A0A3Q0KSF7_SCHMA Loading...

Putative aryl hydrocarbon receptor

AlphaFold DB , UniProt , Accession A0A3Q0KSF7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,217 aa.

						>A0A3Q0KSF7_SCHMA|A0A3Q0KSF7
MVDDWVIKTMYATKRRRKNPKSNKPTCSAVIQPDHNVKSNPSKRHRERLNSELEHLASLLPFEQNVIVKLDKLSILRLAVSYLRIKCYFHALSFDRIITENRLVSHLYHCPFDLNRIEGEACLQALNGFIFIMSCDGEVFSVSKTVEHYLGFHQADILHQSVLELIHSEDREEFRRQLSWRSMLPPEFHSSTLHDLMTPETAHYLKRQFTVRFRCLLDNTSGFITLELSGRLQFLHGQARSMQLSVNSEQANSCTNQNISNKYNTSCSYTVSTSNQHNLPPLGFFAVCSPLGPLPSLNGPQRDATFKTKHQLDLTVITIDARARLIFNYSDSDLQNFKVYDLVHPDDLRYVAKGHKELFKVGSLGLLVHRWLNKQSQWIWLQSRIKLIMKNGKQDHIIVIHRQLSNEEGMELLIRRTDEYKLPFPLLEPETLLNGEELTTCNNNLHMDINSSFPIGQMKNFDHHHILGSNDQKLYGANVKSDDKINLSSKHTPEHFSSFDISGRVHSRHSTDIINNCIQMERGITRSTTNNYGDDFHLSGLDTNLLEHCLNKSVKQSKVTSATVLRRKRTMKEITKSEVNKCKLNHRGSCTTACTYVSNAQTPGQINYGTNICQSTYLPLGFNQTLSRDSEAFYRNPYLCWPRNTNMATSENINSNGSDNSEHIPQLNSSKVGLFMINSHYSSQDLNEFNMQDYCTARNYPTAYDAYSAAVAAAAVVAAATNSCNQKHQSQNHHNVSLPQQYQSQQTLDQEIRHYRQHGLNSSHFLTNTNESNTLRFQQTLNDPSIFDLQRRQQHSQIEYNSSLIKQQAIVSSSIQSPLNNCTSYILSNHYFPQEQPINIQSLSKACIQSNGSYTKEFLKPRHSDSLNSLHQSQIEIEVENNNSNISDNNNSCNKLGQSVSSYTSMNVSHLFSEDDYRNESTYEQKDTSANMYLQHNVEQGIIYANPIIDKESSSTYSSYSSPPNLISPHNTEIGLEPDSVISQHQQRQIQSSTMVRINSQFVDPNNNSSNSSKCSQFYDSNCSTSNWTINPSHTNYNQVTEYHSNECLSDVDCGNYYCNPRVLSLAMSMDSSNSSESPTSHDTCIGQQDNKLLKTGAENDIFPHKTNKSGSRSFRMQANDSSKVEMPLFSEIDFGDQKEDLSNSHILGVKRSKYDSTTRWDDHHYDDSKSTAIPVPVVCSGSLNIVSEESSQTNSVNTSEIHATLSDYRERLLSAI
					

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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	43.9	Very low	48.2	Very low	195 Å²	195	106.2 Å²	106.2	96%	0.961	53%	0.525	S	S	*	.				0	-19.5	0	-88.8	-179.2	82.8	0	0	110.7
2	V	40.8	Very low	47.9	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.558	54%	0.535	S	S	*	.	H	α-helix	trans	-83.4	0	174.5	178.3	0	0	0	0	109.7	V6	V2-V6 HydrophobicContact CG1-CG2 4.36Å; V2-V6 WeakPolarHBondContact O-CB 3.21Å; V2-V6 WeakPolarHBondContact O-CG2 2.9Å; V2-V6 PolarHBondContact O-N 3.29Å; V2-V6 VanDerWaalsContact O-N 3.16Å
3	D	44.9	Very low	47.7	Very low	122 Å²	122	104.8 Å²	104.8	65%	0.652	55%	0.548	S	S	*	.	H	α-helix		0	-28	0	-76.2	-26.4	0	0	0	110.8	I7	D3-I7 HydrophobicContact CB-CD1 4.46Å; D3-I7 WeakPolarHBondContact O-CB 2.94Å; D3-I7 WeakPolarHBondContact O-CD1 3.42Å; D3-I7 WeakPolarHBondContact O-CG1 3.18Å; D3-I7 PolarHBondContact O-N 3.12Å
4	D	46.6	Very low	47.6	Very low	119 Å²	119	103.4 Å²	103.4	64%	0.636	54%	0.536	S	S	*	.	H	α-helix	trans	-80	-25.3	-178.1	-105.8	8.2	0	0	0	110.7	I7 K8	D4-I7 PolarHBondContact O-N 3.45Å; D4-K8 VanDerWaalsContact O-CB 3.23Å; D4-K8 WeakPolarHBondContact O-CB 3.18Å; D4-K8 PolarHBondContact O-N 3.16Å
5	W	50	Low	47.4	Very low	86 Å²	86	110.7 Å²	110.7	33%	0.326	55%	0.554	S	S	.	*	H	α-helix	trans	-84.9	0	179.6	179.5	81.2	0	0	0	110.4	I7 K8 T9 R214	W5-I7 PolarHBondContact O-N 3.35Å; W5-K8 VanDerWaalsContact C-N 3.3Å; W5-K8 CarbonylContact O-C 3.46Å; W5-K8 WeakPolarHBondContact O-CA 2.98Å; W5-K8 PolarHBondContact O-N 3.14Å; W5-T9 HydrophobicContact CD2-CG2 3.78Å; W5-T9 HydrophobicContact CE3-CG2 4.48Å; W5-T9 HydrophobicContact CG-CG2 4.17Å; W5-T9 HydrophobicContact CH2-CG2 4.12Å; W5-T9 HydrophobicContact CZ2-CG2 3.39Å; W5-T9 WeakPolarHBondContact O-CA 3.14Å; W5-T9 VanDerWaalsContact O-CB 3.23Å; W5-T9 WeakPolarHBondContact O-CB 3.1Å; W5-T9 PolarHBondContact O-N 3.25Å; W5-T9 PolarHBondContact O-OG1 3.47Å; W5-R214 CovalentContact CE3-NH2 1.68Å; W5-R214 VanDerWaalsContact CG-NH1 3.33Å; W5-R214 CovalentContact CZ3-CZ 1.71Å; W5-R214 CovalentContact CZ3-NH2 1.4Å
6	V	53.6	Low	47.3	Very low	49 Å²	49	117.6 Å²	117.6	30%	0.297	57%	0.571	S	S	.	*	H	α-helix		0	-29.1	0	172.5	0	0	0	0	109.8	V2 T9 M10	V2-V6 HydrophobicContact CG1-CG2 4.36Å; V2-V6 WeakPolarHBondContact O-CB 3.21Å; V2-V6 WeakPolarHBondContact O-CG2 2.9Å; V2-V6 PolarHBondContact O-N 3.29Å; V2-V6 VanDerWaalsContact O-N 3.16Å; V6-T9 WeakPolarHBondContact CA-OG1 3.27Å; V6-M10 HydrophobicContact CG1-CB 4.36Å; V6-M10 HydrophobicContact CG1-CE 3.48Å; V6-M10 VanDerWaalsContact CG1-CE 3.48Å; V6-M10 HydrophobicContact CG1-CG 4.18Å; V6-M10 HydrophobicContact CG1-SD 4.18Å; V6-M10 WeakPolarHBondContact O-CA 3.44Å; V6-M10 WeakPolarHBondContact O-CB 2.75Å; V6-M10 PolarHBondContact O-N 3.01Å
7	I	55.7	Low	47.1	Very low	73 Å²	73	119.1 Å²	119.1	37%	0.374	57%	0.569	S	S	.	*	H	α-helix	trans	-81	0	179.3	-70	173.3	0	0	0	109.2	D3 D4 W5 Y11	D3-I7 HydrophobicContact CB-CD1 4.46Å; D3-I7 WeakPolarHBondContact O-CB 2.94Å; D3-I7 WeakPolarHBondContact O-CD1 3.42Å; D3-I7 WeakPolarHBondContact O-CG1 3.18Å; D3-I7 PolarHBondContact O-N 3.12Å; D4-I7 PolarHBondContact O-N 3.45Å; W5-I7 PolarHBondContact O-N 3.35Å; I7-Y11 VanDerWaalsContact C-CD2 3.42Å; I7-Y11 HydrophobicContact CB-CD2 3.75Å; I7-Y11 HydrophobicContact CB-CE2 4.03Å; I7-Y11 HydrophobicContact CG1-CD2 4.41Å; I7-Y11 HydrophobicContact CG1-CE2 4.23Å; I7-Y11 HydrophobicContact CG2-CD2 2.91Å; I7-Y11 HydrophobicContact CG2-CE2 3.15Å; I7-Y11 HydrophobicContact CG2-CG 3.9Å; I7-Y11 WeakPolarHBondContact O-CA 3.1Å; I7-Y11 WeakPolarHBondContact O-CB 2.83Å; I7-Y11 WeakPolarHBondContact O-CD2 3.23Å; I7-Y11 PolarHBondContact O-N 3.26Å
8	K	55.5	Low	46.8	Very low	166 Å²	166	123.7 Å²	123.7	72%	0.722	59%	0.587	S	S	*	*	H	α-helix		0	0	0	-110.7	179.9	-176.9	-179.8	0	110.3	D4 W5 A12	D4-K8 VanDerWaalsContact O-CB 3.23Å; D4-K8 WeakPolarHBondContact O-CB 3.18Å; D4-K8 PolarHBondContact O-N 3.16Å; W5-K8 VanDerWaalsContact C-N 3.3Å; W5-K8 CarbonylContact O-C 3.46Å; W5-K8 WeakPolarHBondContact O-CA 2.98Å; W5-K8 PolarHBondContact O-N 3.14Å; K8-A12 WeakPolarHBondContact O-CB 3.49Å; K8-A12 PolarHBondContact O-N 3.48Å
9	T	54.3	Low	46.1	Very low	53 Å²	53	124.8 Å²	124.8	33%	0.325	60%	0.597	S	S	.	*	H	α-helix		0	0	0	35.8	0	0	0	0	109.5	W5 V6 T13	W5-T9 HydrophobicContact CD2-CG2 3.78Å; W5-T9 HydrophobicContact CE3-CG2 4.48Å; W5-T9 HydrophobicContact CG-CG2 4.17Å; W5-T9 HydrophobicContact CH2-CG2 4.12Å; W5-T9 HydrophobicContact CZ2-CG2 3.39Å; W5-T9 WeakPolarHBondContact O-CA 3.14Å; W5-T9 VanDerWaalsContact O-CB 3.23Å; W5-T9 WeakPolarHBondContact O-CB 3.1Å; W5-T9 PolarHBondContact O-N 3.25Å; W5-T9 PolarHBondContact O-OG1 3.47Å; V6-T9 WeakPolarHBondContact CA-OG1 3.27Å; T9-T13 PolarHBondContact O-OG1 3.06Å
10	M	45.7	Very low	45.9	Very low	86 Å²	86	124.5 Å²	124.5	42%	0.424	61%	0.605	S	S	.	*	H	α-helix		0	0	0	-105.7	-153.8	-31.5	0	0	110.9	V6 T13 K14	V6-M10 HydrophobicContact CG1-CB 4.36Å; V6-M10 HydrophobicContact CG1-CE 3.48Å; V6-M10 VanDerWaalsContact CG1-CE 3.48Å; V6-M10 HydrophobicContact CG1-CG 4.18Å; V6-M10 HydrophobicContact CG1-SD 4.18Å; V6-M10 WeakPolarHBondContact O-CA 3.44Å; V6-M10 WeakPolarHBondContact O-CB 2.75Å; V6-M10 PolarHBondContact O-N 3.01Å; M10-T13 WeakPolarHBondContact CA-OG1 3.08Å; M10-T13 PolarHBondContact O-N 2.94Å; M10-T13 PolarHBondContact O-OG1 3.47Å; M10-K14 WeakPolarHBondContact O-CB 3.31Å; M10-K14 PolarHBondContact O-N 2.86Å; M10-K14 VanDerWaalsContact O-N 3.12Å
11	Y	38.9	Very low	45.7	Very low	127 Å²	127	127.6 Å²	127.6	50%	0.498	62%	0.615	S	S	.	*	H	α-helix		0	0	0	-93.1	-85.9	0	0	0	109.8	I7 T13 K14 R15	I7-Y11 VanDerWaalsContact C-CD2 3.42Å; I7-Y11 HydrophobicContact CB-CD2 3.75Å; I7-Y11 HydrophobicContact CB-CE2 4.03Å; I7-Y11 HydrophobicContact CG1-CD2 4.41Å; I7-Y11 HydrophobicContact CG1-CE2 4.23Å; I7-Y11 HydrophobicContact CG2-CD2 2.91Å; I7-Y11 HydrophobicContact CG2-CE2 3.15Å; I7-Y11 HydrophobicContact CG2-CG 3.9Å; I7-Y11 WeakPolarHBondContact O-CA 3.1Å; I7-Y11 WeakPolarHBondContact O-CB 2.83Å; I7-Y11 WeakPolarHBondContact O-CD2 3.23Å; I7-Y11 PolarHBondContact O-N 3.26Å; Y11-T13 VanDerWaalsContact C-N 3.3Å; Y11-K14 PolarHBondContact O-N 3.07Å; Y11-R15 PolarHBondContact O-N 3.07Å
12	A	45.4	Very low	45.2	Very low	78 Å²	78	123.4 Å²	123.4	65%	0.645	61%	0.605	S	S	*	*	H	α-helix		0	0	0	0	0	0	0	0	110.2	K8	K8-A12 WeakPolarHBondContact O-CB 3.49Å; K8-A12 PolarHBondContact O-N 3.48Å
13	T	45.5	Very low	45.1	Very low	116 Å²	116	126.5 Å²	126.5	71%	0.712	62%	0.619	S	S	*	*	H	α-helix		0	0	0	18.5	0	0	0	0	110.4	T9 M10 Y11	T9-T13 PolarHBondContact O-OG1 3.06Å; M10-T13 WeakPolarHBondContact CA-OG1 3.08Å; M10-T13 PolarHBondContact O-N 2.94Å; M10-T13 PolarHBondContact O-OG1 3.47Å; Y11-T13 VanDerWaalsContact C-N 3.3Å
14	K	45.2	Very low	44.6	Very low	85 Å²	85	129.7 Å²	129.7	37%	0.37	63%	0.627	S	S	.	*	H	α-helix		0	0	0	-146	173.8	179	177.9	0	110.1	M10 Y11 R16 P947	M10-K14 WeakPolarHBondContact O-CB 3.31Å; M10-K14 PolarHBondContact O-N 2.86Å; M10-K14 VanDerWaalsContact O-N 3.12Å; Y11-K14 PolarHBondContact O-N 3.07Å; K14-R16 VanDerWaalsContact C-N 3.27Å; K14-R16 PolarHBondContact O-N 3.45Å; K14-R16 VanDerWaalsContact O-N 3.16Å; K14-P947 HydrophobicContact CD-CG 3.6Å; K14-P947 HydrophobicContact CG-CG 4.09Å
15	R	45.6	Very low	44.2	Very low	214 Å²	214	130 Å²	130	81%	0.808	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-89.3	-170.8	172.4	176.7	-0.5	109.7	Y11 R17	Y11-R15 PolarHBondContact O-N 3.07Å; R15-R17 PolarHBondContact O-N 2.8Å
16	R	45.4	Very low	43.6	Very low	220 Å²	220	132.2 Å²	132.2	83%	0.83	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn		0	39.1	0	-102.3	-176.6	175.7	172.5	-0.9	109.7	K14	K14-R16 VanDerWaalsContact C-N 3.27Å; K14-R16 PolarHBondContact O-N 3.45Å; K14-R16 VanDerWaalsContact O-N 3.16Å
17	R	43.6	Very low	42.6	Very low	143 Å²	143	136.1 Å²	136.1	54%	0.54	69%	0.687	S	S	.	*			trans	-107.3	70.3	162.1	-75.5	-167.7	178.1	169.5	-1.2	109.7	R15 N19 I948	R15-R17 PolarHBondContact O-N 2.8Å; R17-N19 VanDerWaalsContact C-N 3.34Å; R17-N19 PolarHBondContact O-N 2.88Å; R17-I948 VanDerWaalsContact NH1-CG1 3.34Å
18	K	42.2	Very low	41.8	Very low	203 Å²	203	137.6 Å²	137.6	88%	0.883	70%	0.703	S	S	*	*			trans	-46.1	93.7	164.9	-95.3	-180	179	178.4	0	111.1
19	N	33.2	Very low	41.2	Very low	145 Å²	145	134 Å²	134	78%	0.775	70%	0.704	S	S	*	*			trans	-1.9	102.1	145.5	-116.1	-4.8	0	0	0	112.1	R17 K21	R17-N19 VanDerWaalsContact C-N 3.34Å; R17-N19 PolarHBondContact O-N 2.88Å; N19-K21 PolarHBondContact O-N 3.48Å
20	P	42.9	Very low	40.5	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	73%	0.729	S	S	*	*			trans	-57.9	0	168.3	14.2	-1.8	0	0	0	111.6	S22	P20-S22 PolarHBondContact O-N 3.35Å
21	K	40.6	Very low	40.5	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	75%	0.749	S	S	*	*				0	0	0	-72.8	-173	-179.6	172.8	0	111.1	N19 N23	N19-K21 PolarHBondContact O-N 3.48Å; K21-N23 PolarHBondContact O-N 2.47Å
22	S	33.1	Very low	40.8	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	76%	0.76	S	S	*	*				0	85.2	0	105.6	0	0	0	0	111.6	P20	P20-S22 PolarHBondContact O-N 3.35Å
23	N	38.7	Very low	40.9	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	77%	0.77	S	S	*	*			trans	-106.1	0	155.1	-82.2	-9.6	0	0	0	110.3	K21	K21-N23 PolarHBondContact O-N 2.47Å
24	K	34.3	Very low	40.8	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	77%	0.768	S	S	*	*				0	117.9	0	-100.5	176.7	-176.3	176	0	111.8	T26	K24-T26 PolarHBondContact O-N 3.47Å
25	P	39	Very low	40.6	Very low	127 Å²	127	151 Å²	151	83%	0.825	79%	0.791	S	S	*	*			trans	-71.5	91.9	-179.2	26.8	-3.7	0	0	0	111.8
26	T	38.5	Very low	40.8	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	79%	0.789	S	S	*	*			trans	-93.1	97	159.3	-26.3	0	0	0	0	109.4	K24 S28	K24-T26 PolarHBondContact O-N 3.47Å; T26-S28 PolarHBondContact O-N 3.36Å
27	C	32.4	Very low	41.6	Very low	131 Å²	131	142.3 Å²	142.3	89%	0.885	78%	0.781	S	S	*	*			trans	-19.2	87.8	144.4	-104.1	0	0	0	0	111.4
28	S	38.7	Very low	42.8	Very low	104 Å²	104	144 Å²	144	73%	0.727	79%	0.792	S	S	*	*			trans	-128.1	85.1	148	-36	0	0	0	0	109.5	T26	T26-S28 PolarHBondContact O-N 3.36Å
29	A	42.5	Very low	44.4	Very low	89 Å²	89	136.4 Å²	136.4	74%	0.736	77%	0.765	S	S	*	*				55.1	87.1	119.2	0	0	0	0	0	110.6	I31	A29-I31 PolarHBondContact O-N 2.7Å
30	V	39.8	Very low	47	Very low	140 Å²	140	131.5 Å²	131.5	85%	0.848	74%	0.738	S	S	*	*				45.5	0	123.4	-177.9	0	0	0	0	109.7
31	I	46.1	Very low	49.2	Very low	164 Å²	164	131 Å²	131	84%	0.841	74%	0.736	S	S	*	*				0	85.5	0	-63.2	175.5	0	0	0	108.3	A29	A29-I31 PolarHBondContact O-N 2.7Å
32	Q	44.6	Very low	51.6	Low	158 Å²	158	122.4 Å²	122.4	74%	0.738	70%	0.699	S	S	*	*			trans	3.7	0	145.4	-69.6	-165	9.1	0	0	111.4	D34	Q32-D34 PolarHBondContact O-N 3.15Å
33	P	47	Very low	54.3	Low	129 Å²	129	122.1 Å²	122.1	84%	0.838	69%	0.685	S	S	*	*				0	0	0	23.9	-1	0	0	0	111.7	H35	P33-H35 PolarHBondContact O-N 3.38Å
34	D	42.9	Very low	56.8	Low	127 Å²	127	123 Å²	123	68%	0.679	68%	0.676	S	S	*	*				0	0	0	-92.6	-12.2	0	0	0	111.6	Q32	Q32-D34 PolarHBondContact O-N 3.15Å
35	H	41.5	Very low	59.6	Low	186 Å²	186	119.7 Å²	119.7	86%	0.861	66%	0.663	S	S	*	*	S	Bend		0	80.7	0	-78.2	-65.8	0	0	0	111.3	P33	P33-H35 PolarHBondContact O-N 3.38Å
36	N	51	Low	62.1	Low	142 Å²	142	119.1 Å²	119.1	76%	0.759	65%	0.645	S	S	*	*			trans	147.9	0	147.5	-153.8	3.3	0	0	0	110.2
37	V	61.8	Low	64.7	Low	108 Å²	108	117.8 Å²	117.8	66%	0.655	63%	0.629	S	S	*	*				0	0	0	179.6	0	0	0	0	108.2	S39	V37-S39 PolarHBondContact O-N 3.29Å
38	K	67.7	Low	67.6	Low	178 Å²	178	120.2 Å²	120.2	77%	0.774	62%	0.62	S	S	*	*				0	0	0	-70	179.8	-176.3	-178.5	0	111.5	N40	K38-N40 PolarHBondContact O-N 3.15Å
39	S	77	Confident	70.2	Confident	45 Å²	45	119 Å²	119	32%	0.315	61%	0.605	S	S	.	*				0	127.4	0	73.7	0	0	0	0	111.3	V37	V37-S39 PolarHBondContact O-N 3.29Å
40	N	86.6	Confident	72.6	Confident	41 Å²	41	116.9 Å²	116.9	22%	0.219	58%	0.581	C	S	.	*			trans	-35.6	0	170.3	-173.4	-17.9	0	0	0	111.6	K38 S42 K43 R44 G588	K38-N40 PolarHBondContact O-N 3.15Å; N40-S42 PolarHBondContact O-N 3.22Å; N40-S42 VanDerWaalsContact O-N 3.08Å; N40-S42 PolarHBondContact OD1-N 3.38Å; N40-S42 VanDerWaalsContact OD1-N 3.1Å; N40-K43 HydrophobicContact CB-CB 4.29Å; N40-K43 WeakPolarHBondContact O-CA 3.22Å; N40-K43 WeakPolarHBondContact O-CB 3.14Å; N40-K43 PolarHBondContact O-N 3.21Å; N40-R44 PolarHBondContact O-N 3.22Å; N40-R44 VanDerWaalsContact O-N 3.09Å; N40-G588 WeakPolarHBondContact ND2-CA 3.4Å; N40-G588 PolarHBondContact ND2-N 3.32Å; N40-G588 PolarHBondContact ND2-O 3.1Å
41	P	89.4	Confident	75.1	Confident	108 Å²	108	112.8 Å²	112.8	70%	0.701	56%	0.559	S	S	*	*	H	α-helix		0	-37	0	-27.7	33.9	0	0	0	111.6	R44 H45	P41-R44 PolarHBondContact O-N 2.8Å; P41-H45 VanDerWaalsContact O-CB 3.28Å; P41-H45 WeakPolarHBondContact O-CB 3.48Å; P41-H45 PolarHBondContact O-N 3.08Å
42	S	90.3	Very high	77.4	Confident	9 Å²	9	110.1 Å²	110.1	6%	0.063	54%	0.543	C	S	.	.	H	α-helix	trans	-64.1	0	178.5	-177	0	0	0	0	111.6	N40 H45 R46 S589 C590	N40-S42 PolarHBondContact O-N 3.22Å; N40-S42 VanDerWaalsContact O-N 3.08Å; N40-S42 PolarHBondContact OD1-N 3.38Å; N40-S42 VanDerWaalsContact OD1-N 3.1Å; S42-H45 PolarHBondContact O-N 3.09Å; S42-R46 VanDerWaalsContact O-CG 3.26Å; S42-R46 WeakPolarHBondContact O-CG 3.46Å; S42-R46 PolarHBondContact O-N 3.21Å; S42-R46 PolarHBondContact OG-NH1 3.46Å; S42-S589 WeakPolarHBondContact CA-OG 3.48Å; S42-S589 CovalentContact CB-OG 1.07Å; S42-S589 WeakPolarHBondContact CB-OG 3.29Å; S42-S589 PolarHBondContact N-OG 3.5Å; S42-S589 WeakPolarHBondContact OG-CA 3.5Å; S42-S589 CovalentContact OG-CB 1.35Å; S42-S589 WeakPolarHBondContact OG-CB 3.28Å; S42-S589 PolarHBondContact OG-OG 3.44Å; S42-C590 WeakPolarHBondContact CB-SG 3.42Å; S42-C590 PolarHBondContact OG-SG 3.01Å
43	K	91.4	Very high	79.7	Confident	102 Å²	102	103.7 Å²	103.7	44%	0.443	51%	0.513	S	S	.	.	H	α-helix		0	-41.6	0	-174.7	178.6	177.5	179.9	0	110.9	N40 H45 R46 E47	N40-K43 HydrophobicContact CB-CB 4.29Å; N40-K43 WeakPolarHBondContact O-CA 3.22Å; N40-K43 WeakPolarHBondContact O-CB 3.14Å; N40-K43 PolarHBondContact O-N 3.21Å; K43-H45 VanDerWaalsContact C-N 3.31Å; K43-H45 PolarHBondContact O-N 3.49Å; K43-R46 PolarHBondContact O-N 1.63Å; K43-E47 WeakPolarHBondContact CE-OE1 3.32Å; K43-E47 WeakPolarHBondContact O-CG 3.44Å; K43-E47 PolarHBondContact O-N 2.87Å
44	R	90.2	Very high	81.9	Confident	174 Å²	174	104.2 Å²	104.2	66%	0.657	50%	0.504	S	S	*	.	H	α-helix	trans	-62.5	-43.7	178	-168.7	179.3	-109.4	-178	1	110.5	N40 P41 R46 E47 R48	N40-R44 PolarHBondContact O-N 3.22Å; N40-R44 VanDerWaalsContact O-N 3.09Å; P41-R44 PolarHBondContact O-N 2.8Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R44-E47 PolarHBondContact O-N 3.47Å; R44-R48 WeakPolarHBondContact O-CB 3.2Å; R44-R48 PolarHBondContact O-N 2.95Å
45	H	92.3	Very high	84.3	Confident	120 Å²	120	103.2 Å²	103.2	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-60.1	0	177.1	172.7	70	0	0	0	111.2	P41 S42 K43 R48 L49	P41-H45 VanDerWaalsContact O-CB 3.28Å; P41-H45 WeakPolarHBondContact O-CB 3.48Å; P41-H45 PolarHBondContact O-N 3.08Å; S42-H45 PolarHBondContact O-N 3.09Å; K43-H45 VanDerWaalsContact C-N 3.31Å; K43-H45 PolarHBondContact O-N 3.49Å; H45-R48 PolarHBondContact O-N 3.04Å; H45-L49 WeakPolarHBondContact O-CB 2.29Å; H45-L49 PolarHBondContact O-N 3.18Å
46	R	93.1	Very high	86.8	Confident	115 Å²	115	96.9 Å²	96.9	43%	0.434	47%	0.468	S	S	.	.	H	α-helix		0	-39	0	-73.2	-165.1	-58.9	-110.8	-1.6	110.9	S42 K43 R44 L49 N50	S42-R46 VanDerWaalsContact O-CG 3.26Å; S42-R46 WeakPolarHBondContact O-CG 3.46Å; S42-R46 PolarHBondContact O-N 3.21Å; S42-R46 PolarHBondContact OG-NH1 3.46Å; K43-R46 PolarHBondContact O-N 1.63Å; R44-R46 VanDerWaalsContact C-N 3.34Å; R46-L49 PolarHBondContact O-N 3.26Å; R46-N50 WeakPolarHBondContact O-CB 3.34Å; R46-N50 PolarHBondContact O-N 3.41Å; R46-N50 PolarHBondContact O-ND2 2.97Å
47	E	92	Very high	88.9	Confident	103 Å²	103	90.3 Å²	90.3	48%	0.481	43%	0.433	S	S	.	.	H	α-helix	trans	-67	-42.4	179.7	-74.8	173.9	179.8	0	0	110.5	K43 R44 L49 N50 S51	K43-E47 WeakPolarHBondContact CE-OE1 3.32Å; K43-E47 WeakPolarHBondContact O-CG 3.44Å; K43-E47 PolarHBondContact O-N 2.87Å; R44-E47 PolarHBondContact O-N 3.47Å; E47-L49 VanDerWaalsContact C-N 3.32Å; E47-N50 PolarHBondContact O-N 3.04Å; E47-S51 PolarHBondContact O-N 2.84Å
48	R	93.7	Very high	90.3	Very high	182 Å²	182	88.2 Å²	88.2	69%	0.687	42%	0.423	S	S	*	.	H	α-helix	trans	-63.9	-42.7	177.3	-169.8	175.9	178.5	150.2	-0.2	110.4	R44 H45 N50 S51 E52	R44-R48 WeakPolarHBondContact O-CB 3.2Å; R44-R48 PolarHBondContact O-N 2.95Å; H45-R48 PolarHBondContact O-N 3.04Å; R48-N50 VanDerWaalsContact C-N 3.33Å; R48-S51 VanDerWaalsContact C-OG 3.23Å; R48-S51 WeakPolarHBondContact CA-OG 3.42Å; R48-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-OG 3.23Å; R48-E52 VanDerWaalsContact O-CG 3.28Å; R48-E52 WeakPolarHBondContact O-CG 3.46Å; R48-E52 PolarHBondContact O-N 2.87Å
49	L	92.2	Very high	91.5	Very high	80 Å²	80	84.6 Å²	84.6	42%	0.419	41%	0.412	S	S	.	.	H	α-helix	trans	-60.5	-43.1	177.1	-174.1	147	0	0	0	111.1	H45 R46 E47 S51 E52 L53	H45-L49 WeakPolarHBondContact O-CB 2.29Å; H45-L49 PolarHBondContact O-N 3.18Å; R46-L49 PolarHBondContact O-N 3.26Å; E47-L49 VanDerWaalsContact C-N 3.32Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.22Å; L49-E52 WeakPolarHBondContact O-CB 3.3Å; L49-E52 PolarHBondContact O-N 3.48Å; L49-E52 VanDerWaalsContact O-N 3.12Å; L49-L53 HydrophobicContact CD2-CD1 3.2Å; L49-L53 HydrophobicContact CD2-CG 3.85Å; L49-L53 HydrophobicContact CG-CD1 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.02Å
50	N	93.8	Very high	92.3	Very high	44 Å²	44	83 Å²	83	24%	0.235	40%	0.4	C	S	.	.	H	α-helix	trans	-65.7	0	179.4	-74.6	-26.7	0	0	0	111.2	R46 E47 R48 E52 L53 E54 K72	R46-N50 WeakPolarHBondContact O-CB 3.34Å; R46-N50 PolarHBondContact O-N 3.41Å; R46-N50 PolarHBondContact O-ND2 2.97Å; E47-N50 PolarHBondContact O-N 3.04Å; R48-N50 VanDerWaalsContact C-N 3.33Å; N50-E52 VanDerWaalsContact C-N 3.25Å; N50-E52 PolarHBondContact O-N 2.98Å; N50-L53 PolarHBondContact O-N 3.42Å; N50-E54 WeakPolarHBondContact O-CB 3.28Å; N50-E54 VanDerWaalsContact O-CG 3.23Å; N50-E54 WeakPolarHBondContact O-CG 3.44Å; N50-E54 PolarHBondContact O-N 2.99Å; N50-K72 PolarHBondContact ND2-NZ 3.11Å; N50-K72 WeakPolarHBondContact OD1-CE 3.23Å; N50-K72 PolarHBondContact OD1-NZ 2.94Å
51	S	92.8	Very high	92.4	Very high	54 Å²	54	83.5 Å²	83.5	38%	0.378	41%	0.405	S	S	.	.	H	α-helix		0	-36	0	66.4	0	0	0	0	110.6	E47 R48 L49 L53 E54 H55	E47-S51 PolarHBondContact O-N 2.84Å; R48-S51 VanDerWaalsContact C-OG 3.23Å; R48-S51 WeakPolarHBondContact CA-OG 3.42Å; R48-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-OG 3.23Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.22Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-E54 PolarHBondContact O-N 2.44Å; S51-H55 WeakPolarHBondContact O-CB 2.51Å; S51-H55 PolarHBondContact O-N 2.94Å
52	E	94.5	Very high	92.3	Very high	108 Å²	108	79.7 Å²	79.7	51%	0.505	38%	0.378	S	S	.	.	H	α-helix	trans	-70.8	-38	179	-70.7	-60.3	145.9	0	0	110.7	R48 L49 N50 E54 H55 L56	R48-E52 VanDerWaalsContact O-CG 3.28Å; R48-E52 WeakPolarHBondContact O-CG 3.46Å; R48-E52 PolarHBondContact O-N 2.87Å; L49-E52 WeakPolarHBondContact O-CB 3.3Å; L49-E52 PolarHBondContact O-N 3.48Å; L49-E52 VanDerWaalsContact O-N 3.12Å; N50-E52 VanDerWaalsContact C-N 3.25Å; N50-E52 PolarHBondContact O-N 2.98Å; E52-E54 PolarHBondContact O-N 3.25Å; E52-H55 WeakPolarHBondContact O-CB 1.07Å; E52-H55 PolarHBondContact O-N 3.37Å; E52-L56 WeakPolarHBondContact O-CB 2.55Å; E52-L56 PolarHBondContact O-N 3.04Å
53	L	93.1	Very high	92.2	Very high	22 Å²	22	84.9 Å²	84.9	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-34.8	179.1	-75.9	174.2	0	0	0	111	L49 N50 S51 H55 L56 A57 K72 L76	L49-L53 HydrophobicContact CD2-CD1 3.2Å; L49-L53 HydrophobicContact CD2-CG 3.85Å; L49-L53 HydrophobicContact CG-CD1 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.02Å; N50-L53 PolarHBondContact O-N 3.42Å; S51-L53 VanDerWaalsContact C-N 3.33Å; L53-H55 VanDerWaalsContact C-N 3.3Å; L53-L56 WeakPolarHBondContact O-CB 1.35Å; L53-L56 PolarHBondContact O-N 3.23Å; L53-A57 WeakPolarHBondContact O-CB 3.26Å; L53-A57 PolarHBondContact O-N 3.47Å; L53-K72 HydrophobicContact CD1-CB 4.12Å; L53-K72 HydrophobicContact CD1-CD 3.9Å; L53-K72 HydrophobicContact CD1-CG 4.06Å; L53-L76 HydrophobicContact CD2-CD2 3.74Å; L53-L76 HydrophobicContact CD2-CG 4.03Å
54	E	92.6	Very high	92	Very high	140 Å²	140	85.8 Å²	85.8	65%	0.654	41%	0.407	S	S	*	.	H	α-helix	trans	-69.2	-38.7	177.2	-75.8	176.9	-178.1	0	0	110.4	N50 S51 E52 L56 A57 S58	N50-E54 WeakPolarHBondContact O-CB 3.28Å; N50-E54 VanDerWaalsContact O-CG 3.23Å; N50-E54 WeakPolarHBondContact O-CG 3.44Å; N50-E54 PolarHBondContact O-N 2.99Å; S51-E54 PolarHBondContact O-N 2.44Å; E52-E54 PolarHBondContact O-N 3.25Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-A57 WeakPolarHBondContact O-CB 3.41Å; E54-A57 PolarHBondContact O-N 2.92Å; E54-S58 PolarHBondContact O-N 3.42Å; E54-S58 VanDerWaalsContact O-N 3.1Å
55	H	94	Very high	92	Very high	106 Å²	106	83.1 Å²	83.1	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-45.7	175.8	179.5	65.1	0	0	0	110.4	S51 E52 L53 A57 S58 L59	S51-H55 WeakPolarHBondContact O-CB 2.51Å; S51-H55 PolarHBondContact O-N 2.94Å; E52-H55 WeakPolarHBondContact O-CB 1.07Å; E52-H55 PolarHBondContact O-N 3.37Å; L53-H55 VanDerWaalsContact C-N 3.3Å; H55-A57 VanDerWaalsContact C-N 3.27Å; H55-A57 PolarHBondContact O-N 3.03Å; H55-S58 PolarHBondContact O-N 3.45Å; H55-S58 VanDerWaalsContact O-N 3.13Å; H55-S58 PolarHBondContact O-OG 3.25Å; H55-L59 PolarHBondContact O-N 2.95Å
56	L	94.2	Very high	91.8	Very high	53 Å²	53	78.5 Å²	78.5	28%	0.277	39%	0.386	S	S	.	.	H	α-helix	trans	-57.2	-42.1	176.3	-179.3	60.4	0	0	0	111.3	E52 L53 E54 S58 L59 L60 I75 L76 A79	E52-L56 WeakPolarHBondContact O-CB 2.55Å; E52-L56 PolarHBondContact O-N 3.04Å; L53-L56 WeakPolarHBondContact O-CB 1.35Å; L53-L56 PolarHBondContact O-N 3.23Å; E54-L56 VanDerWaalsContact C-N 3.34Å; L56-S58 PolarHBondContact O-N 2.37Å; L56-L59 WeakPolarHBondContact O-CB 3.42Å; L56-L59 PolarHBondContact O-N 2.83Å; L56-L60 PolarHBondContact O-N 3.24Å; L56-I75 HydrophobicContact CB-CG2 4.44Å; L56-I75 HydrophobicContact CD2-CG2 4.14Å; L56-I75 HydrophobicContact CG-CG2 4.15Å; L56-L76 HydrophobicContact CD2-CD2 3.98Å; L56-A79 HydrophobicContact CD1-CB 4.19Å; L56-A79 HydrophobicContact CD2-CB 3.95Å; L56-A79 HydrophobicContact CG-CB 4.22Å
57	A	93.5	Very high	91.6	Very high	4 Å²	4	73.8 Å²	73.8	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-35.3	179	0	0	0	0	0	111.3	L53 E54 H55 L59 L60 I67 I75	L53-A57 WeakPolarHBondContact O-CB 3.26Å; L53-A57 PolarHBondContact O-N 3.47Å; E54-A57 WeakPolarHBondContact O-CB 3.41Å; E54-A57 PolarHBondContact O-N 2.92Å; H55-A57 VanDerWaalsContact C-N 3.27Å; H55-A57 PolarHBondContact O-N 3.03Å; A57-L59 PolarHBondContact O-N 3.12Å; A57-L60 WeakPolarHBondContact O-CB 3.5Å; A57-L60 PolarHBondContact O-N 3.37Å; A57-I67 HydrophobicContact CB-CG2 3.53Å; A57-I67 VanDerWaalsContact O-CD1 3.22Å; A57-I67 WeakPolarHBondContact O-CD1 3.42Å; A57-I75 HydrophobicContact CB-CD1 3.65Å; A57-I75 HydrophobicContact CB-CG1 4.13Å; A57-I75 HydrophobicContact CB-CG2 4.05Å
58	S	92.4	Very high	91.5	Very high	65 Å²	65	74 Å²	74	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-72.9	-17	-177.3	69	0	0	0	0	110.7	E54 H55 L56	E54-S58 PolarHBondContact O-N 3.42Å; E54-S58 VanDerWaalsContact O-N 3.1Å; H55-S58 PolarHBondContact O-N 3.45Å; H55-S58 VanDerWaalsContact O-N 3.13Å; H55-S58 PolarHBondContact O-OG 3.25Å; L56-S58 PolarHBondContact O-N 2.37Å
59	L	93.5	Very high	91.3	Very high	101 Å²	101	74.1 Å²	74.1	53%	0.529	38%	0.383	S	S	.	.	H	α-helix	trans	-88.5	-14.8	-178.7	-66.9	175.5	0	0	0	110.5	H55 L56 A57 Q726	H55-L59 PolarHBondContact O-N 2.95Å; L56-L59 WeakPolarHBondContact O-CB 3.42Å; L56-L59 PolarHBondContact O-N 2.83Å; A57-L59 PolarHBondContact O-N 3.12Å; L59-Q726 PolarHBondContact O-NE2 2.87Å
60	L	92.1	Very high	91.2	Very high	12 Å²	12	71.6 Å²	71.6	6%	0.063	37%	0.369	C	S	.	.	S	Bend	trans	-68.1	145.3	-179.7	-71.7	173.6	0	0	0	111	L56 A57 F62 I75 L78 A79	L56-L60 PolarHBondContact O-N 3.24Å; A57-L60 WeakPolarHBondContact O-CB 3.5Å; A57-L60 PolarHBondContact O-N 3.37Å; L60-F62 HydrophobicContact CB-CD2 3.84Å; L60-F62 HydrophobicContact CB-CE2 4.45Å; L60-F62 PolarHBondContact O-N 2.85Å; L60-I75 HydrophobicContact CD1-CG2 4.3Å; L60-L78 HydrophobicContact CD1-CB 3.89Å; L60-L78 HydrophobicContact CD1-CD1 4.19Å; L60-L78 HydrophobicContact CD2-CB 4.13Å; L60-A79 HydrophobicContact CD2-CB 4.3Å
61	P	88.6	Confident	91.1	Very high	51 Å²	51	72.6 Å²	72.6	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-76.8	47.2	-177.6	29.5	-31.9	0	0	0	111.9	Y82	P61-Y82 HydrophobicContact CG-CD2 3.75Å; P61-Y82 HydrophobicContact CG-CE2 3.9Å
62	F	88.5	Confident	91.1	Very high	29 Å²	29	75.3 Å²	75.3	13%	0.127	38%	0.38	C	S	.	.	S	Bend	trans	-122.4	159.3	175.3	-66	-77.6	0	0	0	109.4	L60 V66 I67 L78 H153 Q154 A155 L158	L60-F62 HydrophobicContact CB-CD2 3.84Å; L60-F62 HydrophobicContact CB-CE2 4.45Å; L60-F62 PolarHBondContact O-N 2.85Å; F62-V66 HydrophobicContact CB-CB 4.37Å; F62-V66 HydrophobicContact CB-CG1 4.47Å; F62-I67 HydrophobicContact CB-CG1 4.18Å; F62-L78 HydrophobicContact CD2-CD1 4.3Å; F62-L78 HydrophobicContact CE2-CB 4.31Å; F62-L78 HydrophobicContact CE2-CD1 3.8Å; F62-L78 HydrophobicContact CE2-CD2 4.12Å; F62-L78 HydrophobicContact CE2-CG 4.31Å; F62-L78 HydrophobicContact CZ-CD1 4.38Å; F62-L78 HydrophobicContact CZ-CD2 4.1Å; F62-H153 AromaticContact CD1-CE1 3.98Å; F62-Q154 HydrophobicContact CD1-CG 4.13Å; F62-Q154 HydrophobicContact CE1-CG 3.27Å; F62-Q154 HydrophobicContact CZ-CG 4.17Å; F62-A155 HydrophobicContact CD1-CB 4.46Å; F62-A155 HydrophobicContact CE1-CB 4.03Å; F62-A155 HydrophobicContact CZ-CB 4.16Å; F62-L158 HydrophobicContact CZ-CD1 4.12Å
63	E	87.2	Confident	90.9	Very high	117 Å²	117	76 Å²	76	55%	0.547	39%	0.386	S	S	.	.			trans	-67.6	154.2	178.1	-64.5	-176.3	172	0	0	111	N65 V66 I67	E63-N65 PolarHBondContact O-N 3.29Å; E63-V66 PolarHBondContact O-N 3.49Å; E63-I67 WeakPolarHBondContact O-CG1 2.98Å; E63-I67 PolarHBondContact O-N 2.76Å
64	Q	88.7	Confident	90.9	Very high	121 Å²	121	75.6 Å²	75.6	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-61.6	-27.9	-174.6	-171.6	59.7	31.4	0	0	111	V66 I67 V68	Q64-V66 PolarHBondContact O-N 3.46Å; Q64-I67 PolarHBondContact O-N 3.32Å; Q64-V68 HydrophobicContact CG-CG2 4.32Å; Q64-V68 WeakPolarHBondContact O-CG2 3.44Å; Q64-V68 PolarHBondContact O-N 2.48Å; Q64-V68 VanDerWaalsContact O-N 3.13Å
65	N	88.7	Confident	91	Very high	118 Å²	118	69.5 Å²	69.5	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-68.5	-29	-179.8	-66.2	-26.3	0	0	0	111.4	E63	E63-N65 PolarHBondContact O-N 3.29Å
66	V	88.1	Confident	91	Very high	24 Å²	24	68.6 Å²	68.6	15%	0.145	36%	0.355	C	S	.	.	H	α-helix	trans	-83.3	-35.3	179.5	177.6	0	0	0	0	109.5	F62 E63 Q64 V68 K69 L70 H153 A155	F62-V66 HydrophobicContact CB-CB 4.37Å; F62-V66 HydrophobicContact CB-CG1 4.47Å; E63-V66 PolarHBondContact O-N 3.49Å; Q64-V66 PolarHBondContact O-N 3.46Å; V66-V68 PolarHBondContact O-N 3.1Å; V66-K69 PolarHBondContact O-N 3.35Å; V66-L70 HydrophobicContact CG1-CD1 4.5Å; V66-L70 HydrophobicContact CG1-CD2 4.43Å; V66-L70 HydrophobicContact CG1-CG 4.39Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 3.13Å; V66-H153 WeakPolarHBondContact CG2-NE2 3.34Å; V66-A155 HydrophobicContact CG1-CB 4.25Å
67	I	90.3	Very high	90.9	Very high	16 Å²	16	67.8 Å²	67.8	8%	0.082	35%	0.348	C	S	.	.	H	α-helix	trans	-67.4	-31.4	-175.4	-69.4	175.5	0	0	0	109.8	A57 F62 E63 Q64 K69 L70	A57-I67 HydrophobicContact CB-CG2 3.53Å; A57-I67 VanDerWaalsContact O-CD1 3.22Å; A57-I67 WeakPolarHBondContact O-CD1 3.42Å; F62-I67 HydrophobicContact CB-CG1 4.18Å; E63-I67 WeakPolarHBondContact O-CG1 2.98Å; E63-I67 PolarHBondContact O-N 2.76Å; Q64-I67 PolarHBondContact O-N 3.32Å; I67-K69 PolarHBondContact O-N 3.41Å; I67-L70 PolarHBondContact O-N 3.43Å; I67-L70 VanDerWaalsContact O-N 3.16Å
68	V	89.8	Confident	90.9	Very high	108 Å²	108	67.7 Å²	67.7	66%	0.655	35%	0.348	S	S	*	.	H	α-helix	trans	-73.2	-20.4	-176.1	172.7	0	0	0	0	109.1	Q64 V66 L70	Q64-V68 HydrophobicContact CG-CG2 4.32Å; Q64-V68 WeakPolarHBondContact O-CG2 3.44Å; Q64-V68 PolarHBondContact O-N 2.48Å; Q64-V68 VanDerWaalsContact O-N 3.13Å; V66-V68 PolarHBondContact O-N 3.1Å; V68-L70 VanDerWaalsContact C-N 3.35Å
69	K	89.3	Confident	91	Very high	184 Å²	184	65.3 Å²	65.3	80%	0.8	33%	0.332	S	S	*	.	H	α-helix	trans	-96.3	-3.4	-175	-67.7	-179.3	-177.5	178.9	0	110.7	V66 I67	V66-K69 PolarHBondContact O-N 3.35Å; I67-K69 PolarHBondContact O-N 3.41Å
70	L	90.7	Very high	90.9	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.141	33%	0.326	C	S	.	.			trans	-84.9	140.5	-171.8	-71	172.9	0	0	0	110.2	V66 I67 V68 I75 L78 A155	V66-L70 HydrophobicContact CG1-CD1 4.5Å; V66-L70 HydrophobicContact CG1-CD2 4.43Å; V66-L70 HydrophobicContact CG1-CG 4.39Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 3.13Å; I67-L70 PolarHBondContact O-N 3.43Å; I67-L70 VanDerWaalsContact O-N 3.16Å; V68-L70 VanDerWaalsContact C-N 3.35Å; L70-I75 HydrophobicContact CB-CG1 3.98Å; L70-L78 HydrophobicContact CD1-CD1 3.69Å; L70-L78 HydrophobicContact CD2-CD1 4.08Å; L70-A155 HydrophobicContact CD2-CB 4.34Å
71	D	91.5	Very high	90.7	Very high	65 Å²	65	63.2 Å²	63.2	35%	0.348	32%	0.323	S	S	.	.			trans	-79.6	160.7	174.3	61.3	-23	0	0	0	110.7	L73 S74 I75	D71-L73 PolarHBondContact O-N 3.16Å; D71-S74 WeakPolarHBondContact O-CB 3.48Å; D71-S74 PolarHBondContact O-N 3.22Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D71-S74 WeakPolarHBondContact OD1-CA 3.38Å; D71-S74 WeakPolarHBondContact OD1-CB 3.23Å; D71-S74 PolarHBondContact OD1-N 3.25Å; D71-S74 CovalentContact OD1-OG 1.76Å; D71-S74 PolarHBondContact OD1-OG 2.89Å; D71-S74 PolarHBondContact OD2-OG 3.06Å; D71-I75 VanDerWaalsContact O-CG1 3.22Å; D71-I75 WeakPolarHBondContact O-CG1 3.48Å; D71-I75 PolarHBondContact O-N 3.49Å
72	K	91	Very high	90.8	Very high	111 Å²	111	63.1 Å²	63.1	48%	0.483	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-34.6	-173.8	-69.5	-179.4	-179.2	178.5	0	110.8	N50 L53 S74 I75 L76	N50-K72 PolarHBondContact ND2-NZ 3.11Å; N50-K72 WeakPolarHBondContact OD1-CE 3.23Å; N50-K72 PolarHBondContact OD1-NZ 2.94Å; L53-K72 HydrophobicContact CD1-CB 4.12Å; L53-K72 HydrophobicContact CD1-CD 3.9Å; L53-K72 HydrophobicContact CD1-CG 4.06Å; K72-S74 PolarHBondContact O-N 3.13Å; K72-I75 WeakPolarHBondContact O-CB 3.19Å; K72-I75 PolarHBondContact O-N 3.43Å; K72-L76 PolarHBondContact O-N 3.06Å
73	L	91.7	Very high	90.9	Very high	123 Å²	123	66.6 Å²	66.6	64%	0.644	34%	0.336	S	S	*	.	H	α-helix	trans	-70.8	-36.1	179.5	-167.5	138.3	0	0	0	110.5	D71 I75 L76 R77	D71-L73 PolarHBondContact O-N 3.16Å; L73-I75 PolarHBondContact O-N 3.48Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 2.96Å; L73-R77 PolarHBondContact O-N 3.04Å
74	S	92.9	Very high	90.8	Very high	13 Å²	13	65.6 Å²	65.6	9%	0.091	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-34.4	-179.9	-64.2	0	0	0	0	111	D71 K72 L76 R77 L78	D71-S74 WeakPolarHBondContact O-CB 3.48Å; D71-S74 PolarHBondContact O-N 3.22Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D71-S74 WeakPolarHBondContact OD1-CA 3.38Å; D71-S74 WeakPolarHBondContact OD1-CB 3.23Å; D71-S74 PolarHBondContact OD1-N 3.25Å; D71-S74 CovalentContact OD1-OG 1.76Å; D71-S74 PolarHBondContact OD1-OG 2.89Å; D71-S74 PolarHBondContact OD2-OG 3.06Å; K72-S74 PolarHBondContact O-N 3.13Å; S74-L76 PolarHBondContact O-N 3.49Å; S74-R77 WeakPolarHBondContact O-CB 3.47Å; S74-R77 PolarHBondContact O-N 3.05Å; S74-L78 WeakPolarHBondContact O-CB 3.43Å; S74-L78 WeakPolarHBondContact O-CG 3.41Å; S74-L78 PolarHBondContact O-N 3.19Å
75	I	93.5	Very high	90.6	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.062	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-43	179	-68.3	173.2	0	0	0	109.5	L56 A57 L60 L70 D71 K72 L73 R77 L78 A79	L56-I75 HydrophobicContact CB-CG2 4.44Å; L56-I75 HydrophobicContact CD2-CG2 4.14Å; L56-I75 HydrophobicContact CG-CG2 4.15Å; A57-I75 HydrophobicContact CB-CD1 3.65Å; A57-I75 HydrophobicContact CB-CG1 4.13Å; A57-I75 HydrophobicContact CB-CG2 4.05Å; L60-I75 HydrophobicContact CD1-CG2 4.3Å; L70-I75 HydrophobicContact CB-CG1 3.98Å; D71-I75 VanDerWaalsContact O-CG1 3.22Å; D71-I75 WeakPolarHBondContact O-CG1 3.48Å; D71-I75 PolarHBondContact O-N 3.49Å; K72-I75 WeakPolarHBondContact O-CB 3.19Å; K72-I75 PolarHBondContact O-N 3.43Å; L73-I75 PolarHBondContact O-N 3.48Å; I75-R77 PolarHBondContact O-N 3.3Å; I75-L78 PolarHBondContact O-N 3.24Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 3.22Å
76	L	94	Very high	90.4	Very high	87 Å²	87	61 Å²	61	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-43.4	179.3	-71.2	175.8	0	0	0	110.6	L53 L56 K72 L73 S74 L78 A79 V80	L53-L76 HydrophobicContact CD2-CD2 3.74Å; L53-L76 HydrophobicContact CD2-CG 4.03Å; L56-L76 HydrophobicContact CD2-CD2 3.98Å; K72-L76 PolarHBondContact O-N 3.06Å; L73-L76 PolarHBondContact O-N 2.83Å; S74-L76 PolarHBondContact O-N 3.49Å; L76-L78 PolarHBondContact O-N 3.27Å; L76-A79 PolarHBondContact O-N 3.24Å; L76-V80 VanDerWaalsContact O-CG2 3.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 3.23Å
77	R	93.6	Very high	90	Very high	35 Å²	35	63 Å²	63	13%	0.132	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-48.3	179.4	178.5	177.4	67.1	-178.7	-1.8	110.7	L73 S74 I75 A79 V80 S81 A155 H159	L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 2.96Å; L73-R77 PolarHBondContact O-N 3.04Å; S74-R77 WeakPolarHBondContact O-CB 3.47Å; S74-R77 PolarHBondContact O-N 3.05Å; I75-R77 PolarHBondContact O-N 3.3Å; R77-A79 PolarHBondContact O-N 2.88Å; R77-V80 PolarHBondContact O-N 3.4Å; R77-S81 WeakPolarHBondContact O-CB 3.19Å; R77-S81 PolarHBondContact O-N 3.16Å; R77-A155 PolarHBondContact NH2-O 3.19Å; R77-H159 HydrophobicContact CG-CB 3.81Å
78	L	93.6	Very high	89.3	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-67.5	-34.6	-177.3	-69.8	173.8	0	0	0	110.3	L60 F62 L70 S74 I75 L76 V80 S81 Y82 A155 L158	L60-L78 HydrophobicContact CD1-CB 3.89Å; L60-L78 HydrophobicContact CD1-CD1 4.19Å; L60-L78 HydrophobicContact CD2-CB 4.13Å; F62-L78 HydrophobicContact CD2-CD1 4.3Å; F62-L78 HydrophobicContact CE2-CB 4.31Å; F62-L78 HydrophobicContact CE2-CD1 3.8Å; F62-L78 HydrophobicContact CE2-CD2 4.12Å; F62-L78 HydrophobicContact CE2-CG 4.31Å; F62-L78 HydrophobicContact CZ-CD1 4.38Å; F62-L78 HydrophobicContact CZ-CD2 4.1Å; L70-L78 HydrophobicContact CD1-CD1 3.69Å; L70-L78 HydrophobicContact CD2-CD1 4.08Å; S74-L78 WeakPolarHBondContact O-CB 3.43Å; S74-L78 WeakPolarHBondContact O-CG 3.41Å; S74-L78 PolarHBondContact O-N 3.19Å; I75-L78 PolarHBondContact O-N 3.24Å; L76-L78 PolarHBondContact O-N 3.27Å; L78-V80 VanDerWaalsContact C-N 3.28Å; L78-S81 WeakPolarHBondContact O-CB 3.16Å; L78-S81 PolarHBondContact O-N 3.35Å; L78-Y82 WeakPolarHBondContact O-CB 3.22Å; L78-Y82 PolarHBondContact O-N 3.44Å; L78-A155 HydrophobicContact CD1-CB 4Å; L78-A155 HydrophobicContact CD2-CB 4.35Å; L78-L158 HydrophobicContact CD2-CB 4.03Å; L78-L158 HydrophobicContact CD2-CD1 3.89Å
79	A	93.4	Very high	88.5	Confident	14 Å²	14	59.4 Å²	59.4	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-43.8	177	0	0	0	0	0	110.5	L56 L60 I75 L76 R77 S81 Y82 L83	L56-A79 HydrophobicContact CD1-CB 4.19Å; L56-A79 HydrophobicContact CD2-CB 3.95Å; L56-A79 HydrophobicContact CG-CB 4.22Å; L60-A79 HydrophobicContact CD2-CB 4.3Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 3.22Å; L76-A79 PolarHBondContact O-N 3.24Å; R77-A79 PolarHBondContact O-N 2.88Å; A79-S81 PolarHBondContact O-N 3.39Å; A79-Y82 PolarHBondContact O-N 3.47Å; A79-L83 WeakPolarHBondContact O-CG 3.38Å; A79-L83 PolarHBondContact O-N 2.65Å; A79-L83 VanDerWaalsContact O-N 3.08Å
80	V	91.2	Very high	87.6	Confident	68 Å²	68	58 Å²	58	41%	0.412	29%	0.286	S	S	.	.	H	α-helix	trans	-64.4	-38.3	178.3	173.1	0	0	0	0	109.6	L76 R77 L78 Y82 L83 R84	L76-V80 VanDerWaalsContact O-CG2 3.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 3.23Å; R77-V80 PolarHBondContact O-N 3.4Å; L78-V80 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 3.16Å; V80-L83 PolarHBondContact O-N 2.79Å; V80-R84 HydrophobicContact CG1-CG 4.25Å; V80-R84 VanDerWaalsContact O-CG 3.28Å; V80-R84 WeakPolarHBondContact O-CG 3.19Å; V80-R84 PolarHBondContact O-N 2.88Å
81	S	89.5	Confident	86.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-43.6	-179.4	178.3	0	0	0	0	111.1	R77 L78 A79 L83 R84 I85 H159	R77-S81 WeakPolarHBondContact O-CB 3.19Å; R77-S81 PolarHBondContact O-N 3.16Å; L78-S81 WeakPolarHBondContact O-CB 3.16Å; L78-S81 PolarHBondContact O-N 3.35Å; A79-S81 PolarHBondContact O-N 3.39Å; S81-L83 PolarHBondContact O-N 3.12Å; S81-R84 PolarHBondContact O-N 2.99Å; S81-I85 WeakPolarHBondContact O-CB 3.37Å; S81-I85 WeakPolarHBondContact O-CG1 3.46Å; S81-I85 PolarHBondContact O-N 3.14Å; S81-H159 WeakPolarHBondContact CA-CE1 3.44Å; S81-H159 WeakPolarHBondContact CA-ND1 3.22Å; S81-H159 WeakPolarHBondContact CA-NE2 3.48Å; S81-H159 WeakPolarHBondContact CB-CE1 2.96Å; S81-H159 WeakPolarHBondContact CB-ND1 3.21Å; S81-H159 PolarHBondContact OG-CE1 3.43Å; S81-H159 PolarHBondContact OG-ND1 2.88Å
82	Y	89.9	Confident	84.9	Confident	50 Å²	50	57.7 Å²	57.7	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-40.8	-180	176.9	-102.6	0	0	0	110.8	P61 L78 A79 V80 R84 I85 K86 Q726	P61-Y82 HydrophobicContact CG-CD2 3.75Å; P61-Y82 HydrophobicContact CG-CE2 3.9Å; L78-Y82 WeakPolarHBondContact O-CB 3.22Å; L78-Y82 PolarHBondContact O-N 3.44Å; A79-Y82 PolarHBondContact O-N 3.47Å; V80-Y82 PolarHBondContact O-N 3.16Å; Y82-R84 VanDerWaalsContact C-N 3.28Å; Y82-R84 PolarHBondContact O-N 3.38Å; Y82-I85 PolarHBondContact O-N 3.33Å; Y82-K86 HydrophobicContact CE1-CD 4.23Å; Y82-K86 VanDerWaalsContact O-CB 3.3Å; Y82-K86 WeakPolarHBondContact O-CB 3.5Å; Y82-K86 PolarHBondContact O-N 3.38Å; Y82-Q726 PolarHBondContact OH-OE1 3.22Å
83	L	90	Very high	82.9	Confident	101 Å²	101	55.6 Å²	55.6	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-68.3	-37.6	-179.1	-69.9	175.4	0	0	0	110.5	A79 V80 S81 I85 K86 C87	A79-L83 WeakPolarHBondContact O-CG 3.38Å; A79-L83 PolarHBondContact O-N 2.65Å; A79-L83 VanDerWaalsContact O-N 3.08Å; V80-L83 PolarHBondContact O-N 2.79Å; S81-L83 PolarHBondContact O-N 3.12Å; L83-I85 PolarHBondContact O-N 3.01Å; L83-K86 PolarHBondContact O-N 3.16Å; L83-C87 VanDerWaalsContact O-CB 3.29Å; L83-C87 WeakPolarHBondContact O-CB 3.38Å; L83-C87 PolarHBondContact O-N 2.89Å; L83-C87 PolarHBondContact O-SG 3.3Å
84	R	86.7	Confident	80.8	Confident	97 Å²	97	56 Å²	56	37%	0.366	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-42.2	179	-75.2	-172.3	174.1	-178.9	2	110.7	V80 S81 Y82 K86 C87 Y88 E138 F140 H159	V80-R84 HydrophobicContact CG1-CG 4.25Å; V80-R84 VanDerWaalsContact O-CG 3.28Å; V80-R84 WeakPolarHBondContact O-CG 3.19Å; V80-R84 PolarHBondContact O-N 2.88Å; S81-R84 PolarHBondContact O-N 2.99Å; Y82-R84 VanDerWaalsContact C-N 3.28Å; Y82-R84 PolarHBondContact O-N 3.38Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-C87 PolarHBondContact O-N 3.4Å; R84-Y88 WeakPolarHBondContact O-CB 3.49Å; R84-Y88 PolarHBondContact O-N 3.3Å; R84-E138 IonicContact NH1-OE1 2.77Å; R84-F140 HydrophobicContact CB-CE2 4.01Å; R84-F140 HydrophobicContact CB-CZ 4.37Å; R84-H159 WeakPolarHBondContact CD-NE2 3.31Å
85	I	84.5	Confident	78.2	Confident	30 Å²	30	61.1 Å²	61.1	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-45.6	-179.6	-70.1	170	0	0	0	109.4	S81 Y82 L83 C87 Y88 F89 F140	S81-I85 WeakPolarHBondContact O-CB 3.37Å; S81-I85 WeakPolarHBondContact O-CG1 3.46Å; S81-I85 PolarHBondContact O-N 3.14Å; Y82-I85 PolarHBondContact O-N 3.33Å; L83-I85 PolarHBondContact O-N 3.01Å; I85-C87 PolarHBondContact O-N 3.22Å; I85-Y88 WeakPolarHBondContact O-CB 3.05Å; I85-Y88 PolarHBondContact O-N 2.83Å; I85-F89 HydrophobicContact CG2-CD2 3.49Å; I85-F89 VanDerWaalsContact CG2-CD2 3.49Å; I85-F89 HydrophobicContact CG2-CE2 3.35Å; I85-F89 WeakPolarHBondContact O-CD2 3.26Å; I85-F89 PolarHBondContact O-N 3.25Å; I85-F140 HydrophobicContact CG1-CD1 4.44Å; I85-F140 HydrophobicContact CG1-CE1 4.03Å; I85-F140 HydrophobicContact CG1-CZ 4.26Å
86	K	83.6	Confident	75.8	Confident	112 Å²	112	69.1 Å²	69.1	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-57.8	-43.6	177.9	-170.5	177.5	173.9	178.1	0	111.4	Y82 L83 R84 Y88 F89 H90	Y82-K86 HydrophobicContact CE1-CD 4.23Å; Y82-K86 VanDerWaalsContact O-CB 3.3Å; Y82-K86 WeakPolarHBondContact O-CB 3.5Å; Y82-K86 PolarHBondContact O-N 3.38Å; L83-K86 PolarHBondContact O-N 3.16Å; R84-K86 VanDerWaalsContact C-N 3.25Å; K86-Y88 PolarHBondContact O-N 2.96Å; K86-F89 PolarHBondContact O-N 1.76Å; K86-H90 WeakPolarHBondContact O-CB 3.37Å; K86-H90 PolarHBondContact O-N 3Å
87	C	79.7	Confident	73.5	Confident	65 Å²	65	66.4 Å²	66.4	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-40	-179.3	-72.6	0	0	0	0	110	L83 R84 I85 F89 H90 A91	L83-C87 VanDerWaalsContact O-CB 3.29Å; L83-C87 WeakPolarHBondContact O-CB 3.38Å; L83-C87 PolarHBondContact O-N 2.89Å; L83-C87 PolarHBondContact O-SG 3.3Å; R84-C87 PolarHBondContact O-N 3.4Å; I85-C87 PolarHBondContact O-N 3.22Å; C87-F89 VanDerWaalsContact C-N 3.25Å; C87-F89 PolarHBondContact O-N 3.37Å; C87-H90 PolarHBondContact O-N 3.4Å; C87-A91 WeakPolarHBondContact O-CB 3.37Å; C87-A91 PolarHBondContact O-N 2.94Å
88	Y	76.3	Confident	71.1	Confident	11 Å²	11	68 Å²	68	4%	0.043	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-45	-179.5	174.6	-100.7	0	0	0	110.4	R84 I85 K86 H90 A91 L92 F140 L235 H236 F285	R84-Y88 WeakPolarHBondContact O-CB 3.49Å; R84-Y88 PolarHBondContact O-N 3.3Å; I85-Y88 WeakPolarHBondContact O-CB 3.05Å; I85-Y88 PolarHBondContact O-N 2.83Å; K86-Y88 PolarHBondContact O-N 2.96Å; Y88-H90 PolarHBondContact O-N 3.08Å; Y88-A91 PolarHBondContact O-N 3.22Å; Y88-L92 HydrophobicContact CD1-CD1 3.69Å; Y88-L92 HydrophobicContact CE1-CD1 3.16Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.26Å; Y88-L92 HydrophobicContact CG-CD1 4.42Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.5Å; Y88-L92 WeakPolarHBondContact O-CG 3.5Å; Y88-L92 PolarHBondContact O-N 3.36Å; Y88-F140 HydrophobicContact CD1-CE1 4.36Å; Y88-F140 HydrophobicContact CG-CE1 4.14Å; Y88-F140 HydrophobicContact CG-CZ 4.17Å; Y88-L235 HydrophobicContact CD2-CB 4.38Å; Y88-L235 HydrophobicContact CD2-CD2 4.45Å; Y88-L235 HydrophobicContact CE2-CB 4.24Å; Y88-L235 HydrophobicContact CE2-CD2 4.04Å; Y88-H236 WeakPolarHBondContact CA-O 3.07Å; Y88-H236 HydrophobicContact CD2-CB 4.39Å; Y88-H236 WeakPolarHBondContact CD2-O 3.5Å; Y88-H236 HydrophobicContact CE2-CB 4.28Å; Y88-F285 HydrophobicContact CE1-CE1 4.35Å; Y88-F285 HydrophobicContact CE1-CZ 4.39Å; Y88-F285 HydrophobicContact CE2-CZ 4.37Å; Y88-F285 AromaticContact CZ-CZ 3.74Å; Y88-F285 WeakPolarHBondContact OH-CE1 3.05Å; Y88-F285 WeakPolarHBondContact OH-CZ 3.35Å
89	F	71.7	Confident	68.4	Low	39 Å²	39	72.6 Å²	72.6	17%	0.171	37%	0.367	C	S	.	.	H	α-helix	trans	-80	-24.7	-174.6	-77.3	-70.9	0	0	0	110.4	I85 K86 C87 A91 L92 A715 V716 A719	I85-F89 HydrophobicContact CG2-CD2 3.49Å; I85-F89 VanDerWaalsContact CG2-CD2 3.49Å; I85-F89 HydrophobicContact CG2-CE2 3.35Å; I85-F89 WeakPolarHBondContact O-CD2 3.26Å; I85-F89 PolarHBondContact O-N 3.25Å; K86-F89 PolarHBondContact O-N 1.76Å; C87-F89 VanDerWaalsContact C-N 3.25Å; C87-F89 PolarHBondContact O-N 3.37Å; F89-A91 VanDerWaalsContact C-N 3.27Å; F89-L92 HydrophobicContact CD1-CD1 4.22Å; F89-L92 PolarHBondContact O-N 3.23Å; F89-A715 HydrophobicContact CE1-CB 4.25Å; F89-A715 HydrophobicContact CZ-CB 4.36Å; F89-V716 HydrophobicContact CD1-CG2 4.44Å; F89-V716 HydrophobicContact CE1-CG2 4.48Å; F89-A719 HydrophobicContact CB-CB 4.44Å; F89-A719 HydrophobicContact CD1-CB 3.95Å; F89-A719 HydrophobicContact CD2-CB 3.62Å; F89-A719 HydrophobicContact CE1-CB 4.05Å; F89-A719 HydrophobicContact CE2-CB 3.71Å; F89-A719 HydrophobicContact CG-CB 3.75Å; F89-A719 HydrophobicContact CZ-CB 3.93Å
90	H	71.7	Confident	66	Low	153 Å²	153	79.1 Å²	79.1	71%	0.708	40%	0.395	S	S	*	.	H	α-helix	trans	-69.3	-39.1	173.7	-173	-94.4	0	0	0	110.4	K86 C87 Y88 L92 S93	K86-H90 WeakPolarHBondContact O-CB 3.37Å; K86-H90 PolarHBondContact O-N 3Å; C87-H90 PolarHBondContact O-N 3.4Å; Y88-H90 PolarHBondContact O-N 3.08Å; H90-L92 PolarHBondContact O-N 3.42Å; H90-S93 PolarHBondContact O-N 3.26Å
91	A	62	Low	63.5	Low	47 Å²	47	77.7 Å²	77.7	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-22.4	179.6	0	0	0	0	0	110.6	C87 Y88 F89 S93 H236	C87-A91 WeakPolarHBondContact O-CB 3.37Å; C87-A91 PolarHBondContact O-N 2.94Å; Y88-A91 PolarHBondContact O-N 3.22Å; F89-A91 VanDerWaalsContact C-N 3.27Å; A91-S93 PolarHBondContact O-N 3.38Å; A91-H236 HydrophobicContact CB-CB 4.36Å
92	L	62.1	Low	60.9	Low	40 Å²	40	85.4 Å²	85.4	21%	0.209	41%	0.414	C	S	.	.	S	Bend	trans	-87	0	178.4	-71.7	169.6	0	0	0	110	Y88 F89 H90 F94 I97	Y88-L92 HydrophobicContact CD1-CD1 3.69Å; Y88-L92 HydrophobicContact CE1-CD1 3.16Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.26Å; Y88-L92 HydrophobicContact CG-CD1 4.42Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.5Å; Y88-L92 WeakPolarHBondContact O-CG 3.5Å; Y88-L92 PolarHBondContact O-N 3.36Å; F89-L92 HydrophobicContact CD1-CD1 4.22Å; F89-L92 PolarHBondContact O-N 3.23Å; H90-L92 PolarHBondContact O-N 3.42Å; L92-F94 PolarHBondContact O-N 3.3Å; L92-I97 HydrophobicContact CB-CD1 4.23Å
93	S	49.7	Very low	58.6	Low	67 Å²	67	86.8 Å²	86.8	47%	0.469	43%	0.425	S	S	.	.				0	0	0	-43.6	0	0	0	0	111.1	H90 A91 D95 R96	H90-S93 PolarHBondContact O-N 3.26Å; A91-S93 PolarHBondContact O-N 3.38Å; S93-D95 PolarHBondContact O-N 3.45Å; S93-R96 PolarHBondContact O-N 3.03Å
94	F	46.7	Very low	56.3	Low	130 Å²	130	83 Å²	83	57%	0.57	41%	0.406	S	S	*	.	H	α-helix		0	0	0	-121.5	-89.3	0	0	0	111.2	L92 I98 V716 A720	L92-F94 PolarHBondContact O-N 3.3Å; F94-I98 HydrophobicContact CD1-CD1 3.96Å; F94-I98 WeakPolarHBondContact O-CD1 3.46Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 2.23Å; F94-I98 PolarHBondContact O-N 3.37Å; F94-V716 HydrophobicContact CE2-CG1 4.28Å; F94-V716 HydrophobicContact CZ-CG1 4.31Å; F94-A720 HydrophobicContact CE2-CB 4.41Å; F94-A720 HydrophobicContact CZ-CB 4.25Å
95	D	39.3	Very low	53.7	Low	122 Å²	122	81.5 Å²	81.5	65%	0.652	41%	0.41	S	S	*	.	H	α-helix		0	0	0	-93	-16.4	0	0	0	110.9	S93 T99	S93-D95 PolarHBondContact O-N 3.45Å; D95-T99 WeakPolarHBondContact O-CB 3.17Å; D95-T99 PolarHBondContact O-N 3.46Å; D95-T99 CovalentContact O-OG1 1.65Å; D95-T99 PolarHBondContact O-OG1 3.08Å
96	R	43.3	Very low	51.6	Low	179 Å²	179	87 Å²	87	68%	0.675	44%	0.435	S	S	*	.	H	α-helix		0	-21.7	0	-103.2	-174.6	180	-152.7	1.3	111.1	S93 E100	S93-R96 PolarHBondContact O-N 3.03Å; R96-E100 WeakPolarHBondContact O-CB 3.31Å; R96-E100 PolarHBondContact O-N 3.37Å
97	I	46.1	Very low	49.4	Very low	30 Å²	30	85.8 Å²	85.8	15%	0.154	43%	0.433	C	S	.	.	H	α-helix	trans	-84.1	0	-178.5	-66	172.5	0	0	0	109.2	L92 N101 V716	L92-I97 HydrophobicContact CB-CD1 4.23Å; I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 2.84Å; I97-N101 PolarHBondContact O-ND2 2.89Å; I97-V716 HydrophobicContact CD1-CB 4.3Å; I97-V716 HydrophobicContact CD1-CG1 4.26Å; I97-V716 HydrophobicContact CD1-CG2 3.2Å
98	I	41.3	Very low	47.4	Very low	68 Å²	68	89.6 Å²	89.6	35%	0.349	44%	0.439	S	S	.	.	H	α-helix		0	-23.5	0	-64.7	176.7	0	0	0	109	F94	F94-I98 HydrophobicContact CD1-CD1 3.96Å; F94-I98 WeakPolarHBondContact O-CD1 3.46Å; F94-I98 VanDerWaalsContact O-CG1 3.24Å; F94-I98 WeakPolarHBondContact O-CG1 2.23Å; F94-I98 PolarHBondContact O-N 3.37Å
99	T	38.8	Very low	45.6	Very low	100 Å²	100	97.5 Å²	97.5	61%	0.613	48%	0.476	S	S	*	.	H	α-helix	trans	-94.9	0	-173.4	-5	0	0	0	0	109.6	D95	D95-T99 WeakPolarHBondContact O-CB 3.17Å; D95-T99 PolarHBondContact O-N 3.46Å; D95-T99 CovalentContact O-OG1 1.65Å; D95-T99 PolarHBondContact O-OG1 3.08Å
100	E	41.1	Very low	43.7	Very low	151 Å²	151	98.2 Å²	98.2	71%	0.706	49%	0.485	S	S	*	.	H	α-helix		0	0	0	-81.8	-171.6	174.1	0	0	110	R96	R96-E100 WeakPolarHBondContact O-CB 3.31Å; R96-E100 PolarHBondContact O-N 3.37Å
101	N	38.9	Very low	41.9	Very low	39 Å²	39	97 Å²	97	21%	0.209	49%	0.491	C	S	.	.				0	0	0	-82.5	-31.6	0	0	0	109.6	I97 L103 V104 A709	I97-N101 WeakPolarHBondContact O-CB 3.45Å; I97-N101 PolarHBondContact O-N 2.84Å; I97-N101 PolarHBondContact O-ND2 2.89Å; N101-L103 PolarHBondContact O-N 2.9Å; N101-V104 HydrophobicContact CB-CG2 4.31Å; N101-V104 PolarHBondContact O-N 2.87Å; N101-A709 WeakPolarHBondContact OD1-CB 3.35Å
102	R	36.6	Very low	40.5	Very low	162 Å²	162	100.9 Å²	100.9	61%	0.611	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-89.8	-167.6	-178.4	175.4	1.2	111.1	V104 S105	R102-V104 VanDerWaalsContact C-N 3.32Å; R102-S105 WeakPolarHBondContact O-CB 3.39Å; R102-S105 PolarHBondContact O-N 3.47Å
103	L	40.6	Very low	39.3	Very low	80 Å²	80	103.9 Å²	103.9	42%	0.419	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn		0	1.6	0	-70.9	178	0	0	0	110.9	N101 S105	N101-L103 PolarHBondContact O-N 2.9Å; L103-S105 PolarHBondContact O-N 3.03Å
104	V	41.7	Very low	39	Very low	21 Å²	21	103 Å²	103	13%	0.127	51%	0.506	C	S	.	.	H	α-helix	trans	-87.1	0	171.2	179.6	0	0	0	0	108.9	N101 R102 L107 Y108 L114	N101-V104 HydrophobicContact CB-CG2 4.31Å; N101-V104 PolarHBondContact O-N 2.87Å; R102-V104 VanDerWaalsContact C-N 3.32Å; V104-L107 PolarHBondContact O-N 3.28Å; V104-Y108 VanDerWaalsContact C-CD2 3.42Å; V104-Y108 HydrophobicContact CB-CD2 4.45Å; V104-Y108 HydrophobicContact CB-CE2 4.18Å; V104-Y108 HydrophobicContact CG1-CD2 3.52Å; V104-Y108 HydrophobicContact CG1-CE2 2.96Å; V104-Y108 WeakPolarHBondContact O-CD2 3.42Å; V104-Y108 WeakPolarHBondContact O-CE2 3.21Å; V104-Y108 PolarHBondContact O-N 2.72Å; V104-L114 HydrophobicContact CG1-CD2 4.2Å
105	S	33.1	Very low	38.8	Very low	65 Å²	65	103.9 Å²	103.9	46%	0.455	52%	0.516	S	S	.	.	H	α-helix		0	0	0	-74.7	0	0	0	0	110.2	R102 L103 Y108	R102-S105 WeakPolarHBondContact O-CB 3.39Å; R102-S105 PolarHBondContact O-N 3.47Å; L103-S105 PolarHBondContact O-N 3.03Å; S105-Y108 PolarHBondContact O-N 3.35Å
106	H	39.2	Very low	38.9	Very low	146 Å²	146	107.9 Å²	107.9	68%	0.676	52%	0.522	S	S	*	.	H	α-helix		0	-9.9	0	-71.6	-71.5	0	0	0	111	Y108	H106-Y108 VanDerWaalsContact C-N 3.25Å
107	L	38.6	Very low	39.1	Very low	87 Å²	87	102.8 Å²	102.8	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-88	0	172.8	-82.2	152.6	0	0	0	110.7	V104 L114	V104-L107 PolarHBondContact O-N 3.28Å; L107-L114 HydrophobicContact CB-CD1 3.74Å; L107-L114 HydrophobicContact CD2-CD1 3.94Å; L107-L114 HydrophobicContact CG-CD1 4.29Å
108	Y	36.9	Very low	39.6	Very low	144 Å²	144	107.3 Å²	107.3	57%	0.565	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-89	-86.2	0	0	0	109.9	V104 S105 H106	V104-Y108 VanDerWaalsContact C-CD2 3.42Å; V104-Y108 HydrophobicContact CB-CD2 4.45Å; V104-Y108 HydrophobicContact CB-CE2 4.18Å; V104-Y108 HydrophobicContact CG1-CD2 3.52Å; V104-Y108 HydrophobicContact CG1-CE2 2.96Å; V104-Y108 WeakPolarHBondContact O-CD2 3.42Å; V104-Y108 WeakPolarHBondContact O-CE2 3.21Å; V104-Y108 PolarHBondContact O-N 2.72Å; S105-Y108 PolarHBondContact O-N 3.35Å; H106-Y108 VanDerWaalsContact C-N 3.25Å
109	H	39.3	Very low	40.7	Very low	177 Å²	177	104.6 Å²	104.6	82%	0.819	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-96.7	-59.8	0	0	0	110.4
110	C	30.9	Very low	42.1	Very low	54 Å²	54	105.1 Å²	105.1	37%	0.365	51%	0.512	S	S	.	.	S	Bend		0	113.5	0	-143.6	0	0	0	0	110.3	F112	C110-F112 HydrophobicContact CB-CB 4.4Å; C110-F112 HydrophobicContact CB-CD2 3.76Å; C110-F112 PolarHBondContact O-N 2.91Å; C110-F112 WeakPolarHBondContact SG-CD2 3.44Å; C110-F112 VanDerWaalsContact SG-CE2 3.5Å
111	P	34	Very low	43.4	Very low	128 Å²	128	100 Å²	100	83%	0.831	50%	0.496	S	S	*	.	S	Bend	trans	-39.7	0	178.9	14.3	2.6	0	0	0	111.8
112	F	33.3	Very low	45	Very low	128 Å²	128	101.1 Å²	101.1	56%	0.561	51%	0.506	S	S	*	.				0	101.2	0	-76.9	-80.8	0	0	0	109.5	C110 L114	C110-F112 HydrophobicContact CB-CB 4.4Å; C110-F112 HydrophobicContact CB-CD2 3.76Å; C110-F112 PolarHBondContact O-N 2.91Å; C110-F112 WeakPolarHBondContact SG-CD2 3.44Å; C110-F112 VanDerWaalsContact SG-CE2 3.5Å; F112-L114 PolarHBondContact O-N 3.25Å; F112-L114 VanDerWaalsContact O-N 3.11Å
113	D	36.9	Very low	47	Very low	104 Å²	104	94.9 Å²	94.9	56%	0.556	49%	0.485	S	S	*	.			trans	-38.2	73.9	164.6	-122	-18.7	0	0	0	111.6	N115 R116	D113-N115 PolarHBondContact O-N 3.24Å; D113-R116 HydrophobicContact CB-CB 3.85Å; D113-R116 WeakPolarHBondContact O-CB 3.4Å; D113-R116 PolarHBondContact O-N 3.37Å
114	L	42.3	Very low	48.4	Very low	47 Å²	47	97.8 Å²	97.8	25%	0.246	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.1	-13.6	172.6	-131.4	85.6	0	0	0	111	V104 L107 F112 R116 I117	V104-L114 HydrophobicContact CG1-CD2 4.2Å; L107-L114 HydrophobicContact CB-CD1 3.74Å; L107-L114 HydrophobicContact CD2-CD1 3.94Å; L107-L114 HydrophobicContact CG-CD1 4.29Å; F112-L114 PolarHBondContact O-N 3.25Å; F112-L114 VanDerWaalsContact O-N 3.11Å; L114-R116 PolarHBondContact O-N 2.93Å; L114-I117 HydrophobicContact CD1-CD1 4.14Å
115	N	42.2	Very low	50	Low	149 Å²	149	99.5 Å²	99.5	80%	0.797	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.8	172.9	-75	-19	0	0	0	111.4	D113	D113-N115 PolarHBondContact O-N 3.24Å
116	R	41.7	Very low	52	Low	207 Å²	207	98 Å²	98	78%	0.781	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	0	-176.3	-123.8	175.1	113.2	178.1	1	110	D113 L114 E118	D113-R116 HydrophobicContact CB-CB 3.85Å; D113-R116 WeakPolarHBondContact O-CB 3.4Å; D113-R116 PolarHBondContact O-N 3.37Å; L114-R116 PolarHBondContact O-N 2.93Å; R116-E118 PolarHBondContact O-N 3.31Å; R116-E118 VanDerWaalsContact O-N 3.13Å
117	I	47.7	Very low	53.8	Low	71 Å²	71	95.1 Å²	95.1	36%	0.364	49%	0.489	S	S	.	.	S	Bend		0	97.3	0	-66.7	173.6	0	0	0	109	L114 G119	L114-I117 HydrophobicContact CD1-CD1 4.14Å; I117-G119 PolarHBondContact O-N 3.01Å; I117-G119 VanDerWaalsContact O-N 3.13Å
118	E	57	Low	56	Low	126 Å²	126	91 Å²	91	59%	0.589	47%	0.467	S	S	*	.			trans	-38.6	0	177.4	-132.1	176.4	179.4	0	0	111.6	R116 E120 A121 C122	R116-E118 PolarHBondContact O-N 3.31Å; R116-E118 VanDerWaalsContact O-N 3.13Å; E118-E120 HydrophobicContact CB-CB 4.46Å; E118-E120 HydrophobicContact CG-CB 4.3Å; E118-E120 CarbonylContact O-C 3.51Å; E118-E120 WeakPolarHBondContact O-CA 3.18Å; E118-E120 PolarHBondContact O-N 2.81Å; E118-A121 HydrophobicContact CB-CB 4.34Å; E118-A121 PolarHBondContact O-N 3.25Å; E118-C122 PolarHBondContact O-N 2.88Å
119	G	65.1	Low	58.5	Low	11 Å²	11	84.1 Å²	84.1	11%	0.113	44%	0.441	C	S	.	.	H	α-helix		0	-27.6	0	0	0	0	0	0	112.5	I117 L123	I117-G119 PolarHBondContact O-N 3.01Å; I117-G119 VanDerWaalsContact O-N 3.13Å; G119-L123 WeakPolarHBondContact O-CG 3.23Å; G119-L123 PolarHBondContact O-N 3.02Å
120	E	67.7	Low	61	Low	110 Å²	110	77 Å²	77	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-82.7	-36	-175.8	-74.8	-172.6	173.1	0	0	111.3	E118 C122 L123 Q124	E118-E120 HydrophobicContact CB-CB 4.46Å; E118-E120 HydrophobicContact CG-CB 4.3Å; E118-E120 CarbonylContact O-C 3.51Å; E118-E120 WeakPolarHBondContact O-CA 3.18Å; E118-E120 PolarHBondContact O-N 2.81Å; E120-C122 PolarHBondContact O-N 2.96Å; E120-L123 PolarHBondContact O-N 2.85Å; E120-Q124 WeakPolarHBondContact O-CB 3.38Å; E120-Q124 WeakPolarHBondContact O-CG 3.18Å; E120-Q124 PolarHBondContact O-N 3.02Å
121	A	68.6	Low	64	Low	45 Å²	45	74.5 Å²	74.5	37%	0.372	39%	0.391	S	S	.	.	H	α-helix	trans	-68.1	-34.8	179	0	0	0	0	0	111.1	E118 L123 Q124 A125	E118-A121 HydrophobicContact CB-CB 4.34Å; E118-A121 PolarHBondContact O-N 3.25Å; A121-L123 VanDerWaalsContact C-N 3.31Å; A121-Q124 PolarHBondContact O-N 2.74Å; A121-A125 WeakPolarHBondContact O-CB 3.12Å; A121-A125 PolarHBondContact O-N 3.32Å
122	C	71.1	Confident	66.8	Low	62 Å²	62	68.7 Å²	68.7	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-40.9	178.1	-71.7	0	0	0	0	111.1	E118 E120 Q124 A125 L126	E118-C122 PolarHBondContact O-N 2.88Å; E120-C122 PolarHBondContact O-N 2.96Å; C122-Q124 PolarHBondContact O-N 3.36Å; C122-A125 PolarHBondContact O-N 3.38Å; C122-A125 VanDerWaalsContact O-N 3.15Å; C122-L126 PolarHBondContact O-N 3.34Å
123	L	78.5	Confident	69.7	Low	30 Å²	30	62.6 Å²	62.6	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-67	-29.8	-179.5	-72.1	176.2	0	0	0	111	G119 E120 A121 A125 L126 I130 T145	G119-L123 WeakPolarHBondContact O-CG 3.23Å; G119-L123 PolarHBondContact O-N 3.02Å; E120-L123 PolarHBondContact O-N 2.85Å; A121-L123 VanDerWaalsContact C-N 3.31Å; L123-A125 VanDerWaalsContact C-N 3.28Å; L123-A125 PolarHBondContact O-N 3.42Å; L123-L126 PolarHBondContact O-N 3.45Å; L123-I130 HydrophobicContact CD2-CD1 3.86Å; L123-I130 HydrophobicContact CD2-CG1 4.33Å; L123-T145 HydrophobicContact CB-CG2 3.74Å
124	Q	71.8	Confident	72.2	Confident	142 Å²	142	58 Å²	58	66%	0.664	30%	0.303	S	S	*	.	H	α-helix	trans	-76.6	-26.5	-179.6	-74.3	178.2	-9.5	0	0	110.3	E120 A121 C122 L126	E120-Q124 WeakPolarHBondContact O-CB 3.38Å; E120-Q124 WeakPolarHBondContact O-CG 3.18Å; E120-Q124 PolarHBondContact O-N 3.02Å; A121-Q124 PolarHBondContact O-N 2.74Å; C122-Q124 PolarHBondContact O-N 3.36Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.39Å
125	A	73.6	Confident	74.4	Confident	57 Å²	57	57.7 Å²	57.7	47%	0.471	30%	0.303	S	S	.	.	H	α-helix	trans	-79.7	0	-178.1	0	0	0	0	0	110.6	A121 C122 L123 N127 L1213	A121-A125 WeakPolarHBondContact O-CB 3.12Å; A121-A125 PolarHBondContact O-N 3.32Å; C122-A125 PolarHBondContact O-N 3.38Å; C122-A125 VanDerWaalsContact O-N 3.15Å; L123-A125 VanDerWaalsContact C-N 3.28Å; L123-A125 PolarHBondContact O-N 3.42Å; A125-N127 PolarHBondContact O-N 2.79Å; A125-L1213 HydrophobicContact CB-CD2 4.16Å
126	L	76.2	Confident	76.5	Confident	33 Å²	33	55.5 Å²	55.5	17%	0.173	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-175.4	71.7	0	0	0	110.5	C122 L123 Q124 G128 I130 V287	C122-L126 PolarHBondContact O-N 3.34Å; L123-L126 PolarHBondContact O-N 3.45Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.39Å; L126-G128 PolarHBondContact O-N 3.32Å; L126-I130 HydrophobicContact CD2-CD1 4.46Å; L126-I130 HydrophobicContact CD2-CG1 3.64Å; L126-V287 HydrophobicContact CD1-CG1 3.8Å; L126-V287 HydrophobicContact CD1-CG2 4.26Å; L126-V287 HydrophobicContact CD2-CG1 3.67Å; L126-V287 HydrophobicContact CD2-CG2 4.22Å; L126-V287 HydrophobicContact CG-CG1 3.72Å
127	N	76.8	Confident	78.7	Confident	86 Å²	86	45.9 Å²	45.9	46%	0.46	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn		0	46.1	0	-76.4	-2.1	0	0	0	111.9	A125 Y149 L294	A125-N127 PolarHBondContact O-N 2.79Å; N127-Y149 WeakPolarHBondContact CA-OH 3.41Å; N127-L294 HydrophobicContact CB-CD1 4.36Å
128	G	83.6	Confident	80.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-178.2	-170.6	176	0	0	0	0	0	109.9	L126 T145 Y149 C288	L126-G128 PolarHBondContact O-N 3.32Å; G128-T145 PolarHBondContact O-OG1 2.81Å; G128-T145 VanDerWaalsContact O-OG1 3.05Å; G128-Y149 PolarHBondContact N-OH 3.08Å; G128-C288 CarbonylContact C-O 3.46Å; G128-C288 WeakPolarHBondContact CA-O 3.4Å
129	F	90.9	Very high	82.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.3	179.3	54.5	-88.8	0	0	0	109.3	F131 V142 S143 T145 V146 Y149 L150 L226 C288	F129-F131 HydrophobicContact CD2-CB 4.17Å; F129-F131 HydrophobicContact CD2-CD2 4.18Å; F129-F131 HydrophobicContact CE2-CB 4.01Å; F129-F131 AromaticContact CE2-CD2 3.71Å; F129-F131 HydrophobicContact CE2-CD2 3.71Å; F129-F131 HydrophobicContact CE2-CG 4.1Å; F129-V142 HydrophobicContact CD2-CG2 4.27Å; F129-S143 VanDerWaalsContact CA-OG 3.3Å; F129-S143 WeakPolarHBondContact CA-OG 3.3Å; F129-S143 WeakPolarHBondContact CB-OG 2.68Å; F129-T145 VanDerWaalsContact CA-OG1 3.25Å; F129-T145 WeakPolarHBondContact CA-OG1 2.57Å; F129-T145 WeakPolarHBondContact CB-OG1 3.38Å; F129-V146 HydrophobicContact CB-CB 4.31Å; F129-V146 HydrophobicContact CD1-CG2 4.47Å; F129-V146 HydrophobicContact CD2-CB 4.12Å; F129-V146 HydrophobicContact CD2-CG2 4.09Å; F129-V146 HydrophobicContact CE1-CG2 4.43Å; F129-V146 HydrophobicContact CE2-CG2 4.05Å; F129-V146 HydrophobicContact CG-CB 4.08Å; F129-V146 HydrophobicContact CG-CG2 4.29Å; F129-V146 HydrophobicContact CZ-CG2 4.23Å; F129-Y149 AromaticContact CD1-CD2 3.92Å; F129-Y149 HydrophobicContact CD1-CD2 3.92Å; F129-Y149 HydrophobicContact CD1-CG 4.12Å; F129-L150 HydrophobicContact CE1-CD1 4.26Å; F129-L150 HydrophobicContact CE1-CG 4.19Å; F129-L150 HydrophobicContact CZ-CD1 3.8Å; F129-L150 HydrophobicContact CZ-CG 4.25Å; F129-L226 HydrophobicContact CE1-CD1 3.87Å; F129-L226 HydrophobicContact CZ-CD1 3.6Å; F129-C288 HydrophobicContact CD1-CB 4.14Å; F129-C288 HydrophobicContact CD2-CB 3.96Å; F129-C288 HydrophobicContact CE1-CB 3.65Å; F129-C288 HydrophobicContact CE2-CB 3.44Å; F129-C288 VanDerWaalsContact CE2-CB 3.44Å; F129-C288 VanDerWaalsContact CE2-SG 3.57Å; F129-C288 HydrophobicContact CG-CB 4.28Å; F129-C288 HydrophobicContact CZ-CB 3.27Å; F129-C288 PolarHBondContact N-O 2.44Å; F129-C288 PolarHBondContact O-N 2.73Å
130	I	92.1	Very high	83.7	Confident	28 Å²	28	38.9 Å²	38.9	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	139.6	177.9	-65.3	173.9	0	0	0	109.8	L123 L126 I132 V142 S143	L123-I130 HydrophobicContact CD2-CD1 3.86Å; L123-I130 HydrophobicContact CD2-CG1 4.33Å; L126-I130 HydrophobicContact CD2-CD1 4.46Å; L126-I130 HydrophobicContact CD2-CG1 3.64Å; I130-I132 HydrophobicContact CG2-CG1 4.33Å; I130-V142 WeakPolarHBondContact O-CA 3.24Å; I130-S143 PolarHBondContact N-OG 2.2Å; I130-S143 PolarHBondContact O-N 2.28Å
131	F	93.1	Very high	84.8	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	0	-171.8	-162.4	-108.2	0	0	0	108.7	F129 M133 V139 V142 V162 F213 A286 C288	F129-F131 HydrophobicContact CD2-CB 4.17Å; F129-F131 HydrophobicContact CD2-CD2 4.18Å; F129-F131 HydrophobicContact CE2-CB 4.01Å; F129-F131 AromaticContact CE2-CD2 3.71Å; F129-F131 HydrophobicContact CE2-CD2 3.71Å; F129-F131 HydrophobicContact CE2-CG 4.1Å; F131-M133 HydrophobicContact CD1-CE 2.78Å; F131-M133 HydrophobicContact CE1-CB 4.34Å; F131-M133 HydrophobicContact CE1-CE 2.46Å; F131-M133 HydrophobicContact CE1-SD 4.09Å; F131-M133 HydrophobicContact CG-CE 4.17Å; F131-M133 HydrophobicContact CZ-CE 3.77Å; F131-V139 HydrophobicContact CE1-CG2 4.45Å; F131-V139 HydrophobicContact CE2-CG1 4.18Å; F131-V139 HydrophobicContact CE2-CG2 4.23Å; F131-V139 HydrophobicContact CZ-CG1 4.3Å; F131-V139 HydrophobicContact CZ-CG2 3.64Å; F131-V142 HydrophobicContact CD2-CB 4.21Å; F131-V142 HydrophobicContact CD2-CG2 3.77Å; F131-V142 HydrophobicContact CE2-CB 4.47Å; F131-V142 HydrophobicContact CE2-CG2 4.21Å; F131-V162 HydrophobicContact CE1-CG2 3.88Å; F131-V162 HydrophobicContact CZ-CB 4.5Å; F131-V162 HydrophobicContact CZ-CG2 3.8Å; F131-F213 HydrophobicContact CZ-CE1 4.35Å; F131-A286 PolarHBondContact N-O 3.29Å; F131-A286 PolarHBondContact O-N 2.71Å; F131-C288 WeakPolarHBondContact CB-SG 2.81Å
132	I	93.1	Very high	86	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)		0	133.6	0	-58.2	172.2	0	0	0	109.3	I130 F140 S141 L235 F284 F285	I130-I132 HydrophobicContact CG2-CG1 4.33Å; I132-F140 HydrophobicContact CB-CB 4.41Å; I132-F140 HydrophobicContact CG2-CB 3.96Å; I132-F140 HydrophobicContact CG2-CD1 3.99Å; I132-F140 HydrophobicContact CG2-CG 4.39Å; I132-F140 WeakPolarHBondContact O-CA 3.16Å; I132-F140 WeakPolarHBondContact O-CB 3.43Å; I132-F140 PolarHBondContact O-N 2.81Å; I132-S141 PolarHBondContact N-O 3.21Å; I132-S141 PolarHBondContact O-N 2.76Å; I132-S141 VanDerWaalsContact O-N 3.1Å; I132-L235 HydrophobicContact CG2-CD2 4.16Å; I132-F284 VanDerWaalsContact CA-O 3.32Å; I132-F284 WeakPolarHBondContact CA-O 3.22Å; I132-F285 HydrophobicContact CD1-CD1 3.79Å; I132-F285 HydrophobicContact CD1-CE1 3.81Å; I132-F285 HydrophobicContact CG1-CD1 3.83Å; I132-F285 HydrophobicContact CG1-CE1 4.23Å; I132-F285 HydrophobicContact CG1-CG 4.46Å; I132-F285 HydrophobicContact CG2-CD1 4.02Å; I132-F285 HydrophobicContact CG2-CD2 4.49Å; I132-F285 HydrophobicContact CG2-CE1 3.86Å; I132-F285 HydrophobicContact CG2-CE2 4.33Å; I132-F285 HydrophobicContact CG2-CG 4.33Å; I132-F285 HydrophobicContact CG2-CZ 4.03Å
133	M	92.9	Very high	86.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158	-178.2	65.7	-176.3	68.9	0	0	109.7	F131 E138 V162 F174 L178 G283 F284	F131-M133 HydrophobicContact CD1-CE 2.78Å; F131-M133 HydrophobicContact CE1-CB 4.34Å; F131-M133 HydrophobicContact CE1-CE 2.46Å; F131-M133 HydrophobicContact CE1-SD 4.09Å; F131-M133 HydrophobicContact CG-CE 4.17Å; F131-M133 HydrophobicContact CZ-CE 3.77Å; M133-E138 CarbonylContact C-O 3.55Å; M133-E138 VanDerWaalsContact CA-O 3.27Å; M133-E138 WeakPolarHBondContact CA-O 3.16Å; M133-E138 WeakPolarHBondContact CB-O 2.68Å; M133-V162 HydrophobicContact CE-CG2 4.25Å; M133-V162 HydrophobicContact SD-CG1 4.25Å; M133-F174 HydrophobicContact CE-CE2 4.44Å; M133-F174 HydrophobicContact CE-CZ 3.75Å; M133-F174 HydrophobicContact SD-CE1 3.89Å; M133-F174 HydrophobicContact SD-CE2 4.32Å; M133-F174 HydrophobicContact SD-CZ 3.27Å; M133-F174 WeakPolarHBondContact SD-CZ 3.44Å; M133-L178 HydrophobicContact CG-CD2 4.4Å; M133-L178 HydrophobicContact SD-CD1 4.2Å; M133-L178 HydrophobicContact SD-CD2 4.02Å; M133-G283 CarbonylContact O-C 3.51Å; M133-G283 VanDerWaalsContact O-C 3.27Å; M133-G283 WeakPolarHBondContact O-CA 3.12Å; M133-F284 HydrophobicContact CE-CD1 4.37Å; M133-F284 HydrophobicContact CG-CB 3.67Å; M133-F284 HydrophobicContact CG-CD1 4.25Å; M133-F284 HydrophobicContact CG-CG 4.49Å; M133-F284 PolarHBondContact N-O 3.42Å; M133-F284 PolarHBondContact O-N 3.12Å; M133-F284 HydrophobicContact SD-CD1 4.27Å
134	S	90.4	Very high	87.4	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	157.8	175	82.6	0	0	0	0	111.1	D136 G137 E138	S134-D136 PolarHBondContact O-N 3.17Å; S134-D136 WeakPolarHBondContact OG-CB 2.7Å; S134-D136 PolarHBondContact OG-N 3.48Å; S134-D136 VanDerWaalsContact OG-N 3.12Å; S134-G137 PolarHBondContact O-N 3.36Å; S134-G137 PolarHBondContact OG-N 2.69Å; S134-E138 PolarHBondContact N-O 2.77Å; S134-E138 PolarHBondContact OG-N 3.21Å
135	C	88.8	Confident	88.2	Confident	39 Å²	39	28.5 Å²	28.5	26%	0.264	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.7	-178.8	-71.2	0	0	0	0	110.5	G137 L282	C135-G137 PolarHBondContact O-N 3.15Å; C135-L282 PolarHBondContact N-O 3.34Å; C135-L282 VanDerWaalsContact N-O 3.1Å; C135-L282 VanDerWaalsContact SG-C 3.54Å; C135-L282 WeakPolarHBondContact SG-CB 3.04Å; C135-L282 WeakPolarHBondContact SG-CD2 2.94Å; C135-L282 WeakPolarHBondContact SG-CG 3.44Å; C135-L282 PolarHBondContact SG-O 2.82Å
136	D	86	Confident	89.1	Confident	104 Å²	104	25.8 Å²	25.8	56%	0.556	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.1	174.8	-64.4	-31.8	0	0	0	111.2	S134 R240	S134-D136 PolarHBondContact O-N 3.17Å; S134-D136 WeakPolarHBondContact OG-CB 2.7Å; S134-D136 PolarHBondContact OG-N 3.48Å; S134-D136 VanDerWaalsContact OG-N 3.12Å; D136-R240 IonicContact OD2-CZ 3.08Å; D136-R240 IonicContact OD2-NH1 3.9Å; D136-R240 PolarHBondContact OD2-NH1 3.35Å; D136-R240 VanDerWaalsContact OD2-NH1 3.11Å; D136-R240 IonicContact OD2-NH2 3.52Å; D136-R240 PolarHBondContact OD2-NH2 3.1Å
137	G	88.1	Confident	89.7	Confident	4 Å²	4	28.1 Å²	28.1	4%	0.041	15%	0.149	C	C	.	.	S	Bend	trans	95.2	9.4	174.9	0	0	0	0	0	112.1	S134 C135 S161 V162	S134-G137 PolarHBondContact O-N 3.36Å; S134-G137 PolarHBondContact OG-N 2.69Å; C135-G137 PolarHBondContact O-N 3.15Å; G137-S161 CarbonylContact O-C 3.39Å; G137-S161 WeakPolarHBondContact O-CA 2.93Å; G137-V162 WeakPolarHBondContact O-CB 3.39Å; G137-V162 WeakPolarHBondContact O-CG1 3.47Å; G137-V162 PolarHBondContact O-N 2.87Å
138	E	91.6	Very high	90.1	Very high	54 Å²	54	29.7 Å²	29.7	25%	0.252	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-94	136.7	179	-170.9	-176	166.2	0	0	109.4	R84 M133 S134 F140 H159	R84-E138 IonicContact NH1-OE1 2.77Å; M133-E138 CarbonylContact C-O 3.55Å; M133-E138 VanDerWaalsContact CA-O 3.27Å; M133-E138 WeakPolarHBondContact CA-O 3.16Å; M133-E138 WeakPolarHBondContact CB-O 2.68Å; S134-E138 PolarHBondContact N-O 2.77Å; S134-E138 PolarHBondContact OG-N 3.21Å; E138-F140 PolarHBondContact O-N 3.34Å; E138-H159 WeakPolarHBondContact OE1-CA 2.53Å; E138-H159 WeakPolarHBondContact OE1-CB 3.16Å; E138-H159 IonicContact OE1-CD2 3.54Å; E138-H159 PolarHBondContact OE1-CD2 2.88Å; E138-H159 IonicContact OE1-CG 3.88Å
139	V	93.1	Very high	90.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.6	-176.8	177.8	0	0	0	0	109.2	F131 V142 I157 L158 H159 Q160 V162	F131-V139 HydrophobicContact CE1-CG2 4.45Å; F131-V139 HydrophobicContact CE2-CG1 4.18Å; F131-V139 HydrophobicContact CE2-CG2 4.23Å; F131-V139 HydrophobicContact CZ-CG1 4.3Å; F131-V139 HydrophobicContact CZ-CG2 3.64Å; V139-V142 HydrophobicContact CG1-CB 4.42Å; V139-I157 HydrophobicContact CB-CG2 4.3Å; V139-I157 HydrophobicContact CG1-CG2 4.21Å; V139-I157 HydrophobicContact CG2-CG2 3.79Å; V139-L158 HydrophobicContact CG1-CD2 4.42Å; V139-H159 VanDerWaalsContact O-CA 3.3Å; V139-H159 WeakPolarHBondContact O-CA 3.47Å; V139-H159 PolarHBondContact O-N 3.29Å; V139-Q160 WeakPolarHBondContact CG2-O 2.93Å; V139-Q160 PolarHBondContact N-O 3.41Å; V139-V162 HydrophobicContact CG2-CB 4.14Å
140	F	90.5	Very high	90.2	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-45.8	-178.8	-175.2	-103.2	0	0	0	110.1	R84 I85 Y88 I132 E138 L235 Q238	R84-F140 HydrophobicContact CB-CE2 4.01Å; R84-F140 HydrophobicContact CB-CZ 4.37Å; I85-F140 HydrophobicContact CG1-CD1 4.44Å; I85-F140 HydrophobicContact CG1-CE1 4.03Å; I85-F140 HydrophobicContact CG1-CZ 4.26Å; Y88-F140 HydrophobicContact CD1-CE1 4.36Å; Y88-F140 HydrophobicContact CG-CE1 4.14Å; Y88-F140 HydrophobicContact CG-CZ 4.17Å; I132-F140 HydrophobicContact CB-CB 4.41Å; I132-F140 HydrophobicContact CG2-CB 3.96Å; I132-F140 HydrophobicContact CG2-CD1 3.99Å; I132-F140 HydrophobicContact CG2-CG 4.39Å; I132-F140 WeakPolarHBondContact O-CA 3.16Å; I132-F140 WeakPolarHBondContact O-CB 3.43Å; I132-F140 PolarHBondContact O-N 2.81Å; E138-F140 PolarHBondContact O-N 3.34Å; F140-L235 HydrophobicContact CD1-CD2 4.19Å; F140-L235 HydrophobicContact CD2-CD1 4.29Å; F140-L235 HydrophobicContact CE1-CD2 4.37Å; F140-L235 HydrophobicContact CG-CD1 4.47Å; F140-L235 HydrophobicContact CG-CD2 4.37Å; F140-Q238 VanDerWaalsContact CD2-NE2 3.31Å; F140-Q238 HydrophobicContact CE2-CG 4.24Å; F140-Q238 VanDerWaalsContact CZ-NE2 3.35Å
141	S	90.4	Very high	90	Very high	27 Å²	27	30.4 Å²	30.4	19%	0.189	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	147	176.8	175	0	0	0	0	109.3	I132	I132-S141 PolarHBondContact N-O 3.21Å; I132-S141 PolarHBondContact O-N 2.76Å; I132-S141 VanDerWaalsContact O-N 3.1Å
142	V	92.7	Very high	89.9	Confident	10 Å²	10	31.1 Å²	31.1	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.9	179.2	60.9	0	0	0	0	108.2	F129 I130 F131 V139 V146 Q154 L158	F129-V142 HydrophobicContact CD2-CG2 4.27Å; I130-V142 WeakPolarHBondContact O-CA 3.24Å; F131-V142 HydrophobicContact CD2-CB 4.21Å; F131-V142 HydrophobicContact CD2-CG2 3.77Å; F131-V142 HydrophobicContact CE2-CB 4.47Å; F131-V142 HydrophobicContact CE2-CG2 4.21Å; V139-V142 HydrophobicContact CG1-CB 4.42Å; V142-V146 HydrophobicContact CG2-CB 3.69Å; V142-V146 HydrophobicContact CG2-CG1 3.89Å; V142-V146 HydrophobicContact CG2-CG2 4.06Å; V142-Q154 HydrophobicContact CG1-CB 3.93Å; V142-L158 HydrophobicContact CG1-CD2 4Å; V142-L158 HydrophobicContact CG1-CG 4.22Å
143	S	91.1	Very high	89.9	Confident	13 Å²	13	33 Å²	33	9%	0.091	17%	0.172	C	C	.	.			trans	-75.8	158.5	179	65.2	0	0	0	0	111.5	F129 I130 T145 V146	F129-S143 VanDerWaalsContact CA-OG 3.3Å; F129-S143 WeakPolarHBondContact CA-OG 3.3Å; F129-S143 WeakPolarHBondContact CB-OG 2.68Å; I130-S143 PolarHBondContact N-OG 2.2Å; I130-S143 PolarHBondContact O-N 2.28Å; S143-T145 PolarHBondContact O-N 3.08Å; S143-T145 PolarHBondContact OG-OG1 2.84Å; S143-V146 VanDerWaalsContact O-CG1 3.24Å; S143-V146 WeakPolarHBondContact O-CG1 3.46Å; S143-V146 PolarHBondContact O-N 2.84Å
144	K	88.3	Confident	89.8	Confident	106 Å²	106	35 Å²	35	46%	0.461	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.9	-177.4	-171.7	177	176.7	178.3	0	111.1	V146 E147	K144-V146 PolarHBondContact O-N 3.07Å; K144-V146 VanDerWaalsContact O-N 3.08Å; K144-E147 PolarHBondContact O-N 3.05Å
145	T	89.2	Confident	89.9	Confident	14 Å²	14	34.6 Å²	34.6	9%	0.086	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9	-175	53.5	0	0	0	0	110.6	L123 G128 F129 S143 E147 H148 Y149	L123-T145 HydrophobicContact CB-CG2 3.74Å; G128-T145 PolarHBondContact O-OG1 2.81Å; G128-T145 VanDerWaalsContact O-OG1 3.05Å; F129-T145 VanDerWaalsContact CA-OG1 3.25Å; F129-T145 WeakPolarHBondContact CA-OG1 2.57Å; F129-T145 WeakPolarHBondContact CB-OG1 3.38Å; S143-T145 PolarHBondContact O-N 3.08Å; S143-T145 PolarHBondContact OG-OG1 2.84Å; T145-E147 PolarHBondContact O-N 2.62Å; T145-E147 VanDerWaalsContact O-N 3.15Å; T145-H148 WeakPolarHBondContact O-CB 3.28Å; T145-H148 PolarHBondContact O-N 2.36Å; T145-Y149 WeakPolarHBondContact O-CD2 3.49Å; T145-Y149 PolarHBondContact O-N 2.42Å
146	V	91.1	Very high	90	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-32.4	179	66.3	0	0	0	0	110.1	F129 V142 S143 K144 H148 Y149 L150 I157	F129-V146 HydrophobicContact CB-CB 4.31Å; F129-V146 HydrophobicContact CD1-CG2 4.47Å; F129-V146 HydrophobicContact CD2-CB 4.12Å; F129-V146 HydrophobicContact CD2-CG2 4.09Å; F129-V146 HydrophobicContact CE1-CG2 4.43Å; F129-V146 HydrophobicContact CE2-CG2 4.05Å; F129-V146 HydrophobicContact CG-CB 4.08Å; F129-V146 HydrophobicContact CG-CG2 4.29Å; F129-V146 HydrophobicContact CZ-CG2 4.23Å; V142-V146 HydrophobicContact CG2-CB 3.69Å; V142-V146 HydrophobicContact CG2-CG1 3.89Å; V142-V146 HydrophobicContact CG2-CG2 4.06Å; S143-V146 VanDerWaalsContact O-CG1 3.24Å; S143-V146 WeakPolarHBondContact O-CG1 3.46Å; S143-V146 PolarHBondContact O-N 2.84Å; K144-V146 PolarHBondContact O-N 3.07Å; K144-V146 VanDerWaalsContact O-N 3.08Å; V146-H148 PolarHBondContact O-N 2.66Å; V146-Y149 PolarHBondContact O-N 3.07Å; V146-L150 HydrophobicContact CG2-CB 4.25Å; V146-L150 HydrophobicContact CG2-CD1 3.67Å; V146-L150 HydrophobicContact CG2-CG 4.11Å; V146-L150 PolarHBondContact O-N 3.17Å; V146-I157 HydrophobicContact CG2-CD1 4.13Å
147	E	89.7	Confident	90.3	Very high	83 Å²	83	32.3 Å²	32.3	39%	0.388	16%	0.164	S	C	.	.	H	α-helix	trans	-62.1	-31.8	-179.6	-172.6	173.1	178.2	0	0	110.9	K144 T145 Y149 G151 F152	K144-E147 PolarHBondContact O-N 3.05Å; T145-E147 PolarHBondContact O-N 2.62Å; T145-E147 VanDerWaalsContact O-N 3.15Å; E147-Y149 PolarHBondContact O-N 3.26Å; E147-G151 WeakPolarHBondContact O-CA 3.18Å; E147-G151 PolarHBondContact O-N 3.12Å; E147-F152 VanDerWaalsContact CA-O 3.27Å; E147-F152 WeakPolarHBondContact CA-O 3.5Å
148	H	86	Confident	90.5	Very high	119 Å²	119	32.8 Å²	32.8	55%	0.551	17%	0.165	S	C	*	.	H	α-helix	trans	-75.3	-22.1	-177.8	-66.1	96.5	0	0	0	111	T145 V146 L217	T145-H148 WeakPolarHBondContact O-CB 3.28Å; T145-H148 PolarHBondContact O-N 2.36Å; V146-H148 PolarHBondContact O-N 2.66Å; H148-L217 WeakPolarHBondContact O-CD1 3.01Å
149	Y	85.9	Confident	90.4	Very high	21 Å²	21	31.1 Å²	31.1	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-107.6	-33.8	-173.7	-69.1	-86.9	0	0	0	110.3	N127 G128 F129 T145 V146 E147 C215 P290 L294	N127-Y149 WeakPolarHBondContact CA-OH 3.41Å; G128-Y149 PolarHBondContact N-OH 3.08Å; F129-Y149 AromaticContact CD1-CD2 3.92Å; F129-Y149 HydrophobicContact CD1-CD2 3.92Å; F129-Y149 HydrophobicContact CD1-CG 4.12Å; T145-Y149 WeakPolarHBondContact O-CD2 3.49Å; T145-Y149 PolarHBondContact O-N 2.42Å; V146-Y149 PolarHBondContact O-N 3.07Å; E147-Y149 PolarHBondContact O-N 3.26Å; Y149-C215 PolarHBondContact O-SG 3.5Å; Y149-P290 HydrophobicContact CD1-CG 3.6Å; Y149-P290 HydrophobicContact CE1-CG 3.76Å; Y149-L294 HydrophobicContact CD1-CD2 3.07Å; Y149-L294 HydrophobicContact CE1-CD1 4.28Å; Y149-L294 HydrophobicContact CE1-CD2 2.37Å; Y149-L294 HydrophobicContact CE1-CG 3.73Å; Y149-L294 HydrophobicContact CE2-CD2 4.48Å; Y149-L294 HydrophobicContact CG-CD2 4.32Å
150	L	89.5	Confident	90.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-112.7	-20.9	-176.1	-64.9	-177.9	0	0	0	110.7	F129 V146 F152 F213 C215 L216 I224 L226	F129-L150 HydrophobicContact CE1-CD1 4.26Å; F129-L150 HydrophobicContact CE1-CG 4.19Å; F129-L150 HydrophobicContact CZ-CD1 3.8Å; F129-L150 HydrophobicContact CZ-CG 4.25Å; V146-L150 HydrophobicContact CG2-CB 4.25Å; V146-L150 HydrophobicContact CG2-CD1 3.67Å; V146-L150 HydrophobicContact CG2-CG 4.11Å; V146-L150 PolarHBondContact O-N 3.17Å; L150-F152 VanDerWaalsContact C-N 3.29Å; L150-F152 HydrophobicContact CB-CD2 3.68Å; L150-F152 HydrophobicContact CB-CE2 4.34Å; L150-F213 HydrophobicContact CD1-CB 4.34Å; L150-F213 HydrophobicContact CD1-CD1 3.98Å; L150-F213 HydrophobicContact CD1-CG 4.48Å; L150-F213 HydrophobicContact CD2-CB 3.83Å; L150-C215 HydrophobicContact CD2-CB 4.49Å; L150-C215 CarbonylContact O-C 3.51Å; L150-C215 WeakPolarHBondContact O-CA 2.98Å; L150-L216 PolarHBondContact O-N 3.4Å; L150-I224 HydrophobicContact CD2-CG2 3.24Å; L150-L226 HydrophobicContact CD1-CD1 4.27Å; L150-L226 HydrophobicContact CD2-CD1 3.72Å; L150-L226 HydrophobicContact CD2-CG 4.47Å; L150-L226 HydrophobicContact CG-CD1 4.35Å
151	G	88.7	Confident	90.4	Very high	20 Å²	20	35.8 Å²	35.8	21%	0.206	18%	0.184	C	C	.	.			trans	89	1.7	179.9	0	0	0	0	0	111.4	E147 L216	E147-G151 WeakPolarHBondContact O-CA 3.18Å; E147-G151 PolarHBondContact O-N 3.12Å; G151-L216 WeakPolarHBondContact O-CD1 2.96Å
152	F	91.4	Very high	90.6	Very high	15 Å²	15	34.5 Å²	34.5	7%	0.066	18%	0.175	C	C	.	.			trans	-95.1	138.2	178.1	-68.7	-79.4	0	0	0	109.4	E147 L150 I157 L165 R214 L216	E147-F152 VanDerWaalsContact CA-O 3.27Å; E147-F152 WeakPolarHBondContact CA-O 3.5Å; L150-F152 VanDerWaalsContact C-N 3.29Å; L150-F152 HydrophobicContact CB-CD2 3.68Å; L150-F152 HydrophobicContact CB-CE2 4.34Å; F152-I157 HydrophobicContact CB-CD1 3.04Å; F152-I157 HydrophobicContact CB-CG1 3.65Å; F152-I157 HydrophobicContact CD2-CD1 4.35Å; F152-I157 HydrophobicContact CG-CD1 3.88Å; F152-I157 HydrophobicContact CG-CG1 4.27Å; F152-L165 HydrophobicContact CD2-CD2 4.41Å; F152-L165 HydrophobicContact CE1-CD2 4.11Å; F152-L165 HydrophobicContact CE2-CD2 4.01Å; F152-L165 HydrophobicContact CZ-CD2 3.84Å; F152-R214 HydrophobicContact CE2-CB 4.05Å; F152-R214 HydrophobicContact CE2-CG 4.23Å; F152-R214 WeakPolarHBondContact CE2-O 3.4Å; F152-R214 HydrophobicContact CZ-CB 4.03Å; F152-R214 HydrophobicContact CZ-CG 3.84Å; F152-L216 HydrophobicContact CD1-CD1 3.79Å; F152-L216 HydrophobicContact CD1-CG 4.28Å; F152-L216 HydrophobicContact CE1-CD1 3.71Å; F152-L216 HydrophobicContact CE1-CD2 4.15Å; F152-L216 HydrophobicContact CE1-CG 3.84Å; F152-L216 HydrophobicContact CE2-CG 4.1Å; F152-L216 HydrophobicContact CG-CD1 4.3Å; F152-L216 HydrophobicContact CZ-CD1 4.16Å; F152-L216 HydrophobicContact CZ-CD2 3.97Å; F152-L216 HydrophobicContact CZ-CG 3.74Å
153	H	92.1	Very high	90.6	Very high	44 Å²	44	35.1 Å²	35.1	20%	0.204	18%	0.178	C	C	.	.			trans	-76.1	143.5	174.2	-164.1	-74.5	0	0	0	110.7	F62 V66 A155 D156	F62-H153 AromaticContact CD1-CE1 3.98Å; V66-H153 WeakPolarHBondContact CG2-NE2 3.34Å; H153-A155 WeakPolarHBondContact ND1-CB 3.3Å; H153-A155 PolarHBondContact ND1-N 2.9Å; H153-A155 PolarHBondContact O-N 3.3Å; H153-D156 WeakPolarHBondContact O-CB 3.17Å; H153-D156 PolarHBondContact O-N 2.43Å
154	Q	92	Very high	90.6	Very high	42 Å²	42	40 Å²	40	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-52.6	-30.8	-178.6	67.6	-179.4	11.4	0	0	111.5	F62 V142 D156 I157 L158	F62-Q154 HydrophobicContact CD1-CG 4.13Å; F62-Q154 HydrophobicContact CE1-CG 3.27Å; F62-Q154 HydrophobicContact CZ-CG 4.17Å; V142-Q154 HydrophobicContact CG1-CB 3.93Å; Q154-D156 PolarHBondContact O-N 2.65Å; Q154-I157 PolarHBondContact O-N 3.41Å; Q154-L158 WeakPolarHBondContact O-CG 3.29Å; Q154-L158 PolarHBondContact O-N 3.21Å
155	A	91.5	Very high	90.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-72.7	-24.6	-175.4	0	0	0	0	0	109.9	F62 V66 L70 R77 L78 H153 I157	F62-A155 HydrophobicContact CD1-CB 4.46Å; F62-A155 HydrophobicContact CE1-CB 4.03Å; F62-A155 HydrophobicContact CZ-CB 4.16Å; V66-A155 HydrophobicContact CG1-CB 4.25Å; L70-A155 HydrophobicContact CD2-CB 4.34Å; R77-A155 PolarHBondContact NH2-O 3.19Å; L78-A155 HydrophobicContact CD1-CB 4Å; L78-A155 HydrophobicContact CD2-CB 4.35Å; H153-A155 WeakPolarHBondContact ND1-CB 3.3Å; H153-A155 PolarHBondContact ND1-N 2.9Å; H153-A155 PolarHBondContact O-N 3.3Å; A155-I157 VanDerWaalsContact C-N 3.34Å
156	D	90.8	Very high	90.9	Very high	91 Å²	91	35.2 Å²	35.2	49%	0.487	18%	0.178	S	C	.	.	H	α-helix	trans	-82.4	-20	-177.2	-67.2	-26	0	0	0	110.9	H153 Q154	H153-D156 WeakPolarHBondContact O-CB 3.17Å; H153-D156 PolarHBondContact O-N 2.43Å; Q154-D156 PolarHBondContact O-N 2.65Å
157	I	92.1	Very high	90.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-106.7	-24.2	-171	-60.4	168.9	0	0	0	109	V139 V146 F152 Q154 A155 H159 Q160 L165	V139-I157 HydrophobicContact CB-CG2 4.3Å; V139-I157 HydrophobicContact CG1-CG2 4.21Å; V139-I157 HydrophobicContact CG2-CG2 3.79Å; V146-I157 HydrophobicContact CG2-CD1 4.13Å; F152-I157 HydrophobicContact CB-CD1 3.04Å; F152-I157 HydrophobicContact CB-CG1 3.65Å; F152-I157 HydrophobicContact CD2-CD1 4.35Å; F152-I157 HydrophobicContact CG-CD1 3.88Å; F152-I157 HydrophobicContact CG-CG1 4.27Å; Q154-I157 PolarHBondContact O-N 3.41Å; A155-I157 VanDerWaalsContact C-N 3.34Å; I157-H159 PolarHBondContact O-N 3.21Å; I157-Q160 WeakPolarHBondContact O-CB 3.38Å; I157-Q160 PolarHBondContact O-N 3.21Å; I157-L165 HydrophobicContact CB-CD1 4.43Å; I157-L165 HydrophobicContact CD1-CD1 4.26Å; I157-L165 HydrophobicContact CG1-CD1 4.07Å; I157-L165 HydrophobicContact CG2-CD1 3.54Å
158	L	92.2	Very high	90.7	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.068	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	0	-175.4	-78.6	172.4	0	0	0	111.2	F62 L78 V139 V142 Q154 Q160	F62-L158 HydrophobicContact CZ-CD1 4.12Å; L78-L158 HydrophobicContact CD2-CB 4.03Å; L78-L158 HydrophobicContact CD2-CD1 3.89Å; V139-L158 HydrophobicContact CG1-CD2 4.42Å; V142-L158 HydrophobicContact CG1-CD2 4Å; V142-L158 HydrophobicContact CG1-CG 4.22Å; Q154-L158 WeakPolarHBondContact O-CG 3.29Å; Q154-L158 PolarHBondContact O-N 3.21Å; L158-Q160 PolarHBondContact O-N 3.32Å; L158-Q160 VanDerWaalsContact O-N 3.12Å
159	H	89.6	Confident	90.6	Very high	20 Å²	20	35 Å²	35	9%	0.093	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn		0	20.4	0	-78.4	82.1	0	0	0	111.1	R77 S81 R84 E138 V139 I157	R77-H159 HydrophobicContact CG-CB 3.81Å; S81-H159 WeakPolarHBondContact CA-CE1 3.44Å; S81-H159 WeakPolarHBondContact CA-ND1 3.22Å; S81-H159 WeakPolarHBondContact CA-NE2 3.48Å; S81-H159 WeakPolarHBondContact CB-CE1 2.96Å; S81-H159 WeakPolarHBondContact CB-ND1 3.21Å; S81-H159 PolarHBondContact OG-CE1 3.43Å; S81-H159 PolarHBondContact OG-ND1 2.88Å; R84-H159 WeakPolarHBondContact CD-NE2 3.31Å; E138-H159 WeakPolarHBondContact OE1-CA 2.53Å; E138-H159 WeakPolarHBondContact OE1-CB 3.16Å; E138-H159 IonicContact OE1-CD2 3.54Å; E138-H159 PolarHBondContact OE1-CD2 2.88Å; E138-H159 IonicContact OE1-CG 3.88Å; V139-H159 VanDerWaalsContact O-CA 3.3Å; V139-H159 WeakPolarHBondContact O-CA 3.47Å; V139-H159 PolarHBondContact O-N 3.29Å; I157-H159 PolarHBondContact O-N 3.21Å
160	Q	91.7	Very high	90.7	Very high	65 Å²	65	34.1 Å²	34.1	30%	0.304	18%	0.18	S	C	.	.	S	Bend	trans	-105.7	159.4	170.2	-64.5	-85	22.9	0	0	109.6	V139 I157 L158 V162	V139-Q160 WeakPolarHBondContact CG2-O 2.93Å; V139-Q160 PolarHBondContact N-O 3.41Å; I157-Q160 WeakPolarHBondContact O-CB 3.38Å; I157-Q160 PolarHBondContact O-N 3.21Å; L158-Q160 PolarHBondContact O-N 3.32Å; L158-Q160 VanDerWaalsContact O-N 3.12Å; Q160-V162 PolarHBondContact O-N 3.15Å
161	S	93.3	Very high	90.7	Very high	41 Å²	41	38.2 Å²	38.2	29%	0.287	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-72.7	130.3	179.3	174.6	0	0	0	0	110.7	G137 L163 E164	G137-S161 CarbonylContact O-C 3.39Å; G137-S161 WeakPolarHBondContact O-CA 2.93Å; S161-L163 PolarHBondContact O-N 3.27Å; S161-L163 WeakPolarHBondContact OG-CB 3.28Å; S161-L163 PolarHBondContact OG-N 3.26Å; S161-E164 PolarHBondContact O-N 3.33Å
162	V	93.7	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-68.1	-22.5	-179.1	66.8	0	0	0	0	110	F131 M133 G137 V139 Q160 E164 L165 I166 F174 F213	F131-V162 HydrophobicContact CE1-CG2 3.88Å; F131-V162 HydrophobicContact CZ-CB 4.5Å; F131-V162 HydrophobicContact CZ-CG2 3.8Å; M133-V162 HydrophobicContact CE-CG2 4.25Å; M133-V162 HydrophobicContact SD-CG1 4.25Å; G137-V162 WeakPolarHBondContact O-CB 3.39Å; G137-V162 WeakPolarHBondContact O-CG1 3.47Å; G137-V162 PolarHBondContact O-N 2.87Å; V139-V162 HydrophobicContact CG2-CB 4.14Å; Q160-V162 PolarHBondContact O-N 3.15Å; V162-E164 PolarHBondContact O-N 3.17Å; V162-L165 WeakPolarHBondContact O-CA 2.8Å; V162-L165 WeakPolarHBondContact O-CB 2.63Å; V162-L165 PolarHBondContact O-N 3.26Å; V162-I166 HydrophobicContact CG1-CD1 4.19Å; V162-I166 HydrophobicContact CG2-CD1 3.95Å; V162-I166 HydrophobicContact CG2-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.04Å; V162-F174 HydrophobicContact CG1-CD1 4.33Å; V162-F174 HydrophobicContact CG1-CE1 3.34Å; V162-F174 HydrophobicContact CG1-CZ 3.76Å; V162-F174 HydrophobicContact CG2-CZ 4.25Å; V162-F213 HydrophobicContact CG2-CE1 3.73Å; V162-F213 HydrophobicContact CG2-CZ 3.85Å
163	L	92.5	Very high	90.3	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-63.3	0	-174.9	-66.3	174.5	0	0	0	111	S161 L165 I166 R171 F174 R175	S161-L163 PolarHBondContact O-N 3.27Å; S161-L163 WeakPolarHBondContact OG-CB 3.28Å; S161-L163 PolarHBondContact OG-N 3.26Å; L163-L165 PolarHBondContact O-N 3.21Å; L163-I166 PolarHBondContact O-N 3.03Å; L163-R171 HydrophobicContact CD2-CB 4.28Å; L163-R171 HydrophobicContact CD2-CG 4.33Å; L163-R171 PolarHBondContact O-NE 3.44Å; L163-R171 PolarHBondContact O-NH2 3.27Å; L163-F174 HydrophobicContact CD2-CD1 4.02Å; L163-R175 VanDerWaalsContact CD1-NE 3.33Å; L163-R175 HydrophobicContact CD2-CG 4.24Å
164	E	91.1	Very high	90.2	Very high	115 Å²	115	41.9 Å²	41.9	54%	0.537	21%	0.208	S	C	.	.	G	3₁₀ helix		0	-20.1	0	-69.3	-179.7	-176.7	0	0	110.8	S161 V162	S161-E164 PolarHBondContact O-N 3.33Å; V162-E164 PolarHBondContact O-N 3.17Å
165	L	92.3	Very high	90.1	Very high	18 Å²	18	45 Å²	45	9%	0.094	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9	-178	-63.4	176.8	0	0	0	110.7	F152 I157 V162 L163 F213 R214	F152-L165 HydrophobicContact CD2-CD2 4.41Å; F152-L165 HydrophobicContact CE1-CD2 4.11Å; F152-L165 HydrophobicContact CE2-CD2 4.01Å; F152-L165 HydrophobicContact CZ-CD2 3.84Å; I157-L165 HydrophobicContact CB-CD1 4.43Å; I157-L165 HydrophobicContact CD1-CD1 4.26Å; I157-L165 HydrophobicContact CG1-CD1 4.07Å; I157-L165 HydrophobicContact CG2-CD1 3.54Å; V162-L165 WeakPolarHBondContact O-CA 2.8Å; V162-L165 WeakPolarHBondContact O-CB 2.63Å; V162-L165 PolarHBondContact O-N 3.26Å; L163-L165 PolarHBondContact O-N 3.21Å; L165-F213 HydrophobicContact CB-CD1 4.07Å; L165-F213 HydrophobicContact CB-CE1 4.38Å; L165-F213 CarbonylContact O-C 3.36Å; L165-F213 WeakPolarHBondContact O-CA 3.05Å; L165-R214 WeakPolarHBondContact O-CB 3.34Å; L165-R214 PolarHBondContact O-N 3.23Å
166	I	92.5	Very high	89.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-98.9	144.3	-175.9	-67.8	176.9	0	0	0	109.2	V162 L163 S168 D170 R171 F174 V211 R212 F213	V162-I166 HydrophobicContact CG1-CD1 4.19Å; V162-I166 HydrophobicContact CG2-CD1 3.95Å; V162-I166 HydrophobicContact CG2-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 3.04Å; L163-I166 PolarHBondContact O-N 3.03Å; I166-S168 PolarHBondContact O-N 2.91Å; I166-D170 HydrophobicContact CG2-CB 3.72Å; I166-R171 HydrophobicContact CB-CG 4.48Å; I166-R171 HydrophobicContact CG2-CG 4.23Å; I166-R171 PolarHBondContact O-NE 2.96Å; I166-F174 HydrophobicContact CD1-CB 4.06Å; I166-F174 HydrophobicContact CD1-CD1 3.4Å; I166-F174 VanDerWaalsContact CD1-CD1 3.4Å; I166-F174 HydrophobicContact CD1-CD2 3.39Å; I166-F174 HydrophobicContact CD1-CE1 3.53Å; I166-F174 HydrophobicContact CD1-CE2 3.53Å; I166-F174 HydrophobicContact CD1-CG 3.33Å; I166-F174 HydrophobicContact CD1-CZ 3.59Å; I166-V211 HydrophobicContact CB-CG2 4.45Å; I166-V211 HydrophobicContact CD1-CG2 4.2Å; I166-V211 HydrophobicContact CG1-CG2 4.15Å; I166-V211 HydrophobicContact CG2-CG2 3.53Å; I166-R212 WeakPolarHBondContact CA-O 3.14Å; I166-F213 HydrophobicContact CD1-CZ 4.36Å; I166-F213 HydrophobicContact CG1-CE1 4.34Å; I166-F213 HydrophobicContact CG1-CE2 4.15Å; I166-F213 HydrophobicContact CG1-CZ 4.04Å
167	H	88	Confident	89.7	Confident	35 Å²	35	46 Å²	46	16%	0.162	22%	0.215	C	C	.	.			trans	-60.9	136.2	177.5	-167.2	-80.3	0	0	0	110.9	E169 D170 R171 R212 F223	H167-E169 IonicContact CE1-OE2 3.49Å; H167-E169 WeakPolarHBondContact ND1-CB 2.59Å; H167-E169 PolarHBondContact ND1-N 2.54Å; H167-E169 VanDerWaalsContact ND1-N 3.11Å; H167-E169 PolarHBondContact O-N 3.47Å; H167-D170 PolarHBondContact O-N 3.08Å; H167-R171 WeakPolarHBondContact O-CG 3.44Å; H167-R171 PolarHBondContact O-N 3.47Å; H167-R212 HydrophobicContact CB-CB 3.92Å; H167-R212 PolarHBondContact N-O 1.65Å; H167-R212 PolarHBondContact ND1-NH2 3.22Å; H167-F223 HydrophobicContact CB-CD1 4Å; H167-F223 HydrophobicContact CB-CE1 3.88Å; H167-F223 HydrophobicContact CB-CZ 4.42Å; H167-F223 AromaticContact CD2-CD2 3.83Å; H167-F223 AromaticContact CD2-CE2 3.65Å; H167-F223 AromaticContact CD2-CZ 3.75Å
168	S	88.8	Confident	89.5	Confident	60 Å²	60	46 Å²	46	42%	0.42	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-52.4	-27.8	-173.6	55	0	0	0	0	111.3	I166 D170 R171	I166-S168 PolarHBondContact O-N 2.91Å; S168-D170 PolarHBondContact O-N 3.48Å; S168-R171 PolarHBondContact O-N 3.45Å
169	E	83.8	Confident	89.3	Confident	102 Å²	102	47.6 Å²	47.6	48%	0.477	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-79.6	-19.8	-175.8	-71	-179.6	-180	0	0	110.5	H167 R212	H167-E169 IonicContact CE1-OE2 3.49Å; H167-E169 WeakPolarHBondContact ND1-CB 2.59Å; H167-E169 PolarHBondContact ND1-N 2.54Å; H167-E169 VanDerWaalsContact ND1-N 3.11Å; H167-E169 PolarHBondContact O-N 3.47Å; E169-R212 IonicContact OE2-CZ 3.46Å; E169-R212 IonicContact OE2-NH1 3.27Å; E169-R212 IonicContact OE2-NH2 3.79Å; E169-R212 PolarHBondContact OE2-NH2 2.89Å; E169-R212 VanDerWaalsContact OE2-NH2 3.08Å
170	D	87	Confident	88.9	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-100.2	1.9	-176.5	-69.2	-16.8	0	0	0	110.8	I166 H167 S168 E172 E173 F174 V211 R212 P423	I166-D170 HydrophobicContact CG2-CB 3.72Å; H167-D170 PolarHBondContact O-N 3.08Å; S168-D170 PolarHBondContact O-N 3.48Å; D170-E172 PolarHBondContact O-N 3.46Å; D170-E173 PolarHBondContact O-N 3.48Å; D170-F174 WeakPolarHBondContact O-CB 3.44Å; D170-F174 PolarHBondContact O-N 2.82Å; D170-V211 HydrophobicContact CB-CG2 3.89Å; D170-R212 IonicContact OD1-CZ 3.9Å; D170-R212 IonicContact OD1-NE 3.08Å; D170-R212 IonicContact OD1-NH2 3.96Å; D170-R212 PolarHBondContact OD1-NH2 3.19Å; D170-R212 WeakPolarHBondContact OD2-CB 3.42Å; D170-R212 WeakPolarHBondContact OD2-CG 3.23Å; D170-R212 IonicContact OD2-CZ 3.91Å; D170-R212 PolarHBondContact OD2-N 2.43Å; D170-R212 VanDerWaalsContact OD2-N 3.12Å; D170-R212 IonicContact OD2-NE 3.91Å; D170-R212 PolarHBondContact OD2-NE 2.95Å; D170-R212 IonicContact OD2-NH2 3.68Å; D170-P423 HydrophobicContact CB-CB 4.45Å; D170-P423 WeakPolarHBondContact OD1-CB 3.48Å
171	R	90.7	Very high	88.4	Confident	88 Å²	88	48.6 Å²	48.6	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-72.2	-40.3	-168.9	-73.1	-174.1	-178.5	175	-0.5	110	L163 I166 H167 S168 E173 F174 R175	L163-R171 HydrophobicContact CD2-CB 4.28Å; L163-R171 HydrophobicContact CD2-CG 4.33Å; L163-R171 PolarHBondContact O-NE 3.44Å; L163-R171 PolarHBondContact O-NH2 3.27Å; I166-R171 HydrophobicContact CB-CG 4.48Å; I166-R171 HydrophobicContact CG2-CG 4.23Å; I166-R171 PolarHBondContact O-NE 2.96Å; H167-R171 WeakPolarHBondContact O-CG 3.44Å; H167-R171 PolarHBondContact O-N 3.47Å; S168-R171 PolarHBondContact O-N 3.45Å; R171-E173 VanDerWaalsContact C-N 3.32Å; R171-F174 WeakPolarHBondContact O-CB 3.37Å; R171-F174 PolarHBondContact O-N 3.07Å; R171-R175 WeakPolarHBondContact O-CG 3.48Å; R171-R175 PolarHBondContact O-N 2.9Å
172	E	87.8	Confident	87.5	Confident	123 Å²	123	49 Å²	49	58%	0.575	23%	0.23	S	C	*	.	H	α-helix	trans	-68.3	-41.2	-177.6	-173.9	58.4	-153.2	0	0	110.8	D170 F174 R175 R176	D170-E172 PolarHBondContact O-N 3.46Å; E172-F174 PolarHBondContact O-N 2.65Å; E172-R175 PolarHBondContact O-N 3.38Å; E172-R176 WeakPolarHBondContact O-CG 3.35Å; E172-R176 PolarHBondContact O-N 3.03Å
173	E	82.6	Confident	86.3	Confident	32 Å²	32	53.2 Å²	53.2	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-39.1	178	-179	60.4	-156.5	0	0	111.4	D170 R171 R175 R176 Q177	D170-E173 PolarHBondContact O-N 3.48Å; R171-E173 VanDerWaalsContact C-N 3.32Å; E173-R175 PolarHBondContact O-N 2.9Å; E173-R176 WeakPolarHBondContact O-CB 2.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 IonicContact OE1-CZ 2.84Å; E173-R176 IonicContact OE1-NH1 2.01Å; E173-R176 IonicContact OE1-NH2 3.13Å; E173-R176 PolarHBondContact OE1-NH2 3.16Å; E173-R176 VanDerWaalsContact OE1-NH2 3.09Å; E173-R176 IonicContact OE2-CZ 3.27Å; E173-R176 IonicContact OE2-NE 3.73Å; E173-R176 PolarHBondContact OE2-NE 2.96Å; E173-R176 IonicContact OE2-NH1 2.28Å; E173-R176 PolarHBondContact OE2-NH1 2.86Å; E173-R176 CovalentContact OE2-NH2 1.09Å; E173-R176 IonicContact OE2-NH2 3.88Å; E173-R176 PolarHBondContact OE2-NH2 3.03Å; E173-Q177 WeakPolarHBondContact O-CG 3.14Å; E173-Q177 PolarHBondContact O-N 3.11Å; E173-Q177 PolarHBondContact OE1-NE2 3.47Å
174	F	90.6	Very high	85.5	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-41.4	177	-177.2	-98.7	0	0	0	111.2	M133 V162 L163 I166 D170 R171 E172 R176 Q177 L178 F209 V211 L228	M133-F174 HydrophobicContact CE-CE2 4.44Å; M133-F174 HydrophobicContact CE-CZ 3.75Å; M133-F174 HydrophobicContact SD-CE1 3.89Å; M133-F174 HydrophobicContact SD-CE2 4.32Å; M133-F174 HydrophobicContact SD-CZ 3.27Å; M133-F174 WeakPolarHBondContact SD-CZ 3.44Å; V162-F174 HydrophobicContact CG1-CD1 4.33Å; V162-F174 HydrophobicContact CG1-CE1 3.34Å; V162-F174 HydrophobicContact CG1-CZ 3.76Å; V162-F174 HydrophobicContact CG2-CZ 4.25Å; L163-F174 HydrophobicContact CD2-CD1 4.02Å; I166-F174 HydrophobicContact CD1-CB 4.06Å; I166-F174 HydrophobicContact CD1-CD1 3.4Å; I166-F174 VanDerWaalsContact CD1-CD1 3.4Å; I166-F174 HydrophobicContact CD1-CD2 3.39Å; I166-F174 HydrophobicContact CD1-CE1 3.53Å; I166-F174 HydrophobicContact CD1-CE2 3.53Å; I166-F174 HydrophobicContact CD1-CG 3.33Å; I166-F174 HydrophobicContact CD1-CZ 3.59Å; D170-F174 WeakPolarHBondContact O-CB 3.44Å; D170-F174 PolarHBondContact O-N 2.82Å; R171-F174 WeakPolarHBondContact O-CB 3.37Å; R171-F174 PolarHBondContact O-N 3.07Å; E172-F174 PolarHBondContact O-N 2.65Å; F174-R176 PolarHBondContact O-N 2.96Å; F174-Q177 WeakPolarHBondContact O-CB 3.35Å; F174-Q177 PolarHBondContact O-N 3.13Å; F174-Q177 VanDerWaalsContact O-N 3.15Å; F174-L178 HydrophobicContact CD1-CD1 3.87Å; F174-L178 HydrophobicContact CD1-CG 4.45Å; F174-L178 HydrophobicContact CE1-CD1 3.38Å; F174-L178 HydrophobicContact CE1-CG 4.14Å; F174-L178 HydrophobicContact CZ-CD1 4.06Å; F174-L178 HydrophobicContact CZ-CG 4.5Å; F174-L178 WeakPolarHBondContact O-CG 3.3Å; F174-L178 PolarHBondContact O-N 3.13Å; F174-F209 AromaticContact CD2-CE2 3.51Å; F174-F209 HydrophobicContact CD2-CE2 3.51Å; F174-F209 AromaticContact CD2-CZ 3.89Å; F174-F209 HydrophobicContact CD2-CZ 3.89Å; F174-F209 AromaticContact CE2-CE2 3.84Å; F174-F209 HydrophobicContact CE2-CE2 3.84Å; F174-F209 AromaticContact CE2-CZ 3.84Å; F174-F209 HydrophobicContact CE2-CZ 3.84Å; F174-V211 HydrophobicContact CD2-CG2 4.23Å; F174-L228 HydrophobicContact CE2-CD2 4.07Å
175	R	90.5	Very high	84.7	Confident	107 Å²	107	49 Å²	49	40%	0.404	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-37.8	179.2	-76.2	-172.8	-177.6	97.3	0.2	110.3	L163 R171 E172 E173 Q177 L178 S179	L163-R175 VanDerWaalsContact CD1-NE 3.33Å; L163-R175 HydrophobicContact CD2-CG 4.24Å; R171-R175 WeakPolarHBondContact O-CG 3.48Å; R171-R175 PolarHBondContact O-N 2.9Å; E172-R175 PolarHBondContact O-N 3.38Å; E173-R175 PolarHBondContact O-N 2.9Å; R175-Q177 PolarHBondContact O-N 3.11Å; R175-L178 PolarHBondContact O-N 2.24Å; R175-S179 PolarHBondContact O-N 3.13Å; R175-S179 VanDerWaalsContact O-N 3.15Å
176	R	87.4	Confident	83.9	Confident	91 Å²	91	53.3 Å²	53.3	34%	0.343	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-36.6	-179.6	-80.5	-168.4	-66.7	125.5	0.7	110.7	E172 E173 F174 L178 S179 S182	E172-R176 WeakPolarHBondContact O-CG 3.35Å; E172-R176 PolarHBondContact O-N 3.03Å; E173-R176 WeakPolarHBondContact O-CB 2.43Å; E173-R176 PolarHBondContact O-N 3.38Å; E173-R176 IonicContact OE1-CZ 2.84Å; E173-R176 IonicContact OE1-NH1 2.01Å; E173-R176 IonicContact OE1-NH2 3.13Å; E173-R176 PolarHBondContact OE1-NH2 3.16Å; E173-R176 VanDerWaalsContact OE1-NH2 3.09Å; E173-R176 IonicContact OE2-CZ 3.27Å; E173-R176 IonicContact OE2-NE 3.73Å; E173-R176 PolarHBondContact OE2-NE 2.96Å; E173-R176 IonicContact OE2-NH1 2.28Å; E173-R176 PolarHBondContact OE2-NH1 2.86Å; E173-R176 CovalentContact OE2-NH2 1.09Å; E173-R176 IonicContact OE2-NH2 3.88Å; E173-R176 PolarHBondContact OE2-NH2 3.03Å; F174-R176 PolarHBondContact O-N 2.96Å; R176-L178 PolarHBondContact O-N 3.4Å; R176-S179 WeakPolarHBondContact O-CB 3.35Å; R176-S179 PolarHBondContact O-N 2.94Å; R176-S179 VanDerWaalsContact O-N 3.13Å; R176-S182 WeakPolarHBondContact O-CB 2.63Å; R176-S182 PolarHBondContact O-OG 3.48Å
177	Q	85.9	Confident	83.1	Confident	21 Å²	21	60.8 Å²	60.8	10%	0.098	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-21.8	179.8	-65.4	-72.7	-13.4	0	0	111.3	E173 F174 R175 S179 R207 F209	E173-Q177 WeakPolarHBondContact O-CG 3.14Å; E173-Q177 PolarHBondContact O-N 3.11Å; E173-Q177 PolarHBondContact OE1-NE2 3.47Å; F174-Q177 WeakPolarHBondContact O-CB 3.35Å; F174-Q177 PolarHBondContact O-N 3.13Å; F174-Q177 VanDerWaalsContact O-N 3.15Å; R175-Q177 PolarHBondContact O-N 3.11Å; Q177-S179 VanDerWaalsContact C-N 3.27Å; Q177-R207 WeakPolarHBondContact O-CD 3.42Å; Q177-R207 PolarHBondContact O-NE 3.37Å; Q177-F209 HydrophobicContact CB-CD1 3.93Å; Q177-F209 HydrophobicContact CB-CE1 3.73Å; Q177-F209 HydrophobicContact CB-CE2 4.41Å; Q177-F209 HydrophobicContact CB-CG 4.35Å; Q177-F209 HydrophobicContact CB-CZ 3.99Å; Q177-F209 HydrophobicContact CG-CB 4.31Å; Q177-F209 HydrophobicContact CG-CD1 3.87Å; Q177-F209 HydrophobicContact CG-CD2 4.1Å; Q177-F209 HydrophobicContact CG-CE1 4.17Å; Q177-F209 HydrophobicContact CG-CE2 4.39Å; Q177-F209 HydrophobicContact CG-CG 3.84Å; Q177-F209 HydrophobicContact CG-CZ 4.41Å
178	L	88.4	Confident	82.4	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-88.6	-13.9	-178.4	-69	178.5	0	0	0	110.6	M133 F174 R175 R176 W180 F284	M133-L178 HydrophobicContact CG-CD2 4.4Å; M133-L178 HydrophobicContact SD-CD1 4.2Å; M133-L178 HydrophobicContact SD-CD2 4.02Å; F174-L178 HydrophobicContact CD1-CD1 3.87Å; F174-L178 HydrophobicContact CD1-CG 4.45Å; F174-L178 HydrophobicContact CE1-CD1 3.38Å; F174-L178 HydrophobicContact CE1-CG 4.14Å; F174-L178 HydrophobicContact CZ-CD1 4.06Å; F174-L178 HydrophobicContact CZ-CG 4.5Å; F174-L178 WeakPolarHBondContact O-CG 3.3Å; F174-L178 PolarHBondContact O-N 3.13Å; R175-L178 PolarHBondContact O-N 2.24Å; R176-L178 PolarHBondContact O-N 3.4Å; L178-W180 PolarHBondContact O-N 2.7Å; L178-F284 HydrophobicContact CD2-CB 3.68Å; L178-F284 HydrophobicContact CD2-CD1 4.12Å; L178-F284 HydrophobicContact CD2-CG 3.97Å
179	S	86.4	Confident	81.6	Confident	47 Å²	47	63.5 Å²	63.5	33%	0.329	30%	0.304	S	S	.	.	S	Bend	trans	-78.2	125.4	177.8	175	0	0	0	0	109.8	R175 R176 Q177 R181 S182 R207	R175-S179 PolarHBondContact O-N 3.13Å; R175-S179 VanDerWaalsContact O-N 3.15Å; R176-S179 WeakPolarHBondContact O-CB 3.35Å; R176-S179 PolarHBondContact O-N 2.94Å; R176-S179 VanDerWaalsContact O-N 3.13Å; Q177-S179 VanDerWaalsContact C-N 3.27Å; S179-R181 PolarHBondContact O-N 2.6Å; S179-S182 PolarHBondContact O-N 2.76Å; S179-R207 PolarHBondContact O-NH2 3.21Å
180	W	82.1	Confident	81	Confident	22 Å²	22	64 Å²	64	8%	0.083	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.1	-173.1	62.7	-88	0	0	0	110.7	L178 L184 L193 L196 L205 R207 L232 Y269 L282	L178-W180 PolarHBondContact O-N 2.7Å; W180-L184 HydrophobicContact CE3-CD1 3.68Å; W180-L184 HydrophobicContact CZ3-CD1 3.61Å; W180-L193 HydrophobicContact CD2-CD1 4.31Å; W180-L193 HydrophobicContact CG-CD1 4.21Å; W180-L196 HydrophobicContact CE3-CD1 3.84Å; W180-L196 HydrophobicContact CZ3-CD1 3.71Å; W180-L205 HydrophobicContact CB-CD2 4.22Å; W180-R207 PolarHBondContact O-NH2 3.2Å; W180-L232 HydrophobicContact CB-CD1 4.17Å; W180-Y269 PolarHBondContact NE1-OH 2.76Å; W180-L282 HydrophobicContact CB-CD2 3.96Å
181	R	81.3	Confident	80.4	Confident	84 Å²	84	65.1 Å²	65.1	32%	0.317	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.7	-175.5	-72.8	-175.5	164.2	99.2	-0.4	110.8	S179 M183 L184 Y269	S179-R181 PolarHBondContact O-N 2.6Å; R181-M183 PolarHBondContact O-N 3.1Å; R181-M183 VanDerWaalsContact O-N 3.15Å; R181-L184 HydrophobicContact CG-CD1 4.45Å; R181-L184 PolarHBondContact O-N 2.74Å; R181-Y269 VanDerWaalsContact NH1-CZ 3.33Å; R181-Y269 PolarHBondContact NH1-OH 3.45Å; R181-Y269 VanDerWaalsContact NH1-OH 3.14Å
182	S	74.2	Confident	79.8	Confident	48 Å²	48	63.8 Å²	63.8	34%	0.336	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	0	-164.1	-179.3	0	0	0	0	110.2	R176 S179	R176-S182 WeakPolarHBondContact O-CB 2.63Å; R176-S182 PolarHBondContact O-OG 3.48Å; S179-S182 PolarHBondContact O-N 2.76Å
183	M	68.7	Low	79.4	Confident	90 Å²	90	59.2 Å²	59.2	44%	0.443	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn		0	21.8	0	-65.3	-73.2	138.2	0	0	109.4	R181	R181-M183 PolarHBondContact O-N 3.1Å; R181-M183 VanDerWaalsContact O-N 3.15Å
184	L	76	Confident	79.1	Confident	10 Å²	10	63.7 Å²	63.7	5%	0.052	33%	0.328	C	S	.	.			trans	-88.5	135.9	-178.2	-71.8	169.4	0	0	0	109.5	W180 R181 F188 L196 Y204	W180-L184 HydrophobicContact CE3-CD1 3.68Å; W180-L184 HydrophobicContact CZ3-CD1 3.61Å; R181-L184 HydrophobicContact CG-CD1 4.45Å; R181-L184 PolarHBondContact O-N 2.74Å; L184-F188 HydrophobicContact CB-CB 4.45Å; L184-F188 HydrophobicContact CD2-CB 4.48Å; L184-L196 HydrophobicContact CD1-CD1 3.68Å; L184-L196 HydrophobicContact CD2-CD1 3.85Å; L184-L196 HydrophobicContact CD2-CD2 3.93Å; L184-L196 HydrophobicContact CG-CD1 4.42Å; L184-Y204 HydrophobicContact CD2-CG 4.3Å
185	P	74.2	Confident	78.4	Confident	38 Å²	38	67.6 Å²	67.6	25%	0.247	35%	0.349	C	S	.	.			trans	-57.1	145.2	172.7	-19.1	27.2	0	0	0	111.7	E187 F188 Y204	P185-E187 PolarHBondContact O-N 3.37Å; P185-F188 HydrophobicContact CB-CD2 4.19Å; P185-F188 HydrophobicContact CG-CD2 4.07Å; P185-F188 PolarHBondContact O-N 3.32Å; P185-Y204 HydrophobicContact CG-CD1 4.06Å; P185-Y204 HydrophobicContact CG-CE1 3.52Å
186	P	74.3	Confident	77.8	Confident	108 Å²	108	62.5 Å²	62.5	70%	0.701	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-49.5	-17.1	-176	-15.1	19.4	0	0	0	111.8	F188 H189	P186-F188 PolarHBondContact O-N 3.39Å; P186-H189 VanDerWaalsContact C-CD2 3.48Å; P186-H189 WeakPolarHBondContact CA-CD2 3.36Å; P186-H189 VanDerWaalsContact CA-NE2 3.29Å; P186-H189 WeakPolarHBondContact CA-NE2 3.38Å; P186-H189 PolarHBondContact O-CD2 2.77Å; P186-H189 VanDerWaalsContact O-CD2 3.27Å
187	E	75.8	Confident	77.2	Confident	159 Å²	159	61 Å²	61	74%	0.743	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-79.1	-13.4	-177.2	-60.5	168.1	-171.4	0	0	111.2	P185	P185-E187 PolarHBondContact O-N 3.37Å
188	F	73.7	Confident	76.6	Confident	50 Å²	50	62.4 Å²	62.4	22%	0.219	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-117.6	12.8	-173.6	-72.5	-75.7	0	0	0	109.9	L184 P185 P186 S190 S191 Y204	L184-F188 HydrophobicContact CB-CB 4.45Å; L184-F188 HydrophobicContact CD2-CB 4.48Å; P185-F188 HydrophobicContact CB-CD2 4.19Å; P185-F188 HydrophobicContact CG-CD2 4.07Å; P185-F188 PolarHBondContact O-N 3.32Å; P186-F188 PolarHBondContact O-N 3.39Å; F188-S190 PolarHBondContact O-N 3.36Å; F188-S190 VanDerWaalsContact O-N 3.13Å; F188-S191 WeakPolarHBondContact CD1-OG 3.27Å; F188-S191 WeakPolarHBondContact O-CB 3.42Å; F188-S191 PolarHBondContact O-N 3.02Å; F188-Y204 HydrophobicContact CE2-CE2 4.06Å; F188-Y204 AromaticContact CE2-CZ 3.89Å; F188-Y204 HydrophobicContact CZ-CE2 4.33Å
189	H	72.4	Confident	75.9	Confident	103 Å²	103	67 Å²	67	48%	0.477	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.3	-178.1	-79.5	-55.9	0	0	0	110.5	P186	P186-H189 VanDerWaalsContact C-CD2 3.48Å; P186-H189 WeakPolarHBondContact CA-CD2 3.36Å; P186-H189 VanDerWaalsContact CA-NE2 3.29Å; P186-H189 WeakPolarHBondContact CA-NE2 3.38Å; P186-H189 PolarHBondContact O-CD2 2.77Å; P186-H189 VanDerWaalsContact O-CD2 3.27Å
190	S	72	Confident	75.3	Confident	112 Å²	112	72.7 Å²	72.7	78%	0.783	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	0.3	179.5	53.3	0	0	0	0	110.6	F188	F188-S190 PolarHBondContact O-N 3.36Å; F188-S190 VanDerWaalsContact O-N 3.13Å
191	S	73.6	Confident	75.2	Confident	26 Å²	26	72.8 Å²	72.8	18%	0.182	39%	0.392	C	S	.	.			trans	-80.3	144.1	-177.2	-57	0	0	0	0	111.3	F188	F188-S191 WeakPolarHBondContact CD1-OG 3.27Å; F188-S191 WeakPolarHBondContact O-CB 3.42Å; F188-S191 PolarHBondContact O-N 3.02Å
192	T	78.9	Confident	75	Confident	60 Å²	60	69.9 Å²	69.9	37%	0.368	39%	0.386	S	S	.	.			trans	-79.6	148.5	178.3	58.7	0	0	0	0	110.1	H194 D195 L196	T192-H194 PolarHBondContact O-N 2.72Å; T192-D195 WeakPolarHBondContact O-CB 3.24Å; T192-D195 PolarHBondContact O-N 3.06Å; T192-D195 PolarHBondContact OG1-OD2 3.01Å; T192-L196 PolarHBondContact O-N 3.29Å
193	L	79	Confident	75.3	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-52.9	-32	179.9	-169.3	143.8	0	0	0	111	W180 D195 L196 M197 F234 L282	W180-L193 HydrophobicContact CD2-CD1 4.31Å; W180-L193 HydrophobicContact CG-CD1 4.21Å; L193-D195 PolarHBondContact O-N 3.41Å; L193-L196 PolarHBondContact O-N 2.77Å; L193-M197 HydrophobicContact CD2-CG 3.67Å; L193-M197 HydrophobicContact CD2-SD 4.26Å; L193-M197 WeakPolarHBondContact O-CG 3.42Å; L193-M197 PolarHBondContact O-N 3.41Å; L193-F234 HydrophobicContact CD1-CE1 4.44Å; L193-F234 HydrophobicContact CD2-CD1 4.3Å; L193-F234 HydrophobicContact CD2-CD2 4.48Å; L193-F234 HydrophobicContact CD2-CE1 3.09Å; L193-F234 HydrophobicContact CD2-CE2 3.33Å; L193-F234 HydrophobicContact CD2-CZ 2.42Å; L193-F234 HydrophobicContact CG-CE1 4.37Å; L193-F234 HydrophobicContact CG-CZ 3.94Å; L193-L282 HydrophobicContact CD1-CD2 4.27Å
194	H	75.4	Confident	75.9	Confident	126 Å²	126	71.1 Å²	71.1	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-63.9	-33.9	178.9	-170.7	-78.5	0	0	0	111	T192 L196 M197	T192-H194 PolarHBondContact O-N 2.72Å; H194-L196 PolarHBondContact O-N 2.94Å; H194-M197 PolarHBondContact O-N 2.98Å
195	D	76.6	Confident	76.3	Confident	84 Å²	84	70.9 Å²	70.9	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-74.1	-26.3	-178.8	-71.2	-18.5	0	0	0	111.1	T192 L193 M197 T198 T201	T192-D195 WeakPolarHBondContact O-CB 3.24Å; T192-D195 PolarHBondContact O-N 3.06Å; T192-D195 PolarHBondContact OG1-OD2 3.01Å; L193-D195 PolarHBondContact O-N 3.41Å; D195-M197 PolarHBondContact O-N 3.06Å; D195-T198 PolarHBondContact O-OG1 2.93Å; D195-T201 PolarHBondContact O-OG1 3.05Å
196	L	78.4	Confident	76.7	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-87.4	-8.2	-176	-74.6	168.3	0	0	0	110.6	W180 L184 T192 L193 H194 T198 T201 A202	W180-L196 HydrophobicContact CE3-CD1 3.84Å; W180-L196 HydrophobicContact CZ3-CD1 3.71Å; L184-L196 HydrophobicContact CD1-CD1 3.68Å; L184-L196 HydrophobicContact CD2-CD1 3.85Å; L184-L196 HydrophobicContact CD2-CD2 3.93Å; L184-L196 HydrophobicContact CG-CD1 4.42Å; T192-L196 PolarHBondContact O-N 3.29Å; L193-L196 PolarHBondContact O-N 2.77Å; H194-L196 PolarHBondContact O-N 2.94Å; L196-T198 PolarHBondContact O-N 3.02Å; L196-T201 WeakPolarHBondContact CA-OG1 3.04Å; L196-T201 CarbonylContact O-C 3.57Å; L196-T201 PolarHBondContact O-OG1 3.19Å; L196-A202 WeakPolarHBondContact O-CA 3.33Å
197	M	73.6	Confident	77	Confident	58 Å²	58	68.3 Å²	68.3	29%	0.286	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.8	-178.2	-67.6	-69.5	-68.6	0	0	109.8	L193 H194 D195 L205 F234	L193-M197 HydrophobicContact CD2-CG 3.67Å; L193-M197 HydrophobicContact CD2-SD 4.26Å; L193-M197 WeakPolarHBondContact O-CG 3.42Å; L193-M197 PolarHBondContact O-N 3.41Å; H194-M197 PolarHBondContact O-N 2.98Å; D195-M197 PolarHBondContact O-N 3.06Å; M197-L205 HydrophobicContact SD-CD1 3.44Å; M197-L205 WeakPolarHBondContact SD-CD1 3.37Å; M197-F234 HydrophobicContact CB-CE2 4.31Å; M197-F234 HydrophobicContact CE-CD2 3.15Å; M197-F234 HydrophobicContact CE-CE2 3.43Å; M197-F234 VanDerWaalsContact CE-CE2 3.43Å; M197-F234 HydrophobicContact CE-CG 4.05Å; M197-F234 HydrophobicContact CE-CZ 4.5Å; M197-F234 HydrophobicContact CG-CD2 4.16Å; M197-F234 HydrophobicContact CG-CE2 3.35Å; M197-F234 HydrophobicContact CG-CZ 3.98Å; M197-F234 HydrophobicContact SD-CD2 4.12Å; M197-F234 HydrophobicContact SD-CE2 3.82Å; M197-F234 HydrophobicContact SD-CZ 4.47Å
198	T	73.8	Confident	77.2	Confident	52 Å²	52	65 Å²	65	32%	0.319	34%	0.34	S	S	.	.	S	Bend	trans	-73.8	140.7	173.8	55.5	0	0	0	0	110.7	D195 L196 E200 T201 A202	D195-T198 PolarHBondContact O-OG1 2.93Å; L196-T198 PolarHBondContact O-N 3.02Å; T198-E200 PolarHBondContact O-N 3.25Å; T198-T201 PolarHBondContact O-N 2.76Å; T198-T201 PolarHBondContact O-OG1 2.9Å; T198-T201 PolarHBondContact OG1-OG1 3.36Å; T198-A202 WeakPolarHBondContact O-CB 3.35Å; T198-A202 PolarHBondContact O-N 3.35Å
199	P	72.7	Confident	77.5	Confident	101 Å²	101	63.2 Å²	63.2	66%	0.656	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	0	-176.5	-16.4	19.8	0	0	0	111.5
200	E	74.7	Confident	77.8	Confident	168 Å²	168	59 Å²	59	79%	0.785	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn		0	-26	0	-67.1	177.2	-178.6	0	0	111.3	T198 H203	T198-E200 PolarHBondContact O-N 3.25Å; E200-H203 PolarHBondContact O-CE1 3.15Å; E200-H203 PolarHBondContact O-ND1 3.24Å
201	T	79.4	Confident	78.4	Confident	23 Å²	23	53.8 Å²	53.8	14%	0.141	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	5.8	-175	52.3	0	0	0	0	109.8	D195 L196 T198 H203 Y204	D195-T201 PolarHBondContact O-OG1 3.05Å; L196-T201 WeakPolarHBondContact CA-OG1 3.04Å; L196-T201 CarbonylContact O-C 3.57Å; L196-T201 PolarHBondContact O-OG1 3.19Å; T198-T201 PolarHBondContact O-N 2.76Å; T198-T201 PolarHBondContact O-OG1 2.9Å; T198-T201 PolarHBondContact OG1-OG1 3.36Å; T201-H203 PolarHBondContact O-N 3.29Å; T201-H203 VanDerWaalsContact O-N 3.12Å; T201-Y204 VanDerWaalsContact O-CD2 3.27Å; T201-Y204 WeakPolarHBondContact O-CD2 3.44Å; T201-Y204 PolarHBondContact O-N 2.84Å; T201-Y204 VanDerWaalsContact O-N 3.12Å
202	A	77.2	Confident	78.9	Confident	23 Å²	23	54.4 Å²	54.4	19%	0.19	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.7	-19.1	-172.7	0	0	0	0	0	110	L196 T198 Y204 L205	L196-A202 WeakPolarHBondContact O-CA 3.33Å; T198-A202 WeakPolarHBondContact O-CB 3.35Å; T198-A202 PolarHBondContact O-N 3.35Å; A202-Y204 PolarHBondContact O-N 3.49Å; A202-Y204 VanDerWaalsContact O-N 3.16Å; A202-L205 WeakPolarHBondContact O-CB 3.39Å; A202-L205 PolarHBondContact O-N 3.23Å
203	H	80.9	Confident	79.5	Confident	99 Å²	99	51.5 Å²	51.5	46%	0.458	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.7	-177.9	60.3	-80.2	0	0	0	111.3	E200 T201 L205 K206	E200-H203 PolarHBondContact O-CE1 3.15Å; E200-H203 PolarHBondContact O-ND1 3.24Å; T201-H203 PolarHBondContact O-N 3.29Å; T201-H203 VanDerWaalsContact O-N 3.12Å; H203-L205 PolarHBondContact O-N 3.03Å; H203-K206 VanDerWaalsContact O-CB 3.32Å; H203-K206 WeakPolarHBondContact O-CB 3.45Å; H203-K206 PolarHBondContact O-N 3.28Å
204	Y	81.4	Confident	80	Confident	66 Å²	66	51.8 Å²	51.8	26%	0.259	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-77.1	-13.6	179	-72	-71.4	0	0	0	111	L184 P185 F188 T201 A202 R207	L184-Y204 HydrophobicContact CD2-CG 4.3Å; P185-Y204 HydrophobicContact CG-CD1 4.06Å; P185-Y204 HydrophobicContact CG-CE1 3.52Å; F188-Y204 HydrophobicContact CE2-CE2 4.06Å; F188-Y204 AromaticContact CE2-CZ 3.89Å; F188-Y204 HydrophobicContact CZ-CE2 4.33Å; T201-Y204 VanDerWaalsContact O-CD2 3.27Å; T201-Y204 WeakPolarHBondContact O-CD2 3.44Å; T201-Y204 PolarHBondContact O-N 2.84Å; T201-Y204 VanDerWaalsContact O-N 3.12Å; A202-Y204 PolarHBondContact O-N 3.49Å; A202-Y204 VanDerWaalsContact O-N 3.16Å; Y204-R207 PolarHBondContact O-NH1 3.42Å
205	L	84.6	Confident	80.6	Confident	4 Å²	4	46 Å²	46	2%	0.021	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.1	2.6	-179.6	-67.4	176.6	0	0	0	110.2	W180 M197 A202 H203 R207 L232	W180-L205 HydrophobicContact CB-CD2 4.22Å; M197-L205 HydrophobicContact SD-CD1 3.44Å; M197-L205 WeakPolarHBondContact SD-CD1 3.37Å; A202-L205 WeakPolarHBondContact O-CB 3.39Å; A202-L205 PolarHBondContact O-N 3.23Å; H203-L205 PolarHBondContact O-N 3.03Å; L205-R207 VanDerWaalsContact C-NH1 3.31Å; L205-L232 HydrophobicContact CB-CB 4.28Å; L205-L232 PolarHBondContact O-N 3.24Å
206	K	81.9	Confident	81.1	Confident	88 Å²	88	46.1 Å²	46.1	38%	0.383	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141.1	175.6	-171.4	175.3	179.1	179.3	0	110.7	H203 Y704	H203-K206 VanDerWaalsContact O-CB 3.32Å; H203-K206 WeakPolarHBondContact O-CB 3.45Å; H203-K206 PolarHBondContact O-N 3.28Å; K206-Y704 HydrophobicContact CB-CE1 4.41Å; K206-Y704 HydrophobicContact CB-CE2 4.49Å; K206-Y704 VanDerWaalsContact CB-OH 3.22Å; K206-Y704 WeakPolarHBondContact CB-OH 3.29Å; K206-Y704 HydrophobicContact CD-CD1 4.38Å; K206-Y704 HydrophobicContact CD-CD2 3.48Å; K206-Y704 VanDerWaalsContact CD-CD2 3.48Å; K206-Y704 HydrophobicContact CD-CE1 3.75Å; K206-Y704 HydrophobicContact CD-CE2 2.66Å; K206-Y704 HydrophobicContact CD-CG 4.26Å; K206-Y704 WeakPolarHBondContact CD-OH 3.23Å; K206-Y704 WeakPolarHBondContact CE-OH 3.49Å; K206-Y704 HydrophobicContact CG-CE1 4.22Å; K206-Y704 HydrophobicContact CG-CE2 3.49Å; K206-Y704 VanDerWaalsContact CG-CE2 3.49Å; K206-Y704 WeakPolarHBondContact CG-OH 3.17Å
207	R	80.9	Confident	81.2	Confident	5 Å²	5	49.7 Å²	49.7	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.6	-179.2	-60.6	-69.1	-172.6	-94.7	-0.2	109.6	Q177 S179 W180 Y204 L205 F209 G230 L232 F284	Q177-R207 WeakPolarHBondContact O-CD 3.42Å; Q177-R207 PolarHBondContact O-NE 3.37Å; S179-R207 PolarHBondContact O-NH2 3.21Å; W180-R207 PolarHBondContact O-NH2 3.2Å; Y204-R207 PolarHBondContact O-NH1 3.42Å; L205-R207 VanDerWaalsContact C-NH1 3.31Å; R207-F209 HydrophobicContact CB-CD1 4.19Å; R207-F209 HydrophobicContact CB-CE1 4.14Å; R207-G230 PolarHBondContact N-O 2.94Å; R207-G230 PolarHBondContact O-N 3.5Å; R207-L232 HydrophobicContact CG-CG 4.4Å; R207-F284 HydrophobicContact CB-CD2 4.46Å; R207-F284 HydrophobicContact CB-CE2 3.47Å; R207-F284 VanDerWaalsContact CB-CE2 3.47Å; R207-F284 HydrophobicContact CB-CZ 3.85Å; R207-F284 HydrophobicContact CG-CD2 4.49Å; R207-F284 HydrophobicContact CG-CE2 3.93Å
208	Q	79.9	Confident	80.6	Confident	90 Å²	90	48.7 Å²	48.7	42%	0.421	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	118.4	171.3	-176.7	170.6	8.1	0	0	109.4	E227 L228 Y420	Q208-E227 PolarHBondContact NE2-OE1 3.05Å; Q208-L228 CarbonylContact C-O 3.57Å; Q208-L228 WeakPolarHBondContact CA-O 3.39Å; Q208-Y420 VanDerWaalsContact CB-OH 3.28Å; Q208-Y420 WeakPolarHBondContact CB-OH 3.15Å; Q208-Y420 HydrophobicContact CG-CE1 4.48Å; Q208-Y420 WeakPolarHBondContact CG-OH 3.48Å; Q208-Y420 PolarHBondContact NE2-OH 3.44Å; Q208-Y420 PolarHBondContact OE1-OH 2.65Å
209	F	81.5	Confident	79.6	Confident	12 Å²	12	53.4 Å²	53.4	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.8	-178.4	58.4	-84.4	0	0	0	109	F174 Q177 R207 V211 L228 F284	F174-F209 AromaticContact CD2-CE2 3.51Å; F174-F209 HydrophobicContact CD2-CE2 3.51Å; F174-F209 AromaticContact CD2-CZ 3.89Å; F174-F209 HydrophobicContact CD2-CZ 3.89Å; F174-F209 AromaticContact CE2-CE2 3.84Å; F174-F209 HydrophobicContact CE2-CE2 3.84Å; F174-F209 AromaticContact CE2-CZ 3.84Å; F174-F209 HydrophobicContact CE2-CZ 3.84Å; Q177-F209 HydrophobicContact CB-CD1 3.93Å; Q177-F209 HydrophobicContact CB-CE1 3.73Å; Q177-F209 HydrophobicContact CB-CE2 4.41Å; Q177-F209 HydrophobicContact CB-CG 4.35Å; Q177-F209 HydrophobicContact CB-CZ 3.99Å; Q177-F209 HydrophobicContact CG-CB 4.31Å; Q177-F209 HydrophobicContact CG-CD1 3.87Å; Q177-F209 HydrophobicContact CG-CD2 4.1Å; Q177-F209 HydrophobicContact CG-CE1 4.17Å; Q177-F209 HydrophobicContact CG-CE2 4.39Å; Q177-F209 HydrophobicContact CG-CG 3.84Å; Q177-F209 HydrophobicContact CG-CZ 4.41Å; R207-F209 HydrophobicContact CB-CD1 4.19Å; R207-F209 HydrophobicContact CB-CE1 4.14Å; F209-V211 HydrophobicContact CD2-CB 4.47Å; F209-V211 HydrophobicContact CE2-CB 4.32Å; F209-V211 HydrophobicContact CE2-CG1 4.45Å; F209-L228 HydrophobicContact CE1-CB 4.25Å; F209-L228 HydrophobicContact CE2-CB 4.33Å; F209-L228 HydrophobicContact CE2-CD2 4.14Å; F209-L228 HydrophobicContact CZ-CB 4.11Å; F209-L228 HydrophobicContact CZ-CD2 3.87Å; F209-L228 PolarHBondContact N-O 3.49Å; F209-L228 PolarHBondContact O-N 3.12Å; F209-F284 HydrophobicContact CE1-CE1 4.01Å; F209-F284 AromaticContact CE1-CZ 3.87Å; F209-F284 HydrophobicContact CE1-CZ 3.87Å; F209-F284 HydrophobicContact CZ-CE1 4.18Å
210	T	78.5	Confident	78.6	Confident	14 Å²	14	52.7 Å²	52.7	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.2	-178.5	55	0	0	0	0	109.4	L226 E227 L291 L422 P423	T210-L226 CarbonylContact C-O 3.56Å; T210-L226 WeakPolarHBondContact CA-O 3.24Å; T210-E227 HydrophobicContact CG2-CB 4.46Å; T210-L291 HydrophobicContact CG2-CD1 3.51Å; T210-L422 HydrophobicContact CG2-CD2 4.46Å; T210-L422 WeakPolarHBondContact OG1-CD2 3.12Å; T210-P423 WeakPolarHBondContact O-CG 3.44Å
211	V	83.8	Confident	78	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.9	-179.6	62.8	0	0	0	0	108.3	I166 D170 F174 F209 F213 L226 L228	I166-V211 HydrophobicContact CB-CG2 4.45Å; I166-V211 HydrophobicContact CD1-CG2 4.2Å; I166-V211 HydrophobicContact CG1-CG2 4.15Å; I166-V211 HydrophobicContact CG2-CG2 3.53Å; D170-V211 HydrophobicContact CB-CG2 3.89Å; F174-V211 HydrophobicContact CD2-CG2 4.23Å; F209-V211 HydrophobicContact CD2-CB 4.47Å; F209-V211 HydrophobicContact CE2-CB 4.32Å; F209-V211 HydrophobicContact CE2-CG1 4.45Å; V211-F213 HydrophobicContact CB-CD2 4.38Å; V211-F213 HydrophobicContact CB-CE2 4.1Å; V211-F213 HydrophobicContact CG1-CD2 3.31Å; V211-F213 HydrophobicContact CG1-CE2 2.87Å; V211-F213 HydrophobicContact CG1-CZ 4.09Å; V211-F213 HydrophobicContact CG2-CD2 4.32Å; V211-F213 HydrophobicContact CG2-CE2 4.11Å; V211-L226 PolarHBondContact N-O 3.39Å; V211-L226 PolarHBondContact O-N 3.18Å; V211-L228 HydrophobicContact CB-CD1 4.33Å; V211-L228 HydrophobicContact CG1-CD1 3.01Å; V211-L228 HydrophobicContact CG1-CD2 4.27Å; V211-L228 HydrophobicContact CG1-CG 4.24Å
212	R	84.7	Confident	78	Confident	39 Å²	39	47.4 Å²	47.4	15%	0.147	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.4	178.7	-66.4	174.9	-67.3	178.1	3	110.5	I166 H167 E169 D170 F223 I224	I166-R212 WeakPolarHBondContact CA-O 3.14Å; H167-R212 HydrophobicContact CB-CB 3.92Å; H167-R212 PolarHBondContact N-O 1.65Å; H167-R212 PolarHBondContact ND1-NH2 3.22Å; E169-R212 IonicContact OE2-CZ 3.46Å; E169-R212 IonicContact OE2-NH1 3.27Å; E169-R212 IonicContact OE2-NH2 3.79Å; E169-R212 PolarHBondContact OE2-NH2 2.89Å; E169-R212 VanDerWaalsContact OE2-NH2 3.08Å; D170-R212 IonicContact OD1-CZ 3.9Å; D170-R212 IonicContact OD1-NE 3.08Å; D170-R212 IonicContact OD1-NH2 3.96Å; D170-R212 PolarHBondContact OD1-NH2 3.19Å; D170-R212 WeakPolarHBondContact OD2-CB 3.42Å; D170-R212 WeakPolarHBondContact OD2-CG 3.23Å; D170-R212 IonicContact OD2-CZ 3.91Å; D170-R212 PolarHBondContact OD2-N 2.43Å; D170-R212 VanDerWaalsContact OD2-N 3.12Å; D170-R212 IonicContact OD2-NE 3.91Å; D170-R212 PolarHBondContact OD2-NE 2.95Å; D170-R212 IonicContact OD2-NH2 3.68Å; R212-F223 HydrophobicContact CB-CB 4.28Å; R212-I224 CarbonylContact C-O 3.52Å; R212-I224 WeakPolarHBondContact CA-O 3.45Å
213	F	90.9	Very high	78.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.7	177.8	-89.9	-111.1	0	0	0	110.1	F131 L150 V162 L165 I166 V211 C215 F223 I224 L226 L228	F131-F213 HydrophobicContact CZ-CE1 4.35Å; L150-F213 HydrophobicContact CD1-CB 4.34Å; L150-F213 HydrophobicContact CD1-CD1 3.98Å; L150-F213 HydrophobicContact CD1-CG 4.48Å; L150-F213 HydrophobicContact CD2-CB 3.83Å; V162-F213 HydrophobicContact CG2-CE1 3.73Å; V162-F213 HydrophobicContact CG2-CZ 3.85Å; L165-F213 HydrophobicContact CB-CD1 4.07Å; L165-F213 HydrophobicContact CB-CE1 4.38Å; L165-F213 CarbonylContact O-C 3.36Å; L165-F213 WeakPolarHBondContact O-CA 3.05Å; I166-F213 HydrophobicContact CD1-CZ 4.36Å; I166-F213 HydrophobicContact CG1-CE1 4.34Å; I166-F213 HydrophobicContact CG1-CE2 4.15Å; I166-F213 HydrophobicContact CG1-CZ 4.04Å; V211-F213 HydrophobicContact CB-CD2 4.38Å; V211-F213 HydrophobicContact CB-CE2 4.1Å; V211-F213 HydrophobicContact CG1-CD2 3.31Å; V211-F213 HydrophobicContact CG1-CE2 2.87Å; V211-F213 HydrophobicContact CG1-CZ 4.09Å; V211-F213 HydrophobicContact CG2-CD2 4.32Å; V211-F213 HydrophobicContact CG2-CE2 4.11Å; F213-C215 PolarHBondContact O-N 3.34Å; F213-F223 CarbonylContact O-C 3.51Å; F213-F223 VanDerWaalsContact O-C 3.32Å; F213-F223 WeakPolarHBondContact O-CA 3.47Å; F213-F223 WeakPolarHBondContact O-CB 3.45Å; F213-I224 HydrophobicContact CB-CG2 4.36Å; F213-I224 PolarHBondContact N-O 3.28Å; F213-I224 PolarHBondContact O-N 3.46Å; F213-L226 HydrophobicContact CB-CD1 3.73Å; F213-L226 HydrophobicContact CB-CG 4.37Å; F213-L226 HydrophobicContact CD1-CD1 4.35Å; F213-L226 HydrophobicContact CD2-CB 4.39Å; F213-L226 HydrophobicContact CD2-CD1 3.73Å; F213-L226 HydrophobicContact CD2-CG 4.36Å; F213-L226 HydrophobicContact CE2-CD1 4.44Å; F213-L226 HydrophobicContact CG-CD1 3.69Å; F213-L228 HydrophobicContact CE2-CD1 3.98Å; F213-L228 HydrophobicContact CE2-CD2 4.47Å
214	R	90	Very high	78.2	Confident	32 Å²	32	44.5 Å²	44.5	12%	0.121	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	131.7	173.8	-170.4	171	-178.7	175.7	-2	109.8	W5 F152 L165 G222 F223	W5-R214 CovalentContact CE3-NH2 1.68Å; W5-R214 VanDerWaalsContact CG-NH1 3.33Å; W5-R214 CovalentContact CZ3-CZ 1.71Å; W5-R214 CovalentContact CZ3-NH2 1.4Å; F152-R214 HydrophobicContact CE2-CB 4.05Å; F152-R214 HydrophobicContact CE2-CG 4.23Å; F152-R214 WeakPolarHBondContact CE2-O 3.4Å; F152-R214 HydrophobicContact CZ-CB 4.03Å; F152-R214 HydrophobicContact CZ-CG 3.84Å; L165-R214 WeakPolarHBondContact O-CB 3.34Å; L165-R214 PolarHBondContact O-N 3.23Å; R214-G222 CarbonylContact C-O 3.52Å; R214-G222 VanDerWaalsContact CA-O 3.28Å; R214-G222 WeakPolarHBondContact CA-O 3.39Å; R214-G222 WeakPolarHBondContact CG-O 2.96Å; R214-F223 HydrophobicContact CB-CD1 4.3Å; R214-F223 HydrophobicContact CB-CE1 4.12Å
215	C	87.3	Confident	78.1	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.027	23%	0.225	C	C	.	.			trans	-127.8	0	-179.8	179	0	0	0	0	109.8	Y149 L150 F213 L217 D218 G222 I224	Y149-C215 PolarHBondContact O-SG 3.5Å; L150-C215 HydrophobicContact CD2-CB 4.49Å; L150-C215 CarbonylContact O-C 3.51Å; L150-C215 WeakPolarHBondContact O-CA 2.98Å; F213-C215 PolarHBondContact O-N 3.34Å; C215-L217 PolarHBondContact SG-N 3.12Å; C215-L217 VanDerWaalsContact SG-N 3.39Å; C215-D218 HydrophobicContact CB-CB 4.34Å; C215-G222 PolarHBondContact N-O 2.96Å; C215-G222 CarbonylContact O-C 3.57Å; C215-I224 HydrophobicContact CB-CB 3.71Å; C215-I224 HydrophobicContact CB-CG2 3.54Å
216	L	86.9	Confident	78.1	Confident	87 Å²	87	42.2 Å²	42.2	46%	0.455	23%	0.225	S	C	.	.	S	Bend		0	-7.9	0	-61.9	-179.6	0	0	0	110.5	L150 G151 F152	L150-L216 PolarHBondContact O-N 3.4Å; G151-L216 WeakPolarHBondContact O-CD1 2.96Å; F152-L216 HydrophobicContact CD1-CD1 3.79Å; F152-L216 HydrophobicContact CD1-CG 4.28Å; F152-L216 HydrophobicContact CE1-CD1 3.71Å; F152-L216 HydrophobicContact CE1-CD2 4.15Å; F152-L216 HydrophobicContact CE1-CG 3.84Å; F152-L216 HydrophobicContact CE2-CG 4.1Å; F152-L216 HydrophobicContact CG-CD1 4.3Å; F152-L216 HydrophobicContact CZ-CD1 4.16Å; F152-L216 HydrophobicContact CZ-CD2 3.97Å; F152-L216 HydrophobicContact CZ-CG 3.74Å
217	L	80.8	Confident	78	Confident	76 Å²	76	39.2 Å²	39.2	40%	0.398	21%	0.212	S	C	.	.	S	Bend	trans	-89.8	0	-175.7	-58.4	175.6	0	0	0	110.4	H148 C215	H148-L217 WeakPolarHBondContact O-CD1 3.01Å; C215-L217 PolarHBondContact SG-N 3.12Å; C215-L217 VanDerWaalsContact SG-N 3.39Å
218	D	61.5	Low	78.3	Confident	37 Å²	37	39 Å²	39	20%	0.198	21%	0.211	C	C	.	.				0	117.5	0	-165.5	1.3	0	0	0	110.1	C215 T220 R384	C215-D218 HydrophobicContact CB-CB 4.34Å; D218-T220 VanDerWaalsContact CG-OG1 3.24Å; D218-T220 PolarHBondContact OD1-N 3.32Å; D218-T220 PolarHBondContact OD1-OG1 3.25Å; D218-T220 PolarHBondContact OD2-OG1 3.05Å; D218-R384 IonicContact OD2-NH1 3.11Å; D218-R384 IonicContact OD2-NH2 3.03Å
219	N	52.2	Low	78.5	Confident	151 Å²	151	36 Å²	36	81%	0.807	20%	0.201	S	C	*	.	S	Bend	trans	-85.4	5.1	-175.9	-65.8	-18.9	0	0	0	110.6
220	T	52.2	Low	78.6	Confident	86 Å²	86	35.8 Å²	35.8	53%	0.528	20%	0.202	S	C	.	.	S	Bend	trans	-100.8	-40.7	-171.2	51.6	0	0	0	0	109.8	D218 R384	D218-T220 VanDerWaalsContact CG-OG1 3.24Å; D218-T220 PolarHBondContact OD1-N 3.32Å; D218-T220 PolarHBondContact OD1-OG1 3.25Å; D218-T220 PolarHBondContact OD2-OG1 3.05Å; T220-R384 PolarHBondContact OG1-NH1 3.31Å
221	S	62.6	Low	79	Confident	54 Å²	54	38 Å²	38	38%	0.378	21%	0.208	S	C	.	.	S	Bend	trans	-125.7	-2.4	-175.5	62.8	0	0	0	0	110.3	F223	S221-F223 WeakPolarHBondContact O-CD2 3.36Å; S221-F223 PolarHBondContact O-N 3.27Å; S221-F223 PolarHBondContact OG-N 3.33Å; S221-F223 VanDerWaalsContact OG-N 3.1Å; S221-F223 PolarHBondContact OG-O 3.38Å
222	G	78.3	Confident	79.2	Confident	26 Å²	26	38 Å²	38	27%	0.268	21%	0.208	S	C	.	.	S	Bend	trans	60.8	0	-176	0	0	0	0	0	111.7	R214 C215	R214-G222 CarbonylContact C-O 3.52Å; R214-G222 VanDerWaalsContact CA-O 3.28Å; R214-G222 WeakPolarHBondContact CA-O 3.39Å; R214-G222 WeakPolarHBondContact CG-O 2.96Å; C215-G222 PolarHBondContact N-O 2.96Å; C215-G222 CarbonylContact O-C 3.57Å
223	F	83.4	Confident	79.2	Confident	43 Å²	43	37.6 Å²	37.6	19%	0.189	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)		0	147.1	0	-70	-90.1	0	0	0	109.2	H167 R212 F213 R214 S221	H167-F223 HydrophobicContact CB-CD1 4Å; H167-F223 HydrophobicContact CB-CE1 3.88Å; H167-F223 HydrophobicContact CB-CZ 4.42Å; H167-F223 AromaticContact CD2-CD2 3.83Å; H167-F223 AromaticContact CD2-CE2 3.65Å; H167-F223 AromaticContact CD2-CZ 3.75Å; R212-F223 HydrophobicContact CB-CB 4.28Å; F213-F223 CarbonylContact O-C 3.51Å; F213-F223 VanDerWaalsContact O-C 3.32Å; F213-F223 WeakPolarHBondContact O-CA 3.47Å; F213-F223 WeakPolarHBondContact O-CB 3.45Å; R214-F223 HydrophobicContact CB-CD1 4.3Å; R214-F223 HydrophobicContact CB-CE1 4.12Å; S221-F223 WeakPolarHBondContact O-CD2 3.36Å; S221-F223 PolarHBondContact O-N 3.27Å; S221-F223 PolarHBondContact OG-N 3.33Å; S221-F223 VanDerWaalsContact OG-N 3.1Å; S221-F223 PolarHBondContact OG-O 3.38Å
224	I	79	Confident	78.8	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.7	176.6	-176.3	165.8	0	0	0	107.9	L150 R212 F213 C215 L226 P290	L150-I224 HydrophobicContact CD2-CG2 3.24Å; R212-I224 CarbonylContact C-O 3.52Å; R212-I224 WeakPolarHBondContact CA-O 3.45Å; F213-I224 HydrophobicContact CB-CG2 4.36Å; F213-I224 PolarHBondContact N-O 3.28Å; F213-I224 PolarHBondContact O-N 3.46Å; C215-I224 HydrophobicContact CB-CB 3.71Å; C215-I224 HydrophobicContact CB-CG2 3.54Å; I224-L226 HydrophobicContact CG1-CD2 4.45Å; I224-L226 HydrophobicContact CG2-CD2 4.18Å; I224-L226 HydrophobicContact CG2-CG 4.11Å; I224-L226 PolarHBondContact O-N 3.28Å; I224-P290 HydrophobicContact CD1-CB 3.98Å
225	T	80.2	Confident	78.4	Confident	21 Å²	21	37 Å²	37	13%	0.129	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.5	-178.7	-57.5	0	0	0	0	109.8	L291 L366	T225-L291 HydrophobicContact CG2-CB 4.5Å; T225-L291 HydrophobicContact CG2-CD1 3.43Å; T225-L291 VanDerWaalsContact CG2-CD1 3.43Å; T225-L291 HydrophobicContact CG2-CG 4.3Å; T225-L291 PolarHBondContact O-N 3.49Å; T225-L366 VanDerWaalsContact CB-CD1 3.47Å; T225-L366 HydrophobicContact CG2-CD1 3.73Å; T225-L366 WeakPolarHBondContact OG1-CD1 3.27Å
226	L	83.4	Confident	77.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.4	-178.5	-63.9	175.9	0	0	0	109.2	F129 L150 T210 V211 F213 I224 L228 C288 S289 P290	F129-L226 HydrophobicContact CE1-CD1 3.87Å; F129-L226 HydrophobicContact CZ-CD1 3.6Å; L150-L226 HydrophobicContact CD1-CD1 4.27Å; L150-L226 HydrophobicContact CD2-CD1 3.72Å; L150-L226 HydrophobicContact CD2-CG 4.47Å; L150-L226 HydrophobicContact CG-CD1 4.35Å; T210-L226 CarbonylContact C-O 3.56Å; T210-L226 WeakPolarHBondContact CA-O 3.24Å; V211-L226 PolarHBondContact N-O 3.39Å; V211-L226 PolarHBondContact O-N 3.18Å; F213-L226 HydrophobicContact CB-CD1 3.73Å; F213-L226 HydrophobicContact CB-CG 4.37Å; F213-L226 HydrophobicContact CD1-CD1 4.35Å; F213-L226 HydrophobicContact CD2-CB 4.39Å; F213-L226 HydrophobicContact CD2-CD1 3.73Å; F213-L226 HydrophobicContact CD2-CG 4.36Å; F213-L226 HydrophobicContact CE2-CD1 4.44Å; F213-L226 HydrophobicContact CG-CD1 3.69Å; I224-L226 HydrophobicContact CG1-CD2 4.45Å; I224-L226 HydrophobicContact CG2-CD2 4.18Å; I224-L226 HydrophobicContact CG2-CG 4.11Å; I224-L226 PolarHBondContact O-N 3.28Å; L226-L228 HydrophobicContact CB-CD1 4.01Å; L226-C288 HydrophobicContact CD1-CB 4.42Å; L226-S289 WeakPolarHBondContact CA-O 3.24Å; L226-P290 VanDerWaalsContact CD2-CA 3.43Å; L226-P290 HydrophobicContact CD2-CB 3.83Å
227	E	80.1	Confident	76.2	Confident	25 Å²	25	38.7 Å²	38.7	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	170.7	-177.9	-177.4	-166.4	0	0	109.8	Q208 T210 C288 S289 L291	Q208-E227 PolarHBondContact NE2-OE1 3.05Å; T210-E227 HydrophobicContact CG2-CB 4.46Å; E227-C288 WeakPolarHBondContact O-CA 3.3Å; E227-S289 PolarHBondContact N-O 2.86Å; E227-S289 PolarHBondContact O-N 3.4Å; E227-L291 HydrophobicContact CB-CD2 4.06Å; E227-L291 HydrophobicContact CB-CG 4.28Å
228	L	88	Confident	75.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.2	178.7	-82	75.4	0	0	0	109.1	F174 Q208 F209 V211 F213 L226 F284	F174-L228 HydrophobicContact CE2-CD2 4.07Å; Q208-L228 CarbonylContact C-O 3.57Å; Q208-L228 WeakPolarHBondContact CA-O 3.39Å; F209-L228 HydrophobicContact CE1-CB 4.25Å; F209-L228 HydrophobicContact CE2-CB 4.33Å; F209-L228 HydrophobicContact CE2-CD2 4.14Å; F209-L228 HydrophobicContact CZ-CB 4.11Å; F209-L228 HydrophobicContact CZ-CD2 3.87Å; F209-L228 PolarHBondContact N-O 3.49Å; F209-L228 PolarHBondContact O-N 3.12Å; V211-L228 HydrophobicContact CB-CD1 4.33Å; V211-L228 HydrophobicContact CG1-CD1 3.01Å; V211-L228 HydrophobicContact CG1-CD2 4.27Å; V211-L228 HydrophobicContact CG1-CG 4.24Å; F213-L228 HydrophobicContact CE2-CD1 3.98Å; F213-L228 HydrophobicContact CE2-CD2 4.47Å; L226-L228 HydrophobicContact CB-CD1 4.01Å; L228-F284 HydrophobicContact CB-CE1 4.3Å; L228-F284 HydrophobicContact CD2-CE1 3.97Å
229	S	82.5	Confident	74.6	Confident	29 Å²	29	39 Å²	39	20%	0.203	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.1	179.1	-62.2	0	0	0	0	109.4	A286 V287	S229-A286 CarbonylContact O-C 3.31Å; S229-A286 VanDerWaalsContact O-CA 3.25Å; S229-A286 WeakPolarHBondContact O-CA 3.02Å; S229-V287 PolarHBondContact N-O 3.25Å; S229-V287 PolarHBondContact O-N 2.99Å
230	G	84.7	Confident	74.4	Confident	7 Å²	7	38.5 Å²	38.5	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-161.5	-179	0	0	0	0	0	110.6	R207 F285	R207-G230 PolarHBondContact N-O 2.94Å; R207-G230 PolarHBondContact O-N 3.5Å; G230-F285 CarbonylContact C-O 3.44Å; G230-F285 WeakPolarHBondContact CA-O 3.25Å
231	R	86.3	Confident	73.4	Confident	59 Å²	59	39.6 Å²	39.6	22%	0.223	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.4	-177.2	67.4	177.1	180	172.3	4.3	109.9	Q233 F285 S708	R231-Q233 VanDerWaalsContact CD-CD 3.4Å; R231-Q233 HydrophobicContact CG-CG 3.67Å; R231-Q233 VanDerWaalsContact NE-CG 3.34Å; R231-Q233 CovalentContact NE-NE2 1.17Å; R231-Q233 VanDerWaalsContact NH1-NE2 3.12Å; R231-F285 PolarHBondContact N-O 3.23Å; R231-F285 PolarHBondContact O-N 3.44Å; R231-S708 WeakPolarHBondContact CD-OG 3.31Å; R231-S708 PolarHBondContact NH1-OG 3.4Å
232	L	88.7	Confident	72	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126	176.7	-67.8	171.1	0	0	0	109.6	W180 L205 R207 L282 G283 F284	W180-L232 HydrophobicContact CB-CD1 4.17Å; L205-L232 HydrophobicContact CB-CB 4.28Å; L205-L232 PolarHBondContact O-N 3.24Å; R207-L232 HydrophobicContact CG-CG 4.4Å; L232-L282 HydrophobicContact CB-CD1 4.27Å; L232-L282 HydrophobicContact CB-CD2 3.97Å; L232-L282 HydrophobicContact CB-CG 4.15Å; L232-L282 HydrophobicContact CD1-CD2 4.2Å; L232-L282 HydrophobicContact CD2-CD2 4.43Å; L232-L282 HydrophobicContact CG-CD2 4.44Å; L232-G283 CarbonylContact C-O 3.47Å; L232-G283 VanDerWaalsContact CA-O 3.29Å; L232-G283 WeakPolarHBondContact CA-O 2.99Å; L232-F284 HydrophobicContact CD2-CB 3.73Å; L232-F284 HydrophobicContact CD2-CD2 3.79Å; L232-F284 HydrophobicContact CD2-CG 4.17Å; L232-F284 HydrophobicContact CG-CD2 4.29Å
233	Q	84.4	Confident	69.7	Low	32 Å²	32	51.6 Å²	51.6	15%	0.15	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.6	-177.5	-71.8	-178.5	29.1	0	0	109.6	R231 L235 L282 G283 F285	R231-Q233 VanDerWaalsContact CD-CD 3.4Å; R231-Q233 HydrophobicContact CG-CG 3.67Å; R231-Q233 VanDerWaalsContact NE-CG 3.34Å; R231-Q233 CovalentContact NE-NE2 1.17Å; R231-Q233 VanDerWaalsContact NH1-NE2 3.12Å; Q233-L235 PolarHBondContact O-N 2.61Å; Q233-L282 CarbonylContact O-C 3.58Å; Q233-L282 WeakPolarHBondContact O-CD1 3.1Å; Q233-G283 PolarHBondContact N-O 2.9Å; Q233-G283 WeakPolarHBondContact O-CA 3.39Å; Q233-G283 PolarHBondContact O-N 2.94Å; Q233-G283 VanDerWaalsContact O-O 3.05Å; Q233-F285 HydrophobicContact CB-CD2 3.78Å; Q233-F285 HydrophobicContact CB-CE2 3.69Å; Q233-F285 HydrophobicContact CG-CD2 4.46Å
234	F	83.1	Confident	67	Low	19 Å²	19	55.9 Å²	55.9	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.5	-178.5	-76.4	-60	0	0	0	110	L193 M197 H236 L279 P280 P281 L282	L193-F234 HydrophobicContact CD1-CE1 4.44Å; L193-F234 HydrophobicContact CD2-CD1 4.3Å; L193-F234 HydrophobicContact CD2-CD2 4.48Å; L193-F234 HydrophobicContact CD2-CE1 3.09Å; L193-F234 HydrophobicContact CD2-CE2 3.33Å; L193-F234 HydrophobicContact CD2-CZ 2.42Å; L193-F234 HydrophobicContact CG-CE1 4.37Å; L193-F234 HydrophobicContact CG-CZ 3.94Å; M197-F234 HydrophobicContact CB-CE2 4.31Å; M197-F234 HydrophobicContact CE-CD2 3.15Å; M197-F234 HydrophobicContact CE-CE2 3.43Å; M197-F234 VanDerWaalsContact CE-CE2 3.43Å; M197-F234 HydrophobicContact CE-CG 4.05Å; M197-F234 HydrophobicContact CE-CZ 4.5Å; M197-F234 HydrophobicContact CG-CD2 4.16Å; M197-F234 HydrophobicContact CG-CE2 3.35Å; M197-F234 HydrophobicContact CG-CZ 3.98Å; M197-F234 HydrophobicContact SD-CD2 4.12Å; M197-F234 HydrophobicContact SD-CE2 3.82Å; M197-F234 HydrophobicContact SD-CZ 4.47Å; F234-H236 PolarHBondContact O-N 2.78Å; F234-H236 PolarHBondContact O-ND1 3.1Å; F234-L279 HydrophobicContact CE1-CB 4.4Å; F234-L279 HydrophobicContact CE1-CD2 4.18Å; F234-L279 HydrophobicContact CZ-CD2 3.83Å; F234-P280 HydrophobicContact CB-CB 4.17Å; F234-P280 HydrophobicContact CB-CG 3.64Å; F234-P280 HydrophobicContact CD1-CB 4.35Å; F234-P280 HydrophobicContact CD1-CG 3.7Å; F234-P280 WeakPolarHBondContact CD1-O 3.32Å; F234-P280 HydrophobicContact CD2-CG 4.49Å; F234-P280 HydrophobicContact CE1-CG 4.49Å; F234-P280 HydrophobicContact CG-CG 3.71Å; F234-P281 CarbonylContact C-O 3.45Å; F234-L282 HydrophobicContact CD1-CD1 4.25Å; F234-L282 HydrophobicContact CE1-CD1 4.45Å
235	L	80.2	Confident	64.5	Low	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.334	C	S	.	.			trans	-84.6	89.4	170.1	-67.5	173.3	0	0	0	110.3	Y88 I132 F140 Q233 Q238 P280 P281 F285	Y88-L235 HydrophobicContact CD2-CB 4.38Å; Y88-L235 HydrophobicContact CD2-CD2 4.45Å; Y88-L235 HydrophobicContact CE2-CB 4.24Å; Y88-L235 HydrophobicContact CE2-CD2 4.04Å; I132-L235 HydrophobicContact CG2-CD2 4.16Å; F140-L235 HydrophobicContact CD1-CD2 4.19Å; F140-L235 HydrophobicContact CD2-CD1 4.29Å; F140-L235 HydrophobicContact CE1-CD2 4.37Å; F140-L235 HydrophobicContact CG-CD1 4.47Å; F140-L235 HydrophobicContact CG-CD2 4.37Å; Q233-L235 PolarHBondContact O-N 2.61Å; L235-Q238 HydrophobicContact CB-CG 4.5Å; L235-P280 VanDerWaalsContact O-CB 3.31Å; L235-P280 WeakPolarHBondContact O-CB 3.5Å; L235-P281 WeakPolarHBondContact CA-O 2.78Å; L235-P281 HydrophobicContact CB-CG 4.01Å; L235-P281 WeakPolarHBondContact CB-O 2.91Å; L235-P281 PolarHBondContact N-O 2.76Å; L235-P281 WeakPolarHBondContact O-CD 3.22Å; L235-F285 HydrophobicContact CD2-CE2 3.78Å; L235-F285 HydrophobicContact CD2-CZ 3.48Å; L235-F285 VanDerWaalsContact CD2-CZ 3.48Å
236	H	69.4	Low	62.1	Low	78 Å²	78	63.8 Å²	63.8	36%	0.361	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	146.5	-175.8	-64	91	0	0	0	111.2	Y88 A91 F234 Q238	Y88-H236 WeakPolarHBondContact CA-O 3.07Å; Y88-H236 HydrophobicContact CD2-CB 4.39Å; Y88-H236 WeakPolarHBondContact CD2-O 3.5Å; Y88-H236 HydrophobicContact CE2-CB 4.28Å; A91-H236 HydrophobicContact CB-CB 4.36Å; F234-H236 PolarHBondContact O-N 2.78Å; F234-H236 PolarHBondContact O-ND1 3.1Å; H236-Q238 PolarHBondContact O-N 3.3Å
237	G	60.1	Low	59.5	Low	48 Å²	48	70.9 Å²	70.9	50%	0.495	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	4.3	172.4	0	0	0	0	0	111.6
238	Q	59.6	Low	57.1	Low	27 Å²	27	74.6 Å²	74.6	13%	0.126	43%	0.425	C	S	.	.			trans	-112.6	73.6	178.3	-64.8	-149.8	-34.5	0	0	109.2	F140 L235 H236 R240 P281	F140-Q238 VanDerWaalsContact CD2-NE2 3.31Å; F140-Q238 HydrophobicContact CE2-CG 4.24Å; F140-Q238 VanDerWaalsContact CZ-NE2 3.35Å; L235-Q238 HydrophobicContact CB-CG 4.5Å; H236-Q238 PolarHBondContact O-N 3.3Å; Q238-R240 PolarHBondContact O-N 2.57Å; Q238-P281 HydrophobicContact CB-CG 3.54Å; Q238-P281 HydrophobicContact CG-CG 4.39Å; Q238-P281 VanDerWaalsContact O-CD 3.24Å; Q238-P281 WeakPolarHBondContact O-CD 3.46Å
239	A	47.2	Very low	54.4	Low	94 Å²	94	83.5 Å²	83.5	78%	0.777	47%	0.467	S	S	*	.			trans	-72.7	89.8	178.2	0	0	0	0	0	110.4	S241	A239-S241 VanDerWaalsContact C-N 3.25Å; A239-S241 PolarHBondContact O-N 2.65Å; A239-S241 VanDerWaalsContact O-N 3.17Å
240	R	48.3	Very low	52.1	Low	140 Å²	140	91.2 Å²	91.2	53%	0.528	50%	0.5	S	S	.	.			trans	-58.5	0	168.9	-81.5	-170	-178.7	170.8	-1.2	110.2	D136 Q238 M242	D136-R240 IonicContact OD2-CZ 3.08Å; D136-R240 IonicContact OD2-NH1 3.9Å; D136-R240 PolarHBondContact OD2-NH1 3.35Å; D136-R240 VanDerWaalsContact OD2-NH1 3.11Å; D136-R240 IonicContact OD2-NH2 3.52Å; D136-R240 PolarHBondContact OD2-NH2 3.1Å; Q238-R240 PolarHBondContact O-N 2.57Å; R240-M242 HydrophobicContact CB-CG 4.46Å; R240-M242 PolarHBondContact O-N 2.65Å
241	S	31.3	Very low	49.5	Very low	108 Å²	108	94.4 Å²	94.4	76%	0.755	53%	0.526	S	S	*	.				0	63.8	0	178.5	0	0	0	0	111.4	A239 Q243	A239-S241 VanDerWaalsContact C-N 3.25Å; A239-S241 PolarHBondContact O-N 2.65Å; A239-S241 VanDerWaalsContact O-N 3.17Å; S241-Q243 PolarHBondContact O-N 3.24Å
242	M	33.6	Very low	47	Very low	149 Å²	149	99.1 Å²	99.1	73%	0.734	56%	0.555	S	S	*	*			trans	-49.6	0	170.6	-82	-159.3	-63.7	0	0	110.4	R240 L244	R240-M242 HydrophobicContact CB-CG 4.46Å; R240-M242 PolarHBondContact O-N 2.65Å; M242-L244 PolarHBondContact O-N 2.91Å
243	Q	29.3	Very low	44.2	Very low	184 Å²	184	104 Å²	104	86%	0.86	59%	0.589	S	S	*	*				0	66.4	0	-109.1	168.6	-9.1	0	0	111.6	S241 S245	S241-Q243 PolarHBondContact O-N 3.24Å; Q243-S245 PolarHBondContact O-N 2.56Å
244	L	27.6	Very low	41.6	Very low	132 Å²	132	106.7 Å²	106.7	69%	0.691	61%	0.611	S	S	*	*			trans	-55.3	0	153.2	-88.9	130.1	0	0	0	110.8	M242 V246	M242-L244 PolarHBondContact O-N 2.91Å; L244-V246 HydrophobicContact CB-CG2 3.91Å; L244-V246 PolarHBondContact O-N 2.69Å
245	S	26.9	Very low	39.1	Very low	99 Å²	99	111.4 Å²	111.4	69%	0.692	64%	0.641	S	S	*	*				0	71.3	0	61.2	0	0	0	0	111.2	Q243	Q243-S245 PolarHBondContact O-N 2.56Å
246	V	30.6	Very low	37	Very low	108 Å²	108	118.2 Å²	118.2	66%	0.655	68%	0.678	S	S	*	*			trans	-68.4	71.2	154.5	-156.4	0	0	0	0	108.8	L244 S248	L244-V246 HydrophobicContact CB-CG2 3.91Å; L244-V246 PolarHBondContact O-N 2.69Å; V246-S248 PolarHBondContact O-N 2.54Å; V246-S248 VanDerWaalsContact O-N 3.13Å
247	N	27.6	Very low	35.3	Very low	149 Å²	149	122.1 Å²	122.1	80%	0.797	70%	0.696	S	S	*	*			trans	-42	78.9	154	-67.4	-18.5	0	0	0	111.4
248	S	29.9	Very low	33.9	Very low	103 Å²	103	126 Å²	126	72%	0.72	71%	0.706	S	S	*	*			trans	-77.9	72.7	150.6	53.9	0	0	0	0	110.7	V246	V246-S248 PolarHBondContact O-N 2.54Å; V246-S248 VanDerWaalsContact O-N 3.13Å
249	E	30.5	Very low	32.9	Very low	186 Å²	186	132.2 Å²	132.2	87%	0.869	74%	0.738	S	S	*	*			trans	-92	87.2	148.2	-80.1	-179.6	174.4	0	0	109.8
250	Q	33.9	Very low	32.3	Very low	191 Å²	191	132.6 Å²	132.6	89%	0.893	74%	0.735	S	S	*	*				-25.8	93.9	125.7	-113.8	161.2	26.4	0	0	111.8
251	A	30.2	Very low	31.6	Very low	75 Å²	75	133.5 Å²	133.5	62%	0.62	75%	0.75	S	S	*	*				145	0	123.6	0	0	0	0	0	109.4
252	N	33.8	Very low	31.6	Very low	157 Å²	157	137 Å²	137	84%	0.84	75%	0.752	S	S	*	*				0	97.8	0	-72.1	-17	0	0	0	110.2
253	S	31.8	Very low	31.4	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	75%	0.754	S	S	*	*				118.5	95.2	120.1	154.8	0	0	0	0	109.9
254	C	29	Very low	31.5	Very low	90 Å²	90	138.2 Å²	138.2	61%	0.608	75%	0.754	S	S	*	*				96.5	113.6	113.3	40.4	0	0	0	0	109.9
255	T	31.1	Very low	31.5	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	77%	0.767	S	S	*	*				99.4	101.3	105.9	51	0	0	0	0	109.8
256	N	34.7	Very low	31.8	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	76%	0.762	S	S	*	*				134.5	111.4	121.1	-89.4	-30.1	0	0	0	110
257	Q	33.9	Very low	31.8	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	77%	0.772	S	S	*	*				42.5	115.4	106.3	-75.6	-175.2	0.9	0	0	111.1
258	N	30.3	Very low	31.9	Very low	131 Å²	131	137.7 Å²	137.7	70%	0.701	77%	0.77	S	S	*	*				115.1	0	110.9	-80.1	-20.4	0	0	0	110.3
259	I	39.2	Very low	32.2	Very low	157 Å²	157	139.7 Å²	139.7	81%	0.805	76%	0.763	S	S	*	*				0	0	0	-69.6	169.1	0	0	0	108.1
260	S	35.7	Very low	32.1	Very low	101 Å²	101	137 Å²	137	71%	0.706	76%	0.759	S	S	*	*				0	110.7	0	62.9	0	0	0	0	110.8
261	N	32	Very low	32.2	Very low	159 Å²	159	133.2 Å²	133.2	85%	0.85	75%	0.748	S	S	*	*				51.6	0	102.3	-84.1	-8.6	0	0	0	111.6
262	K	31.9	Very low	32	Very low	182 Å²	182	134.3 Å²	134.3	79%	0.791	75%	0.752	S	S	*	*				0	0	0	-112.8	179.6	-175.5	177.4	0	109.3
263	Y	29.8	Very low	32	Very low	201 Å²	201	132.6 Å²	132.6	79%	0.788	75%	0.747	S	S	*	*				0	0	0	-68.5	-78.3	0	0	0	109.1
264	N	30.8	Very low	31.9	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	75%	0.751	S	S	*	*				0	83.3	0	-85.4	-13.3	0	0	0	109.7
265	T	28.6	Very low	32	Very low	157 Å²	157	136.2 Å²	136.2	96%	0.963	76%	0.761	S	S	*	*			trans	-92.2	0	155.4	15.1	0	0	0	0	109.6
266	S	33.4	Very low	32.2	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	76%	0.76	S	S	*	*	S	Bend		0	82.5	0	65.6	0	0	0	0	109.4	S268	S266-S268 PolarHBondContact O-N 3.4Å
267	C	29.6	Very low	32.5	Very low	127 Å²	127	139 Å²	139	86%	0.858	76%	0.761	S	S	*	*			trans	22.2	72.2	150.6	-71.9	0	0	0	0	111.2
268	S	29.7	Very low	33.2	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	76%	0.76	S	S	*	*			trans	-82	93.1	164.7	35.8	0	0	0	0	110.1	S266	S266-S268 PolarHBondContact O-N 3.4Å
269	Y	36.4	Very low	34.4	Very low	145 Å²	145	135.4 Å²	135.4	57%	0.569	75%	0.747	S	S	*	*			trans	-47.4	84	151.6	-74.6	-78.1	0	0	0	111.2	W180 R181	W180-Y269 PolarHBondContact NE1-OH 2.76Å; R181-Y269 VanDerWaalsContact NH1-CZ 3.33Å; R181-Y269 PolarHBondContact NH1-OH 3.45Å; R181-Y269 VanDerWaalsContact NH1-OH 3.14Å
270	T	28.2	Very low	35.7	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	72%	0.718	S	S	*	*			trans	-98.8	84.1	153.4	48.7	0	0	0	0	109.2
271	V	36.3	Very low	37.7	Very low	110 Å²	110	126 Å²	126	67%	0.667	69%	0.693	S	S	*	*			trans	-99	89.6	157.6	179.1	0	0	0	0	108.6
272	S	26.3	Very low	40.3	Very low	99 Å²	99	119.3 Å²	119.3	69%	0.692	66%	0.658	S	S	*	*			trans	-8.2	0	132	40.2	0	0	0	0	111.7
273	T	34.1	Very low	43	Very low	121 Å²	121	110.7 Å²	110.7	74%	0.742	62%	0.62	S	S	*	*				0	0	0	34.6	0	0	0	0	108.8
274	S	29.1	Very low	46	Very low	115 Å²	115	101.1 Å²	101.1	80%	0.804	58%	0.582	S	S	*	*	S	Bend		0	0	0	61.1	0	0	0	0	111
275	N	31.1	Very low	48.9	Very low	154 Å²	154	94.8 Å²	94.8	82%	0.824	55%	0.548	S	S	*	.				0	0	0	-88.6	-12.2	0	0	0	109.8	H277	N275-H277 PolarHBondContact O-N 2.8Å
276	Q	35.9	Very low	51.9	Low	149 Å²	149	87.6 Å²	87.6	70%	0.696	50%	0.504	S	S	*	.				0	60.2	0	-79	-171.3	8	0	0	109.8	N278	Q276-N278 PolarHBondContact O-N 2.76Å
277	H	40	Very low	54.5	Low	171 Å²	171	84 Å²	84	79%	0.792	48%	0.478	S	S	*	.			trans	-40.1	0	156.9	-95.5	-79.8	0	0	0	111.3	N275	N275-H277 PolarHBondContact O-N 2.8Å
278	N	49.1	Very low	57.3	Low	135 Å²	135	78 Å²	78	72%	0.722	44%	0.438	S	S	*	.				0	0	0	-75.5	-29.4	0	0	0	110.5	Q276	Q276-N278 PolarHBondContact O-N 2.76Å
279	L	56.1	Low	59.8	Low	80 Å²	80	74.5 Å²	74.5	42%	0.419	41%	0.413	S	S	.	.	P	Polyproline II helix		0	133.7	0	-74.8	145	0	0	0	110.4	F234	F234-L279 HydrophobicContact CE1-CB 4.4Å; F234-L279 HydrophobicContact CE1-CD2 4.18Å; F234-L279 HydrophobicContact CZ-CD2 3.83Å
280	P	64.8	Low	61.7	Low	32 Å²	32	68.5 Å²	68.5	21%	0.208	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.9	177.3	20.1	-24	0	0	0	111.9	F234 L235	F234-P280 HydrophobicContact CB-CB 4.17Å; F234-P280 HydrophobicContact CB-CG 3.64Å; F234-P280 HydrophobicContact CD1-CB 4.35Å; F234-P280 HydrophobicContact CD1-CG 3.7Å; F234-P280 WeakPolarHBondContact CD1-O 3.32Å; F234-P280 HydrophobicContact CD2-CG 4.49Å; F234-P280 HydrophobicContact CE1-CG 4.49Å; F234-P280 HydrophobicContact CG-CG 3.71Å; L235-P280 VanDerWaalsContact O-CB 3.31Å; L235-P280 WeakPolarHBondContact O-CB 3.5Å
281	P	78.7	Confident	63.4	Low	28 Å²	28	63.8 Å²	63.8	18%	0.182	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-55	143.9	179	23.6	-28.2	0	0	0	111.8	F234 L235 Q238	F234-P281 CarbonylContact C-O 3.45Å; L235-P281 WeakPolarHBondContact CA-O 2.78Å; L235-P281 HydrophobicContact CB-CG 4.01Å; L235-P281 WeakPolarHBondContact CB-O 2.91Å; L235-P281 PolarHBondContact N-O 2.76Å; L235-P281 WeakPolarHBondContact O-CD 3.22Å; Q238-P281 HydrophobicContact CB-CG 3.54Å; Q238-P281 HydrophobicContact CG-CG 4.39Å; Q238-P281 VanDerWaalsContact O-CD 3.24Å; Q238-P281 WeakPolarHBondContact O-CD 3.46Å
282	L	86	Confident	64.3	Low	19 Å²	19	60 Å²	60	10%	0.099	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	141	178.4	-168.1	67.2	0	0	0	110.4	C135 W180 L193 L232 Q233 F234	C135-L282 PolarHBondContact N-O 3.34Å; C135-L282 VanDerWaalsContact N-O 3.1Å; C135-L282 VanDerWaalsContact SG-C 3.54Å; C135-L282 WeakPolarHBondContact SG-CB 3.04Å; C135-L282 WeakPolarHBondContact SG-CD2 2.94Å; C135-L282 WeakPolarHBondContact SG-CG 3.44Å; C135-L282 PolarHBondContact SG-O 2.82Å; W180-L282 HydrophobicContact CB-CD2 3.96Å; L193-L282 HydrophobicContact CD1-CD2 4.27Å; L232-L282 HydrophobicContact CB-CD1 4.27Å; L232-L282 HydrophobicContact CB-CD2 3.97Å; L232-L282 HydrophobicContact CB-CG 4.15Å; L232-L282 HydrophobicContact CD1-CD2 4.2Å; L232-L282 HydrophobicContact CD2-CD2 4.43Å; L232-L282 HydrophobicContact CG-CD2 4.44Å; Q233-L282 CarbonylContact O-C 3.58Å; Q233-L282 WeakPolarHBondContact O-CD1 3.1Å; F234-L282 HydrophobicContact CD1-CD1 4.25Å; F234-L282 HydrophobicContact CE1-CD1 4.45Å
283	G	89.3	Confident	65.4	Low	0 Å²	0	57 Å²	57	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.3	179	0	0	0	0	0	110.4	M133 L232 Q233	M133-G283 CarbonylContact O-C 3.51Å; M133-G283 VanDerWaalsContact O-C 3.27Å; M133-G283 WeakPolarHBondContact O-CA 3.12Å; L232-G283 CarbonylContact C-O 3.47Å; L232-G283 VanDerWaalsContact CA-O 3.29Å; L232-G283 WeakPolarHBondContact CA-O 2.99Å; Q233-G283 PolarHBondContact N-O 2.9Å; Q233-G283 WeakPolarHBondContact O-CA 3.39Å; Q233-G283 PolarHBondContact O-N 2.94Å; Q233-G283 VanDerWaalsContact O-O 3.05Å
284	F	92.8	Very high	66.3	Low	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.8	174.5	-177.2	-127.3	0	0	0	110.7	I132 M133 L178 R207 F209 L228 L232 A286	I132-F284 VanDerWaalsContact CA-O 3.32Å; I132-F284 WeakPolarHBondContact CA-O 3.22Å; M133-F284 HydrophobicContact CE-CD1 4.37Å; M133-F284 HydrophobicContact CG-CB 3.67Å; M133-F284 HydrophobicContact CG-CD1 4.25Å; M133-F284 HydrophobicContact CG-CG 4.49Å; M133-F284 PolarHBondContact N-O 3.42Å; M133-F284 PolarHBondContact O-N 3.12Å; M133-F284 HydrophobicContact SD-CD1 4.27Å; L178-F284 HydrophobicContact CD2-CB 3.68Å; L178-F284 HydrophobicContact CD2-CD1 4.12Å; L178-F284 HydrophobicContact CD2-CG 3.97Å; R207-F284 HydrophobicContact CB-CD2 4.46Å; R207-F284 HydrophobicContact CB-CE2 3.47Å; R207-F284 VanDerWaalsContact CB-CE2 3.47Å; R207-F284 HydrophobicContact CB-CZ 3.85Å; R207-F284 HydrophobicContact CG-CD2 4.49Å; R207-F284 HydrophobicContact CG-CE2 3.93Å; F209-F284 HydrophobicContact CE1-CE1 4.01Å; F209-F284 AromaticContact CE1-CZ 3.87Å; F209-F284 HydrophobicContact CE1-CZ 3.87Å; F209-F284 HydrophobicContact CZ-CE1 4.18Å; L228-F284 HydrophobicContact CB-CE1 4.3Å; L228-F284 HydrophobicContact CD2-CE1 3.97Å; L232-F284 HydrophobicContact CD2-CB 3.73Å; L232-F284 HydrophobicContact CD2-CD2 3.79Å; L232-F284 HydrophobicContact CD2-CG 4.17Å; L232-F284 HydrophobicContact CG-CD2 4.29Å; F284-A286 HydrophobicContact CD1-CB 3.65Å; F284-A286 HydrophobicContact CE1-CB 3.07Å; F284-A286 HydrophobicContact CE2-CB 4.24Å; F284-A286 HydrophobicContact CG-CB 4.43Å; F284-A286 HydrophobicContact CZ-CB 3.43Å; F284-A286 VanDerWaalsContact CZ-CB 3.43Å
285	F	92.1	Very high	67.1	Low	26 Å²	26	51.7 Å²	51.7	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.3	178.3	-68.5	-108.7	0	0	0	109.4	Y88 I132 G230 R231 Q233 L235	Y88-F285 HydrophobicContact CE1-CE1 4.35Å; Y88-F285 HydrophobicContact CE1-CZ 4.39Å; Y88-F285 HydrophobicContact CE2-CZ 4.37Å; Y88-F285 AromaticContact CZ-CZ 3.74Å; Y88-F285 WeakPolarHBondContact OH-CE1 3.05Å; Y88-F285 WeakPolarHBondContact OH-CZ 3.35Å; I132-F285 HydrophobicContact CD1-CD1 3.79Å; I132-F285 HydrophobicContact CD1-CE1 3.81Å; I132-F285 HydrophobicContact CG1-CD1 3.83Å; I132-F285 HydrophobicContact CG1-CE1 4.23Å; I132-F285 HydrophobicContact CG1-CG 4.46Å; I132-F285 HydrophobicContact CG2-CD1 4.02Å; I132-F285 HydrophobicContact CG2-CD2 4.49Å; I132-F285 HydrophobicContact CG2-CE1 3.86Å; I132-F285 HydrophobicContact CG2-CE2 4.33Å; I132-F285 HydrophobicContact CG2-CG 4.33Å; I132-F285 HydrophobicContact CG2-CZ 4.03Å; G230-F285 CarbonylContact C-O 3.44Å; G230-F285 WeakPolarHBondContact CA-O 3.25Å; R231-F285 PolarHBondContact N-O 3.23Å; R231-F285 PolarHBondContact O-N 3.44Å; Q233-F285 HydrophobicContact CB-CD2 3.78Å; Q233-F285 HydrophobicContact CB-CE2 3.69Å; Q233-F285 HydrophobicContact CG-CD2 4.46Å; L235-F285 HydrophobicContact CD2-CE2 3.78Å; L235-F285 HydrophobicContact CD2-CZ 3.48Å; L235-F285 VanDerWaalsContact CD2-CZ 3.48Å
286	A	90.6	Very high	67.8	Low	5 Å²	5	47.1 Å²	47.1	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.6	-168.4	0	0	0	0	0	109.5	F131 S229 F284	F131-A286 PolarHBondContact N-O 3.29Å; F131-A286 PolarHBondContact O-N 2.71Å; S229-A286 CarbonylContact O-C 3.31Å; S229-A286 VanDerWaalsContact O-CA 3.25Å; S229-A286 WeakPolarHBondContact O-CA 3.02Å; F284-A286 HydrophobicContact CD1-CB 3.65Å; F284-A286 HydrophobicContact CE1-CB 3.07Å; F284-A286 HydrophobicContact CE2-CB 4.24Å; F284-A286 HydrophobicContact CG-CB 4.43Å; F284-A286 HydrophobicContact CZ-CB 3.43Å; F284-A286 VanDerWaalsContact CZ-CB 3.43Å
287	V	88.4	Confident	68.2	Low	11 Å²	11	46.9 Å²	46.9	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.7	164.9	178.3	0	0	0	0	109.4	L126 S229	L126-V287 HydrophobicContact CD1-CG1 3.8Å; L126-V287 HydrophobicContact CD1-CG2 4.26Å; L126-V287 HydrophobicContact CD2-CG1 3.67Å; L126-V287 HydrophobicContact CD2-CG2 4.22Å; L126-V287 HydrophobicContact CG-CG1 3.72Å; S229-V287 PolarHBondContact N-O 3.25Å; S229-V287 PolarHBondContact O-N 2.99Å
288	C	89.4	Confident	68.2	Low	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.5	-178.2	-58.3	0	0	0	0	109.3	G128 F129 F131 L226 E227	G128-C288 CarbonylContact C-O 3.46Å; G128-C288 WeakPolarHBondContact CA-O 3.4Å; F129-C288 HydrophobicContact CD1-CB 4.14Å; F129-C288 HydrophobicContact CD2-CB 3.96Å; F129-C288 HydrophobicContact CE1-CB 3.65Å; F129-C288 HydrophobicContact CE2-CB 3.44Å; F129-C288 VanDerWaalsContact CE2-CB 3.44Å; F129-C288 VanDerWaalsContact CE2-SG 3.57Å; F129-C288 HydrophobicContact CG-CB 4.28Å; F129-C288 HydrophobicContact CZ-CB 3.27Å; F129-C288 PolarHBondContact N-O 2.44Å; F129-C288 PolarHBondContact O-N 2.73Å; F131-C288 WeakPolarHBondContact CB-SG 2.81Å; L226-C288 HydrophobicContact CD1-CB 4.42Å; E227-C288 WeakPolarHBondContact O-CA 3.3Å
289	S	80.6	Confident	68	Low	34 Å²	34	41.7 Å²	41.7	24%	0.238	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.8	-179.1	-55.8	0	0	0	0	110	L226 E227 L291	L226-S289 WeakPolarHBondContact CA-O 3.24Å; E227-S289 PolarHBondContact N-O 2.86Å; E227-S289 PolarHBondContact O-N 3.4Å; S289-L291 PolarHBondContact O-N 2.99Å
290	P	76.5	Confident	67.3	Low	19 Å²	19	42.8 Å²	42.8	12%	0.123	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.7	178.9	26.7	-31.6	0	0	0	112	Y149 I224 L226 G292 L294	Y149-P290 HydrophobicContact CD1-CG 3.6Å; Y149-P290 HydrophobicContact CE1-CG 3.76Å; I224-P290 HydrophobicContact CD1-CB 3.98Å; L226-P290 VanDerWaalsContact CD2-CA 3.43Å; L226-P290 HydrophobicContact CD2-CB 3.83Å; P290-G292 PolarHBondContact O-N 2.76Å; P290-L294 HydrophobicContact CG-CD2 3.96Å; P290-L294 HydrophobicContact CG-CG 4.33Å
291	L	64.9	Low	66.5	Low	31 Å²	31	43.5 Å²	43.5	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-80.3	101.1	175.4	-71.1	173.7	0	0	0	110.2	T210 T225 E227 S289	T210-L291 HydrophobicContact CG2-CD1 3.51Å; T225-L291 HydrophobicContact CG2-CB 4.5Å; T225-L291 HydrophobicContact CG2-CD1 3.43Å; T225-L291 VanDerWaalsContact CG2-CD1 3.43Å; T225-L291 HydrophobicContact CG2-CG 4.3Å; T225-L291 PolarHBondContact O-N 3.49Å; E227-L291 HydrophobicContact CB-CD2 4.06Å; E227-L291 HydrophobicContact CB-CG 4.28Å; S289-L291 PolarHBondContact O-N 2.99Å
292	G	55.1	Low	65.1	Low	30 Å²	30	53 Å²	53	31%	0.309	30%	0.298	S	S	.	.	S	Bend	trans	125.6	150.3	179	0	0	0	0	0	110.4	P290 L294	P290-G292 PolarHBondContact O-N 2.76Å; G292-L294 PolarHBondContact O-N 2.91Å
293	P	49.1	Very low	63.7	Low	37 Å²	37	56.3 Å²	56.3	24%	0.24	32%	0.316	C	S	.	.	S	Bend	trans	-51.6	124.6	-175.7	10	-8.2	0	0	0	112	Q301 R402	P293-Q301 PolarHBondContact O-NE2 3.18Å; P293-R402 VanDerWaalsContact CD-NE 3.32Å; P293-R402 CovalentContact CG-NH2 1.27Å; P293-R402 PolarHBondContact O-NH1 3.2Å
294	L	52.7	Low	62.7	Low	57 Å²	57	57.6 Å²	57.6	30%	0.298	33%	0.327	S	S	.	.			trans	-40.4	123.3	176.4	-75.6	144.8	0	0	0	111	N127 Y149 P290 G292 S296 Q301	N127-L294 HydrophobicContact CB-CD1 4.36Å; Y149-L294 HydrophobicContact CD1-CD2 3.07Å; Y149-L294 HydrophobicContact CE1-CD1 4.28Å; Y149-L294 HydrophobicContact CE1-CD2 2.37Å; Y149-L294 HydrophobicContact CE1-CG 3.73Å; Y149-L294 HydrophobicContact CE2-CD2 4.48Å; Y149-L294 HydrophobicContact CG-CD2 4.32Å; P290-L294 HydrophobicContact CG-CD2 3.96Å; P290-L294 HydrophobicContact CG-CG 4.33Å; G292-L294 PolarHBondContact O-N 2.91Å; L294-S296 PolarHBondContact O-N 3.1Å; L294-Q301 PolarHBondContact O-NE2 3.5Å; L294-Q301 PolarHBondContact O-OE1 2.51Å
295	P	46.8	Very low	62.1	Low	68 Å²	68	60.4 Å²	60.4	44%	0.442	34%	0.344	S	S	.	.			trans	-47	75	169.5	-3.8	8.5	0	0	0	111.4	L297	P295-L297 PolarHBondContact O-N 3.24Å
296	S	44.6	Very low	61.9	Low	57 Å²	57	59.2 Å²	59.2	40%	0.399	34%	0.339	S	S	.	.			trans	-35.8	92.4	176.7	95.7	0	0	0	0	111.2	L294 N298 G299	L294-S296 PolarHBondContact O-N 3.1Å; S296-N298 PolarHBondContact O-N 3.25Å; S296-G299 WeakPolarHBondContact OG-CA 3.48Å; S296-G299 PolarHBondContact OG-N 3.26Å; S296-G299 PolarHBondContact OG-O 3Å
297	L	44.9	Very low	61.9	Low	145 Å²	145	64.7 Å²	64.7	76%	0.759	36%	0.362	S	S	*	.	S	Bend	trans	-49.5	0	168.3	-160.5	80.8	0	0	0	110.6	P295	P295-L297 PolarHBondContact O-N 3.24Å
298	N	39.8	Very low	62	Low	160 Å²	160	64.3 Å²	64.3	86%	0.856	36%	0.359	S	S	*	.	S	Bend		0	0	0	-74.4	-23.5	0	0	0	110.4	S296	S296-N298 PolarHBondContact O-N 3.25Å
299	G	45.5	Very low	62.2	Low	36 Å²	36	67.7 Å²	67.7	37%	0.371	37%	0.374	S	S	.	.	S	Bend		0	0	0	0	0	0	0	0	109.8	S296 Q301	S296-G299 WeakPolarHBondContact OG-CA 3.48Å; S296-G299 PolarHBondContact OG-N 3.26Å; S296-G299 PolarHBondContact OG-O 3Å; G299-Q301 PolarHBondContact O-N 3Å
300	P	40.3	Very low	62.8	Low	103 Å²	103	66.2 Å²	66.2	67%	0.669	36%	0.363	S	S	*	.				0	0	0	15.3	0.9	0	0	0	111.8	R302 D303	P300-R302 PolarHBondContact O-N 3.36Å; P300-D303 WeakPolarHBondContact CB-OD2 3.01Å; P300-D303 PolarHBondContact O-N 2.99Å
301	Q	48.4	Very low	63.6	Low	47 Å²	47	69.9 Å²	69.9	22%	0.22	38%	0.379	C	S	.	.	G	3₁₀ helix		0	-9.5	0	-150.8	173	1.7	0	0	111.7	P293 L294 G299 D303 A304	P293-Q301 PolarHBondContact O-NE2 3.18Å; L294-Q301 PolarHBondContact O-NE2 3.5Å; L294-Q301 PolarHBondContact O-OE1 2.51Å; G299-Q301 PolarHBondContact O-N 3Å; Q301-D303 PolarHBondContact O-N 3.13Å; Q301-A304 PolarHBondContact O-N 3.33Å
302	R	49.6	Very low	65	Low	227 Å²	227	71.1 Å²	71.1	86%	0.857	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-73.5	0	171.3	-94.3	-174.9	-180	-172.1	-0.5	111.1	P300 A304	P300-R302 PolarHBondContact O-N 3.36Å; R302-A304 PolarHBondContact O-N 3.45Å
303	D	56.3	Low	66.8	Low	89 Å²	89	72.7 Å²	72.7	48%	0.476	39%	0.387	S	S	.	.	G	3₁₀ helix		0	0	0	-74.5	-22.6	0	0	0	110	P300 Q301 R322	P300-D303 WeakPolarHBondContact CB-OD2 3.01Å; P300-D303 PolarHBondContact O-N 2.99Å; Q301-D303 PolarHBondContact O-N 3.13Å; D303-R322 VanDerWaalsContact CB-NH1 3.27Å; D303-R322 WeakPolarHBondContact O-CD 3.39Å; D303-R322 CovalentContact O-CZ 1.43Å; D303-R322 PolarHBondContact O-NE 2.74Å; D303-R322 PolarHBondContact O-NH1 3.36Å; D303-R322 PolarHBondContact O-NH2 3.45Å
304	A	68.9	Low	68.8	Low	27 Å²	27	71.4 Å²	71.4	22%	0.223	38%	0.378	C	S	.	.	G	3₁₀ helix		0	4.8	0	0	0	0	0	0	110	Q301 R302 Q403	Q301-A304 PolarHBondContact O-N 3.33Å; R302-A304 PolarHBondContact O-N 3.45Å; A304-Q403 PolarHBondContact O-N 2.98Å
305	T	80.2	Confident	70.7	Confident	59 Å²	59	69.7 Å²	69.7	36%	0.362	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.3	-177.8	56.9	0	0	0	0	109.6	H401 R402	T305-H401 CarbonylContact C-O 2.98Å; T305-H401 VanDerWaalsContact C-O 3.31Å; T305-H401 WeakPolarHBondContact CA-O 3.1Å; T305-H401 VanDerWaalsContact CB-O 3.31Å; T305-H401 WeakPolarHBondContact CB-O 3.35Å; T305-R402 HydrophobicContact CG2-CB 4.08Å; T305-R402 HydrophobicContact CG2-CG 4.21Å
306	F	88.3	Confident	72.9	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167	173.9	58.9	-91.6	0	0	0	109.5	T308 D320 R322 A323 I326 F327 L381 I400 H401	F306-T308 HydrophobicContact CD2-CG2 4.13Å; F306-T308 HydrophobicContact CE2-CG2 4.09Å; F306-D320 HydrophobicContact CB-CB 4.13Å; F306-R322 HydrophobicContact CB-CB 4.11Å; F306-R322 HydrophobicContact CB-CG 4.45Å; F306-A323 HydrophobicContact CB-CB 4.15Å; F306-A323 HydrophobicContact CD2-CB 3.23Å; F306-A323 HydrophobicContact CE2-CB 3.67Å; F306-A323 HydrophobicContact CG-CB 3.76Å; F306-I326 HydrophobicContact CD1-CD1 3.73Å; F306-I326 HydrophobicContact CE1-CD1 3.77Å; F306-F327 HydrophobicContact CE1-CE2 4.27Å; F306-F327 AromaticContact CE2-CE2 3.72Å; F306-F327 HydrophobicContact CE2-CE2 3.72Å; F306-F327 HydrophobicContact CZ-CD2 4.48Å; F306-F327 AromaticContact CZ-CE2 3.38Å; F306-F327 HydrophobicContact CZ-CE2 3.38Å; F306-F327 AromaticContact CZ-CZ 3.96Å; F306-F327 HydrophobicContact CZ-CZ 3.96Å; F306-L381 HydrophobicContact CE1-CD2 3.89Å; F306-L381 HydrophobicContact CZ-CD1 4.31Å; F306-L381 HydrophobicContact CZ-CD2 3.71Å; F306-I400 CarbonylContact O-C 3.56Å; F306-H401 HydrophobicContact CD1-CB 4.15Å; F306-H401 HydrophobicContact CD2-CB 3.92Å; F306-H401 AromaticContact CD2-CD2 3.66Å; F306-H401 HydrophobicContact CE1-CB 3.71Å; F306-H401 HydrophobicContact CE2-CB 3.46Å; F306-H401 VanDerWaalsContact CE2-CB 3.46Å; F306-H401 AromaticContact CE2-CD2 3.27Å; F306-H401 WeakPolarHBondContact CE2-CD2 3.09Å; F306-H401 AromaticContact CE2-CG 3.47Å; F306-H401 VanDerWaalsContact CE2-CG 3.47Å; F306-H401 HydrophobicContact CG-CB 4.24Å; F306-H401 HydrophobicContact CZ-CB 3.34Å; F306-H401 AromaticContact CZ-CG 3.77Å; F306-H401 PolarHBondContact N-O 3.38Å; F306-H401 PolarHBondContact O-N 2.54Å
307	K	89	Confident	75	Confident	120 Å²	120	67.2 Å²	67.2	52%	0.522	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.7	-171.7	-69.6	-176.5	-177.4	178.2	0	109.7	D320 V399 I400	K307-D320 VanDerWaalsContact O-CB 3.3Å; K307-D320 WeakPolarHBondContact O-CB 3.46Å; K307-D320 PolarHBondContact O-N 2.84Å; K307-V399 CarbonylContact C-O 3.44Å; K307-V399 VanDerWaalsContact CA-O 3.24Å; K307-V399 WeakPolarHBondContact CA-O 3.08Å; K307-I400 HydrophobicContact CD-CG1 4.18Å; K307-I400 HydrophobicContact CG-CB 4.46Å; K307-I400 HydrophobicContact CG-CG1 3.75Å; K307-I400 HydrophobicContact CG-CG2 4.47Å
308	T	91.9	Very high	77.1	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.5	172.5	58.8	0	0	0	0	110.1	F306 H310 T318 I319 V399 H401	F306-T308 HydrophobicContact CD2-CG2 4.13Å; F306-T308 HydrophobicContact CE2-CG2 4.09Å; T308-H310 VanDerWaalsContact CB-NE2 3.34Å; T308-H310 WeakPolarHBondContact CB-NE2 3.48Å; T308-H310 PolarHBondContact OG1-CE1 2.99Å; T308-H310 VanDerWaalsContact OG1-CE1 3.31Å; T308-H310 PolarHBondContact OG1-NE2 3.39Å; T308-T318 WeakPolarHBondContact CA-O 3.49Å; T308-I319 HydrophobicContact CG2-CB 4.43Å; T308-I319 HydrophobicContact CG2-CG1 4.05Å; T308-I319 HydrophobicContact CG2-CG2 4.08Å; T308-V399 PolarHBondContact N-O 2.89Å; T308-V399 PolarHBondContact O-N 2.77Å; T308-V399 WeakPolarHBondContact OG1-CB 2.52Å; T308-H401 PolarHBondContact OG1-CD2 3.44Å; T308-H401 PolarHBondContact OG1-NE2 3.33Å
309	K	92.4	Very high	79.5	Confident	72 Å²	72	56.7 Å²	56.7	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	0	178.1	-176.3	177.5	178.1	177.3	0	109.3	V316 I317 T318 H396 I397	K309-V316 CarbonylContact O-C 3.56Å; K309-I317 HydrophobicContact CB-CB 4.32Å; K309-I317 HydrophobicContact CD-CB 4.47Å; K309-I317 HydrophobicContact CD-CG2 4.37Å; K309-I317 HydrophobicContact CG-CB 4.18Å; K309-I317 HydrophobicContact CG-CD1 4.18Å; K309-I317 WeakPolarHBondContact O-CA 2.88Å; K309-I317 WeakPolarHBondContact O-CB 3.18Å; K309-I317 PolarHBondContact O-N 2.93Å; K309-T318 WeakPolarHBondContact CB-OG1 3.1Å; K309-T318 PolarHBondContact N-O 3.28Å; K309-T318 PolarHBondContact O-N 3.03Å; K309-H396 WeakPolarHBondContact CE-CD2 2.73Å; K309-H396 HydrophobicContact CG-CB 4.47Å; K309-I397 CarbonylContact C-O 2.8Å; K309-I397 WeakPolarHBondContact CA-O 3.5Å
310	H	93.4	Very high	81.5	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)		0	156.7	0	-52.2	-77.6	0	0	0	110.5	T308 L314 T315 V316 V339 H396 I397 V399	T308-H310 VanDerWaalsContact CB-NE2 3.34Å; T308-H310 WeakPolarHBondContact CB-NE2 3.48Å; T308-H310 PolarHBondContact OG1-CE1 2.99Å; T308-H310 VanDerWaalsContact OG1-CE1 3.31Å; T308-H310 PolarHBondContact OG1-NE2 3.39Å; H310-L314 HydrophobicContact CB-CD2 4.34Å; H310-T315 CarbonylContact C-O 3.45Å; H310-T315 WeakPolarHBondContact CA-O 3.4Å; H310-T315 WeakPolarHBondContact CB-O 3.46Å; H310-V316 WeakPolarHBondContact ND1-CA 3.41Å; H310-V316 WeakPolarHBondContact ND1-CG2 3.42Å; H310-V339 WeakPolarHBondContact CE1-CG2 2.51Å; H310-V339 WeakPolarHBondContact ND1-CG2 3.06Å; H310-H396 WeakPolarHBondContact O-CA 3.07Å; H310-H396 WeakPolarHBondContact O-CB 3.03Å; H310-I397 HydrophobicContact CB-CB 4.22Å; H310-I397 PolarHBondContact N-O 3.25Å; H310-I397 PolarHBondContact O-N 2.84Å; H310-V399 WeakPolarHBondContact CD2-CG2 3.29Å
311	Q	93.8	Very high	83.7	Confident	97 Å²	97	55.9 Å²	55.9	45%	0.453	28%	0.283	S	S	.	.			trans	-73.6	174.4	167.8	-72.3	-174.3	14.2	0	0	110	D313 L314 T315 I317	Q311-D313 WeakPolarHBondContact CB-OD1 3.44Å; Q311-D313 PolarHBondContact O-N 3.05Å; Q311-D313 VanDerWaalsContact O-N 3.11Å; Q311-L314 WeakPolarHBondContact O-CA 3.06Å; Q311-L314 PolarHBondContact O-N 3.15Å; Q311-T315 PolarHBondContact N-O 2.5Å; Q311-I317 HydrophobicContact CB-CD1 4.41Å; Q311-I317 HydrophobicContact CG-CD1 3.56Å; Q311-I317 HydrophobicContact CG-CG1 3.67Å
312	L	93.7	Very high	85.5	Confident	57 Å²	57	57.4 Å²	57.4	30%	0.298	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19	-174.6	-65.8	179.6	0	0	0	110.6	H355 F359 L387 Q394 I397	L312-H355 PolarHBondContact O-CE1 3.14Å; L312-H355 PolarHBondContact O-NE2 3.39Å; L312-F359 HydrophobicContact CB-CE1 4.41Å; L312-F359 HydrophobicContact CB-CZ 4.15Å; L312-F359 HydrophobicContact CD2-CE1 3.97Å; L312-F359 HydrophobicContact CD2-CZ 4.32Å; L312-L387 HydrophobicContact CD2-CD1 3.45Å; L312-L387 VanDerWaalsContact CD2-CD1 3.45Å; L312-Q394 HydrophobicContact CD1-CB 3.92Å; L312-Q394 HydrophobicContact CD2-CB 4.01Å; L312-I397 HydrophobicContact CD2-CG1 4.24Å
313	D	92.8	Very high	87.3	Confident	63 Å²	63	46.6 Å²	46.6	34%	0.337	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0	179	60.6	-12.1	0	0	0	110.9	Q311 T315	Q311-D313 WeakPolarHBondContact CB-OD1 3.44Å; Q311-D313 PolarHBondContact O-N 3.05Å; Q311-D313 VanDerWaalsContact O-N 3.11Å; D313-T315 PolarHBondContact O-N 3.38Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 3.06Å; D313-T315 VanDerWaalsContact OD1-N 3.11Å; D313-T315 PolarHBondContact OD1-OG1 3.47Å; D313-T315 PolarHBondContact OD2-OG1 2.68Å
314	L	92.6	Very high	88.9	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.052	24%	0.241	C	C	.	.				0	18.9	0	-71.5	-176.8	0	0	0	110.9	H310 Q311 V339 Y340 H355 I397	H310-L314 HydrophobicContact CB-CD2 4.34Å; Q311-L314 WeakPolarHBondContact O-CA 3.06Å; Q311-L314 PolarHBondContact O-N 3.15Å; L314-V339 HydrophobicContact CB-CB 3.94Å; L314-V339 HydrophobicContact CB-CG2 4.03Å; L314-V339 HydrophobicContact CD1-CB 4.48Å; L314-V339 WeakPolarHBondContact O-CB 3.48Å; L314-V339 WeakPolarHBondContact O-CG2 3.42Å; L314-V339 PolarHBondContact O-N 3.27Å; L314-Y340 HydrophobicContact CB-CE2 4.44Å; L314-Y340 HydrophobicContact CD1-CD2 4.35Å; L314-Y340 HydrophobicContact CD1-CE1 4.44Å; L314-Y340 HydrophobicContact CD1-CE2 3.68Å; L314-Y340 HydrophobicContact CG-CE2 4.48Å; L314-H355 HydrophobicContact CD1-CB 4.18Å; L314-H355 WeakPolarHBondContact CD1-ND1 3.27Å; L314-I397 HydrophobicContact CD2-CD1 3.9Å
315	T	92.7	Very high	89.8	Confident	21 Å²	21	51.9 Å²	51.9	13%	0.129	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-66.6	131.3	165.2	-56.2	0	0	0	0	111	H310 Q311 D313 I317	H310-T315 CarbonylContact C-O 3.45Å; H310-T315 WeakPolarHBondContact CA-O 3.4Å; H310-T315 WeakPolarHBondContact CB-O 3.46Å; Q311-T315 PolarHBondContact N-O 2.5Å; D313-T315 PolarHBondContact O-N 3.38Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 3.06Å; D313-T315 VanDerWaalsContact OD1-N 3.11Å; D313-T315 PolarHBondContact OD1-OG1 3.47Å; D313-T315 PolarHBondContact OD2-OG1 2.68Å; T315-I317 PolarHBondContact O-N 2.73Å
316	V	91.6	Very high	90.2	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.8	-172.3	179.7	0	0	0	0	109	K309 H310 I319 L334 V339	K309-V316 CarbonylContact O-C 3.56Å; H310-V316 WeakPolarHBondContact ND1-CA 3.41Å; H310-V316 WeakPolarHBondContact ND1-CG2 3.42Å; V316-I319 HydrophobicContact CG1-CD1 3.57Å; V316-I319 HydrophobicContact CG1-CG1 3.36Å; V316-L334 HydrophobicContact CB-CB 4.41Å; V316-L334 HydrophobicContact CG1-CB 4.22Å; V316-L334 HydrophobicContact CG1-CD1 4.4Å; V316-V339 HydrophobicContact CG2-CG2 3.68Å
317	I	90	Very high	90.3	Very high	69 Å²	69	50.7 Å²	50.7	35%	0.354	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-51.4	-179.9	-64.1	173.1	0	0	0	108.6	K309 Q311 T315 H396	K309-I317 HydrophobicContact CB-CB 4.32Å; K309-I317 HydrophobicContact CD-CB 4.47Å; K309-I317 HydrophobicContact CD-CG2 4.37Å; K309-I317 HydrophobicContact CG-CB 4.18Å; K309-I317 HydrophobicContact CG-CD1 4.18Å; K309-I317 WeakPolarHBondContact O-CA 2.88Å; K309-I317 WeakPolarHBondContact O-CB 3.18Å; K309-I317 PolarHBondContact O-N 2.93Å; Q311-I317 HydrophobicContact CB-CD1 4.41Å; Q311-I317 HydrophobicContact CG-CD1 3.56Å; Q311-I317 HydrophobicContact CG-CG1 3.67Å; T315-I317 PolarHBondContact O-N 2.73Å; I317-H396 HydrophobicContact CD1-CB 4.45Å
318	T	88.8	Confident	90.3	Very high	74 Å²	74	48 Å²	48	45%	0.454	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.7	-178.9	59.5	0	0	0	0	108.8	T308 K309	T308-T318 WeakPolarHBondContact CA-O 3.49Å; K309-T318 WeakPolarHBondContact CB-OG1 3.1Å; K309-T318 PolarHBondContact N-O 3.28Å; K309-T318 PolarHBondContact O-N 3.03Å
319	I	89.8	Confident	90	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143	174.9	-64.2	172.7	0	0	0	108.6	T308 V316 A323 R324 L334	T308-I319 HydrophobicContact CG2-CB 4.43Å; T308-I319 HydrophobicContact CG2-CG1 4.05Å; T308-I319 HydrophobicContact CG2-CG2 4.08Å; V316-I319 HydrophobicContact CG1-CD1 3.57Å; V316-I319 HydrophobicContact CG1-CG1 3.36Å; I319-A323 HydrophobicContact CB-CB 4.18Å; I319-A323 HydrophobicContact CG2-CB 2.63Å; I319-R324 HydrophobicContact CG2-CG 4.47Å; I319-R324 PolarHBondContact O-NH1 3.21Å; I319-L334 HydrophobicContact CB-CD1 3.74Å; I319-L334 HydrophobicContact CD1-CB 4.01Å; I319-L334 HydrophobicContact CD1-CD1 2.21Å; I319-L334 HydrophobicContact CD1-CD2 3.07Å; I319-L334 HydrophobicContact CD1-CG 3.15Å; I319-L334 HydrophobicContact CG1-CD1 3.2Å; I319-L334 HydrophobicContact CG1-CG 4.39Å
320	D	87.5	Confident	89.6	Confident	74 Å²	74	47.9 Å²	47.9	40%	0.396	25%	0.25	S	C	.	.			trans	-64.9	156.8	179.9	-165.3	10.4	0	0	0	110.6	F306 K307 R322 A323 R324	F306-D320 HydrophobicContact CB-CB 4.13Å; K307-D320 VanDerWaalsContact O-CB 3.3Å; K307-D320 WeakPolarHBondContact O-CB 3.46Å; K307-D320 PolarHBondContact O-N 2.84Å; D320-R322 PolarHBondContact O-N 3.01Å; D320-A323 WeakPolarHBondContact O-CB 3.33Å; D320-A323 PolarHBondContact O-N 2.73Å; D320-A323 VanDerWaalsContact O-N 3.13Å; D320-R324 PolarHBondContact O-N 2.97Å; D320-R324 VanDerWaalsContact O-N 3.09Å
321	A	86.9	Confident	89	Confident	49 Å²	49	51.7 Å²	51.7	41%	0.405	27%	0.27	S	S	.	.	H	α-helix	trans	-57.3	-34.4	-176.7	0	0	0	0	0	111.2	A323 R324 L325	A321-A323 VanDerWaalsContact C-N 3.33Å; A321-R324 VanDerWaalsContact O-CB 3.28Å; A321-R324 WeakPolarHBondContact O-CB 3.45Å; A321-R324 PolarHBondContact O-N 2.72Å; A321-L325 WeakPolarHBondContact O-CG 3.37Å; A321-L325 PolarHBondContact O-N 2.96Å; A321-L325 VanDerWaalsContact O-N 3.13Å
322	R	85.8	Confident	88.3	Confident	79 Å²	79	50.5 Å²	50.5	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-71.2	-43.5	-179.3	-177.2	173.4	173	113.1	-2.8	110.7	D303 F306 D320 R324 L325 I326	D303-R322 VanDerWaalsContact CB-NH1 3.27Å; D303-R322 WeakPolarHBondContact O-CD 3.39Å; D303-R322 CovalentContact O-CZ 1.43Å; D303-R322 PolarHBondContact O-NE 2.74Å; D303-R322 PolarHBondContact O-NH1 3.36Å; D303-R322 PolarHBondContact O-NH2 3.45Å; F306-R322 HydrophobicContact CB-CB 4.11Å; F306-R322 HydrophobicContact CB-CG 4.45Å; D320-R322 PolarHBondContact O-N 3.01Å; R322-R324 PolarHBondContact O-N 2.95Å; R322-L325 WeakPolarHBondContact O-CA 3.17Å; R322-L325 VanDerWaalsContact O-CB 3.29Å; R322-L325 WeakPolarHBondContact O-CB 3Å; R322-L325 PolarHBondContact O-N 2.86Å; R322-I326 HydrophobicContact CG-CD1 3.9Å; R322-I326 HydrophobicContact CG-CG1 4.32Å; R322-I326 VanDerWaalsContact O-CG1 3.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.28Å; R322-I326 PolarHBondContact O-N 3.25Å
323	A	88.1	Confident	87.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-32.3	177.7	0	0	0	0	0	111.4	F306 I319 D320 A321 L325 I326 F327	F306-A323 HydrophobicContact CB-CB 4.15Å; F306-A323 HydrophobicContact CD2-CB 3.23Å; F306-A323 HydrophobicContact CE2-CB 3.67Å; F306-A323 HydrophobicContact CG-CB 3.76Å; I319-A323 HydrophobicContact CB-CB 4.18Å; I319-A323 HydrophobicContact CG2-CB 2.63Å; D320-A323 WeakPolarHBondContact O-CB 3.33Å; D320-A323 PolarHBondContact O-N 2.73Å; D320-A323 VanDerWaalsContact O-N 3.13Å; A321-A323 VanDerWaalsContact C-N 3.33Å; A323-L325 PolarHBondContact O-N 3.36Å; A323-I326 PolarHBondContact O-N 3.21Å; A323-I326 VanDerWaalsContact O-N 3.17Å; A323-F327 HydrophobicContact CB-CD2 4.34Å; A323-F327 VanDerWaalsContact O-CD2 3.24Å; A323-F327 WeakPolarHBondContact O-CD2 3.05Å; A323-F327 PolarHBondContact O-N 3.21Å
324	R	88.3	Confident	87	Confident	94 Å²	94	47.2 Å²	47.2	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-67.3	-32.2	178.4	-79.6	-169	-77.3	-95.1	-0.9	110.8	I319 D320 A321 R322 I326 N328 D331	I319-R324 HydrophobicContact CG2-CG 4.47Å; I319-R324 PolarHBondContact O-NH1 3.21Å; D320-R324 PolarHBondContact O-N 2.97Å; D320-R324 VanDerWaalsContact O-N 3.09Å; A321-R324 VanDerWaalsContact O-CB 3.28Å; A321-R324 WeakPolarHBondContact O-CB 3.45Å; A321-R324 PolarHBondContact O-N 2.72Å; R322-R324 PolarHBondContact O-N 2.95Å; R324-I326 VanDerWaalsContact C-N 3.31Å; R324-N328 WeakPolarHBondContact O-CA 3.41Å; R324-N328 PolarHBondContact O-N 3.5Å; R324-D331 IonicContact NH1-OD1 3.82Å; R324-D331 PolarHBondContact NH1-OD1 3.35Å; R324-D331 IonicContact NH1-OD2 2.91Å
325	L	88.6	Confident	86.1	Confident	133 Å²	133	53.1 Å²	53.1	70%	0.696	28%	0.283	S	S	*	.	H	α-helix	trans	-76	-33.3	179.8	-72	171.3	0	0	0	110.7	A321 R322 A323 N328	A321-L325 WeakPolarHBondContact O-CG 3.37Å; A321-L325 PolarHBondContact O-N 2.96Å; A321-L325 VanDerWaalsContact O-N 3.13Å; R322-L325 WeakPolarHBondContact O-CA 3.17Å; R322-L325 VanDerWaalsContact O-CB 3.29Å; R322-L325 WeakPolarHBondContact O-CB 3Å; R322-L325 PolarHBondContact O-N 2.86Å; A323-L325 PolarHBondContact O-N 3.36Å; L325-N328 PolarHBondContact O-OD1 3.27Å
326	I	88.6	Confident	85.2	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-78.8	-35.3	-174.1	-68.5	174.4	0	0	0	109.2	F306 R322 A323 R324 I379	F306-I326 HydrophobicContact CD1-CD1 3.73Å; F306-I326 HydrophobicContact CE1-CD1 3.77Å; R322-I326 HydrophobicContact CG-CD1 3.9Å; R322-I326 HydrophobicContact CG-CG1 4.32Å; R322-I326 VanDerWaalsContact O-CG1 3.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.28Å; R322-I326 PolarHBondContact O-N 3.25Å; A323-I326 PolarHBondContact O-N 3.21Å; A323-I326 VanDerWaalsContact O-N 3.17Å; R324-I326 VanDerWaalsContact C-N 3.31Å; I326-I379 HydrophobicContact CG2-CD1 3.32Å; I326-I379 HydrophobicContact CG2-CG2 4.34Å
327	F	90.2	Very high	84.7	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-104	-20.3	-171	-74.1	-75.6	0	0	0	109.8	F306 A323 Y329 W371 N373 K374 I379 L381	F306-F327 HydrophobicContact CE1-CE2 4.27Å; F306-F327 AromaticContact CE2-CE2 3.72Å; F306-F327 HydrophobicContact CE2-CE2 3.72Å; F306-F327 HydrophobicContact CZ-CD2 4.48Å; F306-F327 AromaticContact CZ-CE2 3.38Å; F306-F327 HydrophobicContact CZ-CE2 3.38Å; F306-F327 AromaticContact CZ-CZ 3.96Å; F306-F327 HydrophobicContact CZ-CZ 3.96Å; A323-F327 HydrophobicContact CB-CD2 4.34Å; A323-F327 VanDerWaalsContact O-CD2 3.24Å; A323-F327 WeakPolarHBondContact O-CD2 3.05Å; A323-F327 PolarHBondContact O-N 3.21Å; F327-Y329 HydrophobicContact CB-CD2 3.42Å; F327-Y329 VanDerWaalsContact CB-CD2 3.42Å; F327-Y329 HydrophobicContact CB-CE2 3.88Å; F327-Y329 HydrophobicContact CB-CG 4.39Å; F327-Y329 HydrophobicContact CD1-CE2 4.36Å; F327-Y329 HydrophobicContact CG-CD2 4.31Å; F327-Y329 HydrophobicContact CG-CE2 4.49Å; F327-Y329 PolarHBondContact O-N 1.67Å; F327-W371 HydrophobicContact CD1-CB 4.29Å; F327-W371 HydrophobicContact CD1-CE3 4.44Å; F327-W371 HydrophobicContact CE1-CB 3.24Å; F327-W371 HydrophobicContact CE1-CD2 4.25Å; F327-W371 AromaticContact CE1-CE3 3.71Å; F327-W371 HydrophobicContact CE1-CE3 3.71Å; F327-W371 HydrophobicContact CE1-CG 4.16Å; F327-W371 AromaticContact CE2-CE3 3.82Å; F327-W371 HydrophobicContact CE2-CE3 3.82Å; F327-W371 HydrophobicContact CE2-CZ3 4.29Å; F327-W371 HydrophobicContact CZ-CB 3.73Å; F327-W371 HydrophobicContact CZ-CD2 4.03Å; F327-W371 AromaticContact CZ-CE3 3.35Å; F327-W371 HydrophobicContact CZ-CE3 3.35Å; F327-W371 HydrophobicContact CZ-CG 4.23Å; F327-W371 HydrophobicContact CZ-CZ3 4.24Å; F327-N373 HydrophobicContact CD1-CB 4.18Å; F327-K374 WeakPolarHBondContact O-CB 3.49Å; F327-K374 PolarHBondContact O-N 1.83Å; F327-I379 HydrophobicContact CD1-CD1 4.07Å; F327-I379 HydrophobicContact CE1-CB 4.35Å; F327-I379 HydrophobicContact CE1-CD1 4.01Å; F327-L381 HydrophobicContact CE1-CD1 4.27Å; F327-L381 HydrophobicContact CE2-CD1 4.39Å; F327-L381 HydrophobicContact CZ-CD1 3.46Å; F327-L381 VanDerWaalsContact CZ-CD1 3.46Å; F327-L381 HydrophobicContact CZ-CD2 4.23Å; F327-L381 HydrophobicContact CZ-CG 4.32Å
328	N	88.3	Confident	84.7	Confident	64 Å²	64	63.1 Å²	63.1	34%	0.342	33%	0.328	S	S	.	.			trans	65.2	25.4	176.5	-75.9	-12	0	0	0	111.7	R324 L325 K374 Q375	R324-N328 WeakPolarHBondContact O-CA 3.41Å; R324-N328 PolarHBondContact O-N 3.5Å; L325-N328 PolarHBondContact O-OD1 3.27Å; N328-K374 HydrophobicContact CB-CB 3.89Å; N328-K374 WeakPolarHBondContact O-CD 3.29Å; N328-Q375 PolarHBondContact ND2-NE2 3.35Å
329	Y	87.2	Confident	84.9	Confident	26 Å²	26	60 Å²	60	10%	0.102	31%	0.308	C	S	.	.			trans	-93.6	136.4	172.7	-70.4	-63	0	0	0	110	F327 D333 L334 L342 L372 N373 K374	F327-Y329 HydrophobicContact CB-CD2 3.42Å; F327-Y329 VanDerWaalsContact CB-CD2 3.42Å; F327-Y329 HydrophobicContact CB-CE2 3.88Å; F327-Y329 HydrophobicContact CB-CG 4.39Å; F327-Y329 HydrophobicContact CD1-CE2 4.36Å; F327-Y329 HydrophobicContact CG-CD2 4.31Å; F327-Y329 HydrophobicContact CG-CE2 4.49Å; F327-Y329 PolarHBondContact O-N 1.67Å; Y329-D333 HydrophobicContact CD1-CB 4.27Å; Y329-L334 HydrophobicContact CD2-CD2 4.1Å; Y329-L334 HydrophobicContact CG-CD2 4.07Å; Y329-L342 HydrophobicContact CE2-CD2 3.92Å; Y329-L372 WeakPolarHBondContact CE2-O 3.44Å; Y329-L372 PolarHBondContact OH-O 2.79Å; Y329-N373 VanDerWaalsContact OH-C 3.26Å; Y329-N373 PolarHBondContact OH-O 2.37Å; Y329-K374 HydrophobicContact CD1-CB 4.21Å; Y329-K374 HydrophobicContact CD1-CG 4.49Å; Y329-K374 HydrophobicContact CE1-CB 3.97Å; Y329-K374 HydrophobicContact CE1-CG 4.3Å
330	S	83.1	Confident	85.2	Confident	46 Å²	46	62.7 Å²	62.7	32%	0.322	32%	0.318	S	S	.	.			trans	-77.7	156.8	173.2	66.9	0	0	0	0	111.3	S332 D333 L334	S330-S332 PolarHBondContact O-N 3.47Å; S330-S332 VanDerWaalsContact O-N 3.11Å; S330-S332 PolarHBondContact OG-OG 3.46Å; S330-D333 PolarHBondContact N-OD2 2.84Å; S330-D333 WeakPolarHBondContact O-CB 3.38Å; S330-D333 PolarHBondContact O-N 3.37Å; S330-D333 PolarHBondContact OG-N 2.44Å; S330-D333 PolarHBondContact OG-OD1 3.01Å; S330-D333 PolarHBondContact OG-OD2 3.03Å; S330-L334 WeakPolarHBondContact O-CG 3.36Å; S330-L334 PolarHBondContact O-N 2.29Å; S330-L334 VanDerWaalsContact O-N 3.14Å
331	D	80.1	Confident	85.4	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	32%	0.324	S	S	.	.	H	α-helix	trans	-53.6	-29.9	179.1	-73.7	-22.4	0	0	0	110.9	R324 D333 L334 Q335	R324-D331 IonicContact NH1-OD1 3.82Å; R324-D331 PolarHBondContact NH1-OD1 3.35Å; R324-D331 IonicContact NH1-OD2 2.91Å; D331-D333 PolarHBondContact O-N 3.27Å; D331-L334 PolarHBondContact O-N 3.29Å; D331-Q335 WeakPolarHBondContact O-CG 2.99Å; D331-Q335 PolarHBondContact O-N 2.57Å
332	S	80	Confident	85.7	Confident	73 Å²	73	61.7 Å²	61.7	51%	0.51	31%	0.306	S	S	.	.	H	α-helix	trans	-73.5	-30.8	-179.4	56.4	0	0	0	0	111	S330 L334	S330-S332 PolarHBondContact O-N 3.47Å; S330-S332 VanDerWaalsContact O-N 3.11Å; S330-S332 PolarHBondContact OG-OG 3.46Å; S332-L334 PolarHBondContact O-N 2.35Å
333	D	83.7	Confident	86.1	Confident	44 Å²	44	58.2 Å²	58.2	24%	0.235	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-32.8	-179.6	-68.3	-24.5	0	0	0	110.8	Y329 S330 D331 Q335 N336 F337 K374	Y329-D333 HydrophobicContact CD1-CB 4.27Å; S330-D333 PolarHBondContact N-OD2 2.84Å; S330-D333 WeakPolarHBondContact O-CB 3.38Å; S330-D333 PolarHBondContact O-N 3.37Å; S330-D333 PolarHBondContact OG-N 2.44Å; S330-D333 PolarHBondContact OG-OD1 3.01Å; S330-D333 PolarHBondContact OG-OD2 3.03Å; D331-D333 PolarHBondContact O-N 3.27Å; D333-Q335 PolarHBondContact O-N 3.45Å; D333-N336 PolarHBondContact O-N 3.46Å; D333-F337 HydrophobicContact CB-CE2 4.1Å; D333-F337 WeakPolarHBondContact O-CD2 3.41Å; D333-F337 WeakPolarHBondContact O-CE2 3.25Å; D333-K374 IonicContact OD2-NZ 3.03Å
334	L	76.2	Confident	86.4	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-78.2	-21.8	-171.5	-71.3	171.2	0	0	0	110.9	V316 I319 Y329 S330 D331 S332 N336 F337	V316-L334 HydrophobicContact CB-CB 4.41Å; V316-L334 HydrophobicContact CG1-CB 4.22Å; V316-L334 HydrophobicContact CG1-CD1 4.4Å; I319-L334 HydrophobicContact CB-CD1 3.74Å; I319-L334 HydrophobicContact CD1-CB 4.01Å; I319-L334 HydrophobicContact CD1-CD1 2.21Å; I319-L334 HydrophobicContact CD1-CD2 3.07Å; I319-L334 HydrophobicContact CD1-CG 3.15Å; I319-L334 HydrophobicContact CG1-CD1 3.2Å; I319-L334 HydrophobicContact CG1-CG 4.39Å; Y329-L334 HydrophobicContact CD2-CD2 4.1Å; Y329-L334 HydrophobicContact CG-CD2 4.07Å; S330-L334 WeakPolarHBondContact O-CG 3.36Å; S330-L334 PolarHBondContact O-N 2.29Å; S330-L334 VanDerWaalsContact O-N 3.14Å; D331-L334 PolarHBondContact O-N 3.29Å; S332-L334 PolarHBondContact O-N 2.35Å; L334-N336 PolarHBondContact O-N 2.79Å; L334-F337 PolarHBondContact O-N 3.48Å
335	Q	72.9	Confident	86.7	Confident	135 Å²	135	59 Å²	59	63%	0.631	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.1	-177.5	-75	-179.1	18.3	0	0	110.5	D331 D333	D331-Q335 WeakPolarHBondContact O-CG 2.99Å; D331-Q335 PolarHBondContact O-N 2.57Å; D333-Q335 PolarHBondContact O-N 3.45Å
336	N	73.2	Confident	86.9	Confident	130 Å²	130	58.4 Å²	58.4	70%	0.695	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	0	-178.6	-70.8	-24.7	0	0	0	110.8	D333 L334	D333-N336 PolarHBondContact O-N 3.46Å; L334-N336 PolarHBondContact O-N 2.79Å
337	F	81.2	Confident	87.1	Confident	71 Å²	71	57.1 Å²	57.1	31%	0.311	30%	0.3	S	S	.	.				0	134.4	0	-72.1	-65.7	0	0	0	109.7	D333 L334 D341	D333-F337 HydrophobicContact CB-CE2 4.1Å; D333-F337 WeakPolarHBondContact O-CD2 3.41Å; D333-F337 WeakPolarHBondContact O-CE2 3.25Å; L334-F337 PolarHBondContact O-N 3.48Å; F337-D341 HydrophobicContact CD1-CB 4.07Å
338	K	91.3	Very high	87.2	Confident	102 Å²	102	59.9 Å²	59.9	44%	0.443	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-83.6	146.9	163.7	-64.2	-177.3	-179.1	-177.1	0	110.8	Y340 D341	K338-Y340 PolarHBondContact O-N 2.7Å; K338-D341 PolarHBondContact N-OD2 2.64Å; K338-D341 WeakPolarHBondContact O-CA 3.22Å; K338-D341 VanDerWaalsContact O-CB 3.22Å; K338-D341 WeakPolarHBondContact O-CB 3.45Å; K338-D341 PolarHBondContact O-N 3.35Å
339	V	92.5	Very high	87.3	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-53	-31.2	-176.9	171.1	0	0	0	0	109.1	H310 L314 V316 D341 L342 V343 W371	H310-V339 WeakPolarHBondContact CE1-CG2 2.51Å; H310-V339 WeakPolarHBondContact ND1-CG2 3.06Å; L314-V339 HydrophobicContact CB-CB 3.94Å; L314-V339 HydrophobicContact CB-CG2 4.03Å; L314-V339 HydrophobicContact CD1-CB 4.48Å; L314-V339 WeakPolarHBondContact O-CB 3.48Å; L314-V339 WeakPolarHBondContact O-CG2 3.42Å; L314-V339 PolarHBondContact O-N 3.27Å; V316-V339 HydrophobicContact CG2-CG2 3.68Å; V339-D341 PolarHBondContact O-N 2.72Å; V339-L342 WeakPolarHBondContact O-CB 3.21Å; V339-L342 PolarHBondContact O-N 3.44Å; V339-V343 HydrophobicContact CG1-CG2 3.81Å; V339-V343 WeakPolarHBondContact O-CG2 3.15Å; V339-V343 PolarHBondContact O-N 3.35Å; V339-W371 HydrophobicContact CB-CZ2 4.49Å; V339-W371 HydrophobicContact CG1-CH2 4.29Å; V339-W371 HydrophobicContact CG1-CZ2 3.47Å; V339-W371 VanDerWaalsContact CG1-CZ2 3.47Å; V339-W371 HydrophobicContact CG2-CH2 4.35Å; V339-W371 HydrophobicContact CG2-CZ2 4.3Å
340	Y	94.8	Very high	87.4	Confident	67 Å²	67	69.6 Å²	69.6	26%	0.263	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-25.6	-179.7	-74.9	-69.4	0	0	0	110.9	L314 K338 L342 V343 L348 V351 A352 H355	L314-Y340 HydrophobicContact CB-CE2 4.44Å; L314-Y340 HydrophobicContact CD1-CD2 4.35Å; L314-Y340 HydrophobicContact CD1-CE1 4.44Å; L314-Y340 HydrophobicContact CD1-CE2 3.68Å; L314-Y340 HydrophobicContact CG-CE2 4.48Å; K338-Y340 PolarHBondContact O-N 2.7Å; Y340-L342 PolarHBondContact O-N 3.34Å; Y340-V343 PolarHBondContact O-N 2.47Å; Y340-L348 HydrophobicContact CD1-CD2 4Å; Y340-L348 WeakPolarHBondContact O-CD2 2.49Å; Y340-V351 HydrophobicContact CE1-CG1 4.32Å; Y340-A352 HydrophobicContact CE1-CB 4.21Å; Y340-H355 AromaticContact CE2-ND1 3.89Å; Y340-H355 AromaticContact CZ-ND1 3.65Å; Y340-H355 WeakPolarHBondContact OH-CB 3.32Å; Y340-H355 PolarHBondContact OH-ND1 2.87Å
341	D	92.1	Very high	87.8	Confident	97 Å²	97	67.7 Å²	67.7	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-75.8	-17.1	179.8	-63.5	-35.7	0	0	0	111.2	F337 K338 V339	F337-D341 HydrophobicContact CD1-CB 4.07Å; K338-D341 PolarHBondContact N-OD2 2.64Å; K338-D341 WeakPolarHBondContact O-CA 3.22Å; K338-D341 VanDerWaalsContact O-CB 3.22Å; K338-D341 WeakPolarHBondContact O-CB 3.45Å; K338-D341 PolarHBondContact O-N 3.35Å; V339-D341 PolarHBondContact O-N 2.72Å
342	L	92.8	Very high	88.4	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-101.7	-13	-175.4	-59.8	174.6	0	0	0	110.2	Y329 V339 Y340 W371 L372	Y329-L342 HydrophobicContact CE2-CD2 3.92Å; V339-L342 WeakPolarHBondContact O-CB 3.21Å; V339-L342 PolarHBondContact O-N 3.44Å; Y340-L342 PolarHBondContact O-N 3.34Å; L342-W371 HydrophobicContact CB-CG 4.47Å; L342-W371 HydrophobicContact CD1-CE3 4.26Å; L342-W371 HydrophobicContact CD1-CZ3 4.37Å; L342-W371 CarbonylContact O-C 3.58Å; L342-W371 WeakPolarHBondContact O-CA 3.11Å; L342-L372 PolarHBondContact O-N 2.72Å
343	V	94.6	Very high	88.7	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.042	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-85.6	140.8	-171.4	173	0	0	0	0	108.2	V339 Y340 D347 L348 V351 R370	V339-V343 HydrophobicContact CG1-CG2 3.81Å; V339-V343 WeakPolarHBondContact O-CG2 3.15Å; V339-V343 PolarHBondContact O-N 3.35Å; Y340-V343 PolarHBondContact O-N 2.47Å; V343-D347 HydrophobicContact CG1-CB 3.73Å; V343-L348 HydrophobicContact CB-CD2 4.03Å; V343-L348 HydrophobicContact CG1-CD2 4.22Å; V343-V351 HydrophobicContact CG1-CG2 3.89Å; V343-V351 HydrophobicContact CG2-CG2 4.49Å; V343-R370 CarbonylContact C-O 3.37Å; V343-R370 VanDerWaalsContact CA-O 3.3Å; V343-R370 WeakPolarHBondContact CA-O 3.4Å
344	H	95.3	Very high	88.8	Confident	28 Å²	28	65 Å²	65	13%	0.13	32%	0.317	C	S	.	.			trans	-56.1	141.7	175.3	-168.4	-77.7	0	0	0	111.3	D346 D347 L348 R370 W378	H344-D346 IonicContact CE1-OD1 3.48Å; H344-D346 IonicContact CE1-OD2 1.09Å; H344-D346 PolarHBondContact CE1-OD2 3.47Å; H344-D346 VanDerWaalsContact ND1-CB 3.32Å; H344-D346 WeakPolarHBondContact ND1-CB 2.79Å; H344-D346 PolarHBondContact ND1-N 2.94Å; H344-D346 IonicContact ND1-OD2 3.09Å; H344-D346 PolarHBondContact O-N 2.77Å; H344-D346 VanDerWaalsContact O-N 3.17Å; H344-D347 HydrophobicContact CB-CB 4.43Å; H344-D347 PolarHBondContact O-N 2.99Å; H344-L348 PolarHBondContact O-N 2.91Å; H344-R370 HydrophobicContact CB-CB 3.9Å; H344-R370 PolarHBondContact N-O 2.97Å; H344-W378 HydrophobicContact CB-CD2 4.49Å; H344-W378 HydrophobicContact CB-CE3 3.91Å; H344-W378 HydrophobicContact CB-CH2 3.97Å; H344-W378 HydrophobicContact CB-CZ3 3.61Å; H344-W378 AromaticContact CD2-CD2 3.63Å; H344-W378 AromaticContact CD2-CE2 3.38Å; H344-W378 AromaticContact CD2-CE3 3.95Å; H344-W378 AromaticContact CD2-CH2 3.81Å; H344-W378 AromaticContact CD2-CZ2 3.5Å; H344-W378 VanDerWaalsContact CD2-CZ2 3.5Å; H344-W378 WeakPolarHBondContact CD2-CZ2 3.06Å; H344-W378 AromaticContact CD2-NE1 3.86Å
345	P	94.3	Very high	89.5	Confident	81 Å²	81	65.7 Å²	65.7	53%	0.526	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-59.9	-30.3	-175.7	-23.4	28.2	0	0	0	111.5	D347 L348	P345-D347 PolarHBondContact O-N 2.43Å; P345-L348 HydrophobicContact CB-CD1 4.39Å; P345-L348 PolarHBondContact O-N 3.44Å
346	D	92.7	Very high	90.2	Very high	121 Å²	121	65.9 Å²	65.9	65%	0.647	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-73.4	-16.1	179.6	-69.6	-14.8	0	0	0	111.6	H344	H344-D346 IonicContact CE1-OD1 3.48Å; H344-D346 IonicContact CE1-OD2 1.09Å; H344-D346 PolarHBondContact CE1-OD2 3.47Å; H344-D346 VanDerWaalsContact ND1-CB 3.32Å; H344-D346 WeakPolarHBondContact ND1-CB 2.79Å; H344-D346 PolarHBondContact ND1-N 2.94Å; H344-D346 IonicContact ND1-OD2 3.09Å; H344-D346 PolarHBondContact O-N 2.77Å; H344-D346 VanDerWaalsContact O-N 3.17Å
347	D	93.2	Very high	90.3	Very high	2 Å²	2	62 Å²	62	1%	0.011	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-105	1	-176.4	-62	-29.6	0	0	0	110.5	V343 H344 P345 R349 Y350 V351 H369 R370 R416	V343-D347 HydrophobicContact CG1-CB 3.73Å; H344-D347 HydrophobicContact CB-CB 4.43Å; H344-D347 PolarHBondContact O-N 2.99Å; P345-D347 PolarHBondContact O-N 2.43Å; D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 2.98Å; D347-Y350 WeakPolarHBondContact O-CB 3.13Å; D347-Y350 PolarHBondContact O-N 3.17Å; D347-Y350 VanDerWaalsContact O-N 3.15Å; D347-V351 WeakPolarHBondContact O-CG2 3.24Å; D347-V351 PolarHBondContact O-N 3.22Å; D347-H369 HydrophobicContact CB-CB 4.17Å; D347-R370 IonicContact OD1-CZ 2.91Å; D347-R370 IonicContact OD1-NE 1.78Å; D347-R370 IonicContact OD1-NH2 3.66Å; D347-R370 PolarHBondContact OD1-NH2 2.83Å; D347-R370 IonicContact OD2-CZ 3.17Å; D347-R370 PolarHBondContact OD2-N 2.99Å; D347-R370 VanDerWaalsContact OD2-N 3.09Å; D347-R370 IonicContact OD2-NE 3.91Å; D347-R370 PolarHBondContact OD2-NE 3.1Å; D347-R370 IonicContact OD2-NH2 3.81Å; D347-R370 PolarHBondContact OD2-NH2 3.47Å; D347-R416 IonicContact OD1-NH1 2.89Å
348	L	92.3	Very high	90.3	Very high	63 Å²	63	58.7 Å²	58.7	33%	0.33	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-42.4	-170.9	-81.3	171.8	0	0	0	110.1	Y340 V343 H344 P345 Y350 V351 A352	Y340-L348 HydrophobicContact CD1-CD2 4Å; Y340-L348 WeakPolarHBondContact O-CD2 2.49Å; V343-L348 HydrophobicContact CB-CD2 4.03Å; V343-L348 HydrophobicContact CG1-CD2 4.22Å; H344-L348 PolarHBondContact O-N 2.91Å; P345-L348 HydrophobicContact CB-CD1 4.39Å; P345-L348 PolarHBondContact O-N 3.44Å; L348-Y350 PolarHBondContact O-N 3.1Å; L348-V351 PolarHBondContact O-N 3.41Å; L348-A352 VanDerWaalsContact O-CB 3.26Å; L348-A352 WeakPolarHBondContact O-CB 3.07Å; L348-A352 PolarHBondContact O-N 3.03Å
349	R	90.7	Very high	90	Very high	227 Å²	227	57 Å²	57	86%	0.857	28%	0.275	S	S	*	.	H	α-helix	trans	-66.4	-38.4	-178.6	-73.7	-175.5	-176.7	-175	-1	110.7	D347 V351 A352 K353	D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 2.98Å; R349-V351 VanDerWaalsContact C-N 3.34Å; R349-A352 PolarHBondContact O-N 3.29Å; R349-K353 WeakPolarHBondContact O-CB 2.86Å; R349-K353 PolarHBondContact O-N 3.08Å
350	Y	89.1	Confident	89.2	Confident	68 Å²	68	62.7 Å²	62.7	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-65.6	-44.9	-179.7	179.1	-118.5	0	0	0	111.1	D347 L348 A352 K353 G354 L367 V368 R416	D347-Y350 WeakPolarHBondContact O-CB 3.13Å; D347-Y350 PolarHBondContact O-N 3.17Å; D347-Y350 VanDerWaalsContact O-N 3.15Å; L348-Y350 PolarHBondContact O-N 3.1Å; Y350-A352 VanDerWaalsContact C-N 3.3Å; Y350-A352 PolarHBondContact O-N 3.27Å; Y350-K353 PolarHBondContact O-N 3.11Å; Y350-G354 PolarHBondContact O-N 3.24Å; Y350-G354 VanDerWaalsContact O-N 3.12Å; Y350-L367 HydrophobicContact CD1-CD1 3.76Å; Y350-L367 HydrophobicContact CE1-CD1 3.31Å; Y350-L367 HydrophobicContact CE1-CG 4.13Å; Y350-L367 HydrophobicContact CE2-CD1 4.48Å; Y350-V368 WeakPolarHBondContact CE1-O 3.18Å; Y350-R416 VanDerWaalsContact CD1-NH1 3.34Å
351	V	91.9	Very high	88.1	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-36.4	-180	170.4	0	0	0	0	109.4	Y340 V343 D347 L348 R349 K353 G354 H355 L367 H369	Y340-V351 HydrophobicContact CE1-CG1 4.32Å; V343-V351 HydrophobicContact CG1-CG2 3.89Å; V343-V351 HydrophobicContact CG2-CG2 4.49Å; D347-V351 WeakPolarHBondContact O-CG2 3.24Å; D347-V351 PolarHBondContact O-N 3.22Å; L348-V351 PolarHBondContact O-N 3.41Å; R349-V351 VanDerWaalsContact C-N 3.34Å; V351-K353 VanDerWaalsContact C-N 3.26Å; V351-K353 PolarHBondContact O-N 3.38Å; V351-G354 CarbonylContact O-C 2.52Å; V351-G354 PolarHBondContact O-N 3.37Å; V351-G354 VanDerWaalsContact O-N 3.1Å; V351-H355 WeakPolarHBondContact O-CB 3.19Å; V351-H355 PolarHBondContact O-N 3.15Å; V351-L367 HydrophobicContact CG1-CD2 4.25Å; V351-L367 HydrophobicContact CG2-CD2 4.26Å; V351-H369 HydrophobicContact CG2-CB 3.79Å
352	A	91.8	Very high	86.9	Confident	40 Å²	40	59.2 Å²	59.2	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-41.9	179.7	0	0	0	0	0	110.4	Y340 L348 R349 Y350 G354 H355 K356	Y340-A352 HydrophobicContact CE1-CB 4.21Å; L348-A352 VanDerWaalsContact O-CB 3.26Å; L348-A352 WeakPolarHBondContact O-CB 3.07Å; L348-A352 PolarHBondContact O-N 3.03Å; R349-A352 PolarHBondContact O-N 3.29Å; Y350-A352 VanDerWaalsContact C-N 3.3Å; Y350-A352 PolarHBondContact O-N 3.27Å; A352-G354 VanDerWaalsContact C-N 3.27Å; A352-G354 PolarHBondContact O-N 3.06Å; A352-H355 WeakPolarHBondContact O-CB 3.22Å; A352-H355 PolarHBondContact O-N 2.89Å; A352-K356 PolarHBondContact O-N 2.92Å
353	K	86.6	Confident	85.6	Confident	89 Å²	89	61.9 Å²	61.9	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.7	-172.6	174.6	179.4	176.9	0	111.2	R349 Y350 V351 H355 K356 E357 L426	R349-K353 WeakPolarHBondContact O-CB 2.86Å; R349-K353 PolarHBondContact O-N 3.08Å; Y350-K353 PolarHBondContact O-N 3.11Å; V351-K353 VanDerWaalsContact C-N 3.26Å; V351-K353 PolarHBondContact O-N 3.38Å; K353-H355 PolarHBondContact O-N 3.42Å; K353-K356 PolarHBondContact O-N 2.97Å; K353-E357 VanDerWaalsContact O-CG 3.28Å; K353-E357 WeakPolarHBondContact O-CG 3.45Å; K353-E357 PolarHBondContact O-N 2.84Å; K353-L426 HydrophobicContact CD-CD2 3.68Å; K353-L426 CovalentContact NZ-CD2 1.69Å
354	G	84.5	Confident	84.4	Confident	12 Å²	12	62.5 Å²	62.5	12%	0.124	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-39.6	176.1	0	0	0	0	0	112.2	Y350 V351 A352 K356 E357 L358 L364	Y350-G354 PolarHBondContact O-N 3.24Å; Y350-G354 VanDerWaalsContact O-N 3.12Å; V351-G354 CarbonylContact O-C 2.52Å; V351-G354 PolarHBondContact O-N 3.37Å; V351-G354 VanDerWaalsContact O-N 3.1Å; A352-G354 VanDerWaalsContact C-N 3.27Å; A352-G354 PolarHBondContact O-N 3.06Å; G354-K356 VanDerWaalsContact C-N 3.33Å; G354-K356 PolarHBondContact O-N 3.44Å; G354-E357 PolarHBondContact O-N 3.12Å; G354-L358 PolarHBondContact O-N 2.85Å; G354-L364 WeakPolarHBondContact O-CD1 3.41Å
355	H	91.7	Very high	82.6	Confident	22 Å²	22	62.7 Å²	62.7	10%	0.102	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-43	179.5	-174.4	-164.4	0	0	0	110.7	L312 L314 Y340 V351 A352 K353 E357 L358 F359	L312-H355 PolarHBondContact O-CE1 3.14Å; L312-H355 PolarHBondContact O-NE2 3.39Å; L314-H355 HydrophobicContact CD1-CB 4.18Å; L314-H355 WeakPolarHBondContact CD1-ND1 3.27Å; Y340-H355 AromaticContact CE2-ND1 3.89Å; Y340-H355 AromaticContact CZ-ND1 3.65Å; Y340-H355 WeakPolarHBondContact OH-CB 3.32Å; Y340-H355 PolarHBondContact OH-ND1 2.87Å; V351-H355 WeakPolarHBondContact O-CB 3.19Å; V351-H355 PolarHBondContact O-N 3.15Å; A352-H355 WeakPolarHBondContact O-CB 3.22Å; A352-H355 PolarHBondContact O-N 2.89Å; K353-H355 PolarHBondContact O-N 3.42Å; H355-E357 PolarHBondContact O-N 3.05Å; H355-L358 VanDerWaalsContact O-CB 3.24Å; H355-L358 WeakPolarHBondContact O-CB 3.47Å; H355-L358 PolarHBondContact O-N 3.33Å; H355-F359 AromaticContact CD2-CE2 3.5Å; H355-F359 AromaticContact NE2-CE2 3.34Å; H355-F359 VanDerWaalsContact NE2-CE2 3.34Å; H355-F359 WeakPolarHBondContact NE2-CE2 3.37Å; H355-F359 AromaticContact NE2-CZ 3.86Å; H355-F359 VanDerWaalsContact O-CD2 3.31Å; H355-F359 WeakPolarHBondContact O-CD2 3.48Å
356	K	87.4	Confident	81.4	Confident	138 Å²	138	60.7 Å²	60.7	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-39.9	177.4	-172.1	177.9	176.3	-179.8	0	110.8	A352 K353 G354 L358 F359	A352-K356 PolarHBondContact O-N 2.92Å; K353-K356 PolarHBondContact O-N 2.97Å; G354-K356 VanDerWaalsContact C-N 3.33Å; G354-K356 PolarHBondContact O-N 3.44Å; K356-L358 PolarHBondContact O-N 3.27Å; K356-F359 PolarHBondContact O-N 2.96Å
357	E	75.2	Confident	80.9	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-28	-177.7	-75.2	-59.4	136.2	0	0	111.2	K353 G354 H355 F359 K360 V361 L364	K353-E357 VanDerWaalsContact O-CG 3.28Å; K353-E357 WeakPolarHBondContact O-CG 3.45Å; K353-E357 PolarHBondContact O-N 2.84Å; G354-E357 PolarHBondContact O-N 3.12Å; H355-E357 PolarHBondContact O-N 3.05Å; E357-F359 PolarHBondContact O-N 3.36Å; E357-K360 WeakPolarHBondContact O-CB 3.39Å; E357-K360 PolarHBondContact O-N 3.07Å; E357-K360 IonicContact OE1-NZ 3.85Å; E357-V361 PolarHBondContact O-N 3.41Å; E357-L364 HydrophobicContact CB-CD2 4.18Å
358	L	82.4	Confident	80.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-57	-33	179.5	173	65.2	0	0	0	111.1	G354 H355 K356 K360 V361 G362 L364 I385 L387 I397	G354-L358 PolarHBondContact O-N 2.85Å; H355-L358 VanDerWaalsContact O-CB 3.24Å; H355-L358 WeakPolarHBondContact O-CB 3.47Å; H355-L358 PolarHBondContact O-N 3.33Å; K356-L358 PolarHBondContact O-N 3.27Å; L358-K360 PolarHBondContact O-N 3.01Å; L358-V361 PolarHBondContact O-N 3.13Å; L358-G362 VanDerWaalsContact O-CA 3.26Å; L358-G362 WeakPolarHBondContact O-CA 3.37Å; L358-G362 PolarHBondContact O-N 3.3Å; L358-L364 HydrophobicContact CB-CD1 3.75Å; L358-L364 HydrophobicContact CB-CG 4.21Å; L358-L364 HydrophobicContact CD1-CG 4.31Å; L358-I385 HydrophobicContact CD1-CB 4.41Å; L358-I385 HydrophobicContact CD1-CG2 3.9Å; L358-I385 HydrophobicContact CD2-CG2 3.49Å; L358-I385 VanDerWaalsContact CD2-CG2 3.49Å; L358-I385 HydrophobicContact CG-CG2 4.31Å; L358-L387 HydrophobicContact CD1-CB 4.14Å; L358-L387 HydrophobicContact CG-CB 4.24Å; L358-I397 HydrophobicContact CD2-CD1 3.57Å; L358-I397 HydrophobicContact CD2-CG1 3.92Å; L358-I397 HydrophobicContact CD2-CG2 3.96Å
359	F	84.6	Confident	80.6	Confident	68 Å²	68	52.9 Å²	52.9	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-83.2	-15.9	-176.6	-73.4	-82.1	0	0	0	110.4	L312 H355 K356 E357 L387	L312-F359 HydrophobicContact CB-CE1 4.41Å; L312-F359 HydrophobicContact CB-CZ 4.15Å; L312-F359 HydrophobicContact CD2-CE1 3.97Å; L312-F359 HydrophobicContact CD2-CZ 4.32Å; H355-F359 AromaticContact CD2-CE2 3.5Å; H355-F359 AromaticContact NE2-CE2 3.34Å; H355-F359 VanDerWaalsContact NE2-CE2 3.34Å; H355-F359 WeakPolarHBondContact NE2-CE2 3.37Å; H355-F359 AromaticContact NE2-CZ 3.86Å; H355-F359 VanDerWaalsContact O-CD2 3.31Å; H355-F359 WeakPolarHBondContact O-CD2 3.48Å; K356-F359 PolarHBondContact O-N 2.96Å; E357-F359 PolarHBondContact O-N 3.36Å; F359-L387 HydrophobicContact CD1-CD2 4.09Å; F359-L387 HydrophobicContact CE1-CD1 4.22Å
360	K	76.1	Confident	80.8	Confident	125 Å²	125	43.3 Å²	43.3	54%	0.543	23%	0.232	S	C	.	.	H	α-helix	trans	-86.3	-36.9	176.4	-67.9	-178.5	-176.4	178.3	0	111	E357 L358	E357-K360 WeakPolarHBondContact O-CB 3.39Å; E357-K360 PolarHBondContact O-N 3.07Å; E357-K360 IonicContact OE1-NZ 3.85Å; L358-K360 PolarHBondContact O-N 3.01Å
361	V	71.2	Confident	81.1	Confident	65 Å²	65	40.3 Å²	40.3	39%	0.394	22%	0.22	S	C	.	.	H	α-helix	trans	-104.9	-26.5	-168.5	177.8	0	0	0	0	108.9	E357 L358 S363	E357-V361 PolarHBondContact O-N 3.41Å; L358-V361 PolarHBondContact O-N 3.13Å; V361-S363 VanDerWaalsContact C-N 3.31Å
362	G	67.4	Low	81.2	Confident	26 Å²	26	42.3 Å²	42.3	27%	0.268	23%	0.23	S	C	.	.	S	Bend	trans	95.5	-17.5	177.7	0	0	0	0	0	110.6	L358 L387	L358-G362 VanDerWaalsContact O-CA 3.26Å; L358-G362 WeakPolarHBondContact O-CA 3.37Å; L358-G362 PolarHBondContact O-N 3.3Å; G362-L387 WeakPolarHBondContact O-CB 3.44Å; G362-L387 PolarHBondContact O-N 3.31Å
363	S	65.3	Low	81.3	Confident	62 Å²	62	40.7 Å²	40.7	43%	0.434	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	148.4	177.4	64.9	0	0	0	0	109.5	V361 I385	V361-S363 VanDerWaalsContact C-N 3.31Å; S363-I385 CarbonylContact C-O 3.55Å; S363-I385 WeakPolarHBondContact CA-O 3.14Å
364	L	68.9	Low	81.4	Confident	20 Å²	20	42.4 Å²	42.4	11%	0.105	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.5	177.1	-71.3	172.9	0	0	0	109.9	G354 E357 L358 R384 I385	G354-L364 WeakPolarHBondContact O-CD1 3.41Å; E357-L364 HydrophobicContact CB-CD2 4.18Å; L358-L364 HydrophobicContact CB-CD1 3.75Å; L358-L364 HydrophobicContact CB-CG 4.21Å; L358-L364 HydrophobicContact CD1-CG 4.31Å; L364-R384 CarbonylContact O-C 3.57Å; L364-R384 WeakPolarHBondContact O-CA 3.5Å; L364-I385 HydrophobicContact CB-CB 4.09Å; L364-I385 HydrophobicContact CD1-CD1 4.38Å; L364-I385 PolarHBondContact N-O 3.35Å; L364-I385 PolarHBondContact O-N 3.2Å
365	G	58.1	Low	81.7	Confident	32 Å²	32	47.7 Å²	47.7	33%	0.33	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	0	-161.6	0	0	0	0	0	110.3	R384	G365-R384 WeakPolarHBondContact O-CG 3.21Å; G365-R384 PolarHBondContact O-NE 2.7Å
366	L	68.9	Low	81.7	Confident	38 Å²	38	51 Å²	51	20%	0.199	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)		0	83.7	0	-79.6	154.8	0	0	0	109.1	T225 Q382	T225-L366 VanDerWaalsContact CB-CD1 3.47Å; T225-L366 HydrophobicContact CG2-CD1 3.73Å; T225-L366 WeakPolarHBondContact OG1-CD1 3.27Å; L366-Q382 VanDerWaalsContact CD2-CD 3.46Å; L366-Q382 HydrophobicContact CD2-CG 4.05Å
367	L	82.3	Confident	82	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	107.3	177.3	-170.3	68.7	0	0	0	109.3	Y350 V351 H369 S383 I385	Y350-L367 HydrophobicContact CD1-CD1 3.76Å; Y350-L367 HydrophobicContact CE1-CD1 3.31Å; Y350-L367 HydrophobicContact CE1-CG 4.13Å; Y350-L367 HydrophobicContact CE2-CD1 4.48Å; V351-L367 HydrophobicContact CG1-CD2 4.25Å; V351-L367 HydrophobicContact CG2-CD2 4.26Å; L367-H369 PolarHBondContact O-CD2 3.39Å; L367-S383 PolarHBondContact N-O 2.95Å; L367-S383 PolarHBondContact O-N 2.74Å; L367-I385 HydrophobicContact CD2-CD1 3.5Å; L367-I385 VanDerWaalsContact CD2-CD1 3.5Å
368	V	87	Confident	82.9	Confident	8 Å²	8	52.3 Å²	52.3	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.6	-178	179	0	0	0	0	109.3	Y350 W380 L381 Q382 L404 L412 R416	Y350-V368 WeakPolarHBondContact CE1-O 3.18Å; V368-W380 HydrophobicContact CG1-CE3 3.99Å; V368-W380 HydrophobicContact CG1-CZ3 4.11Å; V368-L381 CarbonylContact C-O 3.52Å; V368-L381 VanDerWaalsContact CA-O 3.23Å; V368-L381 WeakPolarHBondContact CA-O 2.8Å; V368-Q382 HydrophobicContact CG2-CG 4.26Å; V368-L404 HydrophobicContact CG1-CD1 3.89Å; V368-L412 HydrophobicContact CB-CB 4.38Å; V368-L412 HydrophobicContact CB-CD1 4.4Å; V368-L412 HydrophobicContact CG1-CB 3.94Å; V368-L412 HydrophobicContact CG1-CD1 4.03Å; V368-L412 HydrophobicContact CG2-CB 4.08Å; V368-L412 HydrophobicContact CG2-CD1 3.52Å; V368-L412 HydrophobicContact CG2-CG 4.32Å; V368-R416 VanDerWaalsContact CB-NE 3.31Å; V368-R416 CovalentContact CB-NH2 1.73Å; V368-R416 VanDerWaalsContact CG1-CZ 3.45Å; V368-R416 PolarHBondContact O-NE 2.79Å; V368-R416 PolarHBondContact O-NH1 3.19Å; V368-R416 CovalentContact O-NH2 1.54Å; V368-R416 PolarHBondContact O-NH2 2.59Å
369	H	91.7	Very high	83.4	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.019	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	170.4	-175.7	56.2	87.4	0	0	0	109.2	D347 V351 L367 W371 L381 S383	D347-H369 HydrophobicContact CB-CB 4.17Å; V351-H369 HydrophobicContact CG2-CB 3.79Å; L367-H369 PolarHBondContact O-CD2 3.39Å; H369-W371 AromaticContact CE1-CD1 3.06Å; H369-W371 AromaticContact CE1-CE2 3.31Å; H369-W371 AromaticContact CE1-CZ2 3.91Å; H369-W371 AromaticContact CE1-NE1 2.48Å; H369-W371 PolarHBondContact CE1-NE1 2.57Å; H369-W371 AromaticContact ND1-CD1 2.89Å; H369-W371 AromaticContact ND1-CE2 3.96Å; H369-W371 AromaticContact ND1-NE1 2.79Å; H369-W371 PolarHBondContact ND1-NE1 2.84Å; H369-W371 AromaticContact NE2-NE1 3.67Å; H369-L381 PolarHBondContact N-O 3.21Å; H369-L381 PolarHBondContact O-N 2.91Å; H369-L381 VanDerWaalsContact O-O 3.14Å; H369-S383 PolarHBondContact CE1-OG 2.58Å; H369-S383 WeakPolarHBondContact NE2-CB 3.13Å; H369-S383 PolarHBondContact NE2-OG 2.82Å
370	R	95.2	Very high	83.7	Confident	26 Å²	26	50.3 Å²	50.3	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	0	-177.8	-68.4	160.8	-73.7	-169.8	0.5	109.8	V343 H344 D347 W378 I379 W380	V343-R370 CarbonylContact C-O 3.37Å; V343-R370 VanDerWaalsContact CA-O 3.3Å; V343-R370 WeakPolarHBondContact CA-O 3.4Å; H344-R370 HydrophobicContact CB-CB 3.9Å; H344-R370 PolarHBondContact N-O 2.97Å; D347-R370 IonicContact OD1-CZ 2.91Å; D347-R370 IonicContact OD1-NE 1.78Å; D347-R370 IonicContact OD1-NH2 3.66Å; D347-R370 PolarHBondContact OD1-NH2 2.83Å; D347-R370 IonicContact OD2-CZ 3.17Å; D347-R370 PolarHBondContact OD2-N 2.99Å; D347-R370 VanDerWaalsContact OD2-N 3.09Å; D347-R370 IonicContact OD2-NE 3.91Å; D347-R370 PolarHBondContact OD2-NE 3.1Å; D347-R370 IonicContact OD2-NH2 3.81Å; D347-R370 PolarHBondContact OD2-NH2 3.47Å; R370-W378 HydrophobicContact CB-CB 4.38Å; R370-W378 HydrophobicContact CB-CE3 4.08Å; R370-I379 VanDerWaalsContact CA-O 3.24Å; R370-I379 WeakPolarHBondContact CA-O 2.93Å; R370-W380 HydrophobicContact CG-CD2 3.32Å; R370-W380 HydrophobicContact CG-CE3 3.3Å; R370-W380 HydrophobicContact CG-CG 3.99Å; R370-W380 HydrophobicContact CG-CH2 3.67Å; R370-W380 HydrophobicContact CG-CZ2 3.71Å; R370-W380 HydrophobicContact CG-CZ3 3.47Å; R370-W380 VanDerWaalsContact CG-CZ3 3.47Å; R370-W380 VanDerWaalsContact NE-CH2 3.34Å
371	W	94.7	Very high	84.4	Confident	5 Å²	5	44.4 Å²	44.4	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)		0	151.8	0	-80.2	18.8	0	0	0	109.3	F327 V339 L342 H369 W378 I379 L381 H401	F327-W371 HydrophobicContact CD1-CB 4.29Å; F327-W371 HydrophobicContact CD1-CE3 4.44Å; F327-W371 HydrophobicContact CE1-CB 3.24Å; F327-W371 HydrophobicContact CE1-CD2 4.25Å; F327-W371 AromaticContact CE1-CE3 3.71Å; F327-W371 HydrophobicContact CE1-CE3 3.71Å; F327-W371 HydrophobicContact CE1-CG 4.16Å; F327-W371 AromaticContact CE2-CE3 3.82Å; F327-W371 HydrophobicContact CE2-CE3 3.82Å; F327-W371 HydrophobicContact CE2-CZ3 4.29Å; F327-W371 HydrophobicContact CZ-CB 3.73Å; F327-W371 HydrophobicContact CZ-CD2 4.03Å; F327-W371 AromaticContact CZ-CE3 3.35Å; F327-W371 HydrophobicContact CZ-CE3 3.35Å; F327-W371 HydrophobicContact CZ-CG 4.23Å; F327-W371 HydrophobicContact CZ-CZ3 4.24Å; V339-W371 HydrophobicContact CB-CZ2 4.49Å; V339-W371 HydrophobicContact CG1-CH2 4.29Å; V339-W371 HydrophobicContact CG1-CZ2 3.47Å; V339-W371 VanDerWaalsContact CG1-CZ2 3.47Å; V339-W371 HydrophobicContact CG2-CH2 4.35Å; V339-W371 HydrophobicContact CG2-CZ2 4.3Å; L342-W371 HydrophobicContact CB-CG 4.47Å; L342-W371 HydrophobicContact CD1-CE3 4.26Å; L342-W371 HydrophobicContact CD1-CZ3 4.37Å; L342-W371 CarbonylContact O-C 3.58Å; L342-W371 WeakPolarHBondContact O-CA 3.11Å; H369-W371 AromaticContact CE1-CD1 3.06Å; H369-W371 AromaticContact CE1-CE2 3.31Å; H369-W371 AromaticContact CE1-CZ2 3.91Å; H369-W371 AromaticContact CE1-NE1 2.48Å; H369-W371 PolarHBondContact CE1-NE1 2.57Å; H369-W371 AromaticContact ND1-CD1 2.89Å; H369-W371 AromaticContact ND1-CE2 3.96Å; H369-W371 AromaticContact ND1-NE1 2.79Å; H369-W371 PolarHBondContact ND1-NE1 2.84Å; H369-W371 AromaticContact NE2-NE1 3.67Å; W371-W378 CarbonylContact O-C 3.55Å; W371-W378 WeakPolarHBondContact O-CA 3.31Å; W371-I379 PolarHBondContact N-O 2.85Å; W371-I379 PolarHBondContact O-N 2.8Å; W371-L381 HydrophobicContact CB-CD1 3.64Å; W371-L381 HydrophobicContact CD2-CD1 3.41Å; W371-L381 VanDerWaalsContact CD2-CD1 3.41Å; W371-L381 HydrophobicContact CE3-CD1 3.83Å; W371-L381 HydrophobicContact CG-CD1 3.32Å; W371-H401 AromaticContact CH2-CE1 3.84Å; W371-H401 AromaticContact CH2-NE2 3.95Å; W371-H401 AromaticContact CZ2-CE1 3.83Å
372	L	94.6	Very high	85.1	Confident	48 Å²	48	42 Å²	42	25%	0.251	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.4	179.7	-172.5	69.4	0	0	0	110.2	Y329 L342 W378	Y329-L372 WeakPolarHBondContact CE2-O 3.44Å; Y329-L372 PolarHBondContact OH-O 2.79Å; L342-L372 PolarHBondContact O-N 2.72Å; L372-W378 HydrophobicContact CB-CE3 4.05Å; L372-W378 HydrophobicContact CB-CH2 4.12Å; L372-W378 HydrophobicContact CB-CZ3 3.66Å; L372-W378 HydrophobicContact CD1-CD2 3.91Å; L372-W378 HydrophobicContact CD1-CE3 4.03Å; L372-W378 HydrophobicContact CD1-CH2 3.99Å; L372-W378 HydrophobicContact CD1-CZ2 3.92Å; L372-W378 HydrophobicContact CD1-CZ3 4.05Å; L372-W378 HydrophobicContact CG-CH2 4.5Å; L372-W378 HydrophobicContact CG-CZ3 4.43Å
373	N	92.8	Very high	85.9	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.032	21%	0.212	C	C	.	.			trans	-90.9	0	177	67.5	2.4	0	0	0	110	F327 Y329 Q375 S376 Q377 I379	F327-N373 HydrophobicContact CD1-CB 4.18Å; Y329-N373 VanDerWaalsContact OH-C 3.26Å; Y329-N373 PolarHBondContact OH-O 2.37Å; N373-Q375 PolarHBondContact O-N 3.46Å; N373-Q375 VanDerWaalsContact OD1-C 3.29Å; N373-Q375 PolarHBondContact OD1-N 3.42Å; N373-S376 PolarHBondContact O-N 3.27Å; N373-S376 WeakPolarHBondContact OD1-CA 3.41Å; N373-S376 PolarHBondContact OD1-N 3.22Å; N373-Q377 PolarHBondContact N-O 2.71Å; N373-Q377 VanDerWaalsContact ND2-CB 3.27Å; N373-Q377 WeakPolarHBondContact ND2-CB 3.36Å; N373-Q377 PolarHBondContact ND2-OE1 3.32Å; N373-Q377 WeakPolarHBondContact OD1-CA 2.72Å; N373-Q377 WeakPolarHBondContact OD1-CB 3.35Å; N373-Q377 PolarHBondContact OD1-N 3.01Å; N373-Q377 PolarHBondContact OD1-O 2.93Å; N373-I379 HydrophobicContact CB-CD1 3.88Å; N373-I379 HydrophobicContact CB-CG1 4.46Å
374	K	90.4	Very high	86.2	Confident	126 Å²	126	41.6 Å²	41.6	55%	0.548	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn		0	-21.4	0	-167.1	170.6	-179.7	177.8	0	110.3	F327 N328 Y329 D333 S376	F327-K374 WeakPolarHBondContact O-CB 3.49Å; F327-K374 PolarHBondContact O-N 1.83Å; N328-K374 HydrophobicContact CB-CB 3.89Å; N328-K374 WeakPolarHBondContact O-CD 3.29Å; Y329-K374 HydrophobicContact CD1-CB 4.21Å; Y329-K374 HydrophobicContact CD1-CG 4.49Å; Y329-K374 HydrophobicContact CE1-CB 3.97Å; Y329-K374 HydrophobicContact CE1-CG 4.3Å; D333-K374 IonicContact OD2-NZ 3.03Å; K374-S376 PolarHBondContact O-N 3.36Å
375	Q	90.9	Very high	86.8	Confident	123 Å²	123	41.3 Å²	41.3	58%	0.575	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	10.2	179.6	-66.4	173.4	-12	0	0	110.6	N328 N373 Q377	N328-Q375 PolarHBondContact ND2-NE2 3.35Å; N373-Q375 PolarHBondContact O-N 3.46Å; N373-Q375 VanDerWaalsContact OD1-C 3.29Å; N373-Q375 PolarHBondContact OD1-N 3.42Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 3.06Å
376	S	91	Very high	87.9	Confident	92 Å²	92	45.9 Å²	45.9	64%	0.643	22%	0.215	S	C	*	.	S	Bend	trans	69.3	32.4	174.9	-65.1	0	0	0	0	111.2	N373 K374	N373-S376 PolarHBondContact O-N 3.27Å; N373-S376 WeakPolarHBondContact OD1-CA 3.41Å; N373-S376 PolarHBondContact OD1-N 3.22Å; K374-S376 PolarHBondContact O-N 3.36Å
377	Q	92.7	Very high	88.6	Confident	113 Å²	113	44.9 Å²	44.9	53%	0.528	21%	0.21	S	C	.	.			trans	-108.9	144.7	171.5	-63.7	178.2	-48.4	0	0	111.1	N373 Q375	N373-Q377 PolarHBondContact N-O 2.71Å; N373-Q377 VanDerWaalsContact ND2-CB 3.27Å; N373-Q377 WeakPolarHBondContact ND2-CB 3.36Å; N373-Q377 PolarHBondContact ND2-OE1 3.32Å; N373-Q377 WeakPolarHBondContact OD1-CA 2.72Å; N373-Q377 WeakPolarHBondContact OD1-CB 3.35Å; N373-Q377 PolarHBondContact OD1-N 3.01Å; N373-Q377 PolarHBondContact OD1-O 2.93Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 3.06Å
378	W	94.3	Very high	88.9	Confident	101 Å²	101	46.5 Å²	46.5	38%	0.383	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.6	-179.6	-65.2	107.9	0	0	0	109.9	H344 R370 W371 L372	H344-W378 HydrophobicContact CB-CD2 4.49Å; H344-W378 HydrophobicContact CB-CE3 3.91Å; H344-W378 HydrophobicContact CB-CH2 3.97Å; H344-W378 HydrophobicContact CB-CZ3 3.61Å; H344-W378 AromaticContact CD2-CD2 3.63Å; H344-W378 AromaticContact CD2-CE2 3.38Å; H344-W378 AromaticContact CD2-CE3 3.95Å; H344-W378 AromaticContact CD2-CH2 3.81Å; H344-W378 AromaticContact CD2-CZ2 3.5Å; H344-W378 VanDerWaalsContact CD2-CZ2 3.5Å; H344-W378 WeakPolarHBondContact CD2-CZ2 3.06Å; H344-W378 AromaticContact CD2-NE1 3.86Å; R370-W378 HydrophobicContact CB-CB 4.38Å; R370-W378 HydrophobicContact CB-CE3 4.08Å; W371-W378 CarbonylContact O-C 3.55Å; W371-W378 WeakPolarHBondContact O-CA 3.31Å; L372-W378 HydrophobicContact CB-CE3 4.05Å; L372-W378 HydrophobicContact CB-CH2 4.12Å; L372-W378 HydrophobicContact CB-CZ3 3.66Å; L372-W378 HydrophobicContact CD1-CD2 3.91Å; L372-W378 HydrophobicContact CD1-CE3 4.03Å; L372-W378 HydrophobicContact CD1-CH2 3.99Å; L372-W378 HydrophobicContact CD1-CZ2 3.92Å; L372-W378 HydrophobicContact CD1-CZ3 4.05Å; L372-W378 HydrophobicContact CG-CH2 4.5Å; L372-W378 HydrophobicContact CG-CZ3 4.43Å
379	I	93.6	Very high	88.8	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130	-179.5	-60.7	-179.5	0	0	0	108	I326 F327 R370 W371 N373 L381 Q403	I326-I379 HydrophobicContact CG2-CD1 3.32Å; I326-I379 HydrophobicContact CG2-CG2 4.34Å; F327-I379 HydrophobicContact CD1-CD1 4.07Å; F327-I379 HydrophobicContact CE1-CB 4.35Å; F327-I379 HydrophobicContact CE1-CD1 4.01Å; R370-I379 VanDerWaalsContact CA-O 3.24Å; R370-I379 WeakPolarHBondContact CA-O 2.93Å; W371-I379 PolarHBondContact N-O 2.85Å; W371-I379 PolarHBondContact O-N 2.8Å; N373-I379 HydrophobicContact CB-CD1 3.88Å; N373-I379 HydrophobicContact CB-CG1 4.46Å; I379-L381 HydrophobicContact CG2-CD2 3.98Å; I379-L381 HydrophobicContact CG2-CG 4.45Å; I379-Q403 HydrophobicContact CG2-CG 4.03Å
380	W	91.7	Very high	88.5	Confident	10 Å²	10	57 Å²	57	4%	0.038	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.7	-179.6	-77.1	99.3	0	0	0	110.4	V368 R370 L404 N406 M410 L413	V368-W380 HydrophobicContact CG1-CE3 3.99Å; V368-W380 HydrophobicContact CG1-CZ3 4.11Å; R370-W380 HydrophobicContact CG-CD2 3.32Å; R370-W380 HydrophobicContact CG-CE3 3.3Å; R370-W380 HydrophobicContact CG-CG 3.99Å; R370-W380 HydrophobicContact CG-CH2 3.67Å; R370-W380 HydrophobicContact CG-CZ2 3.71Å; R370-W380 HydrophobicContact CG-CZ3 3.47Å; R370-W380 VanDerWaalsContact CG-CZ3 3.47Å; R370-W380 VanDerWaalsContact NE-CH2 3.34Å; W380-L404 HydrophobicContact CB-CB 3.63Å; W380-L404 PolarHBondContact O-N 3.2Å; W380-N406 VanDerWaalsContact CD1-OD1 3.23Å; W380-M410 VanDerWaalsContact CE2-CE 3.47Å; W380-M410 HydrophobicContact CH2-CE 2.93Å; W380-M410 HydrophobicContact CZ2-CE 2.38Å; W380-M410 HydrophobicContact CZ2-SD 4.11Å; W380-M410 HydrophobicContact CZ3-CE 4.24Å; W380-L413 HydrophobicContact CH2-CB 3.97Å; W380-L413 HydrophobicContact CH2-CD2 3.88Å; W380-L413 HydrophobicContact CH2-CG 4.37Å; W380-L413 HydrophobicContact CZ3-CB 4.37Å
381	L	90.8	Very high	88	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.2	-178.4	-60.6	171.9	0	0	0	108.8	F306 F327 V368 H369 W371 I379 H401 R402	F306-L381 HydrophobicContact CE1-CD2 3.89Å; F306-L381 HydrophobicContact CZ-CD1 4.31Å; F306-L381 HydrophobicContact CZ-CD2 3.71Å; F327-L381 HydrophobicContact CE1-CD1 4.27Å; F327-L381 HydrophobicContact CE2-CD1 4.39Å; F327-L381 HydrophobicContact CZ-CD1 3.46Å; F327-L381 VanDerWaalsContact CZ-CD1 3.46Å; F327-L381 HydrophobicContact CZ-CD2 4.23Å; F327-L381 HydrophobicContact CZ-CG 4.32Å; V368-L381 CarbonylContact C-O 3.52Å; V368-L381 VanDerWaalsContact CA-O 3.23Å; V368-L381 WeakPolarHBondContact CA-O 2.8Å; H369-L381 PolarHBondContact N-O 3.21Å; H369-L381 PolarHBondContact O-N 2.91Å; H369-L381 VanDerWaalsContact O-O 3.14Å; W371-L381 HydrophobicContact CB-CD1 3.64Å; W371-L381 HydrophobicContact CD2-CD1 3.41Å; W371-L381 VanDerWaalsContact CD2-CD1 3.41Å; W371-L381 HydrophobicContact CE3-CD1 3.83Å; W371-L381 HydrophobicContact CG-CD1 3.32Å; I379-L381 HydrophobicContact CG2-CD2 3.98Å; I379-L381 HydrophobicContact CG2-CG 4.45Å; L381-H401 HydrophobicContact CD2-CB 4.49Å; L381-R402 WeakPolarHBondContact CA-O 3.17Å
382	Q	85.4	Confident	87.4	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.065	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	0	164.5	-177.1	-179	-6.4	0	0	110.3	L366 V368 H401 R402 L404	L366-Q382 VanDerWaalsContact CD2-CD 3.46Å; L366-Q382 HydrophobicContact CD2-CG 4.05Å; V368-Q382 HydrophobicContact CG2-CG 4.26Å; Q382-H401 WeakPolarHBondContact O-CA 3.2Å; Q382-R402 HydrophobicContact CB-CB 4.38Å; Q382-R402 PolarHBondContact N-O 2.9Å; Q382-R402 PolarHBondContact O-N 3.18Å; Q382-L404 HydrophobicContact CB-CD1 3.75Å; Q382-L404 HydrophobicContact CB-CD2 4.1Å; Q382-L404 HydrophobicContact CB-CG 4.02Å
383	S	83.3	Confident	87.1	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)		0	135.6	0	-60.3	0	0	0	0	109.5	L367 H369 I400 H401	L367-S383 PolarHBondContact N-O 2.95Å; L367-S383 PolarHBondContact O-N 2.74Å; H369-S383 PolarHBondContact CE1-OG 2.58Å; H369-S383 WeakPolarHBondContact NE2-CB 3.13Å; H369-S383 PolarHBondContact NE2-OG 2.82Å; S383-I400 WeakPolarHBondContact CA-O 3.42Å; S383-H401 PolarHBondContact OG-CE1 3.13Å; S383-H401 VanDerWaalsContact OG-CE1 3.22Å; S383-H401 PolarHBondContact OG-ND1 3.48Å
384	R	71.9	Confident	86.9	Confident	80 Å²	80	75.5 Å²	75.5	30%	0.302	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.2	167.9	-65.5	-176.2	174.5	150	-1.6	110.5	D218 T220 L364 G365 V399 I400	D218-R384 IonicContact OD2-NH1 3.11Å; D218-R384 IonicContact OD2-NH2 3.03Å; T220-R384 PolarHBondContact OG1-NH1 3.31Å; L364-R384 CarbonylContact O-C 3.57Å; L364-R384 WeakPolarHBondContact O-CA 3.5Å; G365-R384 WeakPolarHBondContact O-CG 3.21Å; G365-R384 PolarHBondContact O-NE 2.7Å; R384-V399 CarbonylContact O-C 3.48Å; R384-V399 WeakPolarHBondContact O-CA 3.43Å; R384-V399 WeakPolarHBondContact O-CG1 3.4Å; R384-I400 PolarHBondContact N-O 3.46Å; R384-I400 PolarHBondContact O-N 2.92Å
385	I	81.7	Confident	87	Confident	14 Å²	14	73 Å²	73	7%	0.072	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.1	-170.8	-55.1	170.6	0	0	0	109	L358 S363 L364 L367 I397 V399	L358-I385 HydrophobicContact CD1-CB 4.41Å; L358-I385 HydrophobicContact CD1-CG2 3.9Å; L358-I385 HydrophobicContact CD2-CG2 3.49Å; L358-I385 VanDerWaalsContact CD2-CG2 3.49Å; L358-I385 HydrophobicContact CG-CG2 4.31Å; S363-I385 CarbonylContact C-O 3.55Å; S363-I385 WeakPolarHBondContact CA-O 3.14Å; L364-I385 HydrophobicContact CB-CB 4.09Å; L364-I385 HydrophobicContact CD1-CD1 4.38Å; L364-I385 PolarHBondContact N-O 3.35Å; L364-I385 PolarHBondContact O-N 3.2Å; L367-I385 HydrophobicContact CD2-CD1 3.5Å; L367-I385 VanDerWaalsContact CD2-CD1 3.5Å; I385-I397 HydrophobicContact CG2-CG2 3.22Å; I385-V399 HydrophobicContact CB-CG2 4.42Å; I385-V399 HydrophobicContact CG1-CG1 3.83Å; I385-V399 HydrophobicContact CG1-CG2 4.1Å; I385-V399 HydrophobicContact CG2-CG2 3.94Å
386	K	80.3	Confident	87.1	Confident	129 Å²	129	68.3 Å²	68.3	56%	0.561	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	0	178.1	-170.8	173.8	178.1	177.8	0	109.3	I388 I397 I398	K386-I388 HydrophobicContact CD-CD1 4.1Å; K386-I388 HydrophobicContact CG-CD1 4.15Å; K386-I397 WeakPolarHBondContact O-CA 3.21Å; K386-I398 PolarHBondContact N-O 2.79Å; K386-I398 PolarHBondContact O-N 3.12Å
387	L	85.4	Confident	87.1	Confident	17 Å²	17	64 Å²	64	9%	0.089	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)		0	123.7	0	178.1	68	0	0	0	110.3	L312 L358 F359 G362 M389 Q394 I397	L312-L387 HydrophobicContact CD2-CD1 3.45Å; L312-L387 VanDerWaalsContact CD2-CD1 3.45Å; L358-L387 HydrophobicContact CD1-CB 4.14Å; L358-L387 HydrophobicContact CG-CB 4.24Å; F359-L387 HydrophobicContact CD1-CD2 4.09Å; F359-L387 HydrophobicContact CE1-CD1 4.22Å; G362-L387 WeakPolarHBondContact O-CB 3.44Å; G362-L387 PolarHBondContact O-N 3.31Å; L387-M389 HydrophobicContact CD2-SD 4.19Å; L387-M389 HydrophobicContact CG-SD 4.36Å; L387-Q394 HydrophobicContact CD1-CB 4.28Å; L387-Q394 HydrophobicContact CD2-CB 4.45Å; L387-Q394 HydrophobicContact CD2-CG 3.77Å; L387-Q394 HydrophobicContact CG-CG 4.41Å; L387-I397 HydrophobicContact CD1-CG1 3.94Å
388	I	86.8	Confident	86.9	Confident	43 Å²	43	61.3 Å²	61.3	22%	0.221	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.3	-176.6	-58.9	-61.1	0	0	0	108.7	K386 D395 H396 I398	K386-I388 HydrophobicContact CD-CD1 4.1Å; K386-I388 HydrophobicContact CG-CD1 4.15Å; I388-D395 PolarHBondContact O-N 3.23Å; I388-H396 VanDerWaalsContact CG2-CE1 3.5Å; I388-H396 WeakPolarHBondContact CG2-CE1 3.28Å; I388-H396 PolarHBondContact N-O 3.16Å; I388-H396 PolarHBondContact O-N 2.93Å; I388-I398 HydrophobicContact CD1-CD1 4.09Å; I388-I398 HydrophobicContact CG1-CD1 3.7Å; I388-I398 HydrophobicContact CG1-CG1 3.91Å
389	M	85.4	Confident	86.7	Confident	97 Å²	97	56.7 Å²	56.7	48%	0.478	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.1	-179.5	-57.2	-70	-70	0	0	109.5	L387 G392 K393 Q394	L387-M389 HydrophobicContact CD2-SD 4.19Å; L387-M389 HydrophobicContact CG-SD 4.36Å; M389-G392 WeakPolarHBondContact CE-O 2.79Å; M389-K393 CarbonylContact C-O 3.43Å; M389-K393 VanDerWaalsContact CA-O 3.26Å; M389-K393 WeakPolarHBondContact CA-O 2.65Å; M389-K393 VanDerWaalsContact CE-C 3.41Å; M389-Q394 HydrophobicContact CE-CB 4.35Å; M389-Q394 HydrophobicContact CE-CG 3.55Å; M389-Q394 VanDerWaalsContact CE-N 3.33Å; M389-Q394 WeakPolarHBondContact SD-CA 3.16Å; M389-Q394 HydrophobicContact SD-CB 3.67Å; M389-Q394 HydrophobicContact SD-CG 3.08Å; M389-Q394 WeakPolarHBondContact SD-CG 3.29Å; M389-Q394 PolarHBondContact SD-N 3.09Å
390	K	84.9	Confident	86.3	Confident	137 Å²	137	58.1 Å²	58.1	60%	0.596	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	118.4	172.7	-167	175.9	173.7	177.7	0	109.9	G392 K393 D395	K390-G392 PolarHBondContact O-N 3.01Å; K390-K393 PolarHBondContact N-O 2.77Å; K390-K393 PolarHBondContact O-N 3.49Å; K390-D395 HydrophobicContact CB-CB 3.9Å
391	N	85.3	Confident	86.1	Confident	156 Å²	156	57.7 Å²	57.7	83%	0.834	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	32.8	178.1	-63	-13.5	0	0	0	111.3	K393	N391-K393 PolarHBondContact O-N 2.96Å
392	G	82.1	Confident	85.7	Confident	69 Å²	69	60.1 Å²	60.1	71%	0.711	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	0	175.3	0	0	0	0	0	111.2	M389 K390	M389-G392 WeakPolarHBondContact CE-O 2.79Å; K390-G392 PolarHBondContact O-N 3.01Å
393	K	87.8	Confident	85.8	Confident	164 Å²	164	62.9 Å²	62.9	71%	0.713	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)		0	147.2	0	-69.7	-175.9	-177.7	-179.1	0	109.3	M389 K390 N391 D395	M389-K393 CarbonylContact C-O 3.43Å; M389-K393 VanDerWaalsContact CA-O 3.26Å; M389-K393 WeakPolarHBondContact CA-O 2.65Å; M389-K393 VanDerWaalsContact CE-C 3.41Å; K390-K393 PolarHBondContact N-O 2.77Å; K390-K393 PolarHBondContact O-N 3.49Å; N391-K393 PolarHBondContact O-N 2.96Å; K393-D395 PolarHBondContact O-N 3.13Å
394	Q	89.6	Confident	85.7	Confident	84 Å²	84	63.3 Å²	63.3	39%	0.393	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.7	178.5	-61.9	170.4	-9.5	0	0	110.3	L312 L387 M389	L312-Q394 HydrophobicContact CD1-CB 3.92Å; L312-Q394 HydrophobicContact CD2-CB 4.01Å; L387-Q394 HydrophobicContact CD1-CB 4.28Å; L387-Q394 HydrophobicContact CD2-CB 4.45Å; L387-Q394 HydrophobicContact CD2-CG 3.77Å; L387-Q394 HydrophobicContact CG-CG 4.41Å; M389-Q394 HydrophobicContact CE-CB 4.35Å; M389-Q394 HydrophobicContact CE-CG 3.55Å; M389-Q394 VanDerWaalsContact CE-N 3.33Å; M389-Q394 WeakPolarHBondContact SD-CA 3.16Å; M389-Q394 HydrophobicContact SD-CB 3.67Å; M389-Q394 HydrophobicContact SD-CG 3.08Å; M389-Q394 WeakPolarHBondContact SD-CG 3.29Å; M389-Q394 PolarHBondContact SD-N 3.09Å
395	D	91.7	Very high	86.2	Confident	74 Å²	74	61.8 Å²	61.8	40%	0.396	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-65.6	-169.9	-169.7	14.3	0	0	0	109.1	I388 K390 K393	I388-D395 PolarHBondContact O-N 3.23Å; K390-D395 HydrophobicContact CB-CB 3.9Å; K393-D395 PolarHBondContact O-N 3.13Å
396	H	92.9	Very high	86.4	Confident	24 Å²	24	65.9 Å²	65.9	11%	0.111	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.9	-176.9	58.8	-81.7	0	0	0	109.4	K309 H310 I317 I388	K309-H396 WeakPolarHBondContact CE-CD2 2.73Å; K309-H396 HydrophobicContact CG-CB 4.47Å; H310-H396 WeakPolarHBondContact O-CA 3.07Å; H310-H396 WeakPolarHBondContact O-CB 3.03Å; I317-H396 HydrophobicContact CD1-CB 4.45Å; I388-H396 VanDerWaalsContact CG2-CE1 3.5Å; I388-H396 WeakPolarHBondContact CG2-CE1 3.28Å; I388-H396 PolarHBondContact N-O 3.16Å; I388-H396 PolarHBondContact O-N 2.93Å
397	I	92.6	Very high	86.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.2	179.6	-63.9	171.4	0	0	0	109	K309 H310 L312 L314 L358 I385 K386 L387 V399	K309-I397 CarbonylContact C-O 2.8Å; K309-I397 WeakPolarHBondContact CA-O 3.5Å; H310-I397 HydrophobicContact CB-CB 4.22Å; H310-I397 PolarHBondContact N-O 3.25Å; H310-I397 PolarHBondContact O-N 2.84Å; L312-I397 HydrophobicContact CD2-CG1 4.24Å; L314-I397 HydrophobicContact CD2-CD1 3.9Å; L358-I397 HydrophobicContact CD2-CD1 3.57Å; L358-I397 HydrophobicContact CD2-CG1 3.92Å; L358-I397 HydrophobicContact CD2-CG2 3.96Å; I385-I397 HydrophobicContact CG2-CG2 3.22Å; K386-I397 WeakPolarHBondContact O-CA 3.21Å; L387-I397 HydrophobicContact CD1-CG1 3.94Å; I397-V399 HydrophobicContact CG2-CG2 3.77Å
398	I	88.1	Confident	85.7	Confident	57 Å²	57	68.8 Å²	68.8	29%	0.292	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.7	175.7	-67.2	177.8	0	0	0	108.4	K386 I388	K386-I398 PolarHBondContact N-O 2.79Å; K386-I398 PolarHBondContact O-N 3.12Å; I388-I398 HydrophobicContact CD1-CD1 4.09Å; I388-I398 HydrophobicContact CG1-CD1 3.7Å; I388-I398 HydrophobicContact CG1-CG1 3.91Å
399	V	89.5	Confident	85.4	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.8	-177.3	-173.6	0	0	0	0	108.5	K307 T308 H310 R384 I385 I397 H401	K307-V399 CarbonylContact C-O 3.44Å; K307-V399 VanDerWaalsContact CA-O 3.24Å; K307-V399 WeakPolarHBondContact CA-O 3.08Å; T308-V399 PolarHBondContact N-O 2.89Å; T308-V399 PolarHBondContact O-N 2.77Å; T308-V399 WeakPolarHBondContact OG1-CB 2.52Å; H310-V399 WeakPolarHBondContact CD2-CG2 3.29Å; R384-V399 CarbonylContact O-C 3.48Å; R384-V399 WeakPolarHBondContact O-CA 3.43Å; R384-V399 WeakPolarHBondContact O-CG1 3.4Å; I385-V399 HydrophobicContact CB-CG2 4.42Å; I385-V399 HydrophobicContact CG1-CG1 3.83Å; I385-V399 HydrophobicContact CG1-CG2 4.1Å; I385-V399 HydrophobicContact CG2-CG2 3.94Å; I397-V399 HydrophobicContact CG2-CG2 3.77Å; V399-H401 WeakPolarHBondContact CG1-CE1 3.12Å; V399-H401 VanDerWaalsContact CG1-NE2 3.3Å; V399-H401 WeakPolarHBondContact CG1-NE2 3.07Å
400	I	84.6	Confident	85.2	Confident	47 Å²	47	65.7 Å²	65.7	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.2	174.7	-61.3	172.5	0	0	0	108.1	F306 K307 S383 R384	F306-I400 CarbonylContact O-C 3.56Å; K307-I400 HydrophobicContact CD-CG1 4.18Å; K307-I400 HydrophobicContact CG-CB 4.46Å; K307-I400 HydrophobicContact CG-CG1 3.75Å; K307-I400 HydrophobicContact CG-CG2 4.47Å; S383-I400 WeakPolarHBondContact CA-O 3.42Å; R384-I400 PolarHBondContact N-O 3.46Å; R384-I400 PolarHBondContact O-N 2.92Å
401	H	87.3	Confident	84.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.2	-173.9	-54.2	-86.2	0	0	0	109.5	T305 F306 T308 W371 L381 Q382 S383 V399	T305-H401 CarbonylContact C-O 2.98Å; T305-H401 VanDerWaalsContact C-O 3.31Å; T305-H401 WeakPolarHBondContact CA-O 3.1Å; T305-H401 VanDerWaalsContact CB-O 3.31Å; T305-H401 WeakPolarHBondContact CB-O 3.35Å; F306-H401 HydrophobicContact CD1-CB 4.15Å; F306-H401 HydrophobicContact CD2-CB 3.92Å; F306-H401 AromaticContact CD2-CD2 3.66Å; F306-H401 HydrophobicContact CE1-CB 3.71Å; F306-H401 HydrophobicContact CE2-CB 3.46Å; F306-H401 VanDerWaalsContact CE2-CB 3.46Å; F306-H401 AromaticContact CE2-CD2 3.27Å; F306-H401 WeakPolarHBondContact CE2-CD2 3.09Å; F306-H401 AromaticContact CE2-CG 3.47Å; F306-H401 VanDerWaalsContact CE2-CG 3.47Å; F306-H401 HydrophobicContact CG-CB 4.24Å; F306-H401 HydrophobicContact CZ-CB 3.34Å; F306-H401 AromaticContact CZ-CG 3.77Å; F306-H401 PolarHBondContact N-O 3.38Å; F306-H401 PolarHBondContact O-N 2.54Å; T308-H401 PolarHBondContact OG1-CD2 3.44Å; T308-H401 PolarHBondContact OG1-NE2 3.33Å; W371-H401 AromaticContact CH2-CE1 3.84Å; W371-H401 AromaticContact CH2-NE2 3.95Å; W371-H401 AromaticContact CZ2-CE1 3.83Å; L381-H401 HydrophobicContact CD2-CB 4.49Å; Q382-H401 WeakPolarHBondContact O-CA 3.2Å; S383-H401 PolarHBondContact OG-CE1 3.13Å; S383-H401 VanDerWaalsContact OG-CE1 3.22Å; S383-H401 PolarHBondContact OG-ND1 3.48Å; V399-H401 WeakPolarHBondContact CG1-CE1 3.12Å; V399-H401 VanDerWaalsContact CG1-NE2 3.3Å; V399-H401 WeakPolarHBondContact CG1-NE2 3.07Å
402	R	82.6	Confident	84.2	Confident	50 Å²	50	57.3 Å²	57.3	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127	167.7	179.1	-178.2	163.1	137.2	-0.9	109	P293 T305 L381 Q382 L404	P293-R402 VanDerWaalsContact CD-NE 3.32Å; P293-R402 CovalentContact CG-NH2 1.27Å; P293-R402 PolarHBondContact O-NH1 3.2Å; T305-R402 HydrophobicContact CG2-CB 4.08Å; T305-R402 HydrophobicContact CG2-CG 4.21Å; L381-R402 WeakPolarHBondContact CA-O 3.17Å; Q382-R402 HydrophobicContact CB-CB 4.38Å; Q382-R402 PolarHBondContact N-O 2.9Å; Q382-R402 PolarHBondContact O-N 3.18Å; R402-L404 PolarHBondContact O-N 2.87Å
403	Q	87	Confident	84.2	Confident	73 Å²	73	56 Å²	56	34%	0.341	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	0	179.5	-179.7	178.8	-2.5	0	0	110.1	A304 I379	A304-Q403 PolarHBondContact O-N 2.98Å; I379-Q403 HydrophobicContact CG2-CG 4.03Å
404	L	81.8	Confident	83.6	Confident	9 Å²	9	53 Å²	53	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)		0	150.4	0	-59.8	172.6	0	0	0	109.1	V368 W380 Q382 R402 E408 L412	V368-L404 HydrophobicContact CG1-CD1 3.89Å; W380-L404 HydrophobicContact CB-CB 3.63Å; W380-L404 PolarHBondContact O-N 3.2Å; Q382-L404 HydrophobicContact CB-CD1 3.75Å; Q382-L404 HydrophobicContact CB-CD2 4.1Å; Q382-L404 HydrophobicContact CB-CG 4.02Å; R402-L404 PolarHBondContact O-N 2.87Å; L404-E408 HydrophobicContact CB-CB 4.21Å; L404-E408 HydrophobicContact CD2-CB 4.49Å; L404-L412 HydrophobicContact CD1-CD1 3.63Å
405	S	83.2	Confident	82.4	Confident	48 Å²	48	53 Å²	53	34%	0.336	26%	0.261	S	S	.	.			trans	-72.8	162.2	170.2	71.6	0	0	0	0	111.1	E407 E408 G409	S405-E407 PolarHBondContact O-N 2.72Å; S405-E408 PolarHBondContact N-OE2 2.89Å; S405-E408 PolarHBondContact O-N 3.17Å; S405-E408 WeakPolarHBondContact OG-CB 3.36Å; S405-E408 VanDerWaalsContact OG-CG 3.23Å; S405-E408 WeakPolarHBondContact OG-CG 2.98Å; S405-E408 PolarHBondContact OG-N 2.28Å; S405-E408 VanDerWaalsContact OG-N 3.16Å; S405-G409 PolarHBondContact O-N 3.49Å
406	N	86	Confident	81.4	Confident	100 Å²	100	51.9 Å²	51.9	54%	0.535	25%	0.251	S	S	.	.	H	α-helix	trans	-58.6	-37.8	-179.5	-75.2	-29.3	0	0	0	111.4	W380 G409 M410	W380-N406 VanDerWaalsContact CD1-OD1 3.23Å; N406-G409 PolarHBondContact O-N 3.31Å; N406-M410 VanDerWaalsContact O-CG 3.29Å; N406-M410 WeakPolarHBondContact O-CG 3.08Å; N406-M410 PolarHBondContact O-N 3.45Å
407	E	76	Confident	79.5	Confident	146 Å²	146	56 Å²	56	68%	0.682	28%	0.278	S	S	*	.	H	α-helix	trans	-66.2	-44.7	179.8	-75.3	81.6	-162.1	0	0	111.3	S405 G409 M410 E411	S405-E407 PolarHBondContact O-N 2.72Å; E407-G409 VanDerWaalsContact C-N 3.31Å; E407-G409 PolarHBondContact O-N 2.71Å; E407-M410 PolarHBondContact O-N 2.97Å; E407-E411 WeakPolarHBondContact O-CB 2.81Å; E407-E411 PolarHBondContact O-N 2.89Å
408	E	74.4	Confident	76.9	Confident	60 Å²	60	61 Å²	61	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-43.2	179.7	-72.5	176.1	154	0	0	110.9	L404 S405 M410 E411 L412	L404-E408 HydrophobicContact CB-CB 4.21Å; L404-E408 HydrophobicContact CD2-CB 4.49Å; S405-E408 PolarHBondContact N-OE2 2.89Å; S405-E408 PolarHBondContact O-N 3.17Å; S405-E408 WeakPolarHBondContact OG-CB 3.36Å; S405-E408 VanDerWaalsContact OG-CG 3.23Å; S405-E408 WeakPolarHBondContact OG-CG 2.98Å; S405-E408 PolarHBondContact OG-N 2.28Å; S405-E408 VanDerWaalsContact OG-N 3.16Å; E408-M410 VanDerWaalsContact C-N 3.29Å; E408-M410 PolarHBondContact O-N 3.16Å; E408-E411 WeakPolarHBondContact O-CB 3.48Å; E408-E411 PolarHBondContact O-N 3.47Å; E408-L412 WeakPolarHBondContact O-CG 3.3Å; E408-L412 PolarHBondContact O-N 3.23Å
409	G	80	Confident	74.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-40	-177.8	0	0	0	0	0	111.3	S405 N406 E407 E411 L412 L413	S405-G409 PolarHBondContact O-N 3.49Å; N406-G409 PolarHBondContact O-N 3.31Å; E407-G409 VanDerWaalsContact C-N 3.31Å; E407-G409 PolarHBondContact O-N 2.71Å; G409-E411 VanDerWaalsContact C-N 3.32Å; G409-L412 PolarHBondContact O-N 2.84Å; G409-L413 WeakPolarHBondContact O-CB 3.07Å; G409-L413 PolarHBondContact O-N 1.09Å
410	M	82.6	Confident	71.8	Confident	76 Å²	76	71.6 Å²	71.6	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-69.9	-39.8	-178.3	-75.7	-66.9	95.3	0	0	110.6	W380 N406 E407 E408 L412 L413 I414	W380-M410 VanDerWaalsContact CE2-CE 3.47Å; W380-M410 HydrophobicContact CH2-CE 2.93Å; W380-M410 HydrophobicContact CZ2-CE 2.38Å; W380-M410 HydrophobicContact CZ2-SD 4.11Å; W380-M410 HydrophobicContact CZ3-CE 4.24Å; N406-M410 VanDerWaalsContact O-CG 3.29Å; N406-M410 WeakPolarHBondContact O-CG 3.08Å; N406-M410 PolarHBondContact O-N 3.45Å; E407-M410 PolarHBondContact O-N 2.97Å; E408-M410 VanDerWaalsContact C-N 3.29Å; E408-M410 PolarHBondContact O-N 3.16Å; M410-L412 PolarHBondContact O-N 2.58Å; M410-L413 HydrophobicContact CE-CB 4.26Å; M410-L413 HydrophobicContact CE-CD2 3.49Å; M410-L413 VanDerWaalsContact CE-CD2 3.49Å; M410-L413 PolarHBondContact O-N 3.09Å; M410-L413 VanDerWaalsContact O-N 3.16Å; M410-L413 HydrophobicContact SD-CD2 4.3Å; M410-I414 WeakPolarHBondContact O-CG1 2.7Å; M410-I414 PolarHBondContact O-N 3.43Å
411	E	73	Confident	69.3	Low	86 Å²	86	75.8 Å²	75.8	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.8	-171.1	177.8	177.5	0	0	111.6	E407 E408 G409 L413 I414 R415	E407-E411 WeakPolarHBondContact O-CB 2.81Å; E407-E411 PolarHBondContact O-N 2.89Å; E408-E411 WeakPolarHBondContact O-CB 3.48Å; E408-E411 PolarHBondContact O-N 3.47Å; G409-E411 VanDerWaalsContact C-N 3.32Å; E411-L413 VanDerWaalsContact C-N 3.28Å; E411-I414 PolarHBondContact O-N 3.13Å; E411-R415 WeakPolarHBondContact O-CG 2.97Å; E411-R415 PolarHBondContact O-N 2.74Å; E411-R415 IonicContact OE1-CZ 3.93Å; E411-R415 IonicContact OE1-NE 3.44Å; E411-R415 IonicContact OE1-NH1 3.72Å; E411-R415 IonicContact OE1-NH2 3.68Å; E411-R415 PolarHBondContact OE1-NH2 3.06Å
412	L	75	Confident	66.8	Low	31 Å²	31	78.4 Å²	78.4	16%	0.162	38%	0.38	C	S	.	.	H	α-helix	trans	-75.9	-31.1	-177.9	-72.6	174.5	0	0	0	110.5	V368 L404 E408 G409 M410 R415 R416	V368-L412 HydrophobicContact CB-CB 4.38Å; V368-L412 HydrophobicContact CB-CD1 4.4Å; V368-L412 HydrophobicContact CG1-CB 3.94Å; V368-L412 HydrophobicContact CG1-CD1 4.03Å; V368-L412 HydrophobicContact CG2-CB 4.08Å; V368-L412 HydrophobicContact CG2-CD1 3.52Å; V368-L412 HydrophobicContact CG2-CG 4.32Å; L404-L412 HydrophobicContact CD1-CD1 3.63Å; E408-L412 WeakPolarHBondContact O-CG 3.3Å; E408-L412 PolarHBondContact O-N 3.23Å; G409-L412 PolarHBondContact O-N 2.84Å; M410-L412 PolarHBondContact O-N 2.58Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 2.15Å; L412-R416 WeakPolarHBondContact O-CG 3.46Å; L412-R416 PolarHBondContact O-N 2.65Å; L412-R416 VanDerWaalsContact O-N 3.11Å
413	L	82.8	Confident	64.4	Low	41 Å²	41	77.1 Å²	77.1	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-66.1	0	177.7	178.9	64.7	0	0	0	110.1	W380 G409 M410 E411 R415 R416 T417	W380-L413 HydrophobicContact CH2-CB 3.97Å; W380-L413 HydrophobicContact CH2-CD2 3.88Å; W380-L413 HydrophobicContact CH2-CG 4.37Å; W380-L413 HydrophobicContact CZ3-CB 4.37Å; G409-L413 WeakPolarHBondContact O-CB 3.07Å; G409-L413 PolarHBondContact O-N 1.09Å; M410-L413 HydrophobicContact CE-CB 4.26Å; M410-L413 HydrophobicContact CE-CD2 3.49Å; M410-L413 VanDerWaalsContact CE-CD2 3.49Å; M410-L413 PolarHBondContact O-N 3.09Å; M410-L413 VanDerWaalsContact O-N 3.16Å; M410-L413 HydrophobicContact SD-CD2 4.3Å; E411-L413 VanDerWaalsContact C-N 3.28Å; L413-R415 PolarHBondContact O-N 2.86Å; L413-R415 VanDerWaalsContact O-N 3.17Å; L413-R416 WeakPolarHBondContact O-CA 3.28Å; L413-R416 WeakPolarHBondContact O-CB 3.26Å; L413-R416 PolarHBondContact O-N 2.71Å; L413-T417 PolarHBondContact O-OG1 2.97Å
414	I	74.7	Confident	62.1	Low	102 Å²	102	76.7 Å²	76.7	52%	0.523	38%	0.375	S	S	.	.	H	α-helix		0	-26.7	0	-70.4	169.8	0	0	0	109.9	M410 E411 R416 T417	M410-I414 WeakPolarHBondContact O-CG1 2.7Å; M410-I414 PolarHBondContact O-N 3.43Å; E411-I414 PolarHBondContact O-N 3.13Å; I414-R416 PolarHBondContact O-N 3.15Å; I414-T417 PolarHBondContact O-N 2.59Å; I414-T417 PolarHBondContact O-OG1 3.15Å
415	R	64.5	Low	59.5	Low	83 Å²	83	81.5 Å²	81.5	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-82.8	-17.4	-177.5	-75.1	-177.2	-174	173.6	-0.4	110.9	E411 L412 L413	E411-R415 WeakPolarHBondContact O-CG 2.97Å; E411-R415 PolarHBondContact O-N 2.74Å; E411-R415 IonicContact OE1-CZ 3.93Å; E411-R415 IonicContact OE1-NE 3.44Å; E411-R415 IonicContact OE1-NH1 3.72Å; E411-R415 IonicContact OE1-NH2 3.68Å; E411-R415 PolarHBondContact OE1-NH2 3.06Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 2.15Å; L413-R415 PolarHBondContact O-N 2.86Å; L413-R415 VanDerWaalsContact O-N 3.17Å
416	R	70.2	Confident	57.2	Low	50 Å²	50	83.5 Å²	83.5	19%	0.189	41%	0.413	C	S	.	.	H	α-helix	trans	-72.5	0	177.6	-73.9	-178.5	-174.2	179.7	-1.2	110.5	D347 Y350 V368 L412 L413 I414	D347-R416 IonicContact OD1-NH1 2.89Å; Y350-R416 VanDerWaalsContact CD1-NH1 3.34Å; V368-R416 VanDerWaalsContact CB-NE 3.31Å; V368-R416 CovalentContact CB-NH2 1.73Å; V368-R416 VanDerWaalsContact CG1-CZ 3.45Å; V368-R416 PolarHBondContact O-NE 2.79Å; V368-R416 PolarHBondContact O-NH1 3.19Å; V368-R416 CovalentContact O-NH2 1.54Å; V368-R416 PolarHBondContact O-NH2 2.59Å; L412-R416 WeakPolarHBondContact O-CG 3.46Å; L412-R416 PolarHBondContact O-N 2.65Å; L412-R416 VanDerWaalsContact O-N 3.11Å; L413-R416 WeakPolarHBondContact O-CA 3.28Å; L413-R416 WeakPolarHBondContact O-CB 3.26Å; L413-R416 PolarHBondContact O-N 2.71Å; I414-R416 PolarHBondContact O-N 3.15Å
417	T	54.4	Low	54.5	Low	112 Å²	112	84.8 Å²	84.8	69%	0.687	42%	0.42	S	S	*	.	H	α-helix		0	0	0	6.9	0	0	0	0	109.7	L413 I414	L413-T417 PolarHBondContact O-OG1 2.97Å; I414-T417 PolarHBondContact O-N 2.59Å; I414-T417 PolarHBondContact O-OG1 3.15Å
418	D	36.1	Very low	52.4	Low	105 Å²	105	82.6 Å²	82.6	56%	0.561	41%	0.41	S	S	*	.	S	Bend		0	85.8	0	-78.6	-15.9	0	0	0	110	Y420	D418-Y420 WeakPolarHBondContact O-CA 3.34Å; D418-Y420 PolarHBondContact O-N 3.31Å
419	E	36.5	Very low	50.4	Low	205 Å²	205	85.5 Å²	85.5	96%	0.958	43%	0.433	S	S	*	.	S	Bend	trans	52.9	0	153.6	-89.2	-178.6	-177.9	0	0	111.4
420	Y	34.4	Very low	48.2	Very low	79 Å²	79	92.1 Å²	92.1	31%	0.31	46%	0.464	S	S	.	.				0	0	0	-102.7	-86.6	0	0	0	108.8	Q208 D418 L422	Q208-Y420 VanDerWaalsContact CB-OH 3.28Å; Q208-Y420 WeakPolarHBondContact CB-OH 3.15Å; Q208-Y420 HydrophobicContact CG-CE1 4.48Å; Q208-Y420 WeakPolarHBondContact CG-OH 3.48Å; Q208-Y420 PolarHBondContact NE2-OH 3.44Å; Q208-Y420 PolarHBondContact OE1-OH 2.65Å; D418-Y420 WeakPolarHBondContact O-CA 3.34Å; D418-Y420 PolarHBondContact O-N 3.31Å; Y420-L422 PolarHBondContact O-N 3.22Å; Y420-L422 VanDerWaalsContact O-N 3.15Å
421	K	32.9	Very low	45.9	Very low	134 Å²	134	94 Å²	94	58%	0.583	48%	0.48	S	S	*	.				0	53.7	0	-96	-178.7	-175.5	-172.3	0	111.5	P423	K421-P423 VanDerWaalsContact O-N 3.16Å
422	L	35.5	Very low	43.9	Very low	57 Å²	57	97.4 Å²	97.4	30%	0.298	50%	0.5	S	S	.	.			trans	-30.9	114.7	165.8	-74.7	159.7	0	0	0	111.1	T210 Y420 F424	T210-L422 HydrophobicContact CG2-CD2 4.46Å; T210-L422 WeakPolarHBondContact OG1-CD2 3.12Å; Y420-L422 PolarHBondContact O-N 3.22Å; Y420-L422 VanDerWaalsContact O-N 3.15Å; L422-F424 HydrophobicContact CB-CD2 3.98Å; L422-F424 HydrophobicContact CB-CE2 4.4Å; L422-F424 WeakPolarHBondContact O-CA 3.5Å; L422-F424 PolarHBondContact O-N 2.67Å
423	P	31.1	Very low	41.8	Very low	22 Å²	22	102.6 Å²	102.6	14%	0.143	53%	0.527	C	S	.	.	S	Bend	trans	-36	52.9	178.7	17.2	4.1	0	0	0	111.9	D170 T210 K421	D170-P423 HydrophobicContact CB-CB 4.45Å; D170-P423 WeakPolarHBondContact OD1-CB 3.48Å; T210-P423 WeakPolarHBondContact O-CG 3.44Å; K421-P423 VanDerWaalsContact O-N 3.16Å
424	F	37.9	Very low	39.2	Very low	65 Å²	65	108.6 Å²	108.6	29%	0.285	56%	0.56	S	S	.	*	S	Bend	trans	-115.8	106	153.6	-64.7	-77.5	0	0	0	109.9	L422 L426	L422-F424 HydrophobicContact CB-CD2 3.98Å; L422-F424 HydrophobicContact CB-CE2 4.4Å; L422-F424 WeakPolarHBondContact O-CA 3.5Å; L422-F424 PolarHBondContact O-N 2.67Å; F424-L426 PolarHBondContact O-N 3.46Å
425	P	28.1	Very low	37.1	Very low	109 Å²	109	107.1 Å²	107.1	71%	0.708	57%	0.569	S	S	*	*			trans	-36.1	74.8	-178.9	9.1	7.8	0	0	0	111.7	L427	P425-L427 PolarHBondContact O-N 2.66Å
426	L	34.2	Very low	35.5	Very low	90 Å²	90	112.2 Å²	112.2	47%	0.471	60%	0.597	S	S	.	*			trans	-58.1	60.4	154	-90.7	145.7	0	0	0	110.3	K353 F424 E428	K353-L426 HydrophobicContact CD-CD2 3.68Å; K353-L426 CovalentContact NZ-CD2 1.69Å; F424-L426 PolarHBondContact O-N 3.46Å; L426-E428 PolarHBondContact O-N 3Å
427	L	30.9	Very low	33.7	Very low	127 Å²	127	119.1 Å²	119.1	67%	0.665	63%	0.631	S	S	*	*			trans	16.4	0	156.3	-78.7	152.8	0	0	0	111.1	P425	P425-L427 PolarHBondContact O-N 2.66Å
428	E	31.8	Very low	32.5	Very low	101 Å²	101	121.1 Å²	121.1	47%	0.472	64%	0.637	S	S	.	*				0	126.9	0	-73.7	-162.8	172	0	0	112	L426 E430	L426-E428 PolarHBondContact O-N 3Å; E428-E430 HydrophobicContact CB-CB 4.2Å; E428-E430 HydrophobicContact CB-CG 4.36Å; E428-E430 PolarHBondContact O-N 2.67Å; E428-E430 VanDerWaalsContact OE2-OE2 3.11Å
429	P	31.8	Very low	32.1	Very low	120 Å²	120	121.1 Å²	121.1	78%	0.779	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	0	154.9	13.2	4.9	0	0	0	111.8
430	E	34.5	Very low	31.7	Very low	140 Å²	140	117.7 Å²	117.7	65%	0.654	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-69.4	-173.2	178	0	0	109.4	E428	E428-E430 HydrophobicContact CB-CB 4.2Å; E428-E430 HydrophobicContact CB-CG 4.36Å; E428-E430 PolarHBondContact O-N 2.67Å; E428-E430 VanDerWaalsContact OE2-OE2 3.11Å
431	T	33.1	Very low	31.4	Very low	115 Å²	115	119.7 Å²	119.7	71%	0.706	66%	0.658	S	S	*	*	S	Bend		0	0	0	41.8	0	0	0	0	109
432	L	31.8	Very low	31	Very low	158 Å²	158	120.4 Å²	120.4	83%	0.827	67%	0.668	S	S	*	*	S	Bend		0	38.6	0	-74.7	175.1	0	0	0	109.6
433	L	30.3	Very low	30.7	Very low	139 Å²	139	124 Å²	124	73%	0.728	69%	0.688	S	S	*	*			trans	-134.4	60.9	164.1	-71.4	173.8	0	0	0	109.7
434	N	27.7	Very low	30.4	Very low	168 Å²	168	129.8 Å²	129.8	90%	0.898	72%	0.718	S	S	*	*			trans	-148.8	60.7	150.5	-74.8	-9.7	0	0	0	109.7
435	G	31.2	Very low	30	Very low	70 Å²	70	134.9 Å²	134.9	72%	0.722	75%	0.747	S	S	*	*	S	Bend	trans	-141	0	143.2	0	0	0	0	0	110.2	E437	G435-E437 PolarHBondContact O-N 3.33Å
436	E	30.9	Very low	29.9	Very low	190 Å²	190	137 Å²	137	89%	0.888	75%	0.747	S	S	*	*				0	83.4	0	-77	-172.4	170.9	0	0	111.4
437	E	32.7	Very low	29.7	Very low	195 Å²	195	141 Å²	141	91%	0.911	77%	0.765	S	S	*	*				-145.4	0	126.8	-101.5	180	179.4	0	0	109.5	G435	G435-E437 PolarHBondContact O-N 3.33Å
438	L	29	Very low	29.5	Very low	155 Å²	155	140.7 Å²	140.7	81%	0.812	76%	0.764	S	S	*	*				0	0	0	-109.3	111.1	0	0	0	111.5
439	T	27.6	Very low	29.4	Very low	105 Å²	105	143.1 Å²	143.1	64%	0.644	78%	0.779	S	S	*	*				0	0	0	52.9	0	0	0	0	109.2
440	T	27.6	Very low	29.1	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	78%	0.781	S	S	*	*				0	101.7	0	5.1	0	0	0	0	109
441	C	28.9	Very low	28.8	Very low	121 Å²	121	142.3 Å²	142.3	82%	0.818	78%	0.78	S	S	*	*				141.3	107.1	106	22	0	0	0	0	109.2
442	N	25.2	Very low	28.5	Very low	149 Å²	149	142.9 Å²	142.9	80%	0.797	79%	0.789	S	S	*	*				22.9	113.9	110.4	-90.3	-6.4	0	0	0	111.9
443	N	28.2	Very low	28.4	Very low	134 Å²	134	144.1 Å²	144.1	72%	0.717	79%	0.788	S	S	*	*				151.2	110.3	117.5	-72.3	-21.6	0	0	0	109.6
444	N	25.7	Very low	28.4	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	79%	0.788	S	S	*	*				91.3	97.8	117.3	-77.8	-18.3	0	0	0	110.8
445	L	29.5	Very low	28.3	Very low	172 Å²	172	143.7 Å²	143.7	90%	0.901	79%	0.791	S	S	*	*				177.6	99.2	129	-86.7	155.9	0	0	0	109
446	H	26.1	Very low	28.1	Very low	154 Å²	154	143.2 Å²	143.2	71%	0.713	79%	0.785	S	S	*	*				5.4	110.4	117.9	-156.9	-106.7	0	0	0	111.5	D448	H446-D448 IonicContact CE1-OD1 3.8Å
447	M	28.8	Very low	27.9	Very low	173 Å²	173	143 Å²	143	85%	0.852	78%	0.784	S	S	*	*			trans	-166.5	0	140.1	-90.4	-128.3	-118.2	0	0	109
448	D	27.2	Very low	27.8	Very low	121 Å²	121	142.8 Å²	142.8	65%	0.647	79%	0.786	S	S	*	*				0	0	0	-83.1	-20.8	0	0	0	110.8	H446	H446-D448 IonicContact CE1-OD1 3.8Å
449	I	30.6	Very low	27.7	Very low	153 Å²	153	144.5 Å²	144.5	79%	0.785	79%	0.787	S	S	*	*	S	Bend		0	100.1	0	-56.3	173	0	0	0	110.2
450	N	24.5	Very low	27.7	Very low	151 Å²	151	146 Å²	146	81%	0.807	79%	0.791	S	S	*	*			trans	135.4	84.5	145.8	-84.2	-12.1	0	0	0	109.7
451	S	28.2	Very low	27.9	Very low	91 Å²	91	150.4 Å²	150.4	64%	0.636	80%	0.799	S	S	*	*			trans	-150.9	0	158.9	60.7	0	0	0	0	109.3
452	S	26.5	Very low	27.7	Very low	127 Å²	127	151.5 Å²	151.5	89%	0.888	80%	0.797	S	S	*	*				0	96.3	0	-63	0	0	0	0	111.6
453	F	29.8	Very low	27.9	Very low	184 Å²	184	151.1 Å²	151.1	81%	0.807	79%	0.79	S	S	*	*			trans	-105.7	131.6	168.4	-85.1	-78.6	0	0	0	109.5
454	P	29.9	Very low	28.1	Very low	114 Å²	114	151.6 Å²	151.6	74%	0.74	79%	0.788	S	S	*	*			trans	-80	0	-137.3	26.7	-0.5	0	0	0	111.9
455	I	26.7	Very low	28.2	Very low	185 Å²	185	152.6 Å²	152.6	95%	0.949	79%	0.787	S	S	*	*				0	0	0	-75	154.5	0	0	0	109.6
456	G	26	Very low	28.2	Very low	59 Å²	59	151.8 Å²	151.8	61%	0.608	78%	0.782	S	S	*	*				0	0	0	0	0	0	0	0	110.4
457	Q	27.5	Very low	28.2	Very low	186 Å²	186	152.6 Å²	152.6	87%	0.869	79%	0.791	S	S	*	*				0	81.6	0	-84.5	-169.3	16.4	0	0	109.2
458	M	29.8	Very low	28.1	Very low	191 Å²	191	147.3 Å²	147.3	94%	0.941	78%	0.781	S	S	*	*			trans	-160.6	87.6	130.3	-84.4	-173.6	79.6	0	0	109
459	K	28.3	Very low	28.3	Very low	191 Å²	191	146.7 Å²	146.7	83%	0.83	79%	0.786	S	S	*	*				18.9	100.6	112.4	-84.9	-177.1	-178.6	-179.7	0	111.5
460	N	27.1	Very low	28.3	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	79%	0.786	S	S	*	*				103.1	88.3	114	-89.9	-12.2	0	0	0	110.7
461	F	30.7	Very low	28.6	Very low	223 Å²	223	145.1 Å²	145.1	98%	0.978	78%	0.779	S	S	*	*			trans	-152.4	85.2	134.8	-91.1	-81.6	0	0	0	108.9
462	D	25.8	Very low	28.8	Very low	145 Å²	145	148 Å²	148	78%	0.775	78%	0.782	S	S	*	*			trans	-67.6	127.7	143.9	-86.1	-20.5	0	0	0	110.9
463	H	30.2	Very low	29.1	Very low	140 Å²	140	149.7 Å²	149.7	65%	0.648	77%	0.774	S	S	*	*				126.8	115.4	114.3	-105.8	48.1	0	0	0	109.6
464	H	31.3	Very low	28.9	Very low	145 Å²	145	147 Å²	147	67%	0.671	77%	0.767	S	S	*	*				128	109.9	111.2	-89.5	-68.7	0	0	0	109.7
465	H	26.9	Very low	29	Very low	163 Å²	163	152 Å²	152	76%	0.755	77%	0.773	S	S	*	*				57.2	0	109.8	-103.9	-70.2	0	0	0	111
466	I	30.1	Very low	29.2	Very low	155 Å²	155	146.7 Å²	146.7	80%	0.795	76%	0.763	S	S	*	*				0	99.1	0	-66.6	-180	0	0	0	108
467	L	26.2	Very low	29.6	Very low	170 Å²	170	148.3 Å²	148.3	89%	0.89	77%	0.771	S	S	*	*				-8.1	111.7	113.6	-106.1	117.8	0	0	0	111.5
468	G	26.3	Very low	29.7	Very low	62 Å²	62	146.2 Å²	146.2	64%	0.639	77%	0.766	S	S	*	*				84.8	0	115.2	0	0	0	0	0	111.1
469	S	32.1	Very low	30	Very low	109 Å²	109	143 Å²	143	76%	0.762	76%	0.757	S	S	*	*				0	0	0	51.6	0	0	0	0	109.4
470	N	29.8	Very low	30.2	Very low	145 Å²	145	142.4 Å²	142.4	78%	0.775	75%	0.754	S	S	*	*				0	117.4	0	-76.8	-14.9	0	0	0	110.7
471	D	32.1	Very low	30.7	Very low	126 Å²	126	140.3 Å²	140.3	67%	0.674	75%	0.75	S	S	*	*				112.7	120.5	114.7	-81.1	-19.1	0	0	0	109.4
472	Q	32.2	Very low	30.9	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	74%	0.74	S	S	*	*				92.6	113.3	108.4	-90.7	178.7	10.5	0	0	110
473	K	31.5	Very low	31.5	Very low	163 Å²	163	136.5 Å²	136.5	71%	0.709	74%	0.74	S	S	*	*				104.2	111.9	112	-96.5	-177.5	-177	-178.8	0	109.8
474	L	27.5	Very low	31.5	Very low	128 Å²	128	139.3 Å²	139.3	67%	0.67	75%	0.75	S	S	*	*				96.7	118.2	105.2	-92	151.2	0	0	0	109.7
475	Y	31.7	Very low	31.6	Very low	220 Å²	220	140.3 Å²	140.3	86%	0.863	76%	0.759	S	S	*	*				153.4	0	113.8	-101.8	-84.5	0	0	0	109
476	G	30.7	Very low	31.5	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	76%	0.759	S	S	*	*				0	115.2	0	0	0	0	0	0	111.2
477	A	34.6	Very low	31.6	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	76%	0.76	S	S	*	*				116	116.5	100.8	0	0	0	0	0	109.4
478	N	29.3	Very low	31.6	Very low	142 Å²	142	136 Å²	136	76%	0.759	75%	0.752	S	S	*	*				81.7	122	93.5	-99.2	-22.6	0	0	0	110.7
479	V	35	Very low	31.8	Very low	124 Å²	124	138 Å²	138	75%	0.752	76%	0.755	S	S	*	*				154.4	0	106.6	176.6	0	0	0	0	108
480	K	34	Very low	31.6	Very low	178 Å²	178	142 Å²	142	77%	0.774	76%	0.759	S	S	*	*				0	124.9	0	-86.7	-175.3	-179	179.5	0	110.5
481	S	37.2	Very low	31.7	Very low	93 Å²	93	143.6 Å²	143.6	65%	0.65	76%	0.761	S	S	*	*				118.8	121.7	90.7	56.6	0	0	0	0	109.8
482	D	35	Very low	31.5	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	77%	0.765	S	S	*	*				101.4	126.6	88.5	-84.5	-16.7	0	0	0	109.8
483	D	37.5	Very low	31.6	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	77%	0.767	S	S	*	*				151.2	0	102.6	-84.4	-13.9	0	0	0	109.3
484	K	30.7	Very low	31.4	Very low	198 Å²	198	141.9 Å²	141.9	86%	0.861	77%	0.77	S	S	*	*				0	122	0	-90.8	-176	-176.9	-175.3	0	111.3
485	I	33	Very low	31.5	Very low	167 Å²	167	143.2 Å²	143.2	86%	0.856	77%	0.773	S	S	*	*				180	0	119.4	-63.7	174.2	0	0	0	107.9
486	N	25.5	Very low	31.3	Very low	142 Å²	142	141.7 Å²	141.7	76%	0.759	77%	0.771	S	S	*	*				0	0	0	-90.2	-18.4	0	0	0	111.8
487	L	30.8	Very low	31	Very low	155 Å²	155	143.4 Å²	143.4	81%	0.812	77%	0.772	S	S	*	*				0	0	0	-99.1	126.9	0	0	0	109.2
488	S	27.6	Very low	30.6	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	77%	0.767	S	S	*	*				0	0	0	73.4	0	0	0	0	110.4
489	S	30.1	Very low	30.6	Very low	102 Å²	102	147 Å²	147	71%	0.713	78%	0.775	S	S	*	*				0	119.8	0	75.5	0	0	0	0	109.9
490	K	27.9	Very low	30.2	Very low	193 Å²	193	147.9 Å²	147.9	84%	0.839	78%	0.776	S	S	*	*				97.9	0	103.6	-87.7	-174	-176.4	-179.8	0	110.1
491	H	32.6	Very low	30.1	Very low	179 Å²	179	147.3 Å²	147.3	83%	0.829	78%	0.78	S	S	*	*				0	0	0	-117.9	-73.6	0	0	0	109.3
492	T	27.2	Very low	29.7	Very low	124 Å²	124	148.3 Å²	148.3	76%	0.761	79%	0.787	S	S	*	*				0	0	0	53.5	0	0	0	0	111.1
493	P	35.2	Very low	29.4	Very low	112 Å²	112	145.6 Å²	145.6	73%	0.727	79%	0.792	S	S	*	*				0	0	0	33.9	-4.6	0	0	0	112
494	E	25.8	Very low	28.9	Very low	168 Å²	168	149.2 Å²	149.2	79%	0.785	80%	0.795	S	S	*	*				0	0	0	-74.8	-159.2	173.3	0	0	109.4
495	H	31	Very low	29	Very low	155 Å²	155	146.4 Å²	146.4	72%	0.718	79%	0.794	S	S	*	*				0	119.5	0	-89.5	-83.3	0	0	0	109.4
496	F	25.9	Very low	28.8	Very low	188 Å²	188	145.9 Å²	145.9	83%	0.825	79%	0.788	S	S	*	*				66.6	0	117.3	-92.5	-82.5	0	0	0	110.2
497	S	25.4	Very low	29	Very low	109 Å²	109	144.2 Å²	144.2	76%	0.762	79%	0.787	S	S	*	*				0	126.6	0	63.6	0	0	0	0	109.6
498	S	25.8	Very low	28.9	Very low	97 Å²	97	147.5 Å²	147.5	68%	0.678	79%	0.789	S	S	*	*				73.2	0	108.7	128.9	0	0	0	0	110.5
499	F	29.4	Very low	29	Very low	213 Å²	213	150.7 Å²	150.7	93%	0.934	79%	0.792	S	S	*	*				0	114.9	0	-104.8	-86.3	0	0	0	109
500	D	27.1	Very low	29	Very low	144 Å²	144	150.9 Å²	150.9	77%	0.77	79%	0.793	S	S	*	*				-0.7	0	115.8	-90.4	-16.1	0	0	0	111.7
501	I	31.6	Very low	29.1	Very low	166 Å²	166	147 Å²	147	85%	0.851	79%	0.786	S	S	*	*				0	0	0	-64.9	173.1	0	0	0	108.3
502	S	28.5	Very low	28.8	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	78%	0.777	S	S	*	*				0	122.8	0	79.9	0	0	0	0	110.6
503	G	29.6	Very low	28.9	Very low	85 Å²	85	143.7 Å²	143.7	88%	0.876	77%	0.769	S	S	*	*				-149.3	99.4	125.7	0	0	0	0	0	110.2
504	R	25.9	Very low	28.6	Very low	223 Å²	223	144 Å²	144	84%	0.842	76%	0.763	S	S	*	*				17.2	118.4	122.4	-123.8	-177.6	-150.5	161	0.9	111.7
505	V	32.3	Very low	28.7	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	76%	0.757	S	S	*	*				-168.8	0	123.1	177.5	0	0	0	0	107.8
506	H	29.1	Very low	28.5	Very low	155 Å²	155	140.8 Å²	140.8	72%	0.718	76%	0.756	S	S	*	*				0	117.7	0	-80.6	85.8	0	0	0	110.9
507	S	30.9	Very low	28.6	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	76%	0.757	S	S	*	*				151.3	0	108	118.4	0	0	0	0	109.3
508	R	28.8	Very low	28.7	Very low	223 Å²	223	139.3 Å²	139.3	84%	0.842	76%	0.756	S	S	*	*				0	113.3	0	-83.6	-174.3	174.4	170.3	-0.5	110.2
509	H	28.5	Very low	28.9	Very low	169 Å²	169	141.6 Å²	141.6	78%	0.782	76%	0.756	S	S	*	*				105.1	114.2	99.6	-93.9	-44.7	0	0	0	109.8
510	S	29.6	Very low	28.8	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	73%	0.731	S	S	*	*				131.1	0	97.6	134	0	0	0	0	109.4
511	T	30.1	Very low	28.8	Very low	111 Å²	111	130.7 Å²	130.7	68%	0.681	70%	0.704	S	S	*	*				0	132.4	0	39.1	0	0	0	0	111.3
512	D	27.9	Very low	28.6	Very low	120 Å²	120	130.3 Å²	130.3	64%	0.642	69%	0.692	S	S	*	*				133.9	130	102.4	-79.5	-20.7	0	0	0	109.5
513	I	28	Very low	28.6	Very low	115 Å²	115	128.2 Å²	128.2	59%	0.59	69%	0.688	S	S	*	*				111.4	125.6	93.9	-66	176.9	0	0	0	108.7
514	I	29.5	Very low	28.6	Very low	118 Å²	118	132.6 Å²	132.6	61%	0.605	69%	0.69	S	S	*	*				102.5	132.4	86.3	-66.6	178.2	0	0	0	108.6
515	N	28.1	Very low	28.7	Very low	122 Å²	122	128.9 Å²	128.9	65%	0.652	69%	0.692	S	S	*	*				92.7	132.2	87.2	-87.9	-19.9	0	0	0	110.5
516	N	26.8	Very low	28.4	Very low	133 Å²	133	133.6 Å²	133.6	71%	0.711	69%	0.694	S	S	*	*				128.6	127	100.4	-93.8	-12.7	0	0	0	109.9
517	C	28.2	Very low	28.3	Very low	124 Å²	124	131 Å²	131	84%	0.838	69%	0.694	S	S	*	*				166.1	0	110.5	-101.8	0	0	0	0	108.8
518	I	28.1	Very low	28.2	Very low	143 Å²	143	131.3 Å²	131.3	73%	0.733	69%	0.691	S	S	*	*				0	126.2	0	-64.6	175.6	0	0	0	110
519	Q	28.6	Very low	28.3	Very low	145 Å²	145	126.2 Å²	126.2	68%	0.678	69%	0.685	S	S	*	*				117.9	0	98.3	-89	-136.9	0.1	0	0	109.9	L546	Q519-L546 VanDerWaalsContact C-CG 3.43Å; Q519-L546 HydrophobicContact CB-CD1 4.32Å; Q519-L546 HydrophobicContact CB-CD2 4.42Å; Q519-L546 WeakPolarHBondContact O-CD1 3.15Å
520	M	26.9	Very low	28.2	Very low	83 Å²	83	124.9 Å²	124.9	41%	0.409	68%	0.684	S	S	.	*				0	0	0	-99.2	-144.9	-121.4	0	0	110	L545 L546 E547	M520-L545 HydrophobicContact CB-CD2 4.27Å; M520-L545 CarbonylContact O-C 3.24Å; M520-L545 VanDerWaalsContact O-C 3.24Å; M520-L545 WeakPolarHBondContact O-CA 3.44Å; M520-L546 CovalentContact CA-CG 1.13Å; M520-L546 HydrophobicContact CB-CB 2.32Å; M520-L546 HydrophobicContact CB-CD1 1.6Å; M520-L546 CovalentContact CB-CD2 1.01Å; M520-L546 HydrophobicContact CB-CD2 1.01Å; M520-L546 CovalentContact CB-CG 1Å; M520-L546 HydrophobicContact CB-CG 1Å; M520-L546 HydrophobicContact CE-CD2 3.36Å; M520-L546 HydrophobicContact CG-CB 3.45Å; M520-L546 VanDerWaalsContact CG-CB 3.45Å; M520-L546 HydrophobicContact CG-CD1 3.08Å; M520-L546 CovalentContact CG-CD2 0.93Å; M520-L546 HydrophobicContact CG-CD2 0.93Å; M520-L546 HydrophobicContact CG-CG 2.32Å; M520-L546 CovalentContact N-CD1 1.9Å; M520-L546 WeakPolarHBondContact O-CA 3.37Å; M520-L546 WeakPolarHBondContact O-CB 3.19Å; M520-L546 WeakPolarHBondContact O-CD1 3.47Å; M520-L546 WeakPolarHBondContact O-CG 3.47Å; M520-L546 PolarHBondContact O-N 2.83Å; M520-L546 HydrophobicContact SD-CB 3.93Å; M520-L546 HydrophobicContact SD-CD1 4.29Å; M520-L546 HydrophobicContact SD-CD2 1.98Å; M520-L546 WeakPolarHBondContact SD-CD2 3.46Å; M520-L546 HydrophobicContact SD-CG 3.45Å; M520-L546 WeakPolarHBondContact SD-CG 3.2Å; M520-E547 HydrophobicContact CB-CB 4.49Å; M520-E547 HydrophobicContact CB-CG 3.8Å; M520-E547 HydrophobicContact CE-CG 4.42Å; M520-E547 WeakPolarHBondContact CE-OE1 3.43Å; M520-E547 HydrophobicContact CG-CB 4.24Å; M520-E547 HydrophobicContact CG-CG 3.08Å; M520-E547 WeakPolarHBondContact CG-OE1 3.22Å; M520-E547 HydrophobicContact SD-CB 3.88Å; M520-E547 HydrophobicContact SD-CG 2.81Å; M520-E547 WeakPolarHBondContact SD-CG 3.28Å; M520-E547 CovalentContact SD-OE1 1.63Å
521	E	28.3	Very low	28.2	Very low	45 Å²	45	126 Å²	126	21%	0.21	68%	0.681	C	S	.	*				0	0	0	-103.1	-174.8	175.8	0	0	110.9	L545 L546 E547 H548	E521-L545 CarbonylContact C-O 3.47Å; E521-L545 CarbonylContact O-C 1.74Å; E521-L545 WeakPolarHBondContact O-CA 2.98Å; E521-L546 CarbonylContact C-O 3.56Å; E521-L546 WeakPolarHBondContact CA-O 2.89Å; E521-L546 CovalentContact CB-C 0.81Å; E521-L546 HydrophobicContact CB-CB 2.7Å; E521-L546 HydrophobicContact CB-CD2 3.94Å; E521-L546 HydrophobicContact CB-CG 3.48Å; E521-L546 VanDerWaalsContact CB-CG 3.48Å; E521-L546 WeakPolarHBondContact CB-O 3.33Å; E521-L546 HydrophobicContact CG-CB 3.86Å; E521-L546 HydrophobicContact CG-CD2 4.25Å; E521-L546 HydrophobicContact CG-CG 4.21Å; E521-L546 WeakPolarHBondContact CG-O 3Å; E521-L546 CovalentContact N-CA 1.55Å; E521-L546 CarbonylContact O-C 3.1Å; E521-L546 WeakPolarHBondContact O-CA 3.42Å; E521-L546 WeakPolarHBondContact O-CB 3.34Å; E521-L546 CovalentContact O-N 1.12Å; E521-L546 PolarHBondContact O-N 2.65Å; E521-E547 HydrophobicContact CB-CB 2.17Å; E521-E547 HydrophobicContact CB-CG 3.17Å; E521-E547 CovalentContact CB-N 0.89Å; E521-E547 WeakPolarHBondContact CB-O 3.3Å; E521-E547 CovalentContact CD-CA 1.29Å; E521-E547 CovalentContact CD-CB 0.85Å; E521-E547 CovalentContact CG-CA 0.41Å; E521-E547 HydrophobicContact CG-CB 1.69Å; E521-E547 HydrophobicContact CG-CG 2.53Å; E521-E547 CovalentContact CG-N 1.36Å; E521-E547 WeakPolarHBondContact CG-O 3.41Å; E521-E547 PolarHBondContact O-N 3.5Å; E521-E547 WeakPolarHBondContact OE1-CA 3.48Å; E521-E547 WeakPolarHBondContact OE1-CB 3.45Å; E521-E547 WeakPolarHBondContact OE1-CG 3.38Å; E521-E547 WeakPolarHBondContact OE2-CA 3.08Å; E521-E547 CovalentContact OE2-CB 0.93Å; E521-E547 WeakPolarHBondContact OE2-CB 3.24Å; E521-E547 WeakPolarHBondContact OE2-CG 2.62Å; E521-E547 PolarHBondContact OE2-N 3.2Å; E521-H548 VanDerWaalsContact CD-CA 3.42Å; E521-H548 HydrophobicContact CG-CB 4.04Å; E521-H548 WeakPolarHBondContact OE1-CA 2.97Å; E521-H548 WeakPolarHBondContact OE1-CB 3.32Å; E521-H548 IonicContact OE1-CD2 3.79Å; E521-H548 PolarHBondContact OE1-CD2 3.19Å; E521-H548 IonicContact OE1-CE1 2.99Å; E521-H548 PolarHBondContact OE1-CE1 3.12Å; E521-H548 CovalentContact OE1-CG 1.78Å; E521-H548 IonicContact OE1-CG 3.89Å; E521-H548 PolarHBondContact OE1-N 3.35Å; E521-H548 IonicContact OE1-ND1 2.86Å; E521-H548 PolarHBondContact OE1-ND1 3.44Å; E521-H548 IonicContact OE1-NE2 1.94Å; E521-H548 PolarHBondContact OE1-NE2 2.99Å; E521-H548 IonicContact OE2-CD2 3.36Å; E521-H548 PolarHBondContact OE2-CD2 2.8Å; E521-H548 IonicContact OE2-CG 3.55Å
522	R	27.5	Very low	28.3	Very low	157 Å²	157	131.5 Å²	131.5	59%	0.592	69%	0.692	S	S	*	*				0	126	0	-81.5	-172	168.6	156.2	1.2	110	L546 E547 H548 C549	R522-L546 VanDerWaalsContact N-C 3.31Å; R522-E547 WeakPolarHBondContact CB-O 2.97Å; R522-E547 WeakPolarHBondContact CD-O 2.48Å; R522-E547 VanDerWaalsContact CG-N 3.31Å; R522-E547 WeakPolarHBondContact CG-O 3.21Å; R522-E547 VanDerWaalsContact N-N 3.11Å; R522-E547 PolarHBondContact NE-O 3.31Å; R522-E547 PolarHBondContact NH1-O 2.85Å; R522-H548 WeakPolarHBondContact CD-O 3.33Å; R522-H548 VanDerWaalsContact CG-N 3.32Å; R522-H548 CovalentContact CZ-O 1.09Å; R522-H548 PolarHBondContact NE-O 2.92Å; R522-H548 VanDerWaalsContact NH1-N 3.2Å; R522-H548 PolarHBondContact NH1-O 3.17Å; R522-H548 CovalentContact NH2-O 0.58Å; R522-H548 PolarHBondContact NH2-O 3.02Å; R522-C549 VanDerWaalsContact NH2-CB 3.3Å; R522-C549 PolarHBondContact NH2-O 3.36Å
523	G	27.9	Very low	28.4	Very low	70 Å²	70	128.6 Å²	128.6	72%	0.722	69%	0.689	S	S	*	*				126.6	106.1	109.8	0	0	0	0	0	110.2
524	I	28.8	Very low	28.4	Very low	177 Å²	177	129.2 Å²	129.2	91%	0.908	69%	0.694	S	S	*	*			trans	-123.4	0	151.5	-64.7	175.3	0	0	0	108.4
525	T	28.9	Very low	28.7	Very low	144 Å²	144	128.7 Å²	128.7	88%	0.883	69%	0.692	S	S	*	*				0	0	0	49.3	0	0	0	0	109.8
526	R	26.9	Very low	28.8	Very low	238 Å²	238	131.2 Å²	131.2	90%	0.898	70%	0.698	S	S	*	*				0	0	0	-102.9	-179.5	-175.6	-173.1	-0.5	110.9
527	S	26.3	Very low	28.8	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	70%	0.699	S	S	*	*				0	0	0	59.2	0	0	0	0	109.7
528	T	29.6	Very low	28.7	Very low	114 Å²	114	134 Å²	134	70%	0.699	70%	0.699	S	S	*	*				0	120.6	0	47	0	0	0	0	109.3
529	T	29	Very low	28.5	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	70%	0.702	S	S	*	*				87	122.7	104.9	54.1	0	0	0	0	109.7
530	N	27.3	Very low	28.5	Very low	140 Å²	140	128.9 Å²	128.9	75%	0.749	70%	0.701	S	S	*	*				86.5	117.3	107.2	-84	-10	0	0	0	110.6
531	N	30.5	Very low	28.5	Very low	128 Å²	128	132.6 Å²	132.6	68%	0.684	72%	0.722	S	S	*	*				120.9	111.6	114.2	-89.9	-12.2	0	0	0	110.2
532	Y	30.5	Very low	28.5	Very low	228 Å²	228	137 Å²	137	89%	0.894	75%	0.747	S	S	*	*				86	114.4	109	-100.3	-85.1	0	0	0	109.8
533	G	30.3	Very low	28.5	Very low	58 Å²	58	134.2 Å²	134.2	60%	0.598	75%	0.748	S	S	*	*				101.9	103.4	107.5	0	0	0	0	0	110.5
534	D	28.3	Very low	28.5	Very low	128 Å²	128	137.2 Å²	137.2	68%	0.684	75%	0.747	S	S	*	*				96.8	0	108.4	-82.4	-16.1	0	0	0	110.1	F536	D534-F536 WeakPolarHBondContact O-CD2 3.16Å
535	D	35.8	Very low	28.5	Very low	107 Å²	107	134.1 Å²	134.1	57%	0.572	73%	0.732	S	S	*	*				0	78.7	0	-85.6	-16.8	0	0	0	109.8
536	F	30.5	Very low	28.5	Very low	175 Å²	175	128.3 Å²	128.3	77%	0.768	70%	0.695	S	S	*	*			trans	165.4	101.3	-139.6	-95.4	-84.4	0	0	0	109.4	D534	D534-F536 WeakPolarHBondContact O-CD2 3.16Å
537	H	27.1	Very low	28.5	Very low	157 Å²	157	119.1 Å²	119.1	73%	0.727	66%	0.663	S	S	*	*				118.1	104.1	110.4	-105.5	-81	0	0	0	109.8
538	L	25.1	Very low	28.6	Very low	160 Å²	160	118.7 Å²	118.7	84%	0.838	65%	0.649	S	S	*	*				20.6	104	108.1	-116.4	105.7	0	0	0	111.3
539	S	25.1	Very low	28.5	Very low	114 Å²	114	117.7 Å²	117.7	80%	0.797	65%	0.646	S	S	*	*			trans	128.6	108.7	137.3	58.8	0	0	0	0	109.9
540	G	27.3	Very low	28.3	Very low	65 Å²	65	119.5 Å²	119.5	67%	0.67	65%	0.65	S	S	*	*				129.1	97.7	113.2	0	0	0	0	0	110.7
541	L	26.7	Very low	28.2	Very low	162 Å²	162	116 Å²	116	85%	0.848	63%	0.632	S	S	*	*				50	109.7	107.8	-90.4	148.7	0	0	0	110.8
542	D	28.1	Very low	28	Very low	138 Å²	138	114.3 Å²	114.3	74%	0.738	62%	0.618	S	S	*	*				171.4	0	124.4	-92.8	-14.3	0	0	0	109.3
543	T	27.7	Very low	28	Very low	98 Å²	98	108.2 Å²	108.2	60%	0.601	61%	0.609	S	S	*	*				0	115.7	0	50.5	0	0	0	0	110.8
544	N	28.8	Very low	27.8	Very low	132 Å²	132	107.4 Å²	107.4	71%	0.706	59%	0.592	S	S	*	*				156.1	0	126.4	-78.9	-25.5	0	0	0	109.8
545	L	29.7	Very low	27.8	Very low	112 Å²	112	107.9 Å²	107.9	59%	0.586	59%	0.588	S	S	*	*				0	0	0	-100.9	152	0	0	0	109.6	M520 E521	M520-L545 HydrophobicContact CB-CD2 4.27Å; M520-L545 CarbonylContact O-C 3.24Å; M520-L545 VanDerWaalsContact O-C 3.24Å; M520-L545 WeakPolarHBondContact O-CA 3.44Å; E521-L545 CarbonylContact C-O 3.47Å; E521-L545 CarbonylContact O-C 1.74Å; E521-L545 WeakPolarHBondContact O-CA 2.98Å
546	L	27.1	Very low	27.3	Very low	22 Å²	22	109.1 Å²	109.1	12%	0.115	59%	0.59	C	S	.	*				0	114.4	0	-122.2	114.6	0	0	0	111.3	Q519 M520 E521 R522	Q519-L546 VanDerWaalsContact C-CG 3.43Å; Q519-L546 HydrophobicContact CB-CD1 4.32Å; Q519-L546 HydrophobicContact CB-CD2 4.42Å; Q519-L546 WeakPolarHBondContact O-CD1 3.15Å; M520-L546 CovalentContact CA-CG 1.13Å; M520-L546 HydrophobicContact CB-CB 2.32Å; M520-L546 HydrophobicContact CB-CD1 1.6Å; M520-L546 CovalentContact CB-CD2 1.01Å; M520-L546 HydrophobicContact CB-CD2 1.01Å; M520-L546 CovalentContact CB-CG 1Å; M520-L546 HydrophobicContact CB-CG 1Å; M520-L546 HydrophobicContact CE-CD2 3.36Å; M520-L546 HydrophobicContact CG-CB 3.45Å; M520-L546 VanDerWaalsContact CG-CB 3.45Å; M520-L546 HydrophobicContact CG-CD1 3.08Å; M520-L546 CovalentContact CG-CD2 0.93Å; M520-L546 HydrophobicContact CG-CD2 0.93Å; M520-L546 HydrophobicContact CG-CG 2.32Å; M520-L546 CovalentContact N-CD1 1.9Å; M520-L546 WeakPolarHBondContact O-CA 3.37Å; M520-L546 WeakPolarHBondContact O-CB 3.19Å; M520-L546 WeakPolarHBondContact O-CD1 3.47Å; M520-L546 WeakPolarHBondContact O-CG 3.47Å; M520-L546 PolarHBondContact O-N 2.83Å; M520-L546 HydrophobicContact SD-CB 3.93Å; M520-L546 HydrophobicContact SD-CD1 4.29Å; M520-L546 HydrophobicContact SD-CD2 1.98Å; M520-L546 WeakPolarHBondContact SD-CD2 3.46Å; M520-L546 HydrophobicContact SD-CG 3.45Å; M520-L546 WeakPolarHBondContact SD-CG 3.2Å; E521-L546 CarbonylContact C-O 3.56Å; E521-L546 WeakPolarHBondContact CA-O 2.89Å; E521-L546 CovalentContact CB-C 0.81Å; E521-L546 HydrophobicContact CB-CB 2.7Å; E521-L546 HydrophobicContact CB-CD2 3.94Å; E521-L546 HydrophobicContact CB-CG 3.48Å; E521-L546 VanDerWaalsContact CB-CG 3.48Å; E521-L546 WeakPolarHBondContact CB-O 3.33Å; E521-L546 HydrophobicContact CG-CB 3.86Å; E521-L546 HydrophobicContact CG-CD2 4.25Å; E521-L546 HydrophobicContact CG-CG 4.21Å; E521-L546 WeakPolarHBondContact CG-O 3Å; E521-L546 CovalentContact N-CA 1.55Å; E521-L546 CarbonylContact O-C 3.1Å; E521-L546 WeakPolarHBondContact O-CA 3.42Å; E521-L546 WeakPolarHBondContact O-CB 3.34Å; E521-L546 CovalentContact O-N 1.12Å; E521-L546 PolarHBondContact O-N 2.65Å; R522-L546 VanDerWaalsContact N-C 3.31Å
547	E	27.2	Very low	27.1	Very low	46 Å²	46	105.3 Å²	105.3	22%	0.215	59%	0.586	C	S	.	*				130.4	109.4	108.6	-124.1	-174.3	-179.7	0	0	108.6	M520 E521 R522	M520-E547 HydrophobicContact CB-CB 4.49Å; M520-E547 HydrophobicContact CB-CG 3.8Å; M520-E547 HydrophobicContact CE-CG 4.42Å; M520-E547 WeakPolarHBondContact CE-OE1 3.43Å; M520-E547 HydrophobicContact CG-CB 4.24Å; M520-E547 HydrophobicContact CG-CG 3.08Å; M520-E547 WeakPolarHBondContact CG-OE1 3.22Å; M520-E547 HydrophobicContact SD-CB 3.88Å; M520-E547 HydrophobicContact SD-CG 2.81Å; M520-E547 WeakPolarHBondContact SD-CG 3.28Å; M520-E547 CovalentContact SD-OE1 1.63Å; E521-E547 HydrophobicContact CB-CB 2.17Å; E521-E547 HydrophobicContact CB-CG 3.17Å; E521-E547 CovalentContact CB-N 0.89Å; E521-E547 WeakPolarHBondContact CB-O 3.3Å; E521-E547 CovalentContact CD-CA 1.29Å; E521-E547 CovalentContact CD-CB 0.85Å; E521-E547 CovalentContact CG-CA 0.41Å; E521-E547 HydrophobicContact CG-CB 1.69Å; E521-E547 HydrophobicContact CG-CG 2.53Å; E521-E547 CovalentContact CG-N 1.36Å; E521-E547 WeakPolarHBondContact CG-O 3.41Å; E521-E547 PolarHBondContact O-N 3.5Å; E521-E547 WeakPolarHBondContact OE1-CA 3.48Å; E521-E547 WeakPolarHBondContact OE1-CB 3.45Å; E521-E547 WeakPolarHBondContact OE1-CG 3.38Å; E521-E547 WeakPolarHBondContact OE2-CA 3.08Å; E521-E547 CovalentContact OE2-CB 0.93Å; E521-E547 WeakPolarHBondContact OE2-CB 3.24Å; E521-E547 WeakPolarHBondContact OE2-CG 2.62Å; E521-E547 PolarHBondContact OE2-N 3.2Å; R522-E547 WeakPolarHBondContact CB-O 2.97Å; R522-E547 WeakPolarHBondContact CD-O 2.48Å; R522-E547 VanDerWaalsContact CG-N 3.31Å; R522-E547 WeakPolarHBondContact CG-O 3.21Å; R522-E547 VanDerWaalsContact N-N 3.11Å; R522-E547 PolarHBondContact NE-O 3.31Å; R522-E547 PolarHBondContact NH1-O 2.85Å
548	H	28.8	Very low	27.1	Very low	91 Å²	91	106.7 Å²	106.7	42%	0.421	59%	0.589	S	S	.	*				135.8	0	107.2	-105.2	-54.6	0	0	0	109.7	E521 R522	E521-H548 VanDerWaalsContact CD-CA 3.42Å; E521-H548 HydrophobicContact CG-CB 4.04Å; E521-H548 WeakPolarHBondContact OE1-CA 2.97Å; E521-H548 WeakPolarHBondContact OE1-CB 3.32Å; E521-H548 IonicContact OE1-CD2 3.79Å; E521-H548 PolarHBondContact OE1-CD2 3.19Å; E521-H548 IonicContact OE1-CE1 2.99Å; E521-H548 PolarHBondContact OE1-CE1 3.12Å; E521-H548 CovalentContact OE1-CG 1.78Å; E521-H548 IonicContact OE1-CG 3.89Å; E521-H548 PolarHBondContact OE1-N 3.35Å; E521-H548 IonicContact OE1-ND1 2.86Å; E521-H548 PolarHBondContact OE1-ND1 3.44Å; E521-H548 IonicContact OE1-NE2 1.94Å; E521-H548 PolarHBondContact OE1-NE2 2.99Å; E521-H548 IonicContact OE2-CD2 3.36Å; E521-H548 PolarHBondContact OE2-CD2 2.8Å; E521-H548 IonicContact OE2-CG 3.55Å; R522-H548 WeakPolarHBondContact CD-O 3.33Å; R522-H548 VanDerWaalsContact CG-N 3.32Å; R522-H548 CovalentContact CZ-O 1.09Å; R522-H548 PolarHBondContact NE-O 2.92Å; R522-H548 VanDerWaalsContact NH1-N 3.2Å; R522-H548 PolarHBondContact NH1-O 3.17Å; R522-H548 CovalentContact NH2-O 0.58Å; R522-H548 PolarHBondContact NH2-O 3.02Å
549	C	27.4	Very low	27.3	Very low	93 Å²	93	103.7 Å²	103.7	63%	0.628	58%	0.578	S	S	*	*				0	0	0	-75.6	0	0	0	0	109.6	R522	R522-C549 VanDerWaalsContact NH2-CB 3.3Å; R522-C549 PolarHBondContact NH2-O 3.36Å
550	L	25.4	Very low	27.7	Very low	156 Å²	156	105.3 Å²	105.3	82%	0.817	58%	0.583	S	S	*	*				0	104.1	0	-79.9	162.1	0	0	0	111.3
551	N	25.2	Very low	27.9	Very low	67 Å²	67	106.7 Å²	106.7	36%	0.358	58%	0.582	S	S	.	*				127.4	106.5	127.3	-96.3	-3.9	0	0	0	110.2	E1126	N551-E1126 HydrophobicContact CB-CB 4.46Å; N551-E1126 WeakPolarHBondContact ND2-CB 2.07Å; N551-E1126 PolarHBondContact ND2-O 2.86Å; N551-E1126 PolarHBondContact ND2-OE2 2.72Å
552	K	26.8	Very low	28.1	Very low	92 Å²	92	103.3 Å²	103.3	40%	0.4	58%	0.578	S	S	.	*				112.6	106.7	118.5	-97.8	-177.1	-177.7	-177.9	0	110.3	E1126 M1127 P1128	K552-E1126 HydrophobicContact CD-CB 4.48Å; K552-E1126 HydrophobicContact CD-CG 4.34Å; K552-E1126 VanDerWaalsContact NZ-CA 3.26Å; K552-M1127 HydrophobicContact CD-CB 4.16Å; K552-M1127 WeakPolarHBondContact CD-O 2.9Å; K552-M1127 CovalentContact CE-O 1.44Å; K552-M1127 WeakPolarHBondContact CE-O 1.44Å; K552-M1127 WeakPolarHBondContact CG-O 3.46Å; K552-M1127 VanDerWaalsContact NZ-C 3.34Å; K552-M1127 VanDerWaalsContact NZ-CA 3.26Å; K552-M1127 VanDerWaalsContact NZ-N 3.14Å; K552-M1127 PolarHBondContact NZ-O 3.27Å; K552-P1128 HydrophobicContact CB-CB 3.7Å; K552-P1128 HydrophobicContact CB-CG 3.7Å; K552-P1128 HydrophobicContact CD-CB 3.83Å; K552-P1128 HydrophobicContact CD-CG 4.39Å; K552-P1128 VanDerWaalsContact CE-CA 3.46Å; K552-P1128 HydrophobicContact CG-CB 2.86Å; K552-P1128 HydrophobicContact CG-CG 3.04Å
553	S	28.9	Very low	28.3	Very low	100 Å²	100	103.3 Å²	103.3	70%	0.699	58%	0.583	S	S	*	*				150.6	0	123.4	148	0	0	0	0	109.1
554	V	26.6	Very low	28.5	Very low	41 Å²	41	104.6 Å²	104.6	25%	0.248	59%	0.59	C	S	.	*				0	0	0	177.3	0	0	0	0	109.4	F1130	V554-F1130 VanDerWaalsContact CA-CG 3.42Å; V554-F1130 CovalentContact CA-CZ 1.53Å; V554-F1130 HydrophobicContact CB-CB 4.31Å; V554-F1130 HydrophobicContact CB-CD1 2.43Å; V554-F1130 HydrophobicContact CB-CD2 2.42Å; V554-F1130 CovalentContact CB-CE1 1.42Å; V554-F1130 HydrophobicContact CB-CE1 1.42Å; V554-F1130 CovalentContact CB-CE2 1.4Å; V554-F1130 HydrophobicContact CB-CE2 1.4Å; V554-F1130 HydrophobicContact CB-CG 2.79Å; V554-F1130 HydrophobicContact CB-CZ 0.09Å; V554-F1130 HydrophobicContact CG1-CD1 2.17Å; V554-F1130 HydrophobicContact CG1-CD2 3.51Å; V554-F1130 CovalentContact CG1-CE1 0.83Å; V554-F1130 HydrophobicContact CG1-CE1 0.83Å; V554-F1130 HydrophobicContact CG1-CE2 2.89Å; V554-F1130 HydrophobicContact CG1-CG 3.23Å; V554-F1130 CovalentContact CG1-CZ 1.57Å; V554-F1130 HydrophobicContact CG1-CZ 1.57Å; V554-F1130 HydrophobicContact CG2-CB 3.02Å; V554-F1130 HydrophobicContact CG2-CD1 1.93Å; V554-F1130 CovalentContact CG2-CD2 1.2Å; V554-F1130 HydrophobicContact CG2-CD2 1.2Å; V554-F1130 HydrophobicContact CG2-CE1 1.94Å; V554-F1130 CovalentContact CG2-CE2 1.21Å; V554-F1130 HydrophobicContact CG2-CE2 1.21Å; V554-F1130 CovalentContact CG2-CG 1.59Å; V554-F1130 HydrophobicContact CG2-CG 1.59Å; V554-F1130 HydrophobicContact CG2-CZ 1.66Å; V554-F1130 WeakPolarHBondContact O-CZ 3.47Å
555	K	27.8	Very low	28.7	Very low	137 Å²	137	105.3 Å²	105.3	60%	0.596	59%	0.594	S	S	*	*				0	102.1	0	-87.8	-173.3	-176.1	-179.6	0	109.7	F1130 I1133	K555-F1130 HydrophobicContact CB-CE1 4.45Å; K555-F1130 HydrophobicContact CB-CZ 4.36Å; K555-F1130 HydrophobicContact CD-CE1 4.28Å; K555-F1130 HydrophobicContact CG-CE1 3.58Å; K555-F1130 HydrophobicContact CG-CZ 3.97Å; K555-I1133 HydrophobicContact CD-CD1 3.6Å; K555-I1133 HydrophobicContact CG-CD1 4.1Å
556	Q	26.6	Very low	28.8	Very low	133 Å²	133	110.1 Å²	110.1	62%	0.621	60%	0.604	S	S	*	*				91.2	105.5	116.3	-94.3	-178.8	-1.2	0	0	110.1	F1135	Q556-F1135 VanDerWaalsContact NE2-CE2 3.29Å
557	S	26.8	Very low	29.1	Very low	95 Å²	95	120.1 Å²	120.1	66%	0.664	64%	0.64	S	S	*	*				103.8	0	110.3	119.6	0	0	0	0	110
558	K	26.8	Very low	29.2	Very low	186 Å²	186	126.4 Å²	126.4	81%	0.809	67%	0.667	S	S	*	*				0	108.1	0	-101.1	179.6	-178.4	175.1	0	110.3
559	V	28.8	Very low	29.2	Very low	98 Å²	98	132 Å²	132	59%	0.594	68%	0.684	S	S	*	*				113.4	96.1	106.8	176.6	0	0	0	0	108.4	S561	V559-S561 WeakPolarHBondContact CG1-OG 3.48Å
560	T	34	Very low	29.2	Very low	148 Å²	148	133.8 Å²	133.8	91%	0.908	69%	0.692	S	S	*	*				-143.4	0	126.6	26.5	0	0	0	0	109
561	S	31.5	Very low	29.5	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	69%	0.693	S	S	*	*				0	0	0	-65.7	0	0	0	0	110.6	V559	V559-S561 WeakPolarHBondContact CG1-OG 3.48Å
562	A	29.7	Very low	29.7	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	72%	0.72	S	S	*	*				0	0	0	0	0	0	0	0	109.8
563	T	32.1	Very low	29.7	Very low	137 Å²	137	145.3 Å²	145.3	84%	0.84	74%	0.74	S	S	*	*	S	Bend		0	0	0	-2	0	0	0	0	109
564	V	33.9	Very low	29.7	Very low	125 Å²	125	146.8 Å²	146.8	76%	0.758	74%	0.739	S	S	*	*				0	0	0	174.5	0	0	0	0	107.9
565	L	32.9	Very low	30	Very low	148 Å²	148	149.5 Å²	149.5	78%	0.775	76%	0.755	S	S	*	*				0	0	0	-91.6	150.8	0	0	0	110.5
566	R	31.3	Very low	30	Very low	213 Å²	213	152.9 Å²	152.9	80%	0.804	77%	0.77	S	S	*	*				0	98.3	0	-113.7	-179.2	-178.3	161.9	-1	109.5
567	R	33	Very low	30	Very low	232 Å²	232	150.9 Å²	150.9	88%	0.875	77%	0.771	S	S	*	*				151.7	0	105.6	-103.9	-179.3	177.4	154.4	0.1	109.3
568	K	30.2	Very low	30.4	Very low	177 Å²	177	155.7 Å²	155.7	77%	0.77	78%	0.783	S	S	*	*				0	115.2	0	-102.4	-177.3	178.8	177.5	0	111.4
569	R	27.7	Very low	30.6	Very low	208 Å²	208	152.4 Å²	152.4	79%	0.785	78%	0.778	S	S	*	*				87.5	0	107.4	-104.6	179.6	-177.9	164.8	-0.3	110.3
570	T	28.3	Very low	30.6	Very low	131 Å²	131	154.1 Å²	154.1	80%	0.804	78%	0.784	S	S	*	*				0	0	0	41.6	0	0	0	0	109
571	M	32	Very low	30.3	Very low	168 Å²	168	156.3 Å²	156.3	83%	0.828	78%	0.781	S	S	*	*				0	0	0	-107	-135.6	-82.2	0	0	109.4
572	K	27.9	Very low	30.2	Very low	216 Å²	216	157.6 Å²	157.6	94%	0.939	79%	0.789	S	S	*	*	S	Bend		0	0	0	-112.7	178.9	-179.8	178	0	111
573	E	26.6	Very low	30.1	Very low	173 Å²	173	163 Å²	163	81%	0.808	80%	0.795	S	S	*	*	S	Bend		0	86	0	-102.9	-178.4	177.8	0	0	109.8
574	I	29.4	Very low	30.1	Very low	131 Å²	131	164.5 Å²	164.5	67%	0.672	80%	0.797	S	S	*	*			trans	-179.5	81.6	140	-65.7	171.9	0	0	0	108
575	T	32.4	Very low	29.9	Very low	98 Å²	98	165.4 Å²	165.4	60%	0.601	80%	0.797	S	S	*	*				142.7	0	115.3	40.3	0	0	0	0	109.2	S577	T575-S577 PolarHBondContact O-N 2.93Å; T575-S577 VanDerWaalsContact O-N 3.16Å
576	K	27.5	Very low	29.9	Very low	208 Å²	208	165.9 Å²	165.9	90%	0.904	80%	0.795	S	S	*	*	S	Bend		0	0	0	-96.4	-179.7	-177.8	179.6	0	111.4
577	S	27.7	Very low	30	Very low	92 Å²	92	164.2 Å²	164.2	64%	0.643	79%	0.789	S	S	*	*				0	75.6	0	72.1	0	0	0	0	109.6	T575	T575-S577 PolarHBondContact O-N 2.93Å; T575-S577 VanDerWaalsContact O-N 3.16Å
578	E	34	Very low	29.8	Very low	195 Å²	195	155.1 Å²	155.1	91%	0.911	77%	0.767	S	S	*	*			trans	-160.5	0	134.5	-95.2	-175.4	171	0	0	109.5
579	V	31.7	Very low	29.7	Very low	117 Å²	117	148.1 Å²	148.1	71%	0.709	74%	0.74	S	S	*	*				0	98.4	0	179.9	0	0	0	0	110.2
580	N	28.2	Very low	29.7	Very low	134 Å²	134	142.9 Å²	142.9	72%	0.717	74%	0.735	S	S	*	*				127.7	97.8	126.7	-84.6	-20.8	0	0	0	110.1
581	K	29.2	Very low	29.8	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	74%	0.735	S	S	*	*				147.9	91.4	123.8	-106.1	178.3	-176.2	179.8	0	109.5
582	C	29.6	Very low	29.5	Very low	120 Å²	120	141.1 Å²	141.1	81%	0.811	73%	0.734	S	S	*	*				157.8	89.3	122.2	-79.5	0	0	0	0	108.9
583	K	26.4	Very low	29.6	Very low	205 Å²	205	135.3 Å²	135.3	89%	0.891	73%	0.726	S	S	*	*				-1.6	97.7	119.4	-100.1	-179.3	-178.6	178.6	0	111.6
584	L	32.2	Very low	29.6	Very low	169 Å²	169	131.9 Å²	131.9	89%	0.885	72%	0.72	S	S	*	*			trans	-152.8	0	143.8	-98.5	141.9	0	0	0	109.1
585	N	28.9	Very low	29.5	Very low	143 Å²	143	130.6 Å²	130.6	77%	0.765	72%	0.718	S	S	*	*				0	118.4	0	-78.5	-16	0	0	0	111.7
586	H	34.8	Very low	29.3	Very low	158 Å²	158	137.3 Å²	137.3	73%	0.731	73%	0.734	S	S	*	*				147.6	111	124.7	-96.4	-64.3	0	0	0	109.3
587	R	31.9	Very low	29.5	Very low	179 Å²	179	132.3 Å²	132.3	68%	0.675	72%	0.721	S	S	*	*				105	0	109.7	-99.3	-170.2	178.3	-177.2	0.6	109.9
588	G	29.6	Very low	29.7	Very low	40 Å²	40	132.7 Å²	132.7	41%	0.412	72%	0.723	S	S	.	*				0	115.8	0	0	0	0	0	0	111.2	N40	N40-G588 WeakPolarHBondContact ND2-CA 3.4Å; N40-G588 PolarHBondContact ND2-N 3.32Å; N40-G588 PolarHBondContact ND2-O 3.1Å
589	S	28.4	Very low	29.5	Very low	30 Å²	30	130.7 Å²	130.7	21%	0.21	72%	0.719	C	S	.	*				57.1	126.1	120	104.4	0	0	0	0	111.4	S42	S42-S589 WeakPolarHBondContact CA-OG 3.48Å; S42-S589 CovalentContact CB-OG 1.07Å; S42-S589 WeakPolarHBondContact CB-OG 3.29Å; S42-S589 PolarHBondContact N-OG 3.5Å; S42-S589 WeakPolarHBondContact OG-CA 3.5Å; S42-S589 CovalentContact OG-CB 1.35Å; S42-S589 WeakPolarHBondContact OG-CB 3.28Å; S42-S589 PolarHBondContact OG-OG 3.44Å
590	C	27	Very low	29.5	Very low	99 Å²	99	129.1 Å²	129.1	67%	0.669	72%	0.719	S	S	*	*				140.8	0	127.5	-78.3	0	0	0	0	109	S42	S42-C590 WeakPolarHBondContact CB-SG 3.42Å; S42-C590 PolarHBondContact OG-SG 3.01Å
591	T	29.5	Very low	29.7	Very low	131 Å²	131	131.1 Å²	131.1	80%	0.804	72%	0.723	S	S	*	*				0	115.6	0	36.2	0	0	0	0	111.2
592	T	27.4	Very low	29.9	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	72%	0.72	S	S	*	*			trans	176	110.1	139.8	-34.2	0	0	0	0	108.7
593	A	28.7	Very low	30	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	72%	0.721	S	S	*	*				0.5	114.1	121.5	0	0	0	0	0	111.4
594	C	26.2	Very low	30.3	Very low	102 Å²	102	121.8 Å²	121.8	69%	0.689	71%	0.713	S	S	*	*			trans	-167.7	114.4	151.2	-90	0	0	0	0	109
595	T	28.7	Very low	30.3	Very low	104 Å²	104	123.2 Å²	123.2	64%	0.638	72%	0.715	S	S	*	*				115.7	102.3	96.4	31.9	0	0	0	0	109.6
596	Y	27.8	Very low	30.2	Very low	239 Å²	239	123.2 Å²	123.2	94%	0.937	71%	0.714	S	S	*	*	S	Bend		-117.9	103.1	124.4	-107.3	-88.6	0	0	0	109.5
597	V	31.4	Very low	30	Very low	103 Å²	103	122.9 Å²	122.9	62%	0.624	72%	0.717	S	S	*	*				66.1	117.4	90.3	178.9	0	0	0	0	109.1
598	S	31.1	Very low	29.7	Very low	99 Å²	99	125.3 Å²	125.3	69%	0.692	73%	0.728	S	S	*	*				157.4	108	100.7	47.8	0	0	0	0	109.6
599	N	30.6	Very low	29.7	Very low	154 Å²	154	126.4 Å²	126.4	82%	0.824	74%	0.739	S	S	*	*				117.6	106.6	96.7	-93.9	-1.7	0	0	0	109.9
600	A	32	Very low	29.6	Very low	84 Å²	84	131 Å²	131	69%	0.694	77%	0.766	S	S	*	*				129.2	0	105.1	0	0	0	0	0	109.3
601	Q	32.3	Very low	29.5	Very low	175 Å²	175	132.7 Å²	132.7	82%	0.818	77%	0.768	S	S	*	*				0	0	0	-108.3	161.7	-7.9	0	0	110
602	T	33.1	Very low	29.6	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	77%	0.77	S	S	*	*				0	0	0	46.7	0	0	0	0	109.4
603	P	32.1	Very low	29.5	Very low	127 Å²	127	133.6 Å²	133.6	83%	0.825	77%	0.769	S	S	*	*				0	140.2	0	33.7	-4.5	0	0	0	112
604	G	32.2	Very low	29.4	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	78%	0.775	S	S	*	*			trans	158.1	105.4	136.6	0	0	0	0	0	110.2
605	Q	32.2	Very low	29.4	Very low	198 Å²	198	137.6 Å²	137.6	93%	0.925	77%	0.772	S	S	*	*				127.2	104.5	114.3	-91.2	-166.2	-19.8	0	0	109.5
606	I	28	Very low	29.4	Very low	144 Å²	144	138.5 Å²	138.5	74%	0.738	78%	0.778	S	S	*	*				11.1	117.5	118	-58.4	174.2	0	0	0	110.1
607	N	30.2	Very low	29.4	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	76%	0.763	S	S	*	*				173.5	0	125.9	-101.2	-13.5	0	0	0	109.7
608	Y	25	Very low	29.2	Very low	230 Å²	230	137.2 Å²	137.2	90%	0.902	77%	0.772	S	S	*	*				0	118.1	0	-80	-80.3	0	0	0	111.2
609	G	29.6	Very low	29.3	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	77%	0.77	S	S	*	*			trans	159.7	107.3	135.3	0	0	0	0	0	109.7
610	T	27.2	Very low	29.2	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	78%	0.776	S	S	*	*				65.5	116.6	109.4	37	0	0	0	0	110.3
611	N	25.2	Very low	28.9	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	77%	0.773	S	S	*	*				93.8	109.9	115.6	-80.2	-24.5	0	0	0	110.4
612	I	30.6	Very low	28.7	Very low	163 Å²	163	138 Å²	138	84%	0.836	77%	0.773	S	S	*	*				146	98.8	128.9	-64.7	171.9	0	0	0	108
613	C	24.3	Very low	28.3	Very low	117 Å²	117	137.2 Å²	137.2	79%	0.791	76%	0.764	S	S	*	*			trans	6.2	129.4	131.9	-82.4	0	0	0	0	111.3
614	Q	28.3	Very low	28.1	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	76%	0.761	S	S	*	*				166.4	119.6	116.6	-101.1	-178.6	-11.3	0	0	109.3
615	S	26.1	Very low	27.8	Very low	89 Å²	89	141 Å²	141	62%	0.622	76%	0.76	S	S	*	*				61.9	118.8	103.4	169.6	0	0	0	0	110.9
616	T	29.2	Very low	27.5	Very low	123 Å²	123	139.6 Å²	139.6	76%	0.755	76%	0.758	S	S	*	*				153.6	109.6	119.8	-12.8	0	0	0	0	109
617	Y	27	Very low	27.4	Very low	163 Å²	163	138 Å²	138	64%	0.639	76%	0.76	S	S	*	*				47.9	119.9	107	-95	-86.9	0	0	0	111
618	L	27.4	Very low	27.2	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	76%	0.761	S	S	*	*				118.7	143.8	109.1	-94.4	144	0	0	0	109.7
619	P	32.8	Very low	27.4	Very low	103 Å²	103	137 Å²	137	67%	0.669	75%	0.753	S	S	*	*			trans	-104	147.5	-173.5	33.4	-4.6	0	0	0	111.8
620	L	28.4	Very low	27.4	Very low	178 Å²	178	139 Å²	139	93%	0.932	76%	0.758	S	S	*	*			trans	-171	0	157.6	-86.3	154.4	0	0	0	108.8
621	G	26.6	Very low	27.5	Very low	63 Å²	63	142 Å²	142	65%	0.649	76%	0.763	S	S	*	*				0	123	0	0	0	0	0	0	111.2
622	F	27	Very low	27.7	Very low	183 Å²	183	140.3 Å²	140.3	80%	0.803	77%	0.767	S	S	*	*				119.3	123	108.6	-106.1	-85	0	0	0	109.6
623	N	25.1	Very low	27.4	Very low	112 Å²	112	140.9 Å²	140.9	60%	0.599	76%	0.764	S	S	*	*				89.7	126.6	101.3	-88.9	-25.9	0	0	0	110.9
624	Q	26.9	Very low	27.5	Very low	162 Å²	162	143.6 Å²	143.6	76%	0.757	76%	0.759	S	S	*	*				121.5	116	109.4	-100.4	176.9	16.8	0	0	109.9
625	T	27.2	Very low	27.4	Very low	114 Å²	114	146.6 Å²	146.6	70%	0.699	76%	0.762	S	S	*	*				125.1	116.6	105.4	46.6	0	0	0	0	109.3
626	L	25.1	Very low	27.4	Very low	169 Å²	169	147.6 Å²	147.6	89%	0.885	76%	0.76	S	S	*	*				44.1	127.4	108.8	-88.1	148.1	0	0	0	111.1
627	S	27.1	Very low	27.4	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	76%	0.761	S	S	*	*				168.4	117.9	119.4	-114.5	0	0	0	0	109.4
628	R	26.1	Very low	27.3	Very low	223 Å²	223	148.7 Å²	148.7	84%	0.842	77%	0.766	S	S	*	*				70.6	114.4	91.8	-109.7	-179.1	169.4	175.9	-0.1	110.8
629	D	29.1	Very low	27.2	Very low	137 Å²	137	148.8 Å²	148.8	73%	0.733	77%	0.766	S	S	*	*				150	0	114.7	-83.8	-19.4	0	0	0	109.3
630	S	28.4	Very low	26.7	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	78%	0.775	S	S	*	*				0	101.1	0	55.5	0	0	0	0	109.8
631	E	29.3	Very low	26.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.883	77%	0.769	S	S	*	*				119	97.4	102.5	-88.9	-170.7	174.3	0	0	110
632	A	30	Very low	26.6	Very low	99 Å²	99	154.6 Å²	154.6	82%	0.818	78%	0.777	S	S	*	*				122	0	99.2	0	0	0	0	0	109.7
633	F	25.2	Very low	26.4	Very low	176 Å²	176	155.8 Å²	155.8	77%	0.772	78%	0.776	S	S	*	*				0	125.5	0	-92	-82.5	0	0	0	111.5
634	Y	24.9	Very low	26.5	Very low	173 Å²	173	157 Å²	157	68%	0.678	78%	0.783	S	S	*	*				96.7	115.6	97.7	-108.1	-88.5	0	0	0	110
635	R	26.5	Very low	26.6	Very low	254 Å²	254	154.8 Å²	154.8	96%	0.958	78%	0.781	S	S	*	*			trans	-149.1	0	132.4	-105.4	-164.6	-158.9	-154.2	0.1	109.4
636	N	26.8	Very low	26.6	Very low	110 Å²	110	156.5 Å²	156.5	59%	0.588	79%	0.786	S	S	*	*				0	140.5	0	-139.8	-16.9	0	0	0	111.9
637	P	28.7	Very low	26.8	Very low	117 Å²	117	157.3 Å²	157.3	76%	0.76	79%	0.787	S	S	*	*			trans	-129.6	109.5	138.7	31	-3.1	0	0	0	111.7
638	Y	24.5	Very low	27	Very low	192 Å²	192	156.2 Å²	156.2	75%	0.753	78%	0.784	S	S	*	*			trans	-37.1	0	131	-79.6	-79.8	0	0	0	111.3
639	L	25	Very low	27.4	Very low	154 Å²	154	152 Å²	152	81%	0.806	78%	0.784	S	S	*	*				0	0	0	-86.8	157.1	0	0	0	110
640	C	23.4	Very low	27.5	Very low	125 Å²	125	150.2 Å²	150.2	85%	0.845	78%	0.782	S	S	*	*				0	0	0	-108.5	0	0	0	0	109.1
641	W	24.7	Very low	27.7	Very low	216 Å²	216	153.6 Å²	153.6	82%	0.818	79%	0.787	S	S	*	*				0	0	0	-77.9	75.8	0	0	0	110.7
642	P	27.7	Very low	27.7	Very low	125 Å²	125	151.8 Å²	151.8	81%	0.812	78%	0.783	S	S	*	*				0	0	0	29.3	-2.5	0	0	0	111.6
643	R	23.6	Very low	28	Very low	208 Å²	208	154.2 Å²	154.2	79%	0.785	78%	0.78	S	S	*	*				0	0	0	-110.1	-175.7	-156.5	-177.8	1.3	111.4
644	N	26.9	Very low	28.2	Very low	138 Å²	138	153 Å²	153	74%	0.738	78%	0.782	S	S	*	*				0	0	0	-95.6	-10.2	0	0	0	109.8
645	T	27.8	Very low	28.6	Very low	116 Å²	116	150.2 Å²	150.2	71%	0.712	79%	0.788	S	S	*	*				0	0	0	44.4	0	0	0	0	109.1
646	N	28.5	Very low	28.7	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	79%	0.787	S	S	*	*				0	0	0	-83.8	-14.5	0	0	0	109.9
647	M	28.7	Very low	29	Very low	186 Å²	186	144.7 Å²	144.7	92%	0.916	79%	0.794	S	S	*	*				0	0	0	-97.5	-164.7	149.4	0	0	109.3
648	A	31.6	Very low	29	Very low	88 Å²	88	144 Å²	144	73%	0.727	79%	0.793	S	S	*	*				0	0	0	0	0	0	0	0	109.8
649	T	33.7	Very low	29.3	Very low	135 Å²	135	141 Å²	141	83%	0.828	79%	0.79	S	S	*	*				0	0	0	50.3	0	0	0	0	109.7
650	S	31	Very low	29.6	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	79%	0.785	S	S	*	*				0	0	0	80.2	0	0	0	0	110.4
651	E	33	Very low	29.9	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	78%	0.78	S	S	*	*				0	0	0	-86.6	-171.1	174.6	0	0	109.7
652	N	30.5	Very low	30.3	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	78%	0.783	S	S	*	*				0	137.8	0	-92	-14.2	0	0	0	111.3
653	I	35.1	Very low	30.4	Very low	150 Å²	150	140.1 Å²	140.1	77%	0.769	78%	0.782	S	S	*	*				148.5	0	101.9	-64.8	175	0	0	0	108
654	N	29.9	Very low	30.6	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	78%	0.778	S	S	*	*				0	137.2	0	-88.4	-8.1	0	0	0	111.2
655	S	33.4	Very low	30.7	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	77%	0.772	S	S	*	*				148.9	119.7	111.4	51.1	0	0	0	0	109.1
656	N	28.2	Very low	30.6	Very low	177 Å²	177	137.8 Å²	137.8	95%	0.947	78%	0.779	S	S	*	*				45	128.6	106.2	-81.4	-11.4	0	0	0	111.6
657	G	32.2	Very low	30.5	Very low	72 Å²	72	139 Å²	139	74%	0.742	78%	0.784	S	S	*	*				160.1	113.6	123.2	0	0	0	0	0	109.9
658	S	29.9	Very low	30.4	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	78%	0.781	S	S	*	*				65.3	124.6	103.2	68.3	0	0	0	0	111
659	D	31.1	Very low	30.2	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	78%	0.781	S	S	*	*				117.3	117.7	104.4	-87.6	-12.9	0	0	0	109.6
660	N	30.3	Very low	29.7	Very low	135 Å²	135	136.8 Å²	136.8	72%	0.722	78%	0.776	S	S	*	*				124.2	112	105.9	-75.7	-18.3	0	0	0	109.7
661	S	30.7	Very low	29.6	Very low	104 Å²	104	139.7 Å²	139.7	73%	0.727	78%	0.776	S	S	*	*				119.2	107	103.6	62.6	0	0	0	0	109.6
662	E	32.5	Very low	29.2	Very low	189 Å²	189	138.7 Å²	138.7	88%	0.883	78%	0.781	S	S	*	*				138.1	0	101.5	-96.4	-172.5	174.9	0	0	109.4
663	H	28.8	Very low	29	Very low	173 Å²	173	134.5 Å²	134.5	80%	0.801	77%	0.773	S	S	*	*				0	115.3	0	-103.5	-61	0	0	0	111.6
664	I	28.1	Very low	28.4	Very low	134 Å²	134	135.7 Å²	135.7	69%	0.687	78%	0.78	S	S	*	*				127.5	143.9	96.9	-62.3	176.2	0	0	0	108.5
665	P	29.2	Very low	28.3	Very low	95 Å²	95	138.2 Å²	138.2	62%	0.617	78%	0.784	S	S	*	*				-144.7	146.2	-87	33.5	-3.6	0	0	0	112
666	Q	25.3	Very low	27.7	Very low	183 Å²	183	141 Å²	141	86%	0.855	79%	0.787	S	S	*	*				47	116.6	118.9	-81.3	-164.2	0.6	0	0	111.1
667	L	27.9	Very low	27.6	Very low	175 Å²	175	139.1 Å²	139.1	92%	0.916	78%	0.775	S	S	*	*				-179.1	123	126.7	-113.7	118	0	0	0	109
668	N	25	Very low	27.2	Very low	157 Å²	157	142.5 Å²	142.5	84%	0.84	78%	0.776	S	S	*	*				21.4	130.8	114.1	-90	-8.2	0	0	0	112
669	S	27.4	Very low	26.9	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	77%	0.774	S	S	*	*				136.9	126.4	107.9	175.1	0	0	0	0	109.4
670	S	24.3	Very low	26.6	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	78%	0.777	S	S	*	*				96.2	0	106.2	52.5	0	0	0	0	110
671	K	27.6	Very low	26.5	Very low	161 Å²	161	148.1 Å²	148.1	70%	0.7	79%	0.785	S	S	*	*				0	109.1	0	-127.6	173.7	-176.3	178.8	0	109.3
672	V	25.2	Very low	26.2	Very low	154 Å²	154	148 Å²	148	93%	0.933	79%	0.785	S	S	*	*				28.5	0	113.8	-178.5	0	0	0	0	109.9
673	G	26.9	Very low	25.8	Very low	62 Å²	62	144.4 Å²	144.4	64%	0.639	78%	0.78	S	S	*	*				0	104.9	0	0	0	0	0	0	109.9
674	L	23.3	Very low	25.6	Very low	174 Å²	174	144.5 Å²	144.5	91%	0.911	78%	0.781	S	S	*	*				19.6	0	118.2	-119.2	110	0	0	0	111.1
675	F	26.6	Very low	25.7	Very low	205 Å²	205	145.2 Å²	145.2	90%	0.899	79%	0.786	S	S	*	*				0	0	0	-90.2	-83.8	0	0	0	109.1
676	M	22	Very low	25.5	Very low	171 Å²	171	147.3 Å²	147.3	84%	0.842	79%	0.791	S	S	*	*				0	116.7	0	-95.4	-145.6	-79.4	0	0	111.5
677	I	25	Very low	25.5	Very low	138 Å²	138	144.5 Å²	144.5	71%	0.708	78%	0.782	S	S	*	*				157.5	117.9	125.3	-59.3	174.4	0	0	0	108
678	N	24.7	Very low	25.4	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	78%	0.776	S	S	*	*				143.4	0	107.9	-94.6	-9.4	0	0	0	109.7
679	S	23.2	Very low	25.5	Very low	97 Å²	97	147 Å²	147	68%	0.678	78%	0.781	S	S	*	*				0	100.4	0	44.4	0	0	0	0	111.8
680	H	24.6	Very low	25.5	Very low	163 Å²	163	149.6 Å²	149.6	76%	0.755	79%	0.787	S	S	*	*			trans	163.7	97.7	135	-92	-72.6	0	0	0	109.2
681	Y	27.4	Very low	25.6	Very low	226 Å²	226	151.5 Å²	151.5	89%	0.886	79%	0.786	S	S	*	*			trans	-169	101.6	140	-101.4	-84.1	0	0	0	109
682	S	25.2	Very low	25.4	Very low	102 Å²	102	150.5 Å²	150.5	71%	0.713	78%	0.784	S	S	*	*				38.9	105	105	91.2	0	0	0	0	111.2
683	S	23.5	Very low	25.4	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	78%	0.776	S	S	*	*				9.2	108.4	126.8	-74.8	0	0	0	0	111.5
684	Q	24.8	Very low	25.4	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	79%	0.786	S	S	*	*				148.3	101.9	128.8	-97.1	-179.1	-7.9	0	0	109.3
685	D	29.7	Very low	25.4	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	78%	0.784	S	S	*	*			trans	-170.9	102.8	134.3	-88.2	-22	0	0	0	109.2
686	L	26.1	Very low	25.4	Very low	139 Å²	139	150.8 Å²	150.8	73%	0.728	77%	0.774	S	S	*	*				51.2	108.6	98.6	-84.2	159.1	0	0	0	110.6
687	N	25.4	Very low	25.6	Very low	124 Å²	124	146.4 Å²	146.4	66%	0.663	77%	0.765	S	S	*	*				129.2	102.4	110.6	-89.1	-12.3	0	0	0	109.9
688	E	24.8	Very low	25.8	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	77%	0.77	S	S	*	*				94.7	85.9	109.5	-123.2	176.2	179.4	0	0	110.3
689	F	28.9	Very low	26	Very low	217 Å²	217	150.2 Å²	150.2	95%	0.952	77%	0.771	S	S	*	*			trans	-152.1	89.4	143.9	-104.5	-86.2	0	0	0	108.8
690	N	27.1	Very low	26.7	Very low	158 Å²	158	151.9 Å²	151.9	85%	0.845	76%	0.763	S	S	*	*				13.8	111.1	127	-123.2	-4.3	0	0	0	112.3
691	M	26.3	Very low	27.6	Very low	142 Å²	142	148.8 Å²	148.8	70%	0.7	76%	0.757	S	S	*	*				59.2	121.8	95.3	-105.2	-118.4	-174.2	0	0	110.7
692	Q	23.3	Very low	28.4	Very low	140 Å²	140	141.6 Å²	141.6	65%	0.654	74%	0.737	S	S	*	*				141.4	0	111.1	-127.1	90.7	12.6	0	0	109.2
693	D	24.7	Very low	29.1	Very low	142 Å²	142	141 Å²	141	76%	0.759	74%	0.738	S	S	*	*				0	0	0	-87.2	-18	0	0	0	109.3
694	Y	27.5	Very low	30.2	Very low	217 Å²	217	137 Å²	137	85%	0.851	71%	0.706	S	S	*	*				0	0	0	-100.3	-85.7	0	0	0	109.1
695	C	23.2	Very low	31.1	Very low	131 Å²	131	130.6 Å²	130.6	89%	0.885	68%	0.677	S	S	*	*				0	0	0	-75.5	0	0	0	0	110.3
696	T	25.4	Very low	32	Very low	111 Å²	111	124.7 Å²	124.7	68%	0.681	65%	0.649	S	S	*	*				0	0	0	45.4	0	0	0	0	108.8
697	A	26.9	Very low	33	Very low	79 Å²	79	120.3 Å²	120.3	65%	0.653	62%	0.623	S	S	*	*				0	71.8	0	0	0	0	0	0	110	N699	A697-N699 PolarHBondContact O-N 3.33Å
698	R	28.4	Very low	34	Very low	217 Å²	217	114.8 Å²	114.8	82%	0.819	59%	0.594	S	S	*	*			trans	-82.3	74.7	171	-91.6	-172.8	-167.4	179.1	-0.6	110.1
699	N	29	Very low	35	Very low	144 Å²	144	107.7 Å²	107.7	77%	0.77	56%	0.564	S	S	*	*			trans	-55.5	0	164.9	-85.4	-19.3	0	0	0	111.7	A697	A697-N699 PolarHBondContact O-N 3.33Å
700	Y	37.8	Very low	35.9	Very low	133 Å²	133	98.3 Å²	98.3	52%	0.522	53%	0.527	S	S	.	.				0	112.4	0	-72.1	-79.7	0	0	0	110.5	T702	Y700-T702 PolarHBondContact O-N 3.34Å
701	P	43.8	Very low	36.9	Very low	97 Å²	97	92.2 Å²	92.2	63%	0.63	50%	0.496	S	S	*	.	S	Bend	trans	-66.7	0	-170.7	12.7	-2.7	0	0	0	111.8
702	T	43.8	Very low	37.9	Very low	75 Å²	75	87.1 Å²	87.1	46%	0.46	48%	0.476	S	S	.	.				0	123.9	0	51.2	0	0	0	0	108.9	Y700 Y704 D705	Y700-T702 PolarHBondContact O-N 3.34Å; T702-Y704 PolarHBondContact O-N 3.23Å; T702-D705 PolarHBondContact O-N 3Å; T702-D705 VanDerWaalsContact O-N 3.17Å
703	A	40.8	Very low	39	Very low	89 Å²	89	81.8 Å²	81.8	74%	0.736	46%	0.456	S	S	*	.	H	α-helix	trans	-23.2	-12.1	162.5	0	0	0	0	0	111.5	Y707	A703-Y707 WeakPolarHBondContact O-CB 3.13Å; A703-Y707 PolarHBondContact O-N 2.84Å
704	Y	46.1	Very low	40.1	Very low	29 Å²	29	76.9 Å²	76.9	11%	0.114	44%	0.435	C	S	.	.	H	α-helix	trans	-93	-39.3	-174.8	-172.9	-97.9	0	0	0	110.8	K206 T702 A706 Y707 S708	K206-Y704 HydrophobicContact CB-CE1 4.41Å; K206-Y704 HydrophobicContact CB-CE2 4.49Å; K206-Y704 VanDerWaalsContact CB-OH 3.22Å; K206-Y704 WeakPolarHBondContact CB-OH 3.29Å; K206-Y704 HydrophobicContact CD-CD1 4.38Å; K206-Y704 HydrophobicContact CD-CD2 3.48Å; K206-Y704 VanDerWaalsContact CD-CD2 3.48Å; K206-Y704 HydrophobicContact CD-CE1 3.75Å; K206-Y704 HydrophobicContact CD-CE2 2.66Å; K206-Y704 HydrophobicContact CD-CG 4.26Å; K206-Y704 WeakPolarHBondContact CD-OH 3.23Å; K206-Y704 WeakPolarHBondContact CE-OH 3.49Å; K206-Y704 HydrophobicContact CG-CE1 4.22Å; K206-Y704 HydrophobicContact CG-CE2 3.49Å; K206-Y704 VanDerWaalsContact CG-CE2 3.49Å; K206-Y704 WeakPolarHBondContact CG-OH 3.17Å; T702-Y704 PolarHBondContact O-N 3.23Å; Y704-A706 PolarHBondContact O-N 3.04Å; Y704-Y707 CarbonylContact O-C 3.58Å; Y704-Y707 WeakPolarHBondContact O-CA 2.84Å; Y704-Y707 WeakPolarHBondContact O-CB 3.32Å; Y704-Y707 PolarHBondContact O-N 3.29Å; Y704-S708 PolarHBondContact O-N 3.31Å
705	D	45.3	Very low	41.1	Very low	41 Å²	41	67.3 Å²	67.3	22%	0.219	40%	0.401	C	S	.	.	H	α-helix	trans	-66.9	-26.7	177.2	-74.1	-20.7	0	0	0	110.9	T702 Y707 A709	T702-D705 PolarHBondContact O-N 3Å; T702-D705 VanDerWaalsContact O-N 3.17Å; D705-Y707 VanDerWaalsContact C-N 3.33Å; D705-A709 PolarHBondContact O-N 3.06Å
706	A	46.7	Very low	42.3	Very low	24 Å²	24	61.9 Å²	61.9	20%	0.198	36%	0.364	C	S	.	.	H	α-helix	trans	-78	-29.4	173.8	0	0	0	0	0	111	Y704 A710	Y704-A706 PolarHBondContact O-N 3.04Å; A706-A710 PolarHBondContact O-N 2.88Å
707	Y	47.5	Very low	43.5	Very low	48 Å²	48	58.9 Å²	58.9	19%	0.188	35%	0.345	C	S	.	.	H	α-helix	trans	-73.4	-44.3	178	177.1	-100.7	0	0	0	110.9	A703 Y704 D705 A709 A710 V711 I1217	A703-Y707 WeakPolarHBondContact O-CB 3.13Å; A703-Y707 PolarHBondContact O-N 2.84Å; Y704-Y707 CarbonylContact O-C 3.58Å; Y704-Y707 WeakPolarHBondContact O-CA 2.84Å; Y704-Y707 WeakPolarHBondContact O-CB 3.32Å; Y704-Y707 PolarHBondContact O-N 3.29Å; D705-Y707 VanDerWaalsContact C-N 3.33Å; Y707-A709 VanDerWaalsContact C-N 3.25Å; Y707-A709 PolarHBondContact O-N 3.31Å; Y707-A710 PolarHBondContact O-N 3.3Å; Y707-V711 HydrophobicContact CD1-CG2 4.27Å; Y707-V711 HydrophobicContact CE1-CG2 3.93Å; Y707-V711 HydrophobicContact CE2-CG2 4.29Å; Y707-V711 VanDerWaalsContact O-CG2 3.22Å; Y707-V711 WeakPolarHBondContact O-CG2 3.26Å; Y707-V711 PolarHBondContact O-N 3.19Å; Y707-V711 VanDerWaalsContact O-N 3.1Å; Y707-I1217 CarbonylContact C-O 3.54Å; Y707-I1217 WeakPolarHBondContact CA-O 2.12Å; Y707-I1217 HydrophobicContact CD2-CB 4.39Å; Y707-I1217 HydrophobicContact CD2-CG2 4.02Å; Y707-I1217 WeakPolarHBondContact CD2-O 3.47Å; Y707-I1217 WeakPolarHBondContact CD2-OXT 3.18Å; Y707-I1217 HydrophobicContact CE2-CB 4.4Å; Y707-I1217 HydrophobicContact CE2-CG2 3.69Å; Y707-I1217 CarbonylContact O-C 3.37Å
708	S	46.2	Very low	44.5	Very low	7 Å²	7	56.3 Å²	56.3	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-68.5	-32.9	-180	-76.4	0	0	0	0	110.4	R231 Y704 A710 A712	R231-S708 WeakPolarHBondContact CD-OG 3.31Å; R231-S708 PolarHBondContact NH1-OG 3.4Å; Y704-S708 PolarHBondContact O-N 3.31Å; S708-A710 VanDerWaalsContact C-N 3.3Å; S708-A712 WeakPolarHBondContact O-CB 3.23Å; S708-A712 PolarHBondContact O-N 2.9Å; S708-A712 VanDerWaalsContact O-N 3.12Å
709	A	47.2	Very low	45.4	Very low	20 Å²	20	47.1 Å²	47.1	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-74.3	-33.6	177.1	0	0	0	0	0	110.9	N101 D705 Y707 A713	N101-A709 WeakPolarHBondContact OD1-CB 3.35Å; D705-A709 PolarHBondContact O-N 3.06Å; Y707-A709 VanDerWaalsContact C-N 3.25Å; Y707-A709 PolarHBondContact O-N 3.31Å; A709-A713 WeakPolarHBondContact O-CB 3.5Å; A709-A713 PolarHBondContact O-N 3.29Å
710	A	48.2	Very low	46	Very low	21 Å²	21	41.8 Å²	41.8	17%	0.174	27%	0.27	C	S	.	.	H	α-helix	trans	-73.2	-38.5	178.5	0	0	0	0	0	111.1	A706 Y707 S708 A712 A713 A714 A1216 I1217	A706-A710 PolarHBondContact O-N 2.88Å; Y707-A710 PolarHBondContact O-N 3.3Å; S708-A710 VanDerWaalsContact C-N 3.3Å; A710-A712 VanDerWaalsContact C-N 3.34Å; A710-A713 WeakPolarHBondContact O-CB 3.4Å; A710-A713 PolarHBondContact O-N 3.39Å; A710-A714 PolarHBondContact O-N 3Å; A710-A1216 WeakPolarHBondContact CB-O 3.08Å; A710-I1217 WeakPolarHBondContact CB-O 3.23Å
711	V	48	Very low	46.5	Very low	30 Å²	30	37.6 Å²	37.6	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-39.8	177.9	173	0	0	0	0	109.2	Y707 A713 A714 A715 I1217	Y707-V711 HydrophobicContact CD1-CG2 4.27Å; Y707-V711 HydrophobicContact CE1-CG2 3.93Å; Y707-V711 HydrophobicContact CE2-CG2 4.29Å; Y707-V711 VanDerWaalsContact O-CG2 3.22Å; Y707-V711 WeakPolarHBondContact O-CG2 3.26Å; Y707-V711 PolarHBondContact O-N 3.19Å; Y707-V711 VanDerWaalsContact O-N 3.1Å; V711-A713 PolarHBondContact O-N 3.27Å; V711-A714 PolarHBondContact O-N 3.33Å; V711-A715 WeakPolarHBondContact O-CB 3.41Å; V711-A715 PolarHBondContact O-N 3.3Å; V711-I1217 HydrophobicContact CG2-CG2 4.07Å
712	A	47.4	Very low	46.5	Very low	34 Å²	34	37.5 Å²	37.5	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-34.9	176.4	0	0	0	0	0	110.7	S708 A710 V716	S708-A712 WeakPolarHBondContact O-CB 3.23Å; S708-A712 PolarHBondContact O-N 2.9Å; S708-A712 VanDerWaalsContact O-N 3.12Å; A710-A712 VanDerWaalsContact C-N 3.34Å; A712-V716 WeakPolarHBondContact O-CB 3.46Å; A712-V716 WeakPolarHBondContact O-CG2 3.33Å; A712-V716 PolarHBondContact O-N 3.48Å
713	A	46	Very low	46.3	Very low	28 Å²	28	36 Å²	36	23%	0.231	25%	0.245	C	C	.	.	H	α-helix	trans	-72.1	-41	178.4	0	0	0	0	0	110.6	A709 A710 V711 A715 V716 V717	A709-A713 WeakPolarHBondContact O-CB 3.5Å; A709-A713 PolarHBondContact O-N 3.29Å; A710-A713 WeakPolarHBondContact O-CB 3.4Å; A710-A713 PolarHBondContact O-N 3.39Å; V711-A713 PolarHBondContact O-N 3.27Å; A713-A715 VanDerWaalsContact C-N 3.33Å; A713-V716 WeakPolarHBondContact O-CB 3.39Å; A713-V716 PolarHBondContact O-N 3.32Å; A713-V717 WeakPolarHBondContact O-CG2 2.98Å; A713-V717 PolarHBondContact O-N 3.21Å
714	A	48.2	Very low	46	Very low	40 Å²	40	34.8 Å²	34.8	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-38.3	177.5	0	0	0	0	0	111	A710 V711 V716 V717 A718	A710-A714 PolarHBondContact O-N 3Å; V711-A714 PolarHBondContact O-N 3.33Å; A714-V716 PolarHBondContact O-N 3.46Å; A714-V717 PolarHBondContact O-N 2.9Å; A714-A718 WeakPolarHBondContact O-CB 3.46Å; A714-A718 PolarHBondContact O-N 2.84Å
715	A	47.1	Very low	45.6	Very low	16 Å²	16	39.6 Å²	39.6	13%	0.132	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-32.6	177.2	0	0	0	0	0	110.7	F89 V711 A713 A718 A719	F89-A715 HydrophobicContact CE1-CB 4.25Å; F89-A715 HydrophobicContact CZ-CB 4.36Å; V711-A715 WeakPolarHBondContact O-CB 3.41Å; V711-A715 PolarHBondContact O-N 3.3Å; A713-A715 VanDerWaalsContact C-N 3.33Å; A715-A718 PolarHBondContact O-N 3.05Å; A715-A719 WeakPolarHBondContact O-CB 3.18Å; A715-A719 PolarHBondContact O-N 3.32Å
716	V	49	Very low	45.4	Very low	17 Å²	17	41.3 Å²	41.3	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-73.6	-35.9	179.1	172.1	0	0	0	0	109.3	F89 F94 I97 A712 A713 A714 A718 A719 A720	F89-V716 HydrophobicContact CD1-CG2 4.44Å; F89-V716 HydrophobicContact CE1-CG2 4.48Å; F94-V716 HydrophobicContact CE2-CG1 4.28Å; F94-V716 HydrophobicContact CZ-CG1 4.31Å; I97-V716 HydrophobicContact CD1-CB 4.3Å; I97-V716 HydrophobicContact CD1-CG1 4.26Å; I97-V716 HydrophobicContact CD1-CG2 3.2Å; A712-V716 WeakPolarHBondContact O-CB 3.46Å; A712-V716 WeakPolarHBondContact O-CG2 3.33Å; A712-V716 PolarHBondContact O-N 3.48Å; A713-V716 WeakPolarHBondContact O-CB 3.39Å; A713-V716 PolarHBondContact O-N 3.32Å; A714-V716 PolarHBondContact O-N 3.46Å; V716-A718 VanDerWaalsContact C-N 3.28Å; V716-A718 PolarHBondContact O-N 2.26Å; V716-A719 PolarHBondContact O-N 2.86Å; V716-A720 WeakPolarHBondContact O-CB 3.36Å; V716-A720 PolarHBondContact O-N 3.1Å
717	V	49.9	Very low	44.9	Very low	48 Å²	48	45.1 Å²	45.1	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-73.2	-34.2	-180	171.9	0	0	0	0	109.4	A713 A714 A719 A720 T721	A713-V717 WeakPolarHBondContact O-CG2 2.98Å; A713-V717 PolarHBondContact O-N 3.21Å; A714-V717 PolarHBondContact O-N 2.9Å; V717-A719 VanDerWaalsContact C-N 3.26Å; V717-A719 PolarHBondContact O-N 2.76Å; V717-A720 PolarHBondContact O-N 3.12Å; V717-T721 HydrophobicContact CG1-CG2 4.1Å; V717-T721 VanDerWaalsContact O-CB 3.31Å; V717-T721 WeakPolarHBondContact O-CB 3.27Å; V717-T721 WeakPolarHBondContact O-CG2 3.37Å; V717-T721 PolarHBondContact O-N 2.36Å; V717-T721 PolarHBondContact O-OG1 3.33Å
718	A	48.4	Very low	44.2	Very low	25 Å²	25	50.6 Å²	50.6	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-71	-32.6	177	0	0	0	0	0	110.5	A714 A715 V716 T721 N722	A714-A718 WeakPolarHBondContact O-CB 3.46Å; A714-A718 PolarHBondContact O-N 2.84Å; A715-A718 PolarHBondContact O-N 3.05Å; V716-A718 VanDerWaalsContact C-N 3.28Å; V716-A718 PolarHBondContact O-N 2.26Å; A718-T721 WeakPolarHBondContact CA-OG1 3.4Å; A718-T721 PolarHBondContact O-OG1 2.7Å; A718-N722 WeakPolarHBondContact O-CB 3.34Å; A718-N722 VanDerWaalsContact O-CG 3.3Å; A718-N722 PolarHBondContact O-N 3.29Å; A718-N722 PolarHBondContact O-ND2 3.11Å
719	A	47.1	Very low	43.6	Very low	23 Å²	23	59.1 Å²	59.1	19%	0.19	34%	0.343	C	S	.	.	H	α-helix	trans	-77.2	0	178.2	0	0	0	0	0	110.3	F89 A715 V716 V717 N722 S723	F89-A719 HydrophobicContact CB-CB 4.44Å; F89-A719 HydrophobicContact CD1-CB 3.95Å; F89-A719 HydrophobicContact CD2-CB 3.62Å; F89-A719 HydrophobicContact CE1-CB 4.05Å; F89-A719 HydrophobicContact CE2-CB 3.71Å; F89-A719 HydrophobicContact CG-CB 3.75Å; F89-A719 HydrophobicContact CZ-CB 3.93Å; A715-A719 WeakPolarHBondContact O-CB 3.18Å; A715-A719 PolarHBondContact O-N 3.32Å; V716-A719 PolarHBondContact O-N 2.86Å; V717-A719 VanDerWaalsContact C-N 3.26Å; V717-A719 PolarHBondContact O-N 2.76Å; A719-N722 PolarHBondContact O-N 3.14Å; A719-S723 PolarHBondContact O-N 3.43Å; A719-S723 VanDerWaalsContact O-N 3.15Å
720	A	42.8	Very low	42.7	Very low	33 Å²	33	62.4 Å²	62.4	27%	0.273	37%	0.365	S	S	.	.	H	α-helix		0	-28.7	0	0	0	0	0	0	110.7	F94 V716 V717 N722 S723 C724	F94-A720 HydrophobicContact CE2-CB 4.41Å; F94-A720 HydrophobicContact CZ-CB 4.25Å; V716-A720 WeakPolarHBondContact O-CB 3.36Å; V716-A720 PolarHBondContact O-N 3.1Å; V717-A720 PolarHBondContact O-N 3.12Å; A720-N722 PolarHBondContact O-N 3.42Å; A720-S723 CarbonylContact O-C 3.5Å; A720-S723 PolarHBondContact O-N 3.01Å; A720-C724 WeakPolarHBondContact O-CB 3.4Å; A720-C724 PolarHBondContact O-N 2.79Å
721	T	48.1	Very low	41.8	Very low	44 Å²	44	66.8 Å²	66.8	27%	0.27	38%	0.381	S	S	.	.	H	α-helix	trans	-76.6	-23.5	178.3	49.3	0	0	0	0	110.1	V717 A718 S723 N725	V717-T721 HydrophobicContact CG1-CG2 4.1Å; V717-T721 VanDerWaalsContact O-CB 3.31Å; V717-T721 WeakPolarHBondContact O-CB 3.27Å; V717-T721 WeakPolarHBondContact O-CG2 3.37Å; V717-T721 PolarHBondContact O-N 2.36Å; V717-T721 PolarHBondContact O-OG1 3.33Å; A718-T721 WeakPolarHBondContact CA-OG1 3.4Å; A718-T721 PolarHBondContact O-OG1 2.7Å; T721-S723 VanDerWaalsContact C-N 3.28Å; T721-N725 PolarHBondContact O-N 1.54Å
722	N	42.7	Very low	40.7	Very low	96 Å²	96	72 Å²	72	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-84.4	-14.8	177.2	-83.6	-16	0	0	0	111	A718 A719 A720	A718-N722 WeakPolarHBondContact O-CB 3.34Å; A718-N722 VanDerWaalsContact O-CG 3.3Å; A718-N722 PolarHBondContact O-N 3.29Å; A718-N722 PolarHBondContact O-ND2 3.11Å; A719-N722 PolarHBondContact O-N 3.14Å; A720-N722 PolarHBondContact O-N 3.42Å
723	S	40	Very low	39.9	Very low	44 Å²	44	77.2 Å²	77.2	31%	0.308	43%	0.427	S	S	.	.	H	α-helix	trans	-100.1	-10.3	177	-118	0	0	0	0	110.5	A719 A720 T721 Q726 K727	A719-S723 PolarHBondContact O-N 3.43Å; A719-S723 VanDerWaalsContact O-N 3.15Å; A720-S723 CarbonylContact O-C 3.5Å; A720-S723 PolarHBondContact O-N 3.01Å; T721-S723 VanDerWaalsContact C-N 3.28Å; S723-Q726 PolarHBondContact O-N 1.95Å; S723-K727 PolarHBondContact O-N 2.48Å
724	C	35	Very low	39.3	Very low	62 Å²	62	83.9 Å²	83.9	42%	0.419	45%	0.453	S	S	.	.	H	α-helix	trans	-103.4	0	-177.5	-132.2	0	0	0	0	109.8	A720 H728	A720-C724 WeakPolarHBondContact O-CB 3.4Å; A720-C724 PolarHBondContact O-N 2.79Å; C724-H728 PolarHBondContact O-CD2 3.09Å; C724-H728 PolarHBondContact O-N 2.86Å
725	N	36.8	Very low	38.4	Very low	131 Å²	131	88.6 Å²	88.6	70%	0.701	47%	0.472	S	S	*	.	H	α-helix		0	0	0	-85.6	-19.7	0	0	0	110.9	T721	T721-N725 PolarHBondContact O-N 1.54Å
726	Q	41.5	Very low	37.5	Very low	77 Å²	77	94.2 Å²	94.2	36%	0.36	51%	0.505	S	S	.	.	H	α-helix		0	0	0	-85.9	-176.7	5.9	0	0	110.4	L59 Y82 S723 S730	L59-Q726 PolarHBondContact O-NE2 2.87Å; Y82-Q726 PolarHBondContact OH-OE1 3.22Å; S723-Q726 PolarHBondContact O-N 1.95Å; Q726-S730 PolarHBondContact O-OG 3.11Å
727	K	35.4	Very low	36.3	Very low	103 Å²	103	98 Å²	98	45%	0.448	53%	0.532	S	S	.	.	H	α-helix		0	0	0	-94.8	-175.3	-178.1	179.8	0	109.9	S723 Q731	S723-K727 PolarHBondContact O-N 2.48Å; K727-Q731 HydrophobicContact CB-CG 4.4Å; K727-Q731 HydrophobicContact CD-CG 4.37Å; K727-Q731 VanDerWaalsContact CD-OE1 3.32Å; K727-Q731 VanDerWaalsContact CG-CD 3.43Å; K727-Q731 HydrophobicContact CG-CG 4.02Å; K727-Q731 WeakPolarHBondContact O-CB 3.3Å; K727-Q731 PolarHBondContact O-N 3.36Å
728	H	33.8	Very low	35.2	Very low	163 Å²	163	104.2 Å²	104.2	76%	0.755	56%	0.563	S	S	*	*	S	Bend		0	0	0	-92.1	-59.6	0	0	0	110.2	C724	C724-H728 PolarHBondContact O-CD2 3.09Å; C724-H728 PolarHBondContact O-N 2.86Å
729	Q	32.2	Very low	34.1	Very low	187 Å²	187	108.5 Å²	108.5	87%	0.874	59%	0.588	S	S	*	*	S	Bend		0	0	0	-99.9	177.8	13	0	0	109.7
730	S	29.5	Very low	33.2	Very low	88 Å²	88	116.4 Å²	116.4	62%	0.615	62%	0.621	S	S	*	*	S	Bend		0	0	0	53.9	0	0	0	0	109.2	Q726	Q726-S730 PolarHBondContact O-OG 3.11Å
731	Q	28.7	Very low	32.6	Very low	113 Å²	113	122.8 Å²	122.8	53%	0.528	65%	0.646	S	S	.	*				0	0	0	-90.7	-173.1	-3.9	0	0	109.2	K727	K727-Q731 HydrophobicContact CB-CG 4.4Å; K727-Q731 HydrophobicContact CD-CG 4.37Å; K727-Q731 VanDerWaalsContact CD-OE1 3.32Å; K727-Q731 VanDerWaalsContact CG-CD 3.43Å; K727-Q731 HydrophobicContact CG-CG 4.02Å; K727-Q731 WeakPolarHBondContact O-CB 3.3Å; K727-Q731 PolarHBondContact O-N 3.36Å
732	N	25.8	Very low	31.7	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	66%	0.662	S	S	*	*				0	68.9	0	-86.5	-22	0	0	0	110
733	H	30.4	Very low	31.2	Very low	143 Å²	143	131.9 Å²	131.9	66%	0.662	68%	0.676	S	S	*	*			trans	-163.7	0	156	-88.6	-61.2	0	0	0	109.3
734	H	32.3	Very low	30.8	Very low	168 Å²	168	133.6 Å²	133.6	78%	0.778	69%	0.688	S	S	*	*				0	0	0	-98.6	-35.2	0	0	0	109.5
735	N	29	Very low	30.9	Very low	139 Å²	139	137 Å²	137	74%	0.743	70%	0.698	S	S	*	*				0	0	0	-88	-17.1	0	0	0	109.7
736	V	28.6	Very low	30.9	Very low	134 Å²	134	137.2 Å²	137.2	81%	0.812	70%	0.695	S	S	*	*				0	92.5	0	176.6	0	0	0	0	107.9
737	S	24.9	Very low	30.9	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	70%	0.697	S	S	*	*				87.4	83.3	113.1	48.1	0	0	0	0	110.4
738	L	27	Very low	31.1	Very low	178 Å²	178	136.2 Å²	136.2	93%	0.932	70%	0.699	S	S	*	*			trans	-155.6	0	141.6	-124.1	100.5	0	0	0	109.2
739	P	24.5	Very low	31.4	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	69%	0.685	S	S	*	*				0	0	0	29.3	-1.4	0	0	0	111.9
740	Q	27.3	Very low	32	Very low	189 Å²	189	130 Å²	130	88%	0.883	67%	0.673	S	S	*	*	S	Bend		0	51.5	0	-99.1	176.1	3.1	0	0	109.4
741	Q	31.9	Very low	32.5	Very low	168 Å²	168	131.1 Å²	131.1	79%	0.785	67%	0.668	S	S	*	*	S	Bend	trans	-172.5	0	168.9	-108	-176.1	-22.9	0	0	109.5
742	Y	29.4	Very low	33.5	Very low	158 Å²	158	129 Å²	129	62%	0.62	66%	0.66	S	S	*	*	S	Bend		0	26.3	0	-108.8	-90.1	0	0	0	109.3
743	Q	30.7	Very low	34.3	Very low	172 Å²	172	130 Å²	130	80%	0.804	65%	0.653	S	S	*	*	S	Bend	trans	-120	14.9	168.8	-126.3	169.4	0.9	0	0	109.8	T747	Q743-T747 PolarHBondContact O-OG1 2.91Å
744	S	32.2	Very low	34.8	Very low	81 Å²	81	128.4 Å²	128.4	57%	0.566	65%	0.646	S	S	*	*	H	α-helix	trans	-122.6	0	176.6	51.8	0	0	0	0	109.7	T747 L748	S744-T747 VanDerWaalsContact CA-OG1 3.31Å; S744-T747 WeakPolarHBondContact CA-OG1 3.06Å; S744-T747 PolarHBondContact O-OG1 3.02Å; S744-L748 WeakPolarHBondContact O-CB 3.46Å
745	Q	37.3	Very low	34.9	Very low	133 Å²	133	129.3 Å²	129.3	62%	0.621	64%	0.644	S	S	*	*	H	α-helix		0	-8.4	0	-145.8	149.7	14.5	0	0	110.2	D749	Q745-D749 PolarHBondContact O-N 3.17Å
746	Q	37.1	Very low	35.5	Very low	135 Å²	135	132.2 Å²	132.2	63%	0.631	65%	0.645	S	S	*	*	H	α-helix	trans	-101.4	-14.6	172	-95.4	-179.3	11.4	0	0	110.5	Q750	Q746-Q750 WeakPolarHBondContact O-CB 3.23Å; Q746-Q750 WeakPolarHBondContact O-CG 3.34Å; Q746-Q750 PolarHBondContact O-N 3.16Å; Q746-Q750 VanDerWaalsContact O-N 3.15Å; Q746-Q750 PolarHBondContact O-OE1 2.79Å
747	T	40	Very low	36	Very low	66 Å²	66	132.8 Å²	132.8	41%	0.405	64%	0.638	S	S	.	*	H	α-helix	trans	-91	-10.3	170.3	35	0	0	0	0	110.1	Q743 S744 E751	Q743-T747 PolarHBondContact O-OG1 2.91Å; S744-T747 VanDerWaalsContact CA-OG1 3.31Å; S744-T747 WeakPolarHBondContact CA-OG1 3.06Å; S744-T747 PolarHBondContact O-OG1 3.02Å; T747-E751 WeakPolarHBondContact O-CA 3.09Å; T747-E751 WeakPolarHBondContact O-CB 3.49Å; T747-E751 WeakPolarHBondContact O-CG 3.16Å; T747-E751 PolarHBondContact O-N 3.3Å
748	L	39.7	Very low	36.7	Very low	94 Å²	94	134.7 Å²	134.7	49%	0.492	64%	0.636	S	S	.	*	H	α-helix	trans	-100.5	0	178.7	-168.3	79	0	0	0	110	S744 E751 I752	S744-L748 WeakPolarHBondContact O-CB 3.46Å; L748-E751 PolarHBondContact O-N 3.31Å; L748-I752 HydrophobicContact CD2-CD1 4.36Å; L748-I752 HydrophobicContact CG-CD1 3.93Å; L748-I752 HydrophobicContact CG-CG1 4.39Å; L748-I752 WeakPolarHBondContact O-CB 3.24Å; L748-I752 VanDerWaalsContact O-CD1 3.23Å; L748-I752 WeakPolarHBondContact O-CD1 3.27Å; L748-I752 WeakPolarHBondContact O-CG1 3.5Å; L748-I752 PolarHBondContact O-N 2.88Å
749	D	41.3	Very low	37.1	Very low	85 Å²	85	128.8 Å²	128.8	46%	0.455	62%	0.618	S	S	.	*	H	α-helix		0	0	0	-101	-10.8	0	0	0	110.8	Q745 R753	Q745-D749 PolarHBondContact O-N 3.17Å; D749-R753 WeakPolarHBondContact O-CB 3.45Å; D749-R753 VanDerWaalsContact O-CG 3.22Å; D749-R753 WeakPolarHBondContact O-CG 3.29Å; D749-R753 PolarHBondContact O-N 3.36Å
750	Q	44.1	Very low	37.5	Very low	134 Å²	134	130.4 Å²	130.4	63%	0.626	62%	0.62	S	S	*	*	H	α-helix		0	0	0	-89.3	179.1	-10.4	0	0	110.7	Q746 H754	Q746-Q750 WeakPolarHBondContact O-CB 3.23Å; Q746-Q750 WeakPolarHBondContact O-CG 3.34Å; Q746-Q750 PolarHBondContact O-N 3.16Å; Q746-Q750 VanDerWaalsContact O-N 3.15Å; Q746-Q750 PolarHBondContact O-OE1 2.79Å; Q750-H754 WeakPolarHBondContact O-CA 2.99Å; Q750-H754 WeakPolarHBondContact O-CB 3.04Å; Q750-H754 PolarHBondContact O-N 2.66Å
751	E	39.6	Very low	37.5	Very low	111 Å²	111	128.5 Å²	128.5	52%	0.519	62%	0.616	S	S	.	*	H	α-helix		0	0	0	-99.3	-178.2	177.4	0	0	110.6	T747 L748 Y755	T747-E751 WeakPolarHBondContact O-CA 3.09Å; T747-E751 WeakPolarHBondContact O-CB 3.49Å; T747-E751 WeakPolarHBondContact O-CG 3.16Å; T747-E751 PolarHBondContact O-N 3.3Å; L748-E751 PolarHBondContact O-N 3.31Å; E751-Y755 WeakPolarHBondContact O-CB 3.31Å; E751-Y755 WeakPolarHBondContact O-CD2 3.48Å; E751-Y755 PolarHBondContact O-N 3.27Å
752	I	50	Low	37.3	Very low	69 Å²	69	126.4 Å²	126.4	35%	0.354	62%	0.62	S	S	.	*	H	α-helix		0	0	0	-70.1	175.7	0	0	0	108.8	L748 R756	L748-I752 HydrophobicContact CD2-CD1 4.36Å; L748-I752 HydrophobicContact CG-CD1 3.93Å; L748-I752 HydrophobicContact CG-CG1 4.39Å; L748-I752 WeakPolarHBondContact O-CB 3.24Å; L748-I752 VanDerWaalsContact O-CD1 3.23Å; L748-I752 WeakPolarHBondContact O-CD1 3.27Å; L748-I752 WeakPolarHBondContact O-CG1 3.5Å; L748-I752 PolarHBondContact O-N 2.88Å; I752-R756 WeakPolarHBondContact O-CB 3.29Å; I752-R756 PolarHBondContact O-N 2.91Å
753	R	42.1	Very low	37.2	Very low	160 Å²	160	124.2 Å²	124.2	60%	0.604	63%	0.627	S	S	*	*	H	α-helix		0	0	0	-87.4	-167.4	-120.7	164.3	0.1	110.5	D749 Q757	D749-R753 WeakPolarHBondContact O-CB 3.45Å; D749-R753 VanDerWaalsContact O-CG 3.22Å; D749-R753 WeakPolarHBondContact O-CG 3.29Å; D749-R753 PolarHBondContact O-N 3.36Å; R753-Q757 WeakPolarHBondContact O-CB 2.89Å; R753-Q757 WeakPolarHBondContact O-CG 3.34Å; R753-Q757 PolarHBondContact O-N 2.74Å
754	H	41.5	Very low	37.2	Very low	111 Å²	111	124 Å²	124	51%	0.514	63%	0.626	S	S	.	*	H	α-helix		0	0	0	-163.3	68.7	0	0	0	110.4	Q750 H758	Q750-H754 WeakPolarHBondContact O-CA 2.99Å; Q750-H754 WeakPolarHBondContact O-CB 3.04Å; Q750-H754 PolarHBondContact O-N 2.66Å; H754-H758 AromaticContact CD2-CD2 3.84Å; H754-H758 AromaticContact CE1-CD2 3.25Å; H754-H758 PolarHBondContact CE1-CD2 3.35Å; H754-H758 AromaticContact CE1-NE2 3.14Å; H754-H758 PolarHBondContact CE1-NE2 3.33Å; H754-H758 AromaticContact CG-CD2 3.81Å; H754-H758 AromaticContact ND1-CD2 3.47Å; H754-H758 PolarHBondContact ND1-CD2 3.01Å; H754-H758 AromaticContact ND1-NE2 3.69Å; H754-H758 AromaticContact NE2-CD2 3.48Å; H754-H758 PolarHBondContact NE2-CD2 3.4Å; H754-H758 AromaticContact NE2-NE2 3.66Å; H754-H758 WeakPolarHBondContact O-CB 3.24Å; H754-H758 PolarHBondContact O-CD2 3.31Å; H754-H758 PolarHBondContact O-N 2.82Å
755	Y	35.4	Very low	37	Very low	187 Å²	187	128.5 Å²	128.5	73%	0.733	64%	0.636	S	S	*	*	H	α-helix		0	0	0	-100.4	-80.8	0	0	0	110.1	E751	E751-Y755 WeakPolarHBondContact O-CB 3.31Å; E751-Y755 WeakPolarHBondContact O-CD2 3.48Å; E751-Y755 PolarHBondContact O-N 3.27Å
756	R	40.8	Very low	36.6	Very low	200 Å²	200	130.6 Å²	130.6	76%	0.755	65%	0.65	S	S	*	*	H	α-helix		0	-10.9	0	-113	-171.8	-151.8	161.8	-0.4	110.3	I752	I752-R756 WeakPolarHBondContact O-CB 3.29Å; I752-R756 PolarHBondContact O-N 2.91Å
757	Q	39.8	Very low	36.2	Very low	146 Å²	146	130 Å²	130	68%	0.682	66%	0.656	S	S	*	*	H	α-helix	trans	-109	0	179.3	-95.5	-179.1	1	0	0	110.2	R753	R753-Q757 WeakPolarHBondContact O-CB 2.89Å; R753-Q757 WeakPolarHBondContact O-CG 3.34Å; R753-Q757 PolarHBondContact O-N 2.74Å
758	H	39.4	Very low	35.6	Very low	137 Å²	137	133.5 Å²	133.5	63%	0.634	67%	0.672	S	S	*	*	S	Bend		0	0	0	-81.4	-70.7	0	0	0	109.8	H754	H754-H758 AromaticContact CD2-CD2 3.84Å; H754-H758 AromaticContact CE1-CD2 3.25Å; H754-H758 PolarHBondContact CE1-CD2 3.35Å; H754-H758 AromaticContact CE1-NE2 3.14Å; H754-H758 PolarHBondContact CE1-NE2 3.33Å; H754-H758 AromaticContact CG-CD2 3.81Å; H754-H758 AromaticContact ND1-CD2 3.47Å; H754-H758 PolarHBondContact ND1-CD2 3.01Å; H754-H758 AromaticContact ND1-NE2 3.69Å; H754-H758 AromaticContact NE2-CD2 3.48Å; H754-H758 PolarHBondContact NE2-CD2 3.4Å; H754-H758 AromaticContact NE2-NE2 3.66Å; H754-H758 WeakPolarHBondContact O-CB 3.24Å; H754-H758 PolarHBondContact O-CD2 3.31Å; H754-H758 PolarHBondContact O-N 2.82Å
759	G	35.4	Very low	35.2	Very low	54 Å²	54	134 Å²	134	56%	0.557	68%	0.68	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	110.2
760	L	31.8	Very low	34.8	Very low	148 Å²	148	137 Å²	137	78%	0.775	70%	0.695	S	S	*	*	S	Bend		0	0	0	-79.8	163.5	0	0	0	109
761	N	27.1	Very low	34	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	70%	0.703	S	S	*	*				0	84.6	0	-83.9	-14.9	0	0	0	109.7
762	S	28.3	Very low	33.7	Very low	124 Å²	124	138 Å²	138	87%	0.867	71%	0.711	S	S	*	*			trans	173.1	79	139.2	179	0	0	0	0	109.2
763	S	27.7	Very low	32.7	Very low	111 Å²	111	142.3 Å²	142.3	78%	0.776	74%	0.735	S	S	*	*			trans	-121.1	0	152.9	60.6	0	0	0	0	109.8
764	H	30.6	Very low	32.3	Very low	167 Å²	167	140.5 Å²	140.5	77%	0.773	74%	0.742	S	S	*	*	S	Bend		0	90.5	0	-98.6	-79.9	0	0	0	109.3
765	F	27.7	Very low	31.9	Very low	176 Å²	176	142.4 Å²	142.4	77%	0.772	75%	0.754	S	S	*	*				148.9	85.9	126.4	-103.6	-84	0	0	0	108.9
766	L	29.1	Very low	31.7	Very low	177 Å²	177	144.1 Å²	144.1	93%	0.927	76%	0.76	S	S	*	*			trans	-156.4	94.5	138	-85.4	156.6	0	0	0	109.2
767	T	28.7	Very low	31.3	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	76%	0.762	S	S	*	*			trans	-40.3	105.8	139.6	55.9	0	0	0	0	111
768	N	28.6	Very low	31	Very low	139 Å²	139	144.3 Å²	144.3	74%	0.743	77%	0.767	S	S	*	*				131.9	101.6	121.8	-111.1	-2	0	0	0	110
769	T	30.7	Very low	30.7	Very low	106 Å²	106	145.7 Å²	145.7	65%	0.65	77%	0.773	S	S	*	*				119.6	106.3	111	50.2	0	0	0	0	109.1
770	N	31.9	Very low	30.6	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	78%	0.781	S	S	*	*				120.4	103.9	110	-91.2	-8.9	0	0	0	109.9
771	E	27.7	Very low	30.7	Very low	171 Å²	171	148.9 Å²	148.9	80%	0.799	78%	0.782	S	S	*	*				54.6	82.3	99.7	-86	-173.1	172.7	0	0	111
772	S	33.1	Very low	31	Very low	97 Å²	97	149.1 Å²	149.1	68%	0.678	78%	0.783	S	S	*	*			trans	174.8	52.9	144.3	3.2	0	0	0	0	109.3
773	N	30.3	Very low	31.3	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	78%	0.776	S	S	*	*			trans	-157.6	0	157	-87	-17.5	0	0	0	109.8	L775	N773-L775 VanDerWaalsContact C-N 3.3Å; N773-L775 PolarHBondContact O-N 2.83Å; N773-L775 VanDerWaalsContact O-N 3.12Å
774	T	31.9	Very low	31.7	Very low	122 Å²	122	149 Å²	149	75%	0.748	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn		0	50.2	0	6.9	0	0	0	0	109.1
775	L	33	Very low	32.1	Very low	150 Å²	150	144.4 Å²	144.4	79%	0.785	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.2	38.6	163	-103.4	134.7	0	0	0	109.1	N773	N773-L775 VanDerWaalsContact C-N 3.3Å; N773-L775 PolarHBondContact O-N 2.83Å; N773-L775 VanDerWaalsContact O-N 3.12Å
776	R	32.4	Very low	32.7	Very low	224 Å²	224	142.2 Å²	142.2	85%	0.845	75%	0.751	S	S	*	*	S	Bend	trans	-146.8	27	164.6	-114.6	-168.9	-164.6	169.8	0.6	109.6
777	F	32.3	Very low	33	Very low	183 Å²	183	141.2 Å²	141.2	80%	0.803	74%	0.74	S	S	*	*	S	Bend	trans	-138.4	0	177.6	-136.3	-92.3	0	0	0	109.1
778	Q	33.8	Very low	33.4	Very low	166 Å²	166	139.4 Å²	139.4	78%	0.776	73%	0.726	S	S	*	*	S	Bend		0	0	0	-115.8	176.6	-4.3	0	0	109.4
779	Q	33.3	Very low	33.7	Very low	167 Å²	167	138.6 Å²	138.6	78%	0.78	72%	0.72	S	S	*	*	S	Bend		0	40.2	0	-95.3	173.7	0.1	0	0	109.4
780	T	32.9	Very low	33.9	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	72%	0.717	S	S	*	*	S	Bend	trans	-146.4	0	163.8	31.6	0	0	0	0	109
781	L	32.9	Very low	34.2	Very low	151 Å²	151	140.1 Å²	140.1	79%	0.791	71%	0.709	S	S	*	*	S	Bend		0	47.9	0	-84.9	160.3	0	0	0	109.1
782	N	34.7	Very low	34.8	Very low	156 Å²	156	141 Å²	141	83%	0.834	71%	0.705	S	S	*	*			trans	-150.2	49.4	170.9	-85.4	-15.1	0	0	0	109.6	P784	N782-P784 VanDerWaalsContact O-CD 3.27Å; N782-P784 WeakPolarHBondContact O-CD 2.43Å
783	D	34	Very low	35	Very low	131 Å²	131	142.9 Å²	142.9	70%	0.701	70%	0.703	S	S	*	*			trans	-114.7	109.8	168.5	-110.2	-15.3	0	0	0	109.3	S785	D783-S785 PolarHBondContact O-N 2.72Å
784	P	36.7	Very low	35.4	Very low	102 Å²	102	141 Å²	141	66%	0.662	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	38.8	170.9	15.9	1.6	0	0	0	111.8	N782	N782-P784 VanDerWaalsContact O-CD 3.27Å; N782-P784 WeakPolarHBondContact O-CD 2.43Å
785	S	38.4	Very low	36	Very low	70 Å²	70	140.6 Å²	140.6	49%	0.49	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.9	0	179.8	61.4	0	0	0	0	109.7	D783	D783-S785 PolarHBondContact O-N 2.72Å
786	I	40.2	Very low	36.1	Very low	129 Å²	129	136.8 Å²	136.8	66%	0.662	66%	0.664	S	S	*	*	S	Bend		0	2.4	0	-72.5	-177.9	0	0	0	108.6
787	F	35.5	Very low	36.4	Very low	157 Å²	157	132.1 Å²	132.1	69%	0.689	65%	0.652	S	S	*	*	H	α-helix	trans	-107.7	0	171.4	-100.2	-81.2	0	0	0	109.4	R791	F787-R791 PolarHBondContact O-N 3.11Å
788	D	36.3	Very low	37	Very low	85 Å²	85	128.5 Å²	128.5	46%	0.455	64%	0.64	S	S	.	*	H	α-helix		0	0	0	-91.4	-19.7	0	0	0	110.3	R792	D788-R792 WeakPolarHBondContact O-CB 3.48Å; D788-R792 WeakPolarHBondContact O-CG 3.42Å; D788-R792 PolarHBondContact O-N 3.49Å
789	L	35.5	Very low	37.3	Very low	121 Å²	121	127 Å²	127	63%	0.634	63%	0.633	S	S	*	*	H	α-helix		0	-15	0	-108.3	135.2	0	0	0	110	Q793	L789-Q793 WeakPolarHBondContact O-CB 3.28Å; L789-Q793 PolarHBondContact O-N 2.97Å; L789-Q793 VanDerWaalsContact O-N 3.15Å
790	Q	36	Very low	37.3	Very low	123 Å²	123	126.2 Å²	126.2	58%	0.575	62%	0.624	S	S	*	*	H	α-helix	trans	-94.6	-19.3	173	-150.3	160.6	-9.8	0	0	110.3	Q794	Q790-Q794 PolarHBondContact O-N 3.28Å
791	R	37.8	Very low	37.5	Very low	162 Å²	162	124.8 Å²	124.8	61%	0.611	61%	0.612	S	S	*	*	H	α-helix	trans	-87.2	-20.3	171.8	-130.9	-165.3	-82.3	-150.7	-0.3	110.4	F787 Q794 H795	F787-R791 PolarHBondContact O-N 3.11Å; R791-Q794 PolarHBondContact O-N 3.11Å; R791-H795 VanDerWaalsContact O-CB 3.3Å; R791-H795 WeakPolarHBondContact O-CB 3.1Å; R791-H795 PolarHBondContact O-N 2.93Å
792	R	39.1	Very low	37.9	Very low	190 Å²	190	120.3 Å²	120.3	72%	0.717	59%	0.593	S	S	*	*	H	α-helix	trans	-87.4	0	176	-87.7	-174.2	-171.1	176.1	1.3	110.8	D788 S796	D788-R792 WeakPolarHBondContact O-CB 3.48Å; D788-R792 WeakPolarHBondContact O-CG 3.42Å; D788-R792 PolarHBondContact O-N 3.49Å; R792-S796 VanDerWaalsContact O-CB 3.3Å; R792-S796 WeakPolarHBondContact O-CB 3.13Å; R792-S796 PolarHBondContact O-N 2.97Å
793	Q	38.6	Very low	38	Very low	135 Å²	135	115.3 Å²	115.3	63%	0.631	57%	0.57	S	S	*	*	H	α-helix		0	-18.9	0	-109.5	-175.2	1.6	0	0	110.6	L789 Q797	L789-Q793 WeakPolarHBondContact O-CB 3.28Å; L789-Q793 PolarHBondContact O-N 2.97Å; L789-Q793 VanDerWaalsContact O-N 3.15Å; Q793-Q797 WeakPolarHBondContact O-CB 3.35Å; Q793-Q797 PolarHBondContact O-N 2.83Å
794	Q	38.8	Very low	38.2	Very low	119 Å²	119	112.4 Å²	112.4	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-92	0	176.4	-87.4	-165.8	-0.5	0	0	110.2	Q790 R791 Q797 I798	Q790-Q794 PolarHBondContact O-N 3.28Å; R791-Q794 PolarHBondContact O-N 3.11Å; Q794-Q797 PolarHBondContact O-N 3.42Å; Q794-I798 WeakPolarHBondContact O-CB 3.38Å; Q794-I798 WeakPolarHBondContact O-CD1 3.17Å; Q794-I798 WeakPolarHBondContact O-CG1 3.36Å; Q794-I798 PolarHBondContact O-N 3.43Å
795	H	44.4	Very low	38.5	Very low	115 Å²	115	112.8 Å²	112.8	53%	0.532	55%	0.55	S	S	.	.	H	α-helix		0	0	0	-121.3	-78.6	0	0	0	110.3	R791 E799	R791-H795 VanDerWaalsContact O-CB 3.3Å; R791-H795 WeakPolarHBondContact O-CB 3.1Å; R791-H795 PolarHBondContact O-N 2.93Å; H795-E799 VanDerWaalsContact O-CB 3.23Å; H795-E799 WeakPolarHBondContact O-CB 3.48Å; H795-E799 PolarHBondContact O-N 2.81Å
796	S	34.9	Very low	38.5	Very low	70 Å²	70	116.1 Å²	116.1	49%	0.49	56%	0.555	S	S	.	*	H	α-helix		0	0	0	105.2	0	0	0	0	110.5	R792 Y800	R792-S796 VanDerWaalsContact O-CB 3.3Å; R792-S796 WeakPolarHBondContact O-CB 3.13Å; R792-S796 PolarHBondContact O-N 2.97Å; S796-Y800 WeakPolarHBondContact O-CB 3.45Å; S796-Y800 PolarHBondContact O-N 2.64Å
797	Q	38.3	Very low	38.3	Very low	126 Å²	126	115.5 Å²	115.5	59%	0.589	55%	0.55	S	S	*	.	H	α-helix		0	0	0	-111.2	175.6	10.1	0	0	110.3	Q793 Q794 N801	Q793-Q797 WeakPolarHBondContact O-CB 3.35Å; Q793-Q797 PolarHBondContact O-N 2.83Å; Q794-Q797 PolarHBondContact O-N 3.42Å; Q797-N801 WeakPolarHBondContact O-CB 3.49Å; Q797-N801 PolarHBondContact O-N 3.42Å; Q797-N801 PolarHBondContact O-ND2 3.03Å
798	I	44.9	Very low	38.4	Very low	106 Å²	106	113.9 Å²	113.9	54%	0.544	54%	0.544	S	S	.	.	H	α-helix		0	0	0	-68.6	172.2	0	0	0	108.6	Q794 N801 S802	Q794-I798 WeakPolarHBondContact O-CB 3.38Å; Q794-I798 WeakPolarHBondContact O-CD1 3.17Å; Q794-I798 WeakPolarHBondContact O-CG1 3.36Å; Q794-I798 PolarHBondContact O-N 3.43Å; I798-N801 PolarHBondContact O-N 2.98Å; I798-S802 WeakPolarHBondContact O-CB 3.42Å; I798-S802 PolarHBondContact O-N 3.37Å
799	E	39.2	Very low	38.2	Very low	135 Å²	135	112.4 Å²	112.4	63%	0.631	54%	0.544	S	S	*	.	H	α-helix		0	0	0	-95.8	-178.4	179.6	0	0	111.1	H795 S803	H795-E799 VanDerWaalsContact O-CB 3.23Å; H795-E799 WeakPolarHBondContact O-CB 3.48Å; H795-E799 PolarHBondContact O-N 2.81Å; E799-S803 WeakPolarHBondContact O-CB 3.08Å; E799-S803 PolarHBondContact O-N 3.47Å
800	Y	34.9	Very low	38.2	Very low	151 Å²	151	111.4 Å²	111.4	59%	0.592	54%	0.538	S	S	*	.	H	α-helix		0	-29.2	0	-175.8	-96.7	0	0	0	110.3	S796 L804	S796-Y800 WeakPolarHBondContact O-CB 3.45Å; S796-Y800 PolarHBondContact O-N 2.64Å; Y800-L804 WeakPolarHBondContact O-CB 3.44Å; Y800-L804 PolarHBondContact O-N 3.37Å; Y800-L804 VanDerWaalsContact O-N 3.11Å
801	N	37.2	Very low	38.2	Very low	87 Å²	87	109.8 Å²	109.8	47%	0.465	54%	0.536	S	S	.	.	H	α-helix	trans	-87.4	0	179.2	-75.4	-26.5	0	0	0	110.6	Q797 I798 I805	Q797-N801 WeakPolarHBondContact O-CB 3.49Å; Q797-N801 PolarHBondContact O-N 3.42Å; Q797-N801 PolarHBondContact O-ND2 3.03Å; I798-N801 PolarHBondContact O-N 2.98Å; N801-I805 WeakPolarHBondContact O-CB 3.46Å; N801-I805 WeakPolarHBondContact O-CD1 3.4Å; N801-I805 WeakPolarHBondContact O-CG1 3.15Å; N801-I805 PolarHBondContact O-N 3.19Å; N801-I805 VanDerWaalsContact O-N 3.16Å
802	S	39.9	Very low	37.9	Very low	57 Å²	57	105.9 Å²	105.9	40%	0.399	53%	0.534	S	S	.	.	H	α-helix		0	0	0	-172.4	0	0	0	0	109.9	I798 K806	I798-S802 WeakPolarHBondContact O-CB 3.42Å; I798-S802 PolarHBondContact O-N 3.37Å; S802-K806 VanDerWaalsContact O-CB 3.26Å; S802-K806 WeakPolarHBondContact O-CB 3.33Å; S802-K806 WeakPolarHBondContact O-CG 3.47Å; S802-K806 PolarHBondContact O-N 2.96Å
803	S	37.5	Very low	37.6	Very low	50 Å²	50	99.9 Å²	99.9	35%	0.35	52%	0.521	S	S	.	.	H	α-helix		0	0	0	119.1	0	0	0	0	110.4	E799 Q807	E799-S803 WeakPolarHBondContact O-CB 3.08Å; E799-S803 PolarHBondContact O-N 3.47Å; S803-Q807 WeakPolarHBondContact O-CA 3.44Å; S803-Q807 WeakPolarHBondContact O-CB 3.24Å; S803-Q807 WeakPolarHBondContact O-CG 3.4Å; S803-Q807 PolarHBondContact O-N 3.31Å
804	L	38.2	Very low	37.5	Very low	71 Å²	71	96 Å²	96	37%	0.372	51%	0.509	S	S	.	.	H	α-helix		0	-23	0	-158.6	83.8	0	0	0	110.1	Y800 Q808	Y800-L804 WeakPolarHBondContact O-CB 3.44Å; Y800-L804 PolarHBondContact O-N 3.37Å; Y800-L804 VanDerWaalsContact O-N 3.11Å; L804-Q808 WeakPolarHBondContact O-CB 3.37Å; L804-Q808 PolarHBondContact O-N 3.04Å
805	I	42.9	Very low	37.3	Very low	110 Å²	110	95.4 Å²	95.4	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-89.3	0	178	-71.6	173.2	0	0	0	108.5	N801 Q808 A809	N801-I805 WeakPolarHBondContact O-CB 3.46Å; N801-I805 WeakPolarHBondContact O-CD1 3.4Å; N801-I805 WeakPolarHBondContact O-CG1 3.15Å; N801-I805 PolarHBondContact O-N 3.19Å; N801-I805 VanDerWaalsContact O-N 3.16Å; I805-Q808 PolarHBondContact O-N 3.02Å; I805-A809 VanDerWaalsContact O-CB 3.22Å; I805-A809 WeakPolarHBondContact O-CB 3.44Å; I805-A809 PolarHBondContact O-N 3.05Å
806	K	38.2	Very low	36.7	Very low	139 Å²	139	96.6 Å²	96.6	60%	0.604	52%	0.515	S	S	*	.	H	α-helix		0	0	0	-88.8	-176.6	-176	-179.4	0	110.4	S802 I810	S802-K806 VanDerWaalsContact O-CB 3.26Å; S802-K806 WeakPolarHBondContact O-CB 3.33Å; S802-K806 WeakPolarHBondContact O-CG 3.47Å; S802-K806 PolarHBondContact O-N 2.96Å; K806-I810 WeakPolarHBondContact O-CB 2.98Å; K806-I810 WeakPolarHBondContact O-CD1 3.39Å; K806-I810 WeakPolarHBondContact O-CG1 3.27Å; K806-I810 PolarHBondContact O-N 2.91Å
807	Q	36.3	Very low	36.8	Very low	116 Å²	116	96.4 Å²	96.4	54%	0.542	51%	0.513	S	S	.	.	H	α-helix		0	0	0	-86.5	-170.6	-18.5	0	0	110.7	S803 V811	S803-Q807 WeakPolarHBondContact O-CA 3.44Å; S803-Q807 WeakPolarHBondContact O-CB 3.24Å; S803-Q807 WeakPolarHBondContact O-CG 3.4Å; S803-Q807 PolarHBondContact O-N 3.31Å; Q807-V811 VanDerWaalsContact O-CB 3.3Å; Q807-V811 WeakPolarHBondContact O-CB 2.13Å; Q807-V811 WeakPolarHBondContact O-CG2 3.46Å; Q807-V811 PolarHBondContact O-N 2.78Å; Q807-V811 VanDerWaalsContact O-N 3.08Å
808	Q	37.3	Very low	36.6	Very low	123 Å²	123	93 Å²	93	58%	0.575	50%	0.502	S	S	*	.	H	α-helix		0	0	0	-103.4	172.7	-2	0	0	110.3	L804 I805 S812	L804-Q808 WeakPolarHBondContact O-CB 3.37Å; L804-Q808 PolarHBondContact O-N 3.04Å; I805-Q808 PolarHBondContact O-N 3.02Å; Q808-S812 WeakPolarHBondContact O-CB 3Å; Q808-S812 PolarHBondContact O-N 3.2Å; Q808-S812 PolarHBondContact O-OG 2.83Å
809	A	33.2	Very low	36	Very low	55 Å²	55	93.4 Å²	93.4	46%	0.455	50%	0.504	S	S	.	.	H	α-helix		0	0	0	0	0	0	0	0	109.9	I805 S813	I805-A809 VanDerWaalsContact O-CB 3.22Å; I805-A809 WeakPolarHBondContact O-CB 3.44Å; I805-A809 PolarHBondContact O-N 3.05Å; A809-S813 VanDerWaalsContact O-CB 3.28Å; A809-S813 WeakPolarHBondContact O-CB 3.48Å; A809-S813 PolarHBondContact O-N 3.34Å; A809-S813 VanDerWaalsContact O-N 3.08Å; A809-S813 PolarHBondContact O-OG 3.33Å
810	I	35.9	Very low	35.7	Very low	99 Å²	99	92.3 Å²	92.3	51%	0.508	50%	0.503	S	S	.	.	H	α-helix		0	0	0	-68	173	0	0	0	108.8	K806 S813 S814	K806-I810 WeakPolarHBondContact O-CB 2.98Å; K806-I810 WeakPolarHBondContact O-CD1 3.39Å; K806-I810 WeakPolarHBondContact O-CG1 3.27Å; K806-I810 PolarHBondContact O-N 2.91Å; I810-S813 WeakPolarHBondContact CA-OG 3.42Å; I810-S814 WeakPolarHBondContact O-CB 3.26Å; I810-S814 PolarHBondContact O-N 3.34Å; I810-S814 PolarHBondContact O-OG 3.31Å
811	V	34.3	Very low	35.6	Very low	89 Å²	89	90.7 Å²	90.7	54%	0.539	51%	0.505	S	S	.	.	H	α-helix		0	-14.9	0	173.9	0	0	0	0	109	Q807 I815	Q807-V811 VanDerWaalsContact O-CB 3.3Å; Q807-V811 WeakPolarHBondContact O-CB 2.13Å; Q807-V811 WeakPolarHBondContact O-CG2 3.46Å; Q807-V811 PolarHBondContact O-N 2.78Å; Q807-V811 VanDerWaalsContact O-N 3.08Å; V811-I815 HydrophobicContact CG1-CD1 4.37Å; V811-I815 WeakPolarHBondContact O-CD1 3.4Å; V811-I815 WeakPolarHBondContact O-CG1 3.42Å
812	S	32.5	Very low	35.2	Very low	80 Å²	80	90.1 Å²	90.1	56%	0.559	51%	0.506	S	S	*	.	H	α-helix	trans	-100.4	0	178.1	-40.6	0	0	0	0	109.9	Q808	Q808-S812 WeakPolarHBondContact O-CB 3Å; Q808-S812 PolarHBondContact O-N 3.2Å; Q808-S812 PolarHBondContact O-OG 2.83Å
813	S	33.5	Very low	35	Very low	64 Å²	64	90.8 Å²	90.8	45%	0.448	51%	0.508	S	S	.	.	H	α-helix		0	0	0	62.4	0	0	0	0	109.9	A809 I810	A809-S813 VanDerWaalsContact O-CB 3.28Å; A809-S813 WeakPolarHBondContact O-CB 3.48Å; A809-S813 PolarHBondContact O-N 3.34Å; A809-S813 VanDerWaalsContact O-N 3.08Å; A809-S813 PolarHBondContact O-OG 3.33Å; I810-S813 WeakPolarHBondContact CA-OG 3.42Å
814	S	34.8	Very low	34.7	Very low	55 Å²	55	92.1 Å²	92.1	39%	0.385	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-59.1	0	0	0	0	109.9	I810 P818	I810-S814 WeakPolarHBondContact O-CB 3.26Å; I810-S814 PolarHBondContact O-N 3.34Å; I810-S814 PolarHBondContact O-OG 3.31Å; S814-P818 WeakPolarHBondContact O-CD 3.22Å; S814-P818 WeakPolarHBondContact O-CG 3.48Å
815	I	35.3	Very low	34.4	Very low	105 Å²	105	96.6 Å²	96.6	54%	0.538	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-66.4	173.2	0	0	0	108.5	V811 L819	V811-I815 HydrophobicContact CG1-CD1 4.37Å; V811-I815 WeakPolarHBondContact O-CD1 3.4Å; V811-I815 WeakPolarHBondContact O-CG1 3.42Å; I815-L819 HydrophobicContact CG2-CD1 4.18Å; I815-L819 WeakPolarHBondContact O-CD1 3.16Å
816	Q	32.6	Very low	34	Very low	141 Å²	141	96.6 Å²	96.6	66%	0.659	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-105.4	168.9	-17.7	0	0	109.9
817	S	35.8	Very low	33.8	Very low	66 Å²	66	96.4 Å²	96.4	46%	0.462	54%	0.536	S	S	.	.	H	α-helix		0	0	0	67.7	0	0	0	0	111.2
818	P	33.7	Very low	33.7	Very low	54 Å²	54	94.5 Å²	94.5	35%	0.351	54%	0.535	S	S	.	.	H	α-helix		0	0	0	8.9	2.8	0	0	0	111.8	S814 C822	S814-P818 WeakPolarHBondContact O-CD 3.22Å; S814-P818 WeakPolarHBondContact O-CG 3.48Å; P818-C822 VanDerWaalsContact O-CB 3.29Å; P818-C822 WeakPolarHBondContact O-CB 3.48Å; P818-C822 PolarHBondContact O-N 3.34Å; P818-C822 PolarHBondContact O-SG 3.15Å
819	L	33.6	Very low	33.3	Very low	114 Å²	114	93.4 Å²	93.4	60%	0.597	53%	0.533	S	S	*	.	H	α-helix		0	-10.2	0	-105.2	125.4	0	0	0	109.9	I815 T823	I815-L819 HydrophobicContact CG2-CD1 4.18Å; I815-L819 WeakPolarHBondContact O-CD1 3.16Å; L819-T823 PolarHBondContact O-OG1 2.8Å
820	N	31.4	Very low	33.3	Very low	112 Å²	112	97.5 Å²	97.5	60%	0.599	54%	0.543	S	S	*	.	H	α-helix	trans	-103.8	0	177.4	-85.1	-14	0	0	0	110.5	T823 S824	N820-T823 WeakPolarHBondContact CA-OG1 3.04Å; N820-T823 PolarHBondContact O-OG1 2.77Å; N820-S824 PolarHBondContact O-OG 3.27Å
821	N	33.4	Very low	32.9	Very low	118 Å²	118	103.9 Å²	103.9	63%	0.631	56%	0.562	S	S	*	*	H	α-helix		0	0	0	-88.5	-10.1	0	0	0	110.8	Y825	N821-Y825 VanDerWaalsContact O-CB 3.22Å; N821-Y825 WeakPolarHBondContact O-CB 3.35Å; N821-Y825 PolarHBondContact O-N 2.9Å; N821-Y825 VanDerWaalsContact O-N 3.13Å
822	C	30.1	Very low	32.7	Very low	74 Å²	74	107.9 Å²	107.9	50%	0.5	57%	0.572	S	S	.	*	H	α-helix		0	-20.9	0	-84.8	0	0	0	0	110.3	P818 I826	P818-C822 VanDerWaalsContact O-CB 3.29Å; P818-C822 WeakPolarHBondContact O-CB 3.48Å; P818-C822 PolarHBondContact O-N 3.34Å; P818-C822 PolarHBondContact O-SG 3.15Å; C822-I826 WeakPolarHBondContact O-CB 3.5Å; C822-I826 WeakPolarHBondContact O-CD1 3.2Å; C822-I826 WeakPolarHBondContact O-CG1 3.48Å; C822-I826 PolarHBondContact O-N 3.17Å; C822-I826 VanDerWaalsContact O-N 3.1Å
823	T	34.6	Very low	32.5	Very low	72 Å²	72	110 Å²	110	44%	0.442	58%	0.584	S	S	.	*	H	α-helix	trans	-88.5	0	177.8	22.5	0	0	0	0	109.4	L819 N820 L827	L819-T823 PolarHBondContact O-OG1 2.8Å; N820-T823 WeakPolarHBondContact CA-OG1 3.04Å; N820-T823 PolarHBondContact O-OG1 2.77Å; T823-L827 VanDerWaalsContact O-CB 3.3Å; T823-L827 WeakPolarHBondContact O-CB 3.49Å; T823-L827 WeakPolarHBondContact O-CD1 3.36Å; T823-L827 WeakPolarHBondContact O-CG 3.32Å; T823-L827 PolarHBondContact O-N 2.87Å
824	S	31.9	Very low	32.1	Very low	78 Å²	78	116.1 Å²	116.1	55%	0.545	61%	0.606	S	S	.	*	H	α-helix		0	0	0	-82.2	0	0	0	0	110.5	N820 S828	N820-S824 PolarHBondContact O-OG 3.27Å; S824-S828 VanDerWaalsContact O-CB 3.28Å; S824-S828 WeakPolarHBondContact O-CB 2.62Å; S824-S828 PolarHBondContact O-N 2.91Å; S824-S828 PolarHBondContact O-OG 3.27Å
825	Y	31	Very low	31.9	Very low	164 Å²	164	122.5 Å²	122.5	64%	0.643	63%	0.63	S	S	*	*	H	α-helix		0	0	0	-152.7	-94.9	0	0	0	110.2	N821 L827 S828	N821-Y825 VanDerWaalsContact O-CB 3.22Å; N821-Y825 WeakPolarHBondContact O-CB 3.35Å; N821-Y825 PolarHBondContact O-N 2.9Å; N821-Y825 VanDerWaalsContact O-N 3.13Å; Y825-L827 VanDerWaalsContact C-N 3.34Å; Y825-S828 VanDerWaalsContact CA-OG 3.3Å; Y825-S828 WeakPolarHBondContact CA-OG 3.3Å; Y825-S828 PolarHBondContact O-OG 3.23Å
826	I	34.9	Very low	31.5	Very low	111 Å²	111	125.7 Å²	125.7	57%	0.569	64%	0.642	S	S	*	*	H	α-helix		0	0	0	-69.5	175.8	0	0	0	108.8	C822	C822-I826 WeakPolarHBondContact O-CB 3.5Å; C822-I826 WeakPolarHBondContact O-CD1 3.2Å; C822-I826 WeakPolarHBondContact O-CG1 3.48Å; C822-I826 PolarHBondContact O-N 3.17Å; C822-I826 VanDerWaalsContact O-N 3.1Å
827	L	35	Very low	31.2	Very low	135 Å²	135	124.4 Å²	124.4	71%	0.707	65%	0.646	S	S	*	*	H	α-helix		0	0	0	-78.6	162.5	0	0	0	109.6	T823 Y825	T823-L827 VanDerWaalsContact O-CB 3.3Å; T823-L827 WeakPolarHBondContact O-CB 3.49Å; T823-L827 WeakPolarHBondContact O-CD1 3.36Å; T823-L827 WeakPolarHBondContact O-CG 3.32Å; T823-L827 PolarHBondContact O-N 2.87Å; Y825-L827 VanDerWaalsContact C-N 3.34Å
828	S	33.9	Very low	30.9	Very low	75 Å²	75	129.1 Å²	129.1	52%	0.524	67%	0.665	S	S	.	*	H	α-helix		0	0	0	60.5	0	0	0	0	109.6	S824 Y825	S824-S828 VanDerWaalsContact O-CB 3.28Å; S824-S828 WeakPolarHBondContact O-CB 2.62Å; S824-S828 PolarHBondContact O-N 2.91Å; S824-S828 PolarHBondContact O-OG 3.27Å; Y825-S828 VanDerWaalsContact CA-OG 3.3Å; Y825-S828 WeakPolarHBondContact CA-OG 3.3Å; Y825-S828 PolarHBondContact O-OG 3.23Å
829	N	27.9	Very low	30.6	Very low	101 Å²	101	133.4 Å²	133.4	54%	0.54	68%	0.684	S	S	.	*				0	0	0	-85.9	-27.3	0	0	0	109.6
830	H	34.5	Very low	30.2	Very low	140 Å²	140	134.4 Å²	134.4	65%	0.648	69%	0.689	S	S	*	*				0	0	0	-89.7	-64.6	0	0	0	110.1
831	Y	25.7	Very low	29.8	Very low	234 Å²	234	137.3 Å²	137.3	92%	0.918	70%	0.699	S	S	*	*				0	0	0	-97.9	-86.7	0	0	0	110.5
832	F	30.6	Very low	29.4	Very low	172 Å²	172	136.4 Å²	136.4	75%	0.754	70%	0.702	S	S	*	*				0	0	0	-95.2	-82.3	0	0	0	109.4
833	P	28.7	Very low	29.2	Very low	125 Å²	125	139.7 Å²	139.7	81%	0.812	71%	0.714	S	S	*	*				0	0	0	22.5	1.2	0	0	0	111.8
834	Q	25.7	Very low	28.7	Very low	193 Å²	193	141.7 Å²	141.7	90%	0.902	73%	0.73	S	S	*	*				0	98.6	0	-115.8	178.2	-3.1	0	0	111.7
835	E	29.3	Very low	28.3	Very low	189 Å²	189	147.4 Å²	147.4	88%	0.883	75%	0.745	S	S	*	*			trans	-147.2	0	139.9	-90.9	-171.1	176.1	0	0	109.5
836	Q	27.5	Very low	28.1	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	75%	0.751	S	S	*	*				0	132.8	0	-74.9	-137.7	-13.8	0	0	109.8
837	P	26.8	Very low	27.6	Very low	114 Å²	114	143.7 Å²	143.7	74%	0.74	76%	0.758	S	S	*	*			trans	-94.9	105.4	-169.6	33.7	-4.8	0	0	0	111.7
838	I	28.6	Very low	27.1	Very low	165 Å²	165	143.1 Å²	143.1	85%	0.846	75%	0.754	S	S	*	*			trans	-138.9	106.1	157.1	-63	167.5	0	0	0	108.3
839	N	26.6	Very low	26.7	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	77%	0.769	S	S	*	*				85.5	102.8	105.5	-152.5	-11.8	0	0	0	110.9
840	I	25.8	Very low	26.8	Very low	135 Å²	135	149.2 Å²	149.2	69%	0.692	79%	0.785	S	S	*	*				5.5	108.6	122.9	-59.1	176.7	0	0	0	110.2
841	Q	23.6	Very low	26.5	Very low	173 Å²	173	150.9 Å²	150.9	81%	0.808	80%	0.798	S	S	*	*				132.7	93.5	129.1	-89.1	-176.3	-9.4	0	0	109.5
842	S	24.8	Very low	26.7	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	79%	0.787	S	S	*	*			trans	163.4	0	141.3	61.8	0	0	0	0	109.2
843	L	26.5	Very low	26.6	Very low	143 Å²	143	139.4 Å²	139.4	75%	0.749	79%	0.785	S	S	*	*				0	0	0	-94.1	144.8	0	0	0	109.5
844	S	24.6	Very low	26.6	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	79%	0.788	S	S	*	*	S	Bend		0	92.3	0	71.1	0	0	0	0	111.6
845	K	23.2	Very low	26.5	Very low	198 Å²	198	140.6 Å²	140.6	86%	0.861	78%	0.779	S	S	*	*			trans	108.7	91.7	143.1	-95.6	-178.6	-177.3	179.3	0	110
846	A	26.8	Very low	26.5	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	78%	0.776	S	S	*	*			trans	-171.9	0	147.8	0	0	0	0	0	109.2
847	C	23.1	Very low	26.6	Very low	106 Å²	106	140.4 Å²	140.4	72%	0.716	78%	0.776	S	S	*	*				0	0	0	-110.2	0	0	0	0	110.3
848	I	24.6	Very low	26.4	Very low	123 Å²	123	144.5 Å²	144.5	63%	0.631	78%	0.782	S	S	*	*				0	97.2	0	-63.2	175.2	0	0	0	108.8
849	Q	25.9	Very low	26.2	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	78%	0.778	S	S	*	*				114.8	98.4	123.9	-91.9	179.8	-3.4	0	0	109.7
850	S	30.5	Very low	26.2	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	78%	0.783	S	S	*	*				-178.5	0	116.1	63.2	0	0	0	0	109.2
851	N	27.5	Very low	26.2	Very low	175 Å²	175	145 Å²	145	94%	0.936	78%	0.784	S	S	*	*				0	119.5	0	-88.2	-10.3	0	0	0	112
852	G	30.3	Very low	26.3	Very low	67 Å²	67	148.9 Å²	148.9	69%	0.691	79%	0.791	S	S	*	*				165	0	109.3	0	0	0	0	0	110.2
853	S	28.2	Very low	26.4	Very low	99 Å²	99	153.1 Å²	153.1	69%	0.692	80%	0.799	S	S	*	*				0	105.7	0	-74.1	0	0	0	0	109.8
854	Y	28.6	Very low	26.3	Very low	223 Å²	223	150.6 Å²	150.6	88%	0.875	79%	0.794	S	S	*	*				163.2	88.7	84.3	-94.4	-82.2	0	0	0	108.9
855	T	24.8	Very low	26.3	Very low	119 Å²	119	152.9 Å²	152.9	73%	0.73	80%	0.797	S	S	*	*			trans	-65.7	121.9	151.1	49.6	0	0	0	0	110.6
856	K	28.2	Very low	26.4	Very low	189 Å²	189	148.5 Å²	148.5	82%	0.822	79%	0.791	S	S	*	*				-174.2	103.2	117.7	-102.5	-176.3	-177.7	179	0	109.5
857	E	28.9	Very low	26.3	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	79%	0.79	S	S	*	*				73.1	103.7	82.8	-100.9	-173.4	175.4	0	0	111
858	F	23	Very low	26.4	Very low	201 Å²	201	152.3 Å²	152.3	88%	0.882	79%	0.791	S	S	*	*				-33.2	99	122.3	-95.1	-82.8	0	0	0	111.2
859	L	25.5	Very low	26.5	Very low	145 Å²	145	151 Å²	151	76%	0.759	79%	0.793	S	S	*	*			trans	168.7	112.2	131.5	-85.4	158.6	0	0	0	108.9
860	K	25.9	Very low	26.5	Very low	201 Å²	201	149.3 Å²	149.3	87%	0.874	79%	0.789	S	S	*	*				138.2	131.6	123.3	-101.3	-179.7	-177.3	-178.5	0	109.3
861	P	26.1	Very low	26.4	Very low	108 Å²	108	150.2 Å²	150.2	70%	0.701	78%	0.779	S	S	*	*			trans	-66.6	116.4	-168.2	33.7	-4.2	0	0	0	111.9
862	R	25.3	Very low	26.4	Very low	254 Å²	254	149.2 Å²	149.2	96%	0.958	77%	0.769	S	S	*	*			trans	-169.9	0	157.2	-90.1	-172.6	-175.9	-179.4	-0.4	109.2
863	H	26.4	Very low	26.4	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.875	77%	0.768	S	S	*	*				0	118.1	0	-88.5	-68.5	0	0	0	111.9
864	S	25	Very low	26.4	Very low	90 Å²	90	153.8 Å²	153.8	63%	0.629	77%	0.772	S	S	*	*				117.8	124.6	92.7	58.8	0	0	0	0	109.8
865	D	25.7	Very low	26.4	Very low	160 Å²	160	148.9 Å²	148.9	86%	0.856	76%	0.759	S	S	*	*				-164.5	94.6	128.6	-80.4	-20.8	0	0	0	109.4
866	S	24.4	Very low	26.6	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	76%	0.758	S	S	*	*	S	Bend		-104.3	105.2	126.6	64.2	0	0	0	0	110.3
867	L	25.4	Very low	26.7	Very low	138 Å²	138	147.5 Å²	147.5	72%	0.723	75%	0.75	S	S	*	*				100.4	98.1	116.8	-92.6	157.9	0	0	0	110
868	N	25.3	Very low	26.6	Very low	138 Å²	138	147.1 Å²	147.1	74%	0.738	75%	0.749	S	S	*	*				111.2	102.4	121	-84.2	-16.5	0	0	0	110.3
869	S	25.5	Very low	27.1	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	74%	0.74	S	S	*	*				100.3	98.7	112	94.1	0	0	0	0	110.1
870	L	26.7	Very low	27.3	Very low	144 Å²	144	143.7 Å²	143.7	75%	0.754	74%	0.739	S	S	*	*				123.3	99.2	114.2	-101.3	134.4	0	0	0	109.5
871	H	28.4	Very low	27.7	Very low	142 Å²	142	139.9 Å²	139.9	66%	0.657	73%	0.729	S	S	*	*				100	103.4	104.9	-107.9	-76.2	0	0	0	110.1
872	Q	27.8	Very low	28.1	Very low	154 Å²	154	141 Å²	141	72%	0.72	73%	0.728	S	S	*	*				113.2	106.6	106	-145.1	134.2	12	0	0	109.8
873	S	29.4	Very low	28.6	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	72%	0.717	S	S	*	*				127.6	106.4	101.6	58.3	0	0	0	0	109.8
874	Q	28.5	Very low	29	Very low	167 Å²	167	130.5 Å²	130.5	78%	0.78	71%	0.705	S	S	*	*				84.1	113.2	90	-102.7	179.6	4.1	0	0	110.4
875	I	29.1	Very low	29.4	Very low	120 Å²	120	132.8 Å²	132.8	62%	0.615	71%	0.71	S	S	*	*				139.5	109.6	107	-67.9	174.4	0	0	0	108.2
876	E	27.5	Very low	29.8	Very low	150 Å²	150	132 Å²	132	70%	0.701	71%	0.705	S	S	*	*				98.3	118.3	86.2	-93.5	178.6	-179.1	0	0	110.1
877	I	30.4	Very low	30.1	Very low	129 Å²	129	131.2 Å²	131.2	66%	0.662	70%	0.699	S	S	*	*				145.7	0	102.1	-65	174.5	0	0	0	108.2
878	E	28.2	Very low	30.6	Very low	161 Å²	161	131 Å²	131	75%	0.752	70%	0.698	S	S	*	*				0	122.9	0	-93.6	-177.2	177.6	0	0	110.1
879	V	32.4	Very low	31	Very low	116 Å²	116	130.4 Å²	130.4	70%	0.703	70%	0.695	S	S	*	*				151.9	0	102.2	177.1	0	0	0	0	108.1
880	E	31	Very low	31.5	Very low	158 Å²	158	131.7 Å²	131.7	74%	0.738	69%	0.694	S	S	*	*				0	127.1	0	-97.1	-176.7	177.4	0	0	110.3
881	N	34.5	Very low	31.8	Very low	121 Å²	121	131.5 Å²	131.5	65%	0.647	69%	0.694	S	S	*	*				140.8	0	101.8	-96.7	-5.8	0	0	0	109.9
882	N	34.3	Very low	32	Very low	130 Å²	130	130 Å²	130	70%	0.695	70%	0.7	S	S	*	*				0	0	0	-82.5	-14.9	0	0	0	110.6
883	N	35.9	Very low	32.2	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	70%	0.7	S	S	*	*				0	0	0	-88.3	-11.2	0	0	0	109.8
884	S	33.9	Very low	32.4	Very low	89 Å²	89	130.2 Å²	130.2	62%	0.622	71%	0.706	S	S	*	*				0	0	0	57.6	0	0	0	0	110.1
885	N	33.4	Very low	32.6	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	71%	0.708	S	S	*	*				0	0	0	-85.9	-14.4	0	0	0	110.1
886	I	34.5	Very low	32.6	Very low	144 Å²	144	133.5 Å²	133.5	74%	0.738	72%	0.72	S	S	*	*				0	0	0	-69.1	173.6	0	0	0	108.1
887	S	31.2	Very low	32.8	Very low	89 Å²	89	129.4 Å²	129.4	62%	0.622	72%	0.718	S	S	*	*				0	0	0	66	0	0	0	0	110.5
888	D	34.8	Very low	33	Very low	133 Å²	133	132.4 Å²	132.4	71%	0.711	73%	0.729	S	S	*	*				0	0	0	-83.6	-18.2	0	0	0	109.2
889	N	34.7	Very low	33.2	Very low	127 Å²	127	129.8 Å²	129.8	68%	0.679	73%	0.729	S	S	*	*				0	0	0	-93.6	-7.3	0	0	0	110.3
890	N	34.6	Very low	33.1	Very low	123 Å²	123	130.3 Å²	130.3	66%	0.658	73%	0.732	S	S	*	*				0	0	0	-84.3	-15.8	0	0	0	110.1
891	N	34.6	Very low	33.1	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	73%	0.727	S	S	*	*				0	0	0	-87.8	-10.3	0	0	0	110
892	S	32.2	Very low	32.9	Very low	110 Å²	110	125.8 Å²	125.8	77%	0.769	73%	0.727	S	S	*	*				0	0	0	78.6	0	0	0	0	109.9
893	C	32.2	Very low	32.7	Very low	107 Å²	107	129.7 Å²	129.7	72%	0.723	73%	0.733	S	S	*	*				0	0	0	-136.6	0	0	0	0	109.1
894	N	32	Very low	32.3	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	73%	0.733	S	S	*	*				0	0	0	-79.6	-12.3	0	0	0	110.7
895	K	33	Very low	32	Very low	189 Å²	189	129.2 Å²	129.2	82%	0.822	74%	0.736	S	S	*	*				0	0	0	-122.7	172.8	-175.6	-176.1	0	109.4
896	L	29.2	Very low	31.7	Very low	167 Å²	167	131.4 Å²	131.4	87%	0.874	74%	0.744	S	S	*	*				0	0	0	-106.8	122.9	0	0	0	110.1
897	G	32	Very low	31.2	Very low	64 Å²	64	132 Å²	132	66%	0.66	75%	0.749	S	S	*	*				0	112.4	0	0	0	0	0	0	110.2
898	Q	34.4	Very low	31.2	Very low	192 Å²	192	133.8 Å²	133.8	90%	0.897	76%	0.755	S	S	*	*				97.6	0	99.9	-90.6	-177.8	13.9	0	0	110
899	S	32.1	Very low	30.7	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	76%	0.755	S	S	*	*				0	0	0	65.3	0	0	0	0	109.6
900	V	31.9	Very low	30.5	Very low	127 Å²	127	134.3 Å²	134.3	77%	0.77	76%	0.761	S	S	*	*				0	0	0	-175.3	0	0	0	0	108.5
901	S	29.2	Very low	30.1	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	76%	0.762	S	S	*	*				0	124.9	0	61	0	0	0	0	110.4
902	S	31.3	Very low	29.9	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	76%	0.763	S	S	*	*				134.3	122.2	91.9	22.2	0	0	0	0	109.8
903	Y	30	Very low	29.7	Very low	211 Å²	211	136 Å²	136	83%	0.827	76%	0.76	S	S	*	*				118.7	0	78.8	-94.8	-84.6	0	0	0	109.6
904	T	27.9	Very low	29.8	Very low	115 Å²	115	138.8 Å²	138.8	71%	0.706	76%	0.762	S	S	*	*				0	0	0	40.3	0	0	0	0	110.8
905	S	26.2	Very low	29.7	Very low	99 Å²	99	137.6 Å²	137.6	69%	0.692	76%	0.756	S	S	*	*				0	132.3	0	75	0	0	0	0	110.4
906	M	28.4	Very low	29.6	Very low	184 Å²	184	134.8 Å²	134.8	91%	0.906	75%	0.75	S	S	*	*				100.1	126.6	92.7	-78.7	-140.3	174.9	0	0	110.1
907	N	24	Very low	29.8	Very low	158 Å²	158	137.2 Å²	137.2	85%	0.845	75%	0.749	S	S	*	*				13.4	0	118.9	-109.9	-12.5	0	0	0	112.2
908	V	29.9	Very low	29.7	Very low	125 Å²	125	144.3 Å²	144.3	76%	0.758	76%	0.756	S	S	*	*				0	117.5	0	179.2	0	0	0	0	107.9
909	S	25	Very low	29.5	Very low	101 Å²	101	141 Å²	141	71%	0.706	75%	0.745	S	S	*	*				6.9	126.6	127.6	43.7	0	0	0	0	111.8
910	H	31.3	Very low	29.5	Very low	171 Å²	171	144.2 Å²	144.2	79%	0.792	75%	0.748	S	S	*	*			trans	178	0	136.4	-110.7	-82.4	0	0	0	109.2
911	L	24.9	Very low	29.5	Very low	132 Å²	132	143.3 Å²	143.3	69%	0.691	75%	0.747	S	S	*	*				0	0	0	-90.2	149.7	0	0	0	110.9
912	F	31.4	Very low	29.5	Very low	178 Å²	178	145.3 Å²	145.3	78%	0.781	76%	0.756	S	S	*	*				0	0	0	-88.2	-78.2	0	0	0	109
913	S	28.4	Very low	29.5	Very low	99 Å²	99	151.9 Å²	151.9	69%	0.692	77%	0.768	S	S	*	*				0	0	0	-80.9	0	0	0	0	110.2
914	E	32.5	Very low	29.5	Very low	166 Å²	166	149.7 Å²	149.7	78%	0.776	77%	0.765	S	S	*	*				0	0	0	-94.1	-170.8	171.5	0	0	109.8
915	D	31.3	Very low	29.7	Very low	122 Å²	122	151.2 Å²	151.2	65%	0.652	76%	0.764	S	S	*	*				0	0	0	-77.4	-23.3	0	0	0	110
916	D	30	Very low	29.9	Very low	130 Å²	130	154.7 Å²	154.7	70%	0.695	77%	0.767	S	S	*	*				0	0	0	-88.2	-16.6	0	0	0	109.7
917	Y	33.2	Very low	30	Very low	217 Å²	217	152.8 Å²	152.8	85%	0.851	76%	0.76	S	S	*	*				0	0	0	-102.7	-86.9	0	0	0	109.2
918	R	30	Very low	30.3	Very low	213 Å²	213	151.5 Å²	151.5	80%	0.804	76%	0.758	S	S	*	*				0	0	0	-111	-175.4	167	152.7	-1.5	111
919	N	31.7	Very low	30.2	Very low	124 Å²	124	151.1 Å²	151.1	66%	0.663	76%	0.761	S	S	*	*				0	0	0	-93	-1	0	0	0	109.9
920	E	30.7	Very low	30.4	Very low	172 Å²	172	151 Å²	151	80%	0.804	77%	0.767	S	S	*	*				0	0	0	-100.9	-171.8	174.7	0	0	109.7
921	S	32.9	Very low	30.4	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	77%	0.766	S	S	*	*				0	0	0	57.2	0	0	0	0	109.5
922	T	29.2	Very low	30.6	Very low	133 Å²	133	149.7 Å²	149.7	82%	0.816	76%	0.764	S	S	*	*				0	0	0	1.3	0	0	0	0	110.7
923	Y	31.6	Very low	30.4	Very low	232 Å²	232	149.8 Å²	149.8	91%	0.91	76%	0.76	S	S	*	*				0	0	0	-108.6	-87	0	0	0	109.2
924	E	29.8	Very low	30.3	Very low	164 Å²	164	152.3 Å²	152.3	77%	0.766	77%	0.765	S	S	*	*				0	114.5	0	-100.5	-174	174.8	0	0	111
925	Q	31.4	Very low	29.9	Very low	148 Å²	148	153 Å²	153	69%	0.692	77%	0.768	S	S	*	*				146.1	0	103.4	-127.9	174.3	-11.1	0	0	109.5
926	K	30.1	Very low	29.8	Very low	171 Å²	171	155.8 Å²	155.8	74%	0.743	78%	0.777	S	S	*	*				0	96	0	-102.2	-179.1	-178.5	178.3	0	109.7
927	D	31	Very low	29.6	Very low	144 Å²	144	156.9 Å²	156.9	77%	0.77	78%	0.783	S	S	*	*	S	Bend		163	0	119.3	-89.6	-16.7	0	0	0	109.1
928	T	29.7	Very low	29.4	Very low	131 Å²	131	151 Å²	151	80%	0.804	77%	0.769	S	S	*	*				0	0	0	31.3	0	0	0	0	109.4
929	S	29	Very low	29.3	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	77%	0.767	S	S	*	*				0	0	0	54.9	0	0	0	0	110.4
930	A	29	Very low	29.2	Very low	100 Å²	100	151.5 Å²	151.5	83%	0.826	78%	0.777	S	S	*	*				0	103.3	0	0	0	0	0	0	110.1
931	N	29.8	Very low	29.1	Very low	146 Å²	146	146 Å²	146	78%	0.781	77%	0.766	S	S	*	*				22.4	116.4	95.2	-90.3	-21.8	0	0	0	112
932	M	29.2	Very low	28.8	Very low	129 Å²	129	148.9 Å²	148.9	64%	0.635	77%	0.771	S	S	*	*				87.1	0	96.9	-95.1	-173.1	77.9	0	0	110.3
933	Y	27.2	Very low	28.7	Very low	180 Å²	180	148.9 Å²	148.9	71%	0.706	77%	0.765	S	S	*	*				0	114.3	0	-95.4	-84.2	0	0	0	109.4
934	L	26.5	Very low	28.7	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	76%	0.763	S	S	*	*				99.3	101.9	106.2	-84.6	161.2	0	0	0	110
935	Q	24.4	Very low	28.5	Very low	180 Å²	180	143 Å²	143	84%	0.841	75%	0.746	S	S	*	*				136.6	0	129.5	-131.9	161.5	-9.3	0	0	109.6
936	H	29.8	Very low	28.3	Very low	182 Å²	182	143.8 Å²	143.8	84%	0.843	76%	0.755	S	S	*	*				0	0	0	-130.1	-86.9	0	0	0	109.5
937	N	26	Very low	28.4	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	74%	0.736	S	S	*	*				0	103.2	0	-84.3	-14	0	0	0	112
938	V	27.7	Very low	28.3	Very low	92 Å²	92	135.5 Å²	135.5	56%	0.558	72%	0.721	S	S	*	*			trans	133.9	0	137.2	177.7	0	0	0	0	108.2
939	E	28.5	Very low	28.3	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	72%	0.724	S	S	*	*				0	0	0	-93.8	-178.7	178	0	0	109.9
940	Q	29.5	Very low	28.5	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	72%	0.723	S	S	*	*				0	110.9	0	-71	-134.3	-14.6	0	0	110.4
941	G	28.3	Very low	28.6	Very low	57 Å²	57	142.7 Å²	142.7	59%	0.588	72%	0.721	S	S	*	*				118.9	89	106.7	0	0	0	0	0	110.7
942	I	28.3	Very low	28.6	Very low	167 Å²	167	144.4 Å²	144.4	86%	0.856	72%	0.724	S	S	*	*				-114.4	81.6	127.1	-60.5	177.8	0	0	0	108.4	Y944	I942-Y944 HydrophobicContact CG2-CD2 4.19Å; I942-Y944 HydrophobicContact CG2-CE2 4.4Å
943	I	26.8	Very low	28.7	Very low	133 Å²	133	143.7 Å²	143.7	68%	0.682	73%	0.732	S	S	*	*				-10.1	0	126.2	-58.6	177.9	0	0	0	110.2
944	Y	30.6	Very low	28.8	Very low	224 Å²	224	140.4 Å²	140.4	88%	0.878	74%	0.735	S	S	*	*				0	100.2	0	-87.2	-82.8	0	0	0	109.3	I942	I942-Y944 HydrophobicContact CG2-CD2 4.19Å; I942-Y944 HydrophobicContact CG2-CE2 4.4Å
945	A	27	Very low	29	Very low	49 Å²	49	138 Å²	138	41%	0.405	73%	0.731	S	S	.	*				104.4	77	100.2	0	0	0	0	0	109.6
946	N	26.7	Very low	29.3	Very low	165 Å²	165	135.3 Å²	135.3	88%	0.882	73%	0.727	S	S	*	*			trans	-81.5	0	144.5	-91.4	-16.8	0	0	0	111.4
947	P	31.9	Very low	29.3	Very low	52 Å²	52	137.2 Å²	137.2	34%	0.338	73%	0.728	S	S	.	*				0	112.8	0	31.3	-5.2	0	0	0	112	K14	K14-P947 HydrophobicContact CD-CG 3.6Å; K14-P947 HydrophobicContact CG-CG 4.09Å
948	I	29	Very low	29.4	Very low	89 Å²	89	134.5 Å²	134.5	46%	0.456	72%	0.721	S	S	.	*				120.2	83.1	98.7	-64.8	175.5	0	0	0	108.2	R17 D950	R17-I948 VanDerWaalsContact NH1-CG1 3.34Å; I948-D950 HydrophobicContact CG2-CB 4.35Å
949	I	30.4	Very low	29.5	Very low	169 Å²	169	134.4 Å²	134.4	87%	0.867	73%	0.725	S	S	*	*			trans	-99.6	0	142.1	-64.1	173.4	0	0	0	108.8
950	D	31.4	Very low	29.7	Very low	149 Å²	149	136.6 Å²	136.6	80%	0.797	73%	0.728	S	S	*	*				0	99.1	0	-89.8	-15	0	0	0	110	I948	I948-D950 HydrophobicContact CG2-CB 4.35Å
951	K	31.8	Very low	29.8	Very low	181 Å²	181	132.7 Å²	132.7	79%	0.787	72%	0.72	S	S	*	*			trans	-64.8	104.7	135.1	-89.5	-171.1	-179.5	179.8	0	111.1
952	E	29.6	Very low	29.9	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	73%	0.73	S	S	*	*				116.4	101	115.8	-80.2	-171.2	174.6	0	0	109.8
953	S	32.1	Very low	30.2	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	72%	0.724	S	S	*	*			trans	-135.8	0	143.2	49.2	0	0	0	0	109.6
954	S	28.7	Very low	30.7	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	72%	0.72	S	S	*	*				0	105.1	0	65.5	0	0	0	0	111.8
955	S	29.8	Very low	30.8	Very low	100 Å²	100	126.4 Å²	126.4	70%	0.699	71%	0.712	S	S	*	*				144.8	105.6	127.2	59.7	0	0	0	0	109.4
956	T	31.2	Very low	31	Very low	124 Å²	124	130.5 Å²	130.5	76%	0.761	73%	0.726	S	S	*	*				142.2	0	121	15.5	0	0	0	0	109.1
957	Y	29.7	Very low	31.4	Very low	222 Å²	222	129.3 Å²	129.3	87%	0.871	72%	0.718	S	S	*	*				0	114.9	0	-110.3	-90.3	0	0	0	110.3
958	S	29	Very low	31.3	Very low	96 Å²	96	131.2 Å²	131.2	67%	0.671	73%	0.733	S	S	*	*				120.4	116.3	100	69	0	0	0	0	109.8
959	S	30.3	Very low	31.7	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	74%	0.742	S	S	*	*				136.3	107.7	101.7	38.3	0	0	0	0	109.4
960	Y	32.4	Very low	31.9	Very low	211 Å²	211	130.6 Å²	130.6	83%	0.827	73%	0.733	S	S	*	*				165.4	0	111.7	-94.2	-84	0	0	0	109
961	S	30.9	Very low	32	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	73%	0.725	S	S	*	*				0	0	0	59.7	0	0	0	0	110
962	S	30.7	Very low	32.1	Very low	113 Å²	113	125 Å²	125	79%	0.79	72%	0.715	S	S	*	*				0	0	0	-51.3	0	0	0	0	111.4
963	P	35.4	Very low	32.2	Very low	114 Å²	114	124 Å²	124	74%	0.74	71%	0.71	S	S	*	*				0	175	0	33.7	-4.3	0	0	0	112.2
964	P	36.2	Very low	32.3	Very low	91 Å²	91	125.7 Å²	125.7	59%	0.591	71%	0.709	S	S	*	*			cis	177.7	0	15.1	34.3	-5.7	0	0	0	112.1
965	N	32	Very low	32.5	Very low	132 Å²	132	123.2 Å²	123.2	71%	0.706	70%	0.701	S	S	*	*				0	115	0	-84.9	-22.9	0	0	0	110.2
966	L	32.9	Very low	32.8	Very low	134 Å²	134	126.9 Å²	126.9	70%	0.702	71%	0.712	S	S	*	*				131.3	108.3	100	-91.7	150.8	0	0	0	109.5
967	I	33.2	Very low	32.6	Very low	141 Å²	141	129 Å²	129	72%	0.723	71%	0.713	S	S	*	*				119.1	104.4	102.4	-65.5	169.6	0	0	0	108.3
968	S	30.4	Very low	33.1	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	70%	0.697	S	S	*	*			trans	-9.6	164.4	133.4	142.5	0	0	0	0	111.9
969	P	38.6	Very low	33.4	Very low	100 Å²	100	124.6 Å²	124.6	65%	0.649	70%	0.702	S	S	*	*				-166.4	138.5	78.6	34	-5.2	0	0	0	112.8
970	H	34.5	Very low	33.6	Very low	145 Å²	145	125.1 Å²	125.1	67%	0.671	71%	0.706	S	S	*	*				94.4	113.2	99.5	-106.8	-58.3	0	0	0	110.2
971	N	32.3	Very low	33.5	Very low	119 Å²	119	121.2 Å²	121.2	64%	0.636	70%	0.703	S	S	*	*				114.9	112.5	103.4	-81	-11.8	0	0	0	110.1
972	T	34.3	Very low	33.5	Very low	94 Å²	94	123.4 Å²	123.4	58%	0.577	71%	0.706	S	S	*	*				119.2	109.6	99.5	-14.1	0	0	0	0	109.4
973	E	32	Very low	33.4	Very low	160 Å²	160	122.5 Å²	122.5	75%	0.748	70%	0.699	S	S	*	*				97	110.3	94.4	-104.5	-178.4	179.7	0	0	110.1
974	I	34.6	Very low	33.3	Very low	149 Å²	149	125.6 Å²	125.6	76%	0.764	70%	0.704	S	S	*	*				143.8	111.5	109.1	-62.6	173.3	0	0	0	108.2
975	G	33	Very low	33.1	Very low	60 Å²	60	128.8 Å²	128.8	62%	0.619	71%	0.71	S	S	*	*				107.1	101.8	89.8	0	0	0	0	0	110.8
976	L	34.8	Very low	32.9	Very low	177 Å²	177	129.9 Å²	129.9	93%	0.927	71%	0.711	S	S	*	*				137.3	0	107	-77.8	165.2	0	0	0	109.2
977	E	27.9	Very low	32.6	Very low	168 Å²	168	130.8 Å²	130.8	79%	0.785	71%	0.712	S	S	*	*				0	0	0	-87.4	-85.9	157	0	0	112
978	P	40.9	Very low	32.2	Very low	83 Å²	83	134.9 Å²	134.9	54%	0.539	72%	0.718	S	S	.	*				0	143.7	0	33.5	-4.5	0	0	0	112.1
979	D	34.1	Very low	32.1	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	73%	0.729	S	S	*	*				155.2	115	128.2	-83.7	-17.4	0	0	0	109.3
980	S	33.8	Very low	31.5	Very low	103 Å²	103	140.9 Å²	140.9	72%	0.72	73%	0.731	S	S	*	*				115.9	112.6	98.8	65.3	0	0	0	0	110
981	V	30.4	Very low	31.1	Very low	129 Å²	129	142.1 Å²	142.1	78%	0.782	74%	0.737	S	S	*	*				76.8	111.9	98	-176.3	0	0	0	0	109.1
982	I	32.1	Very low	30.9	Very low	147 Å²	147	140.7 Å²	140.7	75%	0.754	74%	0.736	S	S	*	*				156.7	0	121.8	-68.1	172.9	0	0	0	107.9
983	S	27.2	Very low	30.6	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	74%	0.744	S	S	*	*				0	117.4	0	63.8	0	0	0	0	110.8
984	Q	33.3	Very low	30.5	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	75%	0.75	S	S	*	*				138.6	0	122	-89.9	-174.6	-4	0	0	109.4
985	H	32.2	Very low	30.1	Very low	157 Å²	157	140.6 Å²	140.6	73%	0.727	75%	0.749	S	S	*	*				0	113.1	0	-114.6	-38.4	0	0	0	110.1
986	Q	28	Very low	29.9	Very low	155 Å²	155	143.9 Å²	143.9	72%	0.724	76%	0.757	S	S	*	*				83	118.7	117.3	-114.5	173.5	15.6	0	0	110.2
987	Q	27.2	Very low	29.5	Very low	153 Å²	153	145 Å²	145	72%	0.715	75%	0.749	S	S	*	*				84.1	119.7	118.1	-115.8	160.4	2.5	0	0	110.3
988	R	25.5	Very low	29.7	Very low	228 Å²	228	143.7 Å²	143.7	86%	0.86	75%	0.746	S	S	*	*				117.2	123.6	122	-97.1	-165.7	-120.7	-146.6	-0.3	109.4
989	Q	27.1	Very low	29.1	Very low	182 Å²	182	146.4 Å²	146.4	85%	0.85	76%	0.756	S	S	*	*				24.4	127.9	127	-92.4	-166.3	-8.9	0	0	111.4
990	I	26.8	Very low	29	Very low	135 Å²	135	145 Å²	145	69%	0.692	76%	0.757	S	S	*	*				150.5	134.8	123.3	-63.9	175.4	0	0	0	107.8
991	Q	26.2	Very low	28.7	Very low	170 Å²	170	147.5 Å²	147.5	79%	0.794	76%	0.758	S	S	*	*				119.2	128.5	104.5	-96.5	-172.8	-4.3	0	0	110
992	S	27.8	Very low	28.6	Very low	89 Å²	89	149.7 Å²	149.7	62%	0.622	76%	0.757	S	S	*	*				100.1	0	100.6	34.8	0	0	0	0	110.2
993	S	28.4	Very low	28.5	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	76%	0.757	S	S	*	*				0	131	0	-69.7	0	0	0	0	110.1
994	T	29.6	Very low	28.7	Very low	140 Å²	140	151.2 Å²	151.2	86%	0.859	76%	0.764	S	S	*	*				-176.5	0	120.8	-44.9	0	0	0	0	108.8
995	M	25	Very low	28.7	Very low	154 Å²	154	148.3 Å²	148.3	76%	0.759	76%	0.76	S	S	*	*				0	0	0	-121.5	-153.2	-111	0	0	111.1
996	V	29.9	Very low	28.5	Very low	129 Å²	129	148.1 Å²	148.1	78%	0.782	76%	0.764	S	S	*	*				0	0	0	176.1	0	0	0	0	108
997	R	27.2	Very low	28.4	Very low	199 Å²	199	147.6 Å²	147.6	75%	0.751	77%	0.767	S	S	*	*				0	124.1	0	-113.5	-170.8	-149.5	150.7	-0.2	110.5
998	I	31.7	Very low	28.3	Very low	142 Å²	142	147 Å²	147	73%	0.728	77%	0.769	S	S	*	*				139.8	0	96.7	-62.4	175.7	0	0	0	108.2
999	N	27.6	Very low	28.3	Very low	139 Å²	139	141.3 Å²	141.3	74%	0.743	76%	0.763	S	S	*	*				0	131.9	0	-87	-7.1	0	0	0	111.3
1000	S	31.4	Very low	28.2	Very low	113 Å²	113	137 Å²	137	79%	0.79	75%	0.753	S	S	*	*				164.6	115.9	107.1	27.9	0	0	0	0	109.3
1001	Q	27.8	Very low	28.2	Very low	156 Å²	156	137.7 Å²	137.7	73%	0.729	76%	0.759	S	S	*	*				65	0	85.3	-86.1	-178.1	1.6	0	0	110.7
1002	F	29.7	Very low	28.1	Very low	174 Å²	174	134.6 Å²	134.6	76%	0.763	76%	0.756	S	S	*	*				0	0	0	-102	-84.8	0	0	0	109.1
1003	V	28.6	Very low	28.1	Very low	126 Å²	126	135 Å²	135	76%	0.764	76%	0.758	S	S	*	*				0	114.6	0	178.7	0	0	0	0	109
1004	D	31.2	Very low	28.2	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	76%	0.763	S	S	*	*			trans	-28.2	0	141	-89	-23.2	0	0	0	111.7
1005	P	34	Very low	28	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	76%	0.756	S	S	*	*				0	0	0	33.7	-5.4	0	0	0	111.9
1006	N	27	Very low	28.3	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	76%	0.759	S	S	*	*				0	0	0	-86.1	-10.8	0	0	0	111.2
1007	N	27.5	Very low	28.4	Very low	144 Å²	144	136.2 Å²	136.2	77%	0.77	75%	0.752	S	S	*	*				0	107	0	-107.9	-3.4	0	0	0	110.1
1008	N	25	Very low	28.6	Very low	142 Å²	142	135.7 Å²	135.7	76%	0.759	76%	0.756	S	S	*	*				59.8	110.9	114.6	-85.1	-9.5	0	0	0	111.3
1009	S	25.6	Very low	28.6	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	75%	0.751	S	S	*	*				112.8	112	123.3	64	0	0	0	0	109.9
1010	S	25	Very low	28.8	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	75%	0.749	S	S	*	*				78.8	113.1	118.3	56.1	0	0	0	0	110.7
1011	N	25.5	Very low	28.9	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	74%	0.743	S	S	*	*				107	109	122	-88.6	-8	0	0	0	110.5
1012	S	25	Very low	28.9	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	75%	0.748	S	S	*	*				78.3	120.2	112.6	85.2	0	0	0	0	110.6
1013	S	28	Very low	28.8	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	75%	0.751	S	S	*	*				121.4	116	114.2	57.7	0	0	0	0	109.6
1014	K	29.6	Very low	29	Very low	197 Å²	197	132 Å²	132	86%	0.857	75%	0.751	S	S	*	*				113	0	108.9	-101.2	179.4	-177.9	176.9	0	110.1
1015	C	25.7	Very low	28.7	Very low	105 Å²	105	131.4 Å²	131.4	71%	0.709	75%	0.752	S	S	*	*				0	0	0	-131.7	0	0	0	0	109.8
1016	S	32.5	Very low	28.6	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	76%	0.756	S	S	*	*				0	0	0	34.8	0	0	0	0	109.4
1017	Q	30.8	Very low	28.5	Very low	139 Å²	139	130.7 Å²	130.7	65%	0.65	75%	0.751	S	S	*	*				0	0	0	-84.3	-173.9	-7.3	0	0	111.2
1018	F	31.1	Very low	28.6	Very low	187 Å²	187	136 Å²	136	82%	0.82	76%	0.761	S	S	*	*				0	0	0	-96	-82.2	0	0	0	109.1
1019	Y	32	Very low	28.6	Very low	163 Å²	163	134.3 Å²	134.3	64%	0.639	76%	0.756	S	S	*	*				0	0	0	-98.1	-83.7	0	0	0	110.1
1020	D	32.2	Very low	28.6	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	75%	0.753	S	S	*	*				0	0	0	-99.1	-14.2	0	0	0	109.7
1021	S	32.7	Very low	28.6	Very low	95 Å²	95	138.4 Å²	138.4	66%	0.664	76%	0.761	S	S	*	*				0	0	0	48.7	0	0	0	0	110
1022	N	28.5	Very low	29.1	Very low	159 Å²	159	136.5 Å²	136.5	85%	0.85	76%	0.756	S	S	*	*				0	0	0	-86.2	-6.4	0	0	0	110.4
1023	C	28.1	Very low	29.1	Very low	120 Å²	120	136.3 Å²	136.3	81%	0.811	76%	0.755	S	S	*	*				0	0	0	-136.4	0	0	0	0	109.3
1024	S	31.8	Very low	29.3	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	76%	0.758	S	S	*	*				0	112.3	0	52.5	0	0	0	0	109.6
1025	T	26.1	Very low	29.2	Very low	134 Å²	134	135.2 Å²	135.2	82%	0.822	75%	0.75	S	S	*	*				-21.2	130.5	121.1	33	0	0	0	0	111.4
1026	S	31.7	Very low	29.3	Very low	120 Å²	120	137 Å²	137	84%	0.839	75%	0.753	S	S	*	*				-150.5	113.6	126.2	58	0	0	0	0	109.5
1027	N	25.3	Very low	29.1	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	75%	0.752	S	S	*	*				-8.4	127.3	115.5	-88.4	-10.7	0	0	0	112.3
1028	W	28.7	Very low	29	Very low	256 Å²	256	141.4 Å²	141.4	97%	0.97	76%	0.757	S	S	*	*				-160.5	0	127.8	-78.5	84.5	0	0	0	108.9
1029	T	25.1	Very low	29	Very low	107 Å²	107	141.6 Å²	141.6	66%	0.656	76%	0.761	S	S	*	*				0	136.1	0	13.1	0	0	0	0	111.6
1030	I	26.4	Very low	28.7	Very low	134 Å²	134	139.8 Å²	139.8	69%	0.687	77%	0.767	S	S	*	*				103.5	130.6	89.9	-61.8	175.1	0	0	0	108.5
1031	N	25.1	Very low	28.7	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	78%	0.775	S	S	*	*				151.2	0	106.1	-100.6	-13.9	0	0	0	110
1032	P	34.5	Very low	28.3	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	78%	0.78	S	S	*	*				0	141.1	0	33.2	-4	0	0	0	111.9
1033	S	26.6	Very low	28.4	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	79%	0.785	S	S	*	*			trans	166.5	0	145.5	54.5	0	0	0	0	109.3
1034	H	31.3	Very low	28.4	Very low	157 Å²	157	149.4 Å²	149.4	73%	0.727	78%	0.78	S	S	*	*				0	0	0	-91	-81.7	0	0	0	109.5
1035	T	27.9	Very low	28.3	Very low	112 Å²	112	150 Å²	150	69%	0.687	79%	0.785	S	S	*	*				0	126.7	0	43.6	0	0	0	0	109.7
1036	N	26.7	Very low	28.3	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	78%	0.783	S	S	*	*				87.5	132.6	95.4	-111.3	-10.2	0	0	0	110.4
1037	Y	29.1	Very low	28.3	Very low	207 Å²	207	154.5 Å²	154.5	81%	0.812	79%	0.788	S	S	*	*				151.3	0	117.9	-111.3	-87.9	0	0	0	109.1
1038	N	27.3	Very low	28.5	Very low	141 Å²	141	154 Å²	154	75%	0.754	79%	0.794	S	S	*	*				0	133.4	0	-86.2	-14.3	0	0	0	111.7
1039	Q	31.5	Very low	28.4	Very low	192 Å²	192	150 Å²	150	90%	0.897	79%	0.79	S	S	*	*				171.8	120.3	121	-108.9	175.9	5.9	0	0	109.3
1040	V	26.8	Very low	28.6	Very low	125 Å²	125	149.9 Å²	149.9	76%	0.758	79%	0.794	S	S	*	*				31.7	131.3	102.8	-178	0	0	0	0	110
1041	T	30.7	Very low	28.6	Very low	139 Å²	139	150.6 Å²	150.6	85%	0.853	80%	0.799	S	S	*	*				176.9	0	118.4	31	0	0	0	0	108.6
1042	E	24.6	Very low	28.9	Very low	165 Å²	165	150.3 Å²	150.3	77%	0.771	80%	0.802	S	S	*	*				0	0	0	-100.7	-179.7	-178.3	0	0	111.9
1043	Y	31.1	Very low	28.6	Very low	245 Å²	245	153 Å²	153	96%	0.961	81%	0.811	S	S	*	*				0	0	0	-93	-83.2	0	0	0	109.2
1044	H	27.3	Very low	28.5	Very low	155 Å²	155	154 Å²	154	72%	0.718	82%	0.816	S	S	*	*				0	131.8	0	-97	-74.6	0	0	0	111.6
1045	S	30.7	Very low	28.5	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	82%	0.819	S	S	*	*				-178.9	0	119.8	49.8	0	0	0	0	109.2
1046	N	25.9	Very low	28.5	Very low	148 Å²	148	151.2 Å²	151.2	79%	0.791	82%	0.821	S	S	*	*				0	117.7	0	-83.9	-14.6	0	0	0	112.1
1047	E	31.4	Very low	28.6	Very low	200 Å²	200	155.6 Å²	155.6	94%	0.935	83%	0.828	S	S	*	*			trans	-166.9	0	132.7	-94.8	-172.8	173.8	0	0	109.4
1048	C	30.4	Very low	28.7	Very low	125 Å²	125	156 Å²	156	85%	0.845	83%	0.83	S	S	*	*				0	0	0	-108.4	0	0	0	0	110.8
1049	L	26.4	Very low	28.7	Very low	170 Å²	170	154.9 Å²	154.9	89%	0.89	83%	0.832	S	S	*	*				0	0	0	-91.8	151.5	0	0	0	110.9
1050	S	28.2	Very low	28.6	Very low	105 Å²	105	152.9 Å²	152.9	73%	0.734	83%	0.827	S	S	*	*				0	0	0	54.8	0	0	0	0	109.3
1051	D	26.7	Very low	28.8	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	83%	0.829	S	S	*	*				0	0	0	-88.6	-16.8	0	0	0	109.8
1052	V	32.1	Very low	28.6	Very low	144 Å²	144	156.1 Å²	156.1	87%	0.873	83%	0.826	S	S	*	*				0	0	0	-179.5	0	0	0	0	108
1053	D	27.5	Very low	28.7	Very low	167 Å²	167	154 Å²	154	89%	0.893	82%	0.824	S	S	*	*				0	90.2	0	-114.6	-8.1	0	0	0	111.3
1054	C	25.6	Very low	28.5	Very low	122 Å²	122	150.5 Å²	150.5	82%	0.824	82%	0.821	S	S	*	*			trans	-93.9	96.8	157.2	-65.9	0	0	0	0	110
1055	G	30.6	Very low	28.4	Very low	76 Å²	76	148.7 Å²	148.7	78%	0.784	83%	0.826	S	S	*	*			trans	-85.8	103	163.3	0	0	0	0	0	111.1
1056	N	27.1	Very low	28.1	Very low	135 Å²	135	151.2 Å²	151.2	72%	0.722	83%	0.828	S	S	*	*				52.7	89.4	100.2	-88.9	-7.8	0	0	0	111.5
1057	Y	29.9	Very low	28.3	Very low	235 Å²	235	148.8 Å²	148.8	92%	0.922	83%	0.829	S	S	*	*			trans	-116.8	90.4	147.6	-86.6	-82	0	0	0	109.5
1058	Y	30.8	Very low	28	Very low	216 Å²	216	148.4 Å²	148.4	85%	0.847	83%	0.83	S	S	*	*			trans	-37.7	102.1	154	-92.8	-84.9	0	0	0	111.3
1059	C	28.2	Very low	27.7	Very low	117 Å²	117	147.2 Å²	147.2	79%	0.791	82%	0.823	S	S	*	*				-23.3	0	123.9	-86.6	0	0	0	0	111.2
1060	N	28	Very low	27.8	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	82%	0.819	S	S	*	*				0	102	0	-152.1	-25.2	0	0	0	111.8
1061	P	31.6	Very low	27.6	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	82%	0.82	S	S	*	*			trans	-97.1	0	158.4	26.7	-1.3	0	0	0	111.7
1062	R	27.1	Very low	27.6	Very low	209 Å²	209	146.6 Å²	146.6	79%	0.789	82%	0.817	S	S	*	*				0	116.8	0	-92.4	-172.5	174.4	164.2	0.7	111.8
1063	V	27.2	Very low	27.4	Very low	120 Å²	120	143.9 Å²	143.9	73%	0.727	81%	0.805	S	S	*	*				100.1	0	113.4	178.1	0	0	0	0	108.6
1064	L	26.1	Very low	27.4	Very low	172 Å²	172	142.9 Å²	142.9	90%	0.901	80%	0.799	S	S	*	*				0	84	0	-95.3	153.3	0	0	0	109.2
1065	S	24.7	Very low	27.4	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	79%	0.792	S	S	*	*			trans	-127.3	85.4	148.5	84.7	0	0	0	0	109.8
1066	L	25.5	Very low	27.3	Very low	174 Å²	174	142.4 Å²	142.4	91%	0.911	79%	0.785	S	S	*	*			trans	-129.4	102.6	151.7	-121.8	101	0	0	0	109.4
1067	A	28.7	Very low	27.4	Very low	98 Å²	98	144.2 Å²	144.2	81%	0.81	79%	0.789	S	S	*	*				167.5	104.3	123.8	0	0	0	0	0	109
1068	M	25.1	Very low	27.3	Very low	192 Å²	192	138.1 Å²	138.1	95%	0.946	78%	0.781	S	S	*	*				-4.4	110.7	117.2	-67.7	-160.7	103.6	0	0	111.6
1069	S	25.1	Very low	27.7	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	77%	0.77	S	S	*	*				131.7	118.7	118.5	-155.8	0	0	0	0	109.4
1070	M	27.8	Very low	27.8	Very low	163 Å²	163	132.8 Å²	132.8	80%	0.803	77%	0.769	S	S	*	*				119.3	111.3	109.6	-76	-161.5	149.7	0	0	109.4
1071	D	25.4	Very low	28	Very low	145 Å²	145	129.7 Å²	129.7	78%	0.775	76%	0.759	S	S	*	*				61.9	121.3	110.5	-82.9	-16.6	0	0	0	110.3
1072	S	26.7	Very low	28.1	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	75%	0.754	S	S	*	*				115.7	114.2	109.5	58	0	0	0	0	109.5
1073	S	26.8	Very low	28.5	Very low	88 Å²	88	126.8 Å²	126.8	62%	0.615	75%	0.747	S	S	*	*				80.7	116.1	109.6	50.2	0	0	0	0	110.1
1074	N	27	Very low	28.6	Very low	145 Å²	145	125.8 Å²	125.8	78%	0.775	74%	0.742	S	S	*	*				121.1	107.8	116.5	-89	-9.9	0	0	0	109.8
1075	S	27.3	Very low	28.8	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	73%	0.727	S	S	*	*				95.9	109	105.1	62.9	0	0	0	0	109.9
1076	S	27	Very low	29	Very low	91 Å²	91	123.5 Å²	123.5	64%	0.636	73%	0.726	S	S	*	*				101.2	107.9	107.7	63	0	0	0	0	109.8
1077	E	30.5	Very low	29.3	Very low	174 Å²	174	118 Å²	118	81%	0.813	71%	0.711	S	S	*	*				122.5	0	111.7	-97.5	-178.6	178.6	0	0	109.5
1078	S	27.8	Very low	29.4	Very low	106 Å²	106	121.1 Å²	121.1	74%	0.741	71%	0.709	S	S	*	*				0	163.3	0	61.6	0	0	0	0	111.5
1079	P	39.4	Very low	29.6	Very low	96 Å²	96	118.9 Å²	118.9	62%	0.623	70%	0.696	S	S	*	*				-132.8	158.5	-91.7	34	-5.1	0	0	0	112
1080	T	29.8	Very low	29.9	Very low	126 Å²	126	119.6 Å²	119.6	77%	0.773	69%	0.692	S	S	*	*			trans	139.6	136.6	136.8	39.5	0	0	0	0	108.8
1081	S	32.3	Very low	30	Very low	84 Å²	84	117.6 Å²	117.6	59%	0.587	69%	0.685	S	S	*	*				72.5	133.7	89.4	56	0	0	0	0	110.1
1082	H	32.8	Very low	30.1	Very low	148 Å²	148	119 Å²	119	69%	0.685	68%	0.684	S	S	*	*				158.9	112.3	128.4	-100.9	-81.8	0	0	0	109.2
1083	D	34.8	Very low	30.1	Very low	123 Å²	123	120.1 Å²	120.1	66%	0.658	68%	0.681	S	S	*	*				127.5	0	101.8	-87.6	-16.5	0	0	0	109.8
1084	T	31.3	Very low	30	Very low	99 Å²	99	121.2 Å²	121.2	61%	0.607	68%	0.68	S	S	*	*				0	117.5	0	-18.1	0	0	0	0	109.8
1085	C	28.7	Very low	30	Very low	88 Å²	88	122.1 Å²	122.1	60%	0.595	68%	0.677	S	S	*	*				122.1	114.9	94.8	-84.8	0	0	0	0	109.6
1086	I	29.1	Very low	29.8	Very low	153 Å²	153	123.8 Å²	123.8	79%	0.785	68%	0.683	S	S	*	*				114.9	113.1	92.5	-63.6	179.8	0	0	0	108.3
1087	G	32.8	Very low	29.8	Very low	59 Å²	59	123 Å²	123	61%	0.608	69%	0.689	S	S	*	*				137.4	104.5	100.8	0	0	0	0	0	110.2
1088	Q	31.1	Very low	29.6	Very low	163 Å²	163	118.9 Å²	118.9	76%	0.762	69%	0.685	S	S	*	*				97.7	0	94.4	-97.3	-171.3	-21.8	0	0	110.3
1089	Q	28.1	Very low	29.7	Very low	145 Å²	145	121.6 Å²	121.6	68%	0.678	69%	0.686	S	S	*	*				0	114.4	0	-108.7	-178.7	1.6	0	0	110.1
1090	D	32.1	Very low	29.3	Very low	114 Å²	114	122.3 Å²	122.3	61%	0.61	69%	0.685	S	S	*	*				143.7	113.6	109.4	-83.7	-19.4	0	0	0	109.4
1091	N	29.4	Very low	29.4	Very low	122 Å²	122	122.1 Å²	122.1	65%	0.652	68%	0.679	S	S	*	*				97.9	110.6	95.4	-88.1	-10.5	0	0	0	110.6
1092	K	27.7	Very low	29.3	Very low	173 Å²	173	124.6 Å²	124.6	75%	0.752	68%	0.684	S	S	*	*				96.4	110.7	103	-103.8	-178.2	-175.6	-175.1	0	110.3
1093	L	26.6	Very low	29.2	Very low	128 Å²	128	126.2 Å²	126.2	67%	0.67	69%	0.689	S	S	*	*				123.4	110.4	112.8	-130.1	109.2	0	0	0	109.6
1094	L	25.5	Very low	29.3	Very low	112 Å²	112	124.4 Å²	124.4	59%	0.586	68%	0.684	S	S	*	*				102.9	114.8	104.1	-117.2	112.5	0	0	0	109.8
1095	K	25	Very low	29.4	Very low	163 Å²	163	125.9 Å²	125.9	71%	0.709	68%	0.684	S	S	*	*				90.5	112.6	104.8	-104.8	179.1	-178.8	179.7	0	110.3
1096	T	24.5	Very low	29.5	Very low	133 Å²	133	129.2 Å²	129.2	82%	0.816	69%	0.688	S	S	*	*				91.1	116	116.7	52.6	0	0	0	0	109.6
1097	G	26	Very low	29.5	Very low	73 Å²	73	126.6 Å²	126.6	75%	0.753	68%	0.68	S	S	*	*				118.6	0	119.9	0	0	0	0	0	110.7
1098	A	27.2	Very low	29.4	Very low	89 Å²	89	130 Å²	130	74%	0.736	68%	0.684	S	S	*	*				0	116.7	0	0	0	0	0	0	109.8
1099	E	29.2	Very low	29.2	Very low	162 Å²	162	131 Å²	131	76%	0.757	69%	0.686	S	S	*	*				127.7	114.9	108.2	-96.7	-174.2	174.9	0	0	109.7
1100	N	31.3	Very low	29.1	Very low	112 Å²	112	129.4 Å²	129.4	60%	0.599	69%	0.691	S	S	*	*				126.8	109.5	98.4	-78.9	-15.4	0	0	0	110
1101	D	32.3	Very low	29.1	Very low	122 Å²	122	127.3 Å²	127.3	65%	0.652	70%	0.696	S	S	*	*				136.6	109.3	95.6	-84.3	-18	0	0	0	109.6
1102	I	30.4	Very low	28.9	Very low	135 Å²	135	127.2 Å²	127.2	69%	0.692	71%	0.705	S	S	*	*				108.7	0	91.3	-63.9	173.9	0	0	0	108.4
1103	F	30.7	Very low	28.9	Very low	183 Å²	183	130.4 Å²	130.4	80%	0.803	71%	0.712	S	S	*	*				0	164.6	0	-97.5	-81.2	0	0	0	111.3
1104	P	37.1	Very low	28.8	Very low	84 Å²	84	128.9 Å²	128.9	55%	0.545	71%	0.712	S	S	.	*			cis	-172.6	152.9	17.3	33.8	-4.2	0	0	0	112.4
1105	H	33.3	Very low	28.9	Very low	130 Å²	130	132.4 Å²	132.4	60%	0.602	72%	0.723	S	S	*	*				133.4	117.4	103.1	-98.8	-63.7	0	0	0	109.7
1106	K	29.4	Very low	28.8	Very low	158 Å²	158	135.8 Å²	135.8	69%	0.687	73%	0.731	S	S	*	*				89.2	124.2	86.8	-94.9	-172.7	-176.9	179	0	110.5
1107	T	30.2	Very low	28.9	Very low	99 Å²	99	136 Å²	136	61%	0.607	73%	0.725	S	S	*	*				104.6	129.7	84.3	50.1	0	0	0	0	109.6
1108	N	29.6	Very low	28.9	Very low	130 Å²	130	140.2 Å²	140.2	70%	0.695	73%	0.725	S	S	*	*				138.4	117.8	104.5	-88.1	-11.9	0	0	0	110.1
1109	K	27.9	Very low	28.8	Very low	183 Å²	183	139.5 Å²	139.5	80%	0.796	72%	0.719	S	S	*	*				82.7	119.9	88.1	-98.8	-176.6	-177.4	178.1	0	110.7
1110	S	26.8	Very low	28.7	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	72%	0.718	S	S	*	*				83.1	124	97.1	61.9	0	0	0	0	110.5
1111	G	30.5	Very low	28.6	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	73%	0.725	S	S	*	*				156.5	103.1	127	0	0	0	0	0	109.9
1112	S	25.2	Very low	28.3	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	73%	0.728	S	S	*	*				56.2	119.4	97.1	-64.8	0	0	0	0	111.2
1113	R	29.2	Very low	28.2	Very low	241 Å²	241	137.9 Å²	137.9	91%	0.909	73%	0.734	S	S	*	*				151.5	105.3	124.6	-107.1	-179.4	-179.6	-177.6	-0.7	109.3
1114	S	24	Very low	28	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	74%	0.739	S	S	*	*				45.3	114.7	98.4	170.1	0	0	0	0	111.2
1115	F	27	Very low	27.5	Very low	185 Å²	185	141.4 Å²	141.4	81%	0.811	75%	0.751	S	S	*	*			trans	168.9	98.8	131.6	-101.6	-82.9	0	0	0	108.9
1116	R	23.5	Very low	27.3	Very low	234 Å²	234	141 Å²	141	88%	0.883	75%	0.75	S	S	*	*				21.3	110.5	105.2	-157.9	173.5	-162.1	172.4	-1	111.4
1117	M	26.7	Very low	27.1	Very low	138 Å²	138	137.6 Å²	137.6	68%	0.68	74%	0.737	S	S	*	*			trans	163.8	103.7	134.2	-91.6	-166.5	79.7	0	0	109.1
1118	Q	25.8	Very low	26.9	Very low	161 Å²	161	136.1 Å²	136.1	75%	0.752	73%	0.73	S	S	*	*				84.2	110.7	102	-97.9	-178.1	16.4	0	0	110.5
1119	A	25.4	Very low	26.8	Very low	74 Å²	74	135 Å²	135	61%	0.612	72%	0.723	S	S	*	*				86.7	106.4	111.1	0	0	0	0	0	110
1120	N	27.4	Very low	26.7	Very low	139 Å²	139	130.9 Å²	130.9	74%	0.743	71%	0.705	S	S	*	*				131.1	102.7	123.1	-82.6	-8.4	0	0	0	109.9
1121	D	28.4	Very low	26.7	Very low	140 Å²	140	128.7 Å²	128.7	75%	0.749	69%	0.69	S	S	*	*				108.6	100.7	114.3	-92.6	-13	0	0	0	109.7
1122	S	25.1	Very low	26.4	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	70%	0.697	S	S	*	*				74.8	102.2	107.6	51.5	0	0	0	0	110.4
1123	S	29.9	Very low	26.5	Very low	119 Å²	119	132.4 Å²	132.4	83%	0.832	68%	0.677	S	S	*	*			trans	170.9	0	136.4	57.1	0	0	0	0	109.4
1124	K	26.1	Very low	26.3	Very low	209 Å²	209	128 Å²	128	91%	0.909	67%	0.672	S	S	*	*				0	0	0	-114.1	177.9	-178.1	-178.3	0	110.6
1125	V	27	Very low	26.6	Very low	131 Å²	131	130.4 Å²	130.4	79%	0.794	67%	0.67	S	S	*	*				0	0	0	176.6	0	0	0	0	108.2
1126	E	27.2	Very low	26.5	Very low	121 Å²	121	124.4 Å²	124.4	57%	0.565	66%	0.661	S	S	*	*				0	0	0	-102.2	-176.2	177.5	0	0	109.9	N551 K552	N551-E1126 HydrophobicContact CB-CB 4.46Å; N551-E1126 WeakPolarHBondContact ND2-CB 2.07Å; N551-E1126 PolarHBondContact ND2-O 2.86Å; N551-E1126 PolarHBondContact ND2-OE2 2.72Å; K552-E1126 HydrophobicContact CD-CB 4.48Å; K552-E1126 HydrophobicContact CD-CG 4.34Å; K552-E1126 VanDerWaalsContact NZ-CA 3.26Å
1127	M	26.3	Very low	26.9	Very low	88 Å²	88	119.4 Å²	119.4	43%	0.433	65%	0.651	S	S	.	*				0	151	0	-64.8	-78.3	-66.4	0	0	111.5	K552 L1129	K552-M1127 HydrophobicContact CD-CB 4.16Å; K552-M1127 WeakPolarHBondContact CD-O 2.9Å; K552-M1127 CovalentContact CE-O 1.44Å; K552-M1127 WeakPolarHBondContact CE-O 1.44Å; K552-M1127 WeakPolarHBondContact CG-O 3.46Å; K552-M1127 VanDerWaalsContact NZ-C 3.34Å; K552-M1127 VanDerWaalsContact NZ-CA 3.26Å; K552-M1127 VanDerWaalsContact NZ-N 3.14Å; K552-M1127 PolarHBondContact NZ-O 3.27Å; M1127-L1129 HydrophobicContact CB-CB 4.39Å; M1127-L1129 HydrophobicContact CE-CB 2.5Å; M1127-L1129 CovalentContact CE-CD1 1.95Å; M1127-L1129 HydrophobicContact CE-CD1 1.95Å; M1127-L1129 HydrophobicContact CE-CD2 3.97Å; M1127-L1129 HydrophobicContact CE-CG 2.67Å; M1127-L1129 HydrophobicContact CG-CD1 4.43Å; M1127-L1129 HydrophobicContact SD-CB 4.2Å; M1127-L1129 HydrophobicContact SD-CD1 3.47Å; M1127-L1129 WeakPolarHBondContact SD-CD1 2.89Å; M1127-L1129 HydrophobicContact SD-CG 4.45Å
1128	P	26.2	Very low	26.9	Very low	68 Å²	68	121.3 Å²	121.3	44%	0.442	66%	0.659	S	S	.	*				-126.8	116	79.2	33.4	-5	0	0	0	111.8	K552	K552-P1128 HydrophobicContact CB-CB 3.7Å; K552-P1128 HydrophobicContact CB-CG 3.7Å; K552-P1128 HydrophobicContact CD-CB 3.83Å; K552-P1128 HydrophobicContact CD-CG 4.39Å; K552-P1128 VanDerWaalsContact CE-CA 3.46Å; K552-P1128 HydrophobicContact CG-CB 2.86Å; K552-P1128 HydrophobicContact CG-CG 3.04Å
1129	L	26.9	Very low	27.1	Very low	106 Å²	106	122.3 Å²	122.3	56%	0.555	66%	0.661	S	S	*	*				-4.8	105.7	102.1	-121.6	108.4	0	0	0	111.2	M1127 S1131	M1127-L1129 HydrophobicContact CB-CB 4.39Å; M1127-L1129 HydrophobicContact CE-CB 2.5Å; M1127-L1129 CovalentContact CE-CD1 1.95Å; M1127-L1129 HydrophobicContact CE-CD1 1.95Å; M1127-L1129 HydrophobicContact CE-CD2 3.97Å; M1127-L1129 HydrophobicContact CE-CG 2.67Å; M1127-L1129 HydrophobicContact CG-CD1 4.43Å; M1127-L1129 HydrophobicContact SD-CB 4.2Å; M1127-L1129 HydrophobicContact SD-CD1 3.47Å; M1127-L1129 WeakPolarHBondContact SD-CD1 2.89Å; M1127-L1129 HydrophobicContact SD-CG 4.45Å; L1129-S1131 WeakPolarHBondContact CD2-OG 3.32Å
1130	F	26.5	Very low	27.3	Very low	96 Å²	96	125.8 Å²	125.8	42%	0.421	66%	0.664	S	S	.	*				-113.2	86.3	128.7	-101.7	-82.8	0	0	0	109.7	V554 K555	V554-F1130 VanDerWaalsContact CA-CG 3.42Å; V554-F1130 CovalentContact CA-CZ 1.53Å; V554-F1130 HydrophobicContact CB-CB 4.31Å; V554-F1130 HydrophobicContact CB-CD1 2.43Å; V554-F1130 HydrophobicContact CB-CD2 2.42Å; V554-F1130 CovalentContact CB-CE1 1.42Å; V554-F1130 HydrophobicContact CB-CE1 1.42Å; V554-F1130 CovalentContact CB-CE2 1.4Å; V554-F1130 HydrophobicContact CB-CE2 1.4Å; V554-F1130 HydrophobicContact CB-CG 2.79Å; V554-F1130 HydrophobicContact CB-CZ 0.09Å; V554-F1130 HydrophobicContact CG1-CD1 2.17Å; V554-F1130 HydrophobicContact CG1-CD2 3.51Å; V554-F1130 CovalentContact CG1-CE1 0.83Å; V554-F1130 HydrophobicContact CG1-CE1 0.83Å; V554-F1130 HydrophobicContact CG1-CE2 2.89Å; V554-F1130 HydrophobicContact CG1-CG 3.23Å; V554-F1130 CovalentContact CG1-CZ 1.57Å; V554-F1130 HydrophobicContact CG1-CZ 1.57Å; V554-F1130 HydrophobicContact CG2-CB 3.02Å; V554-F1130 HydrophobicContact CG2-CD1 1.93Å; V554-F1130 CovalentContact CG2-CD2 1.2Å; V554-F1130 HydrophobicContact CG2-CD2 1.2Å; V554-F1130 HydrophobicContact CG2-CE1 1.94Å; V554-F1130 CovalentContact CG2-CE2 1.21Å; V554-F1130 HydrophobicContact CG2-CE2 1.21Å; V554-F1130 CovalentContact CG2-CG 1.59Å; V554-F1130 HydrophobicContact CG2-CG 1.59Å; V554-F1130 HydrophobicContact CG2-CZ 1.66Å; V554-F1130 WeakPolarHBondContact O-CZ 3.47Å; K555-F1130 HydrophobicContact CB-CE1 4.45Å; K555-F1130 HydrophobicContact CB-CZ 4.36Å; K555-F1130 HydrophobicContact CD-CE1 4.28Å; K555-F1130 HydrophobicContact CG-CE1 3.58Å; K555-F1130 HydrophobicContact CG-CZ 3.97Å
1131	S	25.6	Very low	27.3	Very low	67 Å²	67	125 Å²	125	47%	0.469	66%	0.66	S	S	.	*				-30.8	112.1	120.2	58.8	0	0	0	0	111.8	L1129	L1129-S1131 WeakPolarHBondContact CD2-OG 3.32Å
1132	E	25.1	Very low	27.5	Very low	186 Å²	186	125.4 Å²	125.4	87%	0.869	66%	0.661	S	S	*	*				60.1	92.5	119.2	-106.3	178.5	179.1	0	0	109.8
1133	I	27.9	Very low	27.7	Very low	82 Å²	82	124.1 Å²	124.1	42%	0.421	65%	0.652	S	S	.	*			trans	-129.2	92.3	145	-61.8	173.5	0	0	0	108.2	K555 F1135	K555-I1133 HydrophobicContact CD-CD1 3.6Å; K555-I1133 HydrophobicContact CG-CD1 4.1Å; I1133-F1135 HydrophobicContact CG2-CD2 4.1Å; I1133-F1135 HydrophobicContact CG2-CE2 3.94Å
1134	D	24.5	Very low	27.6	Very low	149 Å²	149	125.1 Å²	125.1	80%	0.797	65%	0.648	S	S	*	*				17.5	83.4	111.2	-107.7	-9	0	0	0	111.5
1135	F	29.7	Very low	27.9	Very low	146 Å²	146	119.7 Å²	119.7	64%	0.64	64%	0.637	S	S	*	*			trans	-115.7	69.2	141.7	-86.7	-78.9	0	0	0	109.5	Q556 I1133	Q556-F1135 VanDerWaalsContact NE2-CE2 3.29Å; I1133-F1135 HydrophobicContact CG2-CD2 4.1Å; I1133-F1135 HydrophobicContact CG2-CE2 3.94Å
1136	G	26.2	Very low	27.9	Very low	59 Å²	59	121.2 Å²	121.2	61%	0.608	64%	0.635	S	S	*	*				-40.3	79.5	119.1	0	0	0	0	0	112.2
1137	D	31.5	Very low	27.9	Very low	129 Å²	129	120.8 Å²	120.8	69%	0.69	64%	0.635	S	S	*	*			trans	-111.8	91	152.4	-90.5	-13.4	0	0	0	109.7
1138	Q	26.2	Very low	27.9	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	66%	0.656	S	S	*	*				41.8	88.5	109.1	-77.5	-155.8	8.5	0	0	111.2
1139	K	29.9	Very low	28.1	Very low	182 Å²	182	124.3 Å²	124.3	79%	0.791	67%	0.666	S	S	*	*			trans	-178.9	94	130.2	-114.7	-178.3	-179.9	175.4	0	109.4
1140	E	28.8	Very low	28.1	Very low	146 Å²	146	124.9 Å²	124.9	68%	0.682	67%	0.674	S	S	*	*				99.6	95.3	104.6	-91.6	-169.2	176	0	0	110.2
1141	D	29.4	Very low	28.3	Very low	122 Å²	122	128.1 Å²	128.1	65%	0.652	69%	0.687	S	S	*	*				114.8	101.6	110	-82.4	-15.6	0	0	0	109.7
1142	L	32.2	Very low	28.4	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	70%	0.704	S	S	*	*				132.5	102.9	105.8	-87.7	141	0	0	0	109.2
1143	S	28.2	Very low	28.7	Very low	73 Å²	73	130.9 Å²	130.9	51%	0.51	69%	0.694	S	S	.	*				63.4	109.3	93.9	63.4	0	0	0	0	110.9
1144	N	29.2	Very low	28.9	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	71%	0.708	S	S	*	*				125.1	106.9	110	-87.4	-10.6	0	0	0	110.1
1145	S	30.6	Very low	29.3	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	70%	0.701	S	S	*	*				100.8	109.5	93.4	60.5	0	0	0	0	110.2
1146	H	27.4	Very low	29.4	Very low	162 Å²	162	134.7 Å²	134.7	75%	0.75	70%	0.702	S	S	*	*				43.4	109.1	104.5	-101	-71.8	0	0	0	111.2
1147	I	27.6	Very low	29.7	Very low	113 Å²	113	136.4 Å²	136.4	58%	0.579	71%	0.705	S	S	*	*				103.9	105.7	124.1	-65.2	178.1	0	0	0	108.7
1148	L	26.8	Very low	29.6	Very low	167 Å²	167	136 Å²	136	87%	0.874	71%	0.707	S	S	*	*				101.1	107.9	122.5	-88.8	152.8	0	0	0	109.8
1149	G	29.5	Very low	29.9	Very low	62 Å²	62	133.8 Å²	133.8	64%	0.639	71%	0.706	S	S	*	*				126.3	99.4	119.6	0	0	0	0	0	110.2
1150	V	27.6	Very low	29.7	Very low	119 Å²	119	135.3 Å²	135.3	72%	0.721	71%	0.707	S	S	*	*				75.9	113.1	107.6	-179.7	0	0	0	0	109.2
1151	K	30.4	Very low	29.9	Very low	163 Å²	163	139 Å²	139	71%	0.709	72%	0.715	S	S	*	*				129.4	111.8	112.8	-90.6	-172.2	-178	177.8	0	109.8
1152	R	28.6	Very low	30.1	Very low	219 Å²	219	138.7 Å²	138.7	83%	0.826	71%	0.713	S	S	*	*				94.5	115.5	97.3	-105	179.4	-177.7	-170.9	0.4	110.2
1153	S	30.4	Very low	29.9	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	71%	0.712	S	S	*	*				131.7	107.5	104.6	89.4	0	0	0	0	109.6
1154	K	32.9	Very low	30.2	Very low	164 Å²	164	144.1 Å²	144.1	71%	0.713	73%	0.73	S	S	*	*				141.6	110.7	100.2	-103.1	-175.6	-175.1	179.2	0	109.6
1155	Y	33.2	Very low	30.3	Very low	170 Å²	170	146 Å²	146	67%	0.667	73%	0.734	S	S	*	*				128.5	105.9	99.6	-102	-85.5	0	0	0	109.3
1156	D	32.1	Very low	30.4	Very low	123 Å²	123	151.3 Å²	151.3	66%	0.658	74%	0.741	S	S	*	*				114.1	110.2	90.7	-114.1	-9.4	0	0	0	109.6
1157	S	31.9	Very low	30.5	Very low	96 Å²	96	149.7 Å²	149.7	67%	0.671	74%	0.738	S	S	*	*				125.3	0	92	56.6	0	0	0	0	109.5
1158	T	29.8	Very low	30.8	Very low	120 Å²	120	151.1 Å²	151.1	74%	0.736	75%	0.747	S	S	*	*				0	119.3	0	42.3	0	0	0	0	110.5
1159	T	32	Very low	30.8	Very low	132 Å²	132	148.4 Å²	148.4	81%	0.81	74%	0.742	S	S	*	*				177.5	107.4	112.6	36.7	0	0	0	0	109
1160	R	26.3	Very low	30.9	Very low	214 Å²	214	154.4 Å²	154.4	81%	0.808	75%	0.751	S	S	*	*				37.2	121.5	87.4	-143.1	175.9	-179.6	153.2	-0.9	111.2
1161	W	32.5	Very low	30.9	Very low	224 Å²	224	155 Å²	155	85%	0.848	76%	0.759	S	S	*	*				-176.6	109.7	120.3	-75.9	69.8	0	0	0	109
1162	D	32.7	Very low	30.9	Very low	115 Å²	115	152.5 Å²	152.5	62%	0.615	76%	0.758	S	S	*	*				79.1	118.2	93.6	-81.8	-24.2	0	0	0	110.2
1163	D	28.7	Very low	30.8	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	76%	0.759	S	S	*	*				53.2	118.3	100.5	-88.2	-14.6	0	0	0	110.7
1164	H	33.7	Very low	30.8	Very low	195 Å²	195	149.8 Å²	149.8	90%	0.903	77%	0.766	S	S	*	*			trans	-177.3	107.5	130.9	-90.4	-60.2	0	0	0	109.2
1165	H	32.5	Very low	30.6	Very low	179 Å²	179	147.5 Å²	147.5	83%	0.829	77%	0.767	S	S	*	*				17.6	120.2	117.6	-102.2	-21.8	0	0	0	111.7
1166	Y	32.9	Very low	30.3	Very low	208 Å²	208	145.4 Å²	145.4	82%	0.816	77%	0.772	S	S	*	*				156	113.3	122	-117.1	-91.5	0	0	0	109
1167	D	29	Very low	30.1	Very low	128 Å²	128	144.8 Å²	144.8	68%	0.684	77%	0.774	S	S	*	*				72.4	114.4	106.5	-103.1	-14.2	0	0	0	110.5
1168	D	32.6	Very low	29.8	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	78%	0.779	S	S	*	*				155.5	101.9	124.5	-95.1	-11.2	0	0	0	109.1
1169	S	28.8	Very low	29.8	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	78%	0.782	S	S	*	*				42.3	90.3	118.4	55.6	0	0	0	0	111.2
1170	K	31.4	Very low	29.4	Very low	189 Å²	189	145.8 Å²	145.8	82%	0.822	78%	0.779	S	S	*	*			trans	-151.9	90.4	154.4	-91.3	-173.7	-176	-177.8	0	109.2
1171	S	27.1	Very low	29.5	Very low	130 Å²	130	141.4 Å²	141.4	91%	0.909	78%	0.781	S	S	*	*			trans	-42.4	81.3	143.8	146.3	0	0	0	0	111.3
1172	T	30.4	Very low	29.2	Very low	111 Å²	111	134.3 Å²	134.3	68%	0.681	78%	0.778	S	S	*	*			trans	-105.8	94.7	169.8	36.6	0	0	0	0	109
1173	A	26.9	Very low	28.9	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	79%	0.786	S	S	*	*				1	91.3	126.1	0	0	0	0	0	111.4
1174	I	28.6	Very low	28.9	Very low	154 Å²	154	135.6 Å²	135.6	79%	0.79	79%	0.792	S	S	*	*			trans	-91.5	111.8	163.6	-60.7	174.1	0	0	0	108.5
1175	P	29.5	Very low	28.5	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	79%	0.786	S	S	*	*			trans	-65.3	109	173.8	27	-1.2	0	0	0	111.8
1176	V	27.3	Very low	28.4	Very low	126 Å²	126	132 Å²	132	76%	0.764	79%	0.785	S	S	*	*			trans	-52.5	112	156.8	-178.4	0	0	0	0	109.3	V1178	V1176-V1178 PolarHBondContact O-N 3.32Å
1177	P	28.2	Very low	28.2	Very low	109 Å²	109	128.5 Å²	128.5	71%	0.708	79%	0.785	S	S	*	*			trans	-48.9	0	171.9	20	-0	0	0	0	111.7
1178	V	25.8	Very low	28	Very low	125 Å²	125	127.7 Å²	127.7	76%	0.758	79%	0.789	S	S	*	*				0	91.9	0	179.7	0	0	0	0	109.9	V1176	V1176-V1178 PolarHBondContact O-N 3.32Å
1179	V	29.6	Very low	27.7	Very low	135 Å²	135	129.2 Å²	129.2	82%	0.818	79%	0.791	S	S	*	*			trans	-75.1	0	156.6	-178.2	0	0	0	0	108.6
1180	C	23.3	Very low	27.6	Very low	109 Å²	109	132.1 Å²	132.1	74%	0.736	79%	0.793	S	S	*	*				0	108.9	0	-81.2	0	0	0	0	111.2
1181	S	28.3	Very low	27.4	Very low	122 Å²	122	128.1 Å²	128.1	85%	0.853	79%	0.789	S	S	*	*			trans	-162.7	0	134.9	45.1	0	0	0	0	109.2
1182	G	26.4	Very low	27.3	Very low	75 Å²	75	126.8 Å²	126.8	77%	0.773	78%	0.779	S	S	*	*				0	79.5	0	0	0	0	0	0	109.9
1183	S	25.9	Very low	27.1	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	78%	0.781	S	S	*	*			trans	-42.8	91.9	140.9	-29.3	0	0	0	0	111.6
1184	L	29.2	Very low	27.2	Very low	168 Å²	168	130.3 Å²	130.3	88%	0.88	78%	0.78	S	S	*	*			trans	-70.8	89.6	154.2	-99.4	141.5	0	0	0	110.4
1185	N	25.2	Very low	27.1	Very low	144 Å²	144	129.9 Å²	129.9	77%	0.77	78%	0.779	S	S	*	*			trans	-38.9	91.1	142.3	-82.5	-15.3	0	0	0	111.9
1186	I	29.1	Very low	27	Very low	156 Å²	156	130 Å²	130	80%	0.8	78%	0.783	S	S	*	*			trans	-112.8	0	149.3	-64.2	174.6	0	0	0	108.5
1187	V	28.8	Very low	27.2	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	78%	0.775	S	S	*	*				0	105	0	179.9	0	0	0	0	109.9
1188	S	25.3	Very low	27.3	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	76%	0.764	S	S	*	*			trans	-17.7	112.9	137.8	-56	0	0	0	0	111.8
1189	E	26.2	Very low	27.7	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	76%	0.763	S	S	*	*				178.6	110.5	129.4	-100.7	-179.4	178.7	0	0	109.2
1190	E	27.5	Very low	27.8	Very low	171 Å²	171	124.8 Å²	124.8	80%	0.799	75%	0.75	S	S	*	*				127.9	0	117.7	-97.3	178.8	179.1	0	0	109.7
1191	S	26.5	Very low	28.1	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	74%	0.742	S	S	*	*				0	110.2	0	59.7	0	0	0	0	110
1192	S	26.1	Very low	28.4	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	72%	0.723	S	S	*	*				97.9	0	107.6	54.5	0	0	0	0	110.1
1193	Q	25.1	Very low	28.8	Very low	153 Å²	153	127.2 Å²	127.2	72%	0.715	72%	0.718	S	S	*	*				0	0	0	-99	177.4	8.7	0	0	109.8
1194	T	28.5	Very low	29.1	Very low	133 Å²	133	124.5 Å²	124.5	82%	0.816	70%	0.703	S	S	*	*				0	0	0	54.2	0	0	0	0	109
1195	N	28.1	Very low	29.4	Very low	146 Å²	146	120.6 Å²	120.6	78%	0.781	69%	0.686	S	S	*	*				0	84.7	0	-86.5	-13.1	0	0	0	110.5	V1197	N1195-V1197 PolarHBondContact O-N 2.8Å
1196	S	26.7	Very low	30.1	Very low	118 Å²	118	118.7 Å²	118.7	83%	0.825	68%	0.675	S	S	*	*			trans	-28.8	70.8	151.6	69	0	0	0	0	111.5	N1198	S1196-N1198 PolarHBondContact O-N 2.93Å
1197	V	31.9	Very low	30.6	Very low	98 Å²	98	114 Å²	114	59%	0.594	66%	0.656	S	S	*	*			trans	-65.2	90.7	168.1	179.2	0	0	0	0	109	N1195 T1199 I1202	N1195-V1197 PolarHBondContact O-N 2.8Å; V1197-T1199 PolarHBondContact O-N 3.2Å; V1197-T1199 VanDerWaalsContact O-N 3.1Å; V1197-I1202 HydrophobicContact CG1-CD1 4.28Å
1198	N	29.2	Very low	31.1	Very low	92 Å²	92	111.2 Å²	111.2	49%	0.492	64%	0.637	S	S	.	*			trans	-11.3	0	159.5	-93.1	-9.1	0	0	0	112	S1196 S1200 E1201	S1196-N1198 PolarHBondContact O-N 2.93Å; N1198-S1200 PolarHBondContact O-N 3.22Å; N1198-E1201 HydrophobicContact CB-CB 4.24Å; N1198-E1201 PolarHBondContact O-N 2.98Å
1199	T	34.2	Very low	31.9	Very low	119 Å²	119	113.4 Å²	113.4	73%	0.73	63%	0.629	S	S	*	*	H	α-helix		0	-10	0	47.7	0	0	0	0	111.1	V1197 H1203	V1197-T1199 PolarHBondContact O-N 3.2Å; V1197-T1199 VanDerWaalsContact O-N 3.1Å; T1199-H1203 PolarHBondContact O-N 2.36Å
1200	S	31.4	Very low	32.7	Very low	77 Å²	77	111.9 Å²	111.9	54%	0.538	62%	0.616	S	S	.	*	H	α-helix	trans	-95	0	178.2	66.8	0	0	0	0	111	N1198 A1204	N1198-S1200 PolarHBondContact O-N 3.22Å; S1200-A1204 WeakPolarHBondContact O-CB 3.49Å; S1200-A1204 PolarHBondContact O-N 3.39Å; S1200-A1204 VanDerWaalsContact O-N 3.17Å
1201	E	30.1	Very low	33.3	Very low	123 Å²	123	108.9 Å²	108.9	58%	0.575	60%	0.602	S	S	*	*	H	α-helix		0	0	0	-103.8	177.4	179.4	0	0	111.4	N1198 T1205	N1198-E1201 HydrophobicContact CB-CB 4.24Å; N1198-E1201 PolarHBondContact O-N 2.98Å; E1201-T1205 WeakPolarHBondContact O-CB 2.76Å; E1201-T1205 WeakPolarHBondContact O-CG2 3.47Å; E1201-T1205 PolarHBondContact O-N 0.58Å; E1201-T1205 PolarHBondContact O-OG1 3.32Å
1202	I	35.5	Very low	34	Very low	87 Å²	87	111.7 Å²	111.7	45%	0.446	60%	0.596	S	S	.	*	H	α-helix		0	-28.2	0	-66.6	173.2	0	0	0	109.3	V1197 T1205 L1206	V1197-I1202 HydrophobicContact CG1-CD1 4.28Å; I1202-T1205 VanDerWaalsContact C-OG1 3.29Å; I1202-T1205 WeakPolarHBondContact CA-OG1 1.98Å; I1202-T1205 PolarHBondContact O-OG1 2.87Å; I1202-L1206 HydrophobicContact CG2-CD1 3.56Å; I1202-L1206 HydrophobicContact CG2-CG 4.47Å; I1202-L1206 WeakPolarHBondContact O-CB 2.8Å; I1202-L1206 WeakPolarHBondContact O-CD1 2.24Å; I1202-L1206 VanDerWaalsContact O-CG 3.24Å; I1202-L1206 WeakPolarHBondContact O-CG 2.1Å; I1202-L1206 PolarHBondContact O-N 3.01Å
1203	H	34.9	Very low	34.6	Very low	146 Å²	146	109 Å²	109	68%	0.676	57%	0.574	S	S	*	*	H	α-helix	trans	-79.6	0	177.5	-121.5	-87	0	0	0	110.3	T1199 S1207	T1199-H1203 PolarHBondContact O-N 2.36Å; H1203-S1207 WeakPolarHBondContact O-CB 2.48Å; H1203-S1207 PolarHBondContact O-N 2.84Å
1204	A	31.9	Very low	35.3	Very low	57 Å²	57	105 Å²	105	47%	0.471	56%	0.557	S	S	.	*	H	α-helix		0	0	0	0	0	0	0	0	110.5	S1200 S1207 D1208	S1200-A1204 WeakPolarHBondContact O-CB 3.49Å; S1200-A1204 PolarHBondContact O-N 3.39Å; S1200-A1204 VanDerWaalsContact O-N 3.17Å; A1204-S1207 PolarHBondContact O-N 3.17Å; A1204-D1208 WeakPolarHBondContact O-CB 2.09Å; A1204-D1208 PolarHBondContact O-N 3.28Å
1205	T	34.8	Very low	35.6	Very low	87 Å²	87	102.7 Å²	102.7	53%	0.534	55%	0.546	S	S	.	.	H	α-helix		0	-31.8	0	28.2	0	0	0	0	111	E1201 I1202 Y1209	E1201-T1205 WeakPolarHBondContact O-CB 2.76Å; E1201-T1205 WeakPolarHBondContact O-CG2 3.47Å; E1201-T1205 PolarHBondContact O-N 0.58Å; E1201-T1205 PolarHBondContact O-OG1 3.32Å; I1202-T1205 VanDerWaalsContact C-OG1 3.29Å; I1202-T1205 WeakPolarHBondContact CA-OG1 1.98Å; I1202-T1205 PolarHBondContact O-OG1 2.87Å; T1205-Y1209 WeakPolarHBondContact O-CB 3.1Å; T1205-Y1209 PolarHBondContact O-N 1.99Å
1206	L	40.2	Very low	36	Very low	104 Å²	104	99.2 Å²	99.2	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-78.1	0	178.1	-86.8	156.6	0	0	0	110.1	I1202 Y1209 R1210	I1202-L1206 HydrophobicContact CG2-CD1 3.56Å; I1202-L1206 HydrophobicContact CG2-CG 4.47Å; I1202-L1206 WeakPolarHBondContact O-CB 2.8Å; I1202-L1206 WeakPolarHBondContact O-CD1 2.24Å; I1202-L1206 VanDerWaalsContact O-CG 3.24Å; I1202-L1206 WeakPolarHBondContact O-CG 2.1Å; I1202-L1206 PolarHBondContact O-N 3.01Å; L1206-Y1209 CarbonylContact O-C 3.49Å; L1206-Y1209 PolarHBondContact O-N 3.49Å; L1206-R1210 WeakPolarHBondContact O-CA 3.46Å; L1206-R1210 WeakPolarHBondContact O-CB 2.42Å; L1206-R1210 PolarHBondContact O-N 3.33Å
1207	S	38.9	Very low	36.4	Very low	56 Å²	56	95.3 Å²	95.3	39%	0.392	51%	0.507	S	S	.	.	H	α-helix		0	0	0	-168.9	0	0	0	0	110	H1203 A1204 R1210 E1211	H1203-S1207 WeakPolarHBondContact O-CB 2.48Å; H1203-S1207 PolarHBondContact O-N 2.84Å; A1204-S1207 PolarHBondContact O-N 3.17Å; S1207-R1210 VanDerWaalsContact O-CB 3.29Å; S1207-R1210 WeakPolarHBondContact O-CB 2.83Å; S1207-R1210 PolarHBondContact O-N 2.75Å; S1207-E1211 WeakPolarHBondContact O-CB 2.81Å; S1207-E1211 WeakPolarHBondContact O-CG 0.93Å; S1207-E1211 PolarHBondContact O-N 2.51Å
1208	D	40.4	Very low	36.6	Very low	76 Å²	76	95.2 Å²	95.2	41%	0.406	50%	0.503	S	S	.	.	H	α-helix		0	0	0	-118.2	5.3	0	0	0	111.1	A1204 E1211 R1212	A1204-D1208 WeakPolarHBondContact O-CB 2.09Å; A1204-D1208 PolarHBondContact O-N 3.28Å; D1208-E1211 PolarHBondContact O-N 3.03Å; D1208-R1212 WeakPolarHBondContact O-CB 2.43Å; D1208-R1212 WeakPolarHBondContact O-CG 2Å; D1208-R1212 PolarHBondContact O-N 2.91Å
1209	Y	41.1	Very low	37	Very low	157 Å²	157	95.4 Å²	95.4	62%	0.616	50%	0.504	S	S	*	.	H	α-helix		0	-36.8	0	-153	-99.2	0	0	0	111	T1205 L1206 E1211 R1212 L1213	T1205-Y1209 WeakPolarHBondContact O-CB 3.1Å; T1205-Y1209 PolarHBondContact O-N 1.99Å; L1206-Y1209 CarbonylContact O-C 3.49Å; L1206-Y1209 PolarHBondContact O-N 3.49Å; Y1209-E1211 VanDerWaalsContact C-N 3.34Å; Y1209-R1212 CarbonylContact O-C 3.48Å; Y1209-R1212 PolarHBondContact O-N 2.19Å; Y1209-L1213 HydrophobicContact CD1-CD1 3.71Å; Y1209-L1213 HydrophobicContact CE1-CD1 3.35Å; Y1209-L1213 WeakPolarHBondContact O-CA 1.98Å; Y1209-L1213 WeakPolarHBondContact O-CB 1.91Å; Y1209-L1213 PolarHBondContact O-N 2.81Å
1210	R	43.3	Very low	37.2	Very low	143 Å²	143	94.1 Å²	94.1	54%	0.54	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	0	175.2	-175.6	-179	157.9	-175.8	-0.4	110.2	L1206 S1207 L1213 L1214	L1206-R1210 WeakPolarHBondContact O-CA 3.46Å; L1206-R1210 WeakPolarHBondContact O-CB 2.42Å; L1206-R1210 PolarHBondContact O-N 3.33Å; S1207-R1210 VanDerWaalsContact O-CB 3.29Å; S1207-R1210 WeakPolarHBondContact O-CB 2.83Å; S1207-R1210 PolarHBondContact O-N 2.75Å; R1210-L1213 CarbonylContact O-C 3.32Å; R1210-L1213 PolarHBondContact O-N 2.97Å; R1210-L1214 HydrophobicContact CB-CD1 4.48Å; R1210-L1214 HydrophobicContact CG-CD1 3.43Å; R1210-L1214 VanDerWaalsContact CG-CD1 3.43Å; R1210-L1214 HydrophobicContact CG-CG 3.92Å; R1210-L1214 WeakPolarHBondContact O-CA 2.21Å; R1210-L1214 WeakPolarHBondContact O-CB 2.86Å; R1210-L1214 WeakPolarHBondContact O-CD1 2.23Å; R1210-L1214 WeakPolarHBondContact O-CG 3.4Å; R1210-L1214 PolarHBondContact O-N 3.3Å
1211	E	40.8	Very low	37.5	Very low	108 Å²	108	95.1 Å²	95.1	51%	0.505	49%	0.488	S	S	.	.	H	α-helix		0	0	0	-76.8	-67.9	159.2	0	0	110.3	S1207 D1208 Y1209 L1214 S1215	S1207-E1211 WeakPolarHBondContact O-CB 2.81Å; S1207-E1211 WeakPolarHBondContact O-CG 0.93Å; S1207-E1211 PolarHBondContact O-N 2.51Å; D1208-E1211 PolarHBondContact O-N 3.03Å; Y1209-E1211 VanDerWaalsContact C-N 3.34Å; E1211-L1214 PolarHBondContact O-N 3.48Å; E1211-L1214 CarbonylContact O-C 3.51Å; E1211-S1215 VanDerWaalsContact O-CA 3.28Å; E1211-S1215 WeakPolarHBondContact O-CA 3.45Å; E1211-S1215 WeakPolarHBondContact O-CB 3.15Å; E1211-S1215 PolarHBondContact O-N 1.94Å
1212	R	40.4	Very low	38	Very low	164 Å²	164	93.3 Å²	93.3	62%	0.619	48%	0.483	S	S	*	.	H	α-helix		0	0	0	-77.8	-176.7	-174.8	-176.5	0.4	111.2	D1208 Y1209 S1215 A1216	D1208-R1212 WeakPolarHBondContact O-CB 2.43Å; D1208-R1212 WeakPolarHBondContact O-CG 2Å; D1208-R1212 PolarHBondContact O-N 2.91Å; Y1209-R1212 CarbonylContact O-C 3.48Å; Y1209-R1212 PolarHBondContact O-N 2.19Å; R1212-S1215 CarbonylContact O-C 3.58Å; R1212-S1215 PolarHBondContact O-N 2.99Å; R1212-A1216 WeakPolarHBondContact O-CA 3.11Å; R1212-A1216 WeakPolarHBondContact O-CB 2.3Å; R1212-A1216 PolarHBondContact O-N 1.12Å
1213	L	39.8	Very low	38.2	Very low	46 Å²	46	93.7 Å²	93.7	24%	0.241	49%	0.485	C	S	.	.	H	α-helix		0	0	0	-151	112.9	0	0	0	110.2	A125 Y1209 R1210 S1215 A1216 I1217	A125-L1213 HydrophobicContact CB-CD2 4.16Å; Y1209-L1213 HydrophobicContact CD1-CD1 3.71Å; Y1209-L1213 HydrophobicContact CE1-CD1 3.35Å; Y1209-L1213 WeakPolarHBondContact O-CA 1.98Å; Y1209-L1213 WeakPolarHBondContact O-CB 1.91Å; Y1209-L1213 PolarHBondContact O-N 2.81Å; R1210-L1213 CarbonylContact O-C 3.32Å; R1210-L1213 PolarHBondContact O-N 2.97Å; L1213-S1215 VanDerWaalsContact C-N 3.32Å; L1213-A1216 PolarHBondContact O-N 2.44Å; L1213-A1216 CarbonylContact O-C 3.27Å; L1213-I1217 VanDerWaalsContact C-CG1 3.43Å; L1213-I1217 HydrophobicContact CB-CD1 4.07Å; L1213-I1217 HydrophobicContact CB-CG1 4.44Å; L1213-I1217 HydrophobicContact CD2-CD1 2.82Å; L1213-I1217 HydrophobicContact CD2-CG1 3.75Å; L1213-I1217 HydrophobicContact CG-CD1 3.53Å; L1213-I1217 HydrophobicContact CG-CG1 3.9Å; L1213-I1217 WeakPolarHBondContact O-CA 2.13Å; L1213-I1217 WeakPolarHBondContact O-CB 2.41Å; L1213-I1217 WeakPolarHBondContact O-CD1 2.47Å; L1213-I1217 WeakPolarHBondContact O-CG1 3.37Å; L1213-I1217 PolarHBondContact O-N 3.33Å; L1213-I1217 VanDerWaalsContact O-OXT 3.1Å
1214	L	38.2	Very low	38.4	Very low	69 Å²	69	90 Å²	90	36%	0.361	47%	0.472	S	S	.	.	H	α-helix		0	-29.1	0	-75.4	171.1	0	0	0	109.8	R1210 E1211	R1210-L1214 HydrophobicContact CB-CD1 4.48Å; R1210-L1214 HydrophobicContact CG-CD1 3.43Å; R1210-L1214 VanDerWaalsContact CG-CD1 3.43Å; R1210-L1214 HydrophobicContact CG-CG 3.92Å; R1210-L1214 WeakPolarHBondContact O-CA 2.21Å; R1210-L1214 WeakPolarHBondContact O-CB 2.86Å; R1210-L1214 WeakPolarHBondContact O-CD1 2.23Å; R1210-L1214 WeakPolarHBondContact O-CG 3.4Å; R1210-L1214 PolarHBondContact O-N 3.3Å; E1211-L1214 PolarHBondContact O-N 3.48Å; E1211-L1214 CarbonylContact O-C 3.51Å
1215	S	35.9	Very low	38.9	Very low	83 Å²	83	92.5 Å²	92.5	58%	0.58	47%	0.472	S	S	*	.	H	α-helix	trans	-80	0	174.8	177.2	0	0	0	0	110.2	E1211 R1212 L1213	E1211-S1215 VanDerWaalsContact O-CA 3.28Å; E1211-S1215 WeakPolarHBondContact O-CA 3.45Å; E1211-S1215 WeakPolarHBondContact O-CB 3.15Å; E1211-S1215 PolarHBondContact O-N 1.94Å; R1212-S1215 CarbonylContact O-C 3.58Å; R1212-S1215 PolarHBondContact O-N 2.99Å; L1213-S1215 VanDerWaalsContact C-N 3.32Å
1216	A	36.4	Very low	39.2	Very low	73 Å²	73	93 Å²	93	60%	0.603	47%	0.466	S	S	*	.	H	α-helix		0	0	0	0	0	0	0	0	111.1	A710 R1212 L1213	A710-A1216 WeakPolarHBondContact CB-O 3.08Å; R1212-A1216 WeakPolarHBondContact O-CA 3.11Å; R1212-A1216 WeakPolarHBondContact O-CB 2.3Å; R1212-A1216 PolarHBondContact O-N 1.12Å; L1213-A1216 PolarHBondContact O-N 2.44Å; L1213-A1216 CarbonylContact O-C 3.27Å
1217	I	35.6	Very low	39.2	Very low	37 Å²	37	92 Å²	92	19%	0.19	46%	0.459	C	S	.	.				0	0	0	-68.4	171.8	0	0	0	108.5	Y707 A710 V711 L1213	Y707-I1217 CarbonylContact C-O 3.54Å; Y707-I1217 WeakPolarHBondContact CA-O 2.12Å; Y707-I1217 HydrophobicContact CD2-CB 4.39Å; Y707-I1217 HydrophobicContact CD2-CG2 4.02Å; Y707-I1217 WeakPolarHBondContact CD2-O 3.47Å; Y707-I1217 WeakPolarHBondContact CD2-OXT 3.18Å; Y707-I1217 HydrophobicContact CE2-CB 4.4Å; Y707-I1217 HydrophobicContact CE2-CG2 3.69Å; Y707-I1217 CarbonylContact O-C 3.37Å; A710-I1217 WeakPolarHBondContact CB-O 3.23Å; V711-I1217 HydrophobicContact CG2-CG2 4.07Å; L1213-I1217 VanDerWaalsContact C-CG1 3.43Å; L1213-I1217 HydrophobicContact CB-CD1 4.07Å; L1213-I1217 HydrophobicContact CB-CG1 4.44Å; L1213-I1217 HydrophobicContact CD2-CD1 2.82Å; L1213-I1217 HydrophobicContact CD2-CG1 3.75Å; L1213-I1217 HydrophobicContact CG-CD1 3.53Å; L1213-I1217 HydrophobicContact CG-CG1 3.9Å; L1213-I1217 WeakPolarHBondContact O-CA 2.13Å; L1213-I1217 WeakPolarHBondContact O-CB 2.41Å; L1213-I1217 WeakPolarHBondContact O-CD1 2.47Å; L1213-I1217 WeakPolarHBondContact O-CG1 3.37Å; L1213-I1217 PolarHBondContact O-N 3.33Å; L1213-I1217 VanDerWaalsContact O-OXT 3.1Å

Retrieved 1,217 of 1,217 residues in 160.4 ms (Link to these results)

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