophobicContact CD1-CD2 4.25Å; L268-F290 HydrophobicContact CD1-CE1 4.15Å; L268-F290 HydrophobicContact CD1-CE2 4.02Å; L268-F290 HydrophobicContact CD1-CG 4.46Å; L268-F290 HydrophobicContact CD1-CZ 3.96Å; L268-L448 HydrophobicContact CB-CB 4.5Å; L268-L448 HydrophobicContact CB-CD1 4.46Å; L268-L448 HydrophobicContact CD2-CB 3.82Å; L268-L448 VanDerWaalsContact CD2-O 3.26Å; L268-L448 WeakPolarHBondContact CD2-O 3.39Å
269	V	82.1	Confident	76.3	Confident	69 Å²	69	46.2 Å²	46.2	42%	0.418	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-40.7	-178.3	179.9	0	0	0	0	111.3	Q267 L289 T291 L423	Q267-V269 PolarHBondContact O-N 2.95Å; V269-L289 PolarHBondContact N-O 2.85Å; V269-T291 HydrophobicContact CG2-CG2 4.04Å; V269-L423 HydrophobicContact CB-CD1 4.19Å; V269-L423 HydrophobicContact CG1-CD1 4.25Å; V269-L423 HydrophobicContact CG2-CD1 3.93Å; V269-L423 HydrophobicContact CG2-CD2 4.29Å
270	K	84.8	Confident	76.9	Confident	46 Å²	46	46.8 Å²	46.8	20%	0.2	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	143.2	-179.4	-174.3	168.6	-174.8	159.3	0	109.7	L289 E415 W416	K270-L289 HydrophobicContact CB-CB 4.21Å; K270-L289 HydrophobicContact CB-CD2 4.34Å; K270-L289 PolarHBondContact N-O 2.8Å; K270-L289 WeakPolarHBondContact O-CB 3.14Å; K270-L289 PolarHBondContact O-N 3.44Å; K270-E415 IonicContact NZ-OE2 2.8Å; K270-E415 PolarHBondContact NZ-OE2 3.33Å; K270-W416 HydrophobicContact CD-CD2 4.31Å; K270-W416 HydrophobicContact CD-CE3 4.37Å; K270-W416 HydrophobicContact CD-CH2 4.37Å; K270-W416 HydrophobicContact CD-CZ2 4.29Å; K270-W416 HydrophobicContact CD-CZ3 4.41Å; K270-W416 HydrophobicContact CG-CH2 4.08Å; K270-W416 HydrophobicContact CG-CZ2 4.26Å; K270-W416 HydrophobicContact CG-CZ3 4.38Å
271	D	84.8	Confident	78	Confident	10 Å²	10	48.9 Å²	48.9	5%	0.053	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.9	166	74.8	-73.5	0	0	0	111.1	L268 H286 V287 F288 T450 V451	L268-D271 HydrophobicContact CD1-CB 4.41Å; L268-D271 HydrophobicContact CD2-CB 4.32Å; D271-H286 IonicContact OD2-CD2 2.75Å; D271-H286 IonicContact OD2-CE1 2.85Å; D271-H286 IonicContact OD2-NE2 3.46Å; D271-H286 PolarHBondContact OD2-NE2 3.4Å; D271-V287 CarbonylContact C-O 3.57Å; D271-V287 VanDerWaalsContact CA-O 3.23Å; D271-V287 WeakPolarHBondContact CA-O 3.41Å; D271-F288 HydrophobicContact CB-CD1 3.65Å; D271-F288 HydrophobicContact CB-CE1 4.03Å; D271-F288 HydrophobicContact CB-CG 4.33Å; D271-T450 WeakPolarHBondContact OD1-CB 3.49Å; D271-T450 PolarHBondContact OD1-N 2.76Å; D271-T450 PolarHBondContact OD1-OG1 3.47Å; D271-T450 PolarHBondContact OD2-N 3.2Å; D271-V451 WeakPolarHBondContact OD2-CB 3.17Å; D271-V451 PolarHBondContact OD2-N 2.69Å
272	G	84.9	Confident	79.7	Confident	9 Å²	9	46.2 Å²	46.2	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	163.1	177.7	0	0	0	0	0	113.4	H286 V287	G272-H286 PolarHBondContact O-CD2 2.89Å; G272-V287 PolarHBondContact N-O 2.87Å; G272-V287 PolarHBondContact O-N 3.37Å
273	F	86	Confident	81.1	Confident	14 Å²	14	42.9 Å²	42.9	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.2	175.7	-73.8	-78	0	0	0	110.6	L284 R285 H286 M299 L385 V451 I454	F273-L284 HydrophobicContact CB-CD1 4.22Å; F273-L284 HydrophobicContact CD1-CD2 4.34Å; F273-L284 HydrophobicContact CD1-CG 4.26Å; F273-R285 CarbonylContact C-O 3.53Å; F273-R285 VanDerWaalsContact CA-O 3.25Å; F273-R285 WeakPolarHBondContact CA-O 3.25Å; F273-H286 HydrophobicContact CD1-CB 4.09Å; F273-H286 HydrophobicContact CE1-CB 3.73Å; F273-H286 AromaticContact CE1-CG 3.84Å; F273-H286 AromaticContact CE1-ND1 3.88Å; F273-H286 HydrophobicContact CZ-CB 4.34Å; F273-H286 AromaticContact CZ-CE1 3.99Å; F273-H286 AromaticContact CZ-CG 3.96Å; F273-H286 AromaticContact CZ-ND1 3.59Å; F273-M299 HydrophobicContact CE1-CE 3.47Å; F273-M299 VanDerWaalsContact CE1-CE 3.47Å; F273-M299 HydrophobicContact CE1-CG 4.3Å; F273-M299 HydrophobicContact CE1-SD 4.12Å; F273-M299 HydrophobicContact CE2-CE 4.43Å; F273-M299 HydrophobicContact CZ-CE 3.29Å; F273-M299 HydrophobicContact CZ-SD 3.81Å; F273-L385 HydrophobicContact CB-CD2 3.55Å; F273-L385 HydrophobicContact CG-CD2 4.45Å; F273-V451 HydrophobicContact CD2-CG1 3.68Å; F273-V451 HydrophobicContact CE2-CB 4.42Å; F273-V451 HydrophobicContact CE2-CG1 3.7Å; F273-I454 HydrophobicContact CD2-CG1 4.42Å; F273-I454 HydrophobicContact CE2-CG1 4.41Å; F273-I454 HydrophobicContact CG-CG1 4.48Å; F273-I454 HydrophobicContact CZ-CG1 4.49Å
274	L	89.6	Confident	82.5	Confident	6 Å²	6	42 Å²	42	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.8	179.1	-55.8	-170.7	0	0	0	111.1	R285 V287 F405 L407 W416	L274-R285 PolarHBondContact N-O 3.49Å; L274-R285 PolarHBondContact O-N 2.98Å; L274-V287 HydrophobicContact CB-CG2 4.03Å; L274-V287 HydrophobicContact CD1-CB 4.1Å; L274-V287 HydrophobicContact CD1-CG1 4.41Å; L274-V287 HydrophobicContact CD1-CG2 3.89Å; L274-V287 HydrophobicContact CG-CB 4.27Å; L274-V287 HydrophobicContact CG-CG2 3.97Å; L274-F405 HydrophobicContact CB-CD1 3.84Å; L274-F405 HydrophobicContact CB-CE1 4.35Å; L274-F405 HydrophobicContact CD1-CD1 4.17Å; L274-F405 HydrophobicContact CD1-CG 4.41Å; L274-L407 HydrophobicContact CD1-CD2 4.22Å; L274-L407 HydrophobicContact CD2-CD2 3.55Å; L274-L407 HydrophobicContact CG-CD2 4.39Å; L274-W416 HydrophobicContact CD1-CD2 4.27Å; L274-W416 HydrophobicContact CD1-CH2 4.47Å; L274-W416 HydrophobicContact CD1-CZ2 4.08Å; L274-W416 HydrophobicContact CD2-CZ2 4.12Å; L274-W416 HydrophobicContact CG-CZ2 4.23Å
275	V	90.3	Very high	83.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.2	175.4	178.4	0	0	0	0	109.3	R282 L284 L385 L386 P389 F405 L406	V275-R282 HydrophobicContact CG1-CB 3.84Å; V275-R282 HydrophobicContact CG1-CG 4.09Å; V275-L284 HydrophobicContact CG2-CD1 4.24Å; V275-L385 WeakPolarHBondContact CG2-O 3.37Å; V275-L386 HydrophobicContact CG1-CD1 4.26Å; V275-L386 HydrophobicContact CG2-CD1 4.41Å; V275-P389 HydrophobicContact CG2-CB 4.43Å; V275-P389 HydrophobicContact CG2-CG 3.9Å; V275-F405 CarbonylContact O-C 3.58Å; V275-F405 VanDerWaalsContact O-CA 3.22Å; V275-F405 WeakPolarHBondContact O-CA 3.45Å; V275-L406 HydrophobicContact CB-CB 4.21Å; V275-L406 HydrophobicContact CG1-CB 4.36Å; V275-L406 HydrophobicContact CG1-CD1 4.28Å; V275-L406 PolarHBondContact O-N 2.98Å
276	E	91.3	Very high	84.8	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.4	172.4	176.9	-178	-135.1	0	0	109.9	K283 R285 Y314 F405	E276-K283 PolarHBondContact N-O 3.18Å; E276-K283 PolarHBondContact O-N 2.97Å; E276-R285 HydrophobicContact CB-CG 3.78Å; E276-R285 IonicContact OE2-CZ 3.77Å; E276-R285 IonicContact OE2-NE 3.39Å; E276-R285 PolarHBondContact OE2-NE 3.4Å; E276-R285 IonicContact OE2-NH2 2.79Å; E276-R285 PolarHBondContact OE2-NH2 2.85Å; E276-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E276-Y314 PolarHBondContact OE1-OH 3.49Å; E276-F405 HydrophobicContact CB-CD1 4.21Å; E276-F405 HydrophobicContact CB-CE1 4.16Å
277	L	87.9	Confident	85.5	Confident	25 Å²	25	36.2 Å²	36.2	13%	0.131	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.5	169.2	-162.4	74.4	0	0	0	109.2	R282 P333 L404	L277-R282 HydrophobicContact CD1-CG 4.02Å; L277-P333 HydrophobicContact CD2-CB 4.42Å; L277-P333 HydrophobicContact CD2-CG 3.96Å; L277-L404 HydrophobicContact CB-CB 4.46Å; L277-L404 HydrophobicContact CB-CD2 4.09Å; L277-L404 HydrophobicContact CB-CG 4.17Å; L277-L404 HydrophobicContact CD2-CD2 3.72Å; L277-L404 PolarHBondContact N-O 3.33Å
278	S	83.1	Confident	86	Confident	32 Å²	32	33.1 Å²	33.1	22%	0.224	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.5	-178.5	167.1	0	0	0	0	109.1	S280 S281 K283	S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 3.02Å; S278-S281 PolarHBondContact N-O 2.87Å; S278-S281 PolarHBondContact O-N 3.4Å; S278-S281 PolarHBondContact O-OG 2.85Å; S278-K283 PolarHBondContact OG-NZ 2.77Å
279	E	77.8	Confident	86.5	Confident	171 Å²	171	32.9 Å²	32.9	80%	0.799	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	41.9	-179.4	-55.6	160.5	152.7	0	0	112	S281 K283	E279-S281 PolarHBondContact O-N 2.8Å; E279-S281 VanDerWaalsContact O-N 3.1Å; E279-K283 IonicContact OE2-NZ 3.97Å; E279-K283 PolarHBondContact OE2-NZ 2.61Å; E279-K283 VanDerWaalsContact OE2-NZ 3.16Å
280	S	73.9	Confident	86.7	Confident	99 Å²	99	29.6 Å²	29.6	69%	0.692	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	13.4	-175.8	-51.7	0	0	0	0	115.3	S278	S278-S280 VanDerWaalsContact C-N 3.26Å; S278-S280 PolarHBondContact O-N 3.02Å
281	S	84	Confident	86.8	Confident	47 Å²	47	29.5 Å²	29.5	33%	0.329	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.2	175	68	0	0	0	0	111.2	S278 E279 K283	S278-S281 PolarHBondContact N-O 2.87Å; S278-S281 PolarHBondContact O-N 3.4Å; S278-S281 PolarHBondContact O-OG 2.85Å; E279-S281 PolarHBondContact O-N 2.8Å; E279-S281 VanDerWaalsContact O-N 3.1Å; S281-K283 WeakPolarHBondContact OG-CE 3.41Å
282	R	89.7	Confident	86.8	Confident	36 Å²	36	30.5 Å²	30.5	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.1	173.8	-65.7	173.5	176	-114.1	1.9	108.8	V275 L277 Q336 L386 H387 P389 L406	V275-R282 HydrophobicContact CG1-CB 3.84Å; V275-R282 HydrophobicContact CG1-CG 4.09Å; L277-R282 HydrophobicContact CD1-CG 4.02Å; R282-Q336 PolarHBondContact NE-O 3.08Å; R282-Q336 PolarHBondContact NH2-O 2.92Å; R282-L386 HydrophobicContact CB-CD1 3.78Å; R282-L386 HydrophobicContact CB-CG 4.23Å; R282-L386 WeakPolarHBondContact CD-O 3.38Å; R282-L386 PolarHBondContact NH1-O 3.29Å; R282-H387 PolarHBondContact NH1-O 3.32Å; R282-H387 VanDerWaalsContact NH1-O 3.1Å; R282-P389 PolarHBondContact NH1-O 3.38Å; R282-L406 HydrophobicContact CG-CD1 4.48Å
283	K	89.6	Confident	86.9	Confident	53 Å²	53	30.2 Å²	30.2	23%	0.23	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.8	179.7	-60.9	-179	-168.9	167.6	0	109	E276 S278 E279 S281 R285	E276-K283 PolarHBondContact N-O 3.18Å; E276-K283 PolarHBondContact O-N 2.97Å; S278-K283 PolarHBondContact OG-NZ 2.77Å; E279-K283 IonicContact OE2-NZ 3.97Å; E279-K283 PolarHBondContact OE2-NZ 2.61Å; E279-K283 VanDerWaalsContact OE2-NZ 3.16Å; S281-K283 WeakPolarHBondContact OG-CE 3.41Å; K283-R285 VanDerWaalsContact CD-NH2 3.29Å
284	L	87.9	Confident	87.1	Confident	37 Å²	37	29.8 Å²	29.8	19%	0.194	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.6	174.1	-165.1	66.2	0	0	0	110.4	F273 V275 L385 L386 I454	F273-L284 HydrophobicContact CB-CD1 4.22Å; F273-L284 HydrophobicContact CD1-CD2 4.34Å; F273-L284 HydrophobicContact CD1-CG 4.26Å; V275-L284 HydrophobicContact CG2-CD1 4.24Å; L284-L385 HydrophobicContact CD1-CD2 3.88Å; L284-L385 HydrophobicContact CD1-CG 4.05Å; L284-L386 HydrophobicContact CB-CD1 4.22Å; L284-I454 HydrophobicContact CD2-CD1 3.57Å; L284-I454 HydrophobicContact CD2-CG1 4.09Å
285	R	89.8	Confident	87.2	Confident	20 Å²	20	29.6 Å²	29.6	8%	0.075	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.2	-178.5	-64.3	-62.1	-175.2	-126.9	-2.9	110.6	F273 L274 E276 K283 V287 C296 A297	F273-R285 CarbonylContact C-O 3.53Å; F273-R285 VanDerWaalsContact CA-O 3.25Å; F273-R285 WeakPolarHBondContact CA-O 3.25Å; L274-R285 PolarHBondContact N-O 3.49Å; L274-R285 PolarHBondContact O-N 2.98Å; E276-R285 HydrophobicContact CB-CG 3.78Å; E276-R285 IonicContact OE2-CZ 3.77Å; E276-R285 IonicContact OE2-NE 3.39Å; E276-R285 PolarHBondContact OE2-NE 3.4Å; E276-R285 IonicContact OE2-NH2 2.79Å; E276-R285 PolarHBondContact OE2-NH2 2.85Å; K283-R285 VanDerWaalsContact CD-NH2 3.29Å; R285-V287 HydrophobicContact CB-CG2 4.2Å; R285-C296 VanDerWaalsContact CG-SG 3.59Å; R285-A297 CarbonylContact C-O 3.46Å; R285-A297 WeakPolarHBondContact CA-O 3.38Å
286	H	88.8	Confident	87.2	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.7	164.9	-159.8	164	0	0	0	107.3	D271 G272 F273 F288 A297 V451	D271-H286 IonicContact OD2-CD2 2.75Å; D271-H286 IonicContact OD2-CE1 2.85Å; D271-H286 IonicContact OD2-NE2 3.46Å; D271-H286 PolarHBondContact OD2-NE2 3.4Å; G272-H286 PolarHBondContact O-CD2 2.89Å; F273-H286 HydrophobicContact CD1-CB 4.09Å; F273-H286 HydrophobicContact CE1-CB 3.73Å; F273-H286 AromaticContact CE1-CG 3.84Å; F273-H286 AromaticContact CE1-ND1 3.88Å; F273-H286 HydrophobicContact CZ-CB 4.34Å; F273-H286 AromaticContact CZ-CE1 3.99Å; F273-H286 AromaticContact CZ-CG 3.96Å; F273-H286 AromaticContact CZ-ND1 3.59Å; H286-F288 HydrophobicContact CB-CE2 3.82Å; H286-F288 HydrophobicContact CB-CZ 4.26Å; H286-F288 AromaticContact CD2-CE2 3.71Å; H286-F288 AromaticContact CD2-CZ 3.58Å; H286-F288 AromaticContact CE1-CE1 3.8Å; H286-F288 AromaticContact CE1-CZ 3.39Å; H286-F288 WeakPolarHBondContact CE1-CZ 3.19Å; H286-F288 AromaticContact CG-CE2 3.49Å; H286-F288 VanDerWaalsContact CG-CE2 3.49Å; H286-F288 AromaticContact CG-CZ 3.46Å; H286-F288 VanDerWaalsContact CG-CZ 3.46Å; H286-F288 AromaticContact ND1-CE2 3.84Å; H286-F288 AromaticContact ND1-CZ 3.35Å; H286-F288 WeakPolarHBondContact ND1-CZ 3.3Å; H286-F288 AromaticContact NE2-CE1 3.67Å; H286-F288 AromaticContact NE2-CZ 3.52Å; H286-A297 PolarHBondContact N-O 3.25Å; H286-A297 PolarHBondContact O-N 3.33Å; H286-V451 PolarHBondContact CE1-O 3.13Å
287	V	90.8	Very high	87.1	Confident	1 Å²	1	29 Å²	29	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.4	-178.3	-177.6	0	0	0	0	108.6	D271 G272 L274 R285 L294 L295 F405 W416	D271-V287 CarbonylContact C-O 3.57Å; D271-V287 VanDerWaalsContact CA-O 3.23Å; D271-V287 WeakPolarHBondContact CA-O 3.41Å; G272-V287 PolarHBondContact N-O 2.87Å; G272-V287 PolarHBondContact O-N 3.37Å; L274-V287 HydrophobicContact CB-CG2 4.03Å; L274-V287 HydrophobicContact CD1-CB 4.1Å; L274-V287 HydrophobicContact CD1-CG1 4.41Å; L274-V287 HydrophobicContact CD1-CG2 3.89Å; L274-V287 HydrophobicContact CG-CB 4.27Å; L274-V287 HydrophobicContact CG-CG2 3.97Å; R285-V287 HydrophobicContact CB-CG2 4.2Å; V287-L294 HydrophobicContact CG1-CD1 3.63Å; V287-L294 HydrophobicContact CG1-CG 4.14Å; V287-L295 CarbonylContact C-O 3.56Å; V287-L295 WeakPolarHBondContact CA-O 3.26Å; V287-F405 HydrophobicContact CG2-CE1 3.95Å; V287-F405 HydrophobicContact CG2-CZ 4.36Å; V287-W416 HydrophobicContact CB-CH2 4.2Å; V287-W416 HydrophobicContact CG1-CH2 4.09Å; V287-W416 HydrophobicContact CG1-CZ3 4.04Å
288	F	89.3	Confident	87.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.7	-179.7	-59.9	-95.6	0	0	0	108.9	L268 D271 H286 F290 L295 A297 L310 C445 R449	L268-F288 HydrophobicContact CD1-CB 3.89Å; L268-F288 HydrophobicContact CD1-CD1 3.95Å; L268-F288 HydrophobicContact CD1-CG 4.44Å; L268-F288 HydrophobicContact CD2-CD1 4.37Å; D271-F288 HydrophobicContact CB-CD1 3.65Å; D271-F288 HydrophobicContact CB-CE1 4.03Å; D271-F288 HydrophobicContact CB-CG 4.33Å; H286-F288 HydrophobicContact CB-CE2 3.82Å; H286-F288 HydrophobicContact CB-CZ 4.26Å; H286-F288 AromaticContact CD2-CE2 3.71Å; H286-F288 AromaticContact CD2-CZ 3.58Å; H286-F288 AromaticContact CE1-CE1 3.8Å; H286-F288 AromaticContact CE1-CZ 3.39Å; H286-F288 WeakPolarHBondContact CE1-CZ 3.19Å; H286-F288 AromaticContact CG-CE2 3.49Å; H286-F288 VanDerWaalsContact CG-CE2 3.49Å; H286-F288 AromaticContact CG-CZ 3.46Å; H286-F288 VanDerWaalsContact CG-CZ 3.46Å; H286-F288 AromaticContact ND1-CE2 3.84Å; H286-F288 AromaticContact ND1-CZ 3.35Å; H286-F288 WeakPolarHBondContact ND1-CZ 3.3Å; H286-F288 AromaticContact NE2-CE1 3.67Å; H286-F288 AromaticContact NE2-CZ 3.52Å; F288-F290 HydrophobicContact CB-CD2 4.17Å; F288-F290 HydrophobicContact CB-CE2 3.64Å; F288-F290 HydrophobicContact CG-CE2 4.49Å; F288-L295 HydrophobicContact CB-CB 4.3Å; F288-L295 HydrophobicContact CB-CD2 4.47Å; F288-L295 HydrophobicContact CD2-CD2 3.64Å; F288-L295 HydrophobicContact CE2-CD2 4.3Å; F288-L295 HydrophobicContact CG-CD2 4.39Å; F288-L295 PolarHBondContact N-O 2.96Å; F288-L295 PolarHBondContact O-N 3.23Å; F288-A297 HydrophobicContact CE2-CB 4.37Å; F288-L310 HydrophobicContact CE2-CD1 4.42Å; F288-L310 HydrophobicContact CZ-CD1 4.11Å; F288-C445 HydrophobicContact CD1-CB 4.16Å; F288-C445 HydrophobicContact CE1-CB 3.75Å; F288-C445 HydrophobicContact CE2-CB 4.24Å; F288-C445 HydrophobicContact CZ-CB 3.78Å; F288-R449 HydrophobicContact CE1-CB 4.03Å
289	L	89.4	Confident	86.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.1	174.7	177.7	62.6	0	0	0	108.9	V269 K270 L294 L318 W416 I420 L423	V269-L289 PolarHBondContact N-O 2.85Å; K270-L289 HydrophobicContact CB-CB 4.21Å; K270-L289 HydrophobicContact CB-CD2 4.34Å; K270-L289 PolarHBondContact N-O 2.8Å; K270-L289 WeakPolarHBondContact O-CB 3.14Å; K270-L289 PolarHBondContact O-N 3.44Å; L289-L294 HydrophobicContact CB-CD1 4.2Å; L289-L294 HydrophobicContact CD1-CD1 4Å; L289-L318 HydrophobicContact CD1-CD1 3.93Å; L289-L318 HydrophobicContact CD1-CD2 3.75Å; L289-L318 HydrophobicContact CD1-CG 4.45Å; L289-W416 HydrophobicContact CB-CZ3 4.17Å; L289-I420 HydrophobicContact CD1-CG1 3.94Å; L289-I420 HydrophobicContact CD2-CG1 4.07Å; L289-L423 HydrophobicContact CD1-CD1 3.97Å; L289-L423 HydrophobicContact CD2-CD1 3.94Å; L289-L423 HydrophobicContact CG-CD1 3.82Å
290	F	87.8	Confident	86.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	172.5	171.6	-69.4	-94.2	0	0	0	110.3	V258 R266 Q267 L268 F288 D292 L293 L295 L423 L441 L448	V258-F290 HydrophobicContact CG2-CE1 4.49Å; R266-F290 HydrophobicContact CB-CD1 4.09Å; Q267-F290 CarbonylContact O-C 3.5Å; Q267-F290 VanDerWaalsContact O-CA 3.22Å; Q267-F290 WeakPolarHBondContact O-CA 3.34Å; L268-F290 HydrophobicContact CB-CD1 4.19Å; L268-F290 HydrophobicContact CB-CE1 3.92Å; L268-F290 HydrophobicContact CB-CZ 4.47Å; L268-F290 HydrophobicContact CD1-CD1 4.4Å; L268-F290 HydrophobicContact CD1-CD2 4.25Å; L268-F290 HydrophobicContact CD1-CE1 4.15Å; L268-F290 HydrophobicContact CD1-CE2 4.02Å; L268-F290 HydrophobicContact CD1-CG 4.46Å; L268-F290 HydrophobicContact CD1-CZ 3.96Å; F288-F290 HydrophobicContact CB-CD2 4.17Å; F288-F290 HydrophobicContact CB-CE2 3.64Å; F288-F290 HydrophobicContact CG-CE2 4.49Å; F290-D292 PolarHBondContact O-N 3.13Å; F290-D292 VanDerWaalsContact O-N 3.17Å; F290-L293 HydrophobicContact CB-CD1 3.9Å; F290-L293 HydrophobicContact CB-CG 3.94Å; F290-L293 HydrophobicContact CD2-CD1 3.39Å; F290-L293 HydrophobicContact CD2-CG 4.34Å; F290-L293 HydrophobicContact CE2-CD1 4.18Å; F290-L293 HydrophobicContact CG-CD1 3.91Å; F290-L293 HydrophobicContact CG-CG 4.39Å; F290-L293 PolarHBondContact N-O 3.02Å; F290-L295 HydrophobicContact CE2-CB 4.49Å; F290-L423 WeakPolarHBondContact O-CD1 3.24Å; F290-L441 HydrophobicContact CE1-CD2 4.36Å; F290-L441 HydrophobicContact CZ-CD2 4.37Å; F290-L448 HydrophobicContact CE1-CD1 4.35Å
291	T	85.8	Confident	85.8	Confident	45 Å²	45	33.8 Å²	33.8	28%	0.276	16%	0.161	S	C	.	.	S	Bend	trans	-55	-29.8	178.1	41.5	0	0	0	0	115	Q267 V269	Q267-T291 HydrophobicContact CB-CG2 3.82Å; Q267-T291 PolarHBondContact N-OG1 2.88Å; Q267-T291 PolarHBondContact O-N 3.15Å; V269-T291 HydrophobicContact CG2-CG2 4.04Å
292	D	84.5	Confident	84.2	Confident	30 Å²	30	34.1 Å²	34.1	16%	0.16	16%	0.16	C	C	.	.	S	Bend	trans	-127.7	-12	-173	66	-37.4	0	0	0	114.2	R266 F290 P317 L318 L428	R266-D292 IonicContact CZ-OD2 3.08Å; R266-D292 IonicContact NE-OD1 2.92Å; R266-D292 PolarHBondContact NE-OD1 3.03Å; R266-D292 IonicContact NE-OD2 3.68Å; R266-D292 PolarHBondContact NE-OD2 2.96Å; R266-D292 IonicContact NH2-OD2 3.47Å; R266-D292 PolarHBondContact NH2-OD2 3.34Å; F290-D292 PolarHBondContact O-N 3.13Å; F290-D292 VanDerWaalsContact O-N 3.17Å; D292-P317 WeakPolarHBondContact O-CA 3.38Å; D292-L318 PolarHBondContact O-N 3.15Å; D292-L428 HydrophobicContact CB-CD2 3.96Å
293	L	88.5	Confident	81.9	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.4	-175.4	61.6	86.3	0	0	0	114.2	F290 L295 H316 L433 L441	F290-L293 HydrophobicContact CB-CD1 3.9Å; F290-L293 HydrophobicContact CB-CG 3.94Å; F290-L293 HydrophobicContact CD2-CD1 3.39Å; F290-L293 HydrophobicContact CD2-CG 4.34Å; F290-L293 HydrophobicContact CE2-CD1 4.18Å; F290-L293 HydrophobicContact CG-CD1 3.91Å; F290-L293 HydrophobicContact CG-CG 4.39Å; F290-L293 PolarHBondContact N-O 3.02Å; L293-L295 HydrophobicContact CD1-CB 3.98Å; L293-H316 WeakPolarHBondContact CA-O 3.41Å; L293-L433 HydrophobicContact CD2-CD1 3.91Å; L293-L441 HydrophobicContact CD2-CD1 4.4Å
294	L	90	Very high	79.5	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.5	169.4	-171.7	75	0	0	0	108.9	V287 L289 C315 H316 L318 L321 I395	V287-L294 HydrophobicContact CG1-CD1 3.63Å; V287-L294 HydrophobicContact CG1-CG 4.14Å; L289-L294 HydrophobicContact CB-CD1 4.2Å; L289-L294 HydrophobicContact CD1-CD1 4Å; L294-C315 WeakPolarHBondContact O-CA 3.13Å; L294-H316 PolarHBondContact N-O 3.08Å; L294-H316 PolarHBondContact O-N 3.49Å; L294-L318 HydrophobicContact CB-CD2 3.92Å; L294-L321 HydrophobicContact CB-CD1 3.82Å; L294-L321 HydrophobicContact CD2-CD1 3.83Å; L294-L321 HydrophobicContact CG-CD1 4.47Å; L294-I395 HydrophobicContact CD2-CD1 3.97Å
295	L	90	Very high	77.3	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.9	-179.6	-177.9	155.5	0	0	0	110	V287 F288 F290 L293 A297 I312	V287-L295 CarbonylContact C-O 3.56Å; V287-L295 WeakPolarHBondContact CA-O 3.26Å; F288-L295 HydrophobicContact CB-CB 4.3Å; F288-L295 HydrophobicContact CB-CD2 4.47Å; F288-L295 HydrophobicContact CD2-CD2 3.64Å; F288-L295 HydrophobicContact CE2-CD2 4.3Å; F288-L295 HydrophobicContact CG-CD2 4.39Å; F288-L295 PolarHBondContact N-O 2.96Å; F288-L295 PolarHBondContact O-N 3.23Å; F290-L295 HydrophobicContact CE2-CB 4.49Å; L293-L295 HydrophobicContact CD1-CB 3.98Å; L295-A297 HydrophobicContact CD2-CB 4.06Å; L295-I312 HydrophobicContact CD1-CD1 3.77Å; L295-I312 HydrophobicContact CD1-CG1 4.46Å; L295-I312 HydrophobicContact CD2-CG1 4.35Å; L295-I312 HydrophobicContact CG-CD1 4.34Å
296	C	90.9	Very high	75	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.9	178.5	-177.2	0	0	0	0	110.1	R285 K313 Y314	R285-C296 VanDerWaalsContact CG-SG 3.59Å; C296-K313 PolarHBondContact O-N 2.99Å; C296-Y314 HydrophobicContact CB-CD1 4.27Å; C296-Y314 HydrophobicContact CB-CD2 3.69Å; C296-Y314 HydrophobicContact CB-CE1 3.91Å; C296-Y314 HydrophobicContact CB-CE2 3.28Å; C296-Y314 HydrophobicContact CB-CG 4.17Å; C296-Y314 VanDerWaalsContact CB-CZ 3.42Å; C296-Y314 PolarHBondContact N-O 3.23Å; C296-Y314 PolarHBondContact O-N 3.08Å; C296-Y314 PolarHBondContact SG-OH 3.13Å
297	A	90	Very high	73.1	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.9	-176.3	0	0	0	0	0	112.8	R285 H286 F288 L295 L310 D311	R285-A297 CarbonylContact C-O 3.46Å; R285-A297 WeakPolarHBondContact CA-O 3.38Å; H286-A297 PolarHBondContact N-O 3.25Å; H286-A297 PolarHBondContact O-N 3.33Å; F288-A297 HydrophobicContact CE2-CB 4.37Å; L295-A297 HydrophobicContact CD2-CB 4.06Å; A297-L310 HydrophobicContact CB-CD2 4.1Å; A297-D311 CarbonylContact C-O 3.43Å; A297-D311 WeakPolarHBondContact CA-O 3.33Å
298	K	87.3	Confident	71.4	Confident	99 Å²	99	58.1 Å²	58.1	43%	0.43	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127	170.4	-177.7	-173.5	177.7	-175.7	0	108.5	K300 D311 K313	K298-K300 PolarHBondContact O-N 3.48Å; K298-D311 HydrophobicContact CB-CB 4.45Å; K298-D311 PolarHBondContact N-O 3.14Å; K298-D311 PolarHBondContact O-N 2.97Å; K298-K313 HydrophobicContact CB-CG 4.39Å
299	M	75.5	Confident	70.4	Confident	58 Å²	58	63 Å²	63	29%	0.286	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.9	168.8	-69.6	-158.3	-58.5	0	0	110.3	F273 L310	F273-M299 HydrophobicContact CE1-CE 3.47Å; F273-M299 VanDerWaalsContact CE1-CE 3.47Å; F273-M299 HydrophobicContact CE1-CG 4.3Å; F273-M299 HydrophobicContact CE1-SD 4.12Å; F273-M299 HydrophobicContact CE2-CE 4.43Å; F273-M299 HydrophobicContact CZ-CE 3.29Å; F273-M299 HydrophobicContact CZ-SD 3.81Å; M299-L310 HydrophobicContact CG-CD2 3.67Å
300	K	73.2	Confident	69.9	Low	86 Å²	86	63.8 Å²	63.8	37%	0.374	36%	0.358	S	S	.	.			trans	-82.9	133	166.1	-70.5	-176.9	-173.5	167.5	0	109.3	K298 T302 E309 D311	K298-K300 PolarHBondContact O-N 3.48Å; K300-T302 PolarHBondContact O-N 3.41Å; K300-E309 HydrophobicContact CB-CB 4.45Å; K300-E309 WeakPolarHBondContact CB-O 3.37Å; K300-E309 HydrophobicContact CD-CB 4.31Å; K300-E309 WeakPolarHBondContact CD-OE2 3.25Å; K300-E309 PolarHBondContact N-O 3.24Å; K300-E309 IonicContact NZ-OE1 3.67Å; K300-E309 IonicContact NZ-OE2 3.88Å; K300-E309 PolarHBondContact NZ-OE2 3.04Å; K300-D311 HydrophobicContact CG-CB 4.35Å
301	K	59.9	Low	69.7	Low	186 Å²	186	66.4 Å²	66.4	81%	0.809	37%	0.372	S	S	*	.			trans	-78	100.1	168	-67	-174.9	177.8	-175.4	0	107.7
302	T	49.2	Very low	69.7	Low	53 Å²	53	66.1 Å²	66.1	33%	0.325	37%	0.368	S	S	.	.			trans	-80.4	152	170	31.7	0	0	0	0	110.7	K300 Q306	K300-T302 PolarHBondContact O-N 3.41Å; T302-Q306 PolarHBondContact OG1-O 3.32Å
303	A	41.9	Very low	69.9	Low	88 Å²	88	68.9 Å²	68.9	73%	0.727	38%	0.379	S	S	*	.			trans	-65.2	153.9	170.8	0	0	0	0	0	110.2	G305	A303-G305 PolarHBondContact O-N 2.89Å
304	V	38.8	Very low	69.9	Low	153 Å²	153	70 Å²	70	93%	0.927	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.7	121.6	-174.2	-178.9	0	0	0	0	111.5
305	G	42.6	Very low	69.7	Low	79 Å²	79	71.3 Å²	71.3	81%	0.814	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.8	3.5	172.2	0	0	0	0	0	117.4	A303	A303-G305 PolarHBondContact O-N 2.89Å
306	Q	41	Very low	69.6	Low	148 Å²	148	72.3 Å²	72.3	69%	0.692	40%	0.397	S	S	*	.	S	Bend	trans	-122.6	131.4	171.6	-74.4	-172.5	-12.8	0	0	112	T302 S308	T302-Q306 PolarHBondContact OG1-O 3.32Å; Q306-S308 PolarHBondContact O-N 3.04Å
307	N	48	Very low	69.4	Low	133 Å²	133	73 Å²	73	71%	0.711	40%	0.402	S	S	*	.			trans	-42.2	131.6	177.2	-67.7	-10.8	0	0	0	111.7	E309	N307-E309 PolarHBondContact O-N 3.35Å; N307-E309 VanDerWaalsContact O-N 3.13Å
308	S	56.7	Low	69.3	Low	51 Å²	51	73 Å²	73	36%	0.357	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61.5	117.2	-178.1	-46.7	0	0	0	0	110.4	Q306	Q306-S308 PolarHBondContact O-N 3.04Å
309	E	67.1	Low	69.1	Low	104 Å²	104	70.4 Å²	70.4	49%	0.486	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-81.8	127.6	-178.8	-166.4	-174.8	-159.3	0	0	110.4	K300 N307	K300-E309 HydrophobicContact CB-CB 4.45Å; K300-E309 WeakPolarHBondContact CB-O 3.37Å; K300-E309 HydrophobicContact CD-CB 4.31Å; K300-E309 WeakPolarHBondContact CD-OE2 3.25Å; K300-E309 PolarHBondContact N-O 3.24Å; K300-E309 IonicContact NZ-OE1 3.67Å; K300-E309 IonicContact NZ-OE2 3.88Å; K300-E309 PolarHBondContact NZ-OE2 3.04Å; N307-E309 PolarHBondContact O-N 3.35Å; N307-E309 VanDerWaalsContact O-N 3.13Å
310	L	78.9	Confident	69.5	Low	16 Å²	16	68.6 Å²	68.6	8%	0.084	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.6	173.1	-76.6	168.5	0	0	0	109.9	F288 A297 M299 T442 C445	F288-L310 HydrophobicContact CE2-CD1 4.42Å; F288-L310 HydrophobicContact CZ-CD1 4.11Å; A297-L310 HydrophobicContact CB-CD2 4.1Å; M299-L310 HydrophobicContact CG-CD2 3.67Å; L310-T442 HydrophobicContact CB-CG2 3.74Å; L310-T442 WeakPolarHBondContact O-CG2 3.4Å; L310-C445 HydrophobicContact CD1-CB 3.79Å
311	D	83.7	Confident	70.2	Confident	54 Å²	54	64.8 Å²	64.8	29%	0.289	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.6	176.4	-180	27.7	0	0	0	109.8	A297 K298 K300 K313	A297-D311 CarbonylContact C-O 3.43Å; A297-D311 WeakPolarHBondContact CA-O 3.33Å; K298-D311 HydrophobicContact CB-CB 4.45Å; K298-D311 PolarHBondContact N-O 3.14Å; K298-D311 PolarHBondContact O-N 2.97Å; K300-D311 HydrophobicContact CG-CB 4.35Å; D311-K313 PolarHBondContact O-N 2.83Å; D311-K313 WeakPolarHBondContact OD2-CE 3.2Å; D311-K313 IonicContact OD2-NZ 3.85Å; D311-K313 PolarHBondContact OD2-NZ 3.27Å
312	I	86.4	Confident	71.3	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.205	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	128.5	179.5	-65.1	-174.6	0	0	0	109.9	L295 L438 T442	L295-I312 HydrophobicContact CD1-CD1 3.77Å; L295-I312 HydrophobicContact CD1-CG1 4.46Å; L295-I312 HydrophobicContact CD2-CG1 4.35Å; L295-I312 HydrophobicContact CG-CD1 4.34Å; I312-L438 HydrophobicContact CD1-CB 4.36Å; I312-L438 HydrophobicContact CD1-CD2 3.9Å; I312-T442 WeakPolarHBondContact CD1-OG1 3.4Å; I312-T442 HydrophobicContact CG1-CG2 4.36Å; I312-T442 WeakPolarHBondContact CG1-OG1 3.4Å
313	K	89.1	Confident	72.8	Confident	88 Å²	88	58.5 Å²	58.5	38%	0.383	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-41.9	174.1	-63.9	-48.7	-172.6	-168.2	0	112.7	C296 K298 D311	C296-K313 PolarHBondContact O-N 2.99Å; K298-K313 HydrophobicContact CB-CG 4.39Å; D311-K313 PolarHBondContact O-N 2.83Å; D311-K313 WeakPolarHBondContact OD2-CE 3.2Å; D311-K313 IonicContact OD2-NZ 3.85Å; D311-K313 PolarHBondContact OD2-NZ 3.27Å
314	Y	87.5	Confident	74	Confident	26 Å²	26	57.3 Å²	57.3	10%	0.102	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	159.7	172.9	49	-91.3	0	0	0	110.3	E276 C296 H316 Y403 F405	E276-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E276-Y314 PolarHBondContact OE1-OH 3.49Å; C296-Y314 HydrophobicContact CB-CD1 4.27Å; C296-Y314 HydrophobicContact CB-CD2 3.69Å; C296-Y314 HydrophobicContact CB-CE1 3.91Å; C296-Y314 HydrophobicContact CB-CE2 3.28Å; C296-Y314 HydrophobicContact CB-CG 4.17Å; C296-Y314 VanDerWaalsContact CB-CZ 3.42Å; C296-Y314 PolarHBondContact N-O 3.23Å; C296-Y314 PolarHBondContact O-N 3.08Å; C296-Y314 PolarHBondContact SG-OH 3.13Å; Y314-H316 AromaticContact CD2-CD2 3.59Å; Y314-H316 AromaticContact CD2-NE2 3.62Å; Y314-Y403 HydrophobicContact CD1-CD1 4.39Å; Y314-Y403 AromaticContact CD1-CE1 3.64Å; Y314-Y403 HydrophobicContact CD1-CE1 3.64Å; Y314-Y403 HydrophobicContact CD2-CD1 4.49Å; Y314-Y403 AromaticContact CD2-CE1 3.93Å; Y314-Y403 HydrophobicContact CD2-CE1 3.93Å; Y314-Y403 AromaticContact CE1-CD1 3.73Å; Y314-Y403 HydrophobicContact CE1-CD1 3.73Å; Y314-Y403 AromaticContact CE1-CE1 3.42Å; Y314-Y403 HydrophobicContact CE1-CE1 3.42Å; Y314-Y403 VanDerWaalsContact CE1-CE1 3.42Å; Y314-Y403 AromaticContact CE2-CD1 3.82Å; Y314-Y403 HydrophobicContact CE2-CD1 3.82Å; Y314-Y403 AromaticContact CE2-CE1 3.71Å; Y314-Y403 HydrophobicContact CE2-CE1 3.71Å; Y314-Y403 HydrophobicContact CE2-CG 4.37Å; Y314-Y403 AromaticContact CG-CE1 3.88Å; Y314-Y403 HydrophobicContact CG-CE1 3.88Å; Y314-Y403 AromaticContact CZ-CD1 3.38Å; Y314-Y403 AromaticContact CZ-CE1 3.44Å; Y314-Y403 VanDerWaalsContact CZ-CE1 3.44Å; Y314-Y403 WeakPolarHBondContact OH-CD1 3.33Å; Y314-F405 WeakPolarHBondContact OH-CZ 3.28Å
315	C	86.9	Confident	74.7	Confident	33 Å²	33	54.9 Å²	54.9	22%	0.223	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.3	173.4	179.6	0	0	0	0	107.2	L294 L438	L294-C315 WeakPolarHBondContact O-CA 3.13Å; C315-L438 HydrophobicContact CB-CD2 4.17Å
316	H	87.7	Confident	74.8	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.102	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134	178.9	-65.5	-63.6	0	0	0	110.8	L293 L294 Y314 L321 Y403	L293-H316 WeakPolarHBondContact CA-O 3.41Å; L294-H316 PolarHBondContact N-O 3.08Å; L294-H316 PolarHBondContact O-N 3.49Å; Y314-H316 AromaticContact CD2-CD2 3.59Å; Y314-H316 AromaticContact CD2-NE2 3.62Å; H316-L321 HydrophobicContact CB-CD2 3.66Å; H316-L321 HydrophobicContact CB-CG 4.27Å; H316-Y403 AromaticContact CD2-CE2 3.82Å; H316-Y403 PolarHBondContact CE1-OH 3.38Å; H316-Y403 AromaticContact NE2-CE2 3.24Å; H316-Y403 WeakPolarHBondContact NE2-CE2 3.44Å; H316-Y403 AromaticContact NE2-CZ 3.17Å; H316-Y403 PolarHBondContact NE2-OH 3.43Å
317	P	86.9	Confident	74.8	Confident	16 Å²	16	57.1 Å²	57.1	10%	0.104	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	140.9	168.1	-23.2	35.2	0	0	0	110.7	D292 A319 D320 C431	D292-P317 WeakPolarHBondContact O-CA 3.38Å; P317-A319 PolarHBondContact O-N 3.45Å; P317-D320 HydrophobicContact CB-CB 4.47Å; P317-D320 WeakPolarHBondContact O-CB 3.3Å; P317-D320 PolarHBondContact O-N 2.9Å; P317-C431 WeakPolarHBondContact CG-O 3.39Å
318	L	86.8	Confident	74.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.4	-28.5	178.6	-62.5	-175.1	0	0	0	112.3	L289 D292 L294 D320 L321 I420 L423 Q424 L428	L289-L318 HydrophobicContact CD1-CD1 3.93Å; L289-L318 HydrophobicContact CD1-CD2 3.75Å; L289-L318 HydrophobicContact CD1-CG 4.45Å; D292-L318 PolarHBondContact O-N 3.15Å; L294-L318 HydrophobicContact CB-CD2 3.92Å; L318-D320 PolarHBondContact O-N 2.86Å; L318-L321 HydrophobicContact CD2-CD1 3.8Å; L318-L321 PolarHBondContact O-N 3.48Å; L318-I420 HydrophobicContact CD2-CG2 4.34Å; L318-L423 HydrophobicContact CD1-CB 3.5Å; L318-L423 VanDerWaalsContact CD1-CB 3.5Å; L318-L423 HydrophobicContact CD1-CD1 3.95Å; L318-L423 HydrophobicContact CD1-CG 4.39Å; L318-Q424 HydrophobicContact CB-CG 4.11Å; L318-Q424 PolarHBondContact O-NE2 2.76Å; L318-L428 HydrophobicContact CB-CD1 4.46Å
319	A	82.8	Confident	74.2	Confident	45 Å²	45	59.3 Å²	59.3	37%	0.372	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.4	172.8	0	0	0	0	0	113.3	P317 L428	P317-A319 PolarHBondContact O-N 3.45Å; A319-L428 HydrophobicContact CB-CB 3.88Å; A319-L428 WeakPolarHBondContact CB-O 3.21Å
320	D	85.4	Confident	73.4	Confident	20 Å²	20	60 Å²	60	11%	0.107	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-92.9	-6.9	-176	-65.7	-12.1	0	0	0	112.2	P317 L318 N397 K398	P317-D320 HydrophobicContact CB-CB 4.47Å; P317-D320 WeakPolarHBondContact O-CB 3.3Å; P317-D320 PolarHBondContact O-N 2.9Å; L318-D320 PolarHBondContact O-N 2.86Å; D320-N397 CarbonylContact O-C 3.57Å; D320-N397 VanDerWaalsContact O-CA 3.24Å; D320-N397 WeakPolarHBondContact O-CA 3.31Å; D320-K398 HydrophobicContact CB-CB 4.47Å; D320-K398 HydrophobicContact CB-CD 4.01Å; D320-K398 HydrophobicContact CB-CG 4.02Å; D320-K398 VanDerWaalsContact CG-CD 3.48Å; D320-K398 PolarHBondContact O-N 3.49Å; D320-K398 VanDerWaalsContact OD1-CD 3.26Å; D320-K398 WeakPolarHBondContact OD1-CD 3.14Å; D320-K398 VanDerWaalsContact OD1-CE 3.27Å; D320-K398 WeakPolarHBondContact OD1-CE 3.32Å; D320-K398 IonicContact OD1-NZ 2.73Å; D320-K398 PolarHBondContact OD1-NZ 2.95Å; D320-K398 WeakPolarHBondContact OD2-CE 3.42Å; D320-K398 IonicContact OD2-NZ 2.83Å; D320-K398 PolarHBondContact OD2-NZ 3.37Å
321	L	86.8	Confident	72.2	Confident	5 Å²	5	64 Å²	64	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.4	-178.5	-62.5	-177.1	0	0	0	111.1	L294 H316 L318 I395 H396 Q424	L294-L321 HydrophobicContact CB-CD1 3.82Å; L294-L321 HydrophobicContact CD2-CD1 3.83Å; L294-L321 HydrophobicContact CG-CD1 4.47Å; H316-L321 HydrophobicContact CB-CD2 3.66Å; H316-L321 HydrophobicContact CB-CG 4.27Å; L318-L321 HydrophobicContact CD2-CD1 3.8Å; L318-L321 PolarHBondContact O-N 3.48Å; L321-I395 HydrophobicContact CB-CG2 3.99Å; L321-I395 HydrophobicContact CD1-CG2 4.15Å; L321-I395 HydrophobicContact CD2-CG2 3.78Å; L321-I395 HydrophobicContact CG-CG2 4.18Å; L321-H396 CarbonylContact C-O 3.51Å; L321-H396 WeakPolarHBondContact CA-O 3.31Å; L321-Q424 PolarHBondContact O-NE2 3.17Å
322	T	82.9	Confident	70.7	Confident	73 Å²	73	63 Å²	63	45%	0.448	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.9	174	54.1	0	0	0	0	109.4	H396	T322-H396 PolarHBondContact N-O 3.39Å; T322-H396 PolarHBondContact O-N 2.67Å; T322-H396 PolarHBondContact OG1-O 3.21Å
323	F	81.3	Confident	69.4	Low	34 Å²	34	63.9 Å²	63.9	15%	0.149	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-96.8	140.1	170.7	-61	-80.1	0	0	0	107.8	T325 F393 I395 K417 I420 Q421	F323-T325 PolarHBondContact O-N 2.83Å; F323-F393 HydrophobicContact CD1-CE2 4.15Å; F323-F393 AromaticContact CE1-CE2 3.73Å; F323-F393 HydrophobicContact CE1-CE2 3.73Å; F323-F393 AromaticContact CE1-CZ 3.74Å; F323-F393 HydrophobicContact CE1-CZ 3.74Å; F323-I395 HydrophobicContact CE1-CG1 4.38Å; F323-K417 HydrophobicContact CD1-CG 4.33Å; F323-K417 HydrophobicContact CE1-CG 4.08Å; F323-K417 HydrophobicContact CZ-CG 4.22Å; F323-I420 HydrophobicContact CE2-CG2 3.99Å; F323-I420 HydrophobicContact CZ-CB 3.88Å; F323-I420 HydrophobicContact CZ-CD1 4.25Å; F323-I420 HydrophobicContact CZ-CG2 3.58Å; F323-Q421 HydrophobicContact CD2-CG 4.15Å; F323-Q421 HydrophobicContact CE2-CG 3.55Å; F323-Q421 HydrophobicContact CZ-CG 4.24Å
324	Q	66.9	Low	68	Low	64 Å²	64	65 Å²	65	30%	0.299	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-54.9	128.8	178.2	-165.3	170.7	5.7	0	0	110.6	D328	Q324-D328 PolarHBondContact NE2-O 3.41Å
325	T	52.4	Low	67.1	Low	101 Å²	101	65.6 Å²	65.6	62%	0.62	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-92.5	152.7	165.7	46.6	0	0	0	0	109.4	F323 D327	F323-T325 PolarHBondContact O-N 2.83Å; T325-D327 PolarHBondContact O-N 3.45Å
326	L	45.6	Very low	66.2	Low	127 Å²	127	71.5 Å²	71.5	67%	0.665	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-11.4	-165.9	-74.8	152.4	0	0	0	117	M544	L326-M544 HydrophobicContact CD1-SD 3.89Å; L326-M544 HydrophobicContact CD2-SD 4.41Å
327	D	41.1	Very low	65.5	Low	148 Å²	148	74.6 Å²	74.6	79%	0.791	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.6	-167.8	-69.1	-30.4	0	0	0	115.9	T325	T325-D327 PolarHBondContact O-N 3.45Å
328	D	48.3	Very low	65	Low	109 Å²	109	75.4 Å²	75.4	58%	0.583	44%	0.441	S	S	*	.			trans	-98.3	107	-176.5	-76.3	-31	0	0	0	112.9	Q324 D330	Q324-D328 PolarHBondContact NE2-O 3.41Å; D328-D330 VanDerWaalsContact C-N 3.27Å; D328-D330 PolarHBondContact O-N 3.05Å
329	S	44.1	Very low	64.5	Low	121 Å²	121	78.2 Å²	78.2	85%	0.846	46%	0.459	S	S	*	.			trans	-76.5	52.5	-175.8	65.4	0	0	0	0	114.8
330	D	50.1	Low	63.9	Low	119 Å²	119	78.9 Å²	78.9	64%	0.636	45%	0.454	S	S	*	.			trans	-88.7	110.1	168.7	-84.7	-15.7	0	0	0	109.7	D328 C332 R394	D328-D330 VanDerWaalsContact C-N 3.27Å; D328-D330 PolarHBondContact O-N 3.05Å; D330-C332 PolarHBondContact O-N 3.34Å; D330-R394 PolarHBondContact O-NH1 3.22Å
331	S	53.4	Low	63.1	Low	98 Å²	98	81.5 Å²	81.5	69%	0.685	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-52.6	131.5	176.4	50.3	0	0	0	0	110.4
332	C	51.6	Low	62.7	Low	33 Å²	33	84.8 Å²	84.8	22%	0.223	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-63.9	128	176.5	-164.1	0	0	0	0	109.1	D330 S334 R394 D548	D330-C332 PolarHBondContact O-N 3.34Å; C332-S334 PolarHBondContact O-N 3.33Å; C332-R394 PolarHBondContact SG-NH2 3.47Å; C332-D548 WeakPolarHBondContact CB-OD2 3.46Å; C332-D548 PolarHBondContact N-OD2 3.42Å
333	P	60.2	Low	62.5	Low	60 Å²	60	81.9 Å²	81.9	39%	0.39	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-56	135	169.4	22.1	-30.9	0	0	0	108.6	L277 I335 L404	L277-P333 HydrophobicContact CD2-CB 4.42Å; L277-P333 HydrophobicContact CD2-CG 3.96Å; P333-I335 PolarHBondContact O-N 3.06Å; P333-L404 HydrophobicContact CG-CD2 3.88Å
334	S	60.4	Low	62	Low	112 Å²	112	81.9 Å²	81.9	78%	0.783	46%	0.463	S	S	*	.			trans	-53.5	110.5	178	179.5	0	0	0	0	109.5	C332 Q336	C332-S334 PolarHBondContact O-N 3.33Å; S334-Q336 PolarHBondContact O-N 2.79Å
335	I	68.3	Low	62.5	Low	37 Å²	37	83.1 Å²	83.1	19%	0.19	47%	0.469	C	S	.	.			trans	-76.7	111.1	178.9	-59.7	169.3	0	0	0	106.4	P333 V337 L406	P333-I335 PolarHBondContact O-N 3.06Å; I335-V337 HydrophobicContact CG2-CG2 4.25Å; I335-V337 PolarHBondContact O-N 3.26Å; I335-L406 HydrophobicContact CD1-CD2 3.76Å; I335-L406 HydrophobicContact CG1-CD2 4.4Å; I335-L406 HydrophobicContact CG2-CD1 4.04Å; I335-L406 HydrophobicContact CG2-CD2 4.48Å
336	Q	67.6	Low	63.8	Low	158 Å²	158	79.1 Å²	79.1	74%	0.738	44%	0.443	S	S	*	.			trans	-67	105.7	169.2	-71.9	-176.3	-7.2	0	0	108.3	R282 S334	R282-Q336 PolarHBondContact NE-O 3.08Å; R282-Q336 PolarHBondContact NH2-O 2.92Å; S334-Q336 PolarHBondContact O-N 2.79Å
337	V	72.8	Confident	65.1	Low	87 Å²	87	73.5 Å²	73.5	53%	0.527	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-87.3	127.9	174.7	-177.2	0	0	0	0	107.8	I335 T390	I335-V337 HydrophobicContact CG2-CG2 4.25Å; I335-V337 PolarHBondContact O-N 3.26Å; V337-T390 HydrophobicContact CG1-CG2 3.96Å; V337-T390 HydrophobicContact CG2-CG2 4.07Å
338	L	76.2	Confident	66.6	Low	33 Å²	33	68.3 Å²	68.3	17%	0.173	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.3	136.2	172.3	-153.5	90.5	0	0	0	108	E340 E342 I343 M346 H387	L338-E340 PolarHBondContact O-N 2.88Å; L338-E342 WeakPolarHBondContact CD1-OE2 3.45Å; L338-E342 HydrophobicContact CD2-CB 3.46Å; L338-E342 VanDerWaalsContact CD2-CB 3.46Å; L338-E342 HydrophobicContact CD2-CG 4.45Å; L338-E342 WeakPolarHBondContact CD2-OE2 3.23Å; L338-E342 HydrophobicContact CG-CB 4.07Å; L338-E342 WeakPolarHBondContact CG-OE2 3.29Å; L338-I343 HydrophobicContact CB-CG1 4.37Å; L338-I343 HydrophobicContact CD2-CG1 4.07Å; L338-M346 HydrophobicContact CD2-CE 3.4Å; L338-M346 VanDerWaalsContact CD2-CE 3.4Å; L338-H387 HydrophobicContact CB-CB 4.2Å; L338-H387 HydrophobicContact CD1-CB 4.47Å; L338-H387 HydrophobicContact CD2-CB 4.08Å; L338-H387 HydrophobicContact CG-CB 4.5Å
339	P	75.8	Confident	68	Low	59 Å²	59	67.3 Å²	67.3	38%	0.383	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-53	138.7	175.5	-28.7	36.8	0	0	0	112	H341 E342 I343	P339-H341 WeakPolarHBondContact CB-CE1 3.3Å; P339-H341 WeakPolarHBondContact CB-ND1 3.3Å; P339-H341 PolarHBondContact O-N 3.03Å; P339-E342 HydrophobicContact CB-CG 4.49Å; P339-E342 PolarHBondContact O-N 3.16Å; P339-I343 PolarHBondContact O-N 2.98Å
340	E	69.8	Low	69.6	Low	59 Å²	59	61.6 Å²	61.6	28%	0.276	34%	0.335	S	S	.	.	H	α-helix	trans	-58.4	-27.9	-175.1	-168.5	165.4	177.1	0	0	112.8	L338 E342 I343 E344 R649 N761	L338-E340 PolarHBondContact O-N 2.88Å; E340-E342 PolarHBondContact O-N 2.87Å; E340-I343 WeakPolarHBondContact O-CB 3.38Å; E340-I343 PolarHBondContact O-N 3.29Å; E340-E344 PolarHBondContact O-N 3.47Å; E340-R649 IonicContact OE1-CZ 3.21Å; E340-R649 VanDerWaalsContact OE1-CZ 3.3Å; E340-R649 IonicContact OE1-NE 3.26Å; E340-R649 IonicContact OE1-NH2 3.06Å; E340-R649 PolarHBondContact OE1-NH2 3.12Å; E340-N761 WeakPolarHBondContact CB-OD1 3.4Å; E340-N761 PolarHBondContact OE2-ND2 3.48Å; E340-N761 PolarHBondContact OE2-OD1 3.11Å; E340-N761 VanDerWaalsContact OE2-OD1 3.07Å
341	H	70.1	Confident	70.6	Confident	74 Å²	74	56.3 Å²	56.3	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-36.6	176	74.6	-91.8	0	0	0	114.4	P339 I343 E344 E345 H760	P339-H341 WeakPolarHBondContact CB-CE1 3.3Å; P339-H341 WeakPolarHBondContact CB-ND1 3.3Å; P339-H341 PolarHBondContact O-N 3.03Å; H341-I343 VanDerWaalsContact C-N 3.33Å; H341-E344 PolarHBondContact O-N 3.2Å; H341-E345 WeakPolarHBondContact O-CB 3.41Å; H341-E345 PolarHBondContact O-N 3.02Å; H341-H760 VanDerWaalsContact CA-NE2 3.35Å; H341-H760 WeakPolarHBondContact CA-NE2 3.36Å; H341-H760 HydrophobicContact CB-CB 4.18Å; H341-H760 WeakPolarHBondContact CB-CD2 3.14Å; H341-H760 WeakPolarHBondContact CB-CE1 3.49Å; H341-H760 VanDerWaalsContact CB-ND1 3.3Å; H341-H760 WeakPolarHBondContact CB-ND1 3.44Å; H341-H760 WeakPolarHBondContact CB-NE2 3.43Å
342	E	78.9	Confident	71.6	Confident	74 Å²	74	54.5 Å²	54.5	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-72.2	-34.6	177	-63.8	-177.8	-150.6	0	0	110.3	L338 P339 E340 E345 M346	L338-E342 WeakPolarHBondContact CD1-OE2 3.45Å; L338-E342 HydrophobicContact CD2-CB 3.46Å; L338-E342 VanDerWaalsContact CD2-CB 3.46Å; L338-E342 HydrophobicContact CD2-CG 4.45Å; L338-E342 WeakPolarHBondContact CD2-OE2 3.23Å; L338-E342 HydrophobicContact CG-CB 4.07Å; L338-E342 WeakPolarHBondContact CG-OE2 3.29Å; P339-E342 HydrophobicContact CB-CG 4.49Å; P339-E342 PolarHBondContact O-N 3.16Å; E340-E342 PolarHBondContact O-N 2.87Å; E342-E345 PolarHBondContact O-N 3.49Å; E342-M346 WeakPolarHBondContact O-CE 3.23Å; E342-M346 WeakPolarHBondContact O-CG 3.43Å; E342-M346 PolarHBondContact O-N 2.92Å
343	I	77.3	Confident	72.8	Confident	13 Å²	13	54 Å²	54	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-46.2	171.4	-61.3	179.7	0	0	0	110.1	L338 P339 E340 H341 M346 K347 L384	L338-I343 HydrophobicContact CB-CG1 4.37Å; L338-I343 HydrophobicContact CD2-CG1 4.07Å; P339-I343 PolarHBondContact O-N 2.98Å; E340-I343 WeakPolarHBondContact O-CB 3.38Å; E340-I343 PolarHBondContact O-N 3.29Å; H341-I343 VanDerWaalsContact C-N 3.33Å; I343-M346 HydrophobicContact CG1-CE 4.45Å; I343-M346 WeakPolarHBondContact O-CB 3.2Å; I343-M346 PolarHBondContact O-N 3.46Å; I343-K347 WeakPolarHBondContact O-CG 3.44Å; I343-K347 PolarHBondContact O-N 3.41Å; I343-K347 VanDerWaalsContact O-N 3.11Å; I343-L384 HydrophobicContact CG2-CD1 3.61Å
344	E	71.8	Confident	73.5	Confident	34 Å²	34	54 Å²	54	16%	0.159	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-41	178.7	-157.5	53.8	-134.2	0	0	111.9	E340 H341 M346 K347 M348	E340-E344 PolarHBondContact O-N 3.47Å; H341-E344 PolarHBondContact O-N 3.2Å; E344-M346 VanDerWaalsContact C-N 3.29Å; E344-M346 PolarHBondContact O-N 3.15Å; E344-K347 PolarHBondContact O-N 3.04Å; E344-K347 WeakPolarHBondContact OE2-CD 3.48Å; E344-K347 IonicContact OE2-NZ 3.94Å; E344-K347 PolarHBondContact OE2-NZ 3.37Å; E344-M348 WeakPolarHBondContact O-CB 3.38Å; E344-M348 WeakPolarHBondContact O-CG 3.34Å; E344-M348 PolarHBondContact O-N 3.49Å
345	E	76.2	Confident	73.9	Confident	90 Å²	90	49.9 Å²	49.9	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-59.4	-39	174.3	-165.3	-168.8	154.3	0	0	112.2	H341 E342 M348 K349	H341-E345 WeakPolarHBondContact O-CB 3.41Å; H341-E345 PolarHBondContact O-N 3.02Å; E342-E345 PolarHBondContact O-N 3.49Å; E345-M348 PolarHBondContact O-N 3.19Å; E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 3.42Å; E345-K349 WeakPolarHBondContact OE1-CE 3.38Å; E345-K349 IonicContact OE1-NZ 2.73Å; E345-K349 PolarHBondContact OE1-NZ 3.13Å
346	M	79.4	Confident	74.4	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-46.8	173.9	-78	-174.2	-87.5	0	0	112.2	L338 E342 I343 E344 M348 K349 I350 W383 L384 H387	L338-M346 HydrophobicContact CD2-CE 3.4Å; L338-M346 VanDerWaalsContact CD2-CE 3.4Å; E342-M346 WeakPolarHBondContact O-CE 3.23Å; E342-M346 WeakPolarHBondContact O-CG 3.43Å; E342-M346 PolarHBondContact O-N 2.92Å; I343-M346 HydrophobicContact CG1-CE 4.45Å; I343-M346 WeakPolarHBondContact O-CB 3.2Å; I343-M346 PolarHBondContact O-N 3.46Å; E344-M346 VanDerWaalsContact C-N 3.29Å; E344-M346 PolarHBondContact O-N 3.15Å; M346-M348 VanDerWaalsContact C-N 3.25Å; M346-M348 PolarHBondContact O-N 2.88Å; M346-K349 PolarHBondContact O-N 2.98Å; M346-I350 VanDerWaalsContact O-CG1 3.32Å; M346-I350 WeakPolarHBondContact O-CG1 3.45Å; M346-I350 PolarHBondContact O-N 3.34Å; M346-W383 HydrophobicContact SD-CB 3.62Å; M346-L384 HydrophobicContact CB-CD1 4.38Å; M346-L384 HydrophobicContact SD-CB 4.45Å; M346-H387 HydrophobicContact CE-CB 4.45Å
347	K	74.8	Confident	74.8	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-40.8	176.6	-68	176.6	-166.5	160.4	0	111.7	I343 E344 I350 S351 L384	I343-K347 WeakPolarHBondContact O-CG 3.44Å; I343-K347 PolarHBondContact O-N 3.41Å; I343-K347 VanDerWaalsContact O-N 3.11Å; E344-K347 PolarHBondContact O-N 3.04Å; E344-K347 WeakPolarHBondContact OE2-CD 3.48Å; E344-K347 IonicContact OE2-NZ 3.94Å; E344-K347 PolarHBondContact OE2-NZ 3.37Å; K347-I350 WeakPolarHBondContact O-CB 3.32Å; K347-I350 PolarHBondContact O-N 3.49Å; K347-S351 PolarHBondContact O-N 2.8Å; K347-L384 HydrophobicContact CG-CD1 4.27Å; K347-L384 HydrophobicContact CG-CD2 3.85Å
348	M	70.6	Confident	74.8	Confident	39 Å²	39	45.6 Å²	45.6	19%	0.192	22%	0.224	C	C	.	.	H	α-helix	trans	-64.5	-45.4	177.8	-70.3	-66.2	-65.3	0	0	112	E344 E345 M346 I350 S351 V352 S792 M796	E344-M348 WeakPolarHBondContact O-CB 3.38Å; E344-M348 WeakPolarHBondContact O-CG 3.34Å; E344-M348 PolarHBondContact O-N 3.49Å; E345-M348 PolarHBondContact O-N 3.19Å; M346-M348 VanDerWaalsContact C-N 3.25Å; M346-M348 PolarHBondContact O-N 2.88Å; M348-I350 VanDerWaalsContact C-N 3.28Å; M348-I350 PolarHBondContact O-N 2.94Å; M348-S351 WeakPolarHBondContact O-CB 3.34Å; M348-S351 PolarHBondContact O-N 2.85Å; M348-V352 WeakPolarHBondContact O-CG2 3.47Å; M348-V352 PolarHBondContact O-N 2.78Å; M348-S792 VanDerWaalsContact CE-O 3.29Å; M348-S792 WeakPolarHBondContact CE-O 3.44Å; M348-M796 HydrophobicContact CE-CG 3.86Å
349	K	79.6	Confident	74.7	Confident	87 Å²	87	49.2 Å²	49.2	38%	0.378	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-41.6	173.1	-73.8	170.1	-175.5	163.3	0	111.5	E345 M346 V352 L353 Q380	E345-K349 WeakPolarHBondContact O-CG 3.41Å; E345-K349 PolarHBondContact O-N 3.42Å; E345-K349 WeakPolarHBondContact OE1-CE 3.38Å; E345-K349 IonicContact OE1-NZ 2.73Å; E345-K349 PolarHBondContact OE1-NZ 3.13Å; M346-K349 PolarHBondContact O-N 2.98Å; K349-V352 PolarHBondContact O-N 3.42Å; K349-L353 WeakPolarHBondContact O-CB 3.38Å; K349-L353 WeakPolarHBondContact O-CD1 3.35Å; K349-L353 WeakPolarHBondContact O-CG 3.22Å; K349-L353 PolarHBondContact O-N 2.94Å; K349-Q380 HydrophobicContact CB-CG 4.2Å
350	I	76.7	Confident	74.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-47.6	175.2	-66.6	161.1	0	0	0	110.3	M346 K347 M348 V352 L353 K354 M377 Q380 E381 L384	M346-I350 VanDerWaalsContact O-CG1 3.32Å; M346-I350 WeakPolarHBondContact O-CG1 3.45Å; M346-I350 PolarHBondContact O-N 3.34Å; K347-I350 WeakPolarHBondContact O-CB 3.32Å; K347-I350 PolarHBondContact O-N 3.49Å; M348-I350 VanDerWaalsContact C-N 3.28Å; M348-I350 PolarHBondContact O-N 2.94Å; I350-V352 PolarHBondContact O-N 3.36Å; I350-L353 PolarHBondContact O-N 3.26Å; I350-K354 HydrophobicContact CG2-CD 4.44Å; I350-K354 WeakPolarHBondContact O-CG 3.33Å; I350-K354 PolarHBondContact O-N 2.76Å; I350-M377 HydrophobicContact CG2-CG 4.24Å; I350-Q380 HydrophobicContact CD1-CB 4.19Å; I350-Q380 HydrophobicContact CG1-CB 3.55Å; I350-E381 HydrophobicContact CD1-CB 4.47Å; I350-E381 HydrophobicContact CD1-CG 3.82Å; I350-E381 HydrophobicContact CG1-CG 4.02Å; I350-E381 HydrophobicContact CG2-CG 4.16Å; I350-L384 HydrophobicContact CD1-CB 4.22Å; I350-L384 HydrophobicContact CD1-CD2 3.76Å
351	S	71.3	Confident	74.5	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-46.1	178.5	-172.5	0	0	0	0	112.5	K347 M348 K354 N355	K347-S351 PolarHBondContact O-N 2.8Å; M348-S351 WeakPolarHBondContact O-CB 3.34Å; M348-S351 PolarHBondContact O-N 2.85Å; S351-K354 PolarHBondContact O-N 2.81Å; S351-N355 PolarHBondContact O-N 2.83Å; S351-N355 VanDerWaalsContact O-N 3.09Å; S351-N355 PolarHBondContact O-ND2 2.93Å
352	V	73.9	Confident	74.3	Confident	60 Å²	60	54.4 Å²	54.4	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-47.2	177.7	171.7	0	0	0	0	110.4	M348 K349 I350 K354 N355 E356	M348-V352 WeakPolarHBondContact O-CG2 3.47Å; M348-V352 PolarHBondContact O-N 2.78Å; K349-V352 PolarHBondContact O-N 3.42Å; I350-V352 PolarHBondContact O-N 3.36Å; V352-K354 VanDerWaalsContact C-N 3.35Å; V352-K354 PolarHBondContact O-N 3.31Å; V352-N355 PolarHBondContact O-N 3.17Å; V352-E356 WeakPolarHBondContact O-CG 3.48Å; V352-E356 PolarHBondContact O-N 3.26Å
353	L	78	Confident	73.7	Confident	21 Å²	21	52.7 Å²	52.7	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-40.7	178.9	-71.8	167.6	0	0	0	112.1	K349 I350 N355 E356 I357 L373 K376 M377 Q380	K349-L353 WeakPolarHBondContact O-CB 3.38Å; K349-L353 WeakPolarHBondContact O-CD1 3.35Å; K349-L353 WeakPolarHBondContact O-CG 3.22Å; K349-L353 PolarHBondContact O-N 2.94Å; I350-L353 PolarHBondContact O-N 3.26Å; L353-N355 PolarHBondContact O-N 3.44Å; L353-E356 PolarHBondContact O-N 3.35Å; L353-I357 WeakPolarHBondContact O-CD1 3.38Å; L353-I357 WeakPolarHBondContact O-CG1 3.48Å; L353-I357 PolarHBondContact O-N 3.2Å; L353-L373 HydrophobicContact CD2-CD2 3.95Å; L353-K376 HydrophobicContact CD1-CB 4.06Å; L353-K376 HydrophobicContact CD2-CB 4.17Å; L353-K376 HydrophobicContact CD2-CD 4.49Å; L353-M377 HydrophobicContact CB-CB 4.06Å; L353-M377 HydrophobicContact CB-CG 4.33Å; L353-M377 HydrophobicContact CD1-CB 4.25Å; L353-Q380 HydrophobicContact CD1-CG 4.09Å
354	K	74	Confident	72.6	Confident	62 Å²	62	58.7 Å²	58.7	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-46.5	174.1	-82.3	-172.7	165.9	-161.4	0	112.4	I350 S351 V352 I357 Q358 M377 T457	I350-K354 HydrophobicContact CG2-CD 4.44Å; I350-K354 WeakPolarHBondContact O-CG 3.33Å; I350-K354 PolarHBondContact O-N 2.76Å; S351-K354 PolarHBondContact O-N 2.81Å; V352-K354 VanDerWaalsContact C-N 3.35Å; V352-K354 PolarHBondContact O-N 3.31Å; K354-I357 WeakPolarHBondContact O-CB 3.32Å; K354-I357 PolarHBondContact O-N 3.35Å; K354-Q358 PolarHBondContact O-N 3.27Å; K354-M377 HydrophobicContact CD-SD 4.48Å; K354-M377 HydrophobicContact CG-CG 4.45Å; K354-M377 HydrophobicContact CG-SD 3.48Å; K354-M377 WeakPolarHBondContact CG-SD 3.42Å; K354-T457 VanDerWaalsContact CE-CG2 3.44Å; K354-T457 WeakPolarHBondContact CE-OG1 3.41Å; K354-T457 PolarHBondContact NZ-OG1 3.37Å
355	N	69.3	Low	71.9	Confident	25 Å²	25	66.9 Å²	66.9	13%	0.134	33%	0.327	C	S	.	.	H	α-helix	trans	-69.2	-37.6	-178.6	-65.4	-16.6	0	0	0	111.4	S351 V352 L353 Q358 K359 S788 D789	S351-N355 PolarHBondContact O-N 2.83Å; S351-N355 VanDerWaalsContact O-N 3.09Å; S351-N355 PolarHBondContact O-ND2 2.93Å; V352-N355 PolarHBondContact O-N 3.17Å; L353-N355 PolarHBondContact O-N 3.44Å; N355-Q358 PolarHBondContact O-N 3.24Å; N355-K359 WeakPolarHBondContact O-CG 3.45Å; N355-K359 PolarHBondContact O-N 2.94Å; N355-S788 PolarHBondContact ND2-OG 3.32Å; N355-D789 WeakPolarHBondContact CB-OD1 3.39Å; N355-D789 PolarHBondContact ND2-OD1 2.84Å
356	E	77.4	Confident	71	Confident	73 Å²	73	63 Å²	63	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-41.9	171.6	-71.7	-174.6	-178.9	0	0	112.2	V352 L353 Q358 K359 E360 L373	V352-E356 WeakPolarHBondContact O-CG 3.48Å; V352-E356 PolarHBondContact O-N 3.26Å; L353-E356 PolarHBondContact O-N 3.35Å; E356-Q358 VanDerWaalsContact C-N 3.34Å; E356-Q358 PolarHBondContact O-N 3.4Å; E356-K359 PolarHBondContact O-N 3.19Å; E356-E360 PolarHBondContact O-N 2.68Å; E356-L373 HydrophobicContact CB-CD1 3.85Å; E356-L373 VanDerWaalsContact OE2-CD2 3.26Å; E356-L373 WeakPolarHBondContact OE2-CD2 3.47Å
357	I	77.6	Confident	70.2	Confident	9 Å²	9	70.5 Å²	70.5	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-45	175	-68	158	0	0	0	110.3	L353 K354 K359 E360 K361 L373 R374 M377	L353-I357 WeakPolarHBondContact O-CD1 3.38Å; L353-I357 WeakPolarHBondContact O-CG1 3.48Å; L353-I357 PolarHBondContact O-N 3.2Å; K354-I357 WeakPolarHBondContact O-CB 3.32Å; K354-I357 PolarHBondContact O-N 3.35Å; I357-K359 PolarHBondContact O-N 3.47Å; I357-E360 PolarHBondContact O-N 3Å; I357-K361 HydrophobicContact CG2-CD 4.44Å; I357-K361 WeakPolarHBondContact O-CG 3.4Å; I357-K361 PolarHBondContact O-N 2.82Å; I357-L373 HydrophobicContact CD1-CB 4.17Å; I357-L373 HydrophobicContact CG1-CB 3.52Å; I357-L373 HydrophobicContact CG1-CD1 4.4Å; I357-R374 HydrophobicContact CD1-CB 4.36Å; I357-R374 HydrophobicContact CD1-CG 3.74Å; I357-R374 HydrophobicContact CG1-CG 4.19Å; I357-R374 HydrophobicContact CG2-CG 4.23Å; I357-M377 HydrophobicContact CD1-CB 4.29Å; I357-M377 HydrophobicContact CD1-SD 3.81Å
358	Q	72	Confident	70.1	Confident	110 Å²	110	73.5 Å²	73.5	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-36.6	-179.8	-162.8	179.6	15.2	0	0	112.4	K354 N355 E356	K354-Q358 PolarHBondContact O-N 3.27Å; N355-Q358 PolarHBondContact O-N 3.24Å; E356-Q358 VanDerWaalsContact C-N 3.34Å; E356-Q358 PolarHBondContact O-N 3.4Å
359	K	73.9	Confident	70.4	Confident	108 Å²	108	78.8 Å²	78.8	47%	0.47	39%	0.386	S	S	.	.	H	α-helix	trans	-63.9	-44	173.8	-74.5	173.8	-173.7	170	0	111.6	N355 E356 I357 K361 K362 D789	N355-K359 WeakPolarHBondContact O-CG 3.45Å; N355-K359 PolarHBondContact O-N 2.94Å; E356-K359 PolarHBondContact O-N 3.19Å; I357-K359 PolarHBondContact O-N 3.47Å; K359-K361 VanDerWaalsContact C-N 3.35Å; K359-K361 PolarHBondContact O-N 3.14Å; K359-K362 PolarHBondContact O-N 3.32Å; K359-D789 VanDerWaalsContact CE-OD2 3.32Å; K359-D789 WeakPolarHBondContact CE-OD2 3.32Å; K359-D789 IonicContact NZ-OD2 2.68Å; K359-D789 PolarHBondContact NZ-OD2 3.3Å
360	E	76.9	Confident	70.2	Confident	43 Å²	43	75 Å²	75	20%	0.201	37%	0.371	C	S	.	.	H	α-helix	trans	-74.9	-21.7	-179.3	-65	-56.1	-128.5	0	0	114.4	E356 I357 K362 A363 R369 A370 L373	E356-E360 PolarHBondContact O-N 2.68Å; I357-E360 PolarHBondContact O-N 3Å; E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 2.88Å; E360-A363 WeakPolarHBondContact O-CB 3.34Å; E360-A363 PolarHBondContact O-N 2.91Å; E360-R369 VanDerWaalsContact OE1-CD 3.27Å; E360-R369 WeakPolarHBondContact OE1-CD 3.24Å; E360-R369 IonicContact OE1-CZ 3.36Å; E360-R369 IonicContact OE1-NE 3.53Å; E360-R369 IonicContact OE1-NH1 2.73Å; E360-R369 PolarHBondContact OE1-NH1 3.25Å; E360-A370 HydrophobicContact CB-CB 4.45Å; E360-L373 HydrophobicContact CG-CD1 4.44Å
361	K	65.8	Low	70.2	Confident	86 Å²	86	81.6 Å²	81.6	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-31.1	169.8	-80.3	179.3	162.3	-157.2	0	113.7	I357 K359 A363 D462	I357-K361 HydrophobicContact CG2-CD 4.44Å; I357-K361 WeakPolarHBondContact O-CG 3.4Å; I357-K361 PolarHBondContact O-N 2.82Å; K359-K361 VanDerWaalsContact C-N 3.35Å; K359-K361 PolarHBondContact O-N 3.14Å; K361-A363 PolarHBondContact O-N 2.77Å; K361-D462 IonicContact NZ-OD1 2.77Å; K361-D462 PolarHBondContact NZ-OD1 3.42Å; K361-D462 IonicContact NZ-OD2 2.65Å; K361-D462 PolarHBondContact NZ-OD2 3.27Å
362	K	64.9	Low	70.6	Confident	172 Å²	172	89.8 Å²	89.8	75%	0.748	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.2	175.2	-64.5	-178.9	-179.8	-179.1	0	112.4	K359 E360	K359-K362 PolarHBondContact O-N 3.32Å; E360-K362 VanDerWaalsContact C-N 3.29Å; E360-K362 PolarHBondContact O-N 2.88Å
363	A	66.1	Low	70.9	Confident	38 Å²	38	87.5 Å²	87.5	31%	0.314	42%	0.417	S	S	.	.	S	Bend	trans	-95.4	129.4	-179.7	0	0	0	0	0	111.6	E360 K361 K365 G366	E360-A363 WeakPolarHBondContact O-CB 3.34Å; E360-A363 PolarHBondContact O-N 2.91Å; K361-A363 PolarHBondContact O-N 2.77Å; A363-K365 PolarHBondContact O-N 2.91Å; A363-G366 PolarHBondContact O-N 3.26Å
364	P	54.3	Low	70.9	Confident	139 Å²	139	90.1 Å²	90.1	90%	0.903	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	1.1	-171	24.8	-33.8	0	0	0	116
365	K	57.3	Low	71.2	Confident	206 Å²	206	93.5 Å²	93.5	90%	0.896	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	15.2	178.3	-66.4	-174.6	177.5	-179.9	0	113.5	A363	A363-K365 PolarHBondContact O-N 2.91Å
366	G	57	Low	71.8	Confident	9 Å²	9	98 Å²	98	9%	0.093	46%	0.459	C	S	.	.			trans	-84.6	-6.7	-165.5	0	0	0	0	0	117.9	A363 S368 R369 A370	A363-G366 PolarHBondContact O-N 3.26Å; G366-S368 PolarHBondContact O-N 2.84Å; G366-R369 PolarHBondContact O-N 3.11Å; G366-R369 VanDerWaalsContact O-N 3.15Å; G366-A370 PolarHBondContact O-N 2.9Å
367	Q	63.8	Low	72	Confident	174 Å²	174	94.8 Å²	94.8	81%	0.813	44%	0.444	S	S	*	.	H	α-helix	trans	-55.7	-46.6	-166.6	-83.5	178.9	-17.3	0	0	114.7	R369 A370 E371	Q367-R369 PolarHBondContact O-N 3.3Å; Q367-A370 PolarHBondContact O-N 3.01Å; Q367-E371 PolarHBondContact O-N 3.31Å
368	S	72.1	Confident	71.9	Confident	73 Å²	73	97 Å²	97	51%	0.51	46%	0.455	S	S	.	.	H	α-helix	trans	-67.5	-33.1	-178.9	-177.2	0	0	0	0	113.5	G366 R372	G366-S368 PolarHBondContact O-N 2.84Å; S368-R372 WeakPolarHBondContact O-CG 3.46Å; S368-R372 PolarHBondContact O-N 3.17Å
369	R	77.6	Confident	72.4	Confident	149 Å²	149	95.5 Å²	95.5	56%	0.562	45%	0.449	S	S	*	.	H	α-helix	trans	-75.1	-40.3	176.3	-175.6	175.2	174.6	-169.4	6.3	111	E360 G366 Q367 E371 R372 L373	E360-R369 VanDerWaalsContact OE1-CD 3.27Å; E360-R369 WeakPolarHBondContact OE1-CD 3.24Å; E360-R369 IonicContact OE1-CZ 3.36Å; E360-R369 IonicContact OE1-NE 3.53Å; E360-R369 IonicContact OE1-NH1 2.73Å; E360-R369 PolarHBondContact OE1-NH1 3.25Å; G366-R369 PolarHBondContact O-N 3.11Å; G366-R369 VanDerWaalsContact O-N 3.15Å; Q367-R369 PolarHBondContact O-N 3.3Å; R369-E371 VanDerWaalsContact C-N 3.29Å; R369-E371 PolarHBondContact O-N 2.8Å; R369-R372 PolarHBondContact O-N 2.83Å; R369-L373 HydrophobicContact CG-CD1 4.33Å; R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 2.89Å
370	A	75.3	Confident	72.8	Confident	7 Å²	7	92.5 Å²	92.5	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-58.8	-40.9	175.1	0	0	0	0	0	111.6	E360 G366 Q367 L373 R374	E360-A370 HydrophobicContact CB-CB 4.45Å; G366-A370 PolarHBondContact O-N 2.9Å; Q367-A370 PolarHBondContact O-N 3.01Å; A370-L373 PolarHBondContact O-N 3Å; A370-R374 WeakPolarHBondContact O-CG 3.37Å; A370-R374 PolarHBondContact O-N 3.35Å
371	E	75.4	Confident	72.9	Confident	140 Å²	140	90.5 Å²	90.5	65%	0.654	43%	0.427	S	S	*	.	H	α-helix	trans	-63.7	-42	176.6	-165.3	-176.1	175.2	0	0	112.8	Q367 R369 L373 R374 K375	Q367-E371 PolarHBondContact O-N 3.31Å; R369-E371 VanDerWaalsContact C-N 3.29Å; R369-E371 PolarHBondContact O-N 2.8Å; E371-L373 VanDerWaalsContact C-N 3.32Å; E371-L373 PolarHBondContact O-N 3.31Å; E371-R374 PolarHBondContact O-N 3.45Å; E371-K375 PolarHBondContact O-N 3.18Å
372	R	79.3	Confident	73.5	Confident	181 Å²	181	87.7 Å²	87.7	68%	0.683	42%	0.418	S	S	*	.	H	α-helix	trans	-62.5	-39.2	174.1	-69.6	178.5	-172.5	-178.2	2.5	112.3	S368 R369 K375 K376	S368-R372 WeakPolarHBondContact O-CG 3.46Å; S368-R372 PolarHBondContact O-N 3.17Å; R369-R372 PolarHBondContact O-N 2.83Å; R372-K375 PolarHBondContact O-N 2.97Å; R372-K376 PolarHBondContact O-N 3.41Å
373	L	80.7	Confident	74.4	Confident	12 Å²	12	86.5 Å²	86.5	6%	0.063	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-42.2	177	-68.8	171.3	0	0	0	111.3	L353 E356 I357 E360 R369 A370 E371 K375 K376 M377	L353-L373 HydrophobicContact CD2-CD2 3.95Å; E356-L373 HydrophobicContact CB-CD1 3.85Å; E356-L373 VanDerWaalsContact OE2-CD2 3.26Å; E356-L373 WeakPolarHBondContact OE2-CD2 3.47Å; I357-L373 HydrophobicContact CD1-CB 4.17Å; I357-L373 HydrophobicContact CG1-CB 3.52Å; I357-L373 HydrophobicContact CG1-CD1 4.4Å; E360-L373 HydrophobicContact CG-CD1 4.44Å; R369-L373 HydrophobicContact CG-CD1 4.33Å; R369-L373 WeakPolarHBondContact O-CG 3.37Å; R369-L373 PolarHBondContact O-N 2.89Å; A370-L373 PolarHBondContact O-N 3Å; E371-L373 VanDerWaalsContact C-N 3.32Å; E371-L373 PolarHBondContact O-N 3.31Å; L373-K375 VanDerWaalsContact C-N 3.28Å; L373-K375 PolarHBondContact O-N 2.98Å; L373-K376 PolarHBondContact O-N 3.14Å; L373-K376 VanDerWaalsContact O-N 3.17Å; L373-M377 WeakPolarHBondContact O-CB 3.44Å; L373-M377 PolarHBondContact O-N 3.45Å
374	R	78.4	Confident	75.1	Confident	77 Å²	77	84.9 Å²	84.9	29%	0.291	40%	0.395	S	S	.	.	H	α-helix	trans	-56.6	-42.1	172.4	-74.6	178.7	-177.3	-81.3	18.2	111.7	I357 A370 E371 K376 M377 N378 D462	I357-R374 HydrophobicContact CD1-CB 4.36Å; I357-R374 HydrophobicContact CD1-CG 3.74Å; I357-R374 HydrophobicContact CG1-CG 4.19Å; I357-R374 HydrophobicContact CG2-CG 4.23Å; A370-R374 WeakPolarHBondContact O-CG 3.37Å; A370-R374 PolarHBondContact O-N 3.35Å; E371-R374 PolarHBondContact O-N 3.45Å; R374-K376 PolarHBondContact O-N 3.21Å; R374-M377 WeakPolarHBondContact O-CB 3.41Å; R374-M377 PolarHBondContact O-N 3.23Å; R374-N378 WeakPolarHBondContact O-CB 3.48Å; R374-N378 PolarHBondContact O-N 3.14Å; R374-N378 PolarHBondContact O-OD1 2.92Å; R374-D462 IonicContact NH2-OD2 3.9Å
375	K	79.4	Confident	76.4	Confident	132 Å²	132	79.2 Å²	79.2	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-61.1	-45.4	176.2	-171.1	179.5	177.6	178.6	0	112.5	E371 R372 L373 M377 N378 E379	E371-K375 PolarHBondContact O-N 3.18Å; R372-K375 PolarHBondContact O-N 2.97Å; L373-K375 VanDerWaalsContact C-N 3.28Å; L373-K375 PolarHBondContact O-N 2.98Å; K375-M377 VanDerWaalsContact C-N 3.32Å; K375-M377 PolarHBondContact O-N 3.04Å; K375-N378 PolarHBondContact O-N 3.1Å; K375-E379 WeakPolarHBondContact O-CG 3.46Å; K375-E379 PolarHBondContact O-N 2.77Å
376	K	83	Confident	77.8	Confident	120 Å²	120	71.1 Å²	71.1	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175.9	-70.8	-179	177.9	-176.3	0	112	L353 R372 L373 R374 E379 Q380	L353-K376 HydrophobicContact CD1-CB 4.06Å; L353-K376 HydrophobicContact CD2-CB 4.17Å; L353-K376 HydrophobicContact CD2-CD 4.49Å; R372-K376 PolarHBondContact O-N 3.41Å; L373-K376 PolarHBondContact O-N 3.14Å; L373-K376 VanDerWaalsContact O-N 3.17Å; R374-K376 PolarHBondContact O-N 3.21Å; K376-E379 WeakPolarHBondContact O-CB 3.4Å; K376-E379 PolarHBondContact O-N 2.79Å; K376-Q380 PolarHBondContact O-N 3.1Å; K376-Q380 VanDerWaalsContact O-N 3.08Å
377	M	80.6	Confident	79	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.03	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-51.3	177	-174.1	-165.7	78.2	0	0	110.5	I350 L353 K354 I357 L373 R374 K375 E379 Q380 E381	I350-M377 HydrophobicContact CG2-CG 4.24Å; L353-M377 HydrophobicContact CB-CB 4.06Å; L353-M377 HydrophobicContact CB-CG 4.33Å; L353-M377 HydrophobicContact CD1-CB 4.25Å; K354-M377 HydrophobicContact CD-SD 4.48Å; K354-M377 HydrophobicContact CG-CG 4.45Å; K354-M377 HydrophobicContact CG-SD 3.48Å; K354-M377 WeakPolarHBondContact CG-SD 3.42Å; I357-M377 HydrophobicContact CD1-CB 4.29Å; I357-M377 HydrophobicContact CD1-SD 3.81Å; L373-M377 WeakPolarHBondContact O-CB 3.44Å; L373-M377 PolarHBondContact O-N 3.45Å; R374-M377 WeakPolarHBondContact O-CB 3.41Å; R374-M377 PolarHBondContact O-N 3.23Å; K375-M377 VanDerWaalsContact C-N 3.32Å; K375-M377 PolarHBondContact O-N 3.04Å; M377-E379 PolarHBondContact O-N 3.44Å; M377-Q380 PolarHBondContact O-N 3.33Å; M377-E381 WeakPolarHBondContact O-CG 3.38Å; M377-E381 PolarHBondContact O-N 2.85Å
378	N	76.5	Confident	79.8	Confident	55 Å²	55	64.1 Å²	64.1	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-33.8	177.4	-66.6	-1.1	0	0	0	112.1	R374 K375 S382	R374-N378 WeakPolarHBondContact O-CB 3.48Å; R374-N378 PolarHBondContact O-N 3.14Å; R374-N378 PolarHBondContact O-OD1 2.92Å; K375-N378 PolarHBondContact O-N 3.1Å; N378-S382 WeakPolarHBondContact O-CB 3.46Å; N378-S382 PolarHBondContact O-N 2.82Å
379	E	82.4	Confident	80.4	Confident	79 Å²	79	60.8 Å²	60.8	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-50.2	172.1	-75	171.4	-174.5	0	0	111.1	K375 K376 M377 E381 S382 W383	K375-E379 WeakPolarHBondContact O-CG 3.46Å; K375-E379 PolarHBondContact O-N 2.77Å; K376-E379 WeakPolarHBondContact O-CB 3.4Å; K376-E379 PolarHBondContact O-N 2.79Å; M377-E379 PolarHBondContact O-N 3.44Å; E379-E381 VanDerWaalsContact C-N 3.34Å; E379-E381 PolarHBondContact O-N 2.82Å; E379-S382 WeakPolarHBondContact O-CB 3.37Å; E379-S382 PolarHBondContact O-N 2.81Å; E379-S382 VanDerWaalsContact O-N 3.17Å; E379-W383 PolarHBondContact O-N 3.47Å
380	Q	81.6	Confident	80.5	Confident	44 Å²	44	55.9 Å²	55.9	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-40.7	177.3	-65.2	-59.2	-62.7	0	0	112.5	K349 I350 L353 K376 M377 S382 W383 L384	K349-Q380 HydrophobicContact CB-CG 4.2Å; I350-Q380 HydrophobicContact CD1-CB 4.19Å; I350-Q380 HydrophobicContact CG1-CB 3.55Å; L353-Q380 HydrophobicContact CD1-CG 4.09Å; K376-Q380 PolarHBondContact O-N 3.1Å; K376-Q380 VanDerWaalsContact O-N 3.08Å; M377-Q380 PolarHBondContact O-N 3.33Å; Q380-S382 VanDerWaalsContact C-N 3.33Å; Q380-S382 PolarHBondContact O-N 3.29Å; Q380-W383 PolarHBondContact O-N 2.9Å; Q380-L384 PolarHBondContact O-N 3.1Å
381	E	78.4	Confident	80.6	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-41.2	174.3	-70.3	-175.1	149.4	0	0	111.9	I350 M377 E379 W383 L384 L385 V456 T457	I350-E381 HydrophobicContact CD1-CB 4.47Å; I350-E381 HydrophobicContact CD1-CG 3.82Å; I350-E381 HydrophobicContact CG1-CG 4.02Å; I350-E381 HydrophobicContact CG2-CG 4.16Å; M377-E381 WeakPolarHBondContact O-CG 3.38Å; M377-E381 PolarHBondContact O-N 2.85Å; E379-E381 VanDerWaalsContact C-N 3.34Å; E379-E381 PolarHBondContact O-N 2.82Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.01Å; E381-L384 PolarHBondContact O-N 3.25Å; E381-L385 WeakPolarHBondContact O-CB 3.45Å; E381-L385 PolarHBondContact O-N 2.95Å; E381-V456 HydrophobicContact CB-CB 3.81Å; E381-V456 HydrophobicContact CB-CG2 3.66Å; E381-V456 HydrophobicContact CG-CB 3.76Å; E381-V456 HydrophobicContact CG-CG1 4.3Å; E381-V456 HydrophobicContact CG-CG2 4.17Å; E381-V456 VanDerWaalsContact O-CG2 3.27Å; E381-V456 WeakPolarHBondContact O-CG2 3.48Å; E381-T457 WeakPolarHBondContact OE1-CB 3.44Å; E381-T457 WeakPolarHBondContact OE1-CG2 3.43Å; E381-T457 PolarHBondContact OE1-OG1 3.05Å
382	S	79.8	Confident	81	Confident	26 Å²	26	51.7 Å²	51.7	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-38.9	173.8	-176.8	0	0	0	0	112.9	N378 E379 Q380 L386 I454	N378-S382 WeakPolarHBondContact O-CB 3.46Å; N378-S382 PolarHBondContact O-N 2.82Å; E379-S382 WeakPolarHBondContact O-CB 3.37Å; E379-S382 PolarHBondContact O-N 2.81Å; E379-S382 VanDerWaalsContact O-N 3.17Å; Q380-S382 VanDerWaalsContact C-N 3.33Å; Q380-S382 PolarHBondContact O-N 3.29Å; S382-L386 WeakPolarHBondContact O-CB 3.26Å; S382-L386 PolarHBondContact O-N 2.73Å; S382-I454 VanDerWaalsContact CB-CD1 3.42Å; S382-I454 VanDerWaalsContact OG-CD1 3.28Å; S382-I454 WeakPolarHBondContact OG-CD1 3.31Å
383	W	83.4	Confident	81.4	Confident	148 Å²	148	43.5 Å²	43.5	56%	0.561	20%	0.203	S	C	*	.	H	α-helix	trans	-68.6	-45.3	176.1	-82.3	92.7	0	0	0	110.8	M346 E379 Q380 E381 L385 L386 H387	M346-W383 HydrophobicContact SD-CB 3.62Å; E379-W383 PolarHBondContact O-N 3.47Å; Q380-W383 PolarHBondContact O-N 2.9Å; E381-W383 VanDerWaalsContact C-N 3.31Å; E381-W383 PolarHBondContact O-N 3.01Å; W383-L385 PolarHBondContact O-N 3.16Å; W383-L386 PolarHBondContact O-N 2.73Å; W383-L386 VanDerWaalsContact O-N 3.13Å; W383-H387 AromaticContact CE3-CD2 3.57Å; W383-H387 AromaticContact CE3-NE2 3.35Å; W383-H387 VanDerWaalsContact CE3-NE2 3.35Å; W383-H387 AromaticContact CZ3-NE2 3.46Å; W383-H387 WeakPolarHBondContact CZ3-NE2 3.5Å; W383-H387 PolarHBondContact O-CD2 3.13Å; W383-H387 VanDerWaalsContact O-CD2 3.23Å; W383-H387 PolarHBondContact O-N 2.92Å
384	L	81.8	Confident	81.6	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-45.5	178	-176.6	62.3	0	0	0	111.5	I343 M346 K347 I350 Q380 E381 L386 H387 S388 V456	I343-L384 HydrophobicContact CG2-CD1 3.61Å; M346-L384 HydrophobicContact CB-CD1 4.38Å; M346-L384 HydrophobicContact SD-CB 4.45Å; K347-L384 HydrophobicContact CG-CD1 4.27Å; K347-L384 HydrophobicContact CG-CD2 3.85Å; I350-L384 HydrophobicContact CD1-CB 4.22Å; I350-L384 HydrophobicContact CD1-CD2 3.76Å; Q380-L384 PolarHBondContact O-N 3.1Å; E381-L384 PolarHBondContact O-N 3.25Å; L384-L386 VanDerWaalsContact C-N 3.29Å; L384-L386 PolarHBondContact O-N 2.97Å; L384-H387 PolarHBondContact O-N 3.08Å; L384-S388 WeakPolarHBondContact O-CB 3.08Å; L384-S388 PolarHBondContact O-N 3.45Å; L384-S388 PolarHBondContact O-OG 3.02Å; L384-V456 HydrophobicContact CD2-CG1 3.81Å
385	L	80.3	Confident	82.1	Confident	19 Å²	19	41.8 Å²	41.8	10%	0.099	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-31.6	177.5	-173.2	63.3	0	0	0	112.6	F273 V275 L284 E381 W383 P389 I454 V456	F273-L385 HydrophobicContact CB-CD2 3.55Å; F273-L385 HydrophobicContact CG-CD2 4.45Å; V275-L385 WeakPolarHBondContact CG2-O 3.37Å; L284-L385 HydrophobicContact CD1-CD2 3.88Å; L284-L385 HydrophobicContact CD1-CG 4.05Å; E381-L385 WeakPolarHBondContact O-CB 3.45Å; E381-L385 PolarHBondContact O-N 2.95Å; W383-L385 PolarHBondContact O-N 3.16Å; L385-P389 WeakPolarHBondContact O-CD 3.35Å; L385-P389 VanDerWaalsContact O-CG 3.24Å; L385-P389 WeakPolarHBondContact O-CG 3.39Å; L385-I454 HydrophobicContact CB-CG2 3.97Å; L385-I454 HydrophobicContact CD2-CG2 3.48Å; L385-I454 VanDerWaalsContact CD2-CG2 3.48Å; L385-I454 HydrophobicContact CG-CG2 4.37Å; L385-V456 HydrophobicContact CB-CG2 4.18Å
386	L	86	Confident	82.4	Confident	36 Å²	36	37 Å²	37	19%	0.188	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-38.8	178.1	-176.9	62.1	0	0	0	112.3	V275 R282 L284 S382 W383 L384	V275-L386 HydrophobicContact CG1-CD1 4.26Å; V275-L386 HydrophobicContact CG2-CD1 4.41Å; R282-L386 HydrophobicContact CB-CD1 3.78Å; R282-L386 HydrophobicContact CB-CG 4.23Å; R282-L386 WeakPolarHBondContact CD-O 3.38Å; R282-L386 PolarHBondContact NH1-O 3.29Å; L284-L386 HydrophobicContact CB-CD1 4.22Å; S382-L386 WeakPolarHBondContact O-CB 3.26Å; S382-L386 PolarHBondContact O-N 2.73Å; W383-L386 PolarHBondContact O-N 2.73Å; W383-L386 VanDerWaalsContact O-N 3.13Å; L384-L386 VanDerWaalsContact C-N 3.29Å; L384-L386 PolarHBondContact O-N 2.97Å
387	H	84.1	Confident	82.4	Confident	32 Å²	32	32 Å²	32	15%	0.148	15%	0.154	C	C	.	.	H	α-helix	trans	-103.3	-24.5	-168	-69.6	-75.1	0	0	0	114.9	R282 L338 M346 W383 L384	R282-H387 PolarHBondContact NH1-O 3.32Å; R282-H387 VanDerWaalsContact NH1-O 3.1Å; L338-H387 HydrophobicContact CB-CB 4.2Å; L338-H387 HydrophobicContact CD1-CB 4.47Å; L338-H387 HydrophobicContact CD2-CB 4.08Å; L338-H387 HydrophobicContact CG-CB 4.5Å; M346-H387 HydrophobicContact CE-CB 4.45Å; W383-H387 AromaticContact CE3-CD2 3.57Å; W383-H387 AromaticContact CE3-NE2 3.35Å; W383-H387 VanDerWaalsContact CE3-NE2 3.35Å; W383-H387 AromaticContact CZ3-NE2 3.46Å; W383-H387 WeakPolarHBondContact CZ3-NE2 3.5Å; W383-H387 PolarHBondContact O-CD2 3.13Å; W383-H387 VanDerWaalsContact O-CD2 3.23Å; W383-H387 PolarHBondContact O-N 2.92Å; L384-H387 PolarHBondContact O-N 3.08Å
388	S	79.8	Confident	82.2	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.035	18%	0.175	C	C	.	.	S	Bend	trans	-74.2	-33.2	-178.6	62.6	0	0	0	0	115.9	L384 T390	L384-S388 WeakPolarHBondContact O-CB 3.08Å; L384-S388 PolarHBondContact O-N 3.45Å; L384-S388 PolarHBondContact O-OG 3.02Å; S388-T390 PolarHBondContact O-N 2.9Å
389	P	84.2	Confident	82.2	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.013	19%	0.193	C	C	.	.			trans	-67.3	135.4	-179.5	-25	38.4	0	0	0	111.8	V275 R282 L385 L406	V275-P389 HydrophobicContact CG2-CB 4.43Å; V275-P389 HydrophobicContact CG2-CG 3.9Å; R282-P389 PolarHBondContact NH1-O 3.38Å; L385-P389 WeakPolarHBondContact O-CD 3.35Å; L385-P389 VanDerWaalsContact O-CG 3.24Å; L385-P389 WeakPolarHBondContact O-CG 3.39Å; P389-L406 HydrophobicContact CB-CB 3.86Å; P389-L406 WeakPolarHBondContact CB-O 3.43Å
390	T	79.4	Confident	81.7	Confident	46 Å²	46	40.5 Å²	40.5	28%	0.282	21%	0.208	S	C	.	.			trans	-135.3	-14.4	-177.5	51.8	0	0	0	0	113.4	V337 S388 P392 L407	V337-T390 HydrophobicContact CG1-CG2 3.96Å; V337-T390 HydrophobicContact CG2-CG2 4.07Å; S388-T390 PolarHBondContact O-N 2.9Å; T390-P392 WeakPolarHBondContact O-CD 3.41Å; T390-L407 PolarHBondContact N-O 3Å
391	I	78.5	Confident	81.8	Confident	38 Å²	38	43.9 Å²	43.9	20%	0.195	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.6	-176.2	-53.4	-58	0	0	0	109.6	L406 L407	I391-L406 CarbonylContact O-C 3.6Å; I391-L406 WeakPolarHBondContact O-CA 3.44Å; I391-L407 WeakPolarHBondContact CB-O 2.95Å; I391-L407 PolarHBondContact N-O 3.21Å; I391-L407 PolarHBondContact O-N 3.33Å
392	P	84.1	Confident	82.1	Confident	21 Å²	21	46.5 Å²	46.5	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.9	-178.1	30	-34.9	0	0	0	112.1	T390 L404 F405 R413 E551	T390-P392 WeakPolarHBondContact O-CD 3.41Å; P392-L404 HydrophobicContact CB-CD1 3.67Å; P392-F405 CarbonylContact C-O 3.59Å; P392-F405 WeakPolarHBondContact CA-O 3.32Å; P392-R413 VanDerWaalsContact O-CD 3.3Å; P392-R413 WeakPolarHBondContact O-CD 3.19Å; P392-R413 PolarHBondContact O-NH1 2.77Å; P392-R413 VanDerWaalsContact O-NH1 3.14Å; P392-E551 WeakPolarHBondContact CD-OE1 2.99Å; P392-E551 WeakPolarHBondContact CG-OE1 2.92Å
393	F	86.3	Confident	82.4	Confident	10 Å²	10	45.8 Å²	45.8	4%	0.044	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	103.6	174.8	177.4	-124.6	0	0	0	109.2	F323 I395 F405 L407 R413 W416 K417 I420	F323-F393 HydrophobicContact CD1-CE2 4.15Å; F323-F393 AromaticContact CE1-CE2 3.73Å; F323-F393 HydrophobicContact CE1-CE2 3.73Å; F323-F393 AromaticContact CE1-CZ 3.74Å; F323-F393 HydrophobicContact CE1-CZ 3.74Å; F393-I395 HydrophobicContact CD1-CD1 4.34Å; F393-I395 HydrophobicContact CD1-CG1 4.34Å; F393-I395 HydrophobicContact CE1-CD1 3.6Å; F393-I395 HydrophobicContact CE1-CG1 3.89Å; F393-I395 HydrophobicContact CZ-CD1 3.97Å; F393-I395 HydrophobicContact CZ-CG1 4.02Å; F393-F405 HydrophobicContact CB-CB 4.28Å; F393-F405 HydrophobicContact CD1-CB 4.18Å; F393-F405 HydrophobicContact CD1-CD2 4.21Å; F393-F405 PolarHBondContact N-O 3.27Å; F393-F405 PolarHBondContact O-N 3.34Å; F393-L407 HydrophobicContact CB-CD1 3.58Å; F393-L407 HydrophobicContact CB-CG 3.98Å; F393-L407 HydrophobicContact CD1-CD1 3.93Å; F393-L407 HydrophobicContact CD2-CD1 4.49Å; F393-L407 HydrophobicContact CG-CD1 3.77Å; F393-R413 HydrophobicContact CB-CG 4.4Å; F393-R413 HydrophobicContact CD2-CG 3.95Å; F393-R413 HydrophobicContact CG-CG 4.47Å; F393-W416 HydrophobicContact CE1-CB 4.05Å; F393-W416 HydrophobicContact CZ-CB 4.12Å; F393-K417 HydrophobicContact CE2-CB 4.04Å; F393-K417 HydrophobicContact CZ-CB 4.5Å; F393-I420 HydrophobicContact CE1-CD1 4.48Å; F393-I420 HydrophobicContact CZ-CD1 4.17Å
394	R	86.1	Confident	82.7	Confident	49 Å²	49	39.4 Å²	39.4	19%	0.185	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.6	-176.7	-68.8	176.3	-168.4	173	2.3	111.5	D330 C332 Y403 L404	D330-R394 PolarHBondContact O-NH1 3.22Å; C332-R394 PolarHBondContact SG-NH2 3.47Å; R394-Y403 WeakPolarHBondContact CA-O 3.2Å; R394-L404 HydrophobicContact CG-CD1 3.58Å
395	I	88.1	Confident	83.1	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.2	171.8	-47.2	178.3	0	0	0	108	L294 L321 F323 F393 Y403 F405 I420	L294-I395 HydrophobicContact CD2-CD1 3.97Å; L321-I395 HydrophobicContact CB-CG2 3.99Å; L321-I395 HydrophobicContact CD1-CG2 4.15Å; L321-I395 HydrophobicContact CD2-CG2 3.78Å; L321-I395 HydrophobicContact CG-CG2 4.18Å; F323-I395 HydrophobicContact CE1-CG1 4.38Å; F393-I395 HydrophobicContact CD1-CD1 4.34Å; F393-I395 HydrophobicContact CD1-CG1 4.34Å; F393-I395 HydrophobicContact CE1-CD1 3.6Å; F393-I395 HydrophobicContact CE1-CG1 3.89Å; F393-I395 HydrophobicContact CZ-CD1 3.97Å; F393-I395 HydrophobicContact CZ-CG1 4.02Å; I395-Y403 PolarHBondContact N-O 2.88Å; I395-Y403 PolarHBondContact O-N 3.23Å; I395-F405 HydrophobicContact CD1-CD2 4.3Å; I395-F405 HydrophobicContact CD1-CE2 4.05Å; I395-I420 HydrophobicContact CD1-CD1 4.05Å
396	H	85	Confident	83.4	Confident	33 Å²	33	38.4 Å²	38.4	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.9	176.9	-61.4	-105.5	0	0	0	109.5	L321 T322 K401 S402	L321-H396 CarbonylContact C-O 3.51Å; L321-H396 WeakPolarHBondContact CA-O 3.31Å; T322-H396 PolarHBondContact N-O 3.39Å; T322-H396 PolarHBondContact O-N 2.67Å; T322-H396 PolarHBondContact OG1-O 3.21Å; H396-K401 WeakPolarHBondContact CA-O 3.49Å; H396-S402 PolarHBondContact CE1-OG 3.08Å
397	N	84.1	Confident	83.4	Confident	13 Å²	13	36.8 Å²	36.8	7%	0.07	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	162	164.4	79	2.2	0	0	0	111	D320 H399 G400 K401	D320-N397 CarbonylContact O-C 3.57Å; D320-N397 VanDerWaalsContact O-CA 3.24Å; D320-N397 WeakPolarHBondContact O-CA 3.31Å; N397-H399 PolarHBondContact O-N 2.88Å; N397-H399 WeakPolarHBondContact OD1-CA 3.43Å; N397-H399 WeakPolarHBondContact OD1-CB 3.5Å; N397-H399 PolarHBondContact OD1-N 2.89Å; N397-G400 PolarHBondContact O-N 2.97Å; N397-G400 PolarHBondContact OD1-N 2.95Å; N397-K401 PolarHBondContact N-O 3.08Å; N397-K401 WeakPolarHBondContact OD1-CB 3.3Å; N397-K401 PolarHBondContact OD1-N 3.34Å
398	K	76.9	Confident	83	Confident	108 Å²	108	36.8 Å²	36.8	47%	0.47	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.6	176.2	70.6	177.6	174	-158	0	115.2	D320	D320-K398 HydrophobicContact CB-CB 4.47Å; D320-K398 HydrophobicContact CB-CD 4.01Å; D320-K398 HydrophobicContact CB-CG 4.02Å; D320-K398 VanDerWaalsContact CG-CD 3.48Å; D320-K398 PolarHBondContact O-N 3.49Å; D320-K398 VanDerWaalsContact OD1-CD 3.26Å; D320-K398 WeakPolarHBondContact OD1-CD 3.14Å; D320-K398 VanDerWaalsContact OD1-CE 3.27Å; D320-K398 WeakPolarHBondContact OD1-CE 3.32Å; D320-K398 IonicContact OD1-NZ 2.73Å; D320-K398 PolarHBondContact OD1-NZ 2.95Å; D320-K398 WeakPolarHBondContact OD2-CE 3.42Å; D320-K398 IonicContact OD2-NZ 2.83Å; D320-K398 PolarHBondContact OD2-NZ 3.37Å
399	H	76.1	Confident	82.8	Confident	146 Å²	146	37.1 Å²	37.1	68%	0.676	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	8.2	179.3	-58.1	-66.3	0	0	0	112.7	N397 K401	N397-H399 PolarHBondContact O-N 2.88Å; N397-H399 WeakPolarHBondContact OD1-CA 3.43Å; N397-H399 WeakPolarHBondContact OD1-CB 3.5Å; N397-H399 PolarHBondContact OD1-N 2.89Å; H399-K401 VanDerWaalsContact C-N 3.35Å
400	G	71	Confident	82.3	Confident	65 Å²	65	38 Å²	38	67%	0.67	21%	0.207	S	C	*	.	S	Bend	trans	82.2	6	176.8	0	0	0	0	0	114.7	N397	N397-G400 PolarHBondContact O-N 2.97Å; N397-G400 PolarHBondContact OD1-N 2.95Å
401	K	83.7	Confident	82.3	Confident	115 Å²	115	37.2 Å²	37.2	50%	0.5	20%	0.199	S	C	.	.			trans	-81.2	122.6	174.2	-172.7	167.9	175.3	179.1	0	109.9	H396 N397 H399 Y403	H396-K401 WeakPolarHBondContact CA-O 3.49Å; N397-K401 PolarHBondContact N-O 3.08Å; N397-K401 WeakPolarHBondContact OD1-CB 3.3Å; N397-K401 PolarHBondContact OD1-N 3.34Å; H399-K401 VanDerWaalsContact C-N 3.35Å; K401-Y403 HydrophobicContact CB-CE2 4.33Å; K401-Y403 HydrophobicContact CD-CE1 4.4Å; K401-Y403 HydrophobicContact CD-CE2 4.22Å; K401-Y403 VanDerWaalsContact CD-OH 3.27Å; K401-Y403 WeakPolarHBondContact CD-OH 3.49Å; K401-Y403 WeakPolarHBondContact CE-OH 3.33Å; K401-Y403 HydrophobicContact CG-CE2 3.93Å; K401-Y403 PolarHBondContact NZ-OH 3.33Å
402	S	84.5	Confident	82.3	Confident	57 Å²	57	37.5 Å²	37.5	40%	0.399	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.7	176.4	-175.6	0	0	0	0	111.7	H396	H396-S402 PolarHBondContact CE1-OG 3.08Å
403	Y	87.9	Confident	82.3	Confident	11 Å²	11	38.9 Å²	38.9	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	174.1	-62.7	-84.4	0	0	0	108.6	Y314 H316 R394 I395 K401	Y314-Y403 HydrophobicContact CD1-CD1 4.39Å; Y314-Y403 AromaticContact CD1-CE1 3.64Å; Y314-Y403 HydrophobicContact CD1-CE1 3.64Å; Y314-Y403 HydrophobicContact CD2-CD1 4.49Å; Y314-Y403 AromaticContact CD2-CE1 3.93Å; Y314-Y403 HydrophobicContact CD2-CE1 3.93Å; Y314-Y403 AromaticContact CE1-CD1 3.73Å; Y314-Y403 HydrophobicContact CE1-CD1 3.73Å; Y314-Y403 AromaticContact CE1-CE1 3.42Å; Y314-Y403 HydrophobicContact CE1-CE1 3.42Å; Y314-Y403 VanDerWaalsContact CE1-CE1 3.42Å; Y314-Y403 AromaticContact CE2-CD1 3.82Å; Y314-Y403 HydrophobicContact CE2-CD1 3.82Å; Y314-Y403 AromaticContact CE2-CE1 3.71Å; Y314-Y403 HydrophobicContact CE2-CE1 3.71Å; Y314-Y403 HydrophobicContact CE2-CG 4.37Å; Y314-Y403 AromaticContact CG-CE1 3.88Å; Y314-Y403 HydrophobicContact CG-CE1 3.88Å; Y314-Y403 AromaticContact CZ-CD1 3.38Å; Y314-Y403 AromaticContact CZ-CE1 3.44Å; Y314-Y403 VanDerWaalsContact CZ-CE1 3.44Å; Y314-Y403 WeakPolarHBondContact OH-CD1 3.33Å; H316-Y403 AromaticContact CD2-CE2 3.82Å; H316-Y403 PolarHBondContact CE1-OH 3.38Å; H316-Y403 AromaticContact NE2-CE2 3.24Å; H316-Y403 WeakPolarHBondContact NE2-CE2 3.44Å; H316-Y403 AromaticContact NE2-CZ 3.17Å; H316-Y403 PolarHBondContact NE2-OH 3.43Å; R394-Y403 WeakPolarHBondContact CA-O 3.2Å; I395-Y403 PolarHBondContact N-O 2.88Å; I395-Y403 PolarHBondContact O-N 3.23Å; K401-Y403 HydrophobicContact CB-CE2 4.33Å; K401-Y403 HydrophobicContact CD-CE1 4.4Å; K401-Y403 HydrophobicContact CD-CE2 4.22Å; K401-Y403 VanDerWaalsContact CD-OH 3.27Å; K401-Y403 WeakPolarHBondContact CD-OH 3.49Å; K401-Y403 WeakPolarHBondContact CE-OH 3.33Å; K401-Y403 HydrophobicContact CG-CE2 3.93Å; K401-Y403 PolarHBondContact NZ-OH 3.33Å
404	L	88.2	Confident	82.1	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.9	178.5	175.5	60.3	0	0	0	109.7	L277 P333 P392 R394	L277-L404 HydrophobicContact CB-CB 4.46Å; L277-L404 HydrophobicContact CB-CD2 4.09Å; L277-L404 HydrophobicContact CB-CG 4.17Å; L277-L404 HydrophobicContact CD2-CD2 3.72Å; L277-L404 PolarHBondContact N-O 3.33Å; P333-L404 HydrophobicContact CG-CD2 3.88Å; P392-L404 HydrophobicContact CB-CD1 3.67Å; R394-L404 HydrophobicContact CG-CD1 3.58Å
405	F	89.9	Confident	82	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.8	169.3	-62.6	-82.6	0	0	0	110.6	L274 V275 E276 V287 Y314 P392 F393 I395	L274-F405 HydrophobicContact CB-CD1 3.84Å; L274-F405 HydrophobicContact CB-CE1 4.35Å; L274-F405 HydrophobicContact CD1-CD1 4.17Å; L274-F405 HydrophobicContact CD1-CG 4.41Å; V275-F405 CarbonylContact O-C 3.58Å; V275-F405 VanDerWaalsContact O-CA 3.22Å; V275-F405 WeakPolarHBondContact O-CA 3.45Å; E276-F405 HydrophobicContact CB-CD1 4.21Å; E276-F405 HydrophobicContact CB-CE1 4.16Å; V287-F405 HydrophobicContact CG2-CE1 3.95Å; V287-F405 HydrophobicContact CG2-CZ 4.36Å; Y314-F405 WeakPolarHBondContact OH-CZ 3.28Å; P392-F405 CarbonylContact C-O 3.59Å; P392-F405 WeakPolarHBondContact CA-O 3.32Å; F393-F405 HydrophobicContact CB-CB 4.28Å; F393-F405 HydrophobicContact CD1-CB 4.18Å; F393-F405 HydrophobicContact CD1-CD2 4.21Å; F393-F405 PolarHBondContact N-O 3.27Å; F393-F405 PolarHBondContact O-N 3.34Å; I395-F405 HydrophobicContact CD1-CD2 4.3Å; I395-F405 HydrophobicContact CD1-CE2 4.05Å
406	L	87.3	Confident	81.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.8	169.4	-56.7	178.1	0	0	0	108.2	V275 R282 I335 P389 I391	V275-L406 HydrophobicContact CB-CB 4.21Å; V275-L406 HydrophobicContact CG1-CB 4.36Å; V275-L406 HydrophobicContact CG1-CD1 4.28Å; V275-L406 PolarHBondContact O-N 2.98Å; R282-L406 HydrophobicContact CG-CD1 4.48Å; I335-L406 HydrophobicContact CD1-CD2 3.76Å; I335-L406 HydrophobicContact CG1-CD2 4.4Å; I335-L406 HydrophobicContact CG2-CD1 4.04Å; I335-L406 HydrophobicContact CG2-CD2 4.48Å; P389-L406 HydrophobicContact CB-CB 3.86Å; P389-L406 WeakPolarHBondContact CB-O 3.43Å; I391-L406 CarbonylContact O-C 3.6Å; I391-L406 WeakPolarHBondContact O-CA 3.44Å
407	L	85.4	Confident	82	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	159.2	-179.4	-60.6	178.5	0	0	0	110.6	L274 T390 I391 F393 E412 R413	L274-L407 HydrophobicContact CD1-CD2 4.22Å; L274-L407 HydrophobicContact CD2-CD2 3.55Å; L274-L407 HydrophobicContact CG-CD2 4.39Å; T390-L407 PolarHBondContact N-O 3Å; I391-L407 WeakPolarHBondContact CB-O 2.95Å; I391-L407 PolarHBondContact N-O 3.21Å; I391-L407 PolarHBondContact O-N 3.33Å; F393-L407 HydrophobicContact CB-CD1 3.58Å; F393-L407 HydrophobicContact CB-CG 3.98Å; F393-L407 HydrophobicContact CD1-CD1 3.93Å; F393-L407 HydrophobicContact CD2-CD1 4.49Å; F393-L407 HydrophobicContact CG-CD1 3.77Å; L407-E412 HydrophobicContact CB-CG 4.4Å; L407-E412 HydrophobicContact CD1-CG 4.49Å; L407-E412 HydrophobicContact CD2-CG 4.14Å; L407-R413 HydrophobicContact CD1-CB 3.64Å; L407-R413 HydrophobicContact CD1-CG 4.05Å
408	S	76.1	Confident	82	Confident	32 Å²	32	44.5 Å²	44.5	22%	0.224	23%	0.232	C	C	.	.	S	Bend	trans	-82.9	-22.9	-171.7	-49.2	0	0	0	0	112.4	E412	S408-E412 WeakPolarHBondContact CB-OE2 3.34Å; S408-E412 PolarHBondContact N-OE2 3.27Å; S408-E412 PolarHBondContact OG-OE2 2.73Å
409	S	75.6	Confident	82.5	Confident	12 Å²	12	40.7 Å²	40.7	8%	0.084	22%	0.219	C	C	.	.			trans	-156	159.4	-177.4	59.8	0	0	0	0	111.8	Y411 E412 R413	S409-Y411 PolarHBondContact O-N 2.89Å; S409-E412 PolarHBondContact O-N 3.15Å; S409-E412 WeakPolarHBondContact OG-CB 3.37Å; S409-E412 PolarHBondContact OG-N 3.35Å; S409-E412 VanDerWaalsContact OG-N 3.13Å; S409-R413 PolarHBondContact O-N 2.86Å; S409-R413 VanDerWaalsContact O-N 3.08Å
410	D	73.9	Confident	83.1	Confident	21 Å²	21	33.8 Å²	33.8	11%	0.112	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-31.3	169.2	-75.9	-54.9	0	0	0	112.5	R413 A414 I556	D410-R413 PolarHBondContact O-N 3.31Å; D410-R413 IonicContact OD1-CZ 3.91Å; D410-R413 VanDerWaalsContact OD1-CZ 3.26Å; D410-R413 IonicContact OD1-NE 4Å; D410-R413 PolarHBondContact OD1-NE 3.09Å; D410-R413 IonicContact OD1-NH2 2.82Å; D410-R413 PolarHBondContact OD1-NH2 3.44Å; D410-A414 WeakPolarHBondContact O-CB 3.45Å; D410-A414 PolarHBondContact O-N 2.94Å; D410-I556 HydrophobicContact CB-CD1 3.6Å
411	Y	78.8	Confident	83.8	Confident	30 Å²	30	35 Å²	35	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-53.1	172.5	-179.9	-81.2	0	0	0	111.3	S409 R413 A414 E415 L534 K559	S409-Y411 PolarHBondContact O-N 2.89Å; Y411-R413 VanDerWaalsContact C-N 3.34Å; Y411-R413 PolarHBondContact O-N 3.44Å; Y411-A414 PolarHBondContact O-N 3.24Å; Y411-E415 HydrophobicContact CD1-CG 4.23Å; Y411-E415 HydrophobicContact CE1-CG 3.74Å; Y411-E415 VanDerWaalsContact CE1-OE1 3.23Å; Y411-E415 WeakPolarHBondContact CE1-OE1 3.35Å; Y411-E415 PolarHBondContact O-N 2.89Å; Y411-E415 PolarHBondContact OH-OE1 2.82Å; Y411-L534 HydrophobicContact CD2-CD2 3.7Å; Y411-K559 HydrophobicContact CD2-CB 3.65Å; Y411-K559 HydrophobicContact CD2-CD 3.79Å; Y411-K559 HydrophobicContact CD2-CG 3.99Å; Y411-K559 HydrophobicContact CE2-CB 3.59Å; Y411-K559 HydrophobicContact CE2-CD 3.54Å; Y411-K559 HydrophobicContact CE2-CG 3.53Å
412	E	80.3	Confident	83.8	Confident	44 Å²	44	36.7 Å²	36.7	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-41.3	179.9	-179.2	176.6	-151.5	0	0	111.2	L407 S408 S409 E415 W416	L407-E412 HydrophobicContact CB-CG 4.4Å; L407-E412 HydrophobicContact CD1-CG 4.49Å; L407-E412 HydrophobicContact CD2-CG 4.14Å; S408-E412 WeakPolarHBondContact CB-OE2 3.34Å; S408-E412 PolarHBondContact N-OE2 3.27Å; S408-E412 PolarHBondContact OG-OE2 2.73Å; S409-E412 PolarHBondContact O-N 3.15Å; S409-E412 WeakPolarHBondContact OG-CB 3.37Å; S409-E412 PolarHBondContact OG-N 3.35Å; S409-E412 VanDerWaalsContact OG-N 3.13Å; E412-E415 PolarHBondContact O-N 3.49Å; E412-W416 PolarHBondContact O-N 2.91Å
413	R	84.3	Confident	83.8	Confident	49 Å²	49	35.6 Å²	35.6	19%	0.185	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-47.7	174.3	-175.5	167	66.5	164.2	3.1	112.6	P392 F393 L407 S409 D410 Y411 K417 E551	P392-R413 VanDerWaalsContact O-CD 3.3Å; P392-R413 WeakPolarHBondContact O-CD 3.19Å; P392-R413 PolarHBondContact O-NH1 2.77Å; P392-R413 VanDerWaalsContact O-NH1 3.14Å; F393-R413 HydrophobicContact CB-CG 4.4Å; F393-R413 HydrophobicContact CD2-CG 3.95Å; F393-R413 HydrophobicContact CG-CG 4.47Å; L407-R413 HydrophobicContact CD1-CB 3.64Å; L407-R413 HydrophobicContact CD1-CG 4.05Å; S409-R413 PolarHBondContact O-N 2.86Å; S409-R413 VanDerWaalsContact O-N 3.08Å; D410-R413 PolarHBondContact O-N 3.31Å; D410-R413 IonicContact OD1-CZ 3.91Å; D410-R413 VanDerWaalsContact OD1-CZ 3.26Å; D410-R413 IonicContact OD1-NE 4Å; D410-R413 PolarHBondContact OD1-NE 3.09Å; D410-R413 IonicContact OD1-NH2 2.82Å; D410-R413 PolarHBondContact OD1-NH2 3.44Å; Y411-R413 VanDerWaalsContact C-N 3.34Å; Y411-R413 PolarHBondContact O-N 3.44Å; R413-K417 VanDerWaalsContact O-CB 3.29Å; R413-K417 WeakPolarHBondContact O-CB 3.36Å; R413-K417 PolarHBondContact O-N 2.76Å; R413-E551 IonicContact CZ-OE1 3.79Å; R413-E551 IonicContact NH1-OE1 3.38Å; R413-E551 PolarHBondContact NH1-OE1 3.18Å; R413-E551 IonicContact NH1-OE2 2.71Å; R413-E551 IonicContact NH2-OE1 2.6Å
414	A	81.3	Confident	83.7	Confident	18 Å²	18	37.9 Å²	37.9	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-43.4	177.2	0	0	0	0	0	111.4	D410 Y411 K417 E418 I556	D410-A414 WeakPolarHBondContact O-CB 3.45Å; D410-A414 PolarHBondContact O-N 2.94Å; Y411-A414 PolarHBondContact O-N 3.24Å; A414-K417 PolarHBondContact O-N 3Å; A414-E418 VanDerWaalsContact O-CB 3.3Å; A414-E418 WeakPolarHBondContact O-CB 3.33Å; A414-E418 VanDerWaalsContact O-CG 3.23Å; A414-E418 WeakPolarHBondContact O-CG 3.44Å; A414-E418 PolarHBondContact O-N 3.01Å; A414-I556 HydrophobicContact CB-CD1 4.31Å
415	E	84	Confident	82.8	Confident	58 Å²	58	45 Å²	45	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-50.1	176.6	-76.3	-161.2	151.1	0	0	113.4	K270 Y411 E412 K417 E418 S419	K270-E415 IonicContact NZ-OE2 2.8Å; K270-E415 PolarHBondContact NZ-OE2 3.33Å; Y411-E415 HydrophobicContact CD1-CG 4.23Å; Y411-E415 HydrophobicContact CE1-CG 3.74Å; Y411-E415 VanDerWaalsContact CE1-OE1 3.23Å; Y411-E415 WeakPolarHBondContact CE1-OE1 3.35Å; Y411-E415 PolarHBondContact O-N 2.89Å; Y411-E415 PolarHBondContact OH-OE1 2.82Å; E412-E415 PolarHBondContact O-N 3.49Å; E415-K417 VanDerWaalsContact C-N 3.32Å; E415-K417 PolarHBondContact O-N 2.93Å; E415-E418 PolarHBondContact O-N 3.36Å; E415-S419 WeakPolarHBondContact O-CB 3.26Å; E415-S419 PolarHBondContact O-N 3.14Å; E415-S419 PolarHBondContact O-OG 3.13Å; E415-S419 VanDerWaalsContact O-OG 3.1Å
416	W	86.8	Confident	81.2	Confident	6 Å²	6	55 Å²	55	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-42.8	179.1	-84.6	102.5	0	0	0	111.6	K270 L274 V287 L289 F393 E412 I420	K270-W416 HydrophobicContact CD-CD2 4.31Å; K270-W416 HydrophobicContact CD-CE3 4.37Å; K270-W416 HydrophobicContact CD-CH2 4.37Å; K270-W416 HydrophobicContact CD-CZ2 4.29Å; K270-W416 HydrophobicContact CD-CZ3 4.41Å; K270-W416 HydrophobicContact CG-CH2 4.08Å; K270-W416 HydrophobicContact CG-CZ2 4.26Å; K270-W416 HydrophobicContact CG-CZ3 4.38Å; L274-W416 HydrophobicContact CD1-CD2 4.27Å; L274-W416 HydrophobicContact CD1-CH2 4.47Å; L274-W416 HydrophobicContact CD1-CZ2 4.08Å; L274-W416 HydrophobicContact CD2-CZ2 4.12Å; L274-W416 HydrophobicContact CG-CZ2 4.23Å; V287-W416 HydrophobicContact CB-CH2 4.2Å; V287-W416 HydrophobicContact CG1-CH2 4.09Å; V287-W416 HydrophobicContact CG1-CZ3 4.04Å; L289-W416 HydrophobicContact CB-CZ3 4.17Å; F393-W416 HydrophobicContact CE1-CB 4.05Å; F393-W416 HydrophobicContact CZ-CB 4.12Å; E412-W416 PolarHBondContact O-N 2.91Å; W416-I420 WeakPolarHBondContact O-CD1 3.5Å; W416-I420 VanDerWaalsContact O-CG1 3.3Å; W416-I420 WeakPolarHBondContact O-CG1 3.4Å; W416-I420 PolarHBondContact O-N 2.9Å; W416-I420 VanDerWaalsContact O-N 3.09Å
417	K	86.1	Confident	79.7	Confident	89 Å²	89	62.3 Å²	62.3	39%	0.387	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-51.1	176.5	-172.6	175.5	-179.6	176.8	0	111.8	F323 F393 R413 A414 E415 S419 I420 Q421	F323-K417 HydrophobicContact CD1-CG 4.33Å; F323-K417 HydrophobicContact CE1-CG 4.08Å; F323-K417 HydrophobicContact CZ-CG 4.22Å; F393-K417 HydrophobicContact CE2-CB 4.04Å; F393-K417 HydrophobicContact CZ-CB 4.5Å; R413-K417 VanDerWaalsContact O-CB 3.29Å; R413-K417 WeakPolarHBondContact O-CB 3.36Å; R413-K417 PolarHBondContact O-N 2.76Å; A414-K417 PolarHBondContact O-N 3Å; E415-K417 VanDerWaalsContact C-N 3.32Å; E415-K417 PolarHBondContact O-N 2.93Å; K417-S419 PolarHBondContact O-N 3.47Å; K417-I420 PolarHBondContact O-N 3.46Å; K417-Q421 HydrophobicContact CG-CG 4.46Å; K417-Q421 WeakPolarHBondContact O-CB 3.25Å; K417-Q421 VanDerWaalsContact O-CG 3.28Å; K417-Q421 WeakPolarHBondContact O-CG 3.25Å; K417-Q421 PolarHBondContact O-N 3.31Å
418	E	84.9	Confident	78.6	Confident	55 Å²	55	64.5 Å²	64.5	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-43.7	178.6	-76	168.4	-150.7	0	0	112.1	A414 E415 I420 Q421 K422 K559	A414-E418 VanDerWaalsContact O-CB 3.3Å; A414-E418 WeakPolarHBondContact O-CB 3.33Å; A414-E418 VanDerWaalsContact O-CG 3.23Å; A414-E418 WeakPolarHBondContact O-CG 3.44Å; A414-E418 PolarHBondContact O-N 3.01Å; E415-E418 PolarHBondContact O-N 3.36Å; E418-I420 PolarHBondContact O-N 2.87Å; E418-Q421 PolarHBondContact O-N 3.16Å; E418-K422 WeakPolarHBondContact O-CB 3.19Å; E418-K422 VanDerWaalsContact O-CG 3.22Å; E418-K422 WeakPolarHBondContact O-CG 3.39Å; E418-K422 PolarHBondContact O-N 3.37Å; E418-K559 IonicContact OE1-NZ 2.88Å; E418-K559 PolarHBondContact OE1-NZ 3.33Å; E418-K559 IonicContact OE2-NZ 3.97Å; E418-K559 PolarHBondContact OE2-NZ 3.17Å
419	S	86.1	Confident	77.9	Confident	28 Å²	28	71.2 Å²	71.2	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-43.7	178.9	-71.4	0	0	0	0	111.8	E415 K417 L423	E415-S419 WeakPolarHBondContact O-CB 3.26Å; E415-S419 PolarHBondContact O-N 3.14Å; E415-S419 PolarHBondContact O-OG 3.13Å; E415-S419 VanDerWaalsContact O-OG 3.1Å; K417-S419 PolarHBondContact O-N 3.47Å; S419-L423 WeakPolarHBondContact O-CG 3.46Å
420	I	88.3	Confident	77.2	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-48.6	176.3	-67.3	165.5	0	0	0	110.2	L289 L318 F323 F393 I395 W416 K417 E418 K422 L423 Q424	L289-I420 HydrophobicContact CD1-CG1 3.94Å; L289-I420 HydrophobicContact CD2-CG1 4.07Å; L318-I420 HydrophobicContact CD2-CG2 4.34Å; F323-I420 HydrophobicContact CE2-CG2 3.99Å; F323-I420 HydrophobicContact CZ-CB 3.88Å; F323-I420 HydrophobicContact CZ-CD1 4.25Å; F323-I420 HydrophobicContact CZ-CG2 3.58Å; F393-I420 HydrophobicContact CE1-CD1 4.48Å; F393-I420 HydrophobicContact CZ-CD1 4.17Å; I395-I420 HydrophobicContact CD1-CD1 4.05Å; W416-I420 WeakPolarHBondContact O-CD1 3.5Å; W416-I420 VanDerWaalsContact O-CG1 3.3Å; W416-I420 WeakPolarHBondContact O-CG1 3.4Å; W416-I420 PolarHBondContact O-N 2.9Å; W416-I420 VanDerWaalsContact O-N 3.09Å; K417-I420 PolarHBondContact O-N 3.46Å; E418-I420 PolarHBondContact O-N 2.87Å; I420-K422 PolarHBondContact O-N 2.84Å; I420-L423 PolarHBondContact O-N 2.73Å; I420-L423 VanDerWaalsContact O-N 3.11Å; I420-Q424 HydrophobicContact CG2-CG 4.34Å; I420-Q424 WeakPolarHBondContact O-CG 3.13Å; I420-Q424 PolarHBondContact O-N 2.75Å; I420-Q424 VanDerWaalsContact O-N 3.14Å
421	Q	85.9	Confident	76.8	Confident	92 Å²	92	73.5 Å²	73.5	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-37.9	-177.8	-74	-178.9	-34.9	0	0	113.3	F323 K417 E418 L423 Q424	F323-Q421 HydrophobicContact CD2-CG 4.15Å; F323-Q421 HydrophobicContact CE2-CG 3.55Å; F323-Q421 HydrophobicContact CZ-CG 4.24Å; K417-Q421 HydrophobicContact CG-CG 4.46Å; K417-Q421 WeakPolarHBondContact O-CB 3.25Å; K417-Q421 VanDerWaalsContact O-CG 3.28Å; K417-Q421 WeakPolarHBondContact O-CG 3.25Å; K417-Q421 PolarHBondContact O-N 3.31Å; E418-Q421 PolarHBondContact O-N 3.16Å; Q421-L423 PolarHBondContact O-N 3.14Å; Q421-Q424 PolarHBondContact O-N 3.4Å
422	K	84.8	Confident	76.2	Confident	149 Å²	149	78 Å²	78	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-31	175.6	-79.3	172.9	-176.9	173.6	0	112.4	E418 I420	E418-K422 WeakPolarHBondContact O-CB 3.19Å; E418-K422 VanDerWaalsContact O-CG 3.22Å; E418-K422 WeakPolarHBondContact O-CG 3.39Å; E418-K422 PolarHBondContact O-N 3.37Å; I420-K422 PolarHBondContact O-N 2.84Å
423	L	84.5	Confident	75.9	Confident	35 Å²	35	77.2 Å²	77.2	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-86.2	-25.2	-179.9	-64.6	173	0	0	0	112.5	V269 L289 F290 L318 S419 I420 Q421 K425 L428	V269-L423 HydrophobicContact CB-CD1 4.19Å; V269-L423 HydrophobicContact CG1-CD1 4.25Å; V269-L423 HydrophobicContact CG2-CD1 3.93Å; V269-L423 HydrophobicContact CG2-CD2 4.29Å; L289-L423 HydrophobicContact CD1-CD1 3.97Å; L289-L423 HydrophobicContact CD2-CD1 3.94Å; L289-L423 HydrophobicContact CG-CD1 3.82Å; F290-L423 WeakPolarHBondContact O-CD1 3.24Å; L318-L423 HydrophobicContact CD1-CB 3.5Å; L318-L423 VanDerWaalsContact CD1-CB 3.5Å; L318-L423 HydrophobicContact CD1-CD1 3.95Å; L318-L423 HydrophobicContact CD1-CG 4.39Å; S419-L423 WeakPolarHBondContact O-CG 3.46Å; I420-L423 PolarHBondContact O-N 2.73Å; I420-L423 VanDerWaalsContact O-N 3.11Å; Q421-L423 PolarHBondContact O-N 3.14Å; L423-K425 VanDerWaalsContact C-N 3.26Å; L423-K425 PolarHBondContact O-N 3.41Å; L423-L428 WeakPolarHBondContact O-CD1 3.42Å
424	Q	84.6	Confident	75.6	Confident	58 Å²	58	78 Å²	78	27%	0.271	39%	0.393	S	S	.	.			trans	-69	69.2	177.2	-71.8	-178.8	-44.3	0	0	113.6	L318 L321 I420 Q421	L318-Q424 HydrophobicContact CB-CG 4.11Å; L318-Q424 PolarHBondContact O-NE2 2.76Å; L321-Q424 PolarHBondContact O-NE2 3.17Å; I420-Q424 HydrophobicContact CG2-CG 4.34Å; I420-Q424 WeakPolarHBondContact O-CG 3.13Å; I420-Q424 PolarHBondContact O-N 2.75Å; I420-Q424 VanDerWaalsContact O-N 3.14Å; Q421-Q424 PolarHBondContact O-N 3.4Å
425	K	70.4	Confident	75.3	Confident	163 Å²	163	81.8 Å²	81.8	71%	0.709	42%	0.419	S	S	*	.			trans	-72.6	150.1	170.9	-63.7	-177.9	-177.3	176.7	0	111.4	L423 D427 L428	L423-K425 VanDerWaalsContact C-N 3.26Å; L423-K425 PolarHBondContact O-N 3.41Å; K425-D427 PolarHBondContact O-N 3.41Å; K425-D427 VanDerWaalsContact O-N 3.09Å; K425-L428 PolarHBondContact O-N 3.26Å
426	K	55.7	Low	74.9	Confident	213 Å²	213	83.2 Å²	83.2	93%	0.926	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.7	-175.7	-77.2	-174.6	174.6	-178.5	0	115.6
427	D	55.5	Low	74.4	Confident	154 Å²	154	83 Å²	83	82%	0.824	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	16.5	-175.7	-61.4	-41	0	0	0	114.2	K425 Q429	K425-D427 PolarHBondContact O-N 3.41Å; K425-D427 VanDerWaalsContact O-N 3.09Å; D427-Q429 PolarHBondContact O-N 2.89Å
428	L	63.7	Low	73.9	Confident	48 Å²	48	81.1 Å²	81.1	25%	0.251	43%	0.425	S	S	.	.			trans	-66.3	117.3	174.9	-88.8	157.3	0	0	0	110.4	D292 L318 A319 L423 K425	D292-L428 HydrophobicContact CB-CD2 3.96Å; L318-L428 HydrophobicContact CB-CD1 4.46Å; A319-L428 HydrophobicContact CB-CB 3.88Å; A319-L428 WeakPolarHBondContact CB-O 3.21Å; L423-L428 WeakPolarHBondContact O-CD1 3.42Å; K425-L428 PolarHBondContact O-N 3.26Å
429	Q	59.9	Low	73.5	Confident	172 Å²	172	84.8 Å²	84.8	80%	0.804	44%	0.442	S	S	*	.			trans	-72.5	141.2	173.4	-68.1	-174.3	-2.9	0	0	110.5	D427 C431	D427-Q429 PolarHBondContact O-N 2.89Å; Q429-C431 PolarHBondContact O-N 3.16Å; Q429-C431 VanDerWaalsContact O-N 3.16Å
430	A	61.6	Low	73	Confident	55 Å²	55	85.8 Å²	85.8	46%	0.455	45%	0.447	S	S	.	.			trans	-64.6	114.5	169.4	0	0	0	0	0	109.1
431	C	65.9	Low	72.4	Confident	27 Å²	27	85.7 Å²	85.7	18%	0.182	45%	0.446	C	S	.	.			trans	-96.8	130.6	177.2	-174.8	0	0	0	0	110.5	R266 P317 Q429	R266-C431 PolarHBondContact NH2-SG 3.37Å; P317-C431 WeakPolarHBondContact CG-O 3.39Å; Q429-C431 PolarHBondContact O-N 3.16Å; Q429-C431 VanDerWaalsContact O-N 3.16Å
432	V	66.5	Low	71.9	Confident	124 Å²	124	82.6 Å²	82.6	75%	0.752	43%	0.434	S	S	*	.			trans	-107.1	109.1	169.4	-177.3	0	0	0	0	108
433	L	73.3	Confident	71.3	Confident	28 Å²	28	79.3 Å²	79.3	15%	0.147	43%	0.429	C	S	.	.			trans	-75.5	134.6	177.7	-63.3	173	0	0	0	110.9	L293 E437 L438 L441	L293-L433 HydrophobicContact CD2-CD1 3.91Å; L433-E437 HydrophobicContact CB-CB 4.36Å; L433-E437 HydrophobicContact CD2-CB 4.11Å; L433-L438 HydrophobicContact CB-CD2 4.22Å; L433-L438 HydrophobicContact CB-CG 3.94Å; L433-L438 HydrophobicContact CD1-CD2 3.68Å; L433-L438 HydrophobicContact CD1-CG 4.25Å; L433-L441 HydrophobicContact CD1-CD1 3.61Å; L433-L441 HydrophobicContact CD2-CD1 4Å; L433-L441 HydrophobicContact CG-CD1 4.47Å
434	T	77.2	Confident	70.8	Confident	64 Å²	64	78.9 Å²	78.9	39%	0.393	43%	0.429	S	S	.	.			trans	-75.1	164.1	169	62.3	0	0	0	0	111.4	V436 E437 L438	T434-V436 PolarHBondContact O-N 3.21Å; T434-E437 WeakPolarHBondContact CB-OE2 3.33Å; T434-E437 WeakPolarHBondContact CG2-OE2 3.15Å; T434-E437 PolarHBondContact N-OE2 3.32Å; T434-E437 PolarHBondContact O-N 3.36Å; T434-E437 VanDerWaalsContact O-N 3.15Å; T434-E437 VanDerWaalsContact OG1-CD 3.31Å; T434-E437 WeakPolarHBondContact OG1-CG 3.41Å; T434-E437 PolarHBondContact OG1-N 2.93Å; T434-E437 PolarHBondContact OG1-OE2 3.45Å; T434-L438 PolarHBondContact O-N 3.4Å
435	S	75.4	Confident	70.2	Confident	99 Å²	99	76.2 Å²	76.2	69%	0.692	42%	0.417	S	S	*	.	H	α-helix	trans	-57.4	-34.4	177.3	-172.1	0	0	0	0	113.1	Q439	S435-Q439 PolarHBondContact O-N 2.77Å; S435-Q439 VanDerWaalsContact O-N 3.1Å
436	V	75.8	Confident	70.2	Confident	87 Å²	87	71.1 Å²	71.1	53%	0.527	40%	0.395	S	S	.	.	H	α-helix	trans	-71.4	-42.1	178.5	-179.1	0	0	0	0	110.6	P261 T434 L438 Q439 V440	P261-V436 HydrophobicContact CG-CG1 4.31Å; T434-V436 PolarHBondContact O-N 3.21Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 PolarHBondContact O-N 3.18Å; V436-Q439 PolarHBondContact O-N 2.88Å; V436-V440 WeakPolarHBondContact O-CG2 3.47Å; V436-V440 PolarHBondContact O-N 2.92Å
437	E	75.4	Confident	70.6	Confident	2 Å²	2	69 Å²	69	1%	0.009	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-40.6	177.1	-68.2	170.4	126.7	0	0	111.6	T260 K262 L433 T434 Q439 V440 L441	T260-E437 HydrophobicContact CG2-CB 4.36Å; T260-E437 HydrophobicContact CG2-CG 4.46Å; K262-E437 WeakPolarHBondContact CD-OE1 3.28Å; K262-E437 WeakPolarHBondContact CE-OE1 3.38Å; K262-E437 VanDerWaalsContact CG-OE1 3.31Å; K262-E437 WeakPolarHBondContact CG-OE1 3.04Å; K262-E437 IonicContact NZ-OE1 3.57Å; K262-E437 PolarHBondContact NZ-OE1 2.92Å; K262-E437 IonicContact NZ-OE2 3.23Å; K262-E437 PolarHBondContact NZ-OE2 2.95Å; L433-E437 HydrophobicContact CB-CB 4.36Å; L433-E437 HydrophobicContact CD2-CB 4.11Å; T434-E437 WeakPolarHBondContact CB-OE2 3.33Å; T434-E437 WeakPolarHBondContact CG2-OE2 3.15Å; T434-E437 PolarHBondContact N-OE2 3.32Å; T434-E437 PolarHBondContact O-N 3.36Å; T434-E437 VanDerWaalsContact O-N 3.15Å; T434-E437 VanDerWaalsContact OG1-CD 3.31Å; T434-E437 WeakPolarHBondContact OG1-CG 3.41Å; T434-E437 PolarHBondContact OG1-N 2.93Å; T434-E437 PolarHBondContact OG1-OE2 3.45Å; E437-Q439 VanDerWaalsContact C-N 3.35Å; E437-V440 PolarHBondContact O-N 3.11Å; E437-L441 WeakPolarHBondContact O-CB 3.42Å; E437-L441 WeakPolarHBondContact O-CG 3.47Å; E437-L441 PolarHBondContact O-N 3.36Å
438	L	77.2	Confident	70.9	Confident	49 Å²	49	62.3 Å²	62.3	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-41.8	173.2	-77.2	168.1	0	0	0	111.7	I312 C315 L433 T434 V436 L441 T442	I312-L438 HydrophobicContact CD1-CB 4.36Å; I312-L438 HydrophobicContact CD1-CD2 3.9Å; C315-L438 HydrophobicContact CB-CD2 4.17Å; L433-L438 HydrophobicContact CB-CD2 4.22Å; L433-L438 HydrophobicContact CB-CG 3.94Å; L433-L438 HydrophobicContact CD1-CD2 3.68Å; L433-L438 HydrophobicContact CD1-CG 4.25Å; T434-L438 PolarHBondContact O-N 3.4Å; V436-L438 VanDerWaalsContact C-N 3.34Å; V436-L438 PolarHBondContact O-N 3.18Å; L438-L441 PolarHBondContact O-N 2.96Å; L438-T442 WeakPolarHBondContact O-CB 3.24Å; L438-T442 PolarHBondContact O-N 3.27Å; L438-T442 PolarHBondContact O-OG1 3.25Å
439	Q	75.3	Confident	70.9	Confident	132 Å²	132	61.3 Å²	61.3	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-44.3	178.2	-167.8	176.1	-1.7	0	0	111.7	S435 V436 E437 T442 S443	S435-Q439 PolarHBondContact O-N 2.77Å; S435-Q439 VanDerWaalsContact O-N 3.1Å; V436-Q439 PolarHBondContact O-N 2.88Å; E437-Q439 VanDerWaalsContact C-N 3.35Å; Q439-T442 WeakPolarHBondContact O-CB 3.38Å; Q439-T442 PolarHBondContact O-N 3.03Å; Q439-S443 PolarHBondContact O-N 3.18Å; Q439-S443 PolarHBondContact O-OG 3.25Å
440	V	76.4	Confident	70.6	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.297	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-46	175.4	172.1	0	0	0	0	111.4	V258 P261 V436 E437 S443 S444	V258-V440 HydrophobicContact CG1-CG1 4.11Å; P261-V440 HydrophobicContact CG-CG2 4.46Å; V436-V440 WeakPolarHBondContact O-CG2 3.47Å; V436-V440 PolarHBondContact O-N 2.92Å; E437-V440 PolarHBondContact O-N 3.11Å; V440-S443 PolarHBondContact O-N 3.14Å; V440-S444 WeakPolarHBondContact O-CB 3.29Å; V440-S444 PolarHBondContact O-N 3.44Å; V440-S444 PolarHBondContact O-OG 3.4Å
441	L	75.5	Confident	70.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-42.3	176.2	-79.8	164	0	0	0	111.6	V258 T260 F290 L293 L433 E437 L438 S444 C445	V258-L441 HydrophobicContact CB-CD2 4.11Å; V258-L441 HydrophobicContact CG1-CD2 3.94Å; V258-L441 HydrophobicContact CG2-CD2 4.46Å; T260-L441 HydrophobicContact CG2-CD1 4.24Å; T260-L441 HydrophobicContact CG2-CG 4.21Å; F290-L441 HydrophobicContact CE1-CD2 4.36Å; F290-L441 HydrophobicContact CZ-CD2 4.37Å; L293-L441 HydrophobicContact CD2-CD1 4.4Å; L433-L441 HydrophobicContact CD1-CD1 3.61Å; L433-L441 HydrophobicContact CD2-CD1 4Å; L433-L441 HydrophobicContact CG-CD1 4.47Å; E437-L441 WeakPolarHBondContact O-CB 3.42Å; E437-L441 WeakPolarHBondContact O-CG 3.47Å; E437-L441 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 2.96Å; L441-S444 PolarHBondContact O-N 2.98Å; L441-C445 PolarHBondContact O-N 2.82Å; L441-C445 PolarHBondContact O-SG 3.04Å
442	T	74.6	Confident	69.5	Low	27 Å²	27	58.4 Å²	58.4	17%	0.166	32%	0.323	C	S	.	.	H	α-helix	trans	-59.2	-49.3	177.3	-51.9	0	0	0	0	111.4	L310 I312 L438 Q439 S444 C445	L310-T442 HydrophobicContact CB-CG2 3.74Å; L310-T442 WeakPolarHBondContact O-CG2 3.4Å; I312-T442 WeakPolarHBondContact CD1-OG1 3.4Å; I312-T442 HydrophobicContact CG1-CG2 4.36Å; I312-T442 WeakPolarHBondContact CG1-OG1 3.4Å; L438-T442 WeakPolarHBondContact O-CB 3.24Å; L438-T442 PolarHBondContact O-N 3.27Å; L438-T442 PolarHBondContact O-OG1 3.25Å; Q439-T442 WeakPolarHBondContact O-CB 3.38Å; Q439-T442 PolarHBondContact O-N 3.03Å; T442-S444 PolarHBondContact O-N 2.85Å; T442-C445 PolarHBondContact O-N 2.69Å
443	S	73.1	Confident	68.9	Low	79 Å²	79	56.3 Å²	56.3	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-63.5	-33.3	178.1	-61.3	0	0	0	0	112	Q439 V440	Q439-S443 PolarHBondContact O-N 3.18Å; Q439-S443 PolarHBondContact O-OG 3.25Å; V440-S443 PolarHBondContact O-N 3.14Å
444	S	73.4	Confident	68	Low	27 Å²	27	56.2 Å²	56.2	19%	0.189	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-37.4	177.3	-55.4	0	0	0	0	112.3	V258 V440 L441 T442 F446 K447 L448	V258-S444 WeakPolarHBondContact CG1-OG 3.32Å; V258-S444 VanDerWaalsContact CG2-CB 3.46Å; V440-S444 WeakPolarHBondContact O-CB 3.29Å; V440-S444 PolarHBondContact O-N 3.44Å; V440-S444 PolarHBondContact O-OG 3.4Å; L441-S444 PolarHBondContact O-N 2.98Å; T442-S444 PolarHBondContact O-N 2.85Å; S444-F446 PolarHBondContact O-N 2.74Å; S444-F446 VanDerWaalsContact O-N 3.15Å; S444-K447 PolarHBondContact O-N 2.81Å; S444-L448 WeakPolarHBondContact O-CB 3.15Å; S444-L448 VanDerWaalsContact O-CG 3.29Å; S444-L448 WeakPolarHBondContact O-CG 3.38Å; S444-L448 PolarHBondContact O-N 3.47Å
445	C	73.4	Confident	66.8	Low	1 Å²	1	56.3 Å²	56.3	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-34.3	177.3	-70.7	0	0	0	0	112.4	F288 L310 L441 T442 K447 L448 R449	F288-C445 HydrophobicContact CD1-CB 4.16Å; F288-C445 HydrophobicContact CE1-CB 3.75Å; F288-C445 HydrophobicContact CE2-CB 4.24Å; F288-C445 HydrophobicContact CZ-CB 3.78Å; L310-C445 HydrophobicContact CD1-CB 3.79Å; L441-C445 PolarHBondContact O-N 2.82Å; L441-C445 PolarHBondContact O-SG 3.04Å; T442-C445 PolarHBondContact O-N 2.69Å; C445-K447 VanDerWaalsContact C-N 3.32Å; C445-K447 PolarHBondContact O-N 3.28Å; C445-L448 PolarHBondContact O-N 3.14Å; C445-R449 WeakPolarHBondContact O-CB 3.22Å; C445-R449 PolarHBondContact O-N 3.22Å
446	F	68.8	Low	65.6	Low	56 Å²	56	52.3 Å²	52.3	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-35.2	176.4	-171.9	-91	0	0	0	113.1	S444 R449	S444-F446 PolarHBondContact O-N 2.74Å; S444-F446 VanDerWaalsContact O-N 3.15Å; F446-R449 VanDerWaalsContact CZ-NH2 3.27Å; F446-R449 WeakPolarHBondContact O-CG 3.36Å; F446-R449 PolarHBondContact O-NE 2.88Å; F446-R449 VanDerWaalsContact O-NE 3.14Å
447	K	64.4	Low	64	Low	169 Å²	169	48.9 Å²	48.9	74%	0.735	26%	0.259	S	S	*	.	H	α-helix	trans	-83.5	-31.1	177.9	-61.8	-174.3	178	-171.1	0	112.9	S444 C445	S444-K447 PolarHBondContact O-N 2.81Å; C445-K447 VanDerWaalsContact C-N 3.32Å; C445-K447 PolarHBondContact O-N 3.28Å
448	L	61.2	Low	62.4	Low	13 Å²	13	52.4 Å²	52.4	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-90.2	-21.4	-174.2	-65.1	178.7	0	0	0	113.6	P253 V258 L268 F290 S444 C445 T450	P253-L448 WeakPolarHBondContact O-CD2 3.46Å; V258-L448 HydrophobicContact CG2-CD1 3.25Å; L268-L448 HydrophobicContact CB-CB 4.5Å; L268-L448 HydrophobicContact CB-CD1 4.46Å; L268-L448 HydrophobicContact CD2-CB 3.82Å; L268-L448 VanDerWaalsContact CD2-O 3.26Å; L268-L448 WeakPolarHBondContact CD2-O 3.39Å; F290-L448 HydrophobicContact CE1-CD1 4.35Å; S444-L448 WeakPolarHBondContact O-CB 3.15Å; S444-L448 VanDerWaalsContact O-CG 3.29Å; S444-L448 WeakPolarHBondContact O-CG 3.38Å; S444-L448 PolarHBondContact O-N 3.47Å; C445-L448 PolarHBondContact O-N 3.14Å; L448-T450 PolarHBondContact O-N 3.14Å
449	R	64.2	Low	60.5	Low	27 Å²	27	54 Å²	54	10%	0.102	29%	0.29	C	S	.	.			trans	-52.7	131	-179.3	64.4	-169.9	174.1	154.2	6.2	110.1	F288 C445 F446 H452	F288-R449 HydrophobicContact CE1-CB 4.03Å; C445-R449 WeakPolarHBondContact O-CB 3.22Å; C445-R449 PolarHBondContact O-N 3.22Å; F446-R449 VanDerWaalsContact CZ-NH2 3.27Å; F446-R449 WeakPolarHBondContact O-CG 3.36Å; F446-R449 PolarHBondContact O-NE 2.88Å; F446-R449 VanDerWaalsContact O-NE 3.14Å; R449-H452 PolarHBondContact NH1-O 2.82Å; R449-H452 PolarHBondContact O-CE1 2.9Å
450	T	53.5	Low	58.7	Low	67 Å²	67	55.1 Å²	55.1	41%	0.411	29%	0.293	S	S	.	.	S	Bend	trans	-85.2	-28.3	169.8	63.2	0	0	0	0	110.1	R254 D271 L448 H452	R254-T450 HydrophobicContact CG-CG2 3.5Å; D271-T450 WeakPolarHBondContact OD1-CB 3.49Å; D271-T450 PolarHBondContact OD1-N 2.76Å; D271-T450 PolarHBondContact OD1-OG1 3.47Å; D271-T450 PolarHBondContact OD2-N 3.2Å; L448-T450 PolarHBondContact O-N 3.14Å; T450-H452 PolarHBondContact O-N 2.98Å; T450-H452 PolarHBondContact O-ND1 2.84Å
451	V	54.7	Low	56.9	Low	26 Å²	26	59.2 Å²	59.2	16%	0.158	31%	0.313	C	S	.	.			trans	-97.4	94.2	-179.9	-169.7	0	0	0	0	109.3	D271 F273 H286 N453 P455	D271-V451 WeakPolarHBondContact OD2-CB 3.17Å; D271-V451 PolarHBondContact OD2-N 2.69Å; F273-V451 HydrophobicContact CD2-CG1 3.68Å; F273-V451 HydrophobicContact CE2-CB 4.42Å; F273-V451 HydrophobicContact CE2-CG1 3.7Å; H286-V451 PolarHBondContact CE1-O 3.13Å; V451-N453 WeakPolarHBondContact CG1-O 3.47Å; V451-P455 HydrophobicContact CG1-CB 4.09Å; V451-P455 HydrophobicContact CG1-CG 3.58Å
452	H	50	Low	55.2	Low	100 Å²	100	65.3 Å²	65.3	46%	0.463	35%	0.346	S	S	.	.			trans	-79.4	-33.5	-176.5	-68.7	74.8	0	0	0	112.8	R449 T450	R449-H452 PolarHBondContact NH1-O 2.82Å; R449-H452 PolarHBondContact O-CE1 2.9Å; T450-H452 PolarHBondContact O-N 2.98Å; T450-H452 PolarHBondContact O-ND1 2.84Å
453	N	53.8	Low	53.7	Low	80 Å²	80	72.8 Å²	72.8	43%	0.428	38%	0.379	S	S	.	.	S	Bend	trans	-125.6	157.1	178.4	-69.6	-35.3	0	0	0	110	V451 P455 N459	V451-N453 WeakPolarHBondContact CG1-O 3.47Å; N453-P455 WeakPolarHBondContact O-CD 3.23Å; N453-N459 PolarHBondContact ND2-ND2 3.18Å
454	I	55.8	Low	52.5	Low	27 Å²	27	72.7 Å²	72.7	14%	0.138	37%	0.37	C	S	.	.			trans	-55	110.5	173.3	-66.5	173.5	0	0	0	107.8	F273 L284 S382 L385 V456	F273-I454 HydrophobicContact CD2-CG1 4.42Å; F273-I454 HydrophobicContact CE2-CG1 4.41Å; F273-I454 HydrophobicContact CG-CG1 4.48Å; F273-I454 HydrophobicContact CZ-CG1 4.49Å; L284-I454 HydrophobicContact CD2-CD1 3.57Å; L284-I454 HydrophobicContact CD2-CG1 4.09Å; S382-I454 VanDerWaalsContact CB-CD1 3.42Å; S382-I454 VanDerWaalsContact OG-CD1 3.28Å; S382-I454 WeakPolarHBondContact OG-CD1 3.31Å; L385-I454 HydrophobicContact CB-CG2 3.97Å; L385-I454 HydrophobicContact CD2-CG2 3.48Å; L385-I454 VanDerWaalsContact CD2-CG2 3.48Å; L385-I454 HydrophobicContact CG-CG2 4.37Å; I454-V456 HydrophobicContact CG2-CG2 4.42Å; I454-V456 PolarHBondContact O-N 3.37Å
455	P	51.3	Low	51.4	Low	65 Å²	65	74.4 Å²	74.4	42%	0.422	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	82.8	-167.5	35.2	-33.1	0	0	0	107.6	V451 N453	V451-P455 HydrophobicContact CG1-CB 4.09Å; V451-P455 HydrophobicContact CG1-CG 3.58Å; N453-P455 WeakPolarHBondContact O-CD 3.23Å
456	V	49.9	Very low	50.9	Low	16 Å²	16	79.4 Å²	79.4	10%	0.097	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-32.2	156.2	-178	0	0	0	0	108.5	E381 L384 L385 I454	E381-V456 HydrophobicContact CB-CB 3.81Å; E381-V456 HydrophobicContact CB-CG2 3.66Å; E381-V456 HydrophobicContact CG-CB 3.76Å; E381-V456 HydrophobicContact CG-CG1 4.3Å; E381-V456 HydrophobicContact CG-CG2 4.17Å; E381-V456 VanDerWaalsContact O-CG2 3.27Å; E381-V456 WeakPolarHBondContact O-CG2 3.48Å; L384-V456 HydrophobicContact CD2-CG1 3.81Å; L385-V456 HydrophobicContact CB-CG2 4.18Å; I454-V456 HydrophobicContact CG2-CG2 4.42Å; I454-V456 PolarHBondContact O-N 3.37Å
457	T	42.2	Very low	51	Low	14 Å²	14	77.5 Å²	77.5	9%	0.086	41%	0.408	C	S	.	.	S	Bend	trans	-132	129.1	177.5	70.3	0	0	0	0	109.9	K354 E381 N459 F497	K354-T457 VanDerWaalsContact CE-CG2 3.44Å; K354-T457 WeakPolarHBondContact CE-OG1 3.41Å; K354-T457 PolarHBondContact NZ-OG1 3.37Å; E381-T457 WeakPolarHBondContact OE1-CB 3.44Å; E381-T457 WeakPolarHBondContact OE1-CG2 3.43Å; E381-T457 PolarHBondContact OE1-OG1 3.05Å; T457-N459 PolarHBondContact O-N 3.39Å; T457-F497 HydrophobicContact CG2-CB 4.48Å
458	T	42.7	Very low	51.7	Low	77 Å²	77	69.9 Å²	69.9	47%	0.472	38%	0.375	S	S	.	.			trans	-57.7	109.3	179.5	24	0	0	0	0	108.6	K460 E464	T458-K460 PolarHBondContact O-N 3.13Å; T458-E464 PolarHBondContact OG1-OE1 3.25Å; T458-E464 PolarHBondContact OG1-OE2 2.87Å
459	N	36.2	Very low	52.6	Low	82 Å²	82	73.6 Å²	73.6	44%	0.439	39%	0.389	S	S	.	.			trans	-74.6	46.8	163.3	-75.6	-58.4	0	0	0	109.5	N453 T457	N453-N459 PolarHBondContact ND2-ND2 3.18Å; T457-N459 PolarHBondContact O-N 3.39Å
460	K	37.2	Very low	53.4	Low	155 Å²	155	72.3 Å²	72.3	67%	0.674	38%	0.384	S	S	*	.	S	Bend	trans	-90.5	144.1	159.4	-70.6	-170.3	176.4	-174.7	0	105.6	T458	T458-K460 PolarHBondContact O-N 3.13Å
461	D	39.3	Very low	55	Low	136 Å²	136	69.6 Å²	69.6	73%	0.727	37%	0.366	S	S	*	.			trans	-52.1	157.6	-156.5	-57.6	-68.8	0	0	0	114.6	E463	D461-E463 PolarHBondContact O-N 3.42Å
462	D	40.4	Very low	56.7	Low	127 Å²	127	68.4 Å²	68.4	68%	0.679	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	22.4	-168.3	-67.7	-77.9	0	0	0	117	K361 R374	K361-D462 IonicContact NZ-OD1 2.77Å; K361-D462 PolarHBondContact NZ-OD1 3.42Å; K361-D462 IonicContact NZ-OD2 2.65Å; K361-D462 PolarHBondContact NZ-OD2 3.27Å; R374-D462 IonicContact NH2-OD2 3.9Å
463	E	43	Very low	58.7	Low	185 Å²	185	64.8 Å²	64.8	86%	0.864	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	7.4	175.6	-71.6	-121.2	138	0	0	113.7	D461 T465	D461-E463 PolarHBondContact O-N 3.42Å; E463-T465 PolarHBondContact O-N 2.97Å
464	E	47.3	Very low	60.6	Low	77 Å²	77	61 Å²	61	36%	0.36	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-65.5	131	176.1	-95.9	-173.3	-169.2	0	0	112.1	T458 Q529	T458-E464 PolarHBondContact OG1-OE1 3.25Å; T458-E464 PolarHBondContact OG1-OE2 2.87Å; E464-Q529 PolarHBondContact OE2-NE2 2.91Å; E464-Q529 VanDerWaalsContact OE2-NE2 3.12Å
465	T	49.7	Very low	62.5	Low	62 Å²	62	60.8 Å²	60.8	38%	0.38	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-53.5	132.1	175.5	30.4	0	0	0	0	110.7	E463 G467	E463-T465 PolarHBondContact O-N 2.97Å; T465-G467 PolarHBondContact O-N 2.92Å; T465-G467 VanDerWaalsContact O-N 3.13Å
466	P	63.6	Low	64.6	Low	107 Å²	107	57.7 Å²	57.7	70%	0.695	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-60.3	123.3	177.1	24.3	-31.6	0	0	0	108.6
467	G	71.4	Confident	66.7	Low	16 Å²	16	60.7 Å²	60.7	17%	0.165	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-53.5	156	178.1	0	0	0	0	0	112	T465 Y469	T465-G467 PolarHBondContact O-N 2.92Å; T465-G467 VanDerWaalsContact O-N 3.13Å; G467-Y469 VanDerWaalsContact O-CD2 3.24Å; G467-Y469 WeakPolarHBondContact O-CD2 3.29Å; G467-Y469 WeakPolarHBondContact O-CE2 3.34Å
468	L	79.1	Confident	69.3	Low	8 Å²	8	61 Å²	61	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	137.1	-173.8	-69	-179	0	0	0	112	L525 G527 S528 L564 P566 F592	L468-L525 HydrophobicContact CB-CD1 3.62Å; L468-L525 HydrophobicContact CD1-CD1 4.2Å; L468-L525 VanDerWaalsContact O-CB 3.27Å; L468-L525 WeakPolarHBondContact O-CB 3.27Å; L468-G527 WeakPolarHBondContact O-CA 3.49Å; L468-G527 PolarHBondContact O-N 2.79Å; L468-S528 PolarHBondContact N-O 3.22Å; L468-S528 PolarHBondContact O-N 3.37Å; L468-L564 HydrophobicContact CD1-CB 3.95Å; L468-P566 HydrophobicContact CD2-CB 3.87Å; L468-P566 HydrophobicContact CD2-CG 3.7Å; L468-P566 HydrophobicContact CG-CG 4.46Å; L468-F592 HydrophobicContact CB-CD2 4.47Å; L468-F592 HydrophobicContact CB-CE2 3.94Å; L468-F592 HydrophobicContact CB-CZ 4.3Å; L468-F592 HydrophobicContact CD1-CD2 4.07Å; L468-F592 HydrophobicContact CD1-CE2 4.32Å; L468-F592 HydrophobicContact CD1-CG 4.32Å; L468-F592 HydrophobicContact CD2-CE1 4.25Å; L468-F592 HydrophobicContact CD2-CE2 4.42Å; L468-F592 HydrophobicContact CD2-CZ 4.14Å; L468-F592 HydrophobicContact CG-CE2 4.48Å
469	Y	79.2	Confident	71.7	Confident	91 Å²	91	57.3 Å²	57.3	36%	0.357	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.8	173.3	-66.9	-94.6	0	0	0	110.1	G467 G527 F592	G467-Y469 VanDerWaalsContact O-CD2 3.24Å; G467-Y469 WeakPolarHBondContact O-CD2 3.29Å; G467-Y469 WeakPolarHBondContact O-CE2 3.34Å; Y469-G527 VanDerWaalsContact CE1-N 3.28Å; Y469-F592 WeakPolarHBondContact O-CZ 3.41Å
470	G	81.3	Confident	74.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-146.7	-175.1	0	0	0	0	0	112.3	L525	G470-L525 PolarHBondContact N-O 2.8Å; G470-L525 PolarHBondContact O-N 2.76Å
471	F	86.8	Confident	77	Confident	11 Å²	11	50.9 Å²	50.9	5%	0.048	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.2	-178.4	-62.9	-88.6	0	0	0	109.9	E522 I523 E524 T593 S598	F471-E522 HydrophobicContact CB-CG 4.1Å; F471-E522 HydrophobicContact CD1-CG 3.79Å; F471-E522 HydrophobicContact CG-CG 4.29Å; F471-I523 CarbonylContact C-O 3.59Å; F471-I523 WeakPolarHBondContact CA-O 3.47Å; F471-E524 HydrophobicContact CD1-CB 4.3Å; F471-E524 HydrophobicContact CE1-CB 4.07Å; F471-E524 HydrophobicContact CE1-CG 4.36Å; F471-T593 PolarHBondContact N-O 3.22Å; F471-T593 PolarHBondContact O-N 3.41Å; F471-S598 WeakPolarHBondContact CD2-OG 3.09Å; F471-S598 VanDerWaalsContact CE2-CB 3.43Å; F471-S598 WeakPolarHBondContact CE2-OG 3.42Å
472	L	91.2	Very high	79.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.1	169.3	-171.8	68.4	0	0	0	108.6	V474 I523 L525 L531 L564 V569 M590	L472-V474 HydrophobicContact CD2-CG2 3.64Å; L472-V474 HydrophobicContact CG-CG2 3.63Å; L472-I523 HydrophobicContact CB-CB 4.49Å; L472-I523 PolarHBondContact N-O 3.46Å; L472-I523 PolarHBondContact O-N 3.23Å; L472-L525 HydrophobicContact CB-CD1 3.86Å; L472-L525 HydrophobicContact CB-CD2 3.94Å; L472-L525 HydrophobicContact CB-CG 3.88Å; L472-L525 HydrophobicContact CD2-CD2 4.33Å; L472-L531 HydrophobicContact CD2-CB 4.47Å; L472-L531 HydrophobicContact CD2-CD2 4.16Å; L472-L564 HydrophobicContact CD1-CD2 4.25Å; L472-L564 HydrophobicContact CD2-CD1 4.24Å; L472-L564 HydrophobicContact CD2-CD2 3.8Å; L472-V569 HydrophobicContact CD1-CG1 3.73Å; L472-M590 HydrophobicContact CD1-CB 4.22Å
473	H	91.3	Very high	81.5	Confident	24 Å²	24	49.2 Å²	49.2	11%	0.111	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.1	169.8	-56.1	-91	0	0	0	107.6	E520 F521 E522 W574 M590 K591 T593	H473-E520 IonicContact ND1-OE1 3.86Å; H473-F521 CarbonylContact C-O 3.56Å; H473-F521 VanDerWaalsContact CA-O 3.29Å; H473-F521 WeakPolarHBondContact CA-O 3.18Å; H473-E522 IonicContact CE1-OE2 2.65Å; H473-E522 PolarHBondContact CE1-OE2 3.05Å; H473-W574 HydrophobicContact CB-CH2 3.62Å; H473-W574 HydrophobicContact CB-CZ2 4.47Å; H473-W574 HydrophobicContact CB-CZ3 4.02Å; H473-M590 CarbonylContact O-C 3.55Å; H473-M590 WeakPolarHBondContact O-CA 3.43Å; H473-K591 HydrophobicContact CB-CB 4.36Å; H473-K591 PolarHBondContact N-O 3.11Å; H473-K591 PolarHBondContact O-N 2.96Å; H473-T593 PolarHBondContact CD2-OG1 3.42Å; H473-T593 PolarHBondContact NE2-OG1 3.42Å
474	V	94.4	Very high	83.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	-179.2	-173.2	0	0	0	0	109.5	L472 V476 L492 E520 F521 I523 L531 F588 S589 M590	L472-V474 HydrophobicContact CD2-CG2 3.64Å; L472-V474 HydrophobicContact CG-CG2 3.63Å; V474-V476 HydrophobicContact CG1-CG2 4.49Å; V474-L492 HydrophobicContact CB-CD2 3.8Å; V474-L492 HydrophobicContact CG1-CD2 3.62Å; V474-L492 HydrophobicContact CG2-CD2 4.27Å; V474-E520 CarbonylContact O-C 3.57Å; V474-E520 WeakPolarHBondContact O-CA 3.18Å; V474-F521 PolarHBondContact N-O 3.49Å; V474-F521 PolarHBondContact O-N 3.4Å; V474-I523 HydrophobicContact CG2-CD1 4.29Å; V474-L531 HydrophobicContact CG1-CD2 4.3Å; V474-L531 HydrophobicContact CG2-CD2 4.03Å; V474-F588 HydrophobicContact CG1-CD2 4.08Å; V474-S589 CarbonylContact C-O 3.5Å; V474-S589 VanDerWaalsContact CA-O 3.31Å; V474-S589 WeakPolarHBondContact CA-O 3.12Å; V474-M590 HydrophobicContact CG2-CB 4.45Å
475	I	95.1	Very high	85.5	Confident	24 Å²	24	48.3 Å²	48.3	12%	0.123	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.5	169.8	-59.5	168.7	0	0	0	107.8	R477 E519 E520 W574 F588 S589	I475-R477 HydrophobicContact CG2-CG 4.03Å; I475-R477 PolarHBondContact O-N 3.28Å; I475-E519 CarbonylContact C-O 3.6Å; I475-E519 WeakPolarHBondContact CA-O 3.42Å; I475-E520 HydrophobicContact CG1-CB 3.9Å; I475-E520 HydrophobicContact CG1-CG 3.88Å; I475-W574 HydrophobicContact CB-CZ3 4.48Å; I475-W574 HydrophobicContact CD1-CD2 4.05Å; I475-W574 HydrophobicContact CD1-CE3 3.93Å; I475-W574 HydrophobicContact CD1-CH2 3.48Å; I475-W574 VanDerWaalsContact CD1-CH2 3.48Å; I475-W574 HydrophobicContact CD1-CZ2 3.63Å; I475-W574 HydrophobicContact CD1-CZ3 3.65Å; I475-W574 HydrophobicContact CG1-CE3 4.32Å; I475-W574 HydrophobicContact CG1-CH2 3.54Å; I475-W574 HydrophobicContact CG1-CZ2 4.19Å; I475-W574 HydrophobicContact CG1-CZ3 3.63Å; I475-F588 CarbonylContact O-C 3.49Å; I475-F588 WeakPolarHBondContact O-CA 3.44Å; I475-F588 VanDerWaalsContact O-CB 3.3Å; I475-F588 WeakPolarHBondContact O-CB 3.37Å; I475-S589 PolarHBondContact N-O 2.92Å; I475-S589 PolarHBondContact O-N 3.29Å
476	V	95.4	Very high	87.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.8	168.8	-174.2	0	0	0	0	107.5	V474 C490 L492 T506 W517 N518 E519 F521 V586	V474-V476 HydrophobicContact CG1-CG2 4.49Å; V476-C490 HydrophobicContact CG1-CB 4.47Å; V476-L492 HydrophobicContact CG2-CD1 3.83Å; V476-L492 HydrophobicContact CG2-CD2 4.09Å; V476-L492 HydrophobicContact CG2-CG 4.35Å; V476-T506 HydrophobicContact CB-CG2 4.03Å; V476-T506 HydrophobicContact CG1-CG2 4.16Å; V476-T506 HydrophobicContact CG2-CG2 4.11Å; V476-W517 HydrophobicContact CG1-CD2 4.35Å; V476-W517 HydrophobicContact CG1-CE3 3.75Å; V476-W517 HydrophobicContact CG1-CZ3 4.24Å; V476-N518 VanDerWaalsContact O-CA 3.28Å; V476-N518 WeakPolarHBondContact O-CA 3.39Å; V476-N518 PolarHBondContact O-N 3.47Å; V476-E519 PolarHBondContact N-O 3.2Å; V476-E519 PolarHBondContact O-N 3.32Å; V476-F521 HydrophobicContact CG2-CE2 4.31Å; V476-V586 HydrophobicContact CG1-CG1 4.42Å
477	R	94.9	Very high	88.6	Confident	78 Å²	78	41.8 Å²	41.8	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-67.6	-173.3	-65.5	-177.8	174.5	-92.1	-1.1	110.8	I475 Q516 W517 N518 E587 S589	I475-R477 HydrophobicContact CG2-CG 4.03Å; I475-R477 PolarHBondContact O-N 3.28Å; R477-Q516 CarbonylContact O-C 3.49Å; R477-Q516 WeakPolarHBondContact O-CA 3.09Å; R477-W517 PolarHBondContact O-N 3.12Å; R477-N518 PolarHBondContact O-N 3.47Å; R477-N518 VanDerWaalsContact O-N 3.1Å; R477-E587 HydrophobicContact CB-CB 4.34Å; R477-E587 HydrophobicContact CB-CG 4.36Å; R477-E587 WeakPolarHBondContact CB-O 3.37Å; R477-E587 WeakPolarHBondContact CD-OE1 3.37Å; R477-E587 PolarHBondContact N-O 3.09Å; R477-S589 PolarHBondContact NE-OG 3.48Å; R477-S589 PolarHBondContact NH2-OG 3.27Å
478	S	95.2	Very high	89.6	Confident	20 Å²	20	41 Å²	41	14%	0.14	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	163.2	-174.1	48.6	0	0	0	0	112.1	P515 E587	S478-P515 CarbonylContact C-O 3.38Å; S478-P515 WeakPolarHBondContact CA-O 3.35Å; S478-P515 VanDerWaalsContact CB-O 3.23Å; S478-P515 WeakPolarHBondContact CB-O 3.17Å; S478-E587 PolarHBondContact N-O 3.2Å; S478-E587 PolarHBondContact O-N 2.94Å
479	A	94.5	Very high	90.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150	167.3	0	0	0	0	0	111.3	F482 E514 P515 W517 I584 K585 V586	A479-F482 HydrophobicContact CB-CE2 3.67Å; A479-F482 HydrophobicContact CB-CZ 4.28Å; A479-E514 CarbonylContact O-C 3.57Å; A479-E514 VanDerWaalsContact O-CA 3.29Å; A479-E514 WeakPolarHBondContact O-CA 3.43Å; A479-P515 HydrophobicContact CB-CG 4.05Å; A479-P515 PolarHBondContact N-O 3.07Å; A479-P515 VanDerWaalsContact O-CD 3.32Å; A479-P515 WeakPolarHBondContact O-CD 3.39Å; A479-W517 HydrophobicContact CB-CH2 3.81Å; A479-W517 HydrophobicContact CB-CZ3 3.59Å; A479-I584 HydrophobicContact CB-CG2 4.46Å; A479-K585 CarbonylContact C-O 3.46Å; A479-K585 WeakPolarHBondContact CA-O 3.48Å; A479-V586 HydrophobicContact CB-CG2 3.94Å
480	T	93.4	Very high	90.9	Very high	56 Å²	56	36.4 Å²	36.4	34%	0.344	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167	179.1	57.9	0	0	0	0	110.2	E514 I584 K585	T480-E514 HydrophobicContact CG2-CG 4.22Å; T480-I584 CarbonylContact O-C 3.44Å; T480-I584 VanDerWaalsContact O-CA 3.26Å; T480-I584 WeakPolarHBondContact O-CA 3.27Å; T480-K585 PolarHBondContact N-O 2.92Å; T480-K585 PolarHBondContact O-N 3.06Å
481	G	89.6	Confident	91.4	Very high	46 Å²	46	36.7 Å²	36.7	47%	0.474	20%	0.195	S	C	.	.			trans	92.6	8.7	175.8	0	0	0	0	0	115.4
482	F	89.4	Confident	91.8	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.083	19%	0.193	C	C	.	.			trans	-71.8	133.6	169.2	-62.2	-90.5	0	0	0	110.1	A479 L488 A513 P515 C535 M557 I584	A479-F482 HydrophobicContact CB-CE2 3.67Å; A479-F482 HydrophobicContact CB-CZ 4.28Å; F482-L488 HydrophobicContact CD1-CD1 3.9Å; F482-L488 HydrophobicContact CD1-CD2 3.99Å; F482-L488 HydrophobicContact CD2-CD1 3.74Å; F482-L488 HydrophobicContact CE1-CD1 3.9Å; F482-L488 HydrophobicContact CE1-CD2 3.66Å; F482-L488 HydrophobicContact CE1-CG 4.42Å; F482-L488 HydrophobicContact CE2-CD1 3.73Å; F482-L488 HydrophobicContact CG-CD1 3.82Å; F482-L488 HydrophobicContact CZ-CD1 3.82Å; F482-L488 HydrophobicContact CZ-CD2 4.15Å; F482-A513 HydrophobicContact CB-CB 4.09Å; F482-A513 VanDerWaalsContact CD2-O 3.28Å; F482-A513 WeakPolarHBondContact CD2-O 3.47Å; F482-P515 HydrophobicContact CE2-CG 4.35Å; F482-C535 HydrophobicContact CZ-CB 4.22Å; F482-M557 HydrophobicContact CD1-CB 4.4Å; F482-M557 HydrophobicContact CE1-CB 3.82Å; F482-M557 HydrophobicContact CE1-CG 4.44Å; F482-I584 HydrophobicContact CD1-CD1 3.84Å; F482-I584 HydrophobicContact CD1-CG1 4.12Å; F482-I584 HydrophobicContact CD2-CG2 4.4Å; F482-I584 HydrophobicContact CE1-CD1 3.52Å; F482-I584 HydrophobicContact CE1-CG1 4.06Å; F482-I584 HydrophobicContact CE1-CG2 4.25Å; F482-I584 HydrophobicContact CE2-CG2 3.75Å; F482-I584 HydrophobicContact CG-CG1 4.41Å; F482-I584 HydrophobicContact CZ-CD1 4.05Å; F482-I584 HydrophobicContact CZ-CG1 4.3Å; F482-I584 HydrophobicContact CZ-CG2 3.65Å
483	K	85.7	Confident	91.8	Very high	209 Å²	209	36.9 Å²	36.9	91%	0.909	20%	0.196	S	C	*	.	S	Bend	trans	-73.1	-31.1	-177.7	-66.1	-176.8	-179.6	178.6	0	113.2
484	E	85.7	Confident	91.7	Very high	160 Å²	160	35.9 Å²	35.9	75%	0.748	19%	0.192	S	C	*	.	S	Bend	trans	-133.2	151.9	-175.9	-66.2	177.3	-172.8	0	0	109
485	S	88	Confident	91.1	Very high	82 Å²	82	36 Å²	36	57%	0.573	19%	0.192	S	C	*	.			trans	-72.1	132.1	174.9	-58.7	0	0	0	0	110.3
486	A	88	Confident	90	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	176.1	-176.1	0	0	0	0	0	111.5	L488 D511 T512 E537	A486-L488 HydrophobicContact CB-CD2 3.93Å; A486-L488 HydrophobicContact CB-CG 4.17Å; A486-L488 PolarHBondContact O-N 3.2Å; A486-D511 PolarHBondContact O-N 2.92Å; A486-T512 PolarHBondContact N-O 3.05Å; A486-T512 PolarHBondContact O-N 3.25Å; A486-E537 HydrophobicContact CB-CG 4.01Å
487	N	90.6	Very high	88.4	Confident	26 Å²	26	37.1 Å²	37.1	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	95.4	175.9	-63.8	-63.3	0	0	0	110.1	V508 F509 R510 D511 E537 K538 F540	N487-V508 HydrophobicContact CB-CG1 4.07Å; N487-F509 CarbonylContact C-O 3.54Å; N487-F509 VanDerWaalsContact CA-O 3.3Å; N487-F509 WeakPolarHBondContact CA-O 3.38Å; N487-R510 WeakPolarHBondContact OD1-CA 3.17Å; N487-R510 VanDerWaalsContact OD1-CB 3.31Å; N487-R510 WeakPolarHBondContact OD1-CB 3.44Å; N487-R510 WeakPolarHBondContact OD1-CG 3.4Å; N487-D511 PolarHBondContact OD1-N 3.35Å; N487-E537 CarbonylContact O-C 3.55Å; N487-E537 WeakPolarHBondContact O-CA 3.28Å; N487-K538 HydrophobicContact CB-CB 4.04Å; N487-K538 PolarHBondContact O-N 2.85Å; N487-F540 HydrophobicContact CB-CE2 3.85Å; N487-F540 WeakPolarHBondContact ND2-CE2 3.23Å
488	L	92.4	Very high	86.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.9	-163.8	-61.4	173.2	0	0	0	113.3	F482 A486 V508 F509 T512 P515 W517 Y536 E537 M557	F482-L488 HydrophobicContact CD1-CD1 3.9Å; F482-L488 HydrophobicContact CD1-CD2 3.99Å; F482-L488 HydrophobicContact CD2-CD1 3.74Å; F482-L488 HydrophobicContact CE1-CD1 3.9Å; F482-L488 HydrophobicContact CE1-CD2 3.66Å; F482-L488 HydrophobicContact CE1-CG 4.42Å; F482-L488 HydrophobicContact CE2-CD1 3.73Å; F482-L488 HydrophobicContact CG-CD1 3.82Å; F482-L488 HydrophobicContact CZ-CD1 3.82Å; F482-L488 HydrophobicContact CZ-CD2 4.15Å; A486-L488 HydrophobicContact CB-CD2 3.93Å; A486-L488 HydrophobicContact CB-CG 4.17Å; A486-L488 PolarHBondContact O-N 3.2Å; L488-V508 WeakPolarHBondContact O-CA 3.46Å; L488-F509 PolarHBondContact N-O 2.78Å; L488-F509 PolarHBondContact O-N 3.35Å; L488-T512 VanDerWaalsContact CD1-O 3.27Å; L488-T512 WeakPolarHBondContact CD1-O 3.21Å; L488-P515 HydrophobicContact CB-CG 4.19Å; L488-P515 HydrophobicContact CD1-CG 3.93Å; L488-W517 HydrophobicContact CB-CZ2 4.32Å; L488-Y536 WeakPolarHBondContact CA-O 3.49Å; L488-E537 HydrophobicContact CD2-CB 4.41Å; L488-M557 HydrophobicContact CD2-CG 4.45Å
489	Y	93.2	Very high	85.5	Confident	1 Å²	1	37 Å²	37	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.6	167.9	73	-88.6	0	0	0	111.2	T491 K505 V508 Y536 K538 D554	Y489-T491 HydrophobicContact CD2-CG2 4.2Å; Y489-T491 HydrophobicContact CE2-CG2 3.65Å; Y489-K505 HydrophobicContact CD2-CD 4.07Å; Y489-K505 VanDerWaalsContact CD2-CE 3.42Å; Y489-K505 HydrophobicContact CD2-CG 3.87Å; Y489-K505 HydrophobicContact CE2-CD 3.96Å; Y489-K505 HydrophobicContact CE2-CG 4.19Å; Y489-V508 HydrophobicContact CD1-CG2 4.04Å; Y489-V508 HydrophobicContact CG-CG2 4.29Å; Y489-Y536 HydrophobicContact CD2-CD2 4.48Å; Y489-Y536 HydrophobicContact CE1-CG 4.21Å; Y489-Y536 AromaticContact CE2-CD2 3.77Å; Y489-Y536 HydrophobicContact CE2-CD2 3.77Å; Y489-Y536 AromaticContact CE2-CG 3.92Å; Y489-Y536 HydrophobicContact CE2-CG 3.92Å; Y489-Y536 AromaticContact CZ-CD2 3.96Å; Y489-Y536 AromaticContact CZ-CG 3.6Å; Y489-Y536 PolarHBondContact N-O 3.01Å; Y489-Y536 PolarHBondContact O-N 3.16Å; Y489-K538 HydrophobicContact CD1-CB 4.19Å; Y489-K538 HydrophobicContact CE1-CB 4.13Å; Y489-D554 HydrophobicContact CE1-CB 4.09Å; Y489-D554 VanDerWaalsContact CE1-OD2 3.28Å; Y489-D554 WeakPolarHBondContact CE1-OD2 3.43Å; Y489-D554 PolarHBondContact OH-OD2 3.13Å
490	C	93.4	Very high	84.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.8	175.5	-66.2	0	0	0	0	111.3	V476 K505 T506 W517 I533 L534	V476-C490 HydrophobicContact CG1-CB 4.47Å; C490-K505 WeakPolarHBondContact O-CA 3.47Å; C490-T506 HydrophobicContact CB-CG2 3.88Å; C490-T506 PolarHBondContact N-OG1 3.23Å; C490-T506 PolarHBondContact O-N 2.99Å; C490-T506 PolarHBondContact O-OG1 3.44Å; C490-W517 WeakPolarHBondContact SG-CH2 3.33Å; C490-I533 HydrophobicContact CB-CG2 4.14Å; C490-L534 CarbonylContact C-O 3.5Å; C490-L534 WeakPolarHBondContact CA-O 3.45Å
491	T	91.8	Very high	84	Confident	7 Å²	7	36 Å²	36	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	146.9	161.5	66.6	0	0	0	0	109.9	Y489 A504 K505 I533 L534 Y536	Y489-T491 HydrophobicContact CD2-CG2 4.2Å; Y489-T491 HydrophobicContact CE2-CG2 3.65Å; T491-A504 WeakPolarHBondContact CA-O 3.22Å; T491-K505 HydrophobicContact CG2-CG 4.39Å; T491-I533 WeakPolarHBondContact O-CA 3.46Å; T491-L534 PolarHBondContact N-O 3.42Å; T491-L534 PolarHBondContact O-N 3.31Å; T491-Y536 HydrophobicContact CG2-CD2 4.08Å; T491-Y536 HydrophobicContact CG2-CE2 3.84Å; T491-Y536 WeakPolarHBondContact OG1-CE2 3.39Å
492	L	93.8	Very high	83.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.8	175.2	-66.3	71.6	0	0	0	108.1	V474 V476 K503 A504 F521 I523 L531 R532	V474-L492 HydrophobicContact CB-CD2 3.8Å; V474-L492 HydrophobicContact CG1-CD2 3.62Å; V474-L492 HydrophobicContact CG2-CD2 4.27Å; V476-L492 HydrophobicContact CG2-CD1 3.83Å; V476-L492 HydrophobicContact CG2-CD2 4.09Å; V476-L492 HydrophobicContact CG2-CG 4.35Å; L492-K503 PolarHBondContact O-N 3.49Å; L492-A504 HydrophobicContact CB-CB 4.21Å; L492-A504 HydrophobicContact CD1-CB 4.28Å; L492-A504 PolarHBondContact N-O 2.94Å; L492-A504 PolarHBondContact O-N 3.07Å; L492-F521 HydrophobicContact CD1-CD2 4.49Å; L492-F521 HydrophobicContact CD2-CD2 4.28Å; L492-I523 HydrophobicContact CB-CD1 3.94Å; L492-I523 HydrophobicContact CD2-CD1 3.74Å; L492-L531 HydrophobicContact CB-CD1 4.16Å; L492-L531 HydrophobicContact CD2-CD1 4.49Å; L492-R532 WeakPolarHBondContact CA-O 3.4Å
493	E	91.2	Very high	83.7	Confident	15 Å²	15	36.6 Å²	36.6	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.5	176.5	-45.6	-177.2	146	0	0	109.9	F500 V501 L531 R532 L534	E493-F500 HydrophobicContact CB-CB 4.28Å; E493-F500 HydrophobicContact CB-CD1 4.22Å; E493-V501 VanDerWaalsContact CA-O 3.25Å; E493-V501 WeakPolarHBondContact CA-O 3.17Å; E493-L531 CarbonylContact O-C 3.52Å; E493-R532 HydrophobicContact CB-CB 4.19Å; E493-R532 PolarHBondContact N-O 2.84Å; E493-R532 PolarHBondContact O-N 3.15Å; E493-L534 HydrophobicContact CG-CD1 4.36Å
494	V	89.5	Confident	84	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.1	172.6	-59	0	0	0	0	108.9	F500 V501 K503 I523 L525 Y530 L531	V494-F500 WeakPolarHBondContact O-CA 3.38Å; V494-V501 PolarHBondContact N-O 3.32Å; V494-V501 VanDerWaalsContact N-O 3.11Å; V494-V501 PolarHBondContact O-N 3.16Å; V494-K503 HydrophobicContact CG2-CD 4.31Å; V494-K503 HydrophobicContact CG2-CG 3.62Å; V494-I523 HydrophobicContact CG1-CG2 3.9Å; V494-I523 HydrophobicContact CG2-CG2 4.16Å; V494-L525 HydrophobicContact CB-CD2 4.11Å; V494-L525 HydrophobicContact CG1-CD2 3.81Å; V494-L525 HydrophobicContact CG2-CD2 4.23Å; V494-Y530 WeakPolarHBondContact CA-O 3.02Å; V494-L531 HydrophobicContact CG1-CD1 3.93Å
495	D	82.5	Confident	84.3	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	150.4	176.5	69.6	-49.4	0	0	0	111.9	Y499 F500 S528 Q529 Y530	D495-Y499 CarbonylContact C-O 3.55Å; D495-Y499 WeakPolarHBondContact CA-O 3.24Å; D495-F500 HydrophobicContact CB-CD1 4.07Å; D495-F500 HydrophobicContact CB-CD2 4.14Å; D495-F500 HydrophobicContact CB-CE1 3.81Å; D495-F500 HydrophobicContact CB-CE2 3.87Å; D495-F500 HydrophobicContact CB-CG 4.25Å; D495-F500 HydrophobicContact CB-CZ 3.73Å; D495-S528 VanDerWaalsContact O-CA 3.27Å; D495-S528 WeakPolarHBondContact O-CA 3.2Å; D495-S528 WeakPolarHBondContact O-CB 3.17Å; D495-S528 PolarHBondContact O-OG 3.22Å; D495-S528 WeakPolarHBondContact OD1-CA 3.45Å; D495-Q529 PolarHBondContact OD1-N 3.25Å; D495-Q529 PolarHBondContact OD2-N 3.13Å; D495-Y530 PolarHBondContact N-O 2.75Å; D495-Y530 PolarHBondContact OD1-N 3.32Å; D495-Y530 VanDerWaalsContact OD1-O 3.13Å
496	S	71.1	Confident	84.5	Confident	7 Å²	7	19.2 Å²	19.2	5%	0.049	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	102.4	165.1	172.2	0	0	0	0	106.1	Y499	S496-Y499 PolarHBondContact N-O 2.71Å; S496-Y499 PolarHBondContact O-N 2.95Å
497	F	62	Low	84.6	Confident	40 Å²	40	25.1 Å²	25.1	18%	0.175	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	49.1	-172.2	-55	-89.8	0	0	0	112.5	T457 Y499	T457-F497 HydrophobicContact CG2-CB 4.48Å; F497-Y499 PolarHBondContact O-N 3.49Å; F497-Y499 VanDerWaalsContact O-N 3.14Å
498	G	60.8	Low	84.6	Confident	47 Å²	47	25.7 Å²	25.7	49%	0.485	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-8.7	179.4	0	0	0	0	0	115.4
499	Y	68.8	Low	84.4	Confident	48 Å²	48	28.4 Å²	28.4	19%	0.188	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116	173.9	-176.3	-100.5	0	0	0	110.8	D495 S496 F497 V501	D495-Y499 CarbonylContact C-O 3.55Å; D495-Y499 WeakPolarHBondContact CA-O 3.24Å; S496-Y499 PolarHBondContact N-O 2.71Å; S496-Y499 PolarHBondContact O-N 2.95Å; F497-Y499 PolarHBondContact O-N 3.49Å; F497-Y499 VanDerWaalsContact O-N 3.14Å; Y499-V501 HydrophobicContact CD1-CG2 3.57Å; Y499-V501 HydrophobicContact CE1-CG2 3.56Å
500	F	77.8	Confident	84.3	Confident	25 Å²	25	36.7 Å²	36.7	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.6	-179.3	-74.6	-95.5	0	0	0	111.5	E493 V494 D495 Y530 R532	E493-F500 HydrophobicContact CB-CB 4.28Å; E493-F500 HydrophobicContact CB-CD1 4.22Å; V494-F500 WeakPolarHBondContact O-CA 3.38Å; D495-F500 HydrophobicContact CB-CD1 4.07Å; D495-F500 HydrophobicContact CB-CD2 4.14Å; D495-F500 HydrophobicContact CB-CE1 3.81Å; D495-F500 HydrophobicContact CB-CE2 3.87Å; D495-F500 HydrophobicContact CB-CG 4.25Å; D495-F500 HydrophobicContact CB-CZ 3.73Å; F500-Y530 HydrophobicContact CZ-CG 4.46Å; F500-R532 HydrophobicContact CD1-CB 4.38Å; F500-R532 VanDerWaalsContact CD1-CD 3.49Å; F500-R532 HydrophobicContact CD1-CG 3.88Å; F500-R532 HydrophobicContact CE1-CB 4.39Å; F500-R532 VanDerWaalsContact CE1-CD 3.48Å; F500-R532 HydrophobicContact CE1-CG 3.56Å; F500-R532 HydrophobicContact CZ-CG 4.24Å; F500-R532 VanDerWaalsContact CZ-NE 3.31Å
501	V	78.1	Confident	84	Confident	12 Å²	12	42.5 Å²	42.5	7%	0.073	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.1	177.3	-176.4	0	0	0	0	108.9	E493 V494 Y499 K503	E493-V501 VanDerWaalsContact CA-O 3.25Å; E493-V501 WeakPolarHBondContact CA-O 3.17Å; V494-V501 PolarHBondContact N-O 3.32Å; V494-V501 VanDerWaalsContact N-O 3.11Å; V494-V501 PolarHBondContact O-N 3.16Å; Y499-V501 HydrophobicContact CD1-CG2 3.57Å; Y499-V501 HydrophobicContact CE1-CG2 3.56Å; V501-K503 HydrophobicContact CG1-CD 4.48Å; V501-K503 PolarHBondContact O-N 3.38Å
502	S	84.5	Confident	84	Confident	40 Å²	40	43.6 Å²	43.6	28%	0.28	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.1	170.5	-171.5	0	0	0	0	110.6
503	K	89.3	Confident	83.8	Confident	36 Å²	36	44.8 Å²	44.8	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-25.2	-177.8	-63.2	-71	-169.9	167.6	0	113	L492 V494 V501 I523 S651	L492-K503 PolarHBondContact O-N 3.49Å; V494-K503 HydrophobicContact CG2-CD 4.31Å; V494-K503 HydrophobicContact CG2-CG 3.62Å; V501-K503 HydrophobicContact CG1-CD 4.48Å; V501-K503 PolarHBondContact O-N 3.38Å; K503-I523 HydrophobicContact CB-CB 4.48Å; K503-I523 HydrophobicContact CB-CD1 4.34Å; K503-I523 HydrophobicContact CB-CG1 4.17Å; K503-I523 HydrophobicContact CB-CG2 3.62Å; K503-I523 HydrophobicContact CD-CG2 4.47Å; K503-I523 HydrophobicContact CG-CG2 3.69Å; K503-S651 PolarHBondContact O-N 3.33Å
504	A	91.6	Very high	83.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.8	-179.9	0	0	0	0	0	112.1	T491 L492 F521 I523	T491-A504 WeakPolarHBondContact CA-O 3.22Å; L492-A504 HydrophobicContact CB-CB 4.21Å; L492-A504 HydrophobicContact CD1-CB 4.28Å; L492-A504 PolarHBondContact N-O 2.94Å; L492-A504 PolarHBondContact O-N 3.07Å; A504-F521 HydrophobicContact CB-CB 3.96Å; A504-F521 HydrophobicContact CB-CD1 3.56Å; A504-F521 HydrophobicContact CB-CD2 4.29Å; A504-F521 HydrophobicContact CB-CE1 4.12Å; A504-F521 HydrophobicContact CB-CG 3.65Å; A504-I523 HydrophobicContact CB-CD1 4.26Å; A504-I523 HydrophobicContact CB-CG1 4.45Å
505	K	91.5	Very high	84	Confident	82 Å²	82	50 Å²	50	36%	0.357	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	132.2	177.3	177.5	170.2	176	161	0	109.3	Y489 C490 T491	Y489-K505 HydrophobicContact CD2-CD 4.07Å; Y489-K505 VanDerWaalsContact CD2-CE 3.42Å; Y489-K505 HydrophobicContact CD2-CG 3.87Å; Y489-K505 HydrophobicContact CE2-CD 3.96Å; Y489-K505 HydrophobicContact CE2-CG 4.19Å; C490-K505 WeakPolarHBondContact O-CA 3.47Å; T491-K505 HydrophobicContact CG2-CG 4.39Å
506	T	93.1	Very high	84.6	Confident	4 Å²	4	55.6 Å²	55.6	3%	0.025	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-76.8	162.8	174.4	70.2	0	0	0	0	111.2	V476 C490 W517 E519 F521	V476-T506 HydrophobicContact CB-CG2 4.03Å; V476-T506 HydrophobicContact CG1-CG2 4.16Å; V476-T506 HydrophobicContact CG2-CG2 4.11Å; C490-T506 HydrophobicContact CB-CG2 3.88Å; C490-T506 PolarHBondContact N-OG1 3.23Å; C490-T506 PolarHBondContact O-N 2.99Å; C490-T506 PolarHBondContact O-OG1 3.44Å; T506-W517 VanDerWaalsContact CB-CD1 3.46Å; T506-W517 HydrophobicContact CG2-CB 4.46Å; T506-W517 HydrophobicContact CG2-CG 4.14Å; T506-W517 PolarHBondContact OG1-NE1 3.34Å; T506-W517 VanDerWaalsContact OG1-NE1 3.16Å; T506-E519 WeakPolarHBondContact CA-OE2 3.31Å; T506-E519 WeakPolarHBondContact CB-OE2 3.38Å; T506-F521 HydrophobicContact CG2-CE2 3.92Å; T506-F521 HydrophobicContact CG2-CZ 4.08Å
507	R	89.8	Confident	85.6	Confident	131 Å²	131	55.4 Å²	55.4	49%	0.494	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-60.7	158.4	166.5	68.8	-174.6	165.8	170.6	-3.3	111.6	F509 W517 E519	R507-F509 HydrophobicContact CG-CD2 4.39Å; R507-F509 HydrophobicContact CG-CE2 4.39Å; R507-W517 PolarHBondContact NH2-O 2.86Å; R507-W517 VanDerWaalsContact O-CD1 3.29Å; R507-W517 PolarHBondContact O-NE1 3.14Å; R507-E519 VanDerWaalsContact CD-OE1 3.26Å; R507-E519 WeakPolarHBondContact CD-OE1 3.47Å; R507-E519 VanDerWaalsContact CG-OE1 3.25Å; R507-E519 WeakPolarHBondContact CG-OE1 3.4Å; R507-E519 PolarHBondContact N-OE2 3.42Å; R507-E519 IonicContact NE-OE1 3.24Å
508	V	90.2	Very high	87.1	Confident	38 Å²	38	57.7 Å²	57.7	23%	0.23	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-86.5	116	175.6	-175.4	0	0	0	0	109.1	N487 L488 Y489 K538	N487-V508 HydrophobicContact CB-CG1 4.07Å; L488-V508 WeakPolarHBondContact O-CA 3.46Å; Y489-V508 HydrophobicContact CD1-CG2 4.04Å; Y489-V508 HydrophobicContact CG-CG2 4.29Å; V508-K538 HydrophobicContact CB-CD 4.44Å; V508-K538 HydrophobicContact CG1-CB 4.16Å; V508-K538 HydrophobicContact CG1-CD 4.1Å; V508-K538 HydrophobicContact CG2-CD 3.63Å
509	F	89.9	Confident	88.7	Confident	58 Å²	58	56.3 Å²	56.3	25%	0.254	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.5	167.4	-101.7	-85.5	0	0	0	109.4	N487 L488 R507 T512 P515 Q516 W517	N487-F509 CarbonylContact C-O 3.54Å; N487-F509 VanDerWaalsContact CA-O 3.3Å; N487-F509 WeakPolarHBondContact CA-O 3.38Å; L488-F509 PolarHBondContact N-O 2.78Å; L488-F509 PolarHBondContact O-N 3.35Å; R507-F509 HydrophobicContact CG-CD2 4.39Å; R507-F509 HydrophobicContact CG-CE2 4.39Å; F509-T512 HydrophobicContact CB-CG2 3.75Å; F509-T512 HydrophobicContact CD1-CG2 4.45Å; F509-T512 HydrophobicContact CG-CG2 4.47Å; F509-P515 HydrophobicContact CB-CB 3.85Å; F509-P515 HydrophobicContact CD2-CB 4.29Å; F509-P515 HydrophobicContact CG-CB 4.09Å; F509-Q516 WeakPolarHBondContact CE2-O 3.47Å; F509-Q516 WeakPolarHBondContact CZ-O 3.35Å; F509-W517 AromaticContact CD2-CD1 3.65Å; F509-W517 HydrophobicContact CD2-CG 4.24Å; F509-W517 AromaticContact CD2-NE1 3.72Å; F509-W517 HydrophobicContact CE2-CG 4.41Å
510	R	90.2	Very high	89.9	Confident	175 Å²	175	56.2 Å²	56.2	66%	0.66	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.9	-176.5	-60.1	-174.2	-171.1	179.1	2.2	111.6	N487 T512	N487-R510 WeakPolarHBondContact OD1-CA 3.17Å; N487-R510 VanDerWaalsContact OD1-CB 3.31Å; N487-R510 WeakPolarHBondContact OD1-CB 3.44Å; N487-R510 WeakPolarHBondContact OD1-CG 3.4Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 2.98Å
511	D	86.9	Confident	90.7	Very high	122 Å²	122	55.1 Å²	55.1	65%	0.652	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	45.4	49.5	169.3	-53.2	-44.9	0	0	0	114.1	A486 N487	A486-D511 PolarHBondContact O-N 2.92Å; N487-D511 PolarHBondContact OD1-N 3.35Å
512	T	91	Very high	91.3	Very high	30 Å²	30	56.9 Å²	56.9	18%	0.184	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.9	-179.2	-174.4	0	0	0	0	112.1	A486 L488 F509 R510 E514 P515	A486-T512 PolarHBondContact N-O 3.05Å; A486-T512 PolarHBondContact O-N 3.25Å; L488-T512 VanDerWaalsContact CD1-O 3.27Å; L488-T512 WeakPolarHBondContact CD1-O 3.21Å; F509-T512 HydrophobicContact CB-CG2 3.75Å; F509-T512 HydrophobicContact CD1-CG2 4.45Å; F509-T512 HydrophobicContact CG-CG2 4.47Å; R510-T512 VanDerWaalsContact C-N 3.31Å; R510-T512 PolarHBondContact O-N 2.98Å; T512-E514 PolarHBondContact OG1-N 3.45Å; T512-P515 HydrophobicContact CG2-CB 3.94Å
513	A	90.1	Very high	91.6	Very high	24 Å²	24	55 Å²	55	20%	0.198	26%	0.257	C	S	.	.	S	Bend	trans	-106.9	-4.3	169	0	0	0	0	0	112.3	F482	F482-A513 HydrophobicContact CB-CB 4.09Å; F482-A513 VanDerWaalsContact CD2-O 3.28Å; F482-A513 WeakPolarHBondContact CD2-O 3.47Å
514	E	91.9	Very high	91.4	Very high	127 Å²	127	57 Å²	57	59%	0.593	27%	0.267	S	S	*	.	S	Bend	trans	-138	66.1	-178	-62.9	-173.4	164.9	0	0	110.6	A479 T480 T512	A479-E514 CarbonylContact O-C 3.57Å; A479-E514 VanDerWaalsContact O-CA 3.29Å; A479-E514 WeakPolarHBondContact O-CA 3.43Å; T480-E514 HydrophobicContact CG2-CG 4.22Å; T512-E514 PolarHBondContact OG1-N 3.45Å
515	P	93.5	Very high	91	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.			trans	-64.2	139.1	-179.3	27.7	-36.6	0	0	0	111.6	S478 A479 F482 L488 F509 T512 W517	S478-P515 CarbonylContact C-O 3.38Å; S478-P515 WeakPolarHBondContact CA-O 3.35Å; S478-P515 VanDerWaalsContact CB-O 3.23Å; S478-P515 WeakPolarHBondContact CB-O 3.17Å; A479-P515 HydrophobicContact CB-CG 4.05Å; A479-P515 PolarHBondContact N-O 3.07Å; A479-P515 VanDerWaalsContact O-CD 3.32Å; A479-P515 WeakPolarHBondContact O-CD 3.39Å; F482-P515 HydrophobicContact CE2-CG 4.35Å; L488-P515 HydrophobicContact CB-CG 4.19Å; L488-P515 HydrophobicContact CD1-CG 3.93Å; F509-P515 HydrophobicContact CB-CB 3.85Å; F509-P515 HydrophobicContact CD2-CB 4.29Å; F509-P515 HydrophobicContact CG-CB 4.09Å; T512-P515 HydrophobicContact CG2-CB 3.94Å; P515-W517 HydrophobicContact CB-CD2 4.2Å; P515-W517 HydrophobicContact CB-CE3 4.27Å; P515-W517 HydrophobicContact CB-CH2 3.65Å; P515-W517 HydrophobicContact CB-CZ2 3.51Å; P515-W517 HydrophobicContact CB-CZ3 4.02Å; P515-W517 HydrophobicContact CG-CE3 4.37Å; P515-W517 HydrophobicContact CG-CH2 3.16Å; P515-W517 HydrophobicContact CG-CZ2 3.5Å; P515-W517 VanDerWaalsContact CG-CZ2 3.5Å; P515-W517 HydrophobicContact CG-CZ3 3.65Å
516	Q	93.9	Very high	90.3	Very high	121 Å²	121	56 Å²	56	57%	0.565	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	87.8	175.7	-64.8	-168.4	-22.7	0	0	110.1	R477 F509	R477-Q516 CarbonylContact O-C 3.49Å; R477-Q516 WeakPolarHBondContact O-CA 3.09Å; F509-Q516 WeakPolarHBondContact CE2-O 3.47Å; F509-Q516 WeakPolarHBondContact CZ-O 3.35Å
517	W	93.9	Very high	89.4	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-55.5	-178.2	-62.4	-82.6	0	0	0	112	V476 R477 A479 L488 C490 T506 R507 F509 P515 E519	V476-W517 HydrophobicContact CG1-CD2 4.35Å; V476-W517 HydrophobicContact CG1-CE3 3.75Å; V476-W517 HydrophobicContact CG1-CZ3 4.24Å; R477-W517 PolarHBondContact O-N 3.12Å; A479-W517 HydrophobicContact CB-CH2 3.81Å; A479-W517 HydrophobicContact CB-CZ3 3.59Å; L488-W517 HydrophobicContact CB-CZ2 4.32Å; C490-W517 WeakPolarHBondContact SG-CH2 3.33Å; T506-W517 VanDerWaalsContact CB-CD1 3.46Å; T506-W517 HydrophobicContact CG2-CB 4.46Å; T506-W517 HydrophobicContact CG2-CG 4.14Å; T506-W517 PolarHBondContact OG1-NE1 3.34Å; T506-W517 VanDerWaalsContact OG1-NE1 3.16Å; R507-W517 PolarHBondContact NH2-O 2.86Å; R507-W517 VanDerWaalsContact O-CD1 3.29Å; R507-W517 PolarHBondContact O-NE1 3.14Å; F509-W517 AromaticContact CD2-CD1 3.65Å; F509-W517 HydrophobicContact CD2-CG 4.24Å; F509-W517 AromaticContact CD2-NE1 3.72Å; F509-W517 HydrophobicContact CE2-CG 4.41Å; P515-W517 HydrophobicContact CB-CD2 4.2Å; P515-W517 HydrophobicContact CB-CE3 4.27Å; P515-W517 HydrophobicContact CB-CH2 3.65Å; P515-W517 HydrophobicContact CB-CZ2 3.51Å; P515-W517 HydrophobicContact CB-CZ3 4.02Å; P515-W517 HydrophobicContact CG-CE3 4.37Å; P515-W517 HydrophobicContact CG-CH2 3.16Å; P515-W517 HydrophobicContact CG-CZ2 3.5Å; P515-W517 VanDerWaalsContact CG-CZ2 3.5Å; P515-W517 HydrophobicContact CG-CZ3 3.65Å; W517-E519 HydrophobicContact CB-CB 4.44Å; W517-E519 HydrophobicContact CB-CG 4.27Å; W517-E519 PolarHBondContact O-N 3.08Å
518	N	93.3	Very high	89.1	Confident	89 Å²	89	50.2 Å²	50.2	48%	0.476	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.4	39.7	-169.8	-60.6	-62.4	0	0	0	112.6	V476 R477	V476-N518 VanDerWaalsContact O-CA 3.28Å; V476-N518 WeakPolarHBondContact O-CA 3.39Å; V476-N518 PolarHBondContact O-N 3.47Å; R477-N518 PolarHBondContact O-N 3.47Å; R477-N518 VanDerWaalsContact O-N 3.1Å
519	E	93.8	Very high	88.8	Confident	17 Å²	17	50.2 Å²	50.2	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	-178.1	-70.9	179.9	145.9	0	0	110.2	I475 V476 T506 R507 W517 F521 V653	I475-E519 CarbonylContact C-O 3.6Å; I475-E519 WeakPolarHBondContact CA-O 3.42Å; V476-E519 PolarHBondContact N-O 3.2Å; V476-E519 PolarHBondContact O-N 3.32Å; T506-E519 WeakPolarHBondContact CA-OE2 3.31Å; T506-E519 WeakPolarHBondContact CB-OE2 3.38Å; R507-E519 VanDerWaalsContact CD-OE1 3.26Å; R507-E519 WeakPolarHBondContact CD-OE1 3.47Å; R507-E519 VanDerWaalsContact CG-OE1 3.25Å; R507-E519 WeakPolarHBondContact CG-OE1 3.4Å; R507-E519 PolarHBondContact N-OE2 3.42Å; R507-E519 IonicContact NE-OE1 3.24Å; W517-E519 HydrophobicContact CB-CB 4.44Å; W517-E519 HydrophobicContact CB-CG 4.27Å; W517-E519 PolarHBondContact O-N 3.08Å; E519-F521 HydrophobicContact CB-CE2 3.71Å; E519-F521 HydrophobicContact CB-CZ 3.75Å; E519-V653 HydrophobicContact CB-CG1 4.06Å; E519-V653 HydrophobicContact CB-CG2 4.25Å; E519-V653 HydrophobicContact CG-CG1 4.13Å; E519-V653 HydrophobicContact CG-CG2 4.11Å
520	E	94.2	Very high	88.7	Confident	47 Å²	47	50.2 Å²	50.2	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.8	175.6	-173.8	-178.5	161.3	0	0	110.4	H473 V474 I475 W574 V653 A654 T655	H473-E520 IonicContact ND1-OE1 3.86Å; V474-E520 CarbonylContact O-C 3.57Å; V474-E520 WeakPolarHBondContact O-CA 3.18Å; I475-E520 HydrophobicContact CG1-CB 3.9Å; I475-E520 HydrophobicContact CG1-CG 3.88Å; E520-W574 HydrophobicContact CG-CH2 4.12Å; E520-V653 CarbonylContact O-C 3.59Å; E520-V653 WeakPolarHBondContact O-CA 3.42Å; E520-A654 HydrophobicContact CB-CB 4.01Å; E520-A654 HydrophobicContact CG-CB 3.84Å; E520-A654 WeakPolarHBondContact O-CB 3.48Å; E520-A654 PolarHBondContact O-N 3.02Å; E520-T655 HydrophobicContact CB-CG2 4.39Å
521	F	94.1	Very high	88.8	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.8	174.8	-58	-81.1	0	0	0	110.2	H473 V474 V476 L492 A504 T506 E519 I523 V653	H473-F521 CarbonylContact C-O 3.56Å; H473-F521 VanDerWaalsContact CA-O 3.29Å; H473-F521 WeakPolarHBondContact CA-O 3.18Å; V474-F521 PolarHBondContact N-O 3.49Å; V474-F521 PolarHBondContact O-N 3.4Å; V476-F521 HydrophobicContact CG2-CE2 4.31Å; L492-F521 HydrophobicContact CD1-CD2 4.49Å; L492-F521 HydrophobicContact CD2-CD2 4.28Å; A504-F521 HydrophobicContact CB-CB 3.96Å; A504-F521 HydrophobicContact CB-CD1 3.56Å; A504-F521 HydrophobicContact CB-CD2 4.29Å; A504-F521 HydrophobicContact CB-CE1 4.12Å; A504-F521 HydrophobicContact CB-CG 3.65Å; T506-F521 HydrophobicContact CG2-CE2 3.92Å; T506-F521 HydrophobicContact CG2-CZ 4.08Å; E519-F521 HydrophobicContact CB-CE2 3.71Å; E519-F521 HydrophobicContact CB-CZ 3.75Å; F521-I523 HydrophobicContact CB-CG1 4.32Å; F521-V653 HydrophobicContact CE1-CG2 3.93Å; F521-V653 HydrophobicContact CZ-CG2 4.19Å
522	E	90.6	Very high	89	Confident	49 Å²	49	37.7 Å²	37.7	23%	0.229	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.2	167.7	-176.3	-178.1	87.5	0	0	108	F471 H473 S651 R692	F471-E522 HydrophobicContact CB-CG 4.1Å; F471-E522 HydrophobicContact CD1-CG 3.79Å; F471-E522 HydrophobicContact CG-CG 4.29Å; H473-E522 IonicContact CE1-OE2 2.65Å; H473-E522 PolarHBondContact CE1-OE2 3.05Å; E522-S651 WeakPolarHBondContact O-CB 3.36Å; E522-S651 PolarHBondContact O-OG 3.32Å; E522-R692 IonicContact OE1-CZ 3.99Å; E522-R692 VanDerWaalsContact OE1-CZ 3.24Å; E522-R692 IonicContact OE1-NH1 2.55Å; E522-R692 PolarHBondContact OE1-NH1 2.92Å; E522-R692 IonicContact OE1-NH2 2.63Å; E522-R692 PolarHBondContact OE1-NH2 3.42Å; E522-R692 IonicContact OE2-NH2 2.78Å
523	I	90.4	Very high	89.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	-175.7	-61.9	173.7	0	0	0	109.2	F471 L472 V474 L492 V494 K503 A504 F521 L525	F471-I523 CarbonylContact C-O 3.59Å; F471-I523 WeakPolarHBondContact CA-O 3.47Å; L472-I523 HydrophobicContact CB-CB 4.49Å; L472-I523 PolarHBondContact N-O 3.46Å; L472-I523 PolarHBondContact O-N 3.23Å; V474-I523 HydrophobicContact CG2-CD1 4.29Å; L492-I523 HydrophobicContact CB-CD1 3.94Å; L492-I523 HydrophobicContact CD2-CD1 3.74Å; V494-I523 HydrophobicContact CG1-CG2 3.9Å; V494-I523 HydrophobicContact CG2-CG2 4.16Å; K503-I523 HydrophobicContact CB-CB 4.48Å; K503-I523 HydrophobicContact CB-CD1 4.34Å; K503-I523 HydrophobicContact CB-CG1 4.17Å; K503-I523 HydrophobicContact CB-CG2 3.62Å; K503-I523 HydrophobicContact CD-CG2 4.47Å; K503-I523 HydrophobicContact CG-CG2 3.69Å; A504-I523 HydrophobicContact CB-CD1 4.26Å; A504-I523 HydrophobicContact CB-CG1 4.45Å; F521-I523 HydrophobicContact CB-CG1 4.32Å; I523-L525 HydrophobicContact CG2-CD2 4.2Å
524	E	84.9	Confident	89.2	Confident	78 Å²	78	35.1 Å²	35.1	36%	0.364	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.3	173.3	-178	160.6	-155.2	0	0	111.1	F471 R595	F471-E524 HydrophobicContact CD1-CB 4.3Å; F471-E524 HydrophobicContact CE1-CB 4.07Å; F471-E524 HydrophobicContact CE1-CG 4.36Å; E524-R595 IonicContact OE1-CZ 3.97Å; E524-R595 IonicContact OE1-NE 3.65Å; E524-R595 IonicContact OE1-NH2 3.44Å; E524-R595 PolarHBondContact OE1-NH2 2.87Å
525	L	84.7	Confident	89.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.4	177.6	-55.4	-171.6	0	0	0	110.9	L468 G470 L472 V494 I523 L564 F592	L468-L525 HydrophobicContact CB-CD1 3.62Å; L468-L525 HydrophobicContact CD1-CD1 4.2Å; L468-L525 VanDerWaalsContact O-CB 3.27Å; L468-L525 WeakPolarHBondContact O-CB 3.27Å; G470-L525 PolarHBondContact N-O 2.8Å; G470-L525 PolarHBondContact O-N 2.76Å; L472-L525 HydrophobicContact CB-CD1 3.86Å; L472-L525 HydrophobicContact CB-CD2 3.94Å; L472-L525 HydrophobicContact CB-CG 3.88Å; L472-L525 HydrophobicContact CD2-CD2 4.33Å; V494-L525 HydrophobicContact CB-CD2 4.11Å; V494-L525 HydrophobicContact CG1-CD2 3.81Å; V494-L525 HydrophobicContact CG2-CD2 4.23Å; I523-L525 HydrophobicContact CG2-CD2 4.2Å; L525-L564 HydrophobicContact CD1-CD1 3.91Å; L525-L564 HydrophobicContact CD2-CD1 4.28Å; L525-F592 HydrophobicContact CD1-CD2 4.29Å; L525-F592 HydrophobicContact CD1-CE2 4.3Å
526	E	76.3	Confident	89	Confident	62 Å²	62	29.3 Å²	29.3	29%	0.29	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	61.9	-175	-67	173.2	154.5	0	0	109.7	S528	E526-S528 VanDerWaalsContact C-N 3.32Å; E526-S528 PolarHBondContact N-OG 2.81Å
527	G	74.2	Confident	88.7	Confident	12 Å²	12	26 Å²	26	12%	0.124	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.3	27.3	-172.7	0	0	0	0	0	112.3	L468 Y469	L468-G527 WeakPolarHBondContact O-CA 3.49Å; L468-G527 PolarHBondContact O-N 2.79Å; Y469-G527 VanDerWaalsContact CE1-N 3.28Å
528	S	83.6	Confident	88.3	Confident	1 Å²	1	29 Å²	29	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.4	-179.2	-52.1	0	0	0	0	111.2	L468 D495 E526	L468-S528 PolarHBondContact N-O 3.22Å; L468-S528 PolarHBondContact O-N 3.37Å; D495-S528 VanDerWaalsContact O-CA 3.27Å; D495-S528 WeakPolarHBondContact O-CA 3.2Å; D495-S528 WeakPolarHBondContact O-CB 3.17Å; D495-S528 PolarHBondContact O-OG 3.22Å; D495-S528 WeakPolarHBondContact OD1-CA 3.45Å; E526-S528 VanDerWaalsContact C-N 3.32Å; E526-S528 PolarHBondContact N-OG 2.81Å
529	Q	83.8	Confident	87.3	Confident	39 Å²	39	27.4 Å²	27.4	18%	0.182	13%	0.133	C	C	.	.			trans	-109	-16.8	177.2	-67.4	179.5	-15	0	0	112.6	E464 D495 L564	E464-Q529 PolarHBondContact OE2-NE2 2.91Å; E464-Q529 VanDerWaalsContact OE2-NE2 3.12Å; D495-Q529 PolarHBondContact OD1-N 3.25Å; D495-Q529 PolarHBondContact OD2-N 3.13Å; Q529-L564 PolarHBondContact O-N 3.08Å
530	Y	88	Confident	85.8	Confident	58 Å²	58	31.7 Å²	31.7	23%	0.227	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.2	-172.7	-62.5	-80.7	0	0	0	112.1	V494 D495 F500 Q561 V562 Q563	V494-Y530 WeakPolarHBondContact CA-O 3.02Å; D495-Y530 PolarHBondContact N-O 2.75Å; D495-Y530 PolarHBondContact OD1-N 3.32Å; D495-Y530 VanDerWaalsContact OD1-O 3.13Å; F500-Y530 HydrophobicContact CZ-CG 4.46Å; Y530-Q561 HydrophobicContact CD1-CG 3.93Å; Y530-Q561 HydrophobicContact CG-CG 4.3Å; Y530-V562 WeakPolarHBondContact CA-O 3.37Å; Y530-Q563 HydrophobicContact CD1-CB 3.99Å; Y530-Q563 HydrophobicContact CD1-CG 4.18Å; Y530-Q563 HydrophobicContact CE1-CB 3.79Å; Y530-Q563 HydrophobicContact CE1-CG 3.77Å
531	L	91.1	Very high	83.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.5	165.2	168.6	69.8	0	0	0	108.2	L472 V474 L492 E493 V494 I533 Q561 V562 L564 F588	L472-L531 HydrophobicContact CD2-CB 4.47Å; L472-L531 HydrophobicContact CD2-CD2 4.16Å; V474-L531 HydrophobicContact CG1-CD2 4.3Å; V474-L531 HydrophobicContact CG2-CD2 4.03Å; L492-L531 HydrophobicContact CB-CD1 4.16Å; L492-L531 HydrophobicContact CD2-CD1 4.49Å; E493-L531 CarbonylContact O-C 3.52Å; V494-L531 HydrophobicContact CG1-CD1 3.93Å; L531-I533 HydrophobicContact CD2-CD1 4.47Å; L531-I533 HydrophobicContact CD2-CG1 4.48Å; L531-I533 HydrophobicContact CG-CG1 4.35Å; L531-Q561 CarbonylContact O-C 3.49Å; L531-Q561 WeakPolarHBondContact O-CA 3.36Å; L531-V562 HydrophobicContact CB-CG1 3.77Å; L531-V562 HydrophobicContact CD2-CG1 4.13Å; L531-V562 HydrophobicContact CG-CG1 4.22Å; L531-V562 PolarHBondContact N-O 3.06Å; L531-V562 PolarHBondContact O-N 3.03Å; L531-L564 HydrophobicContact CB-CD1 4.47Å; L531-L564 HydrophobicContact CB-CD2 3.93Å; L531-L564 HydrophobicContact CB-CG 4.32Å; L531-F588 HydrophobicContact CD2-CD2 4.43Å; L531-F588 HydrophobicContact CD2-CE2 4.01Å
532	R	92.2	Very high	81.6	Confident	33 Å²	33	41.7 Å²	41.7	13%	0.125	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.2	169.5	-73.6	178.8	-179.7	167.2	2.4	110.2	L492 E493 F500 G560 Q561	L492-R532 WeakPolarHBondContact CA-O 3.4Å; E493-R532 HydrophobicContact CB-CB 4.19Å; E493-R532 PolarHBondContact N-O 2.84Å; E493-R532 PolarHBondContact O-N 3.15Å; F500-R532 HydrophobicContact CD1-CB 4.38Å; F500-R532 VanDerWaalsContact CD1-CD 3.49Å; F500-R532 HydrophobicContact CD1-CG 3.88Å; F500-R532 HydrophobicContact CE1-CB 4.39Å; F500-R532 VanDerWaalsContact CE1-CD 3.48Å; F500-R532 HydrophobicContact CE1-CG 3.56Å; F500-R532 HydrophobicContact CZ-CG 4.24Å; F500-R532 VanDerWaalsContact CZ-NE 3.31Å; R532-G560 VanDerWaalsContact CA-O 3.3Å; R532-G560 WeakPolarHBondContact CA-O 3.47Å; R532-Q561 HydrophobicContact CG-CB 3.96Å; R532-Q561 HydrophobicContact CG-CG 3.9Å
533	I	93.5	Very high	79.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.2	170.7	-54.1	-174.2	0	0	0	107.6	C490 T491 L531 G560 I579 M581 V586 F588	C490-I533 HydrophobicContact CB-CG2 4.14Å; T491-I533 WeakPolarHBondContact O-CA 3.46Å; L531-I533 HydrophobicContact CD2-CD1 4.47Å; L531-I533 HydrophobicContact CD2-CG1 4.48Å; L531-I533 HydrophobicContact CG-CG1 4.35Å; I533-G560 PolarHBondContact N-O 3.5Å; I533-G560 PolarHBondContact O-N 3.02Å; I533-G560 VanDerWaalsContact O-N 3.1Å; I533-I579 HydrophobicContact CB-CD1 4.37Å; I533-I579 HydrophobicContact CD1-CD1 3.98Å; I533-I579 HydrophobicContact CG1-CD1 4.1Å; I533-M581 HydrophobicContact CB-CE 4.14Å; I533-M581 HydrophobicContact CG2-CE 4.35Å; I533-M581 WeakPolarHBondContact O-CE 3.12Å; I533-V586 HydrophobicContact CG2-CG1 4.25Å; I533-F588 HydrophobicContact CD1-CB 4.18Å; I533-F588 HydrophobicContact CD1-CD1 4.05Å; I533-F588 HydrophobicContact CD1-CD2 3.95Å; I533-F588 HydrophobicContact CD1-CE2 4.34Å; I533-F588 HydrophobicContact CD1-CG 3.78Å
534	L	90.9	Very high	77.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.2	-179.1	-51	-177.5	0	0	0	109.1	Y411 C490 T491 E493 Y536 K559	Y411-L534 HydrophobicContact CD2-CD2 3.7Å; C490-L534 CarbonylContact C-O 3.5Å; C490-L534 WeakPolarHBondContact CA-O 3.45Å; T491-L534 PolarHBondContact N-O 3.42Å; T491-L534 PolarHBondContact O-N 3.31Å; E493-L534 HydrophobicContact CG-CD1 4.36Å; L534-Y536 HydrophobicContact CB-CD2 4.2Å; L534-Y536 HydrophobicContact CB-CE2 3.54Å; L534-Y536 HydrophobicContact CD1-CE2 4.22Å; L534-K559 HydrophobicContact CD2-CB 3.78Å
535	C	91.6	Very high	75.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.9	175.6	-65.6	0	0	0	0	109.9	F482 M557 G558 V586	F482-C535 HydrophobicContact CZ-CB 4.22Å; C535-M557 PolarHBondContact O-N 3.04Å; C535-G558 PolarHBondContact N-O 3.1Å; C535-G558 PolarHBondContact O-N 3.37Å; C535-V586 WeakPolarHBondContact SG-CG2 3.27Å
536	Y	89.7	Confident	73.2	Confident	4 Å²	4	54 Å²	54	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.2	179.9	-72.3	-96.7	0	0	0	111.6	L488 Y489 T491 L534 I552 D554 K555 I556	L488-Y536 WeakPolarHBondContact CA-O 3.49Å; Y489-Y536 HydrophobicContact CD2-CD2 4.48Å; Y489-Y536 HydrophobicContact CE1-CG 4.21Å; Y489-Y536 AromaticContact CE2-CD2 3.77Å; Y489-Y536 HydrophobicContact CE2-CD2 3.77Å; Y489-Y536 AromaticContact CE2-CG 3.92Å; Y489-Y536 HydrophobicContact CE2-CG 3.92Å; Y489-Y536 AromaticContact CZ-CD2 3.96Å; Y489-Y536 AromaticContact CZ-CG 3.6Å; Y489-Y536 PolarHBondContact N-O 3.01Å; Y489-Y536 PolarHBondContact O-N 3.16Å; T491-Y536 HydrophobicContact CG2-CD2 4.08Å; T491-Y536 HydrophobicContact CG2-CE2 3.84Å; T491-Y536 WeakPolarHBondContact OG1-CE2 3.39Å; L534-Y536 HydrophobicContact CB-CD2 4.2Å; L534-Y536 HydrophobicContact CB-CE2 3.54Å; L534-Y536 HydrophobicContact CD1-CE2 4.22Å; Y536-I552 HydrophobicContact CD1-CG2 4.14Å; Y536-I552 HydrophobicContact CE1-CG2 3.97Å; Y536-D554 HydrophobicContact CD1-CB 4.02Å; Y536-K555 CarbonylContact C-O 3.55Å; Y536-K555 WeakPolarHBondContact CA-O 3.22Å; Y536-I556 HydrophobicContact CD1-CG1 3.79Å; Y536-I556 HydrophobicContact CE1-CB 4.49Å; Y536-I556 HydrophobicContact CE1-CD1 4.06Å; Y536-I556 HydrophobicContact CE1-CG1 3.26Å; Y536-I556 HydrophobicContact CE2-CG1 4.38Å
537	E	88.8	Confident	71.5	Confident	52 Å²	52	61.1 Å²	61.1	24%	0.243	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.1	161.6	168.6	176.1	-152.5	0	0	109	A486 N487 L488 D554 K555 M557	A486-E537 HydrophobicContact CB-CG 4.01Å; N487-E537 CarbonylContact O-C 3.55Å; N487-E537 WeakPolarHBondContact O-CA 3.28Å; L488-E537 HydrophobicContact CD2-CB 4.41Å; E537-D554 CarbonylContact O-C 3.36Å; E537-D554 VanDerWaalsContact O-CA 3.27Å; E537-D554 WeakPolarHBondContact O-CA 3.31Å; E537-D554 VanDerWaalsContact O-CB 3.27Å; E537-D554 WeakPolarHBondContact O-CB 3.46Å; E537-K555 HydrophobicContact CB-CB 4.39Å; E537-K555 PolarHBondContact N-O 2.92Å; E537-K555 PolarHBondContact O-N 3.38Å; E537-K555 IonicContact OE2-NZ 3.4Å; E537-M557 HydrophobicContact CB-CG 3.61Å; E537-M557 HydrophobicContact CB-SD 3.95Å
538	K	85.1	Confident	69.9	Low	65 Å²	65	64.3 Å²	64.3	28%	0.283	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-76.4	122.2	-179.8	-172.9	162.2	-172.2	167.8	0	111.6	N487 Y489 V508 F540 D554	N487-K538 HydrophobicContact CB-CB 4.04Å; N487-K538 PolarHBondContact O-N 2.85Å; Y489-K538 HydrophobicContact CD1-CB 4.19Å; Y489-K538 HydrophobicContact CE1-CB 4.13Å; V508-K538 HydrophobicContact CB-CD 4.44Å; V508-K538 HydrophobicContact CG1-CB 4.16Å; V508-K538 HydrophobicContact CG1-CD 4.1Å; V508-K538 HydrophobicContact CG2-CD 3.63Å; K538-F540 HydrophobicContact CD-CE1 4.17Å; K538-F540 HydrophobicContact CD-CZ 3.93Å; K538-F540 HydrophobicContact CG-CE1 4.42Å; K538-F540 HydrophobicContact CG-CE2 4.28Å; K538-F540 HydrophobicContact CG-CZ 4.13Å; K538-D554 WeakPolarHBondContact CA-OD1 3.33Å
539	C	72.7	Confident	67.7	Low	57 Å²	57	70.1 Å²	70.1	39%	0.385	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-91.6	121.1	176.5	-71.2	0	0	0	0	109.8	V553 D554	C539-V553 PolarHBondContact SG-O 3.4Å; C539-D554 PolarHBondContact N-OD1 3.33Å
540	F	62.4	Low	65.8	Low	107 Å²	107	73 Å²	73	47%	0.469	37%	0.365	S	S	.	.			trans	-95.6	-5.6	179.7	-73.5	-75.1	0	0	0	114.4	N487 K538 K542	N487-F540 HydrophobicContact CB-CE2 3.85Å; N487-F540 WeakPolarHBondContact ND2-CE2 3.23Å; K538-F540 HydrophobicContact CD-CE1 4.17Å; K538-F540 HydrophobicContact CD-CZ 3.93Å; K538-F540 HydrophobicContact CG-CE1 4.42Å; K538-F540 HydrophobicContact CG-CE2 4.28Å; K538-F540 HydrophobicContact CG-CZ 4.13Å; F540-K542 PolarHBondContact O-N 2.82Å
541	D	54.3	Low	63.8	Low	82 Å²	82	73.3 Å²	73.3	44%	0.439	37%	0.369	S	S	.	.			trans	-74.1	102.8	-178.2	-166.5	-13.7	0	0	0	110.9	S543 M544	D541-S543 PolarHBondContact O-N 3.25Å; D541-S543 WeakPolarHBondContact OD1-CB 3.47Å; D541-S543 PolarHBondContact OD1-N 3.27Å; D541-S543 PolarHBondContact OD1-OG 2.62Å; D541-S543 PolarHBondContact OD2-OG 2.87Å; D541-M544 HydrophobicContact CB-CB 4.24Å; D541-M544 HydrophobicContact CB-CG 3.73Å; D541-M544 WeakPolarHBondContact O-CB 3.48Å; D541-M544 PolarHBondContact O-N 3.12Å; D541-M544 VanDerWaalsContact O-N 3.07Å
542	K	44.3	Very low	61.8	Low	175 Å²	175	76.9 Å²	76.9	76%	0.761	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-66.1	-15.9	177	-67.2	-174.7	178.3	-177.6	0	113.3	F540 M544 L545	F540-K542 PolarHBondContact O-N 2.82Å; K542-M544 VanDerWaalsContact C-N 3.28Å; K542-L545 HydrophobicContact CB-CD1 3.87Å; K542-L545 HydrophobicContact CG-CD1 4.05Å; K542-L545 WeakPolarHBondContact O-CB 3.46Å; K542-L545 WeakPolarHBondContact O-CD1 3.34Å
543	S	44	Very low	60.1	Low	100 Å²	100	78 Å²	78	70%	0.699	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-78.3	-15.4	173	72.8	0	0	0	0	113	D541 L545	D541-S543 PolarHBondContact O-N 3.25Å; D541-S543 WeakPolarHBondContact OD1-CB 3.47Å; D541-S543 PolarHBondContact OD1-N 3.27Å; D541-S543 PolarHBondContact OD1-OG 2.62Å; D541-S543 PolarHBondContact OD2-OG 2.87Å; S543-L545 VanDerWaalsContact C-N 3.35Å
544	M	45.5	Very low	59.1	Low	83 Å²	83	79.1 Å²	79.1	41%	0.409	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-90.7	3.2	173.4	-59.8	-79.1	173.7	0	0	112.6	L326 D541 K542 N546 V553	L326-M544 HydrophobicContact CD1-SD 3.89Å; L326-M544 HydrophobicContact CD2-SD 4.41Å; D541-M544 HydrophobicContact CB-CB 4.24Å; D541-M544 HydrophobicContact CB-CG 3.73Å; D541-M544 WeakPolarHBondContact O-CB 3.48Å; D541-M544 PolarHBondContact O-N 3.12Å; D541-M544 VanDerWaalsContact O-N 3.07Å; K542-M544 VanDerWaalsContact C-N 3.28Å; M544-N546 PolarHBondContact O-N 3.13Å; M544-V553 HydrophobicContact CB-CG1 4.46Å; M544-V553 WeakPolarHBondContact O-CG1 3.29Å
545	L	44.1	Very low	58.5	Low	102 Å²	102	84.6 Å²	84.6	53%	0.534	43%	0.427	S	S	.	.	S	Bend	trans	-71.9	113.1	169.9	-71.1	163.3	0	0	0	108.1	K542 S543 K547 V553	K542-L545 HydrophobicContact CB-CD1 3.87Å; K542-L545 HydrophobicContact CG-CD1 4.05Å; K542-L545 WeakPolarHBondContact O-CB 3.46Å; K542-L545 WeakPolarHBondContact O-CD1 3.34Å; S543-L545 VanDerWaalsContact C-N 3.35Å; L545-K547 PolarHBondContact O-N 3.45Å; L545-V553 HydrophobicContact CD2-CG2 4.19Å
546	N	41.8	Very low	58.2	Low	102 Å²	102	86.5 Å²	86.5	55%	0.545	44%	0.437	S	S	.	.			trans	-54.1	130.9	161	-96.2	-21.4	0	0	0	107.8	M544 D548	M544-N546 PolarHBondContact O-N 3.13Å; N546-D548 PolarHBondContact O-N 2.67Å; N546-D548 VanDerWaalsContact O-N 3.08Å
547	K	40	Very low	58	Low	211 Å²	211	88.9 Å²	88.9	92%	0.917	45%	0.449	S	S	*	.	S	Bend	trans	-66.4	-5.1	176.7	-72.7	179.4	178.2	173.1	0	113.1	L545	L545-K547 PolarHBondContact O-N 3.45Å
548	D	40.6	Very low	57.9	Low	78 Å²	78	86.5 Å²	86.5	42%	0.417	44%	0.438	S	S	.	.	S	Bend	trans	-95.9	107.3	173.1	-66.7	-19.2	0	0	0	108.9	C332 N546	C332-D548 WeakPolarHBondContact CB-OD2 3.46Å; C332-D548 PolarHBondContact N-OD2 3.42Å; N546-D548 PolarHBondContact O-N 2.67Å; N546-D548 VanDerWaalsContact O-N 3.08Å
549	D	37.7	Very low	58	Low	123 Å²	123	84.6 Å²	84.6	66%	0.658	43%	0.43	S	S	*	.	S	Bend	trans	2	112.9	170.8	-82.5	-17.2	0	0	0	118.9	E551	D549-E551 PolarHBondContact O-N 3.09Å; D549-E551 VanDerWaalsContact O-N 3.16Å
550	N	43.8	Very low	58.7	Low	99 Å²	99	82.3 Å²	82.3	53%	0.529	42%	0.415	S	S	.	.			trans	52.5	41.5	143.6	-79.2	2.2	0	0	0	118.4
551	E	45.6	Very low	60	Low	66 Å²	66	80.7 Å²	80.7	31%	0.308	41%	0.409	S	S	.	.			trans	-76.6	137	153.3	-72.5	-160.9	115.9	0	0	110	P392 R413 D549 V553	P392-E551 WeakPolarHBondContact CD-OE1 2.99Å; P392-E551 WeakPolarHBondContact CG-OE1 2.92Å; R413-E551 IonicContact CZ-OE1 3.79Å; R413-E551 IonicContact NH1-OE1 3.38Å; R413-E551 PolarHBondContact NH1-OE1 3.18Å; R413-E551 IonicContact NH1-OE2 2.71Å; R413-E551 IonicContact NH2-OE1 2.6Å; D549-E551 PolarHBondContact O-N 3.09Å; D549-E551 VanDerWaalsContact O-N 3.16Å; E551-V553 VanDerWaalsContact C-N 3.33Å; E551-V553 WeakPolarHBondContact O-CG2 3.44Å; E551-V553 PolarHBondContact O-N 2.96Å
552	I	50	Low	61.7	Low	74 Å²	74	77.7 Å²	77.7	38%	0.379	39%	0.394	S	S	.	.			trans	-61.7	100.5	166.5	-65.1	175	0	0	0	106.7	Y536 D554	Y536-I552 HydrophobicContact CD1-CG2 4.14Å; Y536-I552 HydrophobicContact CE1-CG2 3.97Å; I552-D554 HydrophobicContact CG2-CB 3.47Å; I552-D554 VanDerWaalsContact CG2-CB 3.47Å; I552-D554 PolarHBondContact O-N 3.43Å
553	V	55.1	Low	63.8	Low	56 Å²	56	74.1 Å²	74.1	34%	0.339	38%	0.38	S	S	.	.			trans	-70.3	-7.1	172.8	-158.3	0	0	0	0	110.9	C539 M544 L545 E551	C539-V553 PolarHBondContact SG-O 3.4Å; M544-V553 HydrophobicContact CB-CG1 4.46Å; M544-V553 WeakPolarHBondContact O-CG1 3.29Å; L545-V553 HydrophobicContact CD2-CG2 4.19Å; E551-V553 VanDerWaalsContact C-N 3.33Å; E551-V553 WeakPolarHBondContact O-CG2 3.44Å; E551-V553 PolarHBondContact O-N 2.96Å
554	D	73.4	Confident	65.8	Low	25 Å²	25	69.6 Å²	69.6	13%	0.134	35%	0.348	C	S	.	.	S	Bend	trans	-69.8	135.2	178.7	-56.6	-26.1	0	0	0	109.9	Y489 Y536 E537 K538 C539 I552	Y489-D554 HydrophobicContact CE1-CB 4.09Å; Y489-D554 VanDerWaalsContact CE1-OD2 3.28Å; Y489-D554 WeakPolarHBondContact CE1-OD2 3.43Å; Y489-D554 PolarHBondContact OH-OD2 3.13Å; Y536-D554 HydrophobicContact CD1-CB 4.02Å; E537-D554 CarbonylContact O-C 3.36Å; E537-D554 VanDerWaalsContact O-CA 3.27Å; E537-D554 WeakPolarHBondContact O-CA 3.31Å; E537-D554 VanDerWaalsContact O-CB 3.27Å; E537-D554 WeakPolarHBondContact O-CB 3.46Å; K538-D554 WeakPolarHBondContact CA-OD1 3.33Å; C539-D554 PolarHBondContact N-OD1 3.33Å; I552-D554 HydrophobicContact CG2-CB 3.47Å; I552-D554 VanDerWaalsContact CG2-CB 3.47Å; I552-D554 PolarHBondContact O-N 3.43Å
555	K	78.9	Confident	67.2	Low	115 Å²	115	67.8 Å²	67.8	50%	0.5	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.9	-172.6	176.6	-177.6	164.9	-156.6	0	109.9	Y536 E537 M557	Y536-K555 CarbonylContact C-O 3.55Å; Y536-K555 WeakPolarHBondContact CA-O 3.22Å; E537-K555 HydrophobicContact CB-CB 4.39Å; E537-K555 PolarHBondContact N-O 2.92Å; E537-K555 PolarHBondContact O-N 3.38Å; E537-K555 IonicContact OE2-NZ 3.4Å; K555-M557 HydrophobicContact CD-SD 3.95Å; K555-M557 HydrophobicContact CG-SD 4.07Å; K555-M557 PolarHBondContact O-N 2.92Å
556	I	84.9	Confident	68.3	Low	41 Å²	41	63.8 Å²	63.8	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	120.8	171	-65	168.3	0	0	0	108.9	D410 A414 Y536 K559	D410-I556 HydrophobicContact CB-CD1 3.6Å; A414-I556 HydrophobicContact CB-CD1 4.31Å; Y536-I556 HydrophobicContact CD1-CG1 3.79Å; Y536-I556 HydrophobicContact CE1-CB 4.49Å; Y536-I556 HydrophobicContact CE1-CD1 4.06Å; Y536-I556 HydrophobicContact CE1-CG1 3.26Å; Y536-I556 HydrophobicContact CE2-CG1 4.38Å; I556-K559 HydrophobicContact CG2-CB 4.5Å
557	M	85.7	Confident	69.6	Low	54 Å²	54	67 Å²	67	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-33.9	177.9	-63.1	-59	-77	0	0	111.9	F482 L488 C535 E537 K555 I584	F482-M557 HydrophobicContact CD1-CB 4.4Å; F482-M557 HydrophobicContact CE1-CB 3.82Å; F482-M557 HydrophobicContact CE1-CG 4.44Å; L488-M557 HydrophobicContact CD2-CG 4.45Å; C535-M557 PolarHBondContact O-N 3.04Å; E537-M557 HydrophobicContact CB-CG 3.61Å; E537-M557 HydrophobicContact CB-SD 3.95Å; K555-M557 HydrophobicContact CD-SD 3.95Å; K555-M557 HydrophobicContact CG-SD 4.07Å; K555-M557 PolarHBondContact O-N 2.92Å; M557-I584 HydrophobicContact CB-CD1 4.1Å; M557-I584 WeakPolarHBondContact O-CD1 3.24Å
558	G	86	Confident	70.8	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.2	-179.9	0	0	0	0	0	110.9	C535 M581	C535-G558 PolarHBondContact N-O 3.1Å; C535-G558 PolarHBondContact O-N 3.37Å; G558-M581 VanDerWaalsContact C-SD 3.52Å
559	K	87.8	Confident	71.9	Confident	26 Å²	26	56.2 Å²	56.2	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	135.1	176.9	68.7	-167.7	179.8	-155.6	0	109.7	Y411 E418 L534 I556 M581	Y411-K559 HydrophobicContact CD2-CB 3.65Å; Y411-K559 HydrophobicContact CD2-CD 3.79Å; Y411-K559 HydrophobicContact CD2-CG 3.99Å; Y411-K559 HydrophobicContact CE2-CB 3.59Å; Y411-K559 HydrophobicContact CE2-CD 3.54Å; Y411-K559 HydrophobicContact CE2-CG 3.53Å; E418-K559 IonicContact OE1-NZ 2.88Å; E418-K559 PolarHBondContact OE1-NZ 3.33Å; E418-K559 IonicContact OE2-NZ 3.97Å; E418-K559 PolarHBondContact OE2-NZ 3.17Å; L534-K559 HydrophobicContact CD2-CB 3.78Å; I556-K559 HydrophobicContact CG2-CB 4.5Å; K559-M581 VanDerWaalsContact C-CG 3.47Å; K559-M581 PolarHBondContact N-SD 2.79Å; K559-M581 VanDerWaalsContact N-SD 3.37Å; K559-M581 WeakPolarHBondContact O-CB 3.34Å; K559-M581 VanDerWaalsContact O-CG 3.23Å; K559-M581 WeakPolarHBondContact O-CG 3.27Å
560	G	87.2	Confident	73	Confident	8 Å²	8	56.2 Å²	56.2	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	162.5	174.1	0	0	0	0	0	113	R532 I533 M581	R532-G560 VanDerWaalsContact CA-O 3.3Å; R532-G560 WeakPolarHBondContact CA-O 3.47Å; I533-G560 PolarHBondContact N-O 3.5Å; I533-G560 PolarHBondContact O-N 3.02Å; I533-G560 VanDerWaalsContact O-N 3.1Å; G560-M581 PolarHBondContact N-SD 3.4Å
561	Q	89.8	Confident	73.6	Confident	73 Å²	73	53.9 Å²	53.9	34%	0.341	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.3	-168.9	-176.9	175.8	-51.9	0	0	109.1	Y530 L531 R532	Y530-Q561 HydrophobicContact CD1-CG 3.93Å; Y530-Q561 HydrophobicContact CG-CG 4.3Å; L531-Q561 CarbonylContact O-C 3.49Å; L531-Q561 WeakPolarHBondContact O-CA 3.36Å; R532-Q561 HydrophobicContact CG-CB 3.96Å; R532-Q561 HydrophobicContact CG-CG 3.9Å
562	V	89.7	Confident	74.5	Confident	19 Å²	19	59.6 Å²	59.6	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.4	173.4	66.4	0	0	0	0	109.4	Y530 L531 I579 F588 M590	Y530-V562 WeakPolarHBondContact CA-O 3.37Å; L531-V562 HydrophobicContact CB-CG1 3.77Å; L531-V562 HydrophobicContact CD2-CG1 4.13Å; L531-V562 HydrophobicContact CG-CG1 4.22Å; L531-V562 PolarHBondContact N-O 3.06Å; L531-V562 PolarHBondContact O-N 3.03Å; V562-I579 HydrophobicContact CB-CD1 4.28Å; V562-I579 HydrophobicContact CG1-CD1 4.36Å; V562-F588 HydrophobicContact CB-CZ 4.31Å; V562-F588 HydrophobicContact CG1-CE2 4.19Å; V562-F588 HydrophobicContact CG1-CZ 3.9Å; V562-F588 HydrophobicContact CG2-CZ 4.46Å; V562-M590 HydrophobicContact CG1-CE 4.14Å; V562-M590 HydrophobicContact CG2-CE 4.01Å
563	Q	87.6	Confident	75.9	Confident	100 Å²	100	61.7 Å²	61.7	47%	0.467	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.2	175	-168.7	174.8	13.3	0	0	110	Y530 D565	Y530-Q563 HydrophobicContact CD1-CB 3.99Å; Y530-Q563 HydrophobicContact CD1-CG 4.18Å; Y530-Q563 HydrophobicContact CE1-CB 3.79Å; Y530-Q563 HydrophobicContact CE1-CG 3.77Å; Q563-D565 PolarHBondContact O-N 3.47Å
564	L	86.4	Confident	77.4	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	31%	0.312	C	S	.	.			trans	-86.6	78.8	177.4	-61.4	177.2	0	0	0	109.3	L468 L472 L525 Q529 L531 P566 M590	L468-L564 HydrophobicContact CD1-CB 3.95Å; L472-L564 HydrophobicContact CD1-CD2 4.25Å; L472-L564 HydrophobicContact CD2-CD1 4.24Å; L472-L564 HydrophobicContact CD2-CD2 3.8Å; L525-L564 HydrophobicContact CD1-CD1 3.91Å; L525-L564 HydrophobicContact CD2-CD1 4.28Å; Q529-L564 PolarHBondContact O-N 3.08Å; L531-L564 HydrophobicContact CB-CD1 4.47Å; L531-L564 HydrophobicContact CB-CD2 3.93Å; L531-L564 HydrophobicContact CB-CG 4.32Å; L564-P566 WeakPolarHBondContact O-CD 3.41Å; L564-M590 HydrophobicContact CD2-SD 4.15Å
565	D	75.1	Confident	78.1	Confident	46 Å²	46	65.9 Å²	65.9	25%	0.246	32%	0.32	C	S	.	.			trans	-77.6	122.1	175.4	174.7	6.3	0	0	0	110.4	Q563 Q567 T568 V569	Q563-D565 PolarHBondContact O-N 3.47Å; D565-Q567 PolarHBondContact O-N 2.73Å; D565-Q567 VanDerWaalsContact O-N 3.12Å; D565-Q567 PolarHBondContact OD1-N 3.35Å; D565-T568 HydrophobicContact CB-CG2 4.13Å; D565-T568 PolarHBondContact O-N 2.83Å; D565-T568 VanDerWaalsContact O-N 3.07Å; D565-T568 PolarHBondContact O-OG1 3.33Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.46Å
566	P	68.2	Low	78.6	Confident	18 Å²	18	65.8 Å²	65.8	12%	0.117	32%	0.323	C	S	.	.	H	α-helix	trans	-49.8	-37.2	174.4	-20.4	26.3	0	0	0	113.4	L468 L564 T568 Q570	L468-P566 HydrophobicContact CD2-CB 3.87Å; L468-P566 HydrophobicContact CD2-CG 3.7Å; L468-P566 HydrophobicContact CG-CG 4.46Å; L564-P566 WeakPolarHBondContact O-CD 3.41Å; P566-T568 PolarHBondContact O-N 3.01Å; P566-Q570 HydrophobicContact CB-CG 4.37Å; P566-Q570 VanDerWaalsContact CB-NE2 3.32Å; P566-Q570 WeakPolarHBondContact O-CB 3.44Å; P566-Q570 VanDerWaalsContact O-CD 3.24Å; P566-Q570 WeakPolarHBondContact O-CG 3.44Å; P566-Q570 PolarHBondContact O-N 2.84Å
567	Q	67.2	Low	78.9	Confident	170 Å²	170	66.4 Å²	66.4	79%	0.794	33%	0.327	S	S	*	.	H	α-helix	trans	-69.2	-32.7	-178.7	-59.8	-170.8	6.6	0	0	113.2	D565	D565-Q567 PolarHBondContact O-N 2.73Å; D565-Q567 VanDerWaalsContact O-N 3.12Å; D565-Q567 PolarHBondContact OD1-N 3.35Å
568	T	65.8	Low	79.2	Confident	61 Å²	61	67.2 Å²	67.2	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-83.3	-34.5	-179.9	61.4	0	0	0	0	112.2	D565 P566	D565-T568 HydrophobicContact CB-CG2 4.13Å; D565-T568 PolarHBondContact O-N 2.83Å; D565-T568 VanDerWaalsContact O-N 3.07Å; D565-T568 PolarHBondContact O-OG1 3.33Å; P566-T568 PolarHBondContact O-N 3.01Å
569	V	65.1	Low	79.5	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-97.8	-18.4	-172.2	-160.4	0	0	0	0	113.5	L472 D565 S571 M590 F592	L472-V569 HydrophobicContact CD1-CG1 3.73Å; D565-V569 WeakPolarHBondContact O-CG2 3.43Å; D565-V569 PolarHBondContact O-N 3.46Å; V569-S571 PolarHBondContact O-N 2.88Å; V569-S571 VanDerWaalsContact O-N 3.16Å; V569-M590 HydrophobicContact CG1-CG 4.29Å; V569-M590 HydrophobicContact CG1-SD 4.44Å; V569-M590 HydrophobicContact CG2-SD 4.15Å; V569-F592 HydrophobicContact CB-CB 4.15Å; V569-F592 HydrophobicContact CG1-CB 3.52Å; V569-F592 WeakPolarHBondContact O-CB 3.32Å; V569-F592 PolarHBondContact O-N 3.3Å
570	Q	59.6	Low	79.6	Confident	123 Å²	123	72.6 Å²	72.6	58%	0.575	36%	0.36	S	S	*	.			trans	-70.5	-4.7	-178.3	-81.8	173.8	10.6	0	0	115.6	P566 F592	P566-Q570 HydrophobicContact CB-CG 4.37Å; P566-Q570 VanDerWaalsContact CB-NE2 3.32Å; P566-Q570 WeakPolarHBondContact O-CB 3.44Å; P566-Q570 VanDerWaalsContact O-CD 3.24Å; P566-Q570 WeakPolarHBondContact O-CG 3.44Å; P566-Q570 PolarHBondContact O-N 2.84Å; Q570-F592 HydrophobicContact CG-CD1 4.3Å
571	S	57.6	Low	79.5	Confident	49 Å²	49	72.4 Å²	72.4	34%	0.343	36%	0.357	S	S	.	.	S	Bend	trans	-65.4	141.3	178.2	99.6	0	0	0	0	110.3	V569 N573	V569-S571 PolarHBondContact O-N 2.88Å; V569-S571 VanDerWaalsContact O-N 3.16Å; S571-N573 PolarHBondContact O-N 2.65Å; S571-N573 PolarHBondContact OG-N 3.31Å; S571-N573 PolarHBondContact OG-O 3.11Å
572	K	63.2	Low	78.9	Confident	186 Å²	186	75 Å²	75	81%	0.809	37%	0.373	S	S	*	.	S	Bend	trans	-59.3	-14.9	170.9	-78	-176	178.1	176.7	0	112.8	K591	K572-K591 VanDerWaalsContact O-CE 3.23Å; K572-K591 WeakPolarHBondContact O-CE 3.36Å; K572-K591 PolarHBondContact O-NZ 3.32Å
573	N	79	Confident	78.6	Confident	118 Å²	118	76 Å²	76	63%	0.631	39%	0.388	S	S	*	.	S	Bend	trans	-94.5	158.5	-175.4	-60.2	-28.9	0	0	0	110.7	S571 H575	S571-N573 PolarHBondContact O-N 2.65Å; S571-N573 PolarHBondContact OG-N 3.31Å; S571-N573 PolarHBondContact OG-O 3.11Å; N573-H575 PolarHBondContact O-N 2.82Å
574	W	87.4	Confident	78.7	Confident	101 Å²	101	71.7 Å²	71.7	38%	0.383	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-70.7	126.6	171.7	-71.2	98.9	0	0	0	110	H473 I475 E520 K591	H473-W574 HydrophobicContact CB-CH2 3.62Å; H473-W574 HydrophobicContact CB-CZ2 4.47Å; H473-W574 HydrophobicContact CB-CZ3 4.02Å; I475-W574 HydrophobicContact CB-CZ3 4.48Å; I475-W574 HydrophobicContact CD1-CD2 4.05Å; I475-W574 HydrophobicContact CD1-CE3 3.93Å; I475-W574 HydrophobicContact CD1-CH2 3.48Å; I475-W574 VanDerWaalsContact CD1-CH2 3.48Å; I475-W574 HydrophobicContact CD1-CZ2 3.63Å; I475-W574 HydrophobicContact CD1-CZ3 3.65Å; I475-W574 HydrophobicContact CG1-CE3 4.32Å; I475-W574 HydrophobicContact CG1-CH2 3.54Å; I475-W574 HydrophobicContact CG1-CZ2 4.19Å; I475-W574 HydrophobicContact CG1-CZ3 3.63Å; E520-W574 HydrophobicContact CG-CH2 4.12Å; W574-K591 HydrophobicContact CD2-CB 4.19Å; W574-K591 HydrophobicContact CE3-CB 3.91Å; W574-K591 HydrophobicContact CZ3-CB 4.13Å
575	H	88.1	Confident	79.1	Confident	69 Å²	69	75.9 Å²	75.9	32%	0.319	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.7	166.7	-179.4	70.9	0	0	0	108.6	N573 S589 M590	N573-H575 PolarHBondContact O-N 2.82Å; H575-S589 CarbonylContact O-C 3.55Å; H575-S589 WeakPolarHBondContact O-CA 3.44Å; H575-S589 WeakPolarHBondContact O-CB 3.47Å; H575-M590 PolarHBondContact N-O 2.59Å; H575-M590 PolarHBondContact O-N 3.29Å
576	M	89.8	Confident	80	Confident	112 Å²	112	73.7 Å²	73.7	55%	0.552	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	178.3	-173.7	177.1	80.2	0	0	109.1	E587 F588	M576-E587 HydrophobicContact CG-CG 4.47Å; M576-F588 WeakPolarHBondContact CA-O 3.44Å
577	D	90.4	Very high	81.4	Confident	54 Å²	54	75.7 Å²	75.7	29%	0.289	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.9	-176.5	-161.9	5.9	0	0	0	110.6	F588 M590	D577-F588 HydrophobicContact CB-CD1 4.5Å; D577-F588 HydrophobicContact CB-CE1 3.72Å; D577-F588 HydrophobicContact CB-CZ 3.76Å; D577-F588 PolarHBondContact N-O 2.85Å; D577-F588 VanDerWaalsContact O-CD1 3.28Å; D577-F588 WeakPolarHBondContact O-CD1 3.43Å; D577-F588 PolarHBondContact O-N 3.07Å; D577-F588 VanDerWaalsContact O-O 3.05Å; D577-M590 HydrophobicContact CB-CE 4.29Å
578	V	92.8	Very high	82.7	Confident	72 Å²	72	67.6 Å²	67.6	44%	0.436	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.5	-177.4	-178.8	0	0	0	0	109.6	K585 V586 E587	V578-K585 HydrophobicContact CG1-CB 4.08Å; V578-V586 WeakPolarHBondContact CA-O 3.36Å; V578-E587 HydrophobicContact CG2-CB 4.37Å; V578-E587 HydrophobicContact CG2-CG 4.16Å
579	I	91.3	Very high	84	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.072	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.9	173.7	-65	158.1	0	0	0	109.4	I533 V562 M581 V586 F588	I533-I579 HydrophobicContact CB-CD1 4.37Å; I533-I579 HydrophobicContact CD1-CD1 3.98Å; I533-I579 HydrophobicContact CG1-CD1 4.1Å; V562-I579 HydrophobicContact CB-CD1 4.28Å; V562-I579 HydrophobicContact CG1-CD1 4.36Å; I579-M581 HydrophobicContact CB-CE 3.76Å; I579-M581 HydrophobicContact CG2-CE 3.41Å; I579-M581 VanDerWaalsContact CG2-CE 3.41Å; I579-M581 HydrophobicContact CG2-CG 3.73Å; I579-M581 HydrophobicContact CG2-SD 4.38Å; I579-V586 PolarHBondContact N-O 3.02Å; I579-V586 PolarHBondContact O-N 2.73Å; I579-F588 HydrophobicContact CD1-CD1 4.16Å; I579-F588 HydrophobicContact CD1-CE1 3.48Å; I579-F588 VanDerWaalsContact CD1-CE1 3.48Å; I579-F588 HydrophobicContact CD1-CZ 3.73Å; I579-F588 HydrophobicContact CG1-CD1 4.41Å; I579-F588 HydrophobicContact CG1-CE1 3.57Å; I579-F588 HydrophobicContact CG1-CZ 4.11Å
580	E	89.9	Confident	85.3	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.3	175.1	-172.2	162.7	-171.3	0	0	111	I584 K585	E580-I584 CarbonylContact C-O 3.51Å; E580-I584 WeakPolarHBondContact CA-O 3.5Å; E580-K585 HydrophobicContact CB-CG 4.36Å; E580-K585 HydrophobicContact CG-CG 4.07Å; E580-K585 VanDerWaalsContact OE1-CE 3.24Å; E580-K585 WeakPolarHBondContact OE1-CE 3.44Å; E580-K585 IonicContact OE1-NZ 3.22Å; E580-K585 WeakPolarHBondContact OE2-CE 3.46Å; E580-K585 IonicContact OE2-NZ 2.93Å
581	M	85.6	Confident	86.8	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	97.7	-169.5	-47.3	175.4	-161.9	0	0	109.9	I533 G558 K559 G560 I579 G583 I584 V586	I533-M581 HydrophobicContact CB-CE 4.14Å; I533-M581 HydrophobicContact CG2-CE 4.35Å; I533-M581 WeakPolarHBondContact O-CE 3.12Å; G558-M581 VanDerWaalsContact C-SD 3.52Å; K559-M581 VanDerWaalsContact C-CG 3.47Å; K559-M581 PolarHBondContact N-SD 2.79Å; K559-M581 VanDerWaalsContact N-SD 3.37Å; K559-M581 WeakPolarHBondContact O-CB 3.34Å; K559-M581 VanDerWaalsContact O-CG 3.23Å; K559-M581 WeakPolarHBondContact O-CG 3.27Å; G560-M581 PolarHBondContact N-SD 3.4Å; I579-M581 HydrophobicContact CB-CE 3.76Å; I579-M581 HydrophobicContact CG2-CE 3.41Å; I579-M581 VanDerWaalsContact CG2-CE 3.41Å; I579-M581 HydrophobicContact CG2-CG 3.73Å; I579-M581 HydrophobicContact CG2-SD 4.38Å; M581-G583 PolarHBondContact O-N 3.03Å; M581-G583 VanDerWaalsContact O-N 3.1Å; M581-I584 HydrophobicContact CB-CB 4.49Å; M581-I584 PolarHBondContact N-O 3.41Å; M581-I584 WeakPolarHBondContact O-CB 3.36Å; M581-I584 PolarHBondContact O-N 3.4Å; M581-V586 HydrophobicContact CE-CB 3.84Å; M581-V586 HydrophobicContact CE-CG2 3.41Å; M581-V586 VanDerWaalsContact CE-CG2 3.41Å; M581-V586 HydrophobicContact SD-CG2 4.09Å
582	N	78	Confident	88.2	Confident	126 Å²	126	60.4 Å²	60.4	67%	0.674	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.1	178	-62.5	-31.9	0	0	0	114.4
583	G	82.4	Confident	89.2	Confident	41 Å²	41	53 Å²	53	42%	0.423	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-7.7	-176.6	0	0	0	0	0	115.2	M581	M581-G583 PolarHBondContact O-N 3.03Å; M581-G583 VanDerWaalsContact O-N 3.1Å
584	I	90.8	Very high	89.2	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.2	167.8	-61.8	160.9	0	0	0	108.5	A479 T480 F482 M557 E580 M581 V586	A479-I584 HydrophobicContact CB-CG2 4.46Å; T480-I584 CarbonylContact O-C 3.44Å; T480-I584 VanDerWaalsContact O-CA 3.26Å; T480-I584 WeakPolarHBondContact O-CA 3.27Å; F482-I584 HydrophobicContact CD1-CD1 3.84Å; F482-I584 HydrophobicContact CD1-CG1 4.12Å; F482-I584 HydrophobicContact CD2-CG2 4.4Å; F482-I584 HydrophobicContact CE1-CD1 3.52Å; F482-I584 HydrophobicContact CE1-CG1 4.06Å; F482-I584 HydrophobicContact CE1-CG2 4.25Å; F482-I584 HydrophobicContact CE2-CG2 3.75Å; F482-I584 HydrophobicContact CG-CG1 4.41Å; F482-I584 HydrophobicContact CZ-CD1 4.05Å; F482-I584 HydrophobicContact CZ-CG1 4.3Å; F482-I584 HydrophobicContact CZ-CG2 3.65Å; M557-I584 HydrophobicContact CB-CD1 4.1Å; M557-I584 WeakPolarHBondContact O-CD1 3.24Å; E580-I584 CarbonylContact C-O 3.51Å; E580-I584 WeakPolarHBondContact CA-O 3.5Å; M581-I584 HydrophobicContact CB-CB 4.49Å; M581-I584 PolarHBondContact N-O 3.41Å; M581-I584 WeakPolarHBondContact O-CB 3.36Å; M581-I584 PolarHBondContact O-N 3.4Å; I584-V586 HydrophobicContact CG2-CG2 4.23Å
585	K	93.4	Very high	88.3	Confident	93 Å²	93	46.1 Å²	46.1	40%	0.404	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.3	175.1	-66.4	-178	178.1	-172.1	0	109.4	A479 T480 V578 E580	A479-K585 CarbonylContact C-O 3.46Å; A479-K585 WeakPolarHBondContact CA-O 3.48Å; T480-K585 PolarHBondContact N-O 2.92Å; T480-K585 PolarHBondContact O-N 3.06Å; V578-K585 HydrophobicContact CG1-CB 4.08Å; E580-K585 HydrophobicContact CB-CG 4.36Å; E580-K585 HydrophobicContact CG-CG 4.07Å; E580-K585 VanDerWaalsContact OE1-CE 3.24Å; E580-K585 WeakPolarHBondContact OE1-CE 3.44Å; E580-K585 IonicContact OE1-NZ 3.22Å; E580-K585 WeakPolarHBondContact OE2-CE 3.46Å; E580-K585 IonicContact OE2-NZ 2.93Å
586	V	95.1	Very high	87.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.2	176.1	-174.9	0	0	0	0	109	V476 A479 I533 C535 V578 I579 M581 I584	V476-V586 HydrophobicContact CG1-CG1 4.42Å; A479-V586 HydrophobicContact CB-CG2 3.94Å; I533-V586 HydrophobicContact CG2-CG1 4.25Å; C535-V586 WeakPolarHBondContact SG-CG2 3.27Å; V578-V586 WeakPolarHBondContact CA-O 3.36Å; I579-V586 PolarHBondContact N-O 3.02Å; I579-V586 PolarHBondContact O-N 2.73Å; M581-V586 HydrophobicContact CE-CB 3.84Å; M581-V586 HydrophobicContact CE-CG2 3.41Å; M581-V586 VanDerWaalsContact CE-CG2 3.41Å; M581-V586 HydrophobicContact SD-CG2 4.09Å; I584-V586 HydrophobicContact CG2-CG2 4.23Å
587	E	96	Very high	86.4	Confident	61 Å²	61	48.6 Å²	48.6	29%	0.285	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.6	175	-170.1	-173.5	160.4	0	0	109.7	R477 S478 M576 V578	R477-E587 HydrophobicContact CB-CB 4.34Å; R477-E587 HydrophobicContact CB-CG 4.36Å; R477-E587 WeakPolarHBondContact CB-O 3.37Å; R477-E587 WeakPolarHBondContact CD-OE1 3.37Å; R477-E587 PolarHBondContact N-O 3.09Å; S478-E587 PolarHBondContact N-O 3.2Å; S478-E587 PolarHBondContact O-N 2.94Å; M576-E587 HydrophobicContact CG-CG 4.47Å; V578-E587 HydrophobicContact CG2-CB 4.37Å; V578-E587 HydrophobicContact CG2-CG 4.16Å
588	F	95	Very high	85.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.7	178.7	70.7	-67.9	0	0	0	110.9	V474 I475 L531 I533 V562 M576 D577 I579 M590	V474-F588 HydrophobicContact CG1-CD2 4.08Å; I475-F588 CarbonylContact O-C 3.49Å; I475-F588 WeakPolarHBondContact O-CA 3.44Å; I475-F588 VanDerWaalsContact O-CB 3.3Å; I475-F588 WeakPolarHBondContact O-CB 3.37Å; L531-F588 HydrophobicContact CD2-CD2 4.43Å; L531-F588 HydrophobicContact CD2-CE2 4.01Å; I533-F588 HydrophobicContact CD1-CB 4.18Å; I533-F588 HydrophobicContact CD1-CD1 4.05Å; I533-F588 HydrophobicContact CD1-CD2 3.95Å; I533-F588 HydrophobicContact CD1-CE2 4.34Å; I533-F588 HydrophobicContact CD1-CG 3.78Å; V562-F588 HydrophobicContact CB-CZ 4.31Å; V562-F588 HydrophobicContact CG1-CE2 4.19Å; V562-F588 HydrophobicContact CG1-CZ 3.9Å; V562-F588 HydrophobicContact CG2-CZ 4.46Å; M576-F588 WeakPolarHBondContact CA-O 3.44Å; D577-F588 HydrophobicContact CB-CD1 4.5Å; D577-F588 HydrophobicContact CB-CE1 3.72Å; D577-F588 HydrophobicContact CB-CZ 3.76Å; D577-F588 PolarHBondContact N-O 2.85Å; D577-F588 VanDerWaalsContact O-CD1 3.28Å; D577-F588 WeakPolarHBondContact O-CD1 3.43Å; D577-F588 PolarHBondContact O-N 3.07Å; D577-F588 VanDerWaalsContact O-O 3.05Å; I579-F588 HydrophobicContact CD1-CD1 4.16Å; I579-F588 HydrophobicContact CD1-CE1 3.48Å; I579-F588 VanDerWaalsContact CD1-CE1 3.48Å; I579-F588 HydrophobicContact CD1-CZ 3.73Å; I579-F588 HydrophobicContact CG1-CD1 4.41Å; I579-F588 HydrophobicContact CG1-CE1 3.57Å; I579-F588 HydrophobicContact CG1-CZ 4.11Å; F588-M590 HydrophobicContact CD2-CE 4.46Å; F588-M590 HydrophobicContact CE2-CE 3.34Å; F588-M590 HydrophobicContact CE2-CG 4.44Å; F588-M590 HydrophobicContact CE2-SD 4Å; F588-M590 HydrophobicContact CZ-CE 3.57Å
589	S	93.8	Very high	83.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.3	170.9	-58.1	0	0	0	0	109.9	V474 I475 R477 H575	V474-S589 CarbonylContact C-O 3.5Å; V474-S589 VanDerWaalsContact CA-O 3.31Å; V474-S589 WeakPolarHBondContact CA-O 3.12Å; I475-S589 PolarHBondContact N-O 2.92Å; I475-S589 PolarHBondContact O-N 3.29Å; R477-S589 PolarHBondContact NE-OG 3.48Å; R477-S589 PolarHBondContact NH2-OG 3.27Å; H575-S589 CarbonylContact O-C 3.55Å; H575-S589 WeakPolarHBondContact O-CA 3.44Å; H575-S589 WeakPolarHBondContact O-CB 3.47Å
590	M	92.2	Very high	82.6	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.4	177.9	63.7	-177.3	131.1	0	0	112.7	L472 H473 V474 V562 L564 V569 H575 D577 F588	L472-M590 HydrophobicContact CD1-CB 4.22Å; H473-M590 CarbonylContact O-C 3.55Å; H473-M590 WeakPolarHBondContact O-CA 3.43Å; V474-M590 HydrophobicContact CG2-CB 4.45Å; V562-M590 HydrophobicContact CG1-CE 4.14Å; V562-M590 HydrophobicContact CG2-CE 4.01Å; L564-M590 HydrophobicContact CD2-SD 4.15Å; V569-M590 HydrophobicContact CG1-CG 4.29Å; V569-M590 HydrophobicContact CG1-SD 4.44Å; V569-M590 HydrophobicContact CG2-SD 4.15Å; H575-M590 PolarHBondContact N-O 2.59Å; H575-M590 PolarHBondContact O-N 3.29Å; D577-M590 HydrophobicContact CB-CE 4.29Å; F588-M590 HydrophobicContact CD2-CE 4.46Å; F588-M590 HydrophobicContact CE2-CE 3.34Å; F588-M590 HydrophobicContact CE2-CG 4.44Å; F588-M590 HydrophobicContact CE2-SD 4Å; F588-M590 HydrophobicContact CZ-CE 3.57Å
591	K	90.1	Very high	81.9	Confident	56 Å²	56	46.3 Å²	46.3	24%	0.243	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.1	176.2	170.3	179.8	170.5	172.3	0	109	H473 K572 W574	H473-K591 HydrophobicContact CB-CB 4.36Å; H473-K591 PolarHBondContact N-O 3.11Å; H473-K591 PolarHBondContact O-N 2.96Å; K572-K591 VanDerWaalsContact O-CE 3.23Å; K572-K591 WeakPolarHBondContact O-CE 3.36Å; K572-K591 PolarHBondContact O-NZ 3.32Å; W574-K591 HydrophobicContact CD2-CB 4.19Å; W574-K591 HydrophobicContact CE3-CB 3.91Å; W574-K591 HydrophobicContact CZ3-CB 4.13Å
592	F	88.3	Confident	81.2	Confident	24 Å²	24	51.3 Å²	51.3	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.1	177.1	175.3	-106.4	0	0	0	111.8	L468 Y469 L525 V569 Q570	L468-F592 HydrophobicContact CB-CD2 4.47Å; L468-F592 HydrophobicContact CB-CE2 3.94Å; L468-F592 HydrophobicContact CB-CZ 4.3Å; L468-F592 HydrophobicContact CD1-CD2 4.07Å; L468-F592 HydrophobicContact CD1-CE2 4.32Å; L468-F592 HydrophobicContact CD1-CG 4.32Å; L468-F592 HydrophobicContact CD2-CE1 4.25Å; L468-F592 HydrophobicContact CD2-CE2 4.42Å; L468-F592 HydrophobicContact CD2-CZ 4.14Å; L468-F592 HydrophobicContact CG-CE2 4.48Å; Y469-F592 WeakPolarHBondContact O-CZ 3.41Å; L525-F592 HydrophobicContact CD1-CD2 4.29Å; L525-F592 HydrophobicContact CD1-CE2 4.3Å; V569-F592 HydrophobicContact CB-CB 4.15Å; V569-F592 HydrophobicContact CG1-CB 3.52Å; V569-F592 WeakPolarHBondContact O-CB 3.32Å; V569-F592 PolarHBondContact O-N 3.3Å; Q570-F592 HydrophobicContact CG-CD1 4.3Å
593	T	84.5	Confident	81.3	Confident	30 Å²	30	49.1 Å²	49.1	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	169.7	-57.9	0	0	0	0	108.1	F471 H473 L597	F471-T593 PolarHBondContact N-O 3.22Å; F471-T593 PolarHBondContact O-N 3.41Å; H473-T593 PolarHBondContact CD2-OG1 3.42Å; H473-T593 PolarHBondContact NE2-OG1 3.42Å; T593-L597 HydrophobicContact CG2-CB 3.98Å
594	S	77.4	Confident	81.3	Confident	36 Å²	36	48.7 Å²	48.7	25%	0.252	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	150.6	176.7	75.1	0	0	0	0	111	D596 L597 S598	S594-D596 VanDerWaalsContact C-N 3.28Å; S594-D596 PolarHBondContact O-N 2.91Å; S594-L597 PolarHBondContact O-N 2.89Å; S594-L597 VanDerWaalsContact O-N 3.12Å; S594-L597 WeakPolarHBondContact OG-CD1 3.49Å; S594-S598 PolarHBondContact O-N 3.23Å
595	R	69.9	Low	80.7	Confident	39 Å²	39	58.4 Å²	58.4	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-41.9	-179	-169.5	169.6	-85	171.9	-6.9	111.7	E524 L597 S598 L599	E524-R595 IonicContact OE1-CZ 3.97Å; E524-R595 IonicContact OE1-NE 3.65Å; E524-R595 IonicContact OE1-NH2 3.44Å; E524-R595 PolarHBondContact OE1-NH2 2.87Å; R595-L597 PolarHBondContact O-N 3.43Å; R595-S598 PolarHBondContact O-N 3.43Å; R595-S598 VanDerWaalsContact O-N 3.12Å; R595-L599 HydrophobicContact CG-CD1 3.53Å; R595-L599 HydrophobicContact CG-CD2 4.37Å; R595-L599 HydrophobicContact CG-CG 3.81Å; R595-L599 WeakPolarHBondContact O-CB 3.35Å; R595-L599 VanDerWaalsContact O-CG 3.25Å; R595-L599 WeakPolarHBondContact O-CG 3.49Å; R595-L599 PolarHBondContact O-N 3.11Å
596	D	67.1	Low	80	Confident	116 Å²	116	61.4 Å²	61.4	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-31.3	179	-56.5	-47.4	0	0	0	114.2	S594 K600	S594-D596 VanDerWaalsContact C-N 3.28Å; S594-D596 PolarHBondContact O-N 2.91Å; D596-K600 WeakPolarHBondContact O-CG 3.48Å
597	L	69.4	Low	79.4	Confident	116 Å²	116	66.1 Å²	66.1	61%	0.607	33%	0.332	S	S	*	.	H	α-helix	trans	-79.4	-39.2	177.6	-80.7	156.8	0	0	0	111.6	T593 S594 R595	T593-L597 HydrophobicContact CG2-CB 3.98Å; S594-L597 PolarHBondContact O-N 2.89Å; S594-L597 VanDerWaalsContact O-N 3.12Å; S594-L597 WeakPolarHBondContact OG-CD1 3.49Å; R595-L597 PolarHBondContact O-N 3.43Å
598	S	65.5	Low	78.8	Confident	31 Å²	31	67.4 Å²	67.4	22%	0.217	35%	0.348	C	S	.	.	H	α-helix	trans	-74.1	-30	-178.8	-174.5	0	0	0	0	112.8	F471 S594 R595 K600	F471-S598 WeakPolarHBondContact CD2-OG 3.09Å; F471-S598 VanDerWaalsContact CE2-CB 3.43Å; F471-S598 WeakPolarHBondContact CE2-OG 3.42Å; S594-S598 PolarHBondContact O-N 3.23Å; R595-S598 PolarHBondContact O-N 3.43Å; R595-S598 VanDerWaalsContact O-N 3.12Å; S598-K600 VanDerWaalsContact C-N 3.35Å; S598-K600 PolarHBondContact O-N 2.9Å
599	L	63.5	Low	78.4	Confident	29 Å²	29	67.6 Å²	67.6	15%	0.152	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.6	-176.1	-62.8	-174.8	0	0	0	114.7	R595 R601 R772 W791	R595-L599 HydrophobicContact CG-CD1 3.53Å; R595-L599 HydrophobicContact CG-CD2 4.37Å; R595-L599 HydrophobicContact CG-CG 3.81Å; R595-L599 WeakPolarHBondContact O-CB 3.35Å; R595-L599 VanDerWaalsContact O-CG 3.25Å; R595-L599 WeakPolarHBondContact O-CG 3.49Å; R595-L599 PolarHBondContact O-N 3.11Å; L599-R601 PolarHBondContact O-N 3.43Å; L599-R601 VanDerWaalsContact O-N 3.14Å; L599-R772 VanDerWaalsContact CA-NH1 3.27Å; L599-R772 VanDerWaalsContact CB-NH1 3.25Å; L599-R772 PolarHBondContact O-NH1 3.36Å; L599-W791 HydrophobicContact CD1-CH2 3.49Å; L599-W791 VanDerWaalsContact CD1-CH2 3.49Å; L599-W791 HydrophobicContact CD1-CZ2 4.32Å; L599-W791 HydrophobicContact CD1-CZ3 3.95Å
600	K	67.2	Low	78.3	Confident	125 Å²	125	67.9 Å²	67.9	54%	0.543	35%	0.352	S	S	.	.			trans	-68.9	108.1	-179.8	-76.1	-176.9	-178.3	-174.4	0	111.9	D596 S598 T602	D596-K600 WeakPolarHBondContact O-CG 3.48Å; S598-K600 VanDerWaalsContact C-N 3.35Å; S598-K600 PolarHBondContact O-N 2.9Å; K600-T602 PolarHBondContact O-N 3.42Å
601	R	73.8	Confident	78.4	Confident	34 Å²	34	68 Å²	68	13%	0.128	35%	0.352	C	S	.	.			trans	-72.9	98	173.7	-70.4	177.2	-178.4	-91.6	-1.5	109	L599 P603 F691 R692 L694	L599-R601 PolarHBondContact O-N 3.43Å; L599-R601 VanDerWaalsContact O-N 3.14Å; R601-P603 WeakPolarHBondContact O-CD 3.38Å; R601-F691 PolarHBondContact NH1-O 2.74Å; R601-R692 PolarHBondContact NH1-O 3.46Å; R601-L694 WeakPolarHBondContact CD-O 3.4Å; R601-L694 WeakPolarHBondContact CG-O 3.46Å; R601-L694 PolarHBondContact NH1-O 3.27Å
602	T	72.6	Confident	78.4	Confident	108 Å²	108	65.5 Å²	65.5	66%	0.663	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-94.3	116.1	178	-54	0	0	0	0	109.7	K600 S604	K600-T602 PolarHBondContact O-N 3.42Å; T602-S604 PolarHBondContact O-N 3.01Å
603	P	79.4	Confident	78.7	Confident	81 Å²	81	64.3 Å²	64.3	53%	0.526	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-59	137.5	173.9	-22.4	33.3	0	0	0	111	R601 K605	R601-P603 WeakPolarHBondContact O-CD 3.38Å; P603-K605 PolarHBondContact O-N 2.9Å
604	S	82.9	Confident	79.1	Confident	32 Å²	32	69.7 Å²	69.7	22%	0.224	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-67.3	133.3	177.8	179.2	0	0	0	0	110.8	T602 K606 Q607 F611 G612	T602-S604 PolarHBondContact O-N 3.01Å; S604-K606 PolarHBondContact O-N 3.23Å; S604-K606 PolarHBondContact OG-N 3.18Å; S604-K606 VanDerWaalsContact OG-N 3.11Å; S604-K606 PolarHBondContact OG-O 3.07Å; S604-Q607 PolarHBondContact O-NE2 3.07Å; S604-F611 VanDerWaalsContact CB-O 3.29Å; S604-F611 WeakPolarHBondContact CB-O 3.48Å; S604-G612 PolarHBondContact N-O 3.48Å
605	K	76.7	Confident	79.9	Confident	212 Å²	212	68.6 Å²	68.6	92%	0.922	35%	0.349	S	S	*	.	S	Bend	trans	-67.7	-23.4	170.8	-63.8	-177.3	-179	179.1	0	111.7	P603	P603-K605 PolarHBondContact O-N 2.9Å
606	K	80.1	Confident	81	Confident	156 Å²	156	70.2 Å²	70.2	68%	0.678	36%	0.36	S	S	*	.			trans	-101.2	98.4	179.4	-68.1	-177	-179.6	178.8	0	110	S604 S608 G609	S604-K606 PolarHBondContact O-N 3.23Å; S604-K606 PolarHBondContact OG-N 3.18Å; S604-K606 VanDerWaalsContact OG-N 3.11Å; S604-K606 PolarHBondContact OG-O 3.07Å; K606-S608 PolarHBondContact O-N 3.17Å; K606-S608 VanDerWaalsContact O-N 3.17Å; K606-G609 PolarHBondContact O-N 3.18Å
607	Q	81.4	Confident	82.2	Confident	100 Å²	100	67.6 Å²	67.6	47%	0.467	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.9	178.7	-63.6	-65.1	-46.5	0	0	113.8	S604 R621	S604-Q607 PolarHBondContact O-NE2 3.07Å; Q607-R621 PolarHBondContact O-NH1 3.46Å
608	S	83.3	Confident	83.4	Confident	88 Å²	88	62.1 Å²	62.1	62%	0.615	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.3	174.4	59	0	0	0	0	113.7	K606 R621	K606-S608 PolarHBondContact O-N 3.17Å; K606-S608 VanDerWaalsContact O-N 3.17Å; S608-R621 VanDerWaalsContact C-NH1 3.32Å; S608-R621 PolarHBondContact O-NH1 2.97Å; S608-R621 VanDerWaalsContact O-NH1 3.08Å; S608-R621 PolarHBondContact O-NH2 3.25Å
609	G	88.1	Confident	84.7	Confident	3 Å²	3	60.9 Å²	60.9	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	-79.5	-171	178.4	0	0	0	0	0	113.6	K606 R621 D665	K606-G609 PolarHBondContact O-N 3.18Å; G609-R621 PolarHBondContact O-NH1 3.42Å; G609-R621 VanDerWaalsContact O-NH1 3.09Å; G609-R621 PolarHBondContact O-NH2 3.44Å; G609-D665 WeakPolarHBondContact CA-O 3.3Å
610	V	91.5	Very high	86.2	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.048	33%	0.334	C	S	.	.	S	Bend	trans	-115	-36.5	176.5	-58.7	0	0	0	0	112.2	V618 I629 F664 D665	V610-V618 HydrophobicContact CB-CG1 4.49Å; V610-V618 HydrophobicContact CG1-CG1 4.08Å; V610-I629 HydrophobicContact CG2-CD1 4.38Å; V610-F664 HydrophobicContact CG2-CB 3.89Å; V610-D665 PolarHBondContact N-OD1 3.21Å
611	F	92.8	Very high	87.4	Confident	3 Å²	3	65.5 Å²	65.5	1%	0.013	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	139.9	177.5	-72.7	-98.2	0	0	0	111	S604 V613 I629 K661 F664 D665 T686 L689 Y690 E693	S604-F611 VanDerWaalsContact CB-O 3.29Å; S604-F611 WeakPolarHBondContact CB-O 3.48Å; F611-V613 PolarHBondContact O-N 3.38Å; F611-V613 VanDerWaalsContact O-N 3.15Å; F611-I629 HydrophobicContact CD2-CD1 4.47Å; F611-I629 HydrophobicContact CE1-CD1 4.39Å; F611-I629 HydrophobicContact CE2-CD1 3.43Å; F611-I629 VanDerWaalsContact CE2-CD1 3.43Å; F611-I629 HydrophobicContact CZ-CD1 3.39Å; F611-K661 HydrophobicContact CD1-CD 4.24Å; F611-K661 HydrophobicContact CD1-CG 4.07Å; F611-K661 HydrophobicContact CD2-CB 4.42Å; F611-K661 HydrophobicContact CD2-CG 3.62Å; F611-K661 HydrophobicContact CE1-CB 4.47Å; F611-K661 HydrophobicContact CE1-CD 4.43Å; F611-K661 HydrophobicContact CE1-CG 4.08Å; F611-K661 HydrophobicContact CE2-CB 3.96Å; F611-K661 HydrophobicContact CE2-CG 3.66Å; F611-K661 HydrophobicContact CG-CD 4.3Å; F611-K661 HydrophobicContact CG-CG 3.84Å; F611-K661 HydrophobicContact CZ-CB 3.98Å; F611-K661 HydrophobicContact CZ-CG 3.88Å; F611-F664 HydrophobicContact CE2-CB 4.07Å; F611-D665 WeakPolarHBondContact CD2-OD1 3.3Å; F611-D665 PolarHBondContact N-OD1 2.9Å; F611-T686 HydrophobicContact CZ-CG2 4.11Å; F611-L689 HydrophobicContact CD1-CG 4.43Å; F611-L689 HydrophobicContact CE1-CB 4.24Å; F611-L689 HydrophobicContact CE1-CD2 4.16Å; F611-L689 HydrophobicContact CE1-CG 3.9Å; F611-Y690 VanDerWaalsContact CE1-CA 3.48Å; F611-E693 HydrophobicContact CD1-CB 4.3Å; F611-E693 WeakPolarHBondContact CD1-OE2 3.5Å
612	G	91.8	Very high	88.3	Confident	4 Å²	4	66.4 Å²	66.4	4%	0.041	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	12.2	-176.5	0	0	0	0	0	114.6	S604 E693 P695	S604-G612 PolarHBondContact N-O 3.48Å; G612-E693 VanDerWaalsContact CA-O 3.25Å; G612-E693 WeakPolarHBondContact CA-O 3.43Å; G612-E693 PolarHBondContact N-O 3.37Å; G612-P695 VanDerWaalsContact O-CG 3.22Å; G612-P695 WeakPolarHBondContact O-CG 3.49Å
613	V	93	Very high	89.3	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	-108.7	143.2	177.9	-179.1	0	0	0	0	109.4	F611 I615 V617 V618 P695	F611-V613 PolarHBondContact O-N 3.38Å; F611-V613 VanDerWaalsContact O-N 3.15Å; V613-I615 PolarHBondContact O-N 3.5Å; V613-V617 HydrophobicContact CG1-CB 3.97Å; V613-V617 HydrophobicContact CG1-CG1 3.97Å; V613-V618 HydrophobicContact CB-CG2 3.99Å; V613-V618 HydrophobicContact CG1-CG2 3.83Å; V613-P695 WeakPolarHBondContact O-CD 3.4Å
614	K	92.9	Very high	90	Very high	143 Å²	143	70.4 Å²	70.4	62%	0.622	33%	0.331	S	S	*	.			trans	-58.9	131.1	179.1	-67.4	-173.8	-176.4	-171.8	0	109.9	N616 V617 V618 P695	K614-N616 PolarHBondContact O-N 3.31Å; K614-N616 VanDerWaalsContact O-N 3.12Å; K614-V617 HydrophobicContact CB-CG2 4.11Å; K614-V617 WeakPolarHBondContact O-CB 3.32Å; K614-V617 PolarHBondContact O-N 3.41Å; K614-V618 PolarHBondContact O-N 3.17Å; K614-P695 HydrophobicContact CG-CB 4.39Å; K614-P695 HydrophobicContact CG-CG 4.25Å
615	I	94.6	Very high	90.3	Very high	13 Å²	13	74.3 Å²	74.3	7%	0.067	34%	0.344	C	S	.	.	H	α-helix	trans	-52.5	-40.5	-176.6	-169.1	167.9	0	0	0	112.8	V613 V617 V618 T619 P627 L694 L698 P733 N734 T737	V613-I615 PolarHBondContact O-N 3.5Å; I615-V617 VanDerWaalsContact C-N 3.27Å; I615-V617 PolarHBondContact O-N 3.21Å; I615-V618 PolarHBondContact O-N 3.32Å; I615-T619 HydrophobicContact CG1-CG2 4.18Å; I615-T619 WeakPolarHBondContact O-CG2 3.39Å; I615-T619 PolarHBondContact O-N 2.67Å; I615-T619 PolarHBondContact O-OG1 3.25Å; I615-T619 VanDerWaalsContact O-OG1 3.05Å; I615-P627 HydrophobicContact CD1-CG 3.97Å; I615-P627 HydrophobicContact CG1-CG 3.76Å; I615-L694 HydrophobicContact CB-CD2 4.35Å; I615-L698 HydrophobicContact CD1-CD1 3.85Å; I615-P733 HydrophobicContact CG1-CB 4.41Å; I615-P733 HydrophobicContact CG2-CB 4.41Å; I615-N734 VanDerWaalsContact CG2-OD1 3.29Å; I615-N734 WeakPolarHBondContact CG2-OD1 3.4Å; I615-T737 HydrophobicContact CD1-CG2 4.11Å
616	N	93.1	Very high	91.3	Very high	72 Å²	72	64.7 Å²	64.7	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-28	178	-166.1	19.8	0	0	0	113.7	K614 T619 K620 P733	K614-N616 PolarHBondContact O-N 3.31Å; K614-N616 VanDerWaalsContact O-N 3.12Å; N616-T619 WeakPolarHBondContact CA-OG1 3.49Å; N616-T619 PolarHBondContact O-OG1 3.45Å; N616-K620 WeakPolarHBondContact O-CB 3.44Å; N616-K620 WeakPolarHBondContact O-CD 3.39Å; N616-K620 WeakPolarHBondContact O-CG 3.32Å; N616-K620 PolarHBondContact O-N 3.14Å; N616-K620 VanDerWaalsContact OD1-CE 3.3Å; N616-K620 WeakPolarHBondContact OD1-CE 3.32Å; N616-P733 HydrophobicContact CB-CG 4.29Å
617	V	93.4	Very high	92.1	Very high	62 Å²	62	57.3 Å²	57.3	38%	0.376	27%	0.271	S	S	.	.	H	α-helix	trans	-74.4	-45	175.8	175.5	0	0	0	0	109.8	V613 K614 I615 R621	V613-V617 HydrophobicContact CG1-CB 3.97Å; V613-V617 HydrophobicContact CG1-CG1 3.97Å; K614-V617 HydrophobicContact CB-CG2 4.11Å; K614-V617 WeakPolarHBondContact O-CB 3.32Å; K614-V617 PolarHBondContact O-N 3.41Å; I615-V617 VanDerWaalsContact C-N 3.27Å; I615-V617 PolarHBondContact O-N 3.21Å; V617-R621 WeakPolarHBondContact O-CB 3.5Å; V617-R621 PolarHBondContact O-N 3.05Å; V617-R621 VanDerWaalsContact O-N 3.08Å
618	V	93.8	Very high	92.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-50.6	178.8	178.8	0	0	0	0	110.7	V610 V613 K614 I615 K620 R621 E622 P627	V610-V618 HydrophobicContact CB-CG1 4.49Å; V610-V618 HydrophobicContact CG1-CG1 4.08Å; V613-V618 HydrophobicContact CB-CG2 3.99Å; V613-V618 HydrophobicContact CG1-CG2 3.83Å; K614-V618 PolarHBondContact O-N 3.17Å; I615-V618 PolarHBondContact O-N 3.32Å; V618-K620 PolarHBondContact O-N 2.76Å; V618-R621 WeakPolarHBondContact O-CB 3.4Å; V618-R621 PolarHBondContact O-N 3.38Å; V618-R621 VanDerWaalsContact O-N 3.16Å; V618-E622 HydrophobicContact CG1-CG 4.43Å; V618-E622 VanDerWaalsContact CG1-OE1 3.28Å; V618-E622 WeakPolarHBondContact CG1-OE1 3.48Å; V618-E622 WeakPolarHBondContact O-CG 3.46Å; V618-E622 PolarHBondContact O-N 3.38Å; V618-P627 HydrophobicContact CG1-CB 4.31Å
619	T	93.9	Very high	93.3	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-40	-178.6	55.6	0	0	0	0	113	I615 N616 E622 R623 S624 P627 P733	I615-T619 HydrophobicContact CG1-CG2 4.18Å; I615-T619 WeakPolarHBondContact O-CG2 3.39Å; I615-T619 PolarHBondContact O-N 2.67Å; I615-T619 PolarHBondContact O-OG1 3.25Å; I615-T619 VanDerWaalsContact O-OG1 3.05Å; N616-T619 WeakPolarHBondContact CA-OG1 3.49Å; N616-T619 PolarHBondContact O-OG1 3.45Å; T619-E622 PolarHBondContact O-N 3.18Å; T619-R623 PolarHBondContact O-N 3.36Å; T619-S624 CarbonylContact C-O 3.49Å; T619-S624 WeakPolarHBondContact CB-O 3.19Å; T619-S624 PolarHBondContact O-N 2.93Å; T619-S624 VanDerWaalsContact O-N 3.08Å; T619-S624 VanDerWaalsContact O-O 3.09Å; T619-P627 HydrophobicContact CG2-CG 3.91Å; T619-P733 HydrophobicContact CG2-CB 4.1Å
620	K	93.6	Very high	93.8	Very high	148 Å²	148	50.7 Å²	50.7	64%	0.643	23%	0.227	S	C	*	.	H	α-helix	trans	-61.4	-43.8	172.8	-78.4	176.1	-179.7	178.5	0	112.4	N616 V618 R623	N616-K620 WeakPolarHBondContact O-CB 3.44Å; N616-K620 WeakPolarHBondContact O-CD 3.39Å; N616-K620 WeakPolarHBondContact O-CG 3.32Å; N616-K620 PolarHBondContact O-N 3.14Å; N616-K620 VanDerWaalsContact OD1-CE 3.3Å; N616-K620 WeakPolarHBondContact OD1-CE 3.32Å; V618-K620 PolarHBondContact O-N 2.76Å; K620-R623 PolarHBondContact O-N 2.97Å
621	R	93.5	Very high	94.1	Very high	103 Å²	103	54.5 Å²	54.5	39%	0.389	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-42.7	178.5	-178	177.2	65.6	-146.7	2.7	111.5	Q607 S608 G609 V617 V618 R623	Q607-R621 PolarHBondContact O-NH1 3.46Å; S608-R621 VanDerWaalsContact C-NH1 3.32Å; S608-R621 PolarHBondContact O-NH1 2.97Å; S608-R621 VanDerWaalsContact O-NH1 3.08Å; S608-R621 PolarHBondContact O-NH2 3.25Å; G609-R621 PolarHBondContact O-NH1 3.42Å; G609-R621 VanDerWaalsContact O-NH1 3.09Å; G609-R621 PolarHBondContact O-NH2 3.44Å; V617-R621 WeakPolarHBondContact O-CB 3.5Å; V617-R621 PolarHBondContact O-N 3.05Å; V617-R621 VanDerWaalsContact O-N 3.08Å; V618-R621 WeakPolarHBondContact O-CB 3.4Å; V618-R621 PolarHBondContact O-N 3.38Å; V618-R621 VanDerWaalsContact O-N 3.16Å; R621-R623 VanDerWaalsContact C-N 3.26Å; R621-R623 PolarHBondContact O-N 2.93Å
622	E	92.8	Very high	94.3	Very high	53 Å²	53	55.1 Å²	55.1	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-79.6	-6.7	179.8	-67	175.9	-177.2	0	0	113.7	V618 T619 S624 P627 Y628	V618-E622 HydrophobicContact CG1-CG 4.43Å; V618-E622 VanDerWaalsContact CG1-OE1 3.28Å; V618-E622 WeakPolarHBondContact CG1-OE1 3.48Å; V618-E622 WeakPolarHBondContact O-CG 3.46Å; V618-E622 PolarHBondContact O-N 3.38Å; T619-E622 PolarHBondContact O-N 3.18Å; E622-S624 PolarHBondContact O-N 3.1Å; E622-P627 WeakPolarHBondContact OE2-CA 3.36Å; E622-Y628 WeakPolarHBondContact OE2-CB 3.4Å; E622-Y628 PolarHBondContact OE2-N 2.72Å
623	R	93	Very high	94.6	Very high	238 Å²	238	55 Å²	55	90%	0.898	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.6	-174.2	-55.8	-179.5	-179.9	-177.3	-0.3	112.6	T619 K620 R621	T619-R623 PolarHBondContact O-N 3.36Å; K620-R623 PolarHBondContact O-N 2.97Å; R621-R623 VanDerWaalsContact C-N 3.26Å; R621-R623 PolarHBondContact O-N 2.93Å
624	S	93.8	Very high	94.8	Very high	36 Å²	36	55.4 Å²	55.4	25%	0.252	25%	0.245	S	C	.	.	S	Bend	trans	-126.3	159.4	-179.8	176.8	0	0	0	0	109.9	T619 E622 V626	T619-S624 CarbonylContact C-O 3.49Å; T619-S624 WeakPolarHBondContact CB-O 3.19Å; T619-S624 PolarHBondContact O-N 2.93Å; T619-S624 VanDerWaalsContact O-N 3.08Å; T619-S624 VanDerWaalsContact O-O 3.09Å; E622-S624 PolarHBondContact O-N 3.1Å; S624-V626 WeakPolarHBondContact CB-O 3.37Å; S624-V626 PolarHBondContact OG-N 3.35Å; S624-V626 PolarHBondContact OG-O 2.74Å
625	K	90.2	Very high	95	Very high	113 Å²	113	54 Å²	54	49%	0.491	24%	0.24	S	C	.	.	S	Bend	trans	-85.9	-20.9	171.3	-67	-175.3	178.1	-177.6	0	113.2	M736	K625-M736 HydrophobicContact CB-CB 4.17Å; K625-M736 HydrophobicContact CB-CG 4.13Å; K625-M736 HydrophobicContact CD-CE 4.18Å; K625-M736 HydrophobicContact CD-CG 4.14Å
626	V	96.1	Very high	95.2	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	24%	0.24	C	C	.	.	S	Bend	trans	-124.9	130	-179.8	-176.5	0	0	0	0	108.6	S624 V630 R631 M736 T737	S624-V626 WeakPolarHBondContact CB-O 3.37Å; S624-V626 PolarHBondContact OG-N 3.35Å; S624-V626 PolarHBondContact OG-O 2.74Å; V626-V630 HydrophobicContact CG1-CB 4.08Å; V626-V630 HydrophobicContact CG1-CG1 3.98Å; V626-R631 HydrophobicContact CB-CG 4.18Å; V626-R631 HydrophobicContact CG1-CG 3.86Å; V626-R631 PolarHBondContact O-NE 2.98Å; V626-M736 HydrophobicContact CG2-CB 4.04Å; V626-T737 HydrophobicContact CG1-CG2 4.39Å
627	P	96.7	Very high	95.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.222	C	C	.	.			trans	-53.1	143	179.3	-25.6	33.2	0	0	0	112.9	I615 V618 T619 E622 I629 V630 R631 Y690 T737	I615-P627 HydrophobicContact CD1-CG 3.97Å; I615-P627 HydrophobicContact CG1-CG 3.76Å; V618-P627 HydrophobicContact CG1-CB 4.31Å; T619-P627 HydrophobicContact CG2-CG 3.91Å; E622-P627 WeakPolarHBondContact OE2-CA 3.36Å; P627-I629 VanDerWaalsContact C-N 3.33Å; P627-I629 HydrophobicContact CB-CG2 3.97Å; P627-I629 PolarHBondContact O-N 2.91Å; P627-V630 HydrophobicContact CB-CG2 4.17Å; P627-V630 HydrophobicContact CG-CG2 4.33Å; P627-V630 PolarHBondContact O-N 3.41Å; P627-R631 PolarHBondContact O-N 2.89Å; P627-Y690 HydrophobicContact CG-CE1 4.35Å; P627-Y690 VanDerWaalsContact CG-OH 3.23Å; P627-Y690 WeakPolarHBondContact CG-OH 3.41Å; P627-T737 VanDerWaalsContact CD-OG1 3.29Å; P627-T737 WeakPolarHBondContact CD-OG1 3.37Å
628	Y	95.4	Very high	95.6	Very high	51 Å²	51	50.2 Å²	50.2	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-44.4	-179.9	-179.6	-122.7	0	0	0	112.1	E622 V630 R631 Q632 F664 I671	E622-Y628 WeakPolarHBondContact OE2-CB 3.4Å; E622-Y628 PolarHBondContact OE2-N 2.72Å; Y628-V630 VanDerWaalsContact C-N 3.31Å; Y628-V630 PolarHBondContact O-N 2.84Å; Y628-R631 PolarHBondContact O-N 3.4Å; Y628-R631 VanDerWaalsContact O-N 3.15Å; Y628-Q632 HydrophobicContact CD1-CG 4.33Å; Y628-Q632 HydrophobicContact CD2-CG 3.62Å; Y628-Q632 HydrophobicContact CE1-CG 3.97Å; Y628-Q632 HydrophobicContact CE2-CG 3.2Å; Y628-Q632 VanDerWaalsContact CE2-OE1 3.26Å; Y628-Q632 HydrophobicContact CG-CG 4.17Å; Y628-Q632 WeakPolarHBondContact O-CG 3.4Å; Y628-Q632 PolarHBondContact O-N 3.39Å; Y628-Q632 PolarHBondContact OH-OE1 3.2Å; Y628-F664 HydrophobicContact CD1-CE1 4.38Å; Y628-I671 HydrophobicContact CE1-CG2 3.98Å
629	I	96.3	Very high	95.7	Very high	1 Å²	1	57 Å²	57	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-53.1	-45.1	175.3	-176.8	167.2	0	0	0	113.2	V610 F611 P627 C633 F664 T686 Y690	V610-I629 HydrophobicContact CG2-CD1 4.38Å; F611-I629 HydrophobicContact CD2-CD1 4.47Å; F611-I629 HydrophobicContact CE1-CD1 4.39Å; F611-I629 HydrophobicContact CE2-CD1 3.43Å; F611-I629 VanDerWaalsContact CE2-CD1 3.43Å; F611-I629 HydrophobicContact CZ-CD1 3.39Å; P627-I629 VanDerWaalsContact C-N 3.33Å; P627-I629 HydrophobicContact CB-CG2 3.97Å; P627-I629 PolarHBondContact O-N 2.91Å; I629-C633 WeakPolarHBondContact O-CB 3.43Å; I629-C633 PolarHBondContact O-N 3.47Å; I629-C633 PolarHBondContact O-SG 3.36Å; I629-F664 VanDerWaalsContact CA-CE1 3.49Å; I629-F664 HydrophobicContact CB-CD1 3.65Å; I629-F664 HydrophobicContact CB-CE1 3.79Å; I629-F664 HydrophobicContact CB-CG 4.08Å; I629-F664 HydrophobicContact CB-CZ 4.3Å; I629-F664 HydrophobicContact CD1-CB 4.03Å; I629-F664 HydrophobicContact CD1-CD1 4.17Å; I629-F664 HydrophobicContact CD1-CD2 3.66Å; I629-F664 HydrophobicContact CD1-CE2 4.18Å; I629-F664 HydrophobicContact CD1-CG 3.68Å; I629-F664 HydrophobicContact CG1-CD1 3.84Å; I629-F664 HydrophobicContact CG1-CD2 3.82Å; I629-F664 HydrophobicContact CG1-CE1 3.9Å; I629-F664 HydrophobicContact CG1-CE2 3.87Å; I629-F664 HydrophobicContact CG1-CG 3.83Å; I629-F664 HydrophobicContact CG1-CZ 3.92Å; I629-T686 HydrophobicContact CD1-CG2 4.25Å; I629-Y690 HydrophobicContact CD1-CD2 4.07Å; I629-Y690 HydrophobicContact CD1-CG 4.16Å; I629-Y690 HydrophobicContact CG2-CD1 4.21Å; I629-Y690 HydrophobicContact CG2-CD2 3.74Å; I629-Y690 HydrophobicContact CG2-CE1 4.23Å; I629-Y690 HydrophobicContact CG2-CE2 3.75Å; I629-Y690 HydrophobicContact CG2-CG 3.97Å
630	V	97.9	Very high	95.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-46.3	179.6	175	0	0	0	0	110.5	V626 P627 Y628 I634 L687 Y690 F691 T737	V626-V630 HydrophobicContact CG1-CB 4.08Å; V626-V630 HydrophobicContact CG1-CG1 3.98Å; P627-V630 HydrophobicContact CB-CG2 4.17Å; P627-V630 HydrophobicContact CG-CG2 4.33Å; P627-V630 PolarHBondContact O-N 3.41Å; Y628-V630 VanDerWaalsContact C-N 3.31Å; Y628-V630 PolarHBondContact O-N 2.84Å; V630-I634 HydrophobicContact CG1-CD1 3.72Å; V630-I634 WeakPolarHBondContact O-CB 3.31Å; V630-I634 VanDerWaalsContact O-CG1 3.29Å; V630-I634 WeakPolarHBondContact O-CG1 3.36Å; V630-I634 PolarHBondContact O-N 3.03Å; V630-I634 VanDerWaalsContact O-N 3.1Å; V630-L687 HydrophobicContact CB-CD1 4.26Å; V630-L687 HydrophobicContact CG1-CD1 4.23Å; V630-L687 HydrophobicContact CG2-CD1 4.08Å; V630-Y690 HydrophobicContact CG2-CD1 3.75Å; V630-Y690 HydrophobicContact CG2-CE1 3.56Å; V630-F691 HydrophobicContact CG1-CZ 4.24Å; V630-F691 HydrophobicContact CG2-CE1 4.25Å; V630-F691 HydrophobicContact CG2-CZ 3.84Å; V630-T737 HydrophobicContact CG1-CG2 4.18Å; V630-T737 HydrophobicContact CG2-CG2 4.09Å
631	R	96.8	Very high	95.8	Very high	89 Å²	89	54.5 Å²	54.5	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-45.6	-179.3	-68.9	-177.7	-70.9	111.3	-7	112.1	V626 P627 Y628 E635	V626-R631 HydrophobicContact CB-CG 4.18Å; V626-R631 HydrophobicContact CG1-CG 3.86Å; V626-R631 PolarHBondContact O-NE 2.98Å; P627-R631 PolarHBondContact O-N 2.89Å; Y628-R631 PolarHBondContact O-N 3.4Å; Y628-R631 VanDerWaalsContact O-N 3.15Å; R631-E635 VanDerWaalsContact O-CB 3.24Å; R631-E635 WeakPolarHBondContact O-CB 3.24Å; R631-E635 PolarHBondContact O-N 3.32Å
632	Q	96.9	Very high	95.8	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-72.5	-39.7	-176.2	-59.8	-59.2	-106.8	0	0	113.1	Y628 E635 E636 F664 L675	Y628-Q632 HydrophobicContact CD1-CG 4.33Å; Y628-Q632 HydrophobicContact CD2-CG 3.62Å; Y628-Q632 HydrophobicContact CE1-CG 3.97Å; Y628-Q632 HydrophobicContact CE2-CG 3.2Å; Y628-Q632 VanDerWaalsContact CE2-OE1 3.26Å; Y628-Q632 HydrophobicContact CG-CG 4.17Å; Y628-Q632 WeakPolarHBondContact O-CG 3.4Å; Y628-Q632 PolarHBondContact O-N 3.39Å; Y628-Q632 PolarHBondContact OH-OE1 3.2Å; Q632-E635 PolarHBondContact NE2-OE2 2.78Å; Q632-E635 PolarHBondContact O-N 3.39Å; Q632-E636 WeakPolarHBondContact O-CB 3.43Å; Q632-E636 PolarHBondContact O-N 3.28Å; Q632-F664 HydrophobicContact CB-CZ 4.39Å; Q632-L675 HydrophobicContact CB-CD1 3.8Å
633	C	98	Very high	95.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-43.1	174.8	-66.1	0	0	0	0	111.4	I629 V637 I683 L687	I629-C633 WeakPolarHBondContact O-CB 3.43Å; I629-C633 PolarHBondContact O-N 3.47Å; I629-C633 PolarHBondContact O-SG 3.36Å; C633-V637 WeakPolarHBondContact O-CB 3.45Å; C633-V637 VanDerWaalsContact O-CG2 3.24Å; C633-V637 WeakPolarHBondContact O-CG2 3.4Å; C633-V637 PolarHBondContact O-N 3.35Å; C633-I683 HydrophobicContact CB-CG2 3.84Å; C633-L687 HydrophobicContact CB-CB 3.87Å; C633-L687 HydrophobicContact CB-CD1 4.23Å; C633-L687 HydrophobicContact CB-CD2 4.34Å; C633-L687 HydrophobicContact CB-CG 4.37Å
634	I	98.3	Very high	95.6	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-49.6	176.1	-76.1	175.3	0	0	0	110.9	V630 E636 V637 E638 L687 T740 H744	V630-I634 HydrophobicContact CG1-CD1 3.72Å; V630-I634 WeakPolarHBondContact O-CB 3.31Å; V630-I634 VanDerWaalsContact O-CG1 3.29Å; V630-I634 WeakPolarHBondContact O-CG1 3.36Å; V630-I634 PolarHBondContact O-N 3.03Å; V630-I634 VanDerWaalsContact O-N 3.1Å; I634-E636 VanDerWaalsContact C-N 3.32Å; I634-E636 PolarHBondContact O-N 2.95Å; I634-V637 PolarHBondContact O-N 2.97Å; I634-E638 HydrophobicContact CG2-CG 4.4Å; I634-E638 WeakPolarHBondContact O-CG 3.2Å; I634-E638 PolarHBondContact O-N 3.15Å; I634-L687 HydrophobicContact CG1-CD2 3.94Å; I634-T740 HydrophobicContact CD1-CG2 4.07Å; I634-H744 HydrophobicContact CD1-CB 3.97Å; I634-H744 HydrophobicContact CG1-CB 4.16Å; I634-H744 HydrophobicContact CG2-CB 3.9Å
635	E	97.4	Very high	95.3	Very high	112 Å²	112	47 Å²	47	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-58.5	-43.5	-178.8	-176.6	175.1	-173	0	0	111.8	R631 Q632 E638 K639	R631-E635 VanDerWaalsContact O-CB 3.24Å; R631-E635 WeakPolarHBondContact O-CB 3.24Å; R631-E635 PolarHBondContact O-N 3.32Å; Q632-E635 PolarHBondContact NE2-OE2 2.78Å; Q632-E635 PolarHBondContact O-N 3.39Å; E635-E638 PolarHBondContact O-N 3.31Å; E635-K639 WeakPolarHBondContact O-CB 3.16Å; E635-K639 PolarHBondContact O-N 3.19Å
636	E	97.6	Very high	95.2	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-71.9	-37.1	-180	-165.9	61.8	-159	0	0	112.3	Q632 I634 K639 R640 L675 I680 I683	Q632-E636 WeakPolarHBondContact O-CB 3.43Å; Q632-E636 PolarHBondContact O-N 3.28Å; I634-E636 VanDerWaalsContact C-N 3.32Å; I634-E636 PolarHBondContact O-N 2.95Å; E636-K639 PolarHBondContact O-N 2.96Å; E636-K639 IonicContact OE1-NZ 3.9Å; E636-K639 IonicContact OE2-NZ 2.97Å; E636-K639 PolarHBondContact OE2-NZ 2.63Å; E636-R640 PolarHBondContact O-N 2.55Å; E636-R640 VanDerWaalsContact O-N 3.14Å; E636-R640 WeakPolarHBondContact OE1-CD 3.36Å; E636-R640 IonicContact OE1-CZ 3.7Å; E636-R640 IonicContact OE1-NE 2.71Å; E636-R640 PolarHBondContact OE1-NE 2.94Å; E636-R640 IonicContact OE1-NH2 3.93Å; E636-L675 HydrophobicContact CG-CB 4.37Å; E636-I680 HydrophobicContact CG-CD1 4.49Å; E636-I683 HydrophobicContact CB-CD1 4.32Å; E636-I683 HydrophobicContact CG-CD1 3.66Å
637	V	97.8	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-64.3	-43.1	172.9	174	0	0	0	0	111	C633 I634 K639 G641 I642 I647 Y648 I680 I683	C633-V637 WeakPolarHBondContact O-CB 3.45Å; C633-V637 VanDerWaalsContact O-CG2 3.24Å; C633-V637 WeakPolarHBondContact O-CG2 3.4Å; C633-V637 PolarHBondContact O-N 3.35Å; I634-V637 PolarHBondContact O-N 2.97Å; V637-K639 VanDerWaalsContact C-N 3.3Å; V637-K639 PolarHBondContact O-N 3.37Å; V637-G641 CarbonylContact O-C 3.59Å; V637-G641 VanDerWaalsContact O-C 3.26Å; V637-G641 WeakPolarHBondContact O-CA 3.1Å; V637-G641 PolarHBondContact O-N 3.33Å; V637-I642 PolarHBondContact O-N 2.93Å; V637-I647 HydrophobicContact CG1-CD1 4.43Å; V637-I647 HydrophobicContact CG1-CG1 3.97Å; V637-Y648 HydrophobicContact CG1-CE2 4.16Å; V637-I680 HydrophobicContact CB-CD1 4.41Å; V637-I680 HydrophobicContact CG2-CD1 3.95Å; V637-I680 HydrophobicContact CG2-CG1 4.29Å; V637-I683 HydrophobicContact CG2-CG2 4.32Å
638	E	97.3	Very high	95.1	Very high	52 Å²	52	41.4 Å²	41.4	24%	0.243	19%	0.191	C	C	.	.	I	π-helix	trans	-66.9	-34.3	176.9	-70.1	-177	173.1	0	0	112.5	I634 E635 H744 R747	I634-E638 HydrophobicContact CG2-CG 4.4Å; I634-E638 WeakPolarHBondContact O-CG 3.2Å; I634-E638 PolarHBondContact O-N 3.15Å; E635-E638 PolarHBondContact O-N 3.31Å; E638-H744 VanDerWaalsContact CG-ND1 3.27Å; E638-H744 WeakPolarHBondContact CG-ND1 3.19Å; E638-H744 IonicContact OE1-CE1 2.81Å; E638-H744 IonicContact OE1-CG 3.33Å; E638-H744 IonicContact OE1-ND1 3.31Å; E638-H744 PolarHBondContact OE1-ND1 3.04Å; E638-R747 WeakPolarHBondContact OE1-CD 3.45Å; E638-R747 IonicContact OE1-CZ 2.68Å; E638-R747 IonicContact OE1-NH1 3.63Å; E638-R747 PolarHBondContact OE1-NH1 3.23Å; E638-R747 IonicContact OE2-CZ 3.66Å; E638-R747 IonicContact OE2-NH1 3.72Å; E638-R747 PolarHBondContact OE2-NH1 3.31Å
639	K	96.1	Very high	94.9	Very high	144 Å²	144	43.1 Å²	43.1	63%	0.626	20%	0.197	S	C	*	.	I	π-helix	trans	-70.3	-40.4	-178	178.2	-176.1	166.1	-157.6	0	113.6	E635 E636 V637	E635-K639 WeakPolarHBondContact O-CB 3.16Å; E635-K639 PolarHBondContact O-N 3.19Å; E636-K639 PolarHBondContact O-N 2.96Å; E636-K639 IonicContact OE1-NZ 3.9Å; E636-K639 IonicContact OE2-NZ 2.97Å; E636-K639 PolarHBondContact OE2-NZ 2.63Å; V637-K639 VanDerWaalsContact C-N 3.3Å; V637-K639 PolarHBondContact O-N 3.37Å
640	R	95.6	Very high	94.6	Very high	99 Å²	99	44.4 Å²	44.4	37%	0.374	20%	0.204	S	C	.	.	I	π-helix	trans	-139.2	-8.8	-175.8	69.9	176.2	173.2	99.1	-2.3	116.1	E636 L675 M678 I680	E636-R640 PolarHBondContact O-N 2.55Å; E636-R640 VanDerWaalsContact O-N 3.14Å; E636-R640 WeakPolarHBondContact OE1-CD 3.36Å; E636-R640 IonicContact OE1-CZ 3.7Å; E636-R640 IonicContact OE1-NE 2.71Å; E636-R640 PolarHBondContact OE1-NE 2.94Å; E636-R640 IonicContact OE1-NH2 3.93Å; R640-L675 PolarHBondContact NH2-O 2.77Å; R640-M678 PolarHBondContact NH1-O 3.22Å; R640-M678 PolarHBondContact NH2-O 3.29Å; R640-I680 HydrophobicContact CG-CD1 3.98Å
641	G	93.9	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-100.8	-9.2	-175.5	0	0	0	0	0	115.7	V637 D643 E644	V637-G641 CarbonylContact O-C 3.59Å; V637-G641 VanDerWaalsContact O-C 3.26Å; V637-G641 WeakPolarHBondContact O-CA 3.1Å; V637-G641 PolarHBondContact O-N 3.33Å; G641-D643 PolarHBondContact O-N 3.25Å; G641-E644 VanDerWaalsContact O-CB 3.26Å; G641-E644 WeakPolarHBondContact O-CB 3.22Å; G641-E644 PolarHBondContact O-N 3.47Å
642	I	94.6	Very high	93.9	Very high	34 Å²	34	41.5 Å²	41.5	17%	0.174	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.7	-168.9	-154.7	174.7	0	0	0	112.9	V637 K751 N755	V637-I642 PolarHBondContact O-N 2.93Å; I642-K751 HydrophobicContact CD1-CG 3.96Å; I642-K751 HydrophobicContact CG1-CB 4.43Å; I642-K751 HydrophobicContact CG1-CG 3.89Å; I642-N755 WeakPolarHBondContact O-CB 3.47Å; I642-N755 PolarHBondContact O-ND2 3.42Å
643	D	91.1	Very high	93.7	Very high	87 Å²	87	41.2 Å²	41.2	47%	0.465	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.8	177.9	-62.5	-38.3	0	0	0	112.4	G641 V645 V754	G641-D643 PolarHBondContact O-N 3.25Å; D643-V645 PolarHBondContact O-N 3.24Å; D643-V754 HydrophobicContact CB-CG1 3.97Å
644	E	90.3	Very high	93.4	Very high	82 Å²	82	41.8 Å²	41.8	38%	0.383	20%	0.202	S	C	.	.	S	Bend	trans	-70.3	121.7	-179.2	-175.6	66	-159	0	0	110.6	G641 G646 I647 I680 N755	G641-E644 VanDerWaalsContact O-CB 3.26Å; G641-E644 WeakPolarHBondContact O-CB 3.22Å; G641-E644 PolarHBondContact O-N 3.47Å; E644-G646 PolarHBondContact O-N 2.87Å; E644-I647 HydrophobicContact CB-CB 4.28Å; E644-I647 HydrophobicContact CB-CD1 4.49Å; E644-I647 WeakPolarHBondContact O-CB 3.24Å; E644-I647 PolarHBondContact O-N 3.49Å; E644-I680 HydrophobicContact CB-CG2 4.13Å; E644-I680 HydrophobicContact CG-CG2 3.76Å; E644-N755 WeakPolarHBondContact O-CB 3.43Å
645	V	87.3	Confident	93	Very high	71 Å²	71	44.5 Å²	44.5	43%	0.43	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	123.5	-177.7	-179.6	0	0	0	0	110.6	D643 I647 N755 K756	D643-V645 PolarHBondContact O-N 3.24Å; V645-I647 VanDerWaalsContact C-N 3.33Å; V645-N755 CarbonylContact C-O 3.52Å; V645-N755 WeakPolarHBondContact CA-O 3.38Å; V645-K756 HydrophobicContact CG1-CB 4.49Å; V645-K756 HydrophobicContact CG1-CG 4.12Å
646	G	88.7	Confident	92.8	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	20.6	178.7	0	0	0	0	0	114.2	E644 Y648 R649 I650 N755	E644-G646 PolarHBondContact O-N 2.87Å; G646-Y648 PolarHBondContact O-N 3.17Å; G646-R649 WeakPolarHBondContact O-CA 3.41Å; G646-R649 WeakPolarHBondContact O-CB 3.24Å; G646-R649 PolarHBondContact O-N 3.33Å; G646-I650 PolarHBondContact O-N 3.26Å; G646-N755 PolarHBondContact N-O 2.88Å
647	I	95	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	135.6	175	-170.6	62.3	0	0	0	111.1	V637 E644 V645 R649 I680 A684 V748 M757	V637-I647 HydrophobicContact CG1-CD1 4.43Å; V637-I647 HydrophobicContact CG1-CG1 3.97Å; E644-I647 HydrophobicContact CB-CB 4.28Å; E644-I647 HydrophobicContact CB-CD1 4.49Å; E644-I647 WeakPolarHBondContact O-CB 3.24Å; E644-I647 PolarHBondContact O-N 3.49Å; V645-I647 VanDerWaalsContact C-N 3.33Å; I647-R649 PolarHBondContact O-N 2.9Å; I647-R649 VanDerWaalsContact O-N 3.11Å; I647-I680 HydrophobicContact CD1-CG1 3.97Å; I647-I680 HydrophobicContact CD1-CG2 4.17Å; I647-A684 HydrophobicContact CD1-CB 3.8Å; I647-A684 HydrophobicContact CG1-CB 4.49Å; I647-V748 HydrophobicContact CG2-CG1 3.7Å; I647-M757 HydrophobicContact CG2-CG 4.06Å; I647-M757 WeakPolarHBondContact O-CE 3.34Å; I647-M757 WeakPolarHBondContact O-CG 3.29Å
648	Y	94.8	Very high	92.5	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	-26.2	-167.7	-59.2	-71.6	0	0	0	117.1	V637 G646 A684 L687 K688 H744 L745 V748 L762 F766	V637-Y648 HydrophobicContact CG1-CE2 4.16Å; G646-Y648 PolarHBondContact O-N 3.17Å; Y648-A684 HydrophobicContact CD1-CB 3.6Å; Y648-A684 HydrophobicContact CE1-CB 3.63Å; Y648-A684 HydrophobicContact CG-CB 4.29Å; Y648-L687 HydrophobicContact CE1-CD2 4.02Å; Y648-K688 HydrophobicContact CD1-CD 4.42Å; Y648-K688 HydrophobicContact CD1-CG 4.25Å; Y648-K688 WeakPolarHBondContact O-CE 3.29Å; Y648-K688 PolarHBondContact O-NZ 3.48Å; Y648-H744 AromaticContact CE2-NE2 3.37Å; Y648-H744 WeakPolarHBondContact CE2-NE2 3.27Å; Y648-H744 AromaticContact CZ-NE2 3.39Å; Y648-H744 PolarHBondContact OH-CD2 2.68Å; Y648-H744 VanDerWaalsContact OH-CD2 3.31Å; Y648-H744 PolarHBondContact OH-NE2 2.68Å; Y648-L745 HydrophobicContact CD2-CD2 4.48Å; Y648-L745 HydrophobicContact CE2-CD2 4.33Å; Y648-V748 HydrophobicContact CE2-CG2 4.32Å; Y648-L762 HydrophobicContact CD2-CD2 4.08Å; Y648-F766 AromaticContact CD1-CE2 3.65Å; Y648-F766 HydrophobicContact CD1-CE2 3.65Å; Y648-F766 AromaticContact CD1-CZ 3.58Å; Y648-F766 HydrophobicContact CD1-CZ 3.58Å; Y648-F766 HydrophobicContact CD2-CE2 4.17Å; Y648-F766 HydrophobicContact CE1-CE2 4.11Å; Y648-F766 AromaticContact CE1-CZ 3.73Å; Y648-F766 HydrophobicContact CE1-CZ 3.73Å; Y648-F766 AromaticContact CG-CE2 3.69Å; Y648-F766 HydrophobicContact CG-CE2 3.69Å; Y648-F766 HydrophobicContact CG-CZ 4.12Å
649	R	90.6	Very high	92.3	Very high	87 Å²	87	45.7 Å²	45.7	33%	0.328	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-43.5	176.5	-174.6	-177.5	-175.9	-145.8	9.5	112	E340 G646 I647 M757 V765	E340-R649 IonicContact OE1-CZ 3.21Å; E340-R649 VanDerWaalsContact OE1-CZ 3.3Å; E340-R649 IonicContact OE1-NE 3.26Å; E340-R649 IonicContact OE1-NH2 3.06Å; E340-R649 PolarHBondContact OE1-NH2 3.12Å; G646-R649 WeakPolarHBondContact O-CA 3.41Å; G646-R649 WeakPolarHBondContact O-CB 3.24Å; G646-R649 PolarHBondContact O-N 3.33Å; I647-R649 PolarHBondContact O-N 2.9Å; I647-R649 VanDerWaalsContact O-N 3.11Å; R649-M757 HydrophobicContact CB-CE 3.91Å; R649-M757 HydrophobicContact CB-SD 3.77Å; R649-V765 HydrophobicContact CB-CG2 4.47Å
650	I	89.8	Confident	92.2	Very high	28 Å²	28	38.8 Å²	38.8	14%	0.144	20%	0.203	C	C	.	.	S	Bend	trans	-75	135.2	176.8	-56.4	-58.5	0	0	0	109.9	G646	G646-I650 PolarHBondContact O-N 3.26Å
651	S	89.4	Confident	92.2	Very high	24 Å²	24	35.9 Å²	35.9	17%	0.168	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-75.4	127.3	176.7	-73.2	0	0	0	0	110.9	K503 E522	K503-S651 PolarHBondContact O-N 3.33Å; E522-S651 WeakPolarHBondContact O-CB 3.36Å; E522-S651 PolarHBondContact O-OG 3.32Å
652	G	91.6	Very high	92.1	Very high	4 Å²	4	41.2 Å²	41.2	4%	0.041	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.4	166.8	166.6	0	0	0	0	0	112.3	A654	G652-A654 PolarHBondContact O-N 3Å
653	V	92.9	Very high	92.1	Very high	9 Å²	9	39.8 Å²	39.8	6%	0.055	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-62.9	121.8	177.7	-174.8	0	0	0	0	109.8	E519 E520 F521 T655 D656 I657	E519-V653 HydrophobicContact CB-CG1 4.06Å; E519-V653 HydrophobicContact CB-CG2 4.25Å; E519-V653 HydrophobicContact CG-CG1 4.13Å; E519-V653 HydrophobicContact CG-CG2 4.11Å; E520-V653 CarbonylContact O-C 3.59Å; E520-V653 WeakPolarHBondContact O-CA 3.42Å; F521-V653 HydrophobicContact CE1-CG2 3.93Å; F521-V653 HydrophobicContact CZ-CG2 4.19Å; V653-T655 VanDerWaalsContact C-N 3.32Å; V653-T655 VanDerWaalsContact CG1-OG1 3.29Å; V653-T655 WeakPolarHBondContact CG1-OG1 3.37Å; V653-T655 PolarHBondContact O-N 2.89Å; V653-D656 HydrophobicContact CB-CB 4.35Å; V653-D656 PolarHBondContact O-N 3.41Å; V653-D656 VanDerWaalsContact O-N 3.15Å; V653-I657 WeakPolarHBondContact O-CG1 3.43Å; V653-I657 PolarHBondContact O-N 3.07Å; V653-I657 VanDerWaalsContact O-N 3.09Å
654	A	90.7	Very high	92.2	Very high	12 Å²	12	36 Å²	36	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-36.3	-173.5	0	0	0	0	0	112.4	E520 G652 D656 I657 Q658	E520-A654 HydrophobicContact CB-CB 4.01Å; E520-A654 HydrophobicContact CG-CB 3.84Å; E520-A654 WeakPolarHBondContact O-CB 3.48Å; E520-A654 PolarHBondContact O-N 3.02Å; G652-A654 PolarHBondContact O-N 3Å; A654-D656 VanDerWaalsContact C-N 3.31Å; A654-D656 PolarHBondContact O-N 2.99Å; A654-I657 PolarHBondContact O-N 3.13Å; A654-Q658 WeakPolarHBondContact O-CG 3.45Å; A654-Q658 PolarHBondContact O-N 3.43Å
655	T	90.8	Very high	92.2	Very high	68 Å²	68	34 Å²	34	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-62.5	-38.9	176.1	52.5	0	0	0	0	112.1	E520 V653 Q658 A659	E520-T655 HydrophobicContact CB-CG2 4.39Å; V653-T655 VanDerWaalsContact C-N 3.32Å; V653-T655 VanDerWaalsContact CG1-OG1 3.29Å; V653-T655 WeakPolarHBondContact CG1-OG1 3.37Å; V653-T655 PolarHBondContact O-N 2.89Å; T655-Q658 PolarHBondContact O-N 3.14Å; T655-A659 WeakPolarHBondContact O-CB 3.31Å; T655-A659 PolarHBondContact O-N 3.14Å
656	D	93.9	Very high	92.3	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-40.9	177.9	-66.6	-6.7	0	0	0	110.7	V653 A654 Q658 A659 L660 M678 A682	V653-D656 HydrophobicContact CB-CB 4.35Å; V653-D656 PolarHBondContact O-N 3.41Å; V653-D656 VanDerWaalsContact O-N 3.15Å; A654-D656 VanDerWaalsContact C-N 3.31Å; A654-D656 PolarHBondContact O-N 2.99Å; D656-Q658 VanDerWaalsContact C-N 3.33Å; D656-Q658 PolarHBondContact O-N 2.98Å; D656-A659 PolarHBondContact O-N 2.9Å; D656-L660 WeakPolarHBondContact O-CG 3.35Å; D656-L660 PolarHBondContact O-N 3.3Å; D656-M678 HydrophobicContact CB-CE 3.77Å; D656-M678 HydrophobicContact CB-SD 4.37Å; D656-A682 HydrophobicContact CB-CB 3.76Å
657	I	94.3	Very high	92	Very high	23 Å²	23	39.9 Å²	39.9	12%	0.118	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-44.3	173.2	-64.6	168	0	0	0	110.8	V653 A654 L660 K661 A682 L689	V653-I657 WeakPolarHBondContact O-CG1 3.43Å; V653-I657 PolarHBondContact O-N 3.07Å; V653-I657 VanDerWaalsContact O-N 3.09Å; A654-I657 PolarHBondContact O-N 3.13Å; I657-L660 PolarHBondContact O-N 3.46Å; I657-K661 WeakPolarHBondContact O-CB 3.46Å; I657-K661 PolarHBondContact O-N 3.45Å; I657-A682 HydrophobicContact CG1-CB 4.15Å; I657-A682 WeakPolarHBondContact CG1-O 3.48Å; I657-L689 HydrophobicContact CG2-CB 4.42Å; I657-L689 HydrophobicContact CG2-CD2 3.58Å
658	Q	93.4	Very high	91.3	Very high	98 Å²	98	42.3 Å²	42.3	46%	0.458	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-35.7	177.5	-66.9	-54	-43.5	0	0	112.4	A654 T655 D656 K661 L662	A654-Q658 WeakPolarHBondContact O-CG 3.45Å; A654-Q658 PolarHBondContact O-N 3.43Å; T655-Q658 PolarHBondContact O-N 3.14Å; D656-Q658 VanDerWaalsContact C-N 3.33Å; D656-Q658 PolarHBondContact O-N 2.98Å; Q658-K661 WeakPolarHBondContact O-CB 3.27Å; Q658-K661 PolarHBondContact O-N 3.45Å; Q658-L662 PolarHBondContact O-N 3.18Å
659	A	93.1	Very high	90.6	Very high	37 Å²	37	51.9 Å²	51.9	31%	0.306	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-43.5	174.5	0	0	0	0	0	111.8	T655 D656 L662 A663 M678	T655-A659 WeakPolarHBondContact O-CB 3.31Å; T655-A659 PolarHBondContact O-N 3.14Å; D656-A659 PolarHBondContact O-N 2.9Å; A659-L662 PolarHBondContact O-N 3.33Å; A659-A663 WeakPolarHBondContact O-CB 3.43Å; A659-A663 PolarHBondContact O-N 2.97Å; A659-M678 HydrophobicContact CB-CE 3.95Å
660	L	95.2	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-44.1	173	-73.9	170.6	0	0	0	111.6	D656 I657 L662 A663 F664 M674 L675 M678 I683 T686	D656-L660 WeakPolarHBondContact O-CG 3.35Å; D656-L660 PolarHBondContact O-N 3.3Å; I657-L660 PolarHBondContact O-N 3.46Å; L660-L662 VanDerWaalsContact C-N 3.31Å; L660-L662 PolarHBondContact O-N 3.03Å; L660-A663 PolarHBondContact O-N 3.24Å; L660-A663 VanDerWaalsContact O-N 3.16Å; L660-F664 VanDerWaalsContact O-CD2 3.22Å; L660-F664 WeakPolarHBondContact O-CD2 3.35Å; L660-F664 PolarHBondContact O-N 3.39Å; L660-M674 HydrophobicContact CD2-CB 4.42Å; L660-L675 HydrophobicContact CD2-CD2 3.85Å; L660-L675 HydrophobicContact CD2-CG 4.44Å; L660-M678 HydrophobicContact CD1-SD 3.65Å; L660-M678 HydrophobicContact CD2-SD 3.47Å; L660-M678 WeakPolarHBondContact CD2-SD 3.44Å; L660-M678 HydrophobicContact CG-CE 4.34Å; L660-M678 HydrophobicContact CG-SD 3.31Å; L660-M678 WeakPolarHBondContact CG-SD 3.47Å; L660-I683 HydrophobicContact CD1-CG1 4.03Å; L660-T686 HydrophobicContact CB-CG2 3.84Å; L660-T686 WeakPolarHBondContact CB-OG1 3.37Å; L660-T686 VanDerWaalsContact CD1-OG1 3.24Å; L660-T686 WeakPolarHBondContact CD1-OG1 3.49Å
661	K	93.9	Very high	90.4	Very high	38 Å²	38	51.5 Å²	51.5	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-52.5	-51	174.3	175.5	179.6	-176.3	174.8	0	111.1	F611 I657 Q658 A663 F664 D665 L689 E693	F611-K661 HydrophobicContact CD1-CD 4.24Å; F611-K661 HydrophobicContact CD1-CG 4.07Å; F611-K661 HydrophobicContact CD2-CB 4.42Å; F611-K661 HydrophobicContact CD2-CG 3.62Å; F611-K661 HydrophobicContact CE1-CB 4.47Å; F611-K661 HydrophobicContact CE1-CD 4.43Å; F611-K661 HydrophobicContact CE1-CG 4.08Å; F611-K661 HydrophobicContact CE2-CB 3.96Å; F611-K661 HydrophobicContact CE2-CG 3.66Å; F611-K661 HydrophobicContact CG-CD 4.3Å; F611-K661 HydrophobicContact CG-CG 3.84Å; F611-K661 HydrophobicContact CZ-CB 3.98Å; F611-K661 HydrophobicContact CZ-CG 3.88Å; I657-K661 WeakPolarHBondContact O-CB 3.46Å; I657-K661 PolarHBondContact O-N 3.45Å; Q658-K661 WeakPolarHBondContact O-CB 3.27Å; Q658-K661 PolarHBondContact O-N 3.45Å; K661-A663 PolarHBondContact O-N 3.45Å; K661-F664 PolarHBondContact O-N 2.89Å; K661-D665 WeakPolarHBondContact O-CB 3.24Å; K661-D665 PolarHBondContact O-N 2.99Å; K661-L689 HydrophobicContact CD-CD2 4.04Å; K661-E693 WeakPolarHBondContact CE-OE2 3.22Å; K661-E693 IonicContact NZ-OE1 2.77Å; K661-E693 PolarHBondContact NZ-OE1 2.96Å; K661-E693 IonicContact NZ-OE2 3.54Å; K661-E693 PolarHBondContact NZ-OE2 3.35Å
662	L	93	Very high	90.3	Very high	111 Å²	111	55.1 Å²	55.1	58%	0.581	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-42.2	178.6	-179.6	63.1	0	0	0	112.1	Q658 A659 L660 D665 T666	Q658-L662 PolarHBondContact O-N 3.18Å; A659-L662 PolarHBondContact O-N 3.33Å; L660-L662 VanDerWaalsContact C-N 3.31Å; L660-L662 PolarHBondContact O-N 3.03Å; L662-D665 PolarHBondContact O-N 2.99Å; L662-T666 HydrophobicContact CD1-CG2 3.95Å; L662-T666 HydrophobicContact CG-CG2 4.5Å; L662-T666 WeakPolarHBondContact O-CB 3.36Å; L662-T666 WeakPolarHBondContact O-CG2 3.47Å; L662-T666 PolarHBondContact O-N 3.49Å; L662-T666 PolarHBondContact O-OG1 3.36Å
663	A	93.4	Very high	90.2	Very high	5 Å²	5	58.9 Å²	58.9	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-43.4	178.9	0	0	0	0	0	112	A659 L660 K661 T666 N667 T668 I671 M674	A659-A663 WeakPolarHBondContact O-CB 3.43Å; A659-A663 PolarHBondContact O-N 2.97Å; L660-A663 PolarHBondContact O-N 3.24Å; L660-A663 VanDerWaalsContact O-N 3.16Å; K661-A663 PolarHBondContact O-N 3.45Å; A663-T666 PolarHBondContact O-OG1 3.43Å; A663-N667 PolarHBondContact O-N 3.01Å; A663-N667 VanDerWaalsContact O-N 3.1Å; A663-T668 PolarHBondContact O-N 3.08Å; A663-T668 VanDerWaalsContact O-N 3.07Å; A663-I671 HydrophobicContact CB-CD1 4.25Å; A663-I671 HydrophobicContact CB-CG1 4.49Å; A663-M674 HydrophobicContact CB-CE 4.21Å; A663-M674 HydrophobicContact CB-SD 3.74Å
664	F	93.8	Very high	90.2	Very high	7 Å²	7	61.2 Å²	61.2	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-43.1	174.3	-82.2	-66.9	0	0	0	112.2	V610 F611 Y628 I629 Q632 L660 K661 T666 N667 I671 L675 T686	V610-F664 HydrophobicContact CG2-CB 3.89Å; F611-F664 HydrophobicContact CE2-CB 4.07Å; Y628-F664 HydrophobicContact CD1-CE1 4.38Å; I629-F664 VanDerWaalsContact CA-CE1 3.49Å; I629-F664 HydrophobicContact CB-CD1 3.65Å; I629-F664 HydrophobicContact CB-CE1 3.79Å; I629-F664 HydrophobicContact CB-CG 4.08Å; I629-F664 HydrophobicContact CB-CZ 4.3Å; I629-F664 HydrophobicContact CD1-CB 4.03Å; I629-F664 HydrophobicContact CD1-CD1 4.17Å; I629-F664 HydrophobicContact CD1-CD2 3.66Å; I629-F664 HydrophobicContact CD1-CE2 4.18Å; I629-F664 HydrophobicContact CD1-CG 3.68Å; I629-F664 HydrophobicContact CG1-CD1 3.84Å; I629-F664 HydrophobicContact CG1-CD2 3.82Å; I629-F664 HydrophobicContact CG1-CE1 3.9Å; I629-F664 HydrophobicContact CG1-CE2 3.87Å; I629-F664 HydrophobicContact CG1-CG 3.83Å; I629-F664 HydrophobicContact CG1-CZ 3.92Å; Q632-F664 HydrophobicContact CB-CZ 4.39Å; L660-F664 VanDerWaalsContact O-CD2 3.22Å; L660-F664 WeakPolarHBondContact O-CD2 3.35Å; L660-F664 PolarHBondContact O-N 3.39Å; K661-F664 PolarHBondContact O-N 2.89Å; F664-T666 VanDerWaalsContact C-N 3.27Å; F664-T666 PolarHBondContact O-N 3.26Å; F664-N667 PolarHBondContact O-N 3.48Å; F664-I671 HydrophobicContact CB-CD1 4.17Å; F664-I671 HydrophobicContact CD1-CD1 3.16Å; F664-I671 HydrophobicContact CD1-CG1 4.34Å; F664-I671 HydrophobicContact CD2-CD1 3.84Å; F664-I671 HydrophobicContact CE1-CD1 3.25Å; F664-I671 HydrophobicContact CE1-CG1 4.01Å; F664-I671 HydrophobicContact CE2-CD1 3.92Å; F664-I671 HydrophobicContact CE2-CG1 4.35Å; F664-I671 HydrophobicContact CG-CD1 3.45Å; F664-I671 VanDerWaalsContact CG-CD1 3.45Å; F664-I671 HydrophobicContact CZ-CD1 3.64Å; F664-I671 HydrophobicContact CZ-CG1 4.01Å; F664-L675 HydrophobicContact CE2-CD2 4.42Å; F664-L675 HydrophobicContact CZ-CD1 4.23Å; F664-L675 HydrophobicContact CZ-CD2 4.4Å; F664-T686 HydrophobicContact CD2-CG2 4.13Å; F664-T686 HydrophobicContact CE2-CG2 4.17Å
665	D	91.3	Very high	90.2	Very high	41 Å²	41	60.8 Å²	60.8	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-65	-30.6	179.4	-96.8	-8.2	0	0	0	113.4	G609 V610 F611 K661 L662	G609-D665 WeakPolarHBondContact CA-O 3.3Å; V610-D665 PolarHBondContact N-OD1 3.21Å; F611-D665 WeakPolarHBondContact CD2-OD1 3.3Å; F611-D665 PolarHBondContact N-OD1 2.9Å; K661-D665 WeakPolarHBondContact O-CB 3.24Å; K661-D665 PolarHBondContact O-N 2.99Å; L662-D665 PolarHBondContact O-N 2.99Å
666	T	89.1	Confident	90.2	Very high	82 Å²	82	60.2 Å²	60.2	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-91.8	-6.6	177.7	54	0	0	0	0	113.1	L662 A663 F664 T668	L662-T666 HydrophobicContact CD1-CG2 3.95Å; L662-T666 HydrophobicContact CG-CG2 4.5Å; L662-T666 WeakPolarHBondContact O-CB 3.36Å; L662-T666 WeakPolarHBondContact O-CG2 3.47Å; L662-T666 PolarHBondContact O-N 3.49Å; L662-T666 PolarHBondContact O-OG1 3.36Å; A663-T666 PolarHBondContact O-OG1 3.43Å; F664-T666 VanDerWaalsContact C-N 3.27Å; F664-T666 PolarHBondContact O-N 3.26Å; T666-T668 VanDerWaalsContact C-N 3.34Å; T666-T668 PolarHBondContact O-N 3.35Å; T666-T668 PolarHBondContact OG1-OG1 3.34Å
667	N	82.2	Confident	90	Very high	117 Å²	117	64 Å²	64	63%	0.626	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	50.8	-174.7	-167.8	45.1	0	0	0	112.2	A663 F664	A663-N667 PolarHBondContact O-N 3.01Å; A663-N667 VanDerWaalsContact O-N 3.1Å; F664-N667 PolarHBondContact O-N 3.48Å
668	T	79.8	Confident	89.9	Confident	51 Å²	51	64.3 Å²	64.3	31%	0.313	34%	0.344	S	S	.	.			trans	-67.1	138.9	-179.3	-62.2	0	0	0	0	110.7	A663 T666 D670 I671	A663-T668 PolarHBondContact O-N 3.08Å; A663-T668 VanDerWaalsContact O-N 3.07Å; T666-T668 VanDerWaalsContact C-N 3.34Å; T666-T668 PolarHBondContact O-N 3.35Å; T666-T668 PolarHBondContact OG1-OG1 3.34Å; T668-D670 HydrophobicContact CG2-CB 4.19Å; T668-D670 PolarHBondContact O-N 3.44Å; T668-I671 PolarHBondContact O-N 3.06Å
669	K	80.8	Confident	89.9	Confident	201 Å²	201	63 Å²	63	87%	0.874	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.2	-178.2	-67.7	-174.7	-179.4	179.1	0	113.6	I671	K669-I671 VanDerWaalsContact C-N 3.26Å; K669-I671 PolarHBondContact O-N 3.03Å
670	D	85.6	Confident	90	Very high	103 Å²	103	61.5 Å²	61.5	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	9.3	-175.8	-53	-43.1	0	0	0	113.4	T668 L672 V673 M674	T668-D670 HydrophobicContact CG2-CB 4.19Å; T668-D670 PolarHBondContact O-N 3.44Å; D670-L672 VanDerWaalsContact C-N 3.26Å; D670-L672 PolarHBondContact O-N 2.77Å; D670-V673 WeakPolarHBondContact O-CB 3.32Å; D670-V673 PolarHBondContact O-N 3.08Å; D670-M674 PolarHBondContact O-N 3.15Å
671	I	89.6	Confident	90	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-35.3	-172.6	-158.8	152.5	0	0	0	113.6	Y628 A663 F664 T668 K669 V673 M674 L675	Y628-I671 HydrophobicContact CE1-CG2 3.98Å; A663-I671 HydrophobicContact CB-CD1 4.25Å; A663-I671 HydrophobicContact CB-CG1 4.49Å; F664-I671 HydrophobicContact CB-CD1 4.17Å; F664-I671 HydrophobicContact CD1-CD1 3.16Å; F664-I671 HydrophobicContact CD1-CG1 4.34Å; F664-I671 HydrophobicContact CD2-CD1 3.84Å; F664-I671 HydrophobicContact CE1-CD1 3.25Å; F664-I671 HydrophobicContact CE1-CG1 4.01Å; F664-I671 HydrophobicContact CE2-CD1 3.92Å; F664-I671 HydrophobicContact CE2-CG1 4.35Å; F664-I671 HydrophobicContact CG-CD1 3.45Å; F664-I671 VanDerWaalsContact CG-CD1 3.45Å; F664-I671 HydrophobicContact CZ-CD1 3.64Å; F664-I671 HydrophobicContact CZ-CG1 4.01Å; T668-I671 PolarHBondContact O-N 3.06Å; K669-I671 VanDerWaalsContact C-N 3.26Å; K669-I671 PolarHBondContact O-N 3.03Å; I671-V673 VanDerWaalsContact C-N 3.31Å; I671-V673 PolarHBondContact O-N 3.48Å; I671-M674 PolarHBondContact O-N 3.18Å; I671-L675 HydrophobicContact CG1-CD1 4.48Å; I671-L675 WeakPolarHBondContact O-CB 3.49Å; I671-L675 VanDerWaalsContact O-CG 3.22Å; I671-L675 WeakPolarHBondContact O-CG 3.46Å; I671-L675 PolarHBondContact O-N 3.12Å
672	L	88.9	Confident	90.1	Very high	99 Å²	99	60.3 Å²	60.3	52%	0.518	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-37.3	176.1	-72.1	175.6	0	0	0	112.2	D670 S676	D670-L672 VanDerWaalsContact C-N 3.26Å; D670-L672 PolarHBondContact O-N 2.77Å; L672-S676 PolarHBondContact O-N 3.09Å; L672-S676 VanDerWaalsContact O-N 3.14Å
673	V	89	Confident	90.3	Very high	84 Å²	84	55 Å²	55	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-71.3	-42.2	176.6	-177.8	0	0	0	0	109.8	D670 I671 L675 S676 D677	D670-V673 WeakPolarHBondContact O-CB 3.32Å; D670-V673 PolarHBondContact O-N 3.08Å; I671-V673 VanDerWaalsContact C-N 3.31Å; I671-V673 PolarHBondContact O-N 3.48Å; V673-L675 VanDerWaalsContact C-N 3.32Å; V673-L675 PolarHBondContact O-N 2.87Å; V673-S676 PolarHBondContact O-N 2.79Å; V673-S676 PolarHBondContact O-OG 3.44Å; V673-D677 VanDerWaalsContact O-CG 3.31Å; V673-D677 PolarHBondContact O-N 3.28Å
674	M	91.6	Very high	90.5	Very high	57 Å²	57	54.8 Å²	54.8	28%	0.281	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-42.6	174.9	-65.4	-174	71	0	0	112	L660 A663 D670 I671 S676 D677 M678	L660-M674 HydrophobicContact CD2-CB 4.42Å; A663-M674 HydrophobicContact CB-CE 4.21Å; A663-M674 HydrophobicContact CB-SD 3.74Å; D670-M674 PolarHBondContact O-N 3.15Å; I671-M674 PolarHBondContact O-N 3.18Å; M674-S676 VanDerWaalsContact C-N 3.34Å; M674-S676 PolarHBondContact O-N 3.35Å; M674-D677 PolarHBondContact O-N 2.95Å; M674-M678 HydrophobicContact CE-CE 4.41Å; M674-M678 WeakPolarHBondContact O-CB 3.46Å; M674-M678 VanDerWaalsContact O-CG 3.23Å; M674-M678 WeakPolarHBondContact O-CG 3.41Å; M674-M678 PolarHBondContact O-N 3.12Å; M674-M678 VanDerWaalsContact O-N 3.14Å
675	L	92.2	Very high	90.5	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-34.2	177.7	-71	169.8	0	0	0	112.7	Q632 E636 R640 L660 F664 I671 V673 D677 I683	Q632-L675 HydrophobicContact CB-CD1 3.8Å; E636-L675 HydrophobicContact CG-CB 4.37Å; R640-L675 PolarHBondContact NH2-O 2.77Å; L660-L675 HydrophobicContact CD2-CD2 3.85Å; L660-L675 HydrophobicContact CD2-CG 4.44Å; F664-L675 HydrophobicContact CE2-CD2 4.42Å; F664-L675 HydrophobicContact CZ-CD1 4.23Å; F664-L675 HydrophobicContact CZ-CD2 4.4Å; I671-L675 HydrophobicContact CG1-CD1 4.48Å; I671-L675 WeakPolarHBondContact O-CB 3.49Å; I671-L675 VanDerWaalsContact O-CG 3.22Å; I671-L675 WeakPolarHBondContact O-CG 3.46Å; I671-L675 PolarHBondContact O-N 3.12Å; V673-L675 VanDerWaalsContact C-N 3.32Å; V673-L675 PolarHBondContact O-N 2.87Å; L675-D677 VanDerWaalsContact C-N 3.33Å; L675-I683 HydrophobicContact CB-CD1 4.24Å; L675-I683 HydrophobicContact CD2-CD1 3.82Å; L675-I683 HydrophobicContact CD2-CG1 3.88Å; L675-I683 HydrophobicContact CD2-CG2 4.04Å; L675-I683 WeakPolarHBondContact O-CD1 3.46Å
676	S	90.6	Very high	90.8	Very high	56 Å²	56	52.9 Å²	52.9	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-70.4	-31.5	176.9	59.6	0	0	0	0	113	L672 V673 M674	L672-S676 PolarHBondContact O-N 3.09Å; L672-S676 VanDerWaalsContact O-N 3.14Å; V673-S676 PolarHBondContact O-N 2.79Å; V673-S676 PolarHBondContact O-OG 3.44Å; M674-S676 VanDerWaalsContact C-N 3.34Å; M674-S676 PolarHBondContact O-N 3.35Å
677	D	90.3	Very high	91.2	Very high	126 Å²	126	49 Å²	49	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-91.6	-20.7	-171.3	-66	-3.3	0	0	0	113.2	V673 M674 L675	V673-D677 VanDerWaalsContact O-CG 3.31Å; V673-D677 PolarHBondContact O-N 3.28Å; M674-D677 PolarHBondContact O-N 2.95Å; L675-D677 VanDerWaalsContact C-N 3.33Å
678	M	92.1	Very high	91.8	Very high	29 Å²	29	45.3 Å²	45.3	14%	0.143	24%	0.24	C	C	.	.	S	Bend	trans	-84.6	160.3	-176	-76.4	-174.6	144.8	0	0	114.1	R640 D656 A659 L660 M674	R640-M678 PolarHBondContact NH1-O 3.22Å; R640-M678 PolarHBondContact NH2-O 3.29Å; D656-M678 HydrophobicContact CB-CE 3.77Å; D656-M678 HydrophobicContact CB-SD 4.37Å; A659-M678 HydrophobicContact CB-CE 3.95Å; L660-M678 HydrophobicContact CD1-SD 3.65Å; L660-M678 HydrophobicContact CD2-SD 3.47Å; L660-M678 WeakPolarHBondContact CD2-SD 3.44Å; L660-M678 HydrophobicContact CG-CE 4.34Å; L660-M678 HydrophobicContact CG-SD 3.31Å; L660-M678 WeakPolarHBondContact CG-SD 3.47Å; M674-M678 HydrophobicContact CE-CE 4.41Å; M674-M678 WeakPolarHBondContact O-CB 3.46Å; M674-M678 VanDerWaalsContact O-CG 3.23Å; M674-M678 WeakPolarHBondContact O-CG 3.41Å; M674-M678 PolarHBondContact O-N 3.12Å; M674-M678 VanDerWaalsContact O-N 3.14Å
679	D	92.4	Very high	92.4	Very high	72 Å²	72	43.2 Å²	43.2	39%	0.385	23%	0.226	S	C	.	.			trans	-63.3	142.9	174.1	-174.1	-100.1	0	0	0	111.7	N681 A682 I683	D679-N681 VanDerWaalsContact C-N 3.29Å; D679-N681 PolarHBondContact O-N 3.25Å; D679-N681 WeakPolarHBondContact OD1-CA 3.29Å; D679-N681 WeakPolarHBondContact OD1-CB 3.47Å; D679-N681 PolarHBondContact OD1-N 2.73Å; D679-N681 PolarHBondContact OD1-ND2 3.34Å; D679-A682 HydrophobicContact CB-CB 4.49Å; D679-A682 WeakPolarHBondContact O-CB 3.49Å; D679-A682 PolarHBondContact O-N 3.46Å; D679-A682 VanDerWaalsContact O-N 3.14Å; D679-I683 PolarHBondContact O-N 3.41Å
680	I	95.8	Very high	93.2	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-31.4	-176.3	-165.4	72.2	0	0	0	112.5	E636 V637 R640 E644 I647 A682 I683 A684	E636-I680 HydrophobicContact CG-CD1 4.49Å; V637-I680 HydrophobicContact CB-CD1 4.41Å; V637-I680 HydrophobicContact CG2-CD1 3.95Å; V637-I680 HydrophobicContact CG2-CG1 4.29Å; R640-I680 HydrophobicContact CG-CD1 3.98Å; E644-I680 HydrophobicContact CB-CG2 4.13Å; E644-I680 HydrophobicContact CG-CG2 3.76Å; I647-I680 HydrophobicContact CD1-CG1 3.97Å; I647-I680 HydrophobicContact CD1-CG2 4.17Å; I680-A682 VanDerWaalsContact C-N 3.26Å; I680-A682 PolarHBondContact O-N 3.48Å; I680-I683 HydrophobicContact CD1-CD1 4.33Å; I680-I683 PolarHBondContact O-N 3.28Å; I680-I683 VanDerWaalsContact O-N 3.16Å; I680-A684 PolarHBondContact O-N 3.48Å
681	N	94.7	Very high	93.6	Very high	13 Å²	13	28.8 Å²	28.8	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-26.6	176.7	-59.8	-64	0	0	0	111.3	D679 G685	D679-N681 VanDerWaalsContact C-N 3.29Å; D679-N681 PolarHBondContact O-N 3.25Å; D679-N681 WeakPolarHBondContact OD1-CA 3.29Å; D679-N681 WeakPolarHBondContact OD1-CB 3.47Å; D679-N681 PolarHBondContact OD1-N 2.73Å; D679-N681 PolarHBondContact OD1-ND2 3.34Å; N681-G685 PolarHBondContact O-N 3.19Å
682	A	95.4	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.1	-37.8	170.9	0	0	0	0	0	111.7	D656 I657 D679 I680 G685 T686	D656-A682 HydrophobicContact CB-CB 3.76Å; I657-A682 HydrophobicContact CG1-CB 4.15Å; I657-A682 WeakPolarHBondContact CG1-O 3.48Å; D679-A682 HydrophobicContact CB-CB 4.49Å; D679-A682 WeakPolarHBondContact O-CB 3.49Å; D679-A682 PolarHBondContact O-N 3.46Å; D679-A682 VanDerWaalsContact O-N 3.14Å; I680-A682 VanDerWaalsContact C-N 3.26Å; I680-A682 PolarHBondContact O-N 3.48Å; A682-G685 PolarHBondContact O-N 2.94Å; A682-T686 WeakPolarHBondContact O-CB 3.28Å; A682-T686 PolarHBondContact O-N 3.18Å; A682-T686 PolarHBondContact O-OG1 3.11Å
683	I	97.4	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-46.4	176	-60.1	178.1	0	0	0	110.8	C633 E636 V637 L660 L675 D679 I680 G685 T686 L687	C633-I683 HydrophobicContact CB-CG2 3.84Å; E636-I683 HydrophobicContact CB-CD1 4.32Å; E636-I683 HydrophobicContact CG-CD1 3.66Å; V637-I683 HydrophobicContact CG2-CG2 4.32Å; L660-I683 HydrophobicContact CD1-CG1 4.03Å; L675-I683 HydrophobicContact CB-CD1 4.24Å; L675-I683 HydrophobicContact CD2-CD1 3.82Å; L675-I683 HydrophobicContact CD2-CG1 3.88Å; L675-I683 HydrophobicContact CD2-CG2 4.04Å; L675-I683 WeakPolarHBondContact O-CD1 3.46Å; D679-I683 PolarHBondContact O-N 3.41Å; I680-I683 HydrophobicContact CD1-CD1 4.33Å; I680-I683 PolarHBondContact O-N 3.28Å; I680-I683 VanDerWaalsContact O-N 3.16Å; I683-G685 VanDerWaalsContact C-N 3.29Å; I683-G685 PolarHBondContact O-N 3.44Å; I683-T686 WeakPolarHBondContact O-CB 3.39Å; I683-T686 PolarHBondContact O-N 3.21Å; I683-T686 VanDerWaalsContact O-N 3.15Å; I683-L687 PolarHBondContact O-N 3.06Å
684	A	97.2	Very high	93.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-43.2	172.5	0	0	0	0	0	111.5	I647 Y648 I680 T686 L687 K688	I647-A684 HydrophobicContact CD1-CB 3.8Å; I647-A684 HydrophobicContact CG1-CB 4.49Å; Y648-A684 HydrophobicContact CD1-CB 3.6Å; Y648-A684 HydrophobicContact CE1-CB 3.63Å; Y648-A684 HydrophobicContact CG-CB 4.29Å; I680-A684 PolarHBondContact O-N 3.48Å; A684-T686 PolarHBondContact O-N 2.88Å; A684-L687 PolarHBondContact O-N 3.44Å; A684-K688 WeakPolarHBondContact O-CG 3.25Å; A684-K688 PolarHBondContact O-N 3.07Å; A684-K688 VanDerWaalsContact O-N 3.08Å
685	G	95.6	Very high	93.8	Very high	8 Å²	8	23.9 Å²	23.9	8%	0.082	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-41.4	173.8	0	0	0	0	0	113.2	N681 A682 I683 K688 L689	N681-G685 PolarHBondContact O-N 3.19Å; A682-G685 PolarHBondContact O-N 2.94Å; I683-G685 VanDerWaalsContact C-N 3.29Å; I683-G685 PolarHBondContact O-N 3.44Å; G685-K688 PolarHBondContact O-N 3.2Å; G685-L689 WeakPolarHBondContact O-CB 3.39Å; G685-L689 PolarHBondContact O-N 2.7Å
686	T	96.9	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-41.2	177.1	-57.8	0	0	0	0	111.7	F611 I629 L660 F664 A682 I683 A684 L689 Y690	F611-T686 HydrophobicContact CZ-CG2 4.11Å; I629-T686 HydrophobicContact CD1-CG2 4.25Å; L660-T686 HydrophobicContact CB-CG2 3.84Å; L660-T686 WeakPolarHBondContact CB-OG1 3.37Å; L660-T686 VanDerWaalsContact CD1-OG1 3.24Å; L660-T686 WeakPolarHBondContact CD1-OG1 3.49Å; F664-T686 HydrophobicContact CD2-CG2 4.13Å; F664-T686 HydrophobicContact CE2-CG2 4.17Å; A682-T686 WeakPolarHBondContact O-CB 3.28Å; A682-T686 PolarHBondContact O-N 3.18Å; A682-T686 PolarHBondContact O-OG1 3.11Å; I683-T686 WeakPolarHBondContact O-CB 3.39Å; I683-T686 PolarHBondContact O-N 3.21Å; I683-T686 VanDerWaalsContact O-N 3.15Å; A684-T686 PolarHBondContact O-N 2.88Å; T686-L689 PolarHBondContact O-N 3.24Å; T686-Y690 PolarHBondContact O-N 3.29Å
687	L	97.7	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.8	-177.4	59.5	0	0	0	111.7	V630 C633 I634 Y648 I683 A684 L689 Y690 F691 L741	V630-L687 HydrophobicContact CB-CD1 4.26Å; V630-L687 HydrophobicContact CG1-CD1 4.23Å; V630-L687 HydrophobicContact CG2-CD1 4.08Å; C633-L687 HydrophobicContact CB-CB 3.87Å; C633-L687 HydrophobicContact CB-CD1 4.23Å; C633-L687 HydrophobicContact CB-CD2 4.34Å; C633-L687 HydrophobicContact CB-CG 4.37Å; I634-L687 HydrophobicContact CG1-CD2 3.94Å; Y648-L687 HydrophobicContact CE1-CD2 4.02Å; I683-L687 PolarHBondContact O-N 3.06Å; A684-L687 PolarHBondContact O-N 3.44Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 2.67Å; L687-Y690 PolarHBondContact O-N 3.04Å; L687-F691 HydrophobicContact CD1-CD2 4.25Å; L687-F691 HydrophobicContact CD1-CE2 3.54Å; L687-F691 HydrophobicContact CD1-CZ 4.2Å; L687-F691 HydrophobicContact CG-CD2 4.33Å; L687-F691 HydrophobicContact CG-CE2 3.85Å; L687-F691 VanDerWaalsContact O-CD2 3.22Å; L687-F691 WeakPolarHBondContact O-CD2 3.23Å; L687-F691 PolarHBondContact O-N 3.43Å; L687-L741 HydrophobicContact CD2-CD1 4.4Å
688	K	94.9	Very high	93.9	Very high	40 Å²	40	18.9 Å²	18.9	17%	0.174	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-45.5	175.1	-69.6	-173.6	-61.1	175.9	0	111.3	Y648 A684 G685 Y690 F691 R692 V765 F766	Y648-K688 HydrophobicContact CD1-CD 4.42Å; Y648-K688 HydrophobicContact CD1-CG 4.25Å; Y648-K688 WeakPolarHBondContact O-CE 3.29Å; Y648-K688 PolarHBondContact O-NZ 3.48Å; A684-K688 WeakPolarHBondContact O-CG 3.25Å; A684-K688 PolarHBondContact O-N 3.07Å; A684-K688 VanDerWaalsContact O-N 3.08Å; G685-K688 PolarHBondContact O-N 3.2Å; K688-Y690 VanDerWaalsContact C-N 3.31Å; K688-Y690 PolarHBondContact O-N 3.32Å; K688-F691 PolarHBondContact O-N 3.25Å; K688-R692 WeakPolarHBondContact O-CB 3.46Å; K688-R692 PolarHBondContact O-N 2.97Å; K688-V765 HydrophobicContact CD-CG1 3.59Å; K688-F766 HydrophobicContact CG-CE1 4.17Å; K688-F766 HydrophobicContact CG-CZ 4Å
689	L	92.7	Very high	94.1	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-41	179.8	-176.7	62.6	0	0	0	111.7	F611 I657 K661 G685 T686 L687 F691 R692 E693	F611-L689 HydrophobicContact CD1-CG 4.43Å; F611-L689 HydrophobicContact CE1-CB 4.24Å; F611-L689 HydrophobicContact CE1-CD2 4.16Å; F611-L689 HydrophobicContact CE1-CG 3.9Å; I657-L689 HydrophobicContact CG2-CB 4.42Å; I657-L689 HydrophobicContact CG2-CD2 3.58Å; K661-L689 HydrophobicContact CD-CD2 4.04Å; G685-L689 WeakPolarHBondContact O-CB 3.39Å; G685-L689 PolarHBondContact O-N 2.7Å; T686-L689 PolarHBondContact O-N 3.24Å; L687-L689 VanDerWaalsContact C-N 3.33Å; L687-L689 PolarHBondContact O-N 2.67Å; L689-F691 PolarHBondContact O-N 3.24Å; L689-R692 VanDerWaalsContact CD1-NH2 3.3Å; L689-R692 PolarHBondContact O-N 2.84Å; L689-E693 HydrophobicContact CD1-CG 3.98Å; L689-E693 HydrophobicContact CG-CG 4.43Å; L689-E693 WeakPolarHBondContact O-CB 3.2Å; L689-E693 PolarHBondContact O-N 2.77Å
690	Y	95.9	Very high	94.1	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-57.4	-50.7	177.7	170.7	-102.7	0	0	0	111.8	F611 P627 I629 V630 T686 L687 K688 R692 E693 L694	F611-Y690 VanDerWaalsContact CE1-CA 3.48Å; P627-Y690 HydrophobicContact CG-CE1 4.35Å; P627-Y690 VanDerWaalsContact CG-OH 3.23Å; P627-Y690 WeakPolarHBondContact CG-OH 3.41Å; I629-Y690 HydrophobicContact CD1-CD2 4.07Å; I629-Y690 HydrophobicContact CD1-CG 4.16Å; I629-Y690 HydrophobicContact CG2-CD1 4.21Å; I629-Y690 HydrophobicContact CG2-CD2 3.74Å; I629-Y690 HydrophobicContact CG2-CE1 4.23Å; I629-Y690 HydrophobicContact CG2-CE2 3.75Å; I629-Y690 HydrophobicContact CG2-CG 3.97Å; V630-Y690 HydrophobicContact CG2-CD1 3.75Å; V630-Y690 HydrophobicContact CG2-CE1 3.56Å; T686-Y690 PolarHBondContact O-N 3.29Å; L687-Y690 PolarHBondContact O-N 3.04Å; K688-Y690 VanDerWaalsContact C-N 3.31Å; K688-Y690 PolarHBondContact O-N 3.32Å; Y690-R692 VanDerWaalsContact C-N 3.34Å; Y690-R692 PolarHBondContact O-N 3.49Å; Y690-E693 PolarHBondContact O-N 2.99Å; Y690-L694 HydrophobicContact CE1-CD2 4.2Å; Y690-L694 HydrophobicContact CE2-CD2 4.11Å; Y690-L694 PolarHBondContact O-N 3.48Å
691	F	95.3	Very high	93.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65	-37.8	178.6	-69.1	-62.3	0	0	0	112.7	R601 V630 L687 K688 L689 E693 L694 L698 T737 L741 F766 T769 L770	R601-F691 PolarHBondContact NH1-O 2.74Å; V630-F691 HydrophobicContact CG1-CZ 4.24Å; V630-F691 HydrophobicContact CG2-CE1 4.25Å; V630-F691 HydrophobicContact CG2-CZ 3.84Å; L687-F691 HydrophobicContact CD1-CD2 4.25Å; L687-F691 HydrophobicContact CD1-CE2 3.54Å; L687-F691 HydrophobicContact CD1-CZ 4.2Å; L687-F691 HydrophobicContact CG-CD2 4.33Å; L687-F691 HydrophobicContact CG-CE2 3.85Å; L687-F691 VanDerWaalsContact O-CD2 3.22Å; L687-F691 WeakPolarHBondContact O-CD2 3.23Å; L687-F691 PolarHBondContact O-N 3.43Å; K688-F691 PolarHBondContact O-N 3.25Å; L689-F691 PolarHBondContact O-N 3.24Å; F691-E693 VanDerWaalsContact C-N 3.34Å; F691-E693 PolarHBondContact O-N 2.91Å; F691-L694 HydrophobicContact CD1-CD1 4.06Å; F691-L694 PolarHBondContact O-N 3.42Å; F691-L698 HydrophobicContact CD1-CB 4.4Å; F691-L698 HydrophobicContact CD1-CD2 4.13Å; F691-L698 HydrophobicContact CE1-CD1 4.3Å; F691-L698 HydrophobicContact CE1-CD2 3.73Å; F691-L698 HydrophobicContact CE1-CG 4.48Å; F691-L698 HydrophobicContact CZ-CD2 4.48Å; F691-T737 HydrophobicContact CE1-CG2 3.78Å; F691-T737 HydrophobicContact CZ-CG2 4.05Å; F691-L741 HydrophobicContact CE2-CD1 4.26Å; F691-L741 HydrophobicContact CE2-CD2 3.87Å; F691-L741 HydrophobicContact CZ-CD2 3.96Å; F691-F766 HydrophobicContact CD2-CE1 4.26Å; F691-F766 HydrophobicContact CE2-CE1 4.46Å; F691-T769 HydrophobicContact CB-CG2 3.67Å; F691-L770 HydrophobicContact CB-CD2 4.08Å; F691-L770 HydrophobicContact CD1-CD2 3.9Å; F691-L770 HydrophobicContact CD2-CD2 4.25Å; F691-L770 HydrophobicContact CE1-CD2 4.41Å; F691-L770 HydrophobicContact CG-CD2 3.82Å
692	R	89.5	Confident	93.5	Very high	55 Å²	55	24.2 Å²	24.2	21%	0.208	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-38.5	177.3	-171.6	169.9	70.5	-172.4	9.4	112.2	E522 R601 K688 L689 Y690	E522-R692 IonicContact OE1-CZ 3.99Å; E522-R692 VanDerWaalsContact OE1-CZ 3.24Å; E522-R692 IonicContact OE1-NH1 2.55Å; E522-R692 PolarHBondContact OE1-NH1 2.92Å; E522-R692 IonicContact OE1-NH2 2.63Å; E522-R692 PolarHBondContact OE1-NH2 3.42Å; E522-R692 IonicContact OE2-NH2 2.78Å; R601-R692 PolarHBondContact NH1-O 3.46Å; K688-R692 WeakPolarHBondContact O-CB 3.46Å; K688-R692 PolarHBondContact O-N 2.97Å; L689-R692 VanDerWaalsContact CD1-NH2 3.3Å; L689-R692 PolarHBondContact O-N 2.84Å; Y690-R692 VanDerWaalsContact C-N 3.34Å; Y690-R692 PolarHBondContact O-N 3.49Å
693	E	90.4	Very high	93.4	Very high	54 Å²	54	24.6 Å²	24.6	25%	0.252	11%	0.112	S	C	.	.	H	α-helix	trans	-91.1	0.7	-178.4	-70.9	-167.6	-179.2	0	0	114.8	F611 G612 K661 L689 Y690 F691	F611-E693 HydrophobicContact CD1-CB 4.3Å; F611-E693 WeakPolarHBondContact CD1-OE2 3.5Å; G612-E693 VanDerWaalsContact CA-O 3.25Å; G612-E693 WeakPolarHBondContact CA-O 3.43Å; G612-E693 PolarHBondContact N-O 3.37Å; K661-E693 WeakPolarHBondContact CE-OE2 3.22Å; K661-E693 IonicContact NZ-OE1 2.77Å; K661-E693 PolarHBondContact NZ-OE1 2.96Å; K661-E693 IonicContact NZ-OE2 3.54Å; K661-E693 PolarHBondContact NZ-OE2 3.35Å; L689-E693 HydrophobicContact CD1-CG 3.98Å; L689-E693 HydrophobicContact CG-CG 4.43Å; L689-E693 WeakPolarHBondContact O-CB 3.2Å; L689-E693 PolarHBondContact O-N 2.77Å; Y690-E693 PolarHBondContact O-N 2.99Å; F691-E693 VanDerWaalsContact C-N 3.34Å; F691-E693 PolarHBondContact O-N 2.91Å
694	L	91.9	Very high	93.1	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	11%	0.114	C	C	.	.	S	Bend	trans	-55.3	143.2	171.3	-72.6	174.1	0	0	0	110.1	R601 I615 Y690 F691 E696	R601-L694 WeakPolarHBondContact CD-O 3.4Å; R601-L694 WeakPolarHBondContact CG-O 3.46Å; R601-L694 PolarHBondContact NH1-O 3.27Å; I615-L694 HydrophobicContact CB-CD2 4.35Å; Y690-L694 HydrophobicContact CE1-CD2 4.2Å; Y690-L694 HydrophobicContact CE2-CD2 4.11Å; Y690-L694 PolarHBondContact O-N 3.48Å; F691-L694 HydrophobicContact CD1-CD1 4.06Å; F691-L694 PolarHBondContact O-N 3.42Å; L694-E696 WeakPolarHBondContact CB-O 3.43Å; L694-E696 PolarHBondContact O-N 3.15Å; L694-E696 VanDerWaalsContact O-N 3.11Å
695	P	90.1	Very high	92.8	Very high	30 Å²	30	27.3 Å²	27.3	20%	0.195	13%	0.128	C	C	.	.	S	Bend	trans	-59.5	-23.2	176.2	-28.5	37.6	0	0	0	114.5	G612 V613 K614	G612-P695 VanDerWaalsContact O-CG 3.22Å; G612-P695 WeakPolarHBondContact O-CG 3.49Å; V613-P695 WeakPolarHBondContact O-CD 3.4Å; K614-P695 HydrophobicContact CG-CB 4.39Å; K614-P695 HydrophobicContact CG-CG 4.25Å
696	E	89.1	Confident	92.7	Very high	79 Å²	79	28.5 Å²	28.5	37%	0.369	14%	0.137	S	C	.	.	S	Bend	trans	-139.2	143.2	176.9	179.8	-179.6	-162	0	0	107.3	L694 T700 D701	L694-E696 WeakPolarHBondContact CB-O 3.43Å; L694-E696 PolarHBondContact O-N 3.15Å; L694-E696 VanDerWaalsContact O-N 3.11Å; E696-T700 WeakPolarHBondContact OE1-CA 3.45Å; E696-T700 WeakPolarHBondContact OE1-CB 3.47Å; E696-D701 PolarHBondContact OE1-N 3.42Å
697	P	91.9	Very high	92.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.137	C	C	.	.			trans	-54.2	152.8	174.6	-20.5	30.4	0	0	0	112.5	L699 T700 D701 L770 R772	P697-L699 PolarHBondContact O-N 3.33Å; P697-T700 WeakPolarHBondContact O-CA 3.34Å; P697-T700 PolarHBondContact O-N 3.39Å; P697-D701 WeakPolarHBondContact CD-OD1 3.2Å; P697-D701 VanDerWaalsContact CG-OD1 3.29Å; P697-D701 WeakPolarHBondContact CG-OD1 3.41Å; P697-L770 VanDerWaalsContact CB-O 3.24Å; P697-L770 WeakPolarHBondContact CB-O 3.48Å; P697-R772 HydrophobicContact CG-CB 4.16Å
698	L	95.3	Very high	92.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.5	-178.4	-173.7	66.1	0	0	0	111.7	I615 F691 T700 N734 T737 F738 L770	I615-L698 HydrophobicContact CD1-CD1 3.85Å; F691-L698 HydrophobicContact CD1-CB 4.4Å; F691-L698 HydrophobicContact CD1-CD2 4.13Å; F691-L698 HydrophobicContact CE1-CD1 4.3Å; F691-L698 HydrophobicContact CE1-CD2 3.73Å; F691-L698 HydrophobicContact CE1-CG 4.48Å; F691-L698 HydrophobicContact CZ-CD2 4.48Å; L698-T700 VanDerWaalsContact C-N 3.26Å; L698-T700 PolarHBondContact O-N 3.33Å; L698-N734 HydrophobicContact CD1-CB 4.25Å; L698-N734 WeakPolarHBondContact O-CB 3.14Å; L698-N734 PolarHBondContact O-ND2 2.96Å; L698-T737 HydrophobicContact CD1-CG2 4.11Å; L698-T737 HydrophobicContact CD2-CG2 4.37Å; L698-F738 HydrophobicContact CD2-CB 3.85Å; L698-F738 HydrophobicContact CD2-CD2 4.05Å; L698-F738 HydrophobicContact CD2-CG 4.43Å; L698-F738 HydrophobicContact CG-CB 4.39Å; L698-L770 HydrophobicContact CB-CD2 3.91Å; L698-L770 HydrophobicContact CD2-CD2 3.78Å; L698-L770 PolarHBondContact N-O 3.43Å
699	L	95.1	Very high	92	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	11.3	177	-69.4	169.2	0	0	0	113.8	P697 F707 L730 F738 L770 L771	P697-L699 PolarHBondContact O-N 3.33Å; L699-F707 HydrophobicContact CB-CE2 4.02Å; L699-F707 HydrophobicContact CD2-CE2 4.26Å; L699-F707 HydrophobicContact CD2-CZ 3.94Å; L699-L730 HydrophobicContact CD2-CD1 3.59Å; L699-L730 HydrophobicContact CD2-CD2 4.12Å; L699-L730 HydrophobicContact CD2-CG 4.47Å; L699-F738 HydrophobicContact CD1-CE2 4.02Å; L699-F738 HydrophobicContact CD1-CZ 4.12Å; L699-F738 HydrophobicContact CD2-CD1 4.06Å; L699-F738 HydrophobicContact CD2-CD2 4.29Å; L699-F738 HydrophobicContact CD2-CE1 4.04Å; L699-F738 HydrophobicContact CD2-CE2 4.28Å; L699-F738 HydrophobicContact CD2-CG 4.18Å; L699-F738 HydrophobicContact CD2-CZ 4.16Å; L699-F738 HydrophobicContact CG-CE2 4.43Å; L699-L770 HydrophobicContact CD1-CB 4.3Å; L699-L770 PolarHBondContact N-O 3.05Å; L699-L771 HydrophobicContact CB-CD2 4Å; L699-L771 HydrophobicContact CB-CG 3.98Å; L699-L771 HydrophobicContact CD1-CD1 3.42Å; L699-L771 VanDerWaalsContact CD1-CD1 3.42Å; L699-L771 HydrophobicContact CD1-CD2 3.82Å; L699-L771 HydrophobicContact CD1-CG 3.45Å; L699-L771 VanDerWaalsContact CD1-CG 3.45Å; L699-L771 HydrophobicContact CG-CG 4.3Å
700	T	92.7	Very high	91.9	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.037	17%	0.166	C	C	.	.			trans	65.3	143.3	173.5	71.8	0	0	0	0	115.4	E696 P697 L698 R702 L703 Y704 L730 P731	E696-T700 WeakPolarHBondContact OE1-CA 3.45Å; E696-T700 WeakPolarHBondContact OE1-CB 3.47Å; P697-T700 WeakPolarHBondContact O-CA 3.34Å; P697-T700 PolarHBondContact O-N 3.39Å; L698-T700 VanDerWaalsContact C-N 3.26Å; L698-T700 PolarHBondContact O-N 3.33Å; T700-R702 VanDerWaalsContact C-N 3.27Å; T700-R702 PolarHBondContact O-N 2.89Å; T700-L703 WeakPolarHBondContact OG1-CB 3.32Å; T700-L703 WeakPolarHBondContact OG1-CG 3.38Å; T700-L703 PolarHBondContact OG1-N 2.96Å; T700-Y704 PolarHBondContact O-N 2.99Å; T700-L730 HydrophobicContact CG2-CD2 4.05Å; T700-P731 HydrophobicContact CG2-CG 4.44Å
701	D	88.1	Confident	91.8	Very high	51 Å²	51	35.1 Å²	35.1	27%	0.273	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.8	176.2	-65.4	-38.3	0	0	0	110.2	E696 P697 L703 Y704	E696-D701 PolarHBondContact OE1-N 3.42Å; P697-D701 WeakPolarHBondContact CD-OD1 3.2Å; P697-D701 VanDerWaalsContact CG-OD1 3.29Å; P697-D701 WeakPolarHBondContact CG-OD1 3.41Å; D701-L703 VanDerWaalsContact C-N 3.33Å; D701-L703 PolarHBondContact O-N 3.24Å; D701-Y704 WeakPolarHBondContact O-CB 3.33Å; D701-Y704 PolarHBondContact O-N 3.43Å
702	R	91.3	Very high	91.5	Very high	172 Å²	172	38.7 Å²	38.7	65%	0.649	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.2	-177.7	-174.4	-176.5	66.3	86.1	-1.3	113.4	T700 S729	T700-R702 VanDerWaalsContact C-N 3.27Å; T700-R702 PolarHBondContact O-N 2.89Å; R702-S729 PolarHBondContact NH2-O 3.12Å
703	L	92.4	Very high	91.5	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.047	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.3	-177	-63.8	176.6	0	0	0	112.8	T700 D701 A706 F707 L726 L730	T700-L703 WeakPolarHBondContact OG1-CB 3.32Å; T700-L703 WeakPolarHBondContact OG1-CG 3.38Å; T700-L703 PolarHBondContact OG1-N 2.96Å; D701-L703 VanDerWaalsContact C-N 3.33Å; D701-L703 PolarHBondContact O-N 3.24Å; L703-A706 PolarHBondContact O-N 2.95Å; L703-A706 VanDerWaalsContact O-N 3.16Å; L703-F707 HydrophobicContact CB-CD2 3.88Å; L703-F707 HydrophobicContact CB-CE2 3.59Å; L703-F707 HydrophobicContact CD1-CE2 4.31Å; L703-F707 WeakPolarHBondContact O-CD2 3.45Å; L703-F707 PolarHBondContact O-N 3.48Å; L703-L726 HydrophobicContact CD2-CD2 4.18Å; L703-L730 HydrophobicContact CD1-CD2 3.76Å; L703-L730 HydrophobicContact CD1-CG 4.15Å
704	Y	91.4	Very high	91.5	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-52.8	-51.8	-175.9	176.3	-88.5	0	0	0	113.5	T700 D701 A706 F707 M708 L771 R772 P773 Q798	T700-Y704 PolarHBondContact O-N 2.99Å; D701-Y704 WeakPolarHBondContact O-CB 3.33Å; D701-Y704 PolarHBondContact O-N 3.43Å; Y704-A706 VanDerWaalsContact C-N 3.28Å; Y704-A706 PolarHBondContact O-N 3.49Å; Y704-F707 WeakPolarHBondContact O-CB 3.37Å; Y704-F707 PolarHBondContact O-N 3.09Å; Y704-F707 VanDerWaalsContact O-N 3.12Å; Y704-M708 HydrophobicContact CD1-CG 4.16Å; Y704-M708 HydrophobicContact CD2-CE 3.87Å; Y704-M708 HydrophobicContact CE1-CG 3.69Å; Y704-M708 HydrophobicContact CE1-SD 4.34Å; Y704-M708 HydrophobicContact CE2-CE 3.49Å; Y704-M708 VanDerWaalsContact CE2-CE 3.49Å; Y704-M708 HydrophobicContact CE2-CG 4.31Å; Y704-M708 HydrophobicContact CE2-SD 4.06Å; Y704-M708 WeakPolarHBondContact O-CG 3.29Å; Y704-M708 PolarHBondContact O-N 3.41Å; Y704-M708 VanDerWaalsContact O-N 3.12Å; Y704-L771 HydrophobicContact CD2-CB 4.22Å; Y704-L771 HydrophobicContact CD2-CD2 4.37Å; Y704-L771 HydrophobicContact CE2-CB 4.24Å; Y704-R772 WeakPolarHBondContact CD2-O 3.22Å; Y704-R772 VanDerWaalsContact CE2-C 3.48Å; Y704-P773 HydrophobicContact CD1-CB 4.34Å; Y704-P773 HydrophobicContact CE1-CB 3.79Å; Y704-Q798 HydrophobicContact CE2-CG 4.07Å; Y704-Q798 PolarHBondContact OH-NE2 3.29Å; Y704-Q798 VanDerWaalsContact OH-NE2 3.13Å
705	P	90.9	Very high	91.6	Very high	44 Å²	44	46.2 Å²	46.2	29%	0.286	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-40.4	-179.9	-24	35	0	0	0	112.4	F707 M708 E709	P705-F707 VanDerWaalsContact C-N 3.35Å; P705-F707 PolarHBondContact O-N 3.38Å; P705-M708 PolarHBondContact O-N 3.04Å; P705-E709 WeakPolarHBondContact O-CG 3.18Å; P705-E709 PolarHBondContact O-N 3.35Å
706	A	92.4	Very high	91.6	Very high	33 Å²	33	49.4 Å²	49.4	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-68.6	-32.6	-180	0	0	0	0	0	112.6	L703 Y704 G710 L726	L703-A706 PolarHBondContact O-N 2.95Å; L703-A706 VanDerWaalsContact O-N 3.16Å; Y704-A706 VanDerWaalsContact C-N 3.28Å; Y704-A706 PolarHBondContact O-N 3.49Å; A706-G710 WeakPolarHBondContact O-CA 3.33Å; A706-G710 PolarHBondContact O-N 3Å; A706-L726 HydrophobicContact CB-CD1 4.25Å; A706-L726 HydrophobicContact CB-CD2 3.57Å; A706-L726 WeakPolarHBondContact O-CD1 3.4Å
707	F	93.9	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-43.1	170.6	-79.1	-66.5	0	0	0	111.9	L699 L703 Y704 P705 G710 I711 M723 L726 L771 V801 Y805	L699-F707 HydrophobicContact CB-CE2 4.02Å; L699-F707 HydrophobicContact CD2-CE2 4.26Å; L699-F707 HydrophobicContact CD2-CZ 3.94Å; L703-F707 HydrophobicContact CB-CD2 3.88Å; L703-F707 HydrophobicContact CB-CE2 3.59Å; L703-F707 HydrophobicContact CD1-CE2 4.31Å; L703-F707 WeakPolarHBondContact O-CD2 3.45Å; L703-F707 PolarHBondContact O-N 3.48Å; Y704-F707 WeakPolarHBondContact O-CB 3.37Å; Y704-F707 PolarHBondContact O-N 3.09Å; Y704-F707 VanDerWaalsContact O-N 3.12Å; P705-F707 VanDerWaalsContact C-N 3.35Å; P705-F707 PolarHBondContact O-N 3.38Å; F707-G710 PolarHBondContact O-N 3.35Å; F707-I711 WeakPolarHBondContact O-CG2 3.5Å; F707-I711 PolarHBondContact O-N 3.4Å; F707-M723 HydrophobicContact CD1-CE 4.26Å; F707-M723 HydrophobicContact CD1-SD 4.44Å; F707-L726 HydrophobicContact CB-CD1 4.49Å; F707-L726 HydrophobicContact CD1-CB 4.09Å; F707-L726 HydrophobicContact CD1-CD1 3.64Å; F707-L726 HydrophobicContact CD1-CG 4.48Å; F707-L726 HydrophobicContact CE1-CB 3.53Å; F707-L726 HydrophobicContact CE1-CD1 3.99Å; F707-L726 HydrophobicContact CE1-CG 4.38Å; F707-L726 HydrophobicContact CE2-CB 4.49Å; F707-L726 HydrophobicContact CG-CD1 4.03Å; F707-L726 HydrophobicContact CZ-CB 3.75Å; F707-L771 HydrophobicContact CB-CD2 4.08Å; F707-L771 HydrophobicContact CD2-CD2 4.04Å; F707-L771 HydrophobicContact CG-CD2 4.12Å; F707-V801 HydrophobicContact CB-CG1 4.32Å; F707-V801 HydrophobicContact CB-CG2 4.09Å; F707-V801 HydrophobicContact CD1-CG1 3.83Å; F707-V801 HydrophobicContact CE1-CG1 4.47Å; F707-V801 HydrophobicContact CG-CG1 4.25Å; F707-Y805 HydrophobicContact CE1-CE2 4.02Å; F707-Y805 WeakPolarHBondContact CE1-OH 3.4Å
708	M	91.1	Very high	91.5	Very high	29 Å²	29	49.8 Å²	49.8	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-43.1	178.6	-59	-57.7	115.4	0	0	111.6	Y704 P705 I711 A712 L771 A797 Q798 V801	Y704-M708 HydrophobicContact CD1-CG 4.16Å; Y704-M708 HydrophobicContact CD2-CE 3.87Å; Y704-M708 HydrophobicContact CE1-CG 3.69Å; Y704-M708 HydrophobicContact CE1-SD 4.34Å; Y704-M708 HydrophobicContact CE2-CE 3.49Å; Y704-M708 VanDerWaalsContact CE2-CE 3.49Å; Y704-M708 HydrophobicContact CE2-CG 4.31Å; Y704-M708 HydrophobicContact CE2-SD 4.06Å; Y704-M708 WeakPolarHBondContact O-CG 3.29Å; Y704-M708 PolarHBondContact O-N 3.41Å; Y704-M708 VanDerWaalsContact O-N 3.12Å; P705-M708 PolarHBondContact O-N 3.04Å; M708-I711 WeakPolarHBondContact O-CG2 3.25Å; M708-A712 WeakPolarHBondContact O-CB 3.43Å; M708-A712 PolarHBondContact O-N 3.01Å; M708-L771 HydrophobicContact CE-CD2 3.89Å; M708-A797 HydrophobicContact SD-CB 3.46Å; M708-A797 WeakPolarHBondContact SD-CB 3.28Å; M708-Q798 HydrophobicContact CE-CG 3.99Å; M708-Q798 HydrophobicContact SD-CG 4.46Å; M708-V801 HydrophobicContact CE-CG2 4.16Å
709	E	90.5	Very high	91.4	Very high	141 Å²	141	52.1 Å²	52.1	66%	0.659	30%	0.302	S	S	*	.	H	α-helix	trans	-68.1	-42.2	175.6	-70.6	174.6	-170.3	0	0	111.8	P705 A712 L713	P705-E709 WeakPolarHBondContact O-CG 3.18Å; P705-E709 PolarHBondContact O-N 3.35Å; E709-A712 PolarHBondContact O-N 3.33Å; E709-L713 PolarHBondContact O-N 3.21Å
710	G	91.6	Very high	91.1	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-44.1	-178.8	0	0	0	0	0	113	A706 F707 A712 L713	A706-G710 WeakPolarHBondContact O-CA 3.33Å; A706-G710 PolarHBondContact O-N 3Å; F707-G710 PolarHBondContact O-N 3.35Å; G710-A712 VanDerWaalsContact C-N 3.26Å; G710-A712 PolarHBondContact O-N 3.35Å; G710-L713 WeakPolarHBondContact O-CB 3.18Å; G710-L713 WeakPolarHBondContact O-CG 3.45Å; G710-L713 PolarHBondContact O-N 2.85Å
711	I	92	Very high	90.9	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.072	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-27.9	178.8	-164.6	59.2	0	0	0	112.3	F707 M708 L713 K719 M723 Q800 V801 Y804	F707-I711 WeakPolarHBondContact O-CG2 3.5Å; F707-I711 PolarHBondContact O-N 3.4Å; M708-I711 WeakPolarHBondContact O-CG2 3.25Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.31Å; I711-K719 HydrophobicContact CD1-CD 4.41Å; I711-K719 VanDerWaalsContact O-CE 3.26Å; I711-K719 WeakPolarHBondContact O-CE 3.48Å; I711-K719 PolarHBondContact O-NZ 3.25Å; I711-M723 HydrophobicContact CD1-CE 4.45Å; I711-Q800 HydrophobicContact CD1-CB 4.3Å; I711-Q800 HydrophobicContact CG1-CB 3.7Å; I711-V801 HydrophobicContact CB-CG2 3.83Å; I711-V801 HydrophobicContact CG1-CG2 4.25Å; I711-V801 HydrophobicContact CG2-CG2 3.83Å; I711-Y804 HydrophobicContact CD1-CD2 4.32Å; I711-Y804 HydrophobicContact CD1-CG 4.29Å
712	A	89.6	Confident	91.2	Very high	75 Å²	75	61 Å²	61	62%	0.62	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.5	178.6	0	0	0	0	0	114	M708 E709 G710 S714	M708-A712 WeakPolarHBondContact O-CB 3.43Å; M708-A712 PolarHBondContact O-N 3.01Å; E709-A712 PolarHBondContact O-N 3.33Å; G710-A712 VanDerWaalsContact C-N 3.26Å; G710-A712 PolarHBondContact O-N 3.35Å; A712-S714 PolarHBondContact O-N 3.48Å
713	L	89.8	Confident	91.3	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.335	32%	0.318	S	S	.	.			trans	-60.3	134.1	177.4	-69.6	172.6	0	0	0	111.7	E709 G710 I711 A718 K719 C722	E709-L713 PolarHBondContact O-N 3.21Å; G710-L713 WeakPolarHBondContact O-CB 3.18Å; G710-L713 WeakPolarHBondContact O-CG 3.45Å; G710-L713 PolarHBondContact O-N 2.85Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.31Å; L713-A718 HydrophobicContact CD1-CB 4.32Å; L713-K719 HydrophobicContact CB-CB 4.12Å; L713-K719 WeakPolarHBondContact O-CE 3.36Å; L713-K719 PolarHBondContact O-NZ 3.41Å; L713-C722 HydrophobicContact CD1-CB 3.96Å
714	S	91.4	Very high	91.2	Very high	119 Å²	119	53.3 Å²	53.3	83%	0.832	32%	0.32	S	S	*	.	S	Bend	trans	-81.3	-31.3	177.7	-54.7	0	0	0	0	113	A712 P716	A712-S714 PolarHBondContact O-N 3.48Å; S714-P716 WeakPolarHBondContact O-CD 3.19Å
715	D	92.5	Very high	91.2	Very high	88 Å²	88	58.3 Å²	58.3	47%	0.471	34%	0.344	S	S	.	.			trans	-77.4	119.3	179.4	174.7	42.8	0	0	0	111	A717 A718 K719	D715-A717 VanDerWaalsContact C-N 3.33Å; D715-A717 PolarHBondContact O-N 2.89Å; D715-A718 HydrophobicContact CB-CB 4.01Å; D715-A718 PolarHBondContact O-N 3.17Å; D715-A718 WeakPolarHBondContact OD2-CB 3.37Å; D715-A718 PolarHBondContact OD2-N 3.26Å; D715-K719 WeakPolarHBondContact O-CB 3.02Å; D715-K719 PolarHBondContact O-N 3.44Å
716	P	90	Very high	91.3	Very high	97 Å²	97	56.6 Å²	56.6	63%	0.63	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-38.5	-178.3	-25.3	35.2	0	0	0	113.8	S714 K719 E720	S714-P716 WeakPolarHBondContact O-CD 3.19Å; P716-K719 PolarHBondContact O-N 3.33Å; P716-E720 WeakPolarHBondContact O-CB 3.14Å; P716-E720 PolarHBondContact O-N 2.61Å
717	A	90.1	Very high	91.3	Very high	50 Å²	50	55 Å²	55	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-71.4	-44.8	-177.7	0	0	0	0	0	111.6	D715 K719 E720 N721	D715-A717 VanDerWaalsContact C-N 3.33Å; D715-A717 PolarHBondContact O-N 2.89Å; A717-K719 VanDerWaalsContact C-N 3.33Å; A717-K719 PolarHBondContact O-N 3.21Å; A717-E720 PolarHBondContact O-N 3.21Å; A717-N721 WeakPolarHBondContact O-CB 3.22Å; A717-N721 PolarHBondContact O-N 3.06Å; A717-N721 PolarHBondContact O-ND2 3.39Å
718	A	90.3	Very high	91.1	Very high	38 Å²	38	58.5 Å²	58.5	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-41.2	172.7	0	0	0	0	0	112	L713 D715 N721 C722	L713-A718 HydrophobicContact CD1-CB 4.32Å; D715-A718 HydrophobicContact CB-CB 4.01Å; D715-A718 PolarHBondContact O-N 3.17Å; D715-A718 WeakPolarHBondContact OD2-CB 3.37Å; D715-A718 PolarHBondContact OD2-N 3.26Å; A718-N721 PolarHBondContact O-N 3.04Å; A718-C722 VanDerWaalsContact O-CB 3.24Å; A718-C722 WeakPolarHBondContact O-CB 3.5Å; A718-C722 PolarHBondContact O-N 2.9Å
719	K	91.4	Very high	91.2	Very high	49 Å²	49	58.9 Å²	58.9	21%	0.213	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-50.2	175	-177.9	175.1	-56.4	-165.4	0	111.4	I711 L713 D715 P716 A717 N721 C722 M723 Y804	I711-K719 HydrophobicContact CD1-CD 4.41Å; I711-K719 VanDerWaalsContact O-CE 3.26Å; I711-K719 WeakPolarHBondContact O-CE 3.48Å; I711-K719 PolarHBondContact O-NZ 3.25Å; L713-K719 HydrophobicContact CB-CB 4.12Å; L713-K719 WeakPolarHBondContact O-CE 3.36Å; L713-K719 PolarHBondContact O-NZ 3.41Å; D715-K719 WeakPolarHBondContact O-CB 3.02Å; D715-K719 PolarHBondContact O-N 3.44Å; P716-K719 PolarHBondContact O-N 3.33Å; A717-K719 VanDerWaalsContact C-N 3.33Å; A717-K719 PolarHBondContact O-N 3.21Å; K719-N721 PolarHBondContact O-N 3.36Å; K719-C722 PolarHBondContact O-N 3.19Å; K719-M723 HydrophobicContact CG-CG 4.08Å; K719-M723 VanDerWaalsContact O-CB 3.32Å; K719-M723 WeakPolarHBondContact O-CB 3.48Å; K719-M723 WeakPolarHBondContact O-CG 3.46Å; K719-M723 PolarHBondContact O-N 3.43Å; K719-Y804 HydrophobicContact CD-CD2 4.37Å; K719-Y804 HydrophobicContact CD-CE2 4.17Å; K719-Y804 HydrophobicContact CG-CE2 4.23Å
720	E	90.3	Very high	91.4	Very high	97 Å²	97	52.5 Å²	52.5	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-48.5	179	-175	-179.3	174.2	0	0	112.1	P716 A717 C722 M723 M724 Y804	P716-E720 WeakPolarHBondContact O-CB 3.14Å; P716-E720 PolarHBondContact O-N 2.61Å; A717-E720 PolarHBondContact O-N 3.21Å; E720-C722 PolarHBondContact O-N 3.47Å; E720-M723 PolarHBondContact O-N 2.65Å; E720-M724 HydrophobicContact CG-CG 4.35Å; E720-M724 VanDerWaalsContact O-CB 3.29Å; E720-M724 WeakPolarHBondContact O-CB 3.37Å; E720-M724 WeakPolarHBondContact O-CG 3.36Å; E720-M724 PolarHBondContact O-N 3.4Å; E720-Y804 VanDerWaalsContact CA-OH 3.28Å; E720-Y804 WeakPolarHBondContact CA-OH 3.45Å
721	N	88.6	Confident	91.6	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	33%	0.326	S	S	*	.	H	α-helix	trans	-59.4	-46.1	178	-74.8	-41.3	0	0	0	112.1	A717 A718 K719 H725	A717-N721 WeakPolarHBondContact O-CB 3.22Å; A717-N721 PolarHBondContact O-N 3.06Å; A717-N721 PolarHBondContact O-ND2 3.39Å; A718-N721 PolarHBondContact O-N 3.04Å; K719-N721 PolarHBondContact O-N 3.36Å; N721-H725 VanDerWaalsContact O-CB 3.28Å; N721-H725 WeakPolarHBondContact O-CB 3.25Å; N721-H725 PolarHBondContact O-N 3.17Å
722	C	93.1	Very high	91.6	Very high	41 Å²	41	58.8 Å²	58.8	28%	0.277	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-54.6	178.5	-176.7	0	0	0	0	111.5	L713 A718 K719 E720 M724 H725 L726	L713-C722 HydrophobicContact CD1-CB 3.96Å; A718-C722 VanDerWaalsContact O-CB 3.24Å; A718-C722 WeakPolarHBondContact O-CB 3.5Å; A718-C722 PolarHBondContact O-N 2.9Å; K719-C722 PolarHBondContact O-N 3.19Å; E720-C722 PolarHBondContact O-N 3.47Å; C722-M724 VanDerWaalsContact C-N 3.31Å; C722-M724 PolarHBondContact O-N 3.47Å; C722-H725 WeakPolarHBondContact O-CB 3.39Å; C722-H725 PolarHBondContact O-N 2.88Å; C722-H725 VanDerWaalsContact O-N 3.07Å; C722-L726 WeakPolarHBondContact O-CG 3.18Å; C722-L726 PolarHBondContact O-N 3.17Å
723	M	93.7	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-40.8	-178.3	-67	-60.5	-73.8	0	0	111.4	F707 I711 K719 E720 L726 L727 V801 Y804 Y805	F707-M723 HydrophobicContact CD1-CE 4.26Å; F707-M723 HydrophobicContact CD1-SD 4.44Å; I711-M723 HydrophobicContact CD1-CE 4.45Å; K719-M723 HydrophobicContact CG-CG 4.08Å; K719-M723 VanDerWaalsContact O-CB 3.32Å; K719-M723 WeakPolarHBondContact O-CB 3.48Å; K719-M723 WeakPolarHBondContact O-CG 3.46Å; K719-M723 PolarHBondContact O-N 3.43Å; E720-M723 PolarHBondContact O-N 2.65Å; M723-L726 PolarHBondContact O-N 3.11Å; M723-L726 HydrophobicContact SD-CD1 4.43Å; M723-L727 PolarHBondContact O-N 2.79Å; M723-L727 VanDerWaalsContact O-N 3.15Å; M723-V801 HydrophobicContact CE-CB 4.41Å; M723-V801 HydrophobicContact CE-CG1 4.01Å; M723-V801 HydrophobicContact CE-CG2 4.32Å; M723-Y804 HydrophobicContact CB-CD1 3.96Å; M723-Y804 HydrophobicContact CB-CE1 3.42Å; M723-Y804 VanDerWaalsContact CB-CE1 3.42Å; M723-Y804 HydrophobicContact CE-CD1 3.78Å; M723-Y804 HydrophobicContact CE-CE1 4.45Å; M723-Y804 HydrophobicContact CE-CG 4.2Å; M723-Y804 HydrophobicContact CG-CD1 4.03Å; M723-Y804 HydrophobicContact CG-CE1 3.81Å; M723-Y805 VanDerWaalsContact C-OH 3.31Å; M723-Y805 HydrophobicContact CB-CE1 4.33Å; M723-Y805 HydrophobicContact CE-CD2 4.43Å; M723-Y805 HydrophobicContact CE-CE2 3.62Å; M723-Y805 PolarHBondContact O-OH 3.25Å
724	M	90.9	Very high	92.1	Very high	19 Å²	19	53.4 Å²	53.4	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-32.1	177.1	-66.8	-58.1	-70.1	0	0	112.7	E720 C722 L727 R728 I811 L816	E720-M724 HydrophobicContact CG-CG 4.35Å; E720-M724 VanDerWaalsContact O-CB 3.29Å; E720-M724 WeakPolarHBondContact O-CB 3.37Å; E720-M724 WeakPolarHBondContact O-CG 3.36Å; E720-M724 PolarHBondContact O-N 3.4Å; C722-M724 VanDerWaalsContact C-N 3.31Å; C722-M724 PolarHBondContact O-N 3.47Å; M724-L727 HydrophobicContact SD-CD2 4.45Å; M724-R728 VanDerWaalsContact C-NH1 3.32Å; M724-R728 WeakPolarHBondContact O-CG 3.19Å; M724-R728 PolarHBondContact O-N 3.06Å; M724-R728 PolarHBondContact O-NH1 3.08Å; M724-I811 HydrophobicContact CE-CD1 4.04Å; M724-I811 HydrophobicContact CE-CG1 4.43Å; M724-I811 HydrophobicContact CE-CG2 4.08Å; M724-I811 HydrophobicContact SD-CD1 3.95Å; M724-L816 HydrophobicContact CE-CD2 3.73Å
725	H	91.1	Very high	92.3	Very high	117 Å²	117	48.1 Å²	48.1	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-42	173.1	179.2	-90.5	0	0	0	112	N721 C722 L727 R728 S729	N721-H725 VanDerWaalsContact O-CB 3.28Å; N721-H725 WeakPolarHBondContact O-CB 3.25Å; N721-H725 PolarHBondContact O-N 3.17Å; C722-H725 WeakPolarHBondContact O-CB 3.39Å; C722-H725 PolarHBondContact O-N 2.88Å; C722-H725 VanDerWaalsContact O-N 3.07Å; H725-L727 VanDerWaalsContact C-N 3.35Å; H725-L727 PolarHBondContact O-N 3.04Å; H725-R728 PolarHBondContact O-N 3.45Å; H725-S729 PolarHBondContact CE1-OG 3.32Å; H725-S729 PolarHBondContact O-N 3.22Å; H725-S729 PolarHBondContact O-OG 2.86Å
726	L	93.8	Very high	92.5	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.7	-67.2	172.3	0	0	0	112	L703 A706 F707 C722 M723 R728 S729 L730	L703-L726 HydrophobicContact CD2-CD2 4.18Å; A706-L726 HydrophobicContact CB-CD1 4.25Å; A706-L726 HydrophobicContact CB-CD2 3.57Å; A706-L726 WeakPolarHBondContact O-CD1 3.4Å; F707-L726 HydrophobicContact CB-CD1 4.49Å; F707-L726 HydrophobicContact CD1-CB 4.09Å; F707-L726 HydrophobicContact CD1-CD1 3.64Å; F707-L726 HydrophobicContact CD1-CG 4.48Å; F707-L726 HydrophobicContact CE1-CB 3.53Å; F707-L726 HydrophobicContact CE1-CD1 3.99Å; F707-L726 HydrophobicContact CE1-CG 4.38Å; F707-L726 HydrophobicContact CE2-CB 4.49Å; F707-L726 HydrophobicContact CG-CD1 4.03Å; F707-L726 HydrophobicContact CZ-CB 3.75Å; C722-L726 WeakPolarHBondContact O-CG 3.18Å; C722-L726 PolarHBondContact O-N 3.17Å; M723-L726 PolarHBondContact O-N 3.11Å; M723-L726 HydrophobicContact SD-CD1 4.43Å; L726-R728 VanDerWaalsContact C-N 3.31Å; L726-R728 PolarHBondContact O-N 3.16Å; L726-S729 WeakPolarHBondContact O-CB 3.29Å; L726-S729 PolarHBondContact O-N 3.32Å; L726-S729 VanDerWaalsContact O-N 3.09Å; L726-L730 PolarHBondContact O-N 3.11Å
727	L	92.3	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-42.1	174.6	-170.8	67.3	0	0	0	111.9	M723 M724 H725 S729 L730 L735 F738 L739 Y805 I811 L816	M723-L727 PolarHBondContact O-N 2.79Å; M723-L727 VanDerWaalsContact O-N 3.15Å; M724-L727 HydrophobicContact SD-CD2 4.45Å; H725-L727 VanDerWaalsContact C-N 3.35Å; H725-L727 PolarHBondContact O-N 3.04Å; L727-S729 VanDerWaalsContact C-N 3.27Å; L727-S729 PolarHBondContact O-N 3.43Å; L727-L730 HydrophobicContact CD1-CD1 3.97Å; L727-L730 PolarHBondContact O-N 2.75Å; L727-L735 HydrophobicContact CD1-CD1 3.74Å; L727-L735 HydrophobicContact CG-CD1 3.78Å; L727-L735 WeakPolarHBondContact O-CD1 3.27Å; L727-F738 HydrophobicContact CD1-CD1 3.55Å; L727-F738 HydrophobicContact CD1-CE1 3.63Å; L727-L739 HydrophobicContact CD2-CD2 4.41Å; L727-Y805 HydrophobicContact CB-CE1 4.17Å; L727-Y805 HydrophobicContact CD1-CE1 4.43Å; L727-Y805 HydrophobicContact CD2-CD1 4.32Å; L727-Y805 HydrophobicContact CD2-CE1 4.08Å; L727-Y805 HydrophobicContact CG-CE1 4.48Å; L727-I811 HydrophobicContact CD2-CD1 3.65Å; L727-I811 HydrophobicContact CD2-CG2 4.09Å; L727-L816 HydrophobicContact CD2-CD1 4.07Å; L727-L816 HydrophobicContact CD2-CD2 4.23Å; L727-L816 HydrophobicContact CG-CD1 4.39Å
728	R	89.5	Confident	93.1	Very high	72 Å²	72	38.7 Å²	38.7	27%	0.272	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-24.6	176.5	-67.9	175.4	-170.1	106.3	2.7	113.5	M724 H725 L726 L730 L816	M724-R728 VanDerWaalsContact C-NH1 3.32Å; M724-R728 WeakPolarHBondContact O-CG 3.19Å; M724-R728 PolarHBondContact O-N 3.06Å; M724-R728 PolarHBondContact O-NH1 3.08Å; H725-R728 PolarHBondContact O-N 3.45Å; L726-R728 VanDerWaalsContact C-N 3.31Å; L726-R728 PolarHBondContact O-N 3.16Å; R728-L730 VanDerWaalsContact C-N 3.28Å; R728-L816 HydrophobicContact CG-CB 4.47Å; R728-L816 HydrophobicContact CG-CD2 3.81Å
729	S	93.7	Very high	93.4	Very high	38 Å²	38	37.9 Å²	37.9	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6	-178.9	-61.5	0	0	0	0	113.6	R702 H725 L726 L727	R702-S729 PolarHBondContact NH2-O 3.12Å; H725-S729 PolarHBondContact CE1-OG 3.32Å; H725-S729 PolarHBondContact O-N 3.22Å; H725-S729 PolarHBondContact O-OG 2.86Å; L726-S729 WeakPolarHBondContact O-CB 3.29Å; L726-S729 PolarHBondContact O-N 3.32Å; L726-S729 VanDerWaalsContact O-N 3.09Å; L727-S729 VanDerWaalsContact C-N 3.27Å; L727-S729 PolarHBondContact O-N 3.43Å
730	L	94.5	Very high	93.6	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	-71.9	145.1	176.2	-71.7	167.3	0	0	0	111.2	L699 T700 L703 L726 L727 R728 L735	L699-L730 HydrophobicContact CD2-CD1 3.59Å; L699-L730 HydrophobicContact CD2-CD2 4.12Å; L699-L730 HydrophobicContact CD2-CG 4.47Å; T700-L730 HydrophobicContact CG2-CD2 4.05Å; L703-L730 HydrophobicContact CD1-CD2 3.76Å; L703-L730 HydrophobicContact CD1-CG 4.15Å; L726-L730 PolarHBondContact O-N 3.11Å; L727-L730 HydrophobicContact CD1-CD1 3.97Å; L727-L730 PolarHBondContact O-N 2.75Å; R728-L730 VanDerWaalsContact C-N 3.28Å; L730-L735 HydrophobicContact CB-CB 4.05Å; L730-L735 HydrophobicContact CD1-CD1 4.46Å
731	P	94.3	Very high	94	Very high	60 Å²	60	32.9 Å²	32.9	39%	0.39	18%	0.177	S	C	.	.			trans	-57.2	143.1	171	-22.6	32.3	0	0	0	112.2	T700 P733 N734 L735	T700-P731 HydrophobicContact CG2-CG 4.44Å; P731-P733 VanDerWaalsContact O-N 3.15Å; P731-N734 HydrophobicContact CB-CB 4.4Å; P731-N734 WeakPolarHBondContact O-CA 3.37Å; P731-N734 WeakPolarHBondContact O-CB 3.22Å; P731-N734 PolarHBondContact O-N 2.85Å; P731-L735 PolarHBondContact O-N 3.42Å
732	D	92.6	Very high	94.4	Very high	88 Å²	88	28.1 Å²	28.1	47%	0.471	15%	0.151	S	C	.	.	H	α-helix	trans	-45.8	-47.6	-177.9	-85.1	13.8	0	0	0	114.2	N734 M736	D732-N734 PolarHBondContact O-N 3.3Å; D732-M736 WeakPolarHBondContact O-CB 3.32Å; D732-M736 VanDerWaalsContact O-CG 3.25Å; D732-M736 WeakPolarHBondContact O-CG 3.38Å; D732-M736 PolarHBondContact O-N 3.08Å
733	P	94.7	Very high	94.5	Very high	17 Å²	17	31.2 Å²	31.2	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.5	-22	34.4	0	0	0	113.6	I615 N616 T619 P731 T737	I615-P733 HydrophobicContact CG1-CB 4.41Å; I615-P733 HydrophobicContact CG2-CB 4.41Å; N616-P733 HydrophobicContact CB-CG 4.29Å; T619-P733 HydrophobicContact CG2-CB 4.1Å; P731-P733 VanDerWaalsContact O-N 3.15Å; P733-T737 VanDerWaalsContact O-CB 3.22Å; P733-T737 WeakPolarHBondContact O-CB 3.26Å; P733-T737 PolarHBondContact O-N 3.14Å; P733-T737 VanDerWaalsContact O-N 3.12Å; P733-T737 PolarHBondContact O-OG1 2.94Å
734	N	96.3	Very high	94.7	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-49	178	-66.5	63.1	0	0	0	110.4	I615 L698 P731 D732 T737 F738	I615-N734 VanDerWaalsContact CG2-OD1 3.29Å; I615-N734 WeakPolarHBondContact CG2-OD1 3.4Å; L698-N734 HydrophobicContact CD1-CB 4.25Å; L698-N734 WeakPolarHBondContact O-CB 3.14Å; L698-N734 PolarHBondContact O-ND2 2.96Å; P731-N734 HydrophobicContact CB-CB 4.4Å; P731-N734 WeakPolarHBondContact O-CA 3.37Å; P731-N734 WeakPolarHBondContact O-CB 3.22Å; P731-N734 PolarHBondContact O-N 2.85Å; D732-N734 PolarHBondContact O-N 3.3Å; N734-T737 PolarHBondContact O-N 3.3Å; N734-F738 VanDerWaalsContact O-CB 3.26Å; N734-F738 WeakPolarHBondContact O-CB 3.24Å; N734-F738 PolarHBondContact O-N 3.29Å
735	L	95.3	Very high	95	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-51.7	178.7	176.6	57.2	0	0	0	111.4	L727 L730 P731 T737 F738 L739 F813 L816	L727-L735 HydrophobicContact CD1-CD1 3.74Å; L727-L735 HydrophobicContact CG-CD1 3.78Å; L727-L735 WeakPolarHBondContact O-CD1 3.27Å; L730-L735 HydrophobicContact CB-CB 4.05Å; L730-L735 HydrophobicContact CD1-CD1 4.46Å; P731-L735 PolarHBondContact O-N 3.42Å; L735-T737 VanDerWaalsContact C-N 3.31Å; L735-T737 PolarHBondContact O-N 3.33Å; L735-F738 PolarHBondContact O-N 3.22Å; L735-L739 HydrophobicContact CD1-CD1 3.93Å; L735-L739 HydrophobicContact CD1-CD2 4.4Å; L735-L739 HydrophobicContact CD1-CG 3.93Å; L735-L739 HydrophobicContact CG-CD1 4.12Å; L735-L739 HydrophobicContact CG-CG 4.48Å; L735-L739 WeakPolarHBondContact O-CG 3.4Å; L735-L739 PolarHBondContact O-N 2.95Å; L735-F813 HydrophobicContact CD2-CD2 4.15Å; L735-F813 HydrophobicContact CD2-CE2 4.11Å; L735-L816 HydrophobicContact CD1-CD1 4.12Å; L735-L816 HydrophobicContact CD2-CD1 4.33Å
736	M	95.1	Very high	95.2	Very high	37 Å²	37	26.3 Å²	26.3	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-39.5	-178.6	-69.1	-63.3	-62.4	0	0	112.2	K625 V626 D732 T740 F813	K625-M736 HydrophobicContact CB-CB 4.17Å; K625-M736 HydrophobicContact CB-CG 4.13Å; K625-M736 HydrophobicContact CD-CE 4.18Å; K625-M736 HydrophobicContact CD-CG 4.14Å; V626-M736 HydrophobicContact CG2-CB 4.04Å; D732-M736 WeakPolarHBondContact O-CB 3.32Å; D732-M736 VanDerWaalsContact O-CG 3.25Å; D732-M736 WeakPolarHBondContact O-CG 3.38Å; D732-M736 PolarHBondContact O-N 3.08Å; M736-T740 WeakPolarHBondContact O-CB 3.34Å; M736-T740 PolarHBondContact O-N 3.41Å; M736-T740 PolarHBondContact O-OG1 3.22Å; M736-F813 HydrophobicContact CG-CD2 4.41Å; M736-F813 HydrophobicContact CG-CE2 4.38Å; M736-F813 HydrophobicContact SD-CB 3.94Å; M736-F813 HydrophobicContact SD-CD1 4.25Å; M736-F813 HydrophobicContact SD-CD2 3.26Å; M736-F813 WeakPolarHBondContact SD-CD2 3.48Å; M736-F813 HydrophobicContact SD-CE2 3.71Å; M736-F813 HydrophobicContact SD-CG 3.56Å; M736-F813 VanDerWaalsContact SD-CG 3.56Å; M736-F813 HydrophobicContact SD-CZ 4.35Å
737	T	97.4	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-41.4	176.6	-57.9	0	0	0	0	111.1	I615 V626 P627 V630 F691 L698 P733 N734 L735 T740 L741	I615-T737 HydrophobicContact CD1-CG2 4.11Å; V626-T737 HydrophobicContact CG1-CG2 4.39Å; P627-T737 VanDerWaalsContact CD-OG1 3.29Å; P627-T737 WeakPolarHBondContact CD-OG1 3.37Å; V630-T737 HydrophobicContact CG1-CG2 4.18Å; V630-T737 HydrophobicContact CG2-CG2 4.09Å; F691-T737 HydrophobicContact CE1-CG2 3.78Å; F691-T737 HydrophobicContact CZ-CG2 4.05Å; L698-T737 HydrophobicContact CD1-CG2 4.11Å; L698-T737 HydrophobicContact CD2-CG2 4.37Å; P733-T737 VanDerWaalsContact O-CB 3.22Å; P733-T737 WeakPolarHBondContact O-CB 3.26Å; P733-T737 PolarHBondContact O-N 3.14Å; P733-T737 VanDerWaalsContact O-N 3.12Å; P733-T737 PolarHBondContact O-OG1 2.94Å; N734-T737 PolarHBondContact O-N 3.3Å; L735-T737 VanDerWaalsContact C-N 3.31Å; L735-T737 PolarHBondContact O-N 3.33Å; T737-T740 PolarHBondContact O-N 3.05Å; T737-L741 WeakPolarHBondContact O-CB 3.25Å; T737-L741 PolarHBondContact O-N 2.91Å
738	F	97.1	Very high	95.6	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-44.4	177.8	-177.5	-120.3	0	0	0	112.3	L698 L699 L727 N734 L735 T740 L741 L742 L770 L802 Y805	L698-F738 HydrophobicContact CD2-CB 3.85Å; L698-F738 HydrophobicContact CD2-CD2 4.05Å; L698-F738 HydrophobicContact CD2-CG 4.43Å; L698-F738 HydrophobicContact CG-CB 4.39Å; L699-F738 HydrophobicContact CD1-CE2 4.02Å; L699-F738 HydrophobicContact CD1-CZ 4.12Å; L699-F738 HydrophobicContact CD2-CD1 4.06Å; L699-F738 HydrophobicContact CD2-CD2 4.29Å; L699-F738 HydrophobicContact CD2-CE1 4.04Å; L699-F738 HydrophobicContact CD2-CE2 4.28Å; L699-F738 HydrophobicContact CD2-CG 4.18Å; L699-F738 HydrophobicContact CD2-CZ 4.16Å; L699-F738 HydrophobicContact CG-CE2 4.43Å; L727-F738 HydrophobicContact CD1-CD1 3.55Å; L727-F738 HydrophobicContact CD1-CE1 3.63Å; N734-F738 VanDerWaalsContact O-CB 3.26Å; N734-F738 WeakPolarHBondContact O-CB 3.24Å; N734-F738 PolarHBondContact O-N 3.29Å; L735-F738 PolarHBondContact O-N 3.22Å; F738-T740 VanDerWaalsContact C-N 3.34Å; F738-T740 PolarHBondContact O-N 2.68Å; F738-L741 PolarHBondContact O-N 3.13Å; F738-L742 HydrophobicContact CD1-CD1 3.9Å; F738-L742 HydrophobicContact CD1-CG 4.43Å; F738-L742 HydrophobicContact CD2-CG 4.43Å; F738-L742 HydrophobicContact CE1-CD1 3.49Å; F738-L742 VanDerWaalsContact CE1-CD1 3.49Å; F738-L742 HydrophobicContact CE1-CG 4.09Å; F738-L742 HydrophobicContact CE2-CD1 4.38Å; F738-L742 HydrophobicContact CE2-CD2 4.19Å; F738-L742 HydrophobicContact CE2-CG 4.09Å; F738-L742 HydrophobicContact CZ-CD1 3.76Å; F738-L742 HydrophobicContact CZ-CD2 3.96Å; F738-L742 HydrophobicContact CZ-CG 3.91Å; F738-L742 WeakPolarHBondContact O-CG 3.41Å; F738-L742 PolarHBondContact O-N 3.12Å; F738-L770 HydrophobicContact CD2-CD1 4.15Å; F738-L770 HydrophobicContact CE2-CD1 3.92Å; F738-L802 HydrophobicContact CE2-CD1 3.79Å; F738-L802 HydrophobicContact CZ-CD1 4.01Å; F738-Y805 AromaticContact CE1-CD2 3.99Å; F738-Y805 HydrophobicContact CE1-CD2 3.99Å; F738-Y805 HydrophobicContact CE1-CE2 4.44Å; F738-Y805 HydrophobicContact CE1-CG 4.24Å; F738-Y805 AromaticContact CZ-CD2 3.9Å; F738-Y805 HydrophobicContact CZ-CD2 3.9Å; F738-Y805 HydrophobicContact CZ-CG 4.36Å
739	L	95.4	Very high	95.8	Very high	20 Å²	20	26.9 Å²	26.9	11%	0.105	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-41.4	175.5	-67.9	177.3	0	0	0	112	L727 L735 L741 L742 E743 I811 F813 L816	L727-L739 HydrophobicContact CD2-CD2 4.41Å; L735-L739 HydrophobicContact CD1-CD1 3.93Å; L735-L739 HydrophobicContact CD1-CD2 4.4Å; L735-L739 HydrophobicContact CD1-CG 3.93Å; L735-L739 HydrophobicContact CG-CD1 4.12Å; L735-L739 HydrophobicContact CG-CG 4.48Å; L735-L739 WeakPolarHBondContact O-CG 3.4Å; L735-L739 PolarHBondContact O-N 2.95Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L739-L741 PolarHBondContact O-N 3.47Å; L739-L742 HydrophobicContact CD2-CD1 4.39Å; L739-L742 PolarHBondContact O-N 3.22Å; L739-E743 PolarHBondContact O-N 3.37Å; L739-I811 HydrophobicContact CD2-CB 4.14Å; L739-I811 HydrophobicContact CD2-CG2 4.34Å; L739-F813 HydrophobicContact CD1-CB 4.38Å; L739-L816 HydrophobicContact CD1-CD1 4.03Å
740	T	96.4	Very high	95.9	Very high	41 Å²	41	32.2 Å²	32.2	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-61.7	-43.1	175.9	-54.8	0	0	0	0	111	I634 M736 T737 F738 H744	I634-T740 HydrophobicContact CD1-CG2 4.07Å; M736-T740 WeakPolarHBondContact O-CB 3.34Å; M736-T740 PolarHBondContact O-N 3.41Å; M736-T740 PolarHBondContact O-OG1 3.22Å; T737-T740 PolarHBondContact O-N 3.05Å; F738-T740 VanDerWaalsContact C-N 3.34Å; F738-T740 PolarHBondContact O-N 2.68Å; T740-H744 PolarHBondContact O-N 3.47Å; T740-H744 VanDerWaalsContact O-N 3.12Å
741	L	97.6	Very high	95.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-44.1	176.3	-178.8	64.4	0	0	0	111.8	L687 F691 T737 F738 L739 E743 H744 L745 F766 L770	L687-L741 HydrophobicContact CD2-CD1 4.4Å; F691-L741 HydrophobicContact CE2-CD1 4.26Å; F691-L741 HydrophobicContact CE2-CD2 3.87Å; F691-L741 HydrophobicContact CZ-CD2 3.96Å; T737-L741 WeakPolarHBondContact O-CB 3.25Å; T737-L741 PolarHBondContact O-N 2.91Å; F738-L741 PolarHBondContact O-N 3.13Å; L739-L741 VanDerWaalsContact C-N 3.33Å; L739-L741 PolarHBondContact O-N 3.47Å; L741-E743 VanDerWaalsContact C-N 3.32Å; L741-E743 PolarHBondContact O-N 2.95Å; L741-H744 WeakPolarHBondContact O-CB 3.46Å; L741-H744 PolarHBondContact O-N 3.1Å; L741-L745 HydrophobicContact CD1-CD1 4.26Å; L741-L745 HydrophobicContact CD1-CD2 4.4Å; L741-L745 HydrophobicContact CD1-CG 4.12Å; L741-L745 HydrophobicContact CG-CD1 3.99Å; L741-L745 HydrophobicContact CG-CG 4.25Å; L741-L745 VanDerWaalsContact O-CG 3.27Å; L741-L745 WeakPolarHBondContact O-CG 3.5Å; L741-L745 PolarHBondContact O-N 2.95Å; L741-F766 HydrophobicContact CD1-CE1 4.1Å; L741-F766 HydrophobicContact CD1-CZ 4.3Å; L741-F766 HydrophobicContact CD2-CD1 4.02Å; L741-F766 HydrophobicContact CD2-CE1 4.22Å; L741-L770 HydrophobicContact CD2-CD1 3.65Å; L741-L770 HydrophobicContact CD2-CD2 3.92Å; L741-L770 HydrophobicContact CD2-CG 4.35Å
742	L	96.7	Very high	95.6	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-44	177.2	-77.7	175.7	0	0	0	112	F738 L739 L745 K746 L802 L806	F738-L742 HydrophobicContact CD1-CD1 3.9Å; F738-L742 HydrophobicContact CD1-CG 4.43Å; F738-L742 HydrophobicContact CD2-CG 4.43Å; F738-L742 HydrophobicContact CE1-CD1 3.49Å; F738-L742 VanDerWaalsContact CE1-CD1 3.49Å; F738-L742 HydrophobicContact CE1-CG 4.09Å; F738-L742 HydrophobicContact CE2-CD1 4.38Å; F738-L742 HydrophobicContact CE2-CD2 4.19Å; F738-L742 HydrophobicContact CE2-CG 4.09Å; F738-L742 HydrophobicContact CZ-CD1 3.76Å; F738-L742 HydrophobicContact CZ-CD2 3.96Å; F738-L742 HydrophobicContact CZ-CG 3.91Å; F738-L742 WeakPolarHBondContact O-CG 3.41Å; F738-L742 PolarHBondContact O-N 3.12Å; L739-L742 HydrophobicContact CD2-CD1 4.39Å; L739-L742 PolarHBondContact O-N 3.22Å; L742-L745 PolarHBondContact O-N 3.27Å; L742-K746 VanDerWaalsContact O-CG 3.31Å; L742-K746 WeakPolarHBondContact O-CG 3.26Å; L742-K746 PolarHBondContact O-N 3.47Å; L742-L802 HydrophobicContact CD2-CD1 3.71Å; L742-L806 HydrophobicContact CD2-CD2 3.68Å; L742-L806 HydrophobicContact CD2-CG 3.86Å
743	E	95.9	Very high	95.2	Very high	106 Å²	106	38 Å²	38	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-45.4	177.6	-170.5	178	-175.5	0	0	111.3	L739 L741 K746 R747	L739-E743 PolarHBondContact O-N 3.37Å; L741-E743 VanDerWaalsContact C-N 3.32Å; L741-E743 PolarHBondContact O-N 2.95Å; E743-K746 PolarHBondContact O-N 3.05Å; E743-R747 WeakPolarHBondContact O-CG 3.13Å; E743-R747 PolarHBondContact O-N 3.49Å; E743-R747 VanDerWaalsContact O-N 3.14Å; E743-R747 IonicContact OE1-CZ 3.38Å; E743-R747 IonicContact OE1-NE 2.79Å; E743-R747 IonicContact OE1-NH2 2.61Å; E743-R747 PolarHBondContact OE1-NH2 3.22Å; E743-R747 IonicContact OE2-NH2 3.02Å
744	H	97.5	Very high	94.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-58.2	-49.9	175.1	174.1	60.4	0	0	0	112.6	I634 E638 Y648 T740 L741 K746 R747 V748	I634-H744 HydrophobicContact CD1-CB 3.97Å; I634-H744 HydrophobicContact CG1-CB 4.16Å; I634-H744 HydrophobicContact CG2-CB 3.9Å; E638-H744 VanDerWaalsContact CG-ND1 3.27Å; E638-H744 WeakPolarHBondContact CG-ND1 3.19Å; E638-H744 IonicContact OE1-CE1 2.81Å; E638-H744 IonicContact OE1-CG 3.33Å; E638-H744 IonicContact OE1-ND1 3.31Å; E638-H744 PolarHBondContact OE1-ND1 3.04Å; Y648-H744 AromaticContact CE2-NE2 3.37Å; Y648-H744 WeakPolarHBondContact CE2-NE2 3.27Å; Y648-H744 AromaticContact CZ-NE2 3.39Å; Y648-H744 PolarHBondContact OH-CD2 2.68Å; Y648-H744 VanDerWaalsContact OH-CD2 3.31Å; Y648-H744 PolarHBondContact OH-NE2 2.68Å; T740-H744 PolarHBondContact O-N 3.47Å; T740-H744 VanDerWaalsContact O-N 3.12Å; L741-H744 WeakPolarHBondContact O-CB 3.46Å; L741-H744 PolarHBondContact O-N 3.1Å; H744-K746 VanDerWaalsContact C-N 3.28Å; H744-K746 PolarHBondContact O-N 3.35Å; H744-R747 WeakPolarHBondContact O-CB 3.28Å; H744-R747 PolarHBondContact O-N 3.42Å; H744-R747 VanDerWaalsContact O-N 3.14Å; H744-V748 WeakPolarHBondContact O-CG2 3.26Å; H744-V748 PolarHBondContact O-N 2.84Å
745	L	97.7	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-34.3	-179.5	-66.2	178.5	0	0	0	112	Y648 L741 L742 V748 A749 L762 F766 L806	Y648-L745 HydrophobicContact CD2-CD2 4.48Å; Y648-L745 HydrophobicContact CE2-CD2 4.33Å; L741-L745 HydrophobicContact CD1-CD1 4.26Å; L741-L745 HydrophobicContact CD1-CD2 4.4Å; L741-L745 HydrophobicContact CD1-CG 4.12Å; L741-L745 HydrophobicContact CG-CD1 3.99Å; L741-L745 HydrophobicContact CG-CG 4.25Å; L741-L745 VanDerWaalsContact O-CG 3.27Å; L741-L745 WeakPolarHBondContact O-CG 3.5Å; L741-L745 PolarHBondContact O-N 2.95Å; L742-L745 PolarHBondContact O-N 3.27Å; L745-V748 PolarHBondContact O-N 3.39Å; L745-A749 PolarHBondContact O-N 3.49Å; L745-L762 HydrophobicContact CB-CD1 4.08Å; L745-L762 HydrophobicContact CD2-CB 4.38Å; L745-L762 HydrophobicContact CD2-CD1 4.32Å; L745-L762 HydrophobicContact CD2-CD2 4.02Å; L745-L762 HydrophobicContact CD2-CG 4.48Å; L745-L762 WeakPolarHBondContact O-CD1 3.2Å; L745-F766 HydrophobicContact CD1-CB 4.37Å; L745-F766 HydrophobicContact CD1-CD2 3.94Å; L745-F766 HydrophobicContact CD1-CE2 4.44Å; L745-F766 HydrophobicContact CD1-CG 4.15Å; L745-F766 HydrophobicContact CD2-CD2 3.76Å; L745-F766 HydrophobicContact CD2-CE2 3.52Å; L745-F766 HydrophobicContact CD2-CZ 4.25Å; L745-L806 HydrophobicContact CB-CD2 3.77Å; L745-L806 HydrophobicContact CD1-CD2 4.43Å
746	K	95.9	Very high	93.6	Very high	31 Å²	31	43.5 Å²	43.5	14%	0.135	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-45	173	-72.7	176.8	-163.7	-159.4	0	111.9	L742 E743 H744 V748 A749 E750 L759 Y805 L806 H808	L742-K746 VanDerWaalsContact O-CG 3.31Å; L742-K746 WeakPolarHBondContact O-CG 3.26Å; L742-K746 PolarHBondContact O-N 3.47Å; E743-K746 PolarHBondContact O-N 3.05Å; H744-K746 VanDerWaalsContact C-N 3.28Å; H744-K746 PolarHBondContact O-N 3.35Å; K746-V748 VanDerWaalsContact C-N 3.3Å; K746-V748 PolarHBondContact O-N 3.38Å; K746-A749 CarbonylContact O-C 3.51Å; K746-A749 PolarHBondContact O-N 3.2Å; K746-A749 VanDerWaalsContact O-N 3.11Å; K746-E750 WeakPolarHBondContact O-CG 3.39Å; K746-E750 PolarHBondContact O-N 2.88Å; K746-L759 HydrophobicContact CG-CD2 4.31Å; K746-Y805 PolarHBondContact NZ-O 2.9Å; K746-L806 WeakPolarHBondContact CE-O 3.34Å; K746-L806 HydrophobicContact CG-CD2 4.08Å; K746-L806 PolarHBondContact NZ-O 3.41Å; K746-H808 PolarHBondContact NZ-O 3.19Å
747	R	96.4	Very high	93.4	Very high	83 Å²	83	41.8 Å²	41.8	31%	0.313	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-38.2	176.4	-66.1	172.7	-168	159.6	-2.2	112.3	E638 E743 H744 E750	E638-R747 WeakPolarHBondContact OE1-CD 3.45Å; E638-R747 IonicContact OE1-CZ 2.68Å; E638-R747 IonicContact OE1-NH1 3.63Å; E638-R747 PolarHBondContact OE1-NH1 3.23Å; E638-R747 IonicContact OE2-CZ 3.66Å; E638-R747 IonicContact OE2-NH1 3.72Å; E638-R747 PolarHBondContact OE2-NH1 3.31Å; E743-R747 WeakPolarHBondContact O-CG 3.13Å; E743-R747 PolarHBondContact O-N 3.49Å; E743-R747 VanDerWaalsContact O-N 3.14Å; E743-R747 IonicContact OE1-CZ 3.38Å; E743-R747 IonicContact OE1-NE 2.79Å; E743-R747 IonicContact OE1-NH2 2.61Å; E743-R747 PolarHBondContact OE1-NH2 3.22Å; E743-R747 IonicContact OE2-NH2 3.02Å; H744-R747 WeakPolarHBondContact O-CB 3.28Å; H744-R747 PolarHBondContact O-N 3.42Å; H744-R747 VanDerWaalsContact O-N 3.14Å; R747-E750 PolarHBondContact O-N 3.2Å
748	V	97.4	Very high	93	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-46.1	173	174.6	0	0	0	0	110.4	I647 Y648 H744 L745 K746 E750 K751 N755 M757 L762	I647-V748 HydrophobicContact CG2-CG1 3.7Å; Y648-V748 HydrophobicContact CE2-CG2 4.32Å; H744-V748 WeakPolarHBondContact O-CG2 3.26Å; H744-V748 PolarHBondContact O-N 2.84Å; L745-V748 PolarHBondContact O-N 3.39Å; K746-V748 VanDerWaalsContact C-N 3.3Å; K746-V748 PolarHBondContact O-N 3.38Å; V748-E750 VanDerWaalsContact C-N 3.32Å; V748-E750 PolarHBondContact O-N 3.07Å; V748-K751 PolarHBondContact O-N 2.99Å; V748-N755 PolarHBondContact O-ND2 3.5Å; V748-M757 HydrophobicContact CG1-CB 4.13Å; V748-L762 HydrophobicContact CB-CD1 4.11Å; V748-L762 HydrophobicContact CG1-CD1 4.05Å; V748-L762 HydrophobicContact CG1-CD2 4.12Å
749	A	94.9	Very high	92.8	Very high	11 Å²	11	44.8 Å²	44.8	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-27.2	179	0	0	0	0	0	114.3	L745 K746 K751 E752 M757 L759 L762	L745-A749 PolarHBondContact O-N 3.49Å; K746-A749 CarbonylContact O-C 3.51Å; K746-A749 PolarHBondContact O-N 3.2Å; K746-A749 VanDerWaalsContact O-N 3.11Å; A749-K751 PolarHBondContact O-N 3.46Å; A749-K751 VanDerWaalsContact O-N 3.13Å; A749-E752 WeakPolarHBondContact O-CB 3.49Å; A749-E752 PolarHBondContact O-N 3Å; A749-M757 WeakPolarHBondContact CA-O 3.41Å; A749-L759 HydrophobicContact CB-CD2 3.4Å; A749-L759 HydrophobicContact CB-CG 3.88Å; A749-L762 HydrophobicContact CB-CD1 4.01Å
750	E	95.1	Very high	92.4	Very high	150 Å²	150	44.8 Å²	44.8	70%	0.701	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.3	171	-72.7	168.9	-178.7	0	0	112.5	K746 R747 V748	K746-E750 WeakPolarHBondContact O-CG 3.39Å; K746-E750 PolarHBondContact O-N 2.88Å; R747-E750 PolarHBondContact O-N 3.2Å; V748-E750 VanDerWaalsContact C-N 3.32Å; V748-E750 PolarHBondContact O-N 3.07Å
751	K	94.1	Very high	92	Very high	93 Å²	93	43.3 Å²	43.3	40%	0.404	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	14.3	175	-62.3	-62	-171.6	171.5	0	113.7	I642 V748 A749 P753 V754 N755	I642-K751 HydrophobicContact CD1-CG 3.96Å; I642-K751 HydrophobicContact CG1-CB 4.43Å; I642-K751 HydrophobicContact CG1-CG 3.89Å; V748-K751 PolarHBondContact O-N 2.99Å; A749-K751 PolarHBondContact O-N 3.46Å; A749-K751 VanDerWaalsContact O-N 3.13Å; K751-P753 VanDerWaalsContact C-N 3.3Å; K751-P753 VanDerWaalsContact O-N 3.13Å; K751-V754 PolarHBondContact O-N 3.36Å; K751-N755 WeakPolarHBondContact CB-ND2 3.37Å; K751-N755 VanDerWaalsContact O-CG 3.29Å; K751-N755 PolarHBondContact O-N 3.15Å; K751-N755 PolarHBondContact O-OD1 2.9Å
752	E	87.5	Confident	91.8	Very high	91 Å²	91	43.3 Å²	43.3	43%	0.425	21%	0.213	S	C	.	.	H	α-helix	trans	-45.9	-41.7	178	177.3	-179.9	172.5	0	0	114.4	A749 V754 N755 K756 S758	A749-E752 WeakPolarHBondContact O-CB 3.49Å; A749-E752 PolarHBondContact O-N 3Å; E752-V754 PolarHBondContact O-N 3.03Å; E752-V754 VanDerWaalsContact O-N 3.1Å; E752-N755 VanDerWaalsContact CA-OD1 3.31Å; E752-N755 WeakPolarHBondContact CA-OD1 3.28Å; E752-N755 PolarHBondContact N-OD1 2.88Å; E752-K756 WeakPolarHBondContact O-CA 3.34Å; E752-K756 PolarHBondContact O-N 2.85Å; E752-S758 VanDerWaalsContact CD-CB 3.4Å; E752-S758 WeakPolarHBondContact OE1-CB 3.37Å; E752-S758 WeakPolarHBondContact OE2-CA 3.33Å; E752-S758 VanDerWaalsContact OE2-CB 3.32Å; E752-S758 WeakPolarHBondContact OE2-CB 3.15Å
753	P	84	Confident	91.6	Very high	90 Å²	90	43 Å²	43	58%	0.584	21%	0.211	S	C	*	.	H	α-helix	trans	-57	-30.1	178.6	-27.2	36.3	0	0	0	113.9	K751 K756	K751-P753 VanDerWaalsContact C-N 3.3Å; K751-P753 VanDerWaalsContact O-N 3.13Å; P753-K756 WeakPolarHBondContact O-CE 3.14Å; P753-K756 PolarHBondContact O-NZ 3.46Å
754	V	82.3	Confident	91.1	Very high	66 Å²	66	40.5 Å²	40.5	40%	0.4	20%	0.204	S	C	.	.	H	α-helix	trans	-94.7	-59.3	-179.8	-177.5	0	0	0	0	110.3	D643 K751 E752 K756	D643-V754 HydrophobicContact CB-CG1 3.97Å; K751-V754 PolarHBondContact O-N 3.36Å; E752-V754 PolarHBondContact O-N 3.03Å; E752-V754 VanDerWaalsContact O-N 3.1Å; V754-K756 PolarHBondContact O-N 2.97Å
755	N	86.8	Confident	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-83.1	-9	-171.1	68.4	23.8	0	0	0	114.2	I642 E644 V645 G646 V748 K751 E752 M757	I642-N755 WeakPolarHBondContact O-CB 3.47Å; I642-N755 PolarHBondContact O-ND2 3.42Å; E644-N755 WeakPolarHBondContact O-CB 3.43Å; V645-N755 CarbonylContact C-O 3.52Å; V645-N755 WeakPolarHBondContact CA-O 3.38Å; G646-N755 PolarHBondContact N-O 2.88Å; V748-N755 PolarHBondContact O-ND2 3.5Å; K751-N755 WeakPolarHBondContact CB-ND2 3.37Å; K751-N755 VanDerWaalsContact O-CG 3.29Å; K751-N755 PolarHBondContact O-N 3.15Å; K751-N755 PolarHBondContact O-OD1 2.9Å; E752-N755 VanDerWaalsContact CA-OD1 3.31Å; E752-N755 WeakPolarHBondContact CA-OD1 3.28Å; E752-N755 PolarHBondContact N-OD1 2.88Å; N755-M757 PolarHBondContact O-N 3.28Å; N755-M757 PolarHBondContact OD1-N 3.3Å
756	K	84.9	Confident	90.6	Very high	85 Å²	85	41.9 Å²	41.9	37%	0.37	21%	0.212	S	C	.	.			trans	60.6	20.2	179.8	-46.4	-55.9	-175.5	-173.5	0	114.8	V645 E752 P753 V754 N761	V645-K756 HydrophobicContact CG1-CB 4.49Å; V645-K756 HydrophobicContact CG1-CG 4.12Å; E752-K756 WeakPolarHBondContact O-CA 3.34Å; E752-K756 PolarHBondContact O-N 2.85Å; P753-K756 WeakPolarHBondContact O-CE 3.14Å; P753-K756 PolarHBondContact O-NZ 3.46Å; V754-K756 PolarHBondContact O-N 2.97Å; K756-N761 PolarHBondContact O-ND2 3.11Å; K756-N761 VanDerWaalsContact O-ND2 3.14Å
757	M	89.6	Confident	90.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.			trans	-104.9	91.1	179.4	-68.5	-57.6	-63.4	0	0	111.2	I647 R649 V748 A749 N755 N761 L762	I647-M757 HydrophobicContact CG2-CG 4.06Å; I647-M757 WeakPolarHBondContact O-CE 3.34Å; I647-M757 WeakPolarHBondContact O-CG 3.29Å; R649-M757 HydrophobicContact CB-CE 3.91Å; R649-M757 HydrophobicContact CB-SD 3.77Å; V748-M757 HydrophobicContact CG1-CB 4.13Å; A749-M757 WeakPolarHBondContact CA-O 3.41Å; N755-M757 PolarHBondContact O-N 3.28Å; N755-M757 PolarHBondContact OD1-N 3.3Å; M757-N761 HydrophobicContact CE-CB 3.78Å; M757-N761 HydrophobicContact SD-CB 4.21Å; M757-L762 HydrophobicContact CB-CD2 4.19Å; M757-L762 HydrophobicContact CB-CG 4.36Å; M757-L762 HydrophobicContact CE-CD2 3.59Å; M757-L762 HydrophobicContact CE-CG 4.16Å
758	S	90.2	Very high	89.9	Confident	17 Å²	17	38 Å²	38	12%	0.119	20%	0.201	C	C	.	.			trans	-68.9	166	173.6	74.1	0	0	0	0	112.8	E752 H760 N761 L762	E752-S758 VanDerWaalsContact CD-CB 3.4Å; E752-S758 WeakPolarHBondContact OE1-CB 3.37Å; E752-S758 WeakPolarHBondContact OE2-CA 3.33Å; E752-S758 VanDerWaalsContact OE2-CB 3.32Å; E752-S758 WeakPolarHBondContact OE2-CB 3.15Å; S758-H760 PolarHBondContact O-N 2.66Å; S758-H760 PolarHBondContact OG-N 3.12Å; S758-N761 PolarHBondContact O-N 3.02Å; S758-N761 VanDerWaalsContact O-N 3.09Å; S758-N761 VanDerWaalsContact OG-CG 3.3Å; S758-N761 PolarHBondContact OG-N 3.13Å; S758-N761 VanDerWaalsContact OG-N 3.07Å; S758-N761 PolarHBondContact OG-OD1 3.48Å; S758-L762 WeakPolarHBondContact O-CG 3.46Å; S758-L762 PolarHBondContact O-N 3.12Å
759	L	91.8	Very high	89.5	Confident	47 Å²	47	38.9 Å²	38.9	25%	0.246	21%	0.206	C	C	.	.	H	α-helix	trans	-54.2	-36.8	171.3	-68.2	-179.1	0	0	0	112.1	K746 A749 A763 L803 L806 Q807	K746-L759 HydrophobicContact CG-CD2 4.31Å; A749-L759 HydrophobicContact CB-CD2 3.4Å; A749-L759 HydrophobicContact CB-CG 3.88Å; L759-A763 WeakPolarHBondContact O-CB 3.3Å; L759-A763 PolarHBondContact O-N 2.85Å; L759-L803 HydrophobicContact CB-CD1 3.97Å; L759-L806 HydrophobicContact CD2-CB 4.11Å; L759-L806 HydrophobicContact CD2-CD2 4.27Å; L759-L806 WeakPolarHBondContact O-CD1 3Å; L759-Q807 HydrophobicContact CD1-CG 4.18Å
760	H	88	Confident	89.4	Confident	19 Å²	19	38.4 Å²	38.4	9%	0.088	20%	0.202	C	C	.	.	H	α-helix	trans	-68.9	-45.3	176.8	-176	85.8	0	0	0	111.7	H341 S758 L762 A763 T764 L803	H341-H760 VanDerWaalsContact CA-NE2 3.35Å; H341-H760 WeakPolarHBondContact CA-NE2 3.36Å; H341-H760 HydrophobicContact CB-CB 4.18Å; H341-H760 WeakPolarHBondContact CB-CD2 3.14Å; H341-H760 WeakPolarHBondContact CB-CE1 3.49Å; H341-H760 VanDerWaalsContact CB-ND1 3.3Å; H341-H760 WeakPolarHBondContact CB-ND1 3.44Å; H341-H760 WeakPolarHBondContact CB-NE2 3.43Å; S758-H760 PolarHBondContact O-N 2.66Å; S758-H760 PolarHBondContact OG-N 3.12Å; H760-L762 VanDerWaalsContact C-N 3.26Å; H760-L762 PolarHBondContact O-N 2.89Å; H760-A763 CarbonylContact O-C 3.57Å; H760-A763 WeakPolarHBondContact O-CA 3.49Å; H760-A763 WeakPolarHBondContact O-CB 3.29Å; H760-A763 PolarHBondContact O-N 3.46Å; H760-T764 PolarHBondContact NE2-OG1 2.91Å; H760-T764 PolarHBondContact O-N 3.45Å; H760-T764 PolarHBondContact O-OG1 3.05Å; H760-T764 VanDerWaalsContact O-OG1 3.13Å; H760-L803 HydrophobicContact CB-CD1 4.48Å
761	N	88.1	Confident	89.1	Confident	11 Å²	11	31.4 Å²	31.4	6%	0.059	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-40.8	179.3	-69.4	2	0	0	0	111.3	E340 K756 M757 S758 T764 V765	E340-N761 WeakPolarHBondContact CB-OD1 3.4Å; E340-N761 PolarHBondContact OE2-ND2 3.48Å; E340-N761 PolarHBondContact OE2-OD1 3.11Å; E340-N761 VanDerWaalsContact OE2-OD1 3.07Å; K756-N761 PolarHBondContact O-ND2 3.11Å; K756-N761 VanDerWaalsContact O-ND2 3.14Å; M757-N761 HydrophobicContact CE-CB 3.78Å; M757-N761 HydrophobicContact SD-CB 4.21Å; S758-N761 PolarHBondContact O-N 3.02Å; S758-N761 VanDerWaalsContact O-N 3.09Å; S758-N761 VanDerWaalsContact OG-CG 3.3Å; S758-N761 PolarHBondContact OG-N 3.13Å; S758-N761 VanDerWaalsContact OG-N 3.07Å; S758-N761 PolarHBondContact OG-OD1 3.48Å; N761-T764 PolarHBondContact O-N 3.41Å; N761-V765 WeakPolarHBondContact O-CG2 3.27Å; N761-V765 PolarHBondContact O-N 2.88Å
762	L	94.2	Very high	88.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.6	-37.7	174.6	-63.5	170.5	0	0	0	111.9	Y648 L745 V748 A749 M757 S758 H760 T764 V765 F766	Y648-L762 HydrophobicContact CD2-CD2 4.08Å; L745-L762 HydrophobicContact CB-CD1 4.08Å; L745-L762 HydrophobicContact CD2-CB 4.38Å; L745-L762 HydrophobicContact CD2-CD1 4.32Å; L745-L762 HydrophobicContact CD2-CD2 4.02Å; L745-L762 HydrophobicContact CD2-CG 4.48Å; L745-L762 WeakPolarHBondContact O-CD1 3.2Å; V748-L762 HydrophobicContact CB-CD1 4.11Å; V748-L762 HydrophobicContact CG1-CD1 4.05Å; V748-L762 HydrophobicContact CG1-CD2 4.12Å; A749-L762 HydrophobicContact CB-CD1 4.01Å; M757-L762 HydrophobicContact CB-CD2 4.19Å; M757-L762 HydrophobicContact CB-CG 4.36Å; M757-L762 HydrophobicContact CE-CD2 3.59Å; M757-L762 HydrophobicContact CE-CG 4.16Å; S758-L762 WeakPolarHBondContact O-CG 3.46Å; S758-L762 PolarHBondContact O-N 3.12Å; H760-L762 VanDerWaalsContact C-N 3.26Å; H760-L762 PolarHBondContact O-N 2.89Å; L762-T764 VanDerWaalsContact C-N 3.35Å; L762-V765 PolarHBondContact O-N 3.12Å; L762-F766 PolarHBondContact O-N 3.28Å
763	A	91.6	Very high	87.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-39	175	0	0	0	0	0	112.3	L759 H760 V765 G767 V799 L802 L803 L806	L759-A763 WeakPolarHBondContact O-CB 3.3Å; L759-A763 PolarHBondContact O-N 2.85Å; H760-A763 CarbonylContact O-C 3.57Å; H760-A763 WeakPolarHBondContact O-CA 3.49Å; H760-A763 WeakPolarHBondContact O-CB 3.29Å; H760-A763 PolarHBondContact O-N 3.46Å; A763-V765 VanDerWaalsContact C-N 3.33Å; A763-V765 PolarHBondContact O-N 3.19Å; A763-G767 WeakPolarHBondContact O-CA 3.49Å; A763-G767 PolarHBondContact O-N 2.73Å; A763-V799 HydrophobicContact CB-CG1 3.86Å; A763-L802 HydrophobicContact CB-CB 4.38Å; A763-L802 HydrophobicContact CB-CD2 4.47Å; A763-L802 HydrophobicContact CB-CG 4.33Å; A763-L803 HydrophobicContact CB-CB 3.92Å; A763-L803 HydrophobicContact CB-CD1 4.45Å; A763-L806 HydrophobicContact CB-CD1 4.18Å
764	T	86.1	Confident	86.8	Confident	54 Å²	54	21.6 Å²	21.6	33%	0.331	12%	0.121	S	C	.	.	H	α-helix	trans	-61.6	-40.2	175.2	-57.4	0	0	0	0	112	H760 N761 L762 P768	H760-T764 PolarHBondContact NE2-OG1 2.91Å; H760-T764 PolarHBondContact O-N 3.45Å; H760-T764 PolarHBondContact O-OG1 3.05Å; H760-T764 VanDerWaalsContact O-OG1 3.13Å; N761-T764 PolarHBondContact O-N 3.41Å; L762-T764 VanDerWaalsContact C-N 3.35Å; T764-P768 WeakPolarHBondContact O-CD 3.43Å
765	V	89.1	Confident	85.7	Confident	30 Å²	30	25 Å²	25	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-73.6	-47	178.2	176.3	0	0	0	0	112.1	R649 K688 N761 L762 A763 T769	R649-V765 HydrophobicContact CB-CG2 4.47Å; K688-V765 HydrophobicContact CD-CG1 3.59Å; N761-V765 WeakPolarHBondContact O-CG2 3.27Å; N761-V765 PolarHBondContact O-N 2.88Å; L762-V765 PolarHBondContact O-N 3.12Å; A763-V765 VanDerWaalsContact C-N 3.33Å; A763-V765 PolarHBondContact O-N 3.19Å; V765-T769 PolarHBondContact O-OG1 3.12Å
766	F	94.2	Very high	84.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-92.5	-22.9	-170.5	-82	-83.1	0	0	0	114.3	Y648 K688 F691 L741 L745 L762 T769 L770 L802	Y648-F766 AromaticContact CD1-CE2 3.65Å; Y648-F766 HydrophobicContact CD1-CE2 3.65Å; Y648-F766 AromaticContact CD1-CZ 3.58Å; Y648-F766 HydrophobicContact CD1-CZ 3.58Å; Y648-F766 HydrophobicContact CD2-CE2 4.17Å; Y648-F766 HydrophobicContact CE1-CE2 4.11Å; Y648-F766 AromaticContact CE1-CZ 3.73Å; Y648-F766 HydrophobicContact CE1-CZ 3.73Å; Y648-F766 AromaticContact CG-CE2 3.69Å; Y648-F766 HydrophobicContact CG-CE2 3.69Å; Y648-F766 HydrophobicContact CG-CZ 4.12Å; K688-F766 HydrophobicContact CG-CE1 4.17Å; K688-F766 HydrophobicContact CG-CZ 4Å; F691-F766 HydrophobicContact CD2-CE1 4.26Å; F691-F766 HydrophobicContact CE2-CE1 4.46Å; L741-F766 HydrophobicContact CD1-CE1 4.1Å; L741-F766 HydrophobicContact CD1-CZ 4.3Å; L741-F766 HydrophobicContact CD2-CD1 4.02Å; L741-F766 HydrophobicContact CD2-CE1 4.22Å; L745-F766 HydrophobicContact CD1-CB 4.37Å; L745-F766 HydrophobicContact CD1-CD2 3.94Å; L745-F766 HydrophobicContact CD1-CE2 4.44Å; L745-F766 HydrophobicContact CD1-CG 4.15Å; L745-F766 HydrophobicContact CD2-CD2 3.76Å; L745-F766 HydrophobicContact CD2-CE2 3.52Å; L745-F766 HydrophobicContact CD2-CZ 4.25Å; L762-F766 PolarHBondContact O-N 3.28Å; F766-T769 WeakPolarHBondContact O-CB 3.34Å; F766-T769 PolarHBondContact O-N 3.42Å; F766-T769 VanDerWaalsContact O-N 3.11Å; F766-L770 HydrophobicContact CB-CD1 4.13Å; F766-L770 HydrophobicContact CB-CG 4.4Å; F766-L770 HydrophobicContact CD1-CD1 4.48Å; F766-L770 HydrophobicContact CD1-CG 4.43Å; F766-L770 WeakPolarHBondContact O-CB 3.43Å; F766-L770 WeakPolarHBondContact O-CG 3.33Å; F766-L770 PolarHBondContact O-N 3.15Å; F766-L802 HydrophobicContact CB-CD2 3.36Å
767	G	92.1	Very high	82.3	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-54	-59.7	-179.4	0	0	0	0	0	111.8	A763 T769 L770 L771	A763-G767 WeakPolarHBondContact O-CA 3.49Å; A763-G767 PolarHBondContact O-N 2.73Å; G767-T769 PolarHBondContact O-N 3.47Å; G767-L770 PolarHBondContact O-N 2.59Å; G767-L771 PolarHBondContact O-N 3.44Å
768	P	86.3	Confident	80.3	Confident	32 Å²	32	33 Å²	33	21%	0.208	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-17.4	177.3	-22.2	35.6	0	0	0	114.8	T764 L771 V795 Q798	T764-P768 WeakPolarHBondContact O-CD 3.43Å; P768-L771 CarbonylContact C-O 3.53Å; P768-V795 HydrophobicContact CG-CG1 3.88Å; P768-Q798 VanDerWaalsContact CA-OE1 3.31Å
769	T	88.8	Confident	78	Confident	20 Å²	20	36.3 Å²	36.3	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-78	-37.3	175.9	-61.6	0	0	0	0	110.9	F691 V765 F766 G767	F691-T769 HydrophobicContact CB-CG2 3.67Å; V765-T769 PolarHBondContact O-OG1 3.12Å; F766-T769 WeakPolarHBondContact O-CB 3.34Å; F766-T769 PolarHBondContact O-N 3.42Å; F766-T769 VanDerWaalsContact O-N 3.11Å; G767-T769 PolarHBondContact O-N 3.47Å
770	L	93.4	Very high	75.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-97.1	-26.7	-173.8	-60.2	178.6	0	0	0	113.8	F691 P697 L698 L699 F738 L741 F766 G767 L802	F691-L770 HydrophobicContact CB-CD2 4.08Å; F691-L770 HydrophobicContact CD1-CD2 3.9Å; F691-L770 HydrophobicContact CD2-CD2 4.25Å; F691-L770 HydrophobicContact CE1-CD2 4.41Å; F691-L770 HydrophobicContact CG-CD2 3.82Å; P697-L770 VanDerWaalsContact CB-O 3.24Å; P697-L770 WeakPolarHBondContact CB-O 3.48Å; L698-L770 HydrophobicContact CB-CD2 3.91Å; L698-L770 HydrophobicContact CD2-CD2 3.78Å; L698-L770 PolarHBondContact N-O 3.43Å; L699-L770 HydrophobicContact CD1-CB 4.3Å; L699-L770 PolarHBondContact N-O 3.05Å; F738-L770 HydrophobicContact CD2-CD1 4.15Å; F738-L770 HydrophobicContact CE2-CD1 3.92Å; L741-L770 HydrophobicContact CD2-CD1 3.65Å; L741-L770 HydrophobicContact CD2-CD2 3.92Å; L741-L770 HydrophobicContact CD2-CG 4.35Å; F766-L770 HydrophobicContact CB-CD1 4.13Å; F766-L770 HydrophobicContact CB-CG 4.4Å; F766-L770 HydrophobicContact CD1-CD1 4.48Å; F766-L770 HydrophobicContact CD1-CG 4.43Å; F766-L770 WeakPolarHBondContact O-CB 3.43Å; F766-L770 WeakPolarHBondContact O-CG 3.33Å; F766-L770 PolarHBondContact O-N 3.15Å; G767-L770 PolarHBondContact O-N 2.59Å; L770-L802 HydrophobicContact CD1-CD1 4.29Å; L770-L802 HydrophobicContact CD1-CD2 4.21Å
771	L	89	Confident	73.1	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	26%	0.258	C	S	.	.			trans	-120.8	133.2	177.7	-66.3	121	0	0	0	109.8	L699 Y704 F707 M708 G767 P768 Q798 V801	L699-L771 HydrophobicContact CB-CD2 4Å; L699-L771 HydrophobicContact CB-CG 3.98Å; L699-L771 HydrophobicContact CD1-CD1 3.42Å; L699-L771 VanDerWaalsContact CD1-CD1 3.42Å; L699-L771 HydrophobicContact CD1-CD2 3.82Å; L699-L771 HydrophobicContact CD1-CG 3.45Å; L699-L771 VanDerWaalsContact CD1-CG 3.45Å; L699-L771 HydrophobicContact CG-CG 4.3Å; Y704-L771 HydrophobicContact CD2-CB 4.22Å; Y704-L771 HydrophobicContact CD2-CD2 4.37Å; Y704-L771 HydrophobicContact CE2-CB 4.24Å; F707-L771 HydrophobicContact CB-CD2 4.08Å; F707-L771 HydrophobicContact CD2-CD2 4.04Å; F707-L771 HydrophobicContact CG-CD2 4.12Å; M708-L771 HydrophobicContact CE-CD2 3.89Å; G767-L771 PolarHBondContact O-N 3.44Å; P768-L771 CarbonylContact C-O 3.53Å; L771-Q798 HydrophobicContact CB-CB 4.12Å; L771-Q798 HydrophobicContact CB-CG 3.76Å; L771-Q798 HydrophobicContact CD1-CB 4.38Å; L771-V801 HydrophobicContact CD1-CB 4.18Å; L771-V801 HydrophobicContact CD1-CG1 3.86Å; L771-V801 HydrophobicContact CD2-CG1 4Å
772	R	77.8	Confident	70.4	Confident	25 Å²	25	51.8 Å²	51.8	9%	0.094	30%	0.296	C	S	.	.			trans	-153.1	144.6	173.3	-170.4	175.4	-68.1	171	3.7	109.8	L599 P697 Y704	L599-R772 VanDerWaalsContact CA-NH1 3.27Å; L599-R772 VanDerWaalsContact CB-NH1 3.25Å; L599-R772 PolarHBondContact O-NH1 3.36Å; P697-R772 HydrophobicContact CG-CB 4.16Å; Y704-R772 WeakPolarHBondContact CD2-O 3.22Å; Y704-R772 VanDerWaalsContact CE2-C 3.48Å
773	P	71.9	Confident	67.6	Low	27 Å²	27	61.3 Å²	61.3	18%	0.175	34%	0.34	C	S	.	.			trans	-65.1	149.6	171.3	24.1	-31.9	0	0	0	111.8	Y704	Y704-P773 HydrophobicContact CD1-CB 4.34Å; Y704-P773 HydrophobicContact CE1-CB 3.79Å
774	S	66.3	Low	64.9	Low	17 Å²	17	65.8 Å²	65.8	12%	0.119	36%	0.363	C	S	.	.			trans	-71.4	147.3	179.1	69.8	0	0	0	0	112.1	S776 E777 S778	S774-S776 PolarHBondContact O-N 3.5Å; S774-S776 VanDerWaalsContact O-N 3.11Å; S774-S776 PolarHBondContact OG-OG 3.24Å; S774-E777 PolarHBondContact O-N 3.45Å; S774-E777 VanDerWaalsContact O-N 3.13Å; S774-E777 PolarHBondContact OG-OE2 3.01Å; S774-E777 VanDerWaalsContact OG-OE2 3.06Å; S774-S778 PolarHBondContact O-N 3.2Å; S774-S778 PolarHBondContact O-OG 3.12Å; S774-S778 VanDerWaalsContact O-OG 3.05Å
775	E	60.7	Low	62.5	Low	136 Å²	136	69.2 Å²	69.2	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-57.9	-26.1	176.2	-68.6	-172.2	165.8	0	0	112.6
776	S	51.5	Low	60.1	Low	78 Å²	78	70.5 Å²	70.5	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-73.5	-24	179.5	44.9	0	0	0	0	114.9	S774	S774-S776 PolarHBondContact O-N 3.5Å; S774-S776 VanDerWaalsContact O-N 3.11Å; S774-S776 PolarHBondContact OG-OG 3.24Å
777	E	48.2	Very low	57.4	Low	93 Å²	93	74.3 Å²	74.3	44%	0.435	43%	0.426	S	S	.	.	H	α-helix	trans	-87.5	-31.8	176.8	-76.7	168.3	146.7	0	0	111.4	S774 A779 K780	S774-E777 PolarHBondContact O-N 3.45Å; S774-E777 VanDerWaalsContact O-N 3.13Å; S774-E777 PolarHBondContact OG-OE2 3.01Å; S774-E777 VanDerWaalsContact OG-OE2 3.06Å; E777-A779 PolarHBondContact O-N 3.48Å; E777-K780 PolarHBondContact O-N 3.13Å
778	S	47.1	Very low	55.1	Low	83 Å²	83	75.3 Å²	75.3	58%	0.58	43%	0.432	S	S	*	.	H	α-helix	trans	-62.6	-29.5	177.4	-21.3	0	0	0	0	112.6	S774	S774-S778 PolarHBondContact O-N 3.2Å; S774-S778 PolarHBondContact O-OG 3.12Å; S774-S778 VanDerWaalsContact O-OG 3.05Å
779	A	42.8	Very low	53	Low	87 Å²	87	75.6 Å²	75.6	72%	0.719	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.2	-179.4	0	0	0	0	0	114.6	E777	E777-A779 PolarHBondContact O-N 3.48Å
780	K	40	Very low	50.9	Low	178 Å²	178	78.2 Å²	78.2	77%	0.774	45%	0.445	S	S	*	.	S	Bend	trans	-97.4	-1.4	-176.6	-71.1	-176.9	-177.8	177.2	0	114.3	E777	E777-K780 PolarHBondContact O-N 3.13Å
781	G	36	Very low	48.8	Very low	41 Å²	41	81.6 Å²	81.6	42%	0.423	46%	0.457	S	S	.	.	S	Bend	trans	-78.8	116.5	174.6	0	0	0	0	0	112.7
782	Q	30.7	Very low	47.3	Very low	184 Å²	184	82.6 Å²	82.6	86%	0.86	47%	0.465	S	S	*	.			trans	-56.1	129.3	174.5	-72.2	162.8	-41.4	0	0	112.3	I784	Q782-I784 WeakPolarHBondContact O-CG1 3.29Å; Q782-I784 PolarHBondContact O-N 3.29Å; Q782-I784 VanDerWaalsContact O-N 3.11Å
783	H	36.1	Very low	46.4	Very low	200 Å²	200	87.9 Å²	87.9	93%	0.926	49%	0.49	S	S	*	.	S	Bend	trans	24.1	74.5	161.5	-98.2	-82.5	0	0	0	115
784	I	34	Very low	46.2	Very low	93 Å²	93	88.5 Å²	88.5	48%	0.477	49%	0.492	S	S	.	.			trans	-96.6	124.5	-173.1	-56.6	171	0	0	0	109.4	Q782 I790	Q782-I784 WeakPolarHBondContact O-CG1 3.29Å; Q782-I784 PolarHBondContact O-N 3.29Å; Q782-I784 VanDerWaalsContact O-N 3.11Å; I784-I790 HydrophobicContact CD1-CD1 3.64Å; I784-I790 HydrophobicContact CG1-CD1 4.4Å; I784-I790 HydrophobicContact CG2-CD1 3.75Å
785	T	36.2	Very low	46.6	Very low	127 Å²	127	89.6 Å²	89.6	78%	0.779	50%	0.498	S	S	*	.	S	Bend	trans	-88.9	1	-167.1	45.9	0	0	0	0	116
786	C	39.9	Very low	47.3	Very low	56 Å²	56	85 Å²	85	38%	0.378	48%	0.477	S	S	.	.			trans	-164.9	131.8	163.1	-158.2	0	0	0	0	111.8	S788	C786-S788 PolarHBondContact O-N 3.27Å; C786-S788 PolarHBondContact SG-OG 3.36Å
787	A	37	Very low	48.8	Very low	81 Å²	81	81.8 Å²	81.8	67%	0.669	46%	0.455	S	S	*	.	H	α-helix	trans	-67.4	-11.1	176.4	0	0	0	0	0	113.7
788	S	42.6	Very low	50.7	Low	20 Å²	20	77.5 Å²	77.5	14%	0.14	44%	0.435	C	S	.	.	H	α-helix	trans	-75	-31.2	-179.4	57.5	0	0	0	0	114.4	N355 C786	N355-S788 PolarHBondContact ND2-OG 3.32Å; C786-S788 PolarHBondContact O-N 3.27Å; C786-S788 PolarHBondContact SG-OG 3.36Å
789	D	42.1	Very low	52.7	Low	38 Å²	38	73.6 Å²	73.6	20%	0.203	41%	0.407	C	S	.	.	H	α-helix	trans	-77.8	-47.7	-166	-75.5	-17.7	0	0	0	113.8	N355 K359 W791 S792	N355-D789 WeakPolarHBondContact CB-OD1 3.39Å; N355-D789 PolarHBondContact ND2-OD1 2.84Å; K359-D789 VanDerWaalsContact CE-OD2 3.32Å; K359-D789 WeakPolarHBondContact CE-OD2 3.32Å; K359-D789 IonicContact NZ-OD2 2.68Å; K359-D789 PolarHBondContact NZ-OD2 3.3Å; D789-W791 VanDerWaalsContact C-N 3.34Å; D789-S792 PolarHBondContact O-OG 2.92Å
790	I	45.9	Very low	54.9	Low	76 Å²	76	73.8 Å²	73.8	39%	0.39	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-37.2	-176.8	-63.2	173.1	0	0	0	110.7	I784 S792 H793 D794	I784-I790 HydrophobicContact CD1-CD1 3.64Å; I784-I790 HydrophobicContact CG1-CD1 4.4Å; I784-I790 HydrophobicContact CG2-CD1 3.75Å; I790-S792 PolarHBondContact O-N 2.93Å; I790-H793 PolarHBondContact O-N 3.39Å; I790-D794 PolarHBondContact O-N 2.79Å; I790-D794 VanDerWaalsContact O-N 3.1Å
791	W	50	Low	57.5	Low	70 Å²	70	65.3 Å²	65.3	27%	0.265	36%	0.357	S	S	.	.	H	α-helix	trans	-69.3	-35.4	-175.3	-82.2	86.9	0	0	0	113.4	L599 D789 H793 D794 V795	L599-W791 HydrophobicContact CD1-CH2 3.49Å; L599-W791 VanDerWaalsContact CD1-CH2 3.49Å; L599-W791 HydrophobicContact CD1-CZ2 4.32Å; L599-W791 HydrophobicContact CD1-CZ3 3.95Å; D789-W791 VanDerWaalsContact C-N 3.34Å; W791-H793 VanDerWaalsContact C-N 3.33Å; W791-H793 PolarHBondContact O-N 2.87Å; W791-D794 PolarHBondContact O-N 3.44Å; W791-V795 HydrophobicContact CE3-CG2 4.29Å; W791-V795 VanDerWaalsContact O-CB 3.27Å; W791-V795 WeakPolarHBondContact O-CB 3.17Å; W791-V795 WeakPolarHBondContact O-CG2 2.74Å; W791-V795 PolarHBondContact O-N 3.45Å
792	S	56.6	Low	60.4	Low	24 Å²	24	63.4 Å²	63.4	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-41	179.2	80.3	0	0	0	0	111.2	M348 D789 I790 M796	M348-S792 VanDerWaalsContact CE-O 3.29Å; M348-S792 WeakPolarHBondContact CE-O 3.44Å; D789-S792 PolarHBondContact O-OG 2.92Å; I790-S792 PolarHBondContact O-N 2.93Å; S792-M796 WeakPolarHBondContact O-CG 3.41Å; S792-M796 PolarHBondContact O-N 3.11Å
793	H	58.2	Low	63.4	Low	136 Å²	136	55.9 Å²	55.9	63%	0.63	30%	0.303	S	S	*	.	H	α-helix	trans	-72	-45.2	177.1	-176.6	-86.4	0	0	0	112.5	I790 W791 M796 A797	I790-H793 PolarHBondContact O-N 3.39Å; W791-H793 VanDerWaalsContact C-N 3.33Å; W791-H793 PolarHBondContact O-N 2.87Å; H793-M796 PolarHBondContact O-N 3.21Å; H793-A797 PolarHBondContact O-N 3.26Å
794	D	67.9	Low	66.1	Low	40 Å²	40	48.4 Å²	48.4	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-40.1	-178.3	-74.6	-9.5	0	0	0	112.4	I790 W791 A797 Q798	I790-D794 PolarHBondContact O-N 2.79Å; I790-D794 VanDerWaalsContact O-N 3.1Å; W791-D794 PolarHBondContact O-N 3.44Å; D794-A797 PolarHBondContact O-N 3.05Å; D794-Q798 VanDerWaalsContact O-CD 3.29Å; D794-Q798 WeakPolarHBondContact O-CG 3.45Å; D794-Q798 PolarHBondContact O-N 3.01Å
795	V	74.3	Confident	69.1	Low	40 Å²	40	44 Å²	44	24%	0.242	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-44.7	175.1	166.6	0	0	0	0	110.5	P768 W791 A797 Q798 V799	P768-V795 HydrophobicContact CG-CG1 3.88Å; W791-V795 HydrophobicContact CE3-CG2 4.29Å; W791-V795 VanDerWaalsContact O-CB 3.27Å; W791-V795 WeakPolarHBondContact O-CB 3.17Å; W791-V795 WeakPolarHBondContact O-CG2 2.74Å; W791-V795 PolarHBondContact O-N 3.45Å; V795-A797 VanDerWaalsContact C-N 3.35Å; V795-A797 PolarHBondContact O-N 3.4Å; V795-Q798 WeakPolarHBondContact O-CB 3.26Å; V795-Q798 PolarHBondContact O-N 3.45Å; V795-Q798 VanDerWaalsContact O-N 3.15Å; V795-V799 HydrophobicContact CG1-CG2 4.45Å; V795-V799 WeakPolarHBondContact O-CG2 3.39Å; V795-V799 PolarHBondContact O-N 3.47Å
796	M	75.6	Confident	71.8	Confident	41 Å²	41	38.1 Å²	38.1	20%	0.202	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-40.3	178	-73.9	-58.7	-63.7	0	0	112.6	M348 S792 H793 Q798 V799 Q800	M348-M796 HydrophobicContact CE-CG 3.86Å; S792-M796 WeakPolarHBondContact O-CG 3.41Å; S792-M796 PolarHBondContact O-N 3.11Å; H793-M796 PolarHBondContact O-N 3.21Å; M796-Q798 VanDerWaalsContact C-N 3.32Å; M796-Q798 PolarHBondContact O-N 3.06Å; M796-V799 PolarHBondContact O-N 3.43Å; M796-Q800 WeakPolarHBondContact O-CB 3.21Å; M796-Q800 VanDerWaalsContact O-CG 3.28Å; M796-Q800 WeakPolarHBondContact O-CG 3.39Å; M796-Q800 PolarHBondContact O-N 3.45Å
797	A	83.3	Confident	74.3	Confident	10 Å²	10	41.7 Å²	41.7	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-40.2	174.4	0	0	0	0	0	111.5	M708 H793 D794 V795 Q800 V801	M708-A797 HydrophobicContact SD-CB 3.46Å; M708-A797 WeakPolarHBondContact SD-CB 3.28Å; H793-A797 PolarHBondContact O-N 3.26Å; D794-A797 PolarHBondContact O-N 3.05Å; V795-A797 VanDerWaalsContact C-N 3.35Å; V795-A797 PolarHBondContact O-N 3.4Å; A797-Q800 PolarHBondContact O-N 3.16Å; A797-V801 VanDerWaalsContact O-CG2 3.27Å; A797-V801 WeakPolarHBondContact O-CG2 3.45Å; A797-V801 PolarHBondContact O-N 2.9Å
798	Q	88.4	Confident	76.7	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-43.2	174.2	-64.3	157.6	8	0	0	112.1	Y704 M708 P768 L771 D794 V795 M796 V801 L802	Y704-Q798 HydrophobicContact CE2-CG 4.07Å; Y704-Q798 PolarHBondContact OH-NE2 3.29Å; Y704-Q798 VanDerWaalsContact OH-NE2 3.13Å; M708-Q798 HydrophobicContact CE-CG 3.99Å; M708-Q798 HydrophobicContact SD-CG 4.46Å; P768-Q798 VanDerWaalsContact CA-OE1 3.31Å; L771-Q798 HydrophobicContact CB-CB 4.12Å; L771-Q798 HydrophobicContact CB-CG 3.76Å; L771-Q798 HydrophobicContact CD1-CB 4.38Å; D794-Q798 VanDerWaalsContact O-CD 3.29Å; D794-Q798 WeakPolarHBondContact O-CG 3.45Å; D794-Q798 PolarHBondContact O-N 3.01Å; V795-Q798 WeakPolarHBondContact O-CB 3.26Å; V795-Q798 PolarHBondContact O-N 3.45Å; V795-Q798 VanDerWaalsContact O-N 3.15Å; M796-Q798 VanDerWaalsContact C-N 3.32Å; M796-Q798 PolarHBondContact O-N 3.06Å; Q798-V801 PolarHBondContact O-N 3.41Å; Q798-L802 PolarHBondContact O-N 3.34Å
799	V	89.3	Confident	78.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.8	174.3	0	0	0	0	110.5	A763 V795 M796 V801 L802 L803	A763-V799 HydrophobicContact CB-CG1 3.86Å; V795-V799 HydrophobicContact CG1-CG2 4.45Å; V795-V799 WeakPolarHBondContact O-CG2 3.39Å; V795-V799 PolarHBondContact O-N 3.47Å; M796-V799 PolarHBondContact O-N 3.43Å; V799-V801 PolarHBondContact O-N 3.37Å; V799-L802 PolarHBondContact O-N 3.01Å; V799-L803 VanDerWaalsContact O-CB 3.25Å; V799-L803 WeakPolarHBondContact O-CB 3.35Å; V799-L803 PolarHBondContact O-N 3.19Å
800	Q	89.8	Confident	80.3	Confident	92 Å²	92	46.7 Å²	46.7	43%	0.43	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-39.5	179.4	-73.1	177.7	0.7	0	0	112.7	I711 M796 A797 L802 L803 Y804	I711-Q800 HydrophobicContact CD1-CB 4.3Å; I711-Q800 HydrophobicContact CG1-CB 3.7Å; M796-Q800 WeakPolarHBondContact O-CB 3.21Å; M796-Q800 VanDerWaalsContact O-CG 3.28Å; M796-Q800 WeakPolarHBondContact O-CG 3.39Å; M796-Q800 PolarHBondContact O-N 3.45Å; A797-Q800 PolarHBondContact O-N 3.16Å; Q800-L802 PolarHBondContact O-N 3.46Å; Q800-L803 PolarHBondContact O-N 3.26Å; Q800-Y804 WeakPolarHBondContact O-CB 3.36Å; Q800-Y804 PolarHBondContact O-N 2.93Å
801	V	94.2	Very high	81.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-48.1	175.2	166.4	0	0	0	0	110.6	F707 M708 I711 M723 L771 A797 Q798 V799 Y804 Y805	F707-V801 HydrophobicContact CB-CG1 4.32Å; F707-V801 HydrophobicContact CB-CG2 4.09Å; F707-V801 HydrophobicContact CD1-CG1 3.83Å; F707-V801 HydrophobicContact CE1-CG1 4.47Å; F707-V801 HydrophobicContact CG-CG1 4.25Å; M708-V801 HydrophobicContact CE-CG2 4.16Å; I711-V801 HydrophobicContact CB-CG2 3.83Å; I711-V801 HydrophobicContact CG1-CG2 4.25Å; I711-V801 HydrophobicContact CG2-CG2 3.83Å; M723-V801 HydrophobicContact CE-CB 4.41Å; M723-V801 HydrophobicContact CE-CG1 4.01Å; M723-V801 HydrophobicContact CE-CG2 4.32Å; L771-V801 HydrophobicContact CD1-CB 4.18Å; L771-V801 HydrophobicContact CD1-CG1 3.86Å; L771-V801 HydrophobicContact CD2-CG1 4Å; A797-V801 VanDerWaalsContact O-CG2 3.27Å; A797-V801 WeakPolarHBondContact O-CG2 3.45Å; A797-V801 PolarHBondContact O-N 2.9Å; Q798-V801 PolarHBondContact O-N 3.41Å; V799-V801 PolarHBondContact O-N 3.37Å; V801-Y804 WeakPolarHBondContact O-CB 3.41Å; V801-Y805 HydrophobicContact CG1-CD2 4.5Å; V801-Y805 HydrophobicContact CG1-CE2 4.11Å; V801-Y805 WeakPolarHBondContact O-CD2 3.34Å
802	L	95.6	Very high	83	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-43.4	179.1	-179.5	56.4	0	0	0	111.7	F738 L742 A763 F766 L770 Q798 V799 Q800 Y804 Y805 L806	F738-L802 HydrophobicContact CE2-CD1 3.79Å; F738-L802 HydrophobicContact CZ-CD1 4.01Å; L742-L802 HydrophobicContact CD2-CD1 3.71Å; A763-L802 HydrophobicContact CB-CB 4.38Å; A763-L802 HydrophobicContact CB-CD2 4.47Å; A763-L802 HydrophobicContact CB-CG 4.33Å; F766-L802 HydrophobicContact CB-CD2 3.36Å; L770-L802 HydrophobicContact CD1-CD1 4.29Å; L770-L802 HydrophobicContact CD1-CD2 4.21Å; Q798-L802 PolarHBondContact O-N 3.34Å; V799-L802 PolarHBondContact O-N 3.01Å; Q800-L802 PolarHBondContact O-N 3.46Å; L802-Y804 VanDerWaalsContact C-N 3.27Å; L802-Y804 PolarHBondContact O-N 3.09Å; L802-Y805 PolarHBondContact O-N 3.03Å; L802-L806 HydrophobicContact CD1-CD1 4.43Å; L802-L806 HydrophobicContact CD1-CG 4.34Å; L802-L806 HydrophobicContact CG-CD1 4.01Å; L802-L806 HydrophobicContact CG-CG 4.4Å; L802-L806 WeakPolarHBondContact O-CG 3.48Å; L802-L806 PolarHBondContact O-N 3.4Å
803	L	93.6	Very high	83.7	Confident	27 Å²	27	43.9 Å²	43.9	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-39.7	178	-176.8	59.5	0	0	0	111.8	L759 H760 A763 V799 Q800 Y805 L806 Q807	L759-L803 HydrophobicContact CB-CD1 3.97Å; H760-L803 HydrophobicContact CB-CD1 4.48Å; A763-L803 HydrophobicContact CB-CB 3.92Å; A763-L803 HydrophobicContact CB-CD1 4.45Å; V799-L803 VanDerWaalsContact O-CB 3.25Å; V799-L803 WeakPolarHBondContact O-CB 3.35Å; V799-L803 PolarHBondContact O-N 3.19Å; Q800-L803 PolarHBondContact O-N 3.26Å; L803-Y805 PolarHBondContact O-N 2.94Å; L803-L806 WeakPolarHBondContact O-CB 3.37Å; L803-L806 PolarHBondContact O-N 2.96Å; L803-Q807 HydrophobicContact CD1-CG 4.08Å; L803-Q807 HydrophobicContact CG-CG 4.35Å; L803-Q807 WeakPolarHBondContact O-CG 3.32Å; L803-Q807 PolarHBondContact O-N 3.07Å
804	Y	94.4	Very high	84.2	Confident	42 Å²	42	40.2 Å²	40.2	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-55	-49.8	176	177	-90.6	0	0	0	111.8	I711 K719 E720 M723 Q800 V801 L802 Q807 H808	I711-Y804 HydrophobicContact CD1-CD2 4.32Å; I711-Y804 HydrophobicContact CD1-CG 4.29Å; K719-Y804 HydrophobicContact CD-CD2 4.37Å; K719-Y804 HydrophobicContact CD-CE2 4.17Å; K719-Y804 HydrophobicContact CG-CE2 4.23Å; E720-Y804 VanDerWaalsContact CA-OH 3.28Å; E720-Y804 WeakPolarHBondContact CA-OH 3.45Å; M723-Y804 HydrophobicContact CB-CD1 3.96Å; M723-Y804 HydrophobicContact CB-CE1 3.42Å; M723-Y804 VanDerWaalsContact CB-CE1 3.42Å; M723-Y804 HydrophobicContact CE-CD1 3.78Å; M723-Y804 HydrophobicContact CE-CE1 4.45Å; M723-Y804 HydrophobicContact CE-CG 4.2Å; M723-Y804 HydrophobicContact CG-CD1 4.03Å; M723-Y804 HydrophobicContact CG-CE1 3.81Å; Q800-Y804 WeakPolarHBondContact O-CB 3.36Å; Q800-Y804 PolarHBondContact O-N 2.93Å; V801-Y804 WeakPolarHBondContact O-CB 3.41Å; L802-Y804 VanDerWaalsContact C-N 3.27Å; L802-Y804 PolarHBondContact O-N 3.09Å; Y804-Q807 PolarHBondContact O-N 3.22Å; Y804-H808 PolarHBondContact O-N 2.85Å; Y804-H808 VanDerWaalsContact O-N 3.12Å
805	Y	95.3	Very high	84.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-71.3	-30.6	178.4	-66.7	-62.8	0	0	0	113.5	F707 M723 L727 F738 K746 V801 L802 L803 H808 I811	F707-Y805 HydrophobicContact CE1-CE2 4.02Å; F707-Y805 WeakPolarHBondContact CE1-OH 3.4Å; M723-Y805 VanDerWaalsContact C-OH 3.31Å; M723-Y805 HydrophobicContact CB-CE1 4.33Å; M723-Y805 HydrophobicContact CE-CD2 4.43Å; M723-Y805 HydrophobicContact CE-CE2 3.62Å; M723-Y805 PolarHBondContact O-OH 3.25Å; L727-Y805 HydrophobicContact CB-CE1 4.17Å; L727-Y805 HydrophobicContact CD1-CE1 4.43Å; L727-Y805 HydrophobicContact CD2-CD1 4.32Å; L727-Y805 HydrophobicContact CD2-CE1 4.08Å; L727-Y805 HydrophobicContact CG-CE1 4.48Å; F738-Y805 AromaticContact CE1-CD2 3.99Å; F738-Y805 HydrophobicContact CE1-CD2 3.99Å; F738-Y805 HydrophobicContact CE1-CE2 4.44Å; F738-Y805 HydrophobicContact CE1-CG 4.24Å; F738-Y805 AromaticContact CZ-CD2 3.9Å; F738-Y805 HydrophobicContact CZ-CD2 3.9Å; F738-Y805 HydrophobicContact CZ-CG 4.36Å; K746-Y805 PolarHBondContact NZ-O 2.9Å; V801-Y805 HydrophobicContact CG1-CD2 4.5Å; V801-Y805 HydrophobicContact CG1-CE2 4.11Å; V801-Y805 WeakPolarHBondContact O-CD2 3.34Å; L802-Y805 PolarHBondContact O-N 3.03Å; L803-Y805 PolarHBondContact O-N 2.94Å; Y805-H808 PolarHBondContact O-N 3.4Å; Y805-I811 HydrophobicContact CD1-CD1 4.16Å
806	L	94	Very high	84.1	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-38.1	174.6	-80.4	176.3	0	0	0	111.9	L742 L745 K746 L759 A763 L802 L803	L742-L806 HydrophobicContact CD2-CD2 3.68Å; L742-L806 HydrophobicContact CD2-CG 3.86Å; L745-L806 HydrophobicContact CB-CD2 3.77Å; L745-L806 HydrophobicContact CD1-CD2 4.43Å; K746-L806 WeakPolarHBondContact CE-O 3.34Å; K746-L806 HydrophobicContact CG-CD2 4.08Å; K746-L806 PolarHBondContact NZ-O 3.41Å; L759-L806 HydrophobicContact CD2-CB 4.11Å; L759-L806 HydrophobicContact CD2-CD2 4.27Å; L759-L806 WeakPolarHBondContact O-CD1 3Å; A763-L806 HydrophobicContact CB-CD1 4.18Å; L802-L806 HydrophobicContact CD1-CD1 4.43Å; L802-L806 HydrophobicContact CD1-CG 4.34Å; L802-L806 HydrophobicContact CG-CD1 4.01Å; L802-L806 HydrophobicContact CG-CG 4.4Å; L802-L806 WeakPolarHBondContact O-CG 3.48Å; L802-L806 PolarHBondContact O-N 3.4Å; L803-L806 WeakPolarHBondContact O-CB 3.37Å; L803-L806 PolarHBondContact O-N 2.96Å
807	Q	92.1	Very high	83.6	Confident	131 Å²	131	45.2 Å²	45.2	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-77.6	-23.8	177.2	-70.9	174.8	-27	0	0	113.3	L759 L803 Y804	L759-Q807 HydrophobicContact CD1-CG 4.18Å; L803-Q807 HydrophobicContact CD1-CG 4.08Å; L803-Q807 HydrophobicContact CG-CG 4.35Å; L803-Q807 WeakPolarHBondContact O-CG 3.32Å; L803-Q807 PolarHBondContact O-N 3.07Å; Y804-Q807 PolarHBondContact O-N 3.22Å
808	H	87.6	Confident	82.4	Confident	44 Å²	44	53.5 Å²	53.5	20%	0.204	27%	0.272	C	S	.	.	S	Bend	trans	-64.1	147.1	177.8	-160.1	-78.6	0	0	0	111.5	K746 Y804 Y805 I811	K746-H808 PolarHBondContact NZ-O 3.19Å; Y804-H808 PolarHBondContact O-N 2.85Å; Y804-H808 VanDerWaalsContact O-N 3.12Å; Y805-H808 PolarHBondContact O-N 3.4Å; H808-I811 HydrophobicContact CB-CD1 4.43Å
809	P	82.8	Confident	80.7	Confident	89 Å²	89	57 Å²	57	58%	0.578	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-50.6	151.8	168.3	-29.2	34.2	0	0	0	112.6	I811	P809-I811 WeakPolarHBondContact O-CG1 3.44Å; P809-I811 PolarHBondContact O-N 3.07Å; P809-I811 VanDerWaalsContact O-N 3.12Å
810	P	78.6	Confident	78.7	Confident	112 Å²	112	60.6 Å²	60.6	73%	0.727	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-47.8	120.6	178.7	-27.4	34.6	0	0	0	111.6
811	I	79.1	Confident	76.4	Confident	24 Å²	24	63.3 Å²	63.3	12%	0.123	33%	0.33	C	S	.	.			trans	-94.7	107	-176.5	-55.8	173.8	0	0	0	107.4	M724 L727 L739 Y805 H808 P809 L816	M724-I811 HydrophobicContact CE-CD1 4.04Å; M724-I811 HydrophobicContact CE-CG1 4.43Å; M724-I811 HydrophobicContact CE-CG2 4.08Å; M724-I811 HydrophobicContact SD-CD1 3.95Å; L727-I811 HydrophobicContact CD2-CD1 3.65Å; L727-I811 HydrophobicContact CD2-CG2 4.09Å; L739-I811 HydrophobicContact CD2-CB 4.14Å; L739-I811 HydrophobicContact CD2-CG2 4.34Å; Y805-I811 HydrophobicContact CD1-CD1 4.16Å; H808-I811 HydrophobicContact CB-CD1 4.43Å; P809-I811 WeakPolarHBondContact O-CG1 3.44Å; P809-I811 PolarHBondContact O-N 3.07Å; P809-I811 VanDerWaalsContact O-N 3.12Å; I811-L816 HydrophobicContact CG2-CD1 3.53Å; I811-L816 HydrophobicContact CG2-CD2 3.73Å; I811-L816 HydrophobicContact CG2-CG 3.51Å
812	S	73.3	Confident	73.8	Confident	45 Å²	45	72.5 Å²	72.5	32%	0.315	37%	0.366	S	S	.	.			trans	-80.7	145.1	176.3	77.7	0	0	0	0	111.4	A814 E815 L816	S812-A814 PolarHBondContact O-N 2.92Å; S812-E815 VanDerWaalsContact CB-OE2 3.28Å; S812-E815 WeakPolarHBondContact CB-OE2 3.28Å; S812-E815 PolarHBondContact N-OE2 2.97Å; S812-E815 PolarHBondContact O-N 3.05Å; S812-E815 WeakPolarHBondContact OG-CB 3.24Å; S812-E815 WeakPolarHBondContact OG-CG 3.46Å; S812-E815 PolarHBondContact OG-N 3.47Å; S812-E815 VanDerWaalsContact OG-N 3.11Å; S812-E815 PolarHBondContact OG-OE2 2.86Å; S812-L816 PolarHBondContact O-N 2.87Å; S812-L816 VanDerWaalsContact O-N 3.13Å
813	F	71.4	Confident	71.1	Confident	42 Å²	42	80.2 Å²	80.2	18%	0.184	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-32.8	172.8	-178.1	-101.1	0	0	0	112.3	L735 M736 L739 L816 K817	L735-F813 HydrophobicContact CD2-CD2 4.15Å; L735-F813 HydrophobicContact CD2-CE2 4.11Å; M736-F813 HydrophobicContact CG-CD2 4.41Å; M736-F813 HydrophobicContact CG-CE2 4.38Å; M736-F813 HydrophobicContact SD-CB 3.94Å; M736-F813 HydrophobicContact SD-CD1 4.25Å; M736-F813 HydrophobicContact SD-CD2 3.26Å; M736-F813 WeakPolarHBondContact SD-CD2 3.48Å; M736-F813 HydrophobicContact SD-CE2 3.71Å; M736-F813 HydrophobicContact SD-CG 3.56Å; M736-F813 VanDerWaalsContact SD-CG 3.56Å; M736-F813 HydrophobicContact SD-CZ 4.35Å; L739-F813 HydrophobicContact CD1-CB 4.38Å; F813-L816 PolarHBondContact O-N 3.42Å; F813-K817 HydrophobicContact CE1-CD 3.79Å; F813-K817 HydrophobicContact CE1-CG 4.29Å; F813-K817 HydrophobicContact CZ-CD 3.94Å; F813-K817 HydrophobicContact CZ-CG 4.3Å; F813-K817 PolarHBondContact O-N 3.36Å; F813-K817 VanDerWaalsContact O-N 3.12Å
814	A	67.4	Low	68.2	Low	59 Å²	59	84 Å²	84	49%	0.488	43%	0.428	S	S	.	.	H	α-helix	trans	-67.3	-38.9	178.7	0	0	0	0	0	112.3	S812 K817 R818	S812-A814 PolarHBondContact O-N 2.92Å; A814-K817 PolarHBondContact O-N 3.5Å; A814-R818 PolarHBondContact O-N 3.47Å
815	E	69.7	Low	65.2	Low	104 Å²	104	87.4 Å²	87.4	49%	0.486	45%	0.454	S	S	.	.	H	α-helix	trans	-68.9	-40.9	175.2	-73.3	155.6	163.8	0	0	111.8	S812 K817 R818 N819	S812-E815 VanDerWaalsContact CB-OE2 3.28Å; S812-E815 WeakPolarHBondContact CB-OE2 3.28Å; S812-E815 PolarHBondContact N-OE2 2.97Å; S812-E815 PolarHBondContact O-N 3.05Å; S812-E815 WeakPolarHBondContact OG-CB 3.24Å; S812-E815 WeakPolarHBondContact OG-CG 3.46Å; S812-E815 PolarHBondContact OG-N 3.47Å; S812-E815 VanDerWaalsContact OG-N 3.11Å; S812-E815 PolarHBondContact OG-OE2 2.86Å; E815-K817 VanDerWaalsContact C-N 3.28Å; E815-K817 PolarHBondContact O-N 3Å; E815-R818 PolarHBondContact O-N 3.5Å; E815-N819 PolarHBondContact O-N 2.94Å
816	L	71	Confident	62.3	Low	6 Å²	6	95.4 Å²	95.4	3%	0.031	50%	0.496	C	S	.	.	H	α-helix	trans	-61.6	-36.3	176.2	-72.2	172.3	0	0	0	112.5	M724 L727 R728 L735 L739 I811 S812 F813 T820	M724-L816 HydrophobicContact CE-CD2 3.73Å; L727-L816 HydrophobicContact CD2-CD1 4.07Å; L727-L816 HydrophobicContact CD2-CD2 4.23Å; L727-L816 HydrophobicContact CG-CD1 4.39Å; R728-L816 HydrophobicContact CG-CB 4.47Å; R728-L816 HydrophobicContact CG-CD2 3.81Å; L735-L816 HydrophobicContact CD1-CD1 4.12Å; L735-L816 HydrophobicContact CD2-CD1 4.33Å; L739-L816 HydrophobicContact CD1-CD1 4.03Å; I811-L816 HydrophobicContact CG2-CD1 3.53Å; I811-L816 HydrophobicContact CG2-CD2 3.73Å; I811-L816 HydrophobicContact CG2-CG 3.51Å; S812-L816 PolarHBondContact O-N 2.87Å; S812-L816 VanDerWaalsContact O-N 3.13Å; F813-L816 PolarHBondContact O-N 3.42Å; L816-T820 PolarHBondContact O-OG1 3.47Å; L816-T820 VanDerWaalsContact O-OG1 3.07Å
817	K	65.4	Low	59.3	Low	116 Å²	116	105.3 Å²	105.3	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-78.6	-30.5	175.5	-90.6	-160.9	173	-172.8	0	114.8	F813 A814 E815 N819 T820	F813-K817 HydrophobicContact CE1-CD 3.79Å; F813-K817 HydrophobicContact CE1-CG 4.29Å; F813-K817 HydrophobicContact CZ-CD 3.94Å; F813-K817 HydrophobicContact CZ-CG 4.3Å; F813-K817 PolarHBondContact O-N 3.36Å; F813-K817 VanDerWaalsContact O-N 3.12Å; A814-K817 PolarHBondContact O-N 3.5Å; E815-K817 VanDerWaalsContact C-N 3.28Å; E815-K817 PolarHBondContact O-N 3Å; K817-N819 VanDerWaalsContact C-N 3.33Å; K817-T820 VanDerWaalsContact CA-OG1 3.32Å; K817-T820 WeakPolarHBondContact CA-OG1 3.18Å; K817-T820 PolarHBondContact O-OG1 3.46Å
818	R	57.6	Low	57.7	Low	184 Å²	184	104 Å²	104	69%	0.694	55%	0.554	S	S	*	*	H	α-helix	trans	-66.3	-37.2	176	-92.8	-175.1	178	139.4	-1.2	112	A814 E815	A814-R818 PolarHBondContact O-N 3.47Å; E815-R818 PolarHBondContact O-N 3.5Å
819	N	52.4	Low	56.1	Low	76 Å²	76	107.2 Å²	107.2	41%	0.406	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-83.3	-8.2	-176.9	-69.6	-9.8	0	0	0	114.2	E815 K817 L821 Y822	E815-N819 PolarHBondContact O-N 2.94Å; K817-N819 VanDerWaalsContact C-N 3.33Å; N819-L821 VanDerWaalsContact C-N 3.27Å; N819-L821 PolarHBondContact O-N 3.47Å; N819-Y822 PolarHBondContact O-N 3.36Å
820	T	47.9	Very low	54.6	Low	76 Å²	76	108.2 Å²	108.2	47%	0.466	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-73	-20.9	174.1	0.8	0	0	0	0	112.6	L816 K817 Y822	L816-T820 PolarHBondContact O-OG1 3.47Å; L816-T820 VanDerWaalsContact O-OG1 3.07Å; K817-T820 VanDerWaalsContact CA-OG1 3.32Å; K817-T820 WeakPolarHBondContact CA-OG1 3.18Å; K817-T820 PolarHBondContact O-OG1 3.46Å; T820-Y822 VanDerWaalsContact C-N 3.29Å; T820-Y822 PolarHBondContact O-N 3.48Å
821	L	40.9	Very low	53.2	Low	149 Å²	149	107.9 Å²	107.9	78%	0.78	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-75.9	-13.5	176.5	-82.7	153.3	0	0	0	113.8	N819	N819-L821 VanDerWaalsContact C-N 3.27Å; N819-L821 PolarHBondContact O-N 3.47Å
822	Y	40.1	Very low	51.6	Low	193 Å²	193	113.2 Å²	113.2	76%	0.757	59%	0.59	S	S	*	*	S	Bend	trans	-103.6	-6.1	-176.8	-74.6	-78.9	0	0	0	114.6	N819 T820	N819-Y822 PolarHBondContact O-N 3.36Å; T820-Y822 VanDerWaalsContact C-N 3.29Å; T820-Y822 PolarHBondContact O-N 3.48Å
823	F	37.5	Very low	50.2	Low	162 Å²	162	117.7 Å²	117.7	71%	0.711	61%	0.608	S	S	*	*			trans	-125.3	24.3	-177.8	-72.5	-79.5	0	0	0	113.8	T825	F823-T825 PolarHBondContact O-N 3.18Å
824	S	33	Very low	48.6	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	64%	0.639	S	S	*	*			trans	-83.6	73.1	162.1	-176.8	0	0	0	0	109.3
825	T	32.4	Very low	47.2	Very low	114 Å²	114	128.1 Å²	128.1	70%	0.699	65%	0.65	S	S	*	*			trans	-123.6	112.6	155.9	44.9	0	0	0	0	106.7	F823 V827	F823-T825 PolarHBondContact O-N 3.18Å; T825-V827 PolarHBondContact O-N 3.27Å
826	D	34.5	Very low	45.3	Very low	167 Å²	167	130.1 Å²	130.1	89%	0.893	66%	0.664	S	S	*	*			trans	-42	122.7	167.7	-67.3	-50.9	0	0	0	110.4
827	V	31	Very low	43	Very low	212 Å²	212	141.4 Å²	141.4	100%	1.285	72%	0.722	S	S	*	*			trans	-138.8	0	154.6	-174.3	0	0	0	0	108.1	T825	T825-V827 PolarHBondContact O-N 3.27Å

Retrieved 827 of 827 residues in 613.7 ms (Link to these results)

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