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Ubiquitin carboxyl-terminal hydrolase

Deubiquitinating enzyme that removes conjugated ubiquitin from specific proteins to regulate different cellular processes. Ubiquitin hydrolase that can remove conjugated ubiquitin from AXIN1 and AXIN2, thereby acting as a regulator of Wnt signaling pathway. Acts as an activator of the Wnt signaling pathway downstream of the beta-catenin destruction complex by deubiquitinating and stabilizing AXIN1 and AXIN2, leading to promote nuclear accumulation of AXIN1 and AXIN2 and positively regulate beta-catenin (CTNBB1)-mediated transcription. Recognizes and hydrolyzes the peptide bond at the C-terminal Gly of ubiquitin. Involved in the processing of poly-ubiquitin precursors as well as that of ubiquitinated proteins.

AlphaFold DB , UniProt , Accession Z4YLQ1, Species MOUSE (Mus musculus, Mouse), Gene Usp34, Length 810 aa.

						>Z4YLQ1_MOUSE|Z4YLQ1|Usp34
EEPLLKPGCKEYFWLLCKLVDNIHIKDASQTTLLDLDALARHLADCIRSREILDHLDGSIEDDGLSGLLRLATSVIKHKPPFKFSREGQEFLRDIFNLLFLLPSLKDRRQPKCKSHSCRAAAYDLLVEMVKGSVENYRLIHNWVMAQHMQSHAPYKWDYWPHEDVRAECRFVGLTNLGATCYLASTIQQLYMIPEARQAVFTAKYSEDMKHKTTLLELQKMFTYLMESECKAYNPRPFCKTYTMDKQPLNTGEQKDMTEFFTDLITKVEEMSPELKNTVKSLFGGVITNNVVSLDCEHVSQTAEEFYTVRCQVADMKNIYESLDEVTIKDTLEGDNMYTCSHCGKKVRAEKRACFKKLPRILSFNTMRYTFNMVTMMKEKVNTHFSFPLRLDMTPYTEDFLMGKSDRKEGFKDVGDRSKDTESYEYDLIGVTVHTGTADGGHYYSFIRDIVNPHAYKNNKWYLFNDAEVKPFDSAQLASECFGGEMTTKTYDSVTDKFMDFSFEKTHSAYMLFYKRMEPEEENGREYKFDVSSELLEWIWHDNMQFLQDKNIFEHTYFGFMWQLCSCIPSTLPDPKAVSLMTAKLSTSFVLETFIHSKEKPTMLQWIELLTKQFNNSQAACEWFLDRMADDDWWPMQILIKCPNQIVRQMFQRLCIHVIQRLRPVHAHLYLQPGMEDGSDDMDASVEDIGGRSCVTRFVRTLLLIMEHGVKPHSKHLTEYFAFLYEFAKMGEEESQFLLSLQAISTMVHFYMGTKGPENPQVEVLSEEEGEEEEEEEDILSLAEEKYRPAALEKMIALVALLVEQSRSER
					

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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	E	33.1	Very low	54.1	Low	247 Å²	247	121.8 Å²	121.8	100%	1.154	64%	0.641	S	S	*	*				0	88.5	0	-68.3	175.9	162.2	0	0	107.9
2	E	33	Very low	57	Low	186 Å²	186	123.1 Å²	123.1	87%	0.869	63%	0.632	S	S	*	*			trans	-85.1	135	168.3	-84.5	-176	155.4	0	0	108.3	L4	E2-L4 PolarHBondContact O-N 3.37Å
3	P	43.3	Very low	59.6	Low	119 Å²	119	115.5 Å²	115.5	77%	0.773	59%	0.592	S	S	*	*			trans	-70.1	126.2	-175.5	28.5	-30.8	0	0	0	109.3	L5	P3-L5 PolarHBondContact O-N 3.31Å
4	L	41.8	Very low	61.7	Low	125 Å²	125	119 Å²	119	65%	0.654	59%	0.594	S	S	*	*			trans	-48.4	113.9	165.2	-78.1	107.9	0	0	0	109.7	E2 K6	E2-L4 PolarHBondContact O-N 3.37Å; L4-K6 VanDerWaalsContact C-N 3.26Å; L4-K6 HydrophobicContact CB-CD 3.86Å; L4-K6 HydrophobicContact CB-CG 3.96Å; L4-K6 HydrophobicContact CD2-CD 3.79Å; L4-K6 HydrophobicContact CD2-CG 4.37Å; L4-K6 HydrophobicContact CG-CD 4.44Å; L4-K6 PolarHBondContact O-N 3.18Å
5	L	44.1	Very low	63.6	Low	144 Å²	144	117.3 Å²	117.3	75%	0.754	59%	0.587	S	S	*	*			trans	-62.8	86.8	166.8	-77.9	156.3	0	0	0	109.1	P3	P3-L5 PolarHBondContact O-N 3.31Å
6	K	51.9	Low	65.2	Low	115 Å²	115	112.7 Å²	112.7	50%	0.5	57%	0.565	S	S	.	*			trans	-131.7	59.3	-177	-79.9	179.5	165.2	-179	0	109.6	L4	L4-K6 VanDerWaalsContact C-N 3.26Å; L4-K6 HydrophobicContact CB-CD 3.86Å; L4-K6 HydrophobicContact CB-CG 3.96Å; L4-K6 HydrophobicContact CD2-CD 3.79Å; L4-K6 HydrophobicContact CD2-CG 4.37Å; L4-K6 HydrophobicContact CG-CD 4.44Å; L4-K6 PolarHBondContact O-N 3.18Å
7	P	48.5	Very low	66.8	Low	118 Å²	118	106.9 Å²	106.9	77%	0.766	54%	0.537	S	S	*	.	S	Bend		-159.3	7	112.2	32.8	-9.9	0	0	0	116.7	E11	P7-E11 VanDerWaalsContact O-OE2 3.14Å
8	G	58.9	Low	68.1	Low	41 Å²	41	106.4 Å²	106.4	42%	0.423	53%	0.531	S	S	.	.	S	Bend	trans	-107.8	-2.2	-172	0	0	0	0	0	116.3	Y12	G8-Y12 WeakPolarHBondContact O-CB 3.27Å; G8-Y12 PolarHBondContact O-N 3.2Å
9	C	73.8	Confident	69.2	Low	22 Å²	22	106.4 Å²	106.4	15%	0.149	53%	0.532	C	S	.	.	H	α-helix	trans	-70.2	-40.8	-175.3	-71.5	0	0	0	0	112.4	Y12 F13 D63	C9-Y12 PolarHBondContact O-N 3.46Å; C9-F13 VanDerWaalsContact O-CD2 3.24Å; C9-F13 WeakPolarHBondContact O-CD2 3.41Å; C9-F13 PolarHBondContact O-N 3.33Å; C9-D63 HydrophobicContact CB-CB 4.33Å
10	K	81.5	Confident	70.1	Confident	105 Å²	105	101.6 Å²	101.6	46%	0.457	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-47.6	-177.6	-68.3	-170.8	-177.3	-174.8	0	111	F13 W14 E61 D63	K10-F13 PolarHBondContact O-N 3.03Å; K10-W14 VanDerWaalsContact O-CB 3.23Å; K10-W14 WeakPolarHBondContact O-CB 3.45Å; K10-W14 PolarHBondContact O-N 3.4Å; K10-E61 IonicContact NZ-OE2 3.25Å; K10-E61 PolarHBondContact NZ-OE2 2.8Å; K10-D63 WeakPolarHBondContact CE-OD1 2.92Å; K10-D63 WeakPolarHBondContact CE-OD2 3.16Å; K10-D63 HydrophobicContact CG-CB 4.29Å; K10-D63 IonicContact NZ-OD1 3.78Å; K10-D63 PolarHBondContact NZ-OD1 3.13Å; K10-D63 IonicContact NZ-OD2 2.64Å
11	E	85.6	Confident	71	Confident	118 Å²	118	99.5 Å²	99.5	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-65.7	-39.4	179.1	-65	76.5	-171.3	0	0	111.8	P7 W14 L15	P7-E11 VanDerWaalsContact O-OE2 3.14Å; E11-W14 PolarHBondContact O-N 2.78Å; E11-L15 WeakPolarHBondContact O-CB 3.25Å; E11-L15 PolarHBondContact O-N 3.01Å
12	Y	89	Confident	73.4	Confident	137 Å²	137	92.9 Å²	92.9	54%	0.537	47%	0.472	S	S	.	.	H	α-helix	trans	-59.1	-54.5	175.7	172.5	-100.2	0	0	0	111.5	G8 C9 W14 L15 L16	G8-Y12 WeakPolarHBondContact O-CB 3.27Å; G8-Y12 PolarHBondContact O-N 3.2Å; C9-Y12 PolarHBondContact O-N 3.46Å; Y12-W14 VanDerWaalsContact C-N 3.33Å; Y12-W14 PolarHBondContact O-N 2.7Å; Y12-L15 PolarHBondContact O-N 2.9Å; Y12-L16 HydrophobicContact CD1-CD1 4.03Å; Y12-L16 HydrophobicContact CE1-CD1 3.38Å; Y12-L16 HydrophobicContact CE1-CG 4.34Å; Y12-L16 HydrophobicContact CE2-CD1 4.08Å; Y12-L16 HydrophobicContact CE2-CG 4.4Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.42Å; Y12-L16 WeakPolarHBondContact O-CG 3.28Å; Y12-L16 PolarHBondContact O-N 2.68Å
13	F	90.8	Very high	75.8	Confident	25 Å²	25	86 Å²	86	11%	0.11	44%	0.44	C	S	.	.	H	α-helix	trans	-66.8	-35.7	179.4	-78.6	-70.4	0	0	0	112.2	C9 K10 L16 C17 G67 L68 L71	C9-F13 VanDerWaalsContact O-CD2 3.24Å; C9-F13 WeakPolarHBondContact O-CD2 3.41Å; C9-F13 PolarHBondContact O-N 3.33Å; K10-F13 PolarHBondContact O-N 3.03Å; F13-L16 PolarHBondContact O-N 2.78Å; F13-C17 WeakPolarHBondContact O-CB 3.4Å; F13-C17 PolarHBondContact O-N 3.24Å; F13-C17 PolarHBondContact O-SG 2.97Å; F13-G67 VanDerWaalsContact CD1-O 3.29Å; F13-G67 WeakPolarHBondContact CD1-O 3.41Å; F13-L68 HydrophobicContact CE1-CD2 3.87Å; F13-L68 HydrophobicContact CE1-CG 4.07Å; F13-L68 HydrophobicContact CZ-CD2 3.92Å; F13-L68 HydrophobicContact CZ-CG 3.83Å; F13-L71 HydrophobicContact CD1-CB 4.18Å; F13-L71 HydrophobicContact CD1-CD2 4.13Å; F13-L71 HydrophobicContact CE1-CD2 4.15Å
14	W	89.4	Confident	77	Confident	164 Å²	164	86.9 Å²	86.9	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-59.1	-48	174.1	177.6	87.9	0	0	0	111.8	K10 E11 Y12 C17 K18	K10-W14 VanDerWaalsContact O-CB 3.23Å; K10-W14 WeakPolarHBondContact O-CB 3.45Å; K10-W14 PolarHBondContact O-N 3.4Å; E11-W14 PolarHBondContact O-N 2.78Å; Y12-W14 VanDerWaalsContact C-N 3.33Å; Y12-W14 PolarHBondContact O-N 2.7Å; W14-C17 PolarHBondContact O-N 2.63Å; W14-K18 HydrophobicContact CD2-CG 4.34Å; W14-K18 HydrophobicContact CH2-CG 4.47Å; W14-K18 HydrophobicContact CZ2-CG 4.14Å; W14-K18 WeakPolarHBondContact O-CG 3.13Å; W14-K18 PolarHBondContact O-N 3.4Å
15	L	89.6	Confident	78	Confident	93 Å²	93	86.1 Å²	86.1	49%	0.487	43%	0.43	S	S	.	.	H	α-helix	trans	-61.9	-45.3	177.6	178.9	62.5	0	0	0	111.1	E11 Y12 C17 K18 L19	E11-L15 WeakPolarHBondContact O-CB 3.25Å; E11-L15 PolarHBondContact O-N 3.01Å; Y12-L15 PolarHBondContact O-N 2.9Å; L15-C17 PolarHBondContact O-N 3.09Å; L15-K18 PolarHBondContact O-N 2.88Å; L15-L19 HydrophobicContact CD1-CD1 4.5Å; L15-L19 HydrophobicContact CD1-CG 4.43Å; L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CG 3.25Å; L15-L19 PolarHBondContact O-N 2.98Å
16	L	89.4	Confident	78.2	Confident	44 Å²	44	86.4 Å²	86.4	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-60.3	-44.7	177.1	-72.5	-176.7	0	0	0	112.4	Y12 F13 K18 L19 V20 L71	Y12-L16 HydrophobicContact CD1-CD1 4.03Å; Y12-L16 HydrophobicContact CE1-CD1 3.38Å; Y12-L16 HydrophobicContact CE1-CG 4.34Å; Y12-L16 HydrophobicContact CE2-CD1 4.08Å; Y12-L16 HydrophobicContact CE2-CG 4.4Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.42Å; Y12-L16 WeakPolarHBondContact O-CG 3.28Å; Y12-L16 PolarHBondContact O-N 2.68Å; F13-L16 PolarHBondContact O-N 2.78Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 2.94Å; L16-V20 WeakPolarHBondContact O-CG2 3.33Å; L16-V20 PolarHBondContact O-N 3.5Å; L16-L71 HydrophobicContact CB-CD1 3.89Å; L16-L71 HydrophobicContact CB-CD2 4.38Å; L16-L71 HydrophobicContact CD1-CD2 3.89Å
17	C	91.8	Very high	77.8	Confident	15 Å²	15	87 Å²	87	10%	0.101	43%	0.433	C	S	.	.	H	α-helix	trans	-58.5	-44.4	176	-66.6	0	0	0	0	110.8	F13 W14 L15 L19 V20 D21	F13-C17 WeakPolarHBondContact O-CB 3.4Å; F13-C17 PolarHBondContact O-N 3.24Å; F13-C17 PolarHBondContact O-SG 2.97Å; W14-C17 PolarHBondContact O-N 2.63Å; L15-C17 PolarHBondContact O-N 3.09Å; C17-L19 PolarHBondContact O-N 3.38Å; C17-V20 PolarHBondContact O-N 3.17Å; C17-D21 VanDerWaalsContact O-CB 3.32Å; C17-D21 WeakPolarHBondContact O-CB 3.49Å; C17-D21 PolarHBondContact O-N 3.48Å
18	K	90.2	Very high	77.6	Confident	98 Å²	98	87.2 Å²	87.2	43%	0.426	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-37.9	176.6	-70.2	-61.1	-176.3	-171.3	0	113	W14 L15 L16 N22	W14-K18 HydrophobicContact CD2-CG 4.34Å; W14-K18 HydrophobicContact CH2-CG 4.47Å; W14-K18 HydrophobicContact CZ2-CG 4.14Å; W14-K18 WeakPolarHBondContact O-CG 3.13Å; W14-K18 PolarHBondContact O-N 3.4Å; L15-K18 PolarHBondContact O-N 2.88Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.43Å; K18-N22 PolarHBondContact O-N 3.37Å; K18-N22 PolarHBondContact O-ND2 3.32Å
19	L	88.4	Confident	76.9	Confident	105 Å²	105	90.3 Å²	90.3	55%	0.55	46%	0.461	S	S	.	.	H	α-helix	trans	-65.8	-46.2	175.9	-71.2	171.8	0	0	0	111	L15 L16 C17 N22	L15-L19 HydrophobicContact CD1-CD1 4.5Å; L15-L19 HydrophobicContact CD1-CG 4.43Å; L15-L19 HydrophobicContact CG-CD1 4.18Å; L15-L19 WeakPolarHBondContact O-CG 3.25Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 2.94Å; C17-L19 PolarHBondContact O-N 3.38Å; L19-N22 PolarHBondContact O-N 3.05Å
20	V	88.8	Confident	75.6	Confident	11 Å²	11	96.4 Å²	96.4	7%	0.067	49%	0.487	C	S	.	.	H	α-helix	trans	-65.2	-44.7	178.5	174.1	0	0	0	0	111.6	L16 C17 N22 I23 L71 V75 H78	L16-V20 WeakPolarHBondContact O-CG2 3.33Å; L16-V20 PolarHBondContact O-N 3.5Å; C17-V20 PolarHBondContact O-N 3.17Å; V20-N22 PolarHBondContact O-N 3Å; V20-I23 HydrophobicContact CB-CD1 4.49Å; V20-I23 HydrophobicContact CG1-CD1 4.46Å; V20-I23 WeakPolarHBondContact O-CB 2.86Å; V20-I23 WeakPolarHBondContact O-CG1 3.08Å; V20-I23 PolarHBondContact O-N 3.27Å; V20-I23 VanDerWaalsContact O-N 3.08Å; V20-L71 HydrophobicContact CG2-CD1 3.98Å; V20-V75 HydrophobicContact CG1-CG2 3.92Å; V20-V75 HydrophobicContact CG2-CG2 4.44Å; V20-H78 PolarHBondContact O-NE2 3.42Å
21	D	87.6	Confident	73.9	Confident	58 Å²	58	98.1 Å²	98.1	31%	0.31	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-29.6	179.5	-74.8	-16.1	0	0	0	112.3	C17 S74 K77	C17-D21 VanDerWaalsContact O-CB 3.32Å; C17-D21 WeakPolarHBondContact O-CB 3.49Å; C17-D21 PolarHBondContact O-N 3.48Å; D21-S74 VanDerWaalsContact OD1-CB 3.24Å; D21-S74 WeakPolarHBondContact OD1-CB 3.31Å; D21-S74 PolarHBondContact OD1-OG 3.18Å; D21-K77 IonicContact OD1-NZ 2.88Å
22	N	85.1	Confident	72.4	Confident	108 Å²	108	96.3 Å²	96.3	58%	0.578	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	3.7	179.3	-73.9	-56.7	0	0	0	114.2	K18 L19 V20 H24	K18-N22 PolarHBondContact O-N 3.37Å; K18-N22 PolarHBondContact O-ND2 3.32Å; L19-N22 PolarHBondContact O-N 3.05Å; V20-N22 PolarHBondContact O-N 3Å; N22-H24 PolarHBondContact O-N 2.89Å
23	I	82.3	Confident	70.9	Confident	40 Å²	40	98.5 Å²	98.5	21%	0.205	52%	0.523	C	S	.	.			trans	-66.4	107.1	174	-64.4	173.9	0	0	0	108.3	V20 I25 L34 L36 H78	V20-I23 HydrophobicContact CB-CD1 4.49Å; V20-I23 HydrophobicContact CG1-CD1 4.46Å; V20-I23 WeakPolarHBondContact O-CB 2.86Å; V20-I23 WeakPolarHBondContact O-CG1 3.08Å; V20-I23 PolarHBondContact O-N 3.27Å; V20-I23 VanDerWaalsContact O-N 3.08Å; I23-I25 HydrophobicContact CG2-CG1 4.4Å; I23-I25 PolarHBondContact O-N 2.85Å; I23-L34 HydrophobicContact CD1-CD2 4.26Å; I23-L36 HydrophobicContact CD1-CD2 4.08Å; I23-H78 PolarHBondContact O-CE1 2.85Å; I23-H78 VanDerWaalsContact O-CE1 3.3Å
24	H	69.5	Low	69.9	Low	139 Å²	139	101.5 Å²	101.5	64%	0.644	54%	0.54	S	S	*	.			trans	-84.1	104.4	171.8	-66.8	-50	0	0	0	109.3	N22 K26	N22-H24 PolarHBondContact O-N 2.89Å; H24-K26 HydrophobicContact CB-CG 4.34Å; H24-K26 PolarHBondContact O-N 2.83Å
25	I	61.2	Low	69.8	Low	109 Å²	109	98.4 Å²	98.4	56%	0.559	54%	0.536	S	S	*	.			trans	-72.6	78.1	166.2	-53.3	172.9	0	0	0	107.1	I23 L36 H78	I23-I25 HydrophobicContact CG2-CG1 4.4Å; I23-I25 PolarHBondContact O-N 2.85Å; I25-L36 HydrophobicContact CD1-CD1 4.43Å; I25-H78 HydrophobicContact CD1-CB 4.25Å
26	K	49.5	Very low	69.7	Low	150 Å²	150	95.1 Å²	95.1	65%	0.652	52%	0.519	S	S	*	.			trans	-102.6	115.1	170.4	-78	-176.4	178.6	179.9	0	108.1	H24	H24-K26 HydrophobicContact CB-CG 4.34Å; H24-K26 PolarHBondContact O-N 2.83Å
27	D	42.5	Very low	69.8	Low	126 Å²	126	94.4 Å²	94.4	67%	0.674	52%	0.515	S	S	*	.			trans	67.9	121.3	172.3	-61.7	-35.9	0	0	0	117.5	S29 Q30	D27-S29 PolarHBondContact O-N 2.96Å; D27-Q30 PolarHBondContact O-N 3.24Å; D27-Q30 VanDerWaalsContact O-N 3.15Å
28	A	44.2	Very low	69.9	Low	123 Å²	123	95.9 Å²	95.9	100%	1.017	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	10.8	175.6	0	0	0	0	0	115.4
29	S	44.5	Very low	70	Confident	107 Å²	107	93.3 Å²	93.3	75%	0.748	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-9.3	178.5	62.5	0	0	0	0	113.8	D27	D27-S29 PolarHBondContact O-N 2.96Å
30	Q	46.9	Very low	70.3	Confident	150 Å²	150	88.5 Å²	88.5	70%	0.701	49%	0.494	S	S	*	.	S	Bend	trans	-101.6	107.4	167.8	-72.1	-168.9	-11.3	0	0	108.7	D27 T32	D27-Q30 PolarHBondContact O-N 3.24Å; D27-Q30 VanDerWaalsContact O-N 3.15Å; Q30-T32 VanDerWaalsContact C-N 3.27Å; Q30-T32 PolarHBondContact O-N 3.4Å
31	T	45.8	Very low	70.7	Confident	140 Å²	140	91.9 Å²	91.9	86%	0.859	51%	0.506	S	S	*	.			trans	-58	92.5	166.9	39	0	0	0	0	108.8	L33	T31-L33 PolarHBondContact O-N 3.1Å; T31-L33 VanDerWaalsContact O-N 3.14Å
32	T	53.5	Low	71	Confident	81 Å²	81	94.6 Å²	94.6	50%	0.497	52%	0.517	S	S	.	.			trans	-55.2	119.3	161.5	38.9	0	0	0	0	106.7	Q30 L34	Q30-T32 VanDerWaalsContact C-N 3.27Å; Q30-T32 PolarHBondContact O-N 3.4Å; T32-L34 PolarHBondContact O-N 2.87Å
33	L	58.6	Low	71.6	Confident	182 Å²	182	89.9 Å²	89.9	95%	0.953	49%	0.491	S	S	*	.	S	Bend	trans	-61.8	-3.7	-175.3	-134.4	132.8	0	0	0	113.6	T31	T31-L33 PolarHBondContact O-N 3.1Å; T31-L33 VanDerWaalsContact O-N 3.14Å
34	L	69.4	Low	72.2	Confident	88 Å²	88	88 Å²	88	46%	0.461	48%	0.481	S	S	.	.			trans	-111.5	110.2	-174.6	-134.1	117	0	0	0	109.8	I23 T32 L36 L39	I23-L34 HydrophobicContact CD1-CD2 4.26Å; T32-L34 PolarHBondContact O-N 2.87Å; L34-L36 HydrophobicContact CD2-CD2 3.89Å; L34-L36 PolarHBondContact O-N 2.85Å; L34-L39 HydrophobicContact CD2-CD2 3.95Å
35	D	86.1	Confident	73.5	Confident	100 Å²	100	85.5 Å²	85.5	54%	0.535	47%	0.473	S	S	.	.			trans	-78.1	94.9	172.7	-174.2	-15.8	0	0	0	109.5	D37 A38 L39	D35-D37 PolarHBondContact O-N 3.44Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 WeakPolarHBondContact OD1-CB 3.25Å; D35-D37 PolarHBondContact OD1-N 2.83Å; D35-A38 HydrophobicContact CB-CB 3.94Å; D35-A38 VanDerWaalsContact CG-CB 3.46Å; D35-A38 PolarHBondContact O-N 3.12Å; D35-A38 PolarHBondContact OD1-N 3.27Å; D35-A38 WeakPolarHBondContact OD2-CB 3.4Å; D35-L39 WeakPolarHBondContact O-CB 3.26Å; D35-L39 PolarHBondContact O-N 3.31Å
36	L	88.5	Confident	75.1	Confident	24 Å²	24	82 Å²	82	13%	0.126	46%	0.458	C	S	.	.	H	α-helix	trans	-64.8	-24.6	179	-66.7	176.3	0	0	0	112.6	I23 I25 L34 A40 V75 H78	I23-L36 HydrophobicContact CD1-CD2 4.08Å; I25-L36 HydrophobicContact CD1-CD1 4.43Å; L34-L36 HydrophobicContact CD2-CD2 3.89Å; L34-L36 PolarHBondContact O-N 2.85Å; L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 2.78Å; L36-V75 HydrophobicContact CB-CG1 4.47Å; L36-V75 HydrophobicContact CD2-CG1 4.43Å; L36-H78 HydrophobicContact CD1-CB 3.69Å
37	D	92	Very high	77.3	Confident	28 Å²	28	74.9 Å²	74.9	15%	0.15	43%	0.427	C	S	.	.	H	α-helix	trans	-75.3	-45.1	178.8	-164.3	57.4	0	0	0	110.9	D35 A40 R41 P80 P81 F82	D35-D37 PolarHBondContact O-N 3.44Å; D35-D37 WeakPolarHBondContact OD1-CA 3.4Å; D35-D37 WeakPolarHBondContact OD1-CB 3.25Å; D35-D37 PolarHBondContact OD1-N 2.83Å; D37-A40 PolarHBondContact O-N 2.86Å; D37-R41 VanDerWaalsContact CG-NH1 3.32Å; D37-R41 PolarHBondContact O-N 2.95Å; D37-R41 PolarHBondContact O-NH1 3.35Å; D37-R41 IonicContact OD1-NH1 3.18Å; D37-R41 IonicContact OD1-NH2 2.76Å; D37-R41 IonicContact OD2-CZ 2.71Å; D37-R41 IonicContact OD2-NH1 3.68Å; D37-R41 PolarHBondContact OD2-NH1 3.09Å; D37-R41 IonicContact OD2-NH2 3.59Å; D37-R41 PolarHBondContact OD2-NH2 3.26Å; D37-P80 HydrophobicContact CB-CB 4.37Å; D37-P81 WeakPolarHBondContact OD1-CB 3.26Å; D37-P81 VanDerWaalsContact OD1-CD 3.28Å; D37-P81 WeakPolarHBondContact OD1-CD 3.08Å; D37-F82 VanDerWaalsContact OD1-CB 3.27Å; D37-F82 WeakPolarHBondContact OD1-CB 3.39Å; D37-F82 PolarHBondContact OD1-N 2.86Å
38	A	92.5	Very high	79.7	Confident	46 Å²	46	72.8 Å²	72.8	38%	0.38	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-40.8	171.9	0	0	0	0	0	111.9	D35 R41 H42	D35-A38 HydrophobicContact CB-CB 3.94Å; D35-A38 VanDerWaalsContact CG-CB 3.46Å; D35-A38 PolarHBondContact O-N 3.12Å; D35-A38 PolarHBondContact OD1-N 3.27Å; D35-A38 WeakPolarHBondContact OD2-CB 3.4Å; A38-R41 PolarHBondContact O-N 3.05Å; A38-H42 WeakPolarHBondContact O-CB 3.48Å; A38-H42 PolarHBondContact O-N 2.87Å
39	L	92.8	Very high	82.1	Confident	44 Å²	44	71.4 Å²	71.4	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-63.3	-41.4	176.6	-178.5	59.8	0	0	0	111.8	L34 D35 R41 H42 L43 V75	L34-L39 HydrophobicContact CD2-CD2 3.95Å; D35-L39 WeakPolarHBondContact O-CB 3.26Å; D35-L39 PolarHBondContact O-N 3.31Å; L39-R41 PolarHBondContact O-N 3.12Å; L39-H42 PolarHBondContact O-N 2.69Å; L39-L43 HydrophobicContact CD1-CD1 4.22Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CG 4.41Å; L39-L43 WeakPolarHBondContact O-CB 3.34Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.84Å; L39-V75 HydrophobicContact CD2-CG2 3.7Å; L39-V75 HydrophobicContact CG-CG2 4.14Å
40	A	94.9	Very high	84.2	Confident	4 Å²	4	69.7 Å²	69.7	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-44.2	176.6	0	0	0	0	0	112	L36 D37 L43 A44 V75 I76 P80 F82	L36-A40 WeakPolarHBondContact O-CB 3.49Å; L36-A40 PolarHBondContact O-N 2.78Å; D37-A40 PolarHBondContact O-N 2.86Å; A40-L43 PolarHBondContact O-N 2.81Å; A40-A44 PolarHBondContact O-N 2.83Å; A40-V75 HydrophobicContact CB-CG1 3.96Å; A40-I76 HydrophobicContact CB-CD1 4.24Å; A40-P80 HydrophobicContact CB-CG 4.15Å; A40-F82 HydrophobicContact CB-CB 4.12Å; A40-F82 HydrophobicContact CB-CD1 3.63Å; A40-F82 HydrophobicContact CB-CE1 4.31Å; A40-F82 HydrophobicContact CB-CG 4.03Å
41	R	96.5	Very high	86.1	Confident	82 Å²	82	69.6 Å²	69.6	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-46.3	174.4	-71.7	-170.4	-166.8	81.1	3.4	112.2	D37 A38 L39 L43 A44 D45 F82 E87	D37-R41 VanDerWaalsContact CG-NH1 3.32Å; D37-R41 PolarHBondContact O-N 2.95Å; D37-R41 PolarHBondContact O-NH1 3.35Å; D37-R41 IonicContact OD1-NH1 3.18Å; D37-R41 IonicContact OD1-NH2 2.76Å; D37-R41 IonicContact OD2-CZ 2.71Å; D37-R41 IonicContact OD2-NH1 3.68Å; D37-R41 PolarHBondContact OD2-NH1 3.09Å; D37-R41 IonicContact OD2-NH2 3.59Å; D37-R41 PolarHBondContact OD2-NH2 3.26Å; A38-R41 PolarHBondContact O-N 3.05Å; L39-R41 PolarHBondContact O-N 3.12Å; R41-L43 VanDerWaalsContact C-N 3.34Å; R41-L43 PolarHBondContact O-N 2.84Å; R41-A44 WeakPolarHBondContact O-CB 3.3Å; R41-A44 PolarHBondContact O-N 2.89Å; R41-D45 PolarHBondContact O-N 2.64Å; R41-F82 HydrophobicContact CG-CD2 3.45Å; R41-F82 VanDerWaalsContact CG-CD2 3.45Å; R41-F82 HydrophobicContact CG-CE2 3.75Å; R41-F82 HydrophobicContact CG-CG 4.21Å; R41-E87 IonicContact CZ-OE2 3.92Å; R41-E87 IonicContact NE-OE2 3.29Å; R41-E87 PolarHBondContact NE-OE2 3.22Å
42	H	95.8	Very high	88	Confident	116 Å²	116	64.7 Å²	64.7	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-44.2	179.7	-177	59.6	0	0	0	112	A38 L39 A44 D45 C46	A38-H42 WeakPolarHBondContact O-CB 3.48Å; A38-H42 PolarHBondContact O-N 2.87Å; L39-H42 PolarHBondContact O-N 2.69Å; H42-A44 VanDerWaalsContact C-N 3.34Å; H42-A44 PolarHBondContact O-N 2.97Å; H42-D45 PolarHBondContact O-N 2.84Å; H42-C46 PolarHBondContact O-N 3.2Å; H42-C46 PolarHBondContact O-SG 2.91Å; H42-C46 VanDerWaalsContact O-SG 3.32Å
43	L	95.9	Very high	89.4	Confident	8 Å²	8	64.2 Å²	64.2	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-40.4	176.7	-70.2	171.4	0	0	0	111.9	L39 A40 R41 D45 C46 I47 L68 L71 A72 V75	L39-L43 HydrophobicContact CD1-CD1 4.22Å; L39-L43 HydrophobicContact CD1-CG 4.15Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CG 4.41Å; L39-L43 WeakPolarHBondContact O-CB 3.34Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.84Å; A40-L43 PolarHBondContact O-N 2.81Å; R41-L43 VanDerWaalsContact C-N 3.34Å; R41-L43 PolarHBondContact O-N 2.84Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 3.31Å; L43-C46 PolarHBondContact O-N 2.82Å; L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 WeakPolarHBondContact O-CD1 3.23Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.37Å; L43-L68 HydrophobicContact CD2-CD2 3.91Å; L43-L71 HydrophobicContact CD1-CD2 4.35Å; L43-L71 HydrophobicContact CD1-CG 4Å; L43-L71 HydrophobicContact CD2-CD2 3.89Å; L43-L71 HydrophobicContact CD2-CG 4.32Å; L43-A72 HydrophobicContact CB-CB 4.4Å; L43-A72 HydrophobicContact CD1-CB 4.33Å; L43-V75 HydrophobicContact CD1-CB 4.45Å; L43-V75 HydrophobicContact CD1-CG2 3.89Å
44	A	96.7	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-44.5	175.4	0	0	0	0	0	111.7	A40 R41 H42 I47 R48 F82 F91	A40-A44 PolarHBondContact O-N 2.83Å; R41-A44 WeakPolarHBondContact O-CB 3.3Å; R41-A44 PolarHBondContact O-N 2.89Å; H42-A44 VanDerWaalsContact C-N 3.34Å; H42-A44 PolarHBondContact O-N 2.97Å; A44-I47 PolarHBondContact O-N 3.12Å; A44-R48 VanDerWaalsContact O-CG 3.28Å; A44-R48 WeakPolarHBondContact O-CG 3.39Å; A44-R48 PolarHBondContact O-N 3.32Å; A44-F82 HydrophobicContact CB-CE1 4.33Å; A44-F82 HydrophobicContact CB-CZ 3.77Å; A44-F91 VanDerWaalsContact CA-CE2 3.45Å; A44-F91 HydrophobicContact CB-CB 4.36Å; A44-F91 HydrophobicContact CB-CD1 4.01Å; A44-F91 HydrophobicContact CB-CD2 3.45Å; A44-F91 VanDerWaalsContact CB-CD2 3.45Å; A44-F91 HydrophobicContact CB-CE1 4.13Å; A44-F91 HydrophobicContact CB-CE2 3.62Å; A44-F91 HydrophobicContact CB-CG 3.67Å; A44-F91 HydrophobicContact CB-CZ 3.96Å
45	D	95.7	Very high	90.1	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-67	-42.3	178	-66.6	-22	0	0	0	112.2	R41 H42 L43 I47 R48 S49	R41-D45 PolarHBondContact O-N 2.64Å; H42-D45 PolarHBondContact O-N 2.84Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 3.31Å; D45-I47 VanDerWaalsContact C-N 3.32Å; D45-I47 PolarHBondContact O-N 3.1Å; D45-R48 PolarHBondContact O-N 3.04Å; D45-R48 IonicContact OD1-NH1 3.37Å; D45-R48 PolarHBondContact OD1-NH1 3.38Å; D45-R48 VanDerWaalsContact OD1-NH1 3.14Å; D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.79Å; D45-S49 PolarHBondContact O-OG 2.8Å; D45-S49 VanDerWaalsContact O-OG 3.14Å
46	C	95.3	Very high	88.8	Confident	36 Å²	36	54.9 Å²	54.9	24%	0.243	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-41.4	175	-70.9	0	0	0	0	112.5	H42 L43 S49 R50 L68	H42-C46 PolarHBondContact O-N 3.2Å; H42-C46 PolarHBondContact O-SG 2.91Å; H42-C46 VanDerWaalsContact O-SG 3.32Å; L43-C46 PolarHBondContact O-N 2.82Å; C46-S49 PolarHBondContact O-OG 3.02Å; C46-R50 WeakPolarHBondContact O-CB 3.31Å; C46-R50 PolarHBondContact O-N 3.06Å; C46-R50 VanDerWaalsContact O-N 3.12Å; C46-L68 HydrophobicContact CB-CD1 4.39Å; C46-L68 HydrophobicContact CB-CD2 4.33Å
47	I	95.4	Very high	87.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-40.7	178.6	-70	163.3	0	0	0	110.7	L43 A44 D45 L65 L68 L69 A72 F91 L98 K112	L43-I47 WeakPolarHBondContact O-CB 3.37Å; L43-I47 WeakPolarHBondContact O-CD1 3.23Å; L43-I47 VanDerWaalsContact O-CG1 3.27Å; L43-I47 WeakPolarHBondContact O-CG1 3.48Å; L43-I47 PolarHBondContact O-N 3.37Å; A44-I47 PolarHBondContact O-N 3.12Å; D45-I47 VanDerWaalsContact C-N 3.32Å; D45-I47 PolarHBondContact O-N 3.1Å; I47-L65 HydrophobicContact CG2-CD1 4.2Å; I47-L68 HydrophobicContact CD1-CB 4.22Å; I47-L68 HydrophobicContact CG1-CB 3.79Å; I47-L68 HydrophobicContact CG1-CD1 4.4Å; I47-L69 HydrophobicContact CD1-CD2 4.14Å; I47-L69 HydrophobicContact CG2-CD2 4.32Å; I47-A72 HydrophobicContact CD1-CB 4.11Å; I47-F91 HydrophobicContact CB-CE2 4.32Å; I47-F91 HydrophobicContact CD1-CE2 4.28Å; I47-F91 HydrophobicContact CD1-CZ 3.8Å; I47-F91 HydrophobicContact CG2-CE2 4.31Å; I47-L98 HydrophobicContact CG2-CD1 3.47Å; I47-L98 VanDerWaalsContact CG2-CD1 3.47Å; I47-K112 PolarHBondContact O-NZ 3.19Å
48	R	93.8	Very high	85.4	Confident	81 Å²	81	59.1 Å²	59.1	31%	0.306	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-47	176.5	-74.3	167.9	179.2	146.6	-2.5	112.4	A44 D45 R50 D94 K112	A44-R48 VanDerWaalsContact O-CG 3.28Å; A44-R48 WeakPolarHBondContact O-CG 3.39Å; A44-R48 PolarHBondContact O-N 3.32Å; D45-R48 PolarHBondContact O-N 3.04Å; D45-R48 IonicContact OD1-NH1 3.37Å; D45-R48 PolarHBondContact OD1-NH1 3.38Å; D45-R48 VanDerWaalsContact OD1-NH1 3.14Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.14Å; R48-D94 IonicContact CZ-OD2 3.8Å; R48-D94 IonicContact NE-OD2 2.82Å; R48-D94 PolarHBondContact NE-OD2 2.92Å; R48-D94 IonicContact NH2-OD2 3.51Å; R48-D94 PolarHBondContact NH2-OD2 2.7Å; R48-K112 PolarHBondContact O-NZ 3.14Å
49	S	92.8	Very high	83.6	Confident	94 Å²	94	61.3 Å²	61.3	66%	0.657	33%	0.329	S	S	*	.	H	α-helix	trans	-78.3	-15.6	-175	70.1	0	0	0	0	113.8	D45 C46 E51	D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.79Å; D45-S49 PolarHBondContact O-OG 2.8Å; D45-S49 VanDerWaalsContact O-OG 3.14Å; C46-S49 PolarHBondContact O-OG 3.02Å; S49-E51 PolarHBondContact O-N 2.96Å
50	R	89.6	Confident	82.4	Confident	71 Å²	71	62.1 Å²	62.1	27%	0.268	33%	0.333	S	S	.	.			trans	-62.9	131.6	-179.7	-170.9	173.1	-175.4	77.6	2.2	111.4	C46 R48 D62 K112	C46-R50 WeakPolarHBondContact O-CB 3.31Å; C46-R50 PolarHBondContact O-N 3.06Å; C46-R50 VanDerWaalsContact O-N 3.12Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 3.14Å; R50-D62 IonicContact CZ-OD1 3.79Å; R50-D62 VanDerWaalsContact CZ-OD1 3.25Å; R50-D62 IonicContact CZ-OD2 3.73Å; R50-D62 IonicContact NE-OD1 3.19Å; R50-D62 PolarHBondContact NE-OD1 2.83Å; R50-D62 VanDerWaalsContact NE-OD1 3.1Å; R50-D62 IonicContact NE-OD2 2.9Å; R50-D62 PolarHBondContact NE-OD2 2.78Å; R50-D62 IonicContact NH2-OD1 2.64Å; R50-D62 PolarHBondContact NH2-OD1 3.32Å; R50-D62 IonicContact NH2-OD2 3.15Å; R50-D62 PolarHBondContact NH2-OD2 3.09Å; R50-K112 PolarHBondContact O-NZ 3.16Å
51	E	87.6	Confident	81.7	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	35%	0.35	S	S	*	.			trans	-64.7	159.9	174.2	-61.5	-175	165.5	0	0	111.6	S49 L53	S49-E51 PolarHBondContact O-N 2.96Å; E51-L53 HydrophobicContact CB-CD2 4.23Å; E51-L53 HydrophobicContact CB-CG 4.41Å; E51-L53 PolarHBondContact O-N 3.03Å; E51-L53 VanDerWaalsContact O-N 3.15Å
52	I	85.4	Confident	81.2	Confident	37 Å²	37	62.3 Å²	62.3	19%	0.19	34%	0.337	C	S	.	.			trans	-80	99.4	175.4	-53.7	-176	0	0	0	108.2	R109 K112	I52-R109 HydrophobicContact CD1-CB 3.99Å; I52-K112 HydrophobicContact CD1-CG 4.08Å; I52-K112 HydrophobicContact CG1-CB 4.46Å; I52-K112 HydrophobicContact CG1-CD 4.07Å; I52-K112 HydrophobicContact CG1-CG 3.83Å
53	L	82.8	Confident	80.7	Confident	70 Å²	70	58.7 Å²	58.7	37%	0.366	32%	0.322	S	S	.	.			trans	-106.4	-8.6	178.4	-55.2	177.6	0	0	0	112.8	E51 H55 D62	E51-L53 HydrophobicContact CB-CD2 4.23Å; E51-L53 HydrophobicContact CB-CG 4.41Å; E51-L53 PolarHBondContact O-N 3.03Å; E51-L53 VanDerWaalsContact O-N 3.15Å; L53-H55 PolarHBondContact O-CD2 2.9Å; L53-D62 HydrophobicContact CB-CB 4.4Å
54	D	72.2	Confident	80.4	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.011	32%	0.324	C	S	.	.			trans	-78	121.2	175.9	-153.5	-4.5	0	0	0	108.9	D62 K112 K114 S115 C118	D54-D62 HydrophobicContact CB-CB 3.98Å; D54-K112 WeakPolarHBondContact CB-O 3.4Å; D54-K114 HydrophobicContact CB-CB 4.38Å; D54-K114 WeakPolarHBondContact O-CD 3.44Å; D54-K114 PolarHBondContact O-NZ 3.1Å; D54-K114 PolarHBondContact OD2-N 2.92Å; D54-S115 WeakPolarHBondContact OD1-CB 3.47Å; D54-S115 PolarHBondContact OD1-OG 3.46Å; D54-S115 WeakPolarHBondContact OD2-CB 3.4Å; D54-S115 PolarHBondContact OD2-N 3.11Å; D54-S115 PolarHBondContact OD2-OG 2.96Å; D54-C118 PolarHBondContact OD2-SG 3.15Å
55	H	69.4	Low	80.2	Confident	93 Å²	93	58.8 Å²	58.8	43%	0.431	33%	0.325	S	S	.	.			trans	-105.5	143.7	-176.1	-71.7	-83.1	0	0	0	111.3	L53 D57 I60	L53-H55 PolarHBondContact O-CD2 2.9Å; H55-D57 PolarHBondContact O-N 3.01Å; H55-I60 PolarHBondContact N-O 3.4Å
56	L	60.2	Low	80	Confident	80 Å²	80	55 Å²	55	42%	0.419	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.4	-178.1	-88.7	143.1	0	0	0	113.2	G58 K114	L56-G58 PolarHBondContact O-N 3.31Å; L56-G58 VanDerWaalsContact O-N 3.11Å; L56-K114 HydrophobicContact CD1-CD 4.42Å; L56-K114 HydrophobicContact CG-CD 4.02Å; L56-K114 HydrophobicContact CG-CG 4.43Å
57	D	55.6	Low	79.9	Confident	78 Å²	78	53.4 Å²	53.4	42%	0.417	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	10.9	-172.3	-53	-23.1	0	0	0	113.6	H55 S59	H55-D57 PolarHBondContact O-N 3.01Å; D57-S59 PolarHBondContact O-N 3.35Å
58	G	52.3	Low	79.9	Confident	63 Å²	63	54.3 Å²	54.3	65%	0.649	30%	0.3	S	S	*	.	S	Bend	trans	64.8	-6	177.3	0	0	0	0	0	116	L56 I60	L56-G58 PolarHBondContact O-N 3.31Å; L56-G58 VanDerWaalsContact O-N 3.11Å; G58-I60 PolarHBondContact O-N 3.4Å
59	S	55.2	Low	80	Confident	92 Å²	92	50.5 Å²	50.5	64%	0.643	29%	0.285	S	S	*	.	S	Bend	trans	-77.8	-19.4	-174.1	60.9	0	0	0	0	114	D57	D57-S59 PolarHBondContact O-N 3.35Å
60	I	67.2	Low	80.2	Confident	60 Å²	60	51.2 Å²	51.2	31%	0.308	27%	0.273	S	S	.	.			trans	-143.4	104.9	-179.5	-54	178.3	0	0	0	109.3	H55 G58	H55-I60 PolarHBondContact N-O 3.4Å; G58-I60 PolarHBondContact O-N 3.4Å
61	E	79.8	Confident	80.5	Confident	83 Å²	83	48.4 Å²	48.4	39%	0.388	26%	0.264	S	S	.	.			trans	-80.8	143.3	168.5	-60.5	-172.7	147.5	0	0	110.7	K10 D63	K10-E61 IonicContact NZ-OE2 3.25Å; K10-E61 PolarHBondContact NZ-OE2 2.8Å; E61-D63 PolarHBondContact O-N 3.11Å; E61-D63 VanDerWaalsContact O-N 3.13Å
62	D	85.9	Confident	81	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.037	23%	0.232	C	C	.	.			trans	-84.7	78.5	170.8	-168.9	-12.2	0	0	0	111.8	R50 L53 D54 G64 L65 S66 C118	R50-D62 IonicContact CZ-OD1 3.79Å; R50-D62 VanDerWaalsContact CZ-OD1 3.25Å; R50-D62 IonicContact CZ-OD2 3.73Å; R50-D62 IonicContact NE-OD1 3.19Å; R50-D62 PolarHBondContact NE-OD1 2.83Å; R50-D62 VanDerWaalsContact NE-OD1 3.1Å; R50-D62 IonicContact NE-OD2 2.9Å; R50-D62 PolarHBondContact NE-OD2 2.78Å; R50-D62 IonicContact NH2-OD1 2.64Å; R50-D62 PolarHBondContact NH2-OD1 3.32Å; R50-D62 IonicContact NH2-OD2 3.15Å; R50-D62 PolarHBondContact NH2-OD2 3.09Å; L53-D62 HydrophobicContact CB-CB 4.4Å; D54-D62 HydrophobicContact CB-CB 3.98Å; D62-G64 PolarHBondContact O-N 3.47Å; D62-G64 VanDerWaalsContact O-N 3.16Å; D62-G64 PolarHBondContact OD1-N 3.48Å; D62-G64 VanDerWaalsContact OD1-N 3.14Å; D62-L65 HydrophobicContact CB-CB 4Å; D62-L65 VanDerWaalsContact CG-CB 3.42Å; D62-L65 PolarHBondContact O-N 3.06Å; D62-L65 VanDerWaalsContact O-N 3.14Å; D62-L65 PolarHBondContact OD1-N 2.98Å; D62-L65 WeakPolarHBondContact OD2-CB 3.31Å; D62-S66 PolarHBondContact O-N 2.97Å; D62-C118 PolarHBondContact O-SG 3.36Å
63	D	86.7	Confident	81.5	Confident	41 Å²	41	40.3 Å²	40.3	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-29.9	177.2	-69.9	-20.6	0	0	0	113.4	C9 K10 E61 G67	C9-D63 HydrophobicContact CB-CB 4.33Å; K10-D63 WeakPolarHBondContact CE-OD1 2.92Å; K10-D63 WeakPolarHBondContact CE-OD2 3.16Å; K10-D63 HydrophobicContact CG-CB 4.29Å; K10-D63 IonicContact NZ-OD1 3.78Å; K10-D63 PolarHBondContact NZ-OD1 3.13Å; K10-D63 IonicContact NZ-OD2 2.64Å; E61-D63 PolarHBondContact O-N 3.11Å; E61-D63 VanDerWaalsContact O-N 3.13Å; D63-G67 PolarHBondContact O-N 3.1Å
64	G	89.1	Confident	82.2	Confident	9 Å²	9	37.2 Å²	37.2	9%	0.093	21%	0.211	C	C	.	.	H	α-helix	trans	-70.4	-44.6	177.7	0	0	0	0	0	111.9	D62 G67 L68	D62-G64 PolarHBondContact O-N 3.47Å; D62-G64 VanDerWaalsContact O-N 3.16Å; D62-G64 PolarHBondContact OD1-N 3.48Å; D62-G64 VanDerWaalsContact OD1-N 3.14Å; G64-G67 PolarHBondContact O-N 3.06Å; G64-L68 WeakPolarHBondContact O-CB 3.42Å; G64-L68 VanDerWaalsContact O-CG 3.28Å; G64-L68 WeakPolarHBondContact O-CG 3.33Å; G64-L68 PolarHBondContact O-N 3.15Å
65	L	91.9	Very high	83.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-48.1	175.5	-179.9	58.4	0	0	0	111.1	I47 D62 G67 L68 L69 K112	I47-L65 HydrophobicContact CG2-CD1 4.2Å; D62-L65 HydrophobicContact CB-CB 4Å; D62-L65 VanDerWaalsContact CG-CB 3.42Å; D62-L65 PolarHBondContact O-N 3.06Å; D62-L65 VanDerWaalsContact O-N 3.14Å; D62-L65 PolarHBondContact OD1-N 2.98Å; D62-L65 WeakPolarHBondContact OD2-CB 3.31Å; L65-G67 VanDerWaalsContact C-N 3.28Å; L65-G67 PolarHBondContact O-N 3.2Å; L65-L68 PolarHBondContact O-N 2.83Å; L65-L69 HydrophobicContact CD1-CD1 4.16Å; L65-L69 HydrophobicContact CD1-CG 4.2Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 HydrophobicContact CG-CG 4.48Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.1Å; L65-L69 PolarHBondContact O-N 3.33Å; L65-K112 HydrophobicContact CD2-CB 4.22Å
66	S	91.8	Very high	84.5	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-43.4	176.6	-173.8	0	0	0	0	111.4	D62 L69 R70 S117	D62-S66 PolarHBondContact O-N 2.97Å; S66-L69 PolarHBondContact O-N 3.31Å; S66-R70 VanDerWaalsContact O-CG 3.26Å; S66-R70 WeakPolarHBondContact O-CG 3.34Å; S66-R70 PolarHBondContact O-N 3.16Å; S66-R70 PolarHBondContact OG-NE 2.92Å; S66-S117 PolarHBondContact OG-O 2.87Å; S66-S117 PolarHBondContact OG-OG 2.84Å; S66-S117 VanDerWaalsContact OG-OG 3.12Å
67	G	93	Very high	86.1	Confident	4 Å²	4	33.4 Å²	33.4	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.9	0	0	0	0	0	114	F13 D63 G64 L65 R70 L71	F13-G67 VanDerWaalsContact CD1-O 3.29Å; F13-G67 WeakPolarHBondContact CD1-O 3.41Å; D63-G67 PolarHBondContact O-N 3.1Å; G64-G67 PolarHBondContact O-N 3.06Å; L65-G67 VanDerWaalsContact C-N 3.28Å; L65-G67 PolarHBondContact O-N 3.2Å; G67-R70 PolarHBondContact O-N 2.91Å; G67-L71 WeakPolarHBondContact O-CB 3.24Å; G67-L71 PolarHBondContact O-N 3.18Å
68	L	95.2	Very high	87.9	Confident	20 Å²	20	31.8 Å²	31.8	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-43.9	176.2	-74.4	168.2	0	0	0	112.1	F13 L43 C46 I47 G64 L65 L71 A72	F13-L68 HydrophobicContact CE1-CD2 3.87Å; F13-L68 HydrophobicContact CE1-CG 4.07Å; F13-L68 HydrophobicContact CZ-CD2 3.92Å; F13-L68 HydrophobicContact CZ-CG 3.83Å; L43-L68 HydrophobicContact CD2-CD2 3.91Å; C46-L68 HydrophobicContact CB-CD1 4.39Å; C46-L68 HydrophobicContact CB-CD2 4.33Å; I47-L68 HydrophobicContact CD1-CB 4.22Å; I47-L68 HydrophobicContact CG1-CB 3.79Å; I47-L68 HydrophobicContact CG1-CD1 4.4Å; G64-L68 WeakPolarHBondContact O-CB 3.42Å; G64-L68 VanDerWaalsContact O-CG 3.28Å; G64-L68 WeakPolarHBondContact O-CG 3.33Å; G64-L68 PolarHBondContact O-N 3.15Å; L65-L68 PolarHBondContact O-N 2.83Å; L68-L71 PolarHBondContact O-N 3.22Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.1Å
69	L	96.8	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-44	177.7	-69.8	166.3	0	0	0	111.6	I47 L65 S66 A72 T73 L98 A121 A122 L125	I47-L69 HydrophobicContact CD1-CD2 4.14Å; I47-L69 HydrophobicContact CG2-CD2 4.32Å; L65-L69 HydrophobicContact CD1-CD1 4.16Å; L65-L69 HydrophobicContact CD1-CG 4.2Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 HydrophobicContact CG-CG 4.48Å; L65-L69 VanDerWaalsContact O-CG 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.1Å; L65-L69 PolarHBondContact O-N 3.33Å; S66-L69 PolarHBondContact O-N 3.31Å; L69-A72 PolarHBondContact O-N 3.31Å; L69-T73 PolarHBondContact O-N 2.77Å; L69-T73 PolarHBondContact O-OG1 3.27Å; L69-L98 HydrophobicContact CD2-CD1 4.13Å; L69-A121 HydrophobicContact CB-CB 3.84Å; L69-A121 HydrophobicContact CD1-CB 4.23Å; L69-A122 HydrophobicContact CD1-CB 4.04Å; L69-A122 HydrophobicContact CD2-CB 4.45Å; L69-L125 HydrophobicContact CD2-CD2 3.71Å
70	R	96.6	Very high	91.6	Very high	109 Å²	109	31 Å²	31	41%	0.411	15%	0.147	S	C	.	.	H	α-helix	trans	-63.9	-43.3	176.2	-71	170.6	-173.5	-92.5	1.3	111.8	S66 G67 T73 S74 A121	S66-R70 VanDerWaalsContact O-CG 3.26Å; S66-R70 WeakPolarHBondContact O-CG 3.34Å; S66-R70 PolarHBondContact O-N 3.16Å; S66-R70 PolarHBondContact OG-NE 2.92Å; G67-R70 PolarHBondContact O-N 2.91Å; R70-T73 VanDerWaalsContact O-CB 3.3Å; R70-T73 WeakPolarHBondContact O-CB 3.26Å; R70-T73 PolarHBondContact O-N 3.21Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-A121 HydrophobicContact CG-CB 3.89Å
71	L	96	Very high	92.9	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-44.2	177.6	-178.2	59.1	0	0	0	111.6	F13 L16 V20 L43 G67 L68 T73 S74 V75	F13-L71 HydrophobicContact CD1-CB 4.18Å; F13-L71 HydrophobicContact CD1-CD2 4.13Å; F13-L71 HydrophobicContact CE1-CD2 4.15Å; L16-L71 HydrophobicContact CB-CD1 3.89Å; L16-L71 HydrophobicContact CB-CD2 4.38Å; L16-L71 HydrophobicContact CD1-CD2 3.89Å; V20-L71 HydrophobicContact CG2-CD1 3.98Å; L43-L71 HydrophobicContact CD1-CD2 4.35Å; L43-L71 HydrophobicContact CD1-CG 4Å; L43-L71 HydrophobicContact CD2-CD2 3.89Å; L43-L71 HydrophobicContact CD2-CG 4.32Å; G67-L71 WeakPolarHBondContact O-CB 3.24Å; G67-L71 PolarHBondContact O-N 3.18Å; L68-L71 PolarHBondContact O-N 3.22Å; L71-T73 PolarHBondContact O-N 2.82Å; L71-S74 PolarHBondContact O-N 3.01Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.89Å
72	A	97.2	Very high	93.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-56.9	-41.6	172.9	0	0	0	0	0	110.7	L43 I47 L68 L69 S74 V75 I76 L125	L43-A72 HydrophobicContact CB-CB 4.4Å; L43-A72 HydrophobicContact CD1-CB 4.33Å; I47-A72 HydrophobicContact CD1-CB 4.11Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.1Å; L69-A72 PolarHBondContact O-N 3.31Å; A72-S74 PolarHBondContact O-N 2.95Å; A72-V75 PolarHBondContact O-N 3.3Å; A72-I76 WeakPolarHBondContact O-CB 3.49Å; A72-I76 VanDerWaalsContact O-CG1 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.39Å; A72-I76 PolarHBondContact O-N 2.84Å; A72-L125 HydrophobicContact CB-CD1 3.97Å; A72-L125 HydrophobicContact CB-CD2 3.93Å
73	T	97.7	Very high	94.2	Very high	13 Å²	13	28.2 Å²	28.2	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-49	176.4	-54.9	0	0	0	0	110.9	L69 R70 L71 V75 I76 K77 D124 L125 E128	L69-T73 PolarHBondContact O-N 2.77Å; L69-T73 PolarHBondContact O-OG1 3.27Å; R70-T73 VanDerWaalsContact O-CB 3.3Å; R70-T73 WeakPolarHBondContact O-CB 3.26Å; R70-T73 PolarHBondContact O-N 3.21Å; L71-T73 PolarHBondContact O-N 2.82Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.36Å; T73-I76 PolarHBondContact O-N 2.78Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 2.86Å; T73-K77 VanDerWaalsContact O-N 3.12Å; T73-D124 HydrophobicContact CG2-CB 4.4Å; T73-L125 WeakPolarHBondContact OG1-CA 3.34Å; T73-L125 WeakPolarHBondContact OG1-CB 3.3Å; T73-L125 PolarHBondContact OG1-N 3.28Å; T73-E128 HydrophobicContact CG2-CB 3.88Å; T73-E128 HydrophobicContact CG2-CG 4.14Å
74	S	95.9	Very high	94.6	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.028	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-37.3	176.3	-81.7	0	0	0	0	113.4	D21 R70 L71 A72 H78	D21-S74 VanDerWaalsContact OD1-CB 3.24Å; D21-S74 WeakPolarHBondContact OD1-CB 3.31Å; D21-S74 PolarHBondContact OD1-OG 3.18Å; R70-S74 PolarHBondContact O-N 3.3Å; L71-S74 PolarHBondContact O-N 3.01Å; A72-S74 PolarHBondContact O-N 2.95Å; S74-H78 PolarHBondContact O-CD2 3.01Å
75	V	95.1	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.3	-45.7	175.8	174.2	0	0	0	0	111.4	V20 L36 L39 A40 L43 L71 A72 T73 K77 H78	V20-V75 HydrophobicContact CG1-CG2 3.92Å; V20-V75 HydrophobicContact CG2-CG2 4.44Å; L36-V75 HydrophobicContact CB-CG1 4.47Å; L36-V75 HydrophobicContact CD2-CG1 4.43Å; L39-V75 HydrophobicContact CD2-CG2 3.7Å; L39-V75 HydrophobicContact CG-CG2 4.14Å; A40-V75 HydrophobicContact CB-CG1 3.96Å; L43-V75 HydrophobicContact CD1-CB 4.45Å; L43-V75 HydrophobicContact CD1-CG2 3.89Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.89Å; A72-V75 PolarHBondContact O-N 3.3Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 3.36Å; V75-K77 VanDerWaalsContact C-N 3.26Å; V75-K77 PolarHBondContact O-N 2.8Å; V75-H78 WeakPolarHBondContact O-CB 3.16Å; V75-H78 PolarHBondContact O-N 3.46Å; V75-H78 VanDerWaalsContact O-N 3.14Å
76	I	96	Very high	95.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-26.8	-177.7	-65.1	-62.1	0	0	0	112.5	A40 A72 T73 H78 K79 P80 F82 K83 L125 E128 M129	A40-I76 HydrophobicContact CB-CD1 4.24Å; A72-I76 WeakPolarHBondContact O-CB 3.49Å; A72-I76 VanDerWaalsContact O-CG1 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.39Å; A72-I76 PolarHBondContact O-N 2.84Å; T73-I76 PolarHBondContact O-N 2.78Å; I76-H78 PolarHBondContact O-N 2.84Å; I76-H78 VanDerWaalsContact O-N 3.16Å; I76-K79 PolarHBondContact O-N 2.82Å; I76-P80 HydrophobicContact CD1-CG 4.01Å; I76-F82 HydrophobicContact CD1-CD1 4.07Å; I76-K83 HydrophobicContact CD1-CB 4.46Å; I76-K83 HydrophobicContact CG2-CD 3.79Å; I76-K83 HydrophobicContact CG2-CG 4.06Å; I76-L125 HydrophobicContact CG1-CD1 4.25Å; I76-E128 HydrophobicContact CB-CG 4.29Å; I76-E128 HydrophobicContact CG2-CG 4Å; I76-M129 HydrophobicContact CB-SD 4.34Å; I76-M129 HydrophobicContact CD1-SD 3.65Å; I76-M129 HydrophobicContact CG1-SD 3.72Å; I76-M129 HydrophobicContact CG2-CG 4.27Å; I76-M129 HydrophobicContact CG2-SD 3.65Å
77	K	94.2	Very high	95.4	Very high	93 Å²	93	45 Å²	45	40%	0.404	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.1	172.2	-75.8	173.9	-169	166.3	0	113.3	D21 T73 V75 K79 E128	D21-K77 IonicContact OD1-NZ 2.88Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 2.86Å; T73-K77 VanDerWaalsContact O-N 3.12Å; V75-K77 VanDerWaalsContact C-N 3.26Å; V75-K77 PolarHBondContact O-N 2.8Å; K77-K79 PolarHBondContact O-N 2.83Å; K77-E128 VanDerWaalsContact CG-CD 3.44Å; K77-E128 HydrophobicContact CG-CG 3.75Å
78	H	92.2	Very high	95.6	Very high	43 Å²	43	44.8 Å²	44.8	20%	0.199	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.3	177.7	-67.6	-75.7	0	0	0	114	V20 I23 I25 L36 S74 V75 I76	V20-H78 PolarHBondContact O-NE2 3.42Å; I23-H78 PolarHBondContact O-CE1 2.85Å; I23-H78 VanDerWaalsContact O-CE1 3.3Å; I25-H78 HydrophobicContact CD1-CB 4.25Å; L36-H78 HydrophobicContact CD1-CB 3.69Å; S74-H78 PolarHBondContact O-CD2 3.01Å; V75-H78 WeakPolarHBondContact O-CB 3.16Å; V75-H78 PolarHBondContact O-N 3.46Å; V75-H78 VanDerWaalsContact O-N 3.14Å; I76-H78 PolarHBondContact O-N 2.84Å; I76-H78 VanDerWaalsContact O-N 3.16Å
79	K	92.7	Very high	95.7	Very high	132 Å²	132	46.5 Å²	46.5	57%	0.574	21%	0.214	S	C	*	.			trans	55.4	51.2	176.5	-55.2	179.1	-177.5	179.7	0	113.7	I76 K77 F84	I76-K79 PolarHBondContact O-N 2.82Å; K77-K79 PolarHBondContact O-N 2.83Å; K79-F84 HydrophobicContact CB-CE2 4.09Å; K79-F84 HydrophobicContact CB-CZ 4.38Å
80	P	93	Very high	95.8	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.045	23%	0.231	C	C	.	.			trans	-60	150.3	174.4	28.4	-34.8	0	0	0	110.8	D37 A40 I76 F82 K83	D37-P80 HydrophobicContact CB-CB 4.37Å; A40-P80 HydrophobicContact CB-CG 4.15Å; I76-P80 HydrophobicContact CD1-CG 4.01Å; P80-F82 PolarHBondContact O-N 2.63Å; P80-K83 VanDerWaalsContact O-CB 3.29Å; P80-K83 WeakPolarHBondContact O-CB 3.38Å; P80-K83 PolarHBondContact O-N 2.9Å
81	P	94.3	Very high	95.8	Very high	89 Å²	89	45 Å²	45	58%	0.578	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-47.9	-35.8	176.6	-29	34	0	0	0	114.4	D37 K83 F84 S85	D37-P81 WeakPolarHBondContact OD1-CB 3.26Å; D37-P81 VanDerWaalsContact OD1-CD 3.28Å; D37-P81 WeakPolarHBondContact OD1-CD 3.08Å; P81-K83 PolarHBondContact O-N 3.47Å; P81-F84 PolarHBondContact O-N 2.82Å; P81-S85 PolarHBondContact O-N 2.76Å
82	F	96.3	Very high	95.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-48.8	-40.2	174.7	176	-102.7	0	0	0	113.1	D37 A40 R41 A44 I76 P80 F84 S85 E87 G88 F91	D37-F82 VanDerWaalsContact OD1-CB 3.27Å; D37-F82 WeakPolarHBondContact OD1-CB 3.39Å; D37-F82 PolarHBondContact OD1-N 2.86Å; A40-F82 HydrophobicContact CB-CB 4.12Å; A40-F82 HydrophobicContact CB-CD1 3.63Å; A40-F82 HydrophobicContact CB-CE1 4.31Å; A40-F82 HydrophobicContact CB-CG 4.03Å; R41-F82 HydrophobicContact CG-CD2 3.45Å; R41-F82 VanDerWaalsContact CG-CD2 3.45Å; R41-F82 HydrophobicContact CG-CE2 3.75Å; R41-F82 HydrophobicContact CG-CG 4.21Å; A44-F82 HydrophobicContact CB-CE1 4.33Å; A44-F82 HydrophobicContact CB-CZ 3.77Å; I76-F82 HydrophobicContact CD1-CD1 4.07Å; P80-F82 PolarHBondContact O-N 2.63Å; F82-F84 PolarHBondContact O-N 3.39Å; F82-F84 VanDerWaalsContact O-N 3.17Å; F82-S85 PolarHBondContact O-N 2.88Å; F82-S85 VanDerWaalsContact O-N 3.13Å; F82-S85 PolarHBondContact O-OG 3.47Å; F82-E87 HydrophobicContact CD2-CB 4.2Å; F82-E87 HydrophobicContact CE2-CB 3.82Å; F82-G88 VanDerWaalsContact O-CA 3.24Å; F82-G88 WeakPolarHBondContact O-CA 3.47Å; F82-G88 PolarHBondContact O-N 2.89Å; F82-F91 HydrophobicContact CE1-CB 4.34Å; F82-F91 AromaticContact CE1-CD1 3.81Å; F82-F91 HydrophobicContact CE1-CD1 3.81Å; F82-F91 HydrophobicContact CE1-CG 4.34Å; F82-F91 HydrophobicContact CZ-CB 3.87Å; F82-F91 HydrophobicContact CZ-CD1 4.09Å; F82-F91 HydrophobicContact CZ-CG 4.15Å
83	K	95.8	Very high	96	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-56	-35.6	-179.9	-177.9	-177.4	-174	169	0	113.1	I76 P80 P81 E128 M129 K131 N136	I76-K83 HydrophobicContact CD1-CB 4.46Å; I76-K83 HydrophobicContact CG2-CD 3.79Å; I76-K83 HydrophobicContact CG2-CG 4.06Å; P80-K83 VanDerWaalsContact O-CB 3.29Å; P80-K83 WeakPolarHBondContact O-CB 3.38Å; P80-K83 PolarHBondContact O-N 2.9Å; P81-K83 PolarHBondContact O-N 3.47Å; K83-E128 WeakPolarHBondContact CE-O 3.5Å; K83-E128 PolarHBondContact NZ-O 3.17Å; K83-E128 IonicContact NZ-OE1 3.65Å; K83-M129 WeakPolarHBondContact CE-O 3.5Å; K83-M129 HydrophobicContact CG-SD 4.34Å; K83-K131 WeakPolarHBondContact CE-O 3.27Å; K83-K131 PolarHBondContact NZ-O 2.76Å; K83-N136 PolarHBondContact O-ND2 3.12Å
84	F	95.8	Very high	96	Very high	94 Å²	94	51.6 Å²	51.6	41%	0.412	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-102.1	1.2	-175.1	-52.3	-79.5	0	0	0	112.6	K79 P81 F82	K79-F84 HydrophobicContact CB-CE2 4.09Å; K79-F84 HydrophobicContact CB-CZ 4.38Å; P81-F84 PolarHBondContact O-N 2.82Å; F82-F84 PolarHBondContact O-N 3.39Å; F82-F84 VanDerWaalsContact O-N 3.17Å
85	S	96.9	Very high	96.1	Very high	32 Å²	32	51.4 Å²	51.4	22%	0.224	24%	0.235	C	C	.	.	S	Bend	trans	-85.7	165.8	179.6	84.5	0	0	0	0	111.2	P81 F82 E87 G88 Q89	P81-S85 PolarHBondContact O-N 2.76Å; F82-S85 PolarHBondContact O-N 2.88Å; F82-S85 VanDerWaalsContact O-N 3.13Å; F82-S85 PolarHBondContact O-OG 3.47Å; S85-E87 VanDerWaalsContact C-N 3.26Å; S85-E87 PolarHBondContact O-N 2.89Å; S85-E87 PolarHBondContact OG-N 3.16Å; S85-G88 PolarHBondContact O-N 2.8Å; S85-G88 PolarHBondContact OG-N 2.8Å; S85-G88 VanDerWaalsContact OG-N 3.14Å; S85-Q89 PolarHBondContact O-N 2.84Å
86	R	96.6	Very high	96.2	Very high	189 Å²	189	52.4 Å²	52.4	71%	0.713	24%	0.239	S	C	*	.	H	α-helix	trans	-60.2	-37.6	171.1	-177.7	178.2	171.6	165.9	3.9	112.1	G88 Q89 E90	R86-G88 VanDerWaalsContact C-N 3.3Å; R86-G88 PolarHBondContact O-N 3.02Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.37Å; R86-E90 IonicContact NE-OE1 3.52Å; R86-E90 PolarHBondContact NE-OE1 3.24Å; R86-E90 WeakPolarHBondContact O-CG 3.41Å; R86-E90 PolarHBondContact O-N 3.02Å
87	E	96.6	Very high	96.2	Very high	95 Å²	95	55 Å²	55	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-38.7	176.1	-60.2	172.1	170.9	0	0	111.3	R41 F82 S85 E90 F91	R41-E87 IonicContact CZ-OE2 3.92Å; R41-E87 IonicContact NE-OE2 3.29Å; R41-E87 PolarHBondContact NE-OE2 3.22Å; F82-E87 HydrophobicContact CD2-CB 4.2Å; F82-E87 HydrophobicContact CE2-CB 3.82Å; S85-E87 VanDerWaalsContact C-N 3.26Å; S85-E87 PolarHBondContact O-N 2.89Å; S85-E87 PolarHBondContact OG-N 3.16Å; E87-E90 PolarHBondContact O-N 3.21Å; E87-F91 PolarHBondContact O-N 2.74Å
88	G	97.1	Very high	96.2	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-35.8	173.8	0	0	0	0	0	113.3	F82 S85 R86 F91 L92 M129	F82-G88 VanDerWaalsContact O-CA 3.24Å; F82-G88 WeakPolarHBondContact O-CA 3.47Å; F82-G88 PolarHBondContact O-N 2.89Å; S85-G88 PolarHBondContact O-N 2.8Å; S85-G88 PolarHBondContact OG-N 2.8Å; S85-G88 VanDerWaalsContact OG-N 3.14Å; R86-G88 VanDerWaalsContact C-N 3.3Å; R86-G88 PolarHBondContact O-N 3.02Å; G88-F91 PolarHBondContact O-N 3.36Å; G88-L92 PolarHBondContact O-N 3.2Å; G88-M129 WeakPolarHBondContact O-CE 3.35Å
89	Q	97.8	Very high	96.3	Very high	55 Å²	55	49 Å²	49	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-68.2	-38.1	173.7	-70.8	172.1	0.2	0	0	112.3	S85 R86 F91 L92 R93 N136 L139	S85-Q89 PolarHBondContact O-N 2.84Å; R86-Q89 WeakPolarHBondContact O-CB 3.4Å; R86-Q89 PolarHBondContact O-N 3.37Å; Q89-F91 VanDerWaalsContact C-N 3.33Å; Q89-L92 WeakPolarHBondContact O-CB 3.36Å; Q89-L92 PolarHBondContact O-N 3.24Å; Q89-R93 PolarHBondContact O-N 2.83Å; Q89-R93 VanDerWaalsContact O-N 3.12Å; Q89-N136 VanDerWaalsContact CG-OD1 3.28Å; Q89-N136 WeakPolarHBondContact CG-OD1 3.35Å; Q89-L139 HydrophobicContact CB-CD1 3.98Å; Q89-L139 HydrophobicContact CG-CD1 3.87Å
90	E	97.7	Very high	96.4	Very high	76 Å²	76	43.7 Å²	43.7	36%	0.355	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-42.7	171.7	-72.5	171.1	-172.3	0	0	110.3	R86 E87 L92 R93 D94	R86-E90 IonicContact NE-OE1 3.52Å; R86-E90 PolarHBondContact NE-OE1 3.24Å; R86-E90 WeakPolarHBondContact O-CG 3.41Å; R86-E90 PolarHBondContact O-N 3.02Å; E87-E90 PolarHBondContact O-N 3.21Å; E90-L92 PolarHBondContact O-N 3.3Å; E90-R93 WeakPolarHBondContact O-CB 3.26Å; E90-R93 PolarHBondContact O-N 3.25Å; E90-D94 PolarHBondContact O-N 3.08Å; E90-D94 VanDerWaalsContact O-OD2 3.09Å
91	F	98.1	Very high	96.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-38.2	174.1	-176.4	-125.6	0	0	0	113.1	A44 I47 F82 E87 G88 Q89 R93 D94 I95 L125 M129	A44-F91 VanDerWaalsContact CA-CE2 3.45Å; A44-F91 HydrophobicContact CB-CB 4.36Å; A44-F91 HydrophobicContact CB-CD1 4.01Å; A44-F91 HydrophobicContact CB-CD2 3.45Å; A44-F91 VanDerWaalsContact CB-CD2 3.45Å; A44-F91 HydrophobicContact CB-CE1 4.13Å; A44-F91 HydrophobicContact CB-CE2 3.62Å; A44-F91 HydrophobicContact CB-CG 3.67Å; A44-F91 HydrophobicContact CB-CZ 3.96Å; I47-F91 HydrophobicContact CB-CE2 4.32Å; I47-F91 HydrophobicContact CD1-CE2 4.28Å; I47-F91 HydrophobicContact CD1-CZ 3.8Å; I47-F91 HydrophobicContact CG2-CE2 4.31Å; F82-F91 HydrophobicContact CE1-CB 4.34Å; F82-F91 AromaticContact CE1-CD1 3.81Å; F82-F91 HydrophobicContact CE1-CD1 3.81Å; F82-F91 HydrophobicContact CE1-CG 4.34Å; F82-F91 HydrophobicContact CZ-CB 3.87Å; F82-F91 HydrophobicContact CZ-CD1 4.09Å; F82-F91 HydrophobicContact CZ-CG 4.15Å; E87-F91 PolarHBondContact O-N 2.74Å; G88-F91 PolarHBondContact O-N 3.36Å; Q89-F91 VanDerWaalsContact C-N 3.33Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.21Å; F91-D94 HydrophobicContact CD2-CB 4.44Å; F91-D94 WeakPolarHBondContact O-CB 3.3Å; F91-D94 PolarHBondContact O-N 3.21Å; F91-D94 VanDerWaalsContact O-N 3.11Å; F91-I95 HydrophobicContact CD1-CD1 3.77Å; F91-I95 HydrophobicContact CD1-CG1 4.46Å; F91-I95 HydrophobicContact CD2-CD1 4.49Å; F91-I95 HydrophobicContact CD2-CG1 4.34Å; F91-I95 HydrophobicContact CE1-CD1 3.56Å; F91-I95 HydrophobicContact CE1-CG1 4.14Å; F91-I95 HydrophobicContact CE2-CD1 4.28Å; F91-I95 HydrophobicContact CE2-CG1 3.98Å; F91-I95 HydrophobicContact CG-CD1 4.25Å; F91-I95 HydrophobicContact CZ-CD1 3.82Å; F91-I95 HydrophobicContact CZ-CG1 3.88Å; F91-I95 WeakPolarHBondContact O-CD1 3.36Å; F91-I95 VanDerWaalsContact O-CG1 3.28Å; F91-I95 WeakPolarHBondContact O-CG1 3.33Å; F91-I95 PolarHBondContact O-N 3.24Å; F91-L125 HydrophobicContact CE1-CD2 4.18Å; F91-L125 HydrophobicContact CZ-CD2 4.09Å; F91-M129 HydrophobicContact CD1-CE 4.43Å
92	L	98.3	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-43.7	172.8	178.5	70.3	0	0	0	111.3	G88 Q89 E90 I95 F96 L126 M129 V130 N136 L139 W143	G88-L92 PolarHBondContact O-N 3.2Å; Q89-L92 WeakPolarHBondContact O-CB 3.36Å; Q89-L92 PolarHBondContact O-N 3.24Å; E90-L92 PolarHBondContact O-N 3.3Å; L92-I95 PolarHBondContact O-N 3.5Å; L92-F96 PolarHBondContact O-N 3.48Å; L92-F96 VanDerWaalsContact O-N 3.07Å; L92-L126 HydrophobicContact CD1-CD2 3.6Å; L92-M129 HydrophobicContact CB-CE 4.35Å; L92-M129 HydrophobicContact CD1-CB 3.71Å; L92-M129 HydrophobicContact CD1-CG 4.41Å; L92-V130 HydrophobicContact CD1-CG2 4.23Å; L92-N136 HydrophobicContact CD2-CB 3.85Å; L92-L139 HydrophobicContact CD2-CB 4.33Å; L92-W143 HydrophobicContact CD2-CH2 4.46Å; L92-W143 HydrophobicContact CD2-CZ3 4.27Å; L92-W143 HydrophobicContact CG-CH2 4.41Å; L92-W143 HydrophobicContact CG-CZ3 4.01Å
93	R	97.9	Very high	96	Very high	127 Å²	127	44.5 Å²	44.5	48%	0.479	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-40.4	174.3	-171.7	178.6	62.4	-177.8	-2.9	111.8	Q89 E90 F91 I95 F96 N97 W143	Q89-R93 PolarHBondContact O-N 2.83Å; Q89-R93 VanDerWaalsContact O-N 3.12Å; E90-R93 WeakPolarHBondContact O-CB 3.26Å; E90-R93 PolarHBondContact O-N 3.25Å; F91-R93 VanDerWaalsContact C-N 3.29Å; F91-R93 PolarHBondContact O-N 3.21Å; R93-I95 VanDerWaalsContact C-N 3.34Å; R93-I95 PolarHBondContact O-N 3.42Å; R93-F96 WeakPolarHBondContact O-CB 3.27Å; R93-F96 PolarHBondContact O-N 2.9Å; R93-N97 VanDerWaalsContact O-CG 3.32Å; R93-N97 PolarHBondContact O-N 2.97Å; R93-N97 PolarHBondContact O-ND2 2.96Å; R93-W143 HydrophobicContact CB-CH2 3.51Å; R93-W143 HydrophobicContact CB-CZ2 4.02Å; R93-W143 HydrophobicContact CB-CZ3 4.13Å; R93-W143 HydrophobicContact CG-CH2 3.98Å; R93-W143 HydrophobicContact CG-CZ2 4.06Å
94	D	97.3	Very high	95.6	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-46.4	177.5	-60.4	-38.6	0	0	0	110.5	R48 E90 F91 F96 N97 L98	R48-D94 IonicContact CZ-OD2 3.8Å; R48-D94 IonicContact NE-OD2 2.82Å; R48-D94 PolarHBondContact NE-OD2 2.92Å; R48-D94 IonicContact NH2-OD2 3.51Å; R48-D94 PolarHBondContact NH2-OD2 2.7Å; E90-D94 PolarHBondContact O-N 3.08Å; E90-D94 VanDerWaalsContact O-OD2 3.09Å; F91-D94 HydrophobicContact CD2-CB 4.44Å; F91-D94 WeakPolarHBondContact O-CB 3.3Å; F91-D94 PolarHBondContact O-N 3.21Å; F91-D94 VanDerWaalsContact O-N 3.11Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.5Å; D94-N97 CarbonylContact O-C 3.36Å; D94-N97 WeakPolarHBondContact O-CA 3.32Å; D94-N97 WeakPolarHBondContact O-CB 3.4Å; D94-N97 PolarHBondContact O-N 2.86Å; D94-N97 VanDerWaalsContact O-N 3.09Å; D94-L98 VanDerWaalsContact O-CG 3.32Å; D94-L98 WeakPolarHBondContact O-CG 3.36Å; D94-L98 PolarHBondContact O-N 3.07Å
95	I	97.8	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-42.8	176.2	-58.8	153.9	0	0	0	111.1	F91 L92 R93 N97 L98 L99 A122 L125 L126 M129	F91-I95 HydrophobicContact CD1-CD1 3.77Å; F91-I95 HydrophobicContact CD1-CG1 4.46Å; F91-I95 HydrophobicContact CD2-CD1 4.49Å; F91-I95 HydrophobicContact CD2-CG1 4.34Å; F91-I95 HydrophobicContact CE1-CD1 3.56Å; F91-I95 HydrophobicContact CE1-CG1 4.14Å; F91-I95 HydrophobicContact CE2-CD1 4.28Å; F91-I95 HydrophobicContact CE2-CG1 3.98Å; F91-I95 HydrophobicContact CG-CD1 4.25Å; F91-I95 HydrophobicContact CZ-CD1 3.82Å; F91-I95 HydrophobicContact CZ-CG1 3.88Å; F91-I95 WeakPolarHBondContact O-CD1 3.36Å; F91-I95 VanDerWaalsContact O-CG1 3.28Å; F91-I95 WeakPolarHBondContact O-CG1 3.33Å; F91-I95 PolarHBondContact O-N 3.24Å; L92-I95 PolarHBondContact O-N 3.5Å; R93-I95 VanDerWaalsContact C-N 3.34Å; R93-I95 PolarHBondContact O-N 3.42Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 3.28Å; I95-L98 WeakPolarHBondContact O-CB 3.35Å; I95-L98 PolarHBondContact O-N 3.17Å; I95-L98 VanDerWaalsContact O-N 3.15Å; I95-L99 PolarHBondContact O-N 2.93Å; I95-A122 HydrophobicContact CG2-CB 4.22Å; I95-L125 HydrophobicContact CD1-CD2 3.56Å; I95-L125 HydrophobicContact CD1-CG 3.63Å; I95-L125 HydrophobicContact CG1-CD2 3.89Å; I95-L125 HydrophobicContact CG1-CG 4.4Å; I95-L125 HydrophobicContact CG2-CD2 4.47Å; I95-L126 HydrophobicContact CB-CD2 3.77Å; I95-L126 HydrophobicContact CB-CG 4.39Å; I95-L126 HydrophobicContact CG2-CD1 4.47Å; I95-L126 HydrophobicContact CG2-CD2 3.58Å; I95-L126 HydrophobicContact CG2-CG 3.63Å; I95-M129 HydrophobicContact CD1-CG 4.22Å
96	F	97.4	Very high	94.6	Very high	22 Å²	22	53.4 Å²	53.4	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-43.4	174.8	-174.1	-92	0	0	0	111.3	L92 R93 D94 L98 L99 F100 I140 W143 V144	L92-F96 PolarHBondContact O-N 3.48Å; L92-F96 VanDerWaalsContact O-N 3.07Å; R93-F96 WeakPolarHBondContact O-CB 3.27Å; R93-F96 PolarHBondContact O-N 2.9Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 3.5Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 3.39Å; F96-L99 PolarHBondContact O-N 3.44Å; F96-L99 VanDerWaalsContact O-N 3.13Å; F96-F100 HydrophobicContact CD1-CB 4.48Å; F96-F100 HydrophobicContact CD1-CD2 4.17Å; F96-F100 AromaticContact CD2-CD2 3.62Å; F96-F100 HydrophobicContact CD2-CD2 3.62Å; F96-F100 AromaticContact CD2-CE2 3.89Å; F96-F100 HydrophobicContact CD2-CE2 3.89Å; F96-F100 HydrophobicContact CE1-CB 4.06Å; F96-F100 AromaticContact CE1-CD2 3.97Å; F96-F100 HydrophobicContact CE1-CD2 3.97Å; F96-F100 HydrophobicContact CE1-CG 4.38Å; F96-F100 AromaticContact CE2-CD2 3.39Å; F96-F100 HydrophobicContact CE2-CD2 3.39Å; F96-F100 AromaticContact CE2-CE2 3.62Å; F96-F100 HydrophobicContact CE2-CE2 3.62Å; F96-F100 HydrophobicContact CE2-CG 4.36Å; F96-F100 HydrophobicContact CG-CD2 4.01Å; F96-F100 HydrophobicContact CZ-CB 4.28Å; F96-F100 AromaticContact CZ-CD2 3.57Å; F96-F100 HydrophobicContact CZ-CD2 3.57Å; F96-F100 HydrophobicContact CZ-CE2 4.19Å; F96-F100 HydrophobicContact CZ-CG 4.14Å; F96-F100 WeakPolarHBondContact O-CD2 3.37Å; F96-F100 PolarHBondContact O-N 3.46Å; F96-I140 HydrophobicContact CD2-CD1 3.73Å; F96-I140 HydrophobicContact CE2-CD1 4.36Å; F96-W143 HydrophobicContact CB-CE3 4Å; F96-W143 HydrophobicContact CB-CZ3 4.15Å; F96-W143 HydrophobicContact CD1-CB 4.44Å; F96-W143 HydrophobicContact CD1-CE3 4.31Å; F96-W143 HydrophobicContact CD2-CB 4.36Å; F96-W143 HydrophobicContact CD2-CE3 4.09Å; F96-W143 HydrophobicContact CE1-CB 3.97Å; F96-W143 HydrophobicContact CE2-CB 3.87Å; F96-W143 AromaticContact CG-CE3 3.87Å; F96-W143 HydrophobicContact CG-CE3 3.87Å; F96-W143 HydrophobicContact CZ-CB 3.66Å; F96-V144 HydrophobicContact CE2-CG2 4.05Å
97	N	95.8	Very high	94.2	Very high	56 Å²	56	47.1 Å²	47.1	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-31.2	175.5	-68.6	-20.2	0	0	0	112.8	R93 D94 I95 L99 L101	R93-N97 VanDerWaalsContact O-CG 3.32Å; R93-N97 PolarHBondContact O-N 2.97Å; R93-N97 PolarHBondContact O-ND2 2.96Å; D94-N97 CarbonylContact O-C 3.36Å; D94-N97 WeakPolarHBondContact O-CA 3.32Å; D94-N97 WeakPolarHBondContact O-CB 3.4Å; D94-N97 PolarHBondContact O-N 2.86Å; D94-N97 VanDerWaalsContact O-N 3.09Å; I95-N97 VanDerWaalsContact C-N 3.31Å; I95-N97 PolarHBondContact O-N 3.28Å; N97-L99 PolarHBondContact O-N 2.76Å; N97-L101 HydrophobicContact CB-CB 4.27Å; N97-L101 WeakPolarHBondContact O-CB 3.47Å; N97-L101 PolarHBondContact O-N 3.04Å
98	L	94.6	Very high	93.8	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-25.2	173.8	-60.5	178.6	0	0	0	112.5	I47 L69 D94 I95 F96 P111 K112 C113	I47-L98 HydrophobicContact CG2-CD1 3.47Å; I47-L98 VanDerWaalsContact CG2-CD1 3.47Å; L69-L98 HydrophobicContact CD2-CD1 4.13Å; D94-L98 VanDerWaalsContact O-CG 3.32Å; D94-L98 WeakPolarHBondContact O-CG 3.36Å; D94-L98 PolarHBondContact O-N 3.07Å; I95-L98 WeakPolarHBondContact O-CB 3.35Å; I95-L98 PolarHBondContact O-N 3.17Å; I95-L98 VanDerWaalsContact O-N 3.15Å; F96-L98 VanDerWaalsContact C-N 3.33Å; F96-L98 PolarHBondContact O-N 3.39Å; L98-P111 WeakPolarHBondContact O-CB 3.23Å; L98-K112 HydrophobicContact CB-CB 4.49Å; L98-K112 HydrophobicContact CD2-CB 3.78Å; L98-K112 HydrophobicContact CD2-CD 3.54Å; L98-K112 HydrophobicContact CD2-CG 3.55Å; L98-K112 PolarHBondContact O-N 3.21Å; L98-C113 VanDerWaalsContact O-CB 3.29Å; L98-C113 WeakPolarHBondContact O-CB 3.5Å; L98-C113 PolarHBondContact O-N 2.64Å
99	L	94.1	Very high	93.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-96.9	-40.9	-178.7	-78	164.3	0	0	0	113.4	I95 F96 N97 C113 R119 A122 Y123 L126	I95-L99 PolarHBondContact O-N 2.93Å; F96-L99 PolarHBondContact O-N 3.44Å; F96-L99 VanDerWaalsContact O-N 3.13Å; N97-L99 PolarHBondContact O-N 2.76Å; L99-C113 HydrophobicContact CD2-CB 4.26Å; L99-R119 HydrophobicContact CD2-CB 3.9Å; L99-R119 HydrophobicContact CD2-CG 3.91Å; L99-R119 PolarHBondContact O-NH1 3.14Å; L99-R119 VanDerWaalsContact O-NH1 3.11Å; L99-A122 HydrophobicContact CD1-CB 3.73Å; L99-A122 HydrophobicContact CD2-CB 3.84Å; L99-A122 HydrophobicContact CG-CB 3.71Å; L99-Y123 HydrophobicContact CD1-CD1 3.71Å; L99-Y123 HydrophobicContact CD1-CE1 3.63Å; L99-Y123 HydrophobicContact CD1-CG 4.37Å; L99-Y123 HydrophobicContact CD2-CE1 4.2Å; L99-Y123 HydrophobicContact CD2-CE2 4.18Å; L99-Y123 HydrophobicContact CG-CE1 4.46Å; L99-L126 HydrophobicContact CD1-CD1 3.53Å; L99-L126 HydrophobicContact CD1-CG 4.41Å
100	F	94.6	Very high	92.7	Very high	21 Å²	21	55.6 Å²	55.6	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-122	-1.4	-164.1	-60	-67.3	0	0	0	115	F96 L102 Y123 N551 Y557	F96-F100 HydrophobicContact CD1-CB 4.48Å; F96-F100 HydrophobicContact CD1-CD2 4.17Å; F96-F100 AromaticContact CD2-CD2 3.62Å; F96-F100 HydrophobicContact CD2-CD2 3.62Å; F96-F100 AromaticContact CD2-CE2 3.89Å; F96-F100 HydrophobicContact CD2-CE2 3.89Å; F96-F100 HydrophobicContact CE1-CB 4.06Å; F96-F100 AromaticContact CE1-CD2 3.97Å; F96-F100 HydrophobicContact CE1-CD2 3.97Å; F96-F100 HydrophobicContact CE1-CG 4.38Å; F96-F100 AromaticContact CE2-CD2 3.39Å; F96-F100 HydrophobicContact CE2-CD2 3.39Å; F96-F100 AromaticContact CE2-CE2 3.62Å; F96-F100 HydrophobicContact CE2-CE2 3.62Å; F96-F100 HydrophobicContact CE2-CG 4.36Å; F96-F100 HydrophobicContact CG-CD2 4.01Å; F96-F100 HydrophobicContact CZ-CB 4.28Å; F96-F100 AromaticContact CZ-CD2 3.57Å; F96-F100 HydrophobicContact CZ-CD2 3.57Å; F96-F100 HydrophobicContact CZ-CE2 4.19Å; F96-F100 HydrophobicContact CZ-CG 4.14Å; F96-F100 WeakPolarHBondContact O-CD2 3.37Å; F96-F100 PolarHBondContact O-N 3.46Å; F100-L102 PolarHBondContact O-N 2.86Å; F100-L102 VanDerWaalsContact O-N 3.15Å; F100-Y123 HydrophobicContact CE2-CE1 4.13Å; F100-Y123 AromaticContact CZ-CE1 3.71Å; F100-Y123 HydrophobicContact CZ-CE1 3.71Å; F100-Y123 WeakPolarHBondContact CZ-OH 3.44Å; F100-N551 HydrophobicContact CD1-CB 4.24Å; F100-N551 HydrophobicContact CE1-CB 4.33Å; F100-Y557 HydrophobicContact CE1-CD2 4.06Å; F100-Y557 AromaticContact CE1-CE2 3.95Å; F100-Y557 HydrophobicContact CE1-CE2 3.95Å; F100-Y557 AromaticContact CZ-CD2 3.72Å; F100-Y557 HydrophobicContact CZ-CD2 3.72Å; F100-Y557 AromaticContact CZ-CE2 3.55Å; F100-Y557 HydrophobicContact CZ-CE2 3.55Å
101	L	93.4	Very high	92.4	Very high	74 Å²	74	52.6 Å²	52.6	39%	0.387	24%	0.24	S	C	.	.			trans	-67.4	116	171.6	-173.3	62.5	0	0	0	109.1	N97 Q110 P111	N97-L101 HydrophobicContact CB-CB 4.27Å; N97-L101 WeakPolarHBondContact O-CB 3.47Å; N97-L101 PolarHBondContact O-N 3.04Å; L101-Q110 HydrophobicContact CD2-CG 3.88Å; L101-Q110 HydrophobicContact CG-CB 4.34Å; L101-Q110 HydrophobicContact CG-CG 4.11Å; L101-P111 WeakPolarHBondContact O-CA 3.3Å; L101-P111 VanDerWaalsContact O-CB 3.31Å; L101-P111 WeakPolarHBondContact O-CB 3.25Å
102	L	91.4	Very high	92.1	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.157	25%	0.245	C	C	.	.			trans	-79.1	146.5	-177.2	-59.6	172.3	0	0	0	111	F100 M544 L547 Q548	F100-L102 PolarHBondContact O-N 2.86Å; F100-L102 VanDerWaalsContact O-N 3.15Å; L102-M544 HydrophobicContact CB-CE 4.3Å; L102-M544 HydrophobicContact CB-CG 4.24Å; L102-M544 HydrophobicContact CD1-CB 4.07Å; L102-M544 HydrophobicContact CD1-CE 4.21Å; L102-M544 WeakPolarHBondContact CD1-O 3.28Å; L102-L547 HydrophobicContact CD2-CB 4.15Å; L102-Q548 HydrophobicContact CD1-CB 4.1Å; L102-Q548 HydrophobicContact CD2-CB 4.23Å
103	P	90.4	Very high	91.7	Very high	11 Å²	11	53.9 Å²	53.9	7%	0.071	25%	0.245	C	C	.	.			trans	-66.2	150.9	172.1	32	-36	0	0	0	110.4	D107 Q110 W540 M544 L547	P103-D107 WeakPolarHBondContact CA-O 3.47Å; P103-Q110 HydrophobicContact CB-CB 4.48Å; P103-Q110 WeakPolarHBondContact CB-O 3.42Å; P103-W540 HydrophobicContact CB-CH2 4.47Å; P103-W540 HydrophobicContact CB-CZ3 3.89Å; P103-W540 HydrophobicContact CG-CZ3 4.26Å; P103-M544 WeakPolarHBondContact O-CG 3.32Å; P103-L547 HydrophobicContact CG-CD1 3.38Å
104	S	88.4	Confident	91.2	Very high	40 Å²	40	49.9 Å²	49.9	28%	0.28	23%	0.232	S	C	.	.			trans	-137.2	168.6	177.6	66.5	0	0	0	0	110.7	K106 D107 R108 W540	S104-K106 PolarHBondContact O-N 3.45Å; S104-K106 PolarHBondContact OG-N 3.03Å; S104-D107 PolarHBondContact N-O 3.08Å; S104-D107 CarbonylContact O-C 3.46Å; S104-D107 PolarHBondContact O-N 3.13Å; S104-D107 PolarHBondContact OG-N 3.5Å; S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 2.93Å; S104-R108 VanDerWaalsContact O-N 3.15Å; S104-W540 VanDerWaalsContact C-CZ3 3.5Å
105	L	85.4	Confident	90.8	Very high	65 Å²	65	48.7 Å²	48.7	34%	0.34	23%	0.226	S	C	.	.	S	Bend	trans	-51.5	-32.7	172.8	-77.7	172	0	0	0	113.3	L536 E537 W540	L105-L536 HydrophobicContact CD1-CB 4.25Å; L105-L536 HydrophobicContact CD2-CB 4.21Å; L105-E537 HydrophobicContact CD1-CG 3.96Å; L105-W540 HydrophobicContact CD1-CB 4.44Å; L105-W540 HydrophobicContact CD1-CG 4.39Å; L105-W540 HydrophobicContact CD2-CD2 3.94Å; L105-W540 HydrophobicContact CD2-CG 3.63Å; L105-W540 VanDerWaalsContact CD2-NE1 3.3Å; L105-W540 HydrophobicContact CG-CB 4.02Å; L105-W540 HydrophobicContact CG-CD2 3.97Å; L105-W540 HydrophobicContact CG-CG 3.58Å
106	K	86.3	Confident	90.4	Very high	208 Å²	208	54.5 Å²	54.5	90%	0.904	25%	0.253	S	S	*	.	S	Bend	trans	-80.7	-35.5	179.1	-66.1	179.9	-178.2	173.3	0	112.9	S104	S104-K106 PolarHBondContact O-N 3.45Å; S104-K106 PolarHBondContact OG-N 3.03Å
107	D	87.2	Confident	90	Very high	57 Å²	57	54.6 Å²	54.6	31%	0.305	26%	0.257	S	S	.	.			trans	-138	88.2	179.3	-171.7	1.5	0	0	0	110.4	P103 S104 R109 Q110	P103-D107 WeakPolarHBondContact CA-O 3.47Å; S104-D107 PolarHBondContact N-O 3.08Å; S104-D107 CarbonylContact O-C 3.46Å; S104-D107 PolarHBondContact O-N 3.13Å; S104-D107 PolarHBondContact OG-N 3.5Å; D107-R109 PolarHBondContact O-N 3.33Å; D107-R109 PolarHBondContact OD1-N 3.37Å; D107-Q110 HydrophobicContact CB-CG 4.45Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.48Å; D107-Q110 PolarHBondContact OD2-NE2 2.84Å
108	R	88.1	Confident	89.8	Confident	119 Å²	119	52 Å²	52	45%	0.449	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.8	-178	-57.7	-169.9	170.6	-155.6	-8.9	113.2	S104 E227 W540	S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 2.93Å; S104-R108 VanDerWaalsContact O-N 3.15Å; R108-E227 IonicContact CZ-OE1 2.76Å; R108-E227 IonicContact CZ-OE2 3.1Å; R108-E227 VanDerWaalsContact CZ-OE2 3.31Å; R108-E227 IonicContact NH1-OE1 3.34Å; R108-E227 PolarHBondContact NH1-OE1 2.83Å; R108-E227 VanDerWaalsContact NH1-OE1 3.11Å; R108-E227 IonicContact NH1-OE2 3.55Å; R108-E227 PolarHBondContact NH1-OE2 2.85Å; R108-E227 VanDerWaalsContact NH1-OE2 3.08Å; R108-E227 IonicContact NH2-OE1 2.67Å; R108-E227 IonicContact NH2-OE2 3.49Å; R108-E227 PolarHBondContact NH2-OE2 3.2Å; R108-E227 VanDerWaalsContact NH2-OE2 3.09Å; R108-W540 HydrophobicContact CB-CH2 3.82Å; R108-W540 HydrophobicContact CB-CZ2 4.42Å; R108-W540 HydrophobicContact CG-CH2 3.49Å; R108-W540 VanDerWaalsContact CG-CH2 3.49Å; R108-W540 HydrophobicContact CG-CZ2 3.69Å; R108-W540 HydrophobicContact CG-CZ3 4.42Å
109	R	84.4	Confident	89.8	Confident	179 Å²	179	51.8 Å²	51.8	68%	0.675	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.1	-169.4	-72.8	-173.1	-85	-170.1	-7	113.9	I52 D107 K114	I52-R109 HydrophobicContact CD1-CB 3.99Å; D107-R109 PolarHBondContact O-N 3.33Å; D107-R109 PolarHBondContact OD1-N 3.37Å; R109-K114 VanDerWaalsContact O-CE 3.27Å; R109-K114 WeakPolarHBondContact O-CE 3.41Å; R109-K114 PolarHBondContact O-NZ 3.49Å
110	Q	89.3	Confident	89.8	Confident	29 Å²	29	53 Å²	53	14%	0.136	25%	0.251	C	S	.	.			trans	-66.6	162.2	178.3	-59.2	-62.9	-17.5	0	0	112.8	L101 P103 D107	L101-Q110 HydrophobicContact CD2-CG 3.88Å; L101-Q110 HydrophobicContact CG-CB 4.34Å; L101-Q110 HydrophobicContact CG-CG 4.11Å; P103-Q110 HydrophobicContact CB-CB 4.48Å; P103-Q110 WeakPolarHBondContact CB-O 3.42Å; D107-Q110 HydrophobicContact CB-CG 4.45Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.48Å; D107-Q110 PolarHBondContact OD2-NE2 2.84Å
111	P	90.9	Very high	89.9	Confident	13 Å²	13	52 Å²	52	8%	0.084	25%	0.247	C	C	.	.			cis	-71.7	173.7	-16.2	29.7	-34.2	0	0	0	112.1	L98 L101 K114	L98-P111 WeakPolarHBondContact O-CB 3.23Å; L101-P111 WeakPolarHBondContact O-CA 3.3Å; L101-P111 VanDerWaalsContact O-CB 3.31Å; L101-P111 WeakPolarHBondContact O-CB 3.25Å; P111-K114 HydrophobicContact CG-CG 4.39Å; P111-K114 WeakPolarHBondContact O-CE 3.4Å
112	K	90.5	Very high	90.1	Very high	29 Å²	29	48.5 Å²	48.5	13%	0.126	23%	0.228	C	C	.	.	S	Bend	trans	-71.7	-39.4	174	-56.6	-144.8	-165.9	171.3	0	112.8	I47 R48 R50 I52 D54 L65 L98	I47-K112 PolarHBondContact O-NZ 3.19Å; R48-K112 PolarHBondContact O-NZ 3.14Å; R50-K112 PolarHBondContact O-NZ 3.16Å; I52-K112 HydrophobicContact CD1-CG 4.08Å; I52-K112 HydrophobicContact CG1-CB 4.46Å; I52-K112 HydrophobicContact CG1-CD 4.07Å; I52-K112 HydrophobicContact CG1-CG 3.83Å; D54-K112 WeakPolarHBondContact CB-O 3.4Å; L65-K112 HydrophobicContact CD2-CB 4.22Å; L98-K112 HydrophobicContact CB-CB 4.49Å; L98-K112 HydrophobicContact CD2-CB 3.78Å; L98-K112 HydrophobicContact CD2-CD 3.54Å; L98-K112 HydrophobicContact CD2-CG 3.55Å; L98-K112 PolarHBondContact O-N 3.21Å
113	C	90.8	Very high	90.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.			trans	-93.4	100.2	-179.9	-62.9	0	0	0	0	110	L98 L99 C118 R119	L98-C113 VanDerWaalsContact O-CB 3.29Å; L98-C113 WeakPolarHBondContact O-CB 3.5Å; L98-C113 PolarHBondContact O-N 2.64Å; L99-C113 HydrophobicContact CD2-CB 4.26Å; C113-C118 HydrophobicContact CB-CB 3.96Å; C113-R119 HydrophobicContact CB-CG 3.97Å; C113-R119 WeakPolarHBondContact O-CG 3.42Å
114	K	87.6	Confident	90.7	Very high	43 Å²	43	51.1 Å²	51.1	19%	0.187	24%	0.242	C	C	.	.			trans	-107.9	-40.1	-179.9	-73.5	158.9	172.7	171.8	0	112	D54 L56 R109 P111	D54-K114 HydrophobicContact CB-CB 4.38Å; D54-K114 WeakPolarHBondContact O-CD 3.44Å; D54-K114 PolarHBondContact O-NZ 3.1Å; D54-K114 PolarHBondContact OD2-N 2.92Å; L56-K114 HydrophobicContact CD1-CD 4.42Å; L56-K114 HydrophobicContact CG-CD 4.02Å; L56-K114 HydrophobicContact CG-CG 4.43Å; R109-K114 VanDerWaalsContact O-CE 3.27Å; R109-K114 WeakPolarHBondContact O-CE 3.41Å; R109-K114 PolarHBondContact O-NZ 3.49Å; P111-K114 HydrophobicContact CG-CG 4.39Å; P111-K114 WeakPolarHBondContact O-CE 3.4Å
115	S	87.8	Confident	91.2	Very high	15 Å²	15	49.2 Å²	49.2	11%	0.105	23%	0.228	C	C	.	.	S	Bend	trans	-70.2	150.8	177.7	61.5	0	0	0	0	112	D54 S117 C118 R119	D54-S115 WeakPolarHBondContact OD1-CB 3.47Å; D54-S115 PolarHBondContact OD1-OG 3.46Å; D54-S115 WeakPolarHBondContact OD2-CB 3.4Å; D54-S115 PolarHBondContact OD2-N 3.11Å; D54-S115 PolarHBondContact OD2-OG 2.96Å; S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.22Å; S115-C118 PolarHBondContact O-N 2.88Å; S115-C118 WeakPolarHBondContact OG-CB 3.5Å; S115-C118 PolarHBondContact OG-N 3.48Å; S115-C118 PolarHBondContact OG-SG 2.86Å; S115-C118 VanDerWaalsContact OG-SG 3.34Å; S115-R119 WeakPolarHBondContact O-CG 3.13Å; S115-R119 PolarHBondContact O-N 3.36Å
116	H	89.2	Confident	91.8	Very high	123 Å²	123	46.1 Å²	46.1	57%	0.569	21%	0.212	S	C	*	.	H	α-helix	trans	-54.9	-42.1	175.5	178.7	81.3	0	0	0	112.1	R119 A120 E554 T556	H116-R119 PolarHBondContact O-N 2.92Å; H116-A120 WeakPolarHBondContact O-CB 3.32Å; H116-A120 PolarHBondContact O-N 3.08Å; H116-E554 IonicContact ND1-OE1 3.95Å; H116-T556 WeakPolarHBondContact CE1-CG2 3.46Å; H116-T556 WeakPolarHBondContact ND1-CG2 3.49Å
117	S	89.3	Confident	92.4	Very high	24 Å²	24	36.7 Å²	36.7	17%	0.168	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-43.4	179.7	-178.7	0	0	0	0	113.2	S66 S115 A121	S66-S117 PolarHBondContact OG-O 2.87Å; S66-S117 PolarHBondContact OG-OG 2.84Å; S66-S117 VanDerWaalsContact OG-OG 3.12Å; S115-S117 VanDerWaalsContact C-N 3.26Å; S115-S117 PolarHBondContact O-N 3.22Å; S117-A121 WeakPolarHBondContact O-CB 3.42Å; S117-A121 PolarHBondContact O-N 2.91Å
118	C	91.5	Very high	92.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-44.5	176.9	-75.6	0	0	0	0	111.5	D54 D62 C113 S115 A121 A122	D54-C118 PolarHBondContact OD2-SG 3.15Å; D62-C118 PolarHBondContact O-SG 3.36Å; C113-C118 HydrophobicContact CB-CB 3.96Å; S115-C118 PolarHBondContact O-N 2.88Å; S115-C118 WeakPolarHBondContact OG-CB 3.5Å; S115-C118 PolarHBondContact OG-N 3.48Å; S115-C118 PolarHBondContact OG-SG 2.86Å; S115-C118 VanDerWaalsContact OG-SG 3.34Å; C118-A121 PolarHBondContact O-N 3.32Å; C118-A122 PolarHBondContact O-N 2.78Å
119	R	94.3	Very high	93.4	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-47.1	179.3	-68.5	177.7	62.2	74.8	-3.7	111.6	L99 C113 S115 H116 A121 A122 Y123 N551 E554	L99-R119 HydrophobicContact CD2-CB 3.9Å; L99-R119 HydrophobicContact CD2-CG 3.91Å; L99-R119 PolarHBondContact O-NH1 3.14Å; L99-R119 VanDerWaalsContact O-NH1 3.11Å; C113-R119 HydrophobicContact CB-CG 3.97Å; C113-R119 WeakPolarHBondContact O-CG 3.42Å; S115-R119 WeakPolarHBondContact O-CG 3.13Å; S115-R119 PolarHBondContact O-N 3.36Å; H116-R119 PolarHBondContact O-N 2.92Å; R119-A121 PolarHBondContact O-N 3.49Å; R119-A122 PolarHBondContact O-N 3.12Å; R119-Y123 HydrophobicContact CB-CE2 4.28Å; R119-Y123 PolarHBondContact NH2-OH 3.32Å; R119-Y123 WeakPolarHBondContact O-CD2 3.35Å; R119-Y123 PolarHBondContact O-N 3.46Å; R119-N551 PolarHBondContact NH1-OD1 3.43Å; R119-N551 PolarHBondContact NH2-O 3.3Å; R119-N551 VanDerWaalsContact NH2-O 3.09Å; R119-E554 IonicContact CZ-OE2 3.09Å; R119-E554 VanDerWaalsContact CZ-OE2 3.27Å; R119-E554 IonicContact NE-OE1 2.99Å; R119-E554 IonicContact NE-OE2 3.08Å; R119-E554 PolarHBondContact NE-OE2 3.42Å; R119-E554 IonicContact NH2-OE2 3.87Å; R119-E554 PolarHBondContact NH2-OE2 3.01Å
120	A	95.3	Very high	94	Very high	25 Å²	25	20.6 Å²	20.6	21%	0.207	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-46	175.2	0	0	0	0	0	112.3	H116 A122 Y123 D124	H116-A120 WeakPolarHBondContact O-CB 3.32Å; H116-A120 PolarHBondContact O-N 3.08Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.27Å; A120-Y123 PolarHBondContact O-N 2.93Å; A120-D124 PolarHBondContact O-N 3.32Å
121	A	96.1	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-36	177.8	0	0	0	0	0	113.1	L69 R70 S117 C118 R119 L125	L69-A121 HydrophobicContact CB-CB 3.84Å; L69-A121 HydrophobicContact CD1-CB 4.23Å; R70-A121 HydrophobicContact CG-CB 3.89Å; S117-A121 WeakPolarHBondContact O-CB 3.42Å; S117-A121 PolarHBondContact O-N 2.91Å; C118-A121 PolarHBondContact O-N 3.32Å; R119-A121 PolarHBondContact O-N 3.49Å; A121-L125 PolarHBondContact O-N 3.32Å; A121-L125 VanDerWaalsContact O-N 3.15Å
122	A	97.6	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.2	-39.9	175.9	0	0	0	0	0	112.1	L69 I95 L99 C118 R119 A120 L125 L126	L69-A122 HydrophobicContact CD1-CB 4.04Å; L69-A122 HydrophobicContact CD2-CB 4.45Å; I95-A122 HydrophobicContact CG2-CB 4.22Å; L99-A122 HydrophobicContact CD1-CB 3.73Å; L99-A122 HydrophobicContact CD2-CB 3.84Å; L99-A122 HydrophobicContact CG-CB 3.71Å; C118-A122 PolarHBondContact O-N 2.78Å; R119-A122 PolarHBondContact O-N 3.12Å; A120-A122 VanDerWaalsContact C-N 3.33Å; A120-A122 PolarHBondContact O-N 3.27Å; A122-L125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CG 3.44Å; A122-L126 PolarHBondContact O-N 2.98Å
123	Y	98.2	Very high	94.7	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-44.2	173.4	-71.4	-51.6	0	0	0	112.3	L99 F100 R119 A120 L125 L126 V127 Y557 F560	L99-Y123 HydrophobicContact CD1-CD1 3.71Å; L99-Y123 HydrophobicContact CD1-CE1 3.63Å; L99-Y123 HydrophobicContact CD1-CG 4.37Å; L99-Y123 HydrophobicContact CD2-CE1 4.2Å; L99-Y123 HydrophobicContact CD2-CE2 4.18Å; L99-Y123 HydrophobicContact CG-CE1 4.46Å; F100-Y123 HydrophobicContact CE2-CE1 4.13Å; F100-Y123 AromaticContact CZ-CE1 3.71Å; F100-Y123 HydrophobicContact CZ-CE1 3.71Å; F100-Y123 WeakPolarHBondContact CZ-OH 3.44Å; R119-Y123 HydrophobicContact CB-CE2 4.28Å; R119-Y123 PolarHBondContact NH2-OH 3.32Å; R119-Y123 WeakPolarHBondContact O-CD2 3.35Å; R119-Y123 PolarHBondContact O-N 3.46Å; A120-Y123 PolarHBondContact O-N 2.93Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3.35Å; Y123-L126 HydrophobicContact CD1-CD1 4.4Å; Y123-L126 PolarHBondContact O-N 3.14Å; Y123-V127 WeakPolarHBondContact O-CB 3.48Å; Y123-V127 WeakPolarHBondContact O-CG2 3.24Å; Y123-V127 PolarHBondContact O-N 2.8Å; Y123-Y557 HydrophobicContact CE1-CD2 4.04Å; Y123-Y557 AromaticContact CZ-CD2 3.96Å; Y123-Y557 WeakPolarHBondContact OH-CD2 3.31Å; Y123-F560 HydrophobicContact CD1-CB 3.69Å; Y123-F560 AromaticContact CD1-CD1 3.85Å; Y123-F560 HydrophobicContact CD1-CD1 3.85Å; Y123-F560 AromaticContact CD1-CD2 3.67Å; Y123-F560 HydrophobicContact CD1-CD2 3.67Å; Y123-F560 HydrophobicContact CD1-CE1 4.42Å; Y123-F560 HydrophobicContact CD1-CE2 4.27Å; Y123-F560 AromaticContact CD1-CG 3.44Å; Y123-F560 HydrophobicContact CD1-CG 3.44Å; Y123-F560 VanDerWaalsContact CD1-CG 3.44Å; Y123-F560 HydrophobicContact CD2-CB 4.48Å; Y123-F560 HydrophobicContact CE1-CB 4.2Å; Y123-F560 AromaticContact CE1-CD1 3.92Å; Y123-F560 HydrophobicContact CE1-CD1 3.92Å; Y123-F560 HydrophobicContact CE1-CE1 4.47Å; Y123-F560 AromaticContact CE1-CG 3.96Å; Y123-F560 HydrophobicContact CE1-CG 3.96Å; Y123-F560 HydrophobicContact CG-CB 3.88Å; Y123-F560 HydrophobicContact CG-CD2 4.25Å; Y123-F560 HydrophobicContact CG-CG 4.08Å
124	D	97.8	Very high	95	Very high	89 Å²	89	22.7 Å²	22.7	48%	0.476	12%	0.123	S	C	.	.	H	α-helix	trans	-57.8	-42.6	175.4	-76.3	-20.5	0	0	0	111.5	T73 A120 E128	T73-D124 HydrophobicContact CG2-CB 4.4Å; A120-D124 PolarHBondContact O-N 3.32Å; D124-E128 WeakPolarHBondContact O-CB 3.47Å; D124-E128 PolarHBondContact O-N 3.38Å
125	L	98.3	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-42.9	177.2	-176.8	55.5	0	0	0	112.3	L69 A72 T73 I76 F91 I95 A121 A122 Y123 E128 M129	L69-L125 HydrophobicContact CD2-CD2 3.71Å; A72-L125 HydrophobicContact CB-CD1 3.97Å; A72-L125 HydrophobicContact CB-CD2 3.93Å; T73-L125 WeakPolarHBondContact OG1-CA 3.34Å; T73-L125 WeakPolarHBondContact OG1-CB 3.3Å; T73-L125 PolarHBondContact OG1-N 3.28Å; I76-L125 HydrophobicContact CG1-CD1 4.25Å; F91-L125 HydrophobicContact CE1-CD2 4.18Å; F91-L125 HydrophobicContact CZ-CD2 4.09Å; I95-L125 HydrophobicContact CD1-CD2 3.56Å; I95-L125 HydrophobicContact CD1-CG 3.63Å; I95-L125 HydrophobicContact CG1-CD2 3.89Å; I95-L125 HydrophobicContact CG1-CG 4.4Å; I95-L125 HydrophobicContact CG2-CD2 4.47Å; A121-L125 PolarHBondContact O-N 3.32Å; A121-L125 VanDerWaalsContact O-N 3.15Å; A122-L125 PolarHBondContact O-N 2.83Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3.35Å; L125-E128 PolarHBondContact O-N 3.15Å; L125-M129 HydrophobicContact CD1-CG 4.24Å; L125-M129 WeakPolarHBondContact O-CB 3.15Å; L125-M129 VanDerWaalsContact O-CG 3.32Å; L125-M129 WeakPolarHBondContact O-CG 3.32Å; L125-M129 PolarHBondContact O-N 2.91Å
126	L	98.2	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-50.1	174.8	-76.2	179.5	0	0	0	111.1	L92 I95 L99 A122 Y123 E128 M129 V130 I140 F560	L92-L126 HydrophobicContact CD1-CD2 3.6Å; I95-L126 HydrophobicContact CB-CD2 3.77Å; I95-L126 HydrophobicContact CB-CG 4.39Å; I95-L126 HydrophobicContact CG2-CD1 4.47Å; I95-L126 HydrophobicContact CG2-CD2 3.58Å; I95-L126 HydrophobicContact CG2-CG 3.63Å; L99-L126 HydrophobicContact CD1-CD1 3.53Å; L99-L126 HydrophobicContact CD1-CG 4.41Å; A122-L126 WeakPolarHBondContact O-CG 3.44Å; A122-L126 PolarHBondContact O-N 2.98Å; Y123-L126 HydrophobicContact CD1-CD1 4.4Å; Y123-L126 PolarHBondContact O-N 3.14Å; L126-E128 VanDerWaalsContact C-N 3.29Å; L126-E128 PolarHBondContact O-N 3.46Å; L126-M129 PolarHBondContact O-N 2.94Å; L126-V130 WeakPolarHBondContact O-CG2 3.42Å; L126-V130 PolarHBondContact O-N 2.62Å; L126-V130 VanDerWaalsContact O-N 3.17Å; L126-I140 HydrophobicContact CD1-CD1 4.24Å; L126-I140 HydrophobicContact CD2-CD1 4.06Å; L126-F560 HydrophobicContact CB-CE2 3.98Å; L126-F560 HydrophobicContact CD1-CE2 4.21Å; L126-F560 HydrophobicContact CD1-CZ 4.19Å
127	V	98.1	Very high	96.2	Very high	11 Å²	11	18.9 Å²	18.9	7%	0.067	11%	0.105	C	C	.	.	H	α-helix	trans	-57	-46.5	177.9	167.3	0	0	0	0	110	Y123 V130 K131 F560 Q563 I568	Y123-V127 WeakPolarHBondContact O-CB 3.48Å; Y123-V127 WeakPolarHBondContact O-CG2 3.24Å; Y123-V127 PolarHBondContact O-N 2.8Å; V127-V130 PolarHBondContact O-N 3.14Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.88Å; V127-K131 VanDerWaalsContact O-N 3.1Å; V127-F560 HydrophobicContact CG2-CD2 3.67Å; V127-F560 HydrophobicContact CG2-CE2 3.9Å; V127-Q563 HydrophobicContact CG1-CB 4.33Å; V127-Q563 HydrophobicContact CG2-CB 3.97Å; V127-I568 HydrophobicContact CG1-CD1 3.93Å
128	E	97.9	Very high	96.5	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.075	12%	0.117	C	C	.	.	H	α-helix	trans	-67.8	-38.7	-179.1	-165.6	54.8	-128.2	0	0	113	T73 I76 K77 K83 D124 L125 L126 V130 K131	T73-E128 HydrophobicContact CG2-CB 3.88Å; T73-E128 HydrophobicContact CG2-CG 4.14Å; I76-E128 HydrophobicContact CB-CG 4.29Å; I76-E128 HydrophobicContact CG2-CG 4Å; K77-E128 VanDerWaalsContact CG-CD 3.44Å; K77-E128 HydrophobicContact CG-CG 3.75Å; K83-E128 WeakPolarHBondContact CE-O 3.5Å; K83-E128 PolarHBondContact NZ-O 3.17Å; K83-E128 IonicContact NZ-OE1 3.65Å; D124-E128 WeakPolarHBondContact O-CB 3.47Å; D124-E128 PolarHBondContact O-N 3.38Å; L125-E128 PolarHBondContact O-N 3.15Å; L126-E128 VanDerWaalsContact C-N 3.29Å; L126-E128 PolarHBondContact O-N 3.46Å; E128-V130 PolarHBondContact O-N 3.01Å; E128-K131 PolarHBondContact O-N 3.43Å; E128-K131 WeakPolarHBondContact OE2-CD 3.29Å; E128-K131 IonicContact OE2-NZ 3.12Å; E128-K131 PolarHBondContact OE2-NZ 2.96Å
129	M	97.8	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-30.1	174.1	-78.2	-66.5	-68.2	0	0	112.7	I76 K83 G88 F91 L92 I95 L125 L126 N136	I76-M129 HydrophobicContact CB-SD 4.34Å; I76-M129 HydrophobicContact CD1-SD 3.65Å; I76-M129 HydrophobicContact CG1-SD 3.72Å; I76-M129 HydrophobicContact CG2-CG 4.27Å; I76-M129 HydrophobicContact CG2-SD 3.65Å; K83-M129 WeakPolarHBondContact CE-O 3.5Å; K83-M129 HydrophobicContact CG-SD 4.34Å; G88-M129 WeakPolarHBondContact O-CE 3.35Å; F91-M129 HydrophobicContact CD1-CE 4.43Å; L92-M129 HydrophobicContact CB-CE 4.35Å; L92-M129 HydrophobicContact CD1-CB 3.71Å; L92-M129 HydrophobicContact CD1-CG 4.41Å; I95-M129 HydrophobicContact CD1-CG 4.22Å; L125-M129 HydrophobicContact CD1-CG 4.24Å; L125-M129 WeakPolarHBondContact O-CB 3.15Å; L125-M129 VanDerWaalsContact O-CG 3.32Å; L125-M129 WeakPolarHBondContact O-CG 3.32Å; L125-M129 PolarHBondContact O-N 2.91Å; L126-M129 PolarHBondContact O-N 2.94Å; M129-N136 PolarHBondContact O-ND2 3.25Å
130	V	97.1	Very high	96.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-87.4	-30.6	-176.9	176.8	0	0	0	0	112.5	L92 L126 V127 E128 G132 S133 N136 Y137 I140 L564 I568	L92-V130 HydrophobicContact CD1-CG2 4.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.42Å; L126-V130 PolarHBondContact O-N 2.62Å; L126-V130 VanDerWaalsContact O-N 3.17Å; V127-V130 PolarHBondContact O-N 3.14Å; E128-V130 PolarHBondContact O-N 3.01Å; V130-G132 PolarHBondContact O-N 2.78Å; V130-G132 VanDerWaalsContact O-N 3.15Å; V130-S133 PolarHBondContact O-N 2.82Å; V130-N136 HydrophobicContact CG2-CB 4.31Å; V130-Y137 HydrophobicContact CG1-CD2 3.77Å; V130-Y137 HydrophobicContact CG1-CG 4.25Å; V130-I140 HydrophobicContact CG1-CG2 4.21Å; V130-I140 HydrophobicContact CG2-CB 4.14Å; V130-I140 HydrophobicContact CG2-CG2 3.72Å; V130-L564 HydrophobicContact CG1-CD1 4.5Å; V130-I568 HydrophobicContact CG1-CG2 3.67Å
131	K	96.1	Very high	97	Very high	68 Å²	68	24.9 Å²	24.9	30%	0.296	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	121.5	-179.5	-79.3	179.5	-166.9	157	0	112.6	K83 V127 E128 S133 I568 T571	K83-K131 WeakPolarHBondContact CE-O 3.27Å; K83-K131 PolarHBondContact NZ-O 2.76Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.88Å; V127-K131 VanDerWaalsContact O-N 3.1Å; E128-K131 PolarHBondContact O-N 3.43Å; E128-K131 WeakPolarHBondContact OE2-CD 3.29Å; E128-K131 IonicContact OE2-NZ 3.12Å; E128-K131 PolarHBondContact OE2-NZ 2.96Å; K131-S133 VanDerWaalsContact C-N 3.28Å; K131-S133 PolarHBondContact O-N 2.84Å; K131-I568 HydrophobicContact CB-CD1 4.31Å; K131-I568 HydrophobicContact CD-CD1 4.39Å; K131-I568 HydrophobicContact CG-CD1 3.29Å; K131-T571 HydrophobicContact CG-CG2 4.45Å
132	G	94.4	Very high	97	Very high	21 Å²	21	29.2 Å²	29.2	22%	0.216	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	9.4	178.6	0	0	0	0	0	116	V130 T571	V130-G132 PolarHBondContact O-N 2.78Å; V130-G132 VanDerWaalsContact O-N 3.15Å; G132-T571 WeakPolarHBondContact CA-O 3.36Å; G132-T571 PolarHBondContact N-OG1 3.38Å
133	S	95.9	Very high	96.9	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	16%	0.157	C	C	.	.			trans	-120.6	115.9	173.1	173.3	0	0	0	0	110.9	V130 K131 N136 Y137	V130-S133 PolarHBondContact O-N 2.82Å; K131-S133 VanDerWaalsContact C-N 3.28Å; K131-S133 PolarHBondContact O-N 2.84Å; S133-N136 WeakPolarHBondContact OG-CB 3.5Å; S133-N136 VanDerWaalsContact OG-CG 3.3Å; S133-N136 PolarHBondContact OG-N 3.28Å; S133-Y137 WeakPolarHBondContact O-CB 3.27Å; S133-Y137 PolarHBondContact O-N 2.74Å; S133-Y137 VanDerWaalsContact O-N 3.1Å
134	V	95.7	Very high	96.8	Very high	22 Å²	22	32 Å²	32	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-70.6	-37.3	-180	-179.7	0	0	0	0	110.7	Y137 R138 L572 V578	V134-Y137 PolarHBondContact O-N 2.98Å; V134-R138 WeakPolarHBondContact O-CG 3.21Å; V134-R138 PolarHBondContact O-N 3.46Å; V134-L572 HydrophobicContact CG2-CB 4.37Å; V134-L572 HydrophobicContact CG2-CD2 4.43Å; V134-V578 HydrophobicContact CG1-CG1 4.25Å
135	E	95.3	Very high	96.7	Very high	101 Å²	101	28.5 Å²	28.5	47%	0.472	14%	0.137	S	C	.	.	H	α-helix	trans	-63.4	-49.3	178.6	-63.2	75	-167.1	0	0	110.9	Y137 R138 L139	E135-Y137 VanDerWaalsContact C-N 3.29Å; E135-Y137 PolarHBondContact O-N 3.01Å; E135-R138 PolarHBondContact O-N 3.19Å; E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.22Å; E135-L139 VanDerWaalsContact O-N 3.09Å
136	N	97.1	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-37.3	177.2	-66.8	-2.8	0	0	0	111	K83 Q89 L92 M129 V130 S133 L139 I140	K83-N136 PolarHBondContact O-ND2 3.12Å; Q89-N136 VanDerWaalsContact CG-OD1 3.28Å; Q89-N136 WeakPolarHBondContact CG-OD1 3.35Å; L92-N136 HydrophobicContact CD2-CB 3.85Å; M129-N136 PolarHBondContact O-ND2 3.25Å; V130-N136 HydrophobicContact CG2-CB 4.31Å; S133-N136 WeakPolarHBondContact OG-CB 3.5Å; S133-N136 VanDerWaalsContact OG-CG 3.3Å; S133-N136 PolarHBondContact OG-N 3.28Å; N136-L139 PolarHBondContact O-N 3.5Å; N136-I140 PolarHBondContact O-N 2.8Å
137	Y	97.4	Very high	96.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-43.5	174.2	-177.3	-107.8	0	0	0	112.4	V130 S133 V134 E135 L139 I140 H141 L564 I568 L572 V578 T582	V130-Y137 HydrophobicContact CG1-CD2 3.77Å; V130-Y137 HydrophobicContact CG1-CG 4.25Å; S133-Y137 WeakPolarHBondContact O-CB 3.27Å; S133-Y137 PolarHBondContact O-N 2.74Å; S133-Y137 VanDerWaalsContact O-N 3.1Å; V134-Y137 PolarHBondContact O-N 2.98Å; E135-Y137 VanDerWaalsContact C-N 3.29Å; E135-Y137 PolarHBondContact O-N 3.01Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.27Å; Y137-I140 HydrophobicContact CD2-CG2 4.49Å; Y137-I140 WeakPolarHBondContact O-CG2 3.49Å; Y137-H141 WeakPolarHBondContact O-CB 3.36Å; Y137-H141 PolarHBondContact O-N 3.35Å; Y137-L564 HydrophobicContact CD2-CD1 3.83Å; Y137-L564 HydrophobicContact CE2-CD1 3.63Å; Y137-L564 HydrophobicContact CE2-CG 4.19Å; Y137-I568 HydrophobicContact CD2-CG2 3.55Å; Y137-I568 HydrophobicContact CE2-CG2 3.88Å; Y137-I568 HydrophobicContact CG-CG2 4.43Å; Y137-L572 HydrophobicContact CD1-CD1 3.95Å; Y137-L572 HydrophobicContact CG-CD1 3.96Å; Y137-V578 HydrophobicContact CD1-CB 4.21Å; Y137-V578 HydrophobicContact CD1-CG1 3.96Å; Y137-V578 HydrophobicContact CE1-CB 3.87Å; Y137-V578 HydrophobicContact CE1-CG1 4.14Å; Y137-V578 HydrophobicContact CE1-CG2 4.32Å; Y137-T582 WeakPolarHBondContact OH-CB 3.33Å; Y137-T582 WeakPolarHBondContact OH-CG2 3.37Å; Y137-T582 PolarHBondContact OH-OG1 2.91Å
138	R	96.6	Very high	95.6	Very high	116 Å²	116	32.5 Å²	32.5	44%	0.438	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-40.4	177	-73	175.8	179	155.5	1.5	112.2	V134 E135 N142 M581	V134-R138 WeakPolarHBondContact O-CG 3.21Å; V134-R138 PolarHBondContact O-N 3.46Å; E135-R138 PolarHBondContact O-N 3.19Å; R138-N142 PolarHBondContact O-N 3.29Å; R138-N142 VanDerWaalsContact O-N 3.11Å; R138-N142 PolarHBondContact O-ND2 2.77Å; R138-N142 PolarHBondContact O-OD1 3.32Å; R138-M581 HydrophobicContact CB-CE 4.43Å; R138-M581 HydrophobicContact CG-CE 4Å; R138-M581 HydrophobicContact CG-SD 4.21Å
139	L	97.5	Very high	94.8	Very high	54 Å²	54	36.5 Å²	36.5	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-63.8	-54.7	178.1	-69.2	173.7	0	0	0	111.5	Q89 L92 E135 N136 Y137 H141 N142 W143	Q89-L139 HydrophobicContact CB-CD1 3.98Å; Q89-L139 HydrophobicContact CG-CD1 3.87Å; L92-L139 HydrophobicContact CD2-CB 4.33Å; E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.22Å; E135-L139 VanDerWaalsContact O-N 3.09Å; N136-L139 PolarHBondContact O-N 3.5Å; Y137-L139 VanDerWaalsContact C-N 3.34Å; Y137-L139 PolarHBondContact O-N 3.27Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.9Å; L139-N142 PolarHBondContact O-N 2.82Å; L139-W143 HydrophobicContact CB-CH2 4.04Å; L139-W143 HydrophobicContact CB-CZ2 4.04Å; L139-W143 HydrophobicContact CB-CZ3 4.5Å; L139-W143 HydrophobicContact CD2-CZ2 4.32Å; L139-W143 PolarHBondContact O-N 3.4Å
140	I	97.1	Very high	93.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-39.3	-179.1	-161.6	68	0	0	0	111.2	F96 L126 V130 N136 Y137 N142 W143 V144 F560 L564	F96-I140 HydrophobicContact CD2-CD1 3.73Å; F96-I140 HydrophobicContact CE2-CD1 4.36Å; L126-I140 HydrophobicContact CD1-CD1 4.24Å; L126-I140 HydrophobicContact CD2-CD1 4.06Å; V130-I140 HydrophobicContact CG1-CG2 4.21Å; V130-I140 HydrophobicContact CG2-CB 4.14Å; V130-I140 HydrophobicContact CG2-CG2 3.72Å; N136-I140 PolarHBondContact O-N 2.8Å; Y137-I140 HydrophobicContact CD2-CG2 4.49Å; Y137-I140 WeakPolarHBondContact O-CG2 3.49Å; I140-N142 VanDerWaalsContact C-N 3.32Å; I140-N142 PolarHBondContact O-N 3.03Å; I140-W143 HydrophobicContact CD1-CE3 4Å; I140-W143 HydrophobicContact CD1-CZ3 4.41Å; I140-W143 PolarHBondContact O-N 3.48Å; I140-V144 HydrophobicContact CD1-CG2 4.4Å; I140-V144 HydrophobicContact CG1-CG2 4.12Å; I140-V144 WeakPolarHBondContact O-CB 3.49Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.32Å; I140-F560 HydrophobicContact CG1-CZ 4.21Å; I140-L564 HydrophobicContact CG2-CD1 3.71Å; I140-L564 HydrophobicContact CG2-CD2 4.38Å
141	H	96.4	Very high	90.9	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-55.2	-49	175.2	167	-78.3	0	0	0	110.6	Y137 L139 W143 M145 M581	Y137-H141 WeakPolarHBondContact O-CB 3.36Å; Y137-H141 PolarHBondContact O-N 3.35Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 2.9Å; H141-W143 PolarHBondContact O-N 3.5Å; H141-M145 WeakPolarHBondContact O-CA 3.45Å; H141-M145 WeakPolarHBondContact O-CB 3.42Å; H141-M145 PolarHBondContact O-N 2.77Å; H141-M581 HydrophobicContact CB-CE 4.22Å; H141-M581 WeakPolarHBondContact ND1-CE 3.45Å; H141-M581 PolarHBondContact NE2-O 3.18Å
142	N	96.3	Very high	88.9	Confident	92 Å²	92	46.7 Å²	46.7	49%	0.492	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-38.6	-177	-68.8	-11.7	0	0	0	112.4	R138 L139 I140 A146	R138-N142 PolarHBondContact O-N 3.29Å; R138-N142 VanDerWaalsContact O-N 3.11Å; R138-N142 PolarHBondContact O-ND2 2.77Å; R138-N142 PolarHBondContact O-OD1 3.32Å; L139-N142 PolarHBondContact O-N 2.82Å; I140-N142 VanDerWaalsContact C-N 3.32Å; I140-N142 PolarHBondContact O-N 3.03Å; N142-A146 PolarHBondContact O-N 2.81Å; N142-A146 VanDerWaalsContact O-N 3.12Å
143	W	96.2	Very high	87.4	Confident	64 Å²	64	49.4 Å²	49.4	24%	0.242	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-44.4	178.6	-56.6	-29.4	0	0	0	112.3	L92 R93 F96 L139 I140 H141 A146 Q147	L92-W143 HydrophobicContact CD2-CH2 4.46Å; L92-W143 HydrophobicContact CD2-CZ3 4.27Å; L92-W143 HydrophobicContact CG-CH2 4.41Å; L92-W143 HydrophobicContact CG-CZ3 4.01Å; R93-W143 HydrophobicContact CB-CH2 3.51Å; R93-W143 HydrophobicContact CB-CZ2 4.02Å; R93-W143 HydrophobicContact CB-CZ3 4.13Å; R93-W143 HydrophobicContact CG-CH2 3.98Å; R93-W143 HydrophobicContact CG-CZ2 4.06Å; F96-W143 HydrophobicContact CB-CE3 4Å; F96-W143 HydrophobicContact CB-CZ3 4.15Å; F96-W143 HydrophobicContact CD1-CB 4.44Å; F96-W143 HydrophobicContact CD1-CE3 4.31Å; F96-W143 HydrophobicContact CD2-CB 4.36Å; F96-W143 HydrophobicContact CD2-CE3 4.09Å; F96-W143 HydrophobicContact CE1-CB 3.97Å; F96-W143 HydrophobicContact CE2-CB 3.87Å; F96-W143 AromaticContact CG-CE3 3.87Å; F96-W143 HydrophobicContact CG-CE3 3.87Å; F96-W143 HydrophobicContact CZ-CB 3.66Å; L139-W143 HydrophobicContact CB-CH2 4.04Å; L139-W143 HydrophobicContact CB-CZ2 4.04Å; L139-W143 HydrophobicContact CB-CZ3 4.5Å; L139-W143 HydrophobicContact CD2-CZ2 4.32Å; L139-W143 PolarHBondContact O-N 3.4Å; I140-W143 HydrophobicContact CD1-CE3 4Å; I140-W143 HydrophobicContact CD1-CZ3 4.41Å; I140-W143 PolarHBondContact O-N 3.48Å; H141-W143 PolarHBondContact O-N 3.5Å; W143-A146 WeakPolarHBondContact O-CB 3.5Å; W143-A146 PolarHBondContact O-N 2.83Å; W143-Q147 PolarHBondContact O-N 2.84Å
144	V	95.8	Very high	86.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70	-38.9	178	176.7	0	0	0	0	110.9	F96 I140 A146 Q147 H148 Y557 F560 M561 L564 L585	F96-V144 HydrophobicContact CE2-CG2 4.05Å; I140-V144 HydrophobicContact CD1-CG2 4.4Å; I140-V144 HydrophobicContact CG1-CG2 4.12Å; I140-V144 WeakPolarHBondContact O-CB 3.49Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.32Å; V144-A146 VanDerWaalsContact C-N 3.27Å; V144-A146 PolarHBondContact O-N 3.45Å; V144-Q147 WeakPolarHBondContact O-CB 3.44Å; V144-Q147 PolarHBondContact O-N 3.45Å; V144-H148 PolarHBondContact O-CD2 2.88Å; V144-Y557 WeakPolarHBondContact CG1-OH 3.32Å; V144-F560 HydrophobicContact CG2-CE1 3.98Å; V144-F560 HydrophobicContact CG2-CZ 4.3Å; V144-M561 HydrophobicContact CG1-CE 3.61Å; V144-M561 HydrophobicContact CG1-SD 3.32Å; V144-M561 WeakPolarHBondContact CG1-SD 3.41Å; V144-L564 HydrophobicContact CB-CD2 4.48Å; V144-L564 HydrophobicContact CG1-CD2 4.42Å; V144-L564 HydrophobicContact CG2-CD2 4.24Å; V144-L585 HydrophobicContact CB-CD1 4.43Å; V144-L585 HydrophobicContact CG1-CD1 3.96Å
145	M	95	Very high	85.8	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-42.6	173.7	-173.2	72.6	-173.8	0	0	110.7	H141 Q147 H148 M149 L585 S588	H141-M145 WeakPolarHBondContact O-CA 3.45Å; H141-M145 WeakPolarHBondContact O-CB 3.42Å; H141-M145 PolarHBondContact O-N 2.77Å; M145-Q147 PolarHBondContact O-N 3.34Å; M145-H148 CarbonylContact O-C 3.51Å; M145-H148 WeakPolarHBondContact O-CA 3.38Å; M145-H148 PolarHBondContact O-N 2.92Å; M145-M149 HydrophobicContact CE-CE 3.68Å; M145-M149 HydrophobicContact CE-CG 3.76Å; M145-M149 HydrophobicContact CE-SD 3.76Å; M145-M149 HydrophobicContact CG-CG 3.97Å; M145-M149 HydrophobicContact CG-SD 3.89Å; M145-M149 WeakPolarHBondContact O-CG 3.45Å; M145-M149 PolarHBondContact O-N 2.97Å; M145-M149 HydrophobicContact SD-CG 4.49Å; M145-L585 HydrophobicContact CB-CD1 4.15Å; M145-L585 HydrophobicContact SD-CD1 4.04Å; M145-S588 WeakPolarHBondContact CE-OG 3.49Å
146	A	92.9	Very high	85.5	Confident	67 Å²	67	52.5 Å²	52.5	55%	0.554	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-26	177.2	0	0	0	0	0	113.5	N142 W143 V144 H148	N142-A146 PolarHBondContact O-N 2.81Å; N142-A146 VanDerWaalsContact O-N 3.12Å; W143-A146 WeakPolarHBondContact O-CB 3.5Å; W143-A146 PolarHBondContact O-N 2.83Å; V144-A146 VanDerWaalsContact C-N 3.27Å; V144-A146 PolarHBondContact O-N 3.45Å; A146-H148 PolarHBondContact O-N 3.37Å
147	Q	90.6	Very high	85.2	Confident	25 Å²	25	55.2 Å²	55.2	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-72.7	-17.6	173	-62.1	176.7	-50.3	0	0	112.9	W143 V144 M145 Y557	W143-Q147 PolarHBondContact O-N 2.84Å; V144-Q147 WeakPolarHBondContact O-CB 3.44Å; V144-Q147 PolarHBondContact O-N 3.45Å; M145-Q147 PolarHBondContact O-N 3.34Å; Q147-Y557 PolarHBondContact OE1-OH 3.31Å
148	H	89.4	Confident	84.9	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.014	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	12.8	-177.7	-59.3	-60.6	0	0	0	113.2	V144 M145 A146 Y557 F589 E592 T593	V144-H148 PolarHBondContact O-CD2 2.88Å; M145-H148 CarbonylContact O-C 3.51Å; M145-H148 WeakPolarHBondContact O-CA 3.38Å; M145-H148 PolarHBondContact O-N 2.92Å; A146-H148 PolarHBondContact O-N 3.37Å; H148-Y557 AromaticContact CE1-CE1 3.74Å; H148-Y557 PolarHBondContact CE1-OH 3.1Å; H148-Y557 AromaticContact NE2-CE1 3.6Å; H148-Y557 AromaticContact NE2-CZ 3.57Å; H148-Y557 PolarHBondContact NE2-OH 3.09Å; H148-F589 AromaticContact CE1-CD2 3.59Å; H148-F589 AromaticContact NE2-CD2 3.64Å; H148-E592 WeakPolarHBondContact O-CG 3.46Å; H148-T593 PolarHBondContact CE1-OG1 3.09Å; H148-T593 PolarHBondContact ND1-OG1 3.36Å
149	M	79.4	Confident	84.7	Confident	101 Å²	101	55.2 Å²	55.2	50%	0.498	30%	0.298	S	S	.	.	S	Bend	trans	-103.2	108.7	170	-68.5	-162.2	102.4	0	0	107.6	M145 S151	M145-M149 HydrophobicContact CE-CE 3.68Å; M145-M149 HydrophobicContact CE-CG 3.76Å; M145-M149 HydrophobicContact CE-SD 3.76Å; M145-M149 HydrophobicContact CG-CG 3.97Å; M145-M149 HydrophobicContact CG-SD 3.89Å; M145-M149 WeakPolarHBondContact O-CG 3.45Å; M145-M149 PolarHBondContact O-N 2.97Å; M145-M149 HydrophobicContact SD-CG 4.49Å; M149-S151 PolarHBondContact O-N 2.82Å
150	Q	62.8	Low	84.5	Confident	72 Å²	72	54 Å²	54	34%	0.336	29%	0.29	S	S	.	.			trans	-59.5	134.1	-172.7	-75.2	-175.2	2.6	0	0	113	E592	Q150-E592 VanDerWaalsContact CD-OE2 3.23Å; Q150-E592 PolarHBondContact NE2-OE2 3.32Å
151	S	51.3	Low	84.3	Confident	109 Å²	109	53.9 Å²	53.9	76%	0.762	29%	0.289	S	S	*	.	S	Bend	trans	-121	7.9	158.4	-133.9	0	0	0	0	111.6	M149	M149-S151 PolarHBondContact O-N 2.82Å
152	H	54.5	Low	84.1	Confident	101 Å²	101	56.5 Å²	56.5	47%	0.468	30%	0.301	S	S	.	.	S	Bend	trans	-136.6	166.6	-168.9	-59.2	-63.8	0	0	0	112.3	Q545	H152-Q545 PolarHBondContact CD2-OE1 3.17Å; H152-Q545 PolarHBondContact NE2-OE1 2.93Å
153	A	63.1	Low	83.8	Confident	78 Å²	78	56.9 Å²	56.9	65%	0.645	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-57.2	151.2	176.7	0	0	0	0	0	112.2
154	P	70.6	Confident	83.6	Confident	54 Å²	54	57.6 Å²	57.6	35%	0.351	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-51.7	142.3	178.7	3.5	-14	0	0	0	112.7	W633	P154-W633 HydrophobicContact CB-CH2 4.06Å; P154-W633 HydrophobicContact CB-CZ2 3.49Å; P154-W633 VanDerWaalsContact CB-CZ2 3.49Å; P154-W633 HydrophobicContact CG-CZ2 3.73Å
155	Y	87.3	Confident	83.4	Confident	40 Å²	40	59.4 Å²	59.4	16%	0.157	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-60.5	141.4	162.4	-62.9	-59.6	0	0	0	110.4	Y159 D549 I552 F553 E592 H596	Y155-Y159 AromaticContact CD1-CD1 3.75Å; Y155-Y159 HydrophobicContact CD1-CD1 3.75Å; Y155-Y159 AromaticContact CD1-CE1 3.62Å; Y155-Y159 HydrophobicContact CD1-CE1 3.62Å; Y155-Y159 HydrophobicContact CE1-CD1 4.49Å; Y155-Y159 HydrophobicContact CE1-CE1 4.01Å; Y155-Y159 HydrophobicContact CG-CD1 4.14Å; Y155-Y159 HydrophobicContact CG-CE1 4.44Å; Y155-D549 HydrophobicContact CE1-CB 4.37Å; Y155-D549 VanDerWaalsContact CE1-CG 3.48Å; Y155-D549 VanDerWaalsContact CE1-OD1 3.23Å; Y155-D549 WeakPolarHBondContact CE1-OD1 3.45Å; Y155-D549 PolarHBondContact OH-OD1 3.11Å; Y155-I552 WeakPolarHBondContact OH-CD1 3.49Å; Y155-F553 AromaticContact CD1-CE2 3.95Å; Y155-F553 HydrophobicContact CD1-CE2 3.95Å; Y155-F553 HydrophobicContact CD1-CZ 4.19Å; Y155-F553 AromaticContact CD2-CE2 3.91Å; Y155-F553 HydrophobicContact CD2-CE2 3.91Å; Y155-F553 AromaticContact CD2-CZ 3.67Å; Y155-F553 HydrophobicContact CD2-CZ 3.67Å; Y155-F553 AromaticContact CE1-CE2 3.82Å; Y155-F553 HydrophobicContact CE1-CE2 3.82Å; Y155-F553 HydrophobicContact CE1-CZ 4.45Å; Y155-F553 AromaticContact CE2-CE2 3.75Å; Y155-F553 HydrophobicContact CE2-CE2 3.75Å; Y155-F553 AromaticContact CE2-CZ 3.94Å; Y155-F553 HydrophobicContact CE2-CZ 3.94Å; Y155-F553 HydrophobicContact CG-CE2 4Å; Y155-F553 AromaticContact CG-CZ 3.8Å; Y155-F553 HydrophobicContact CG-CZ 3.8Å; Y155-F553 AromaticContact CZ-CE2 3.71Å; Y155-E592 WeakPolarHBondContact CD2-O 3.43Å; Y155-E592 WeakPolarHBondContact CE2-O 3.37Å; Y155-H596 PolarHBondContact O-CE1 3.33Å; Y155-H596 PolarHBondContact O-ND1 2.99Å
156	K	88.3	Confident	83.3	Confident	97 Å²	97	60.1 Å²	60.1	42%	0.422	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-58	155.5	170.4	-65.2	-179.1	-177	168.4	0	110.3	Y159 E769	K156-Y159 VanDerWaalsContact O-CB 3.3Å; K156-Y159 WeakPolarHBondContact O-CB 3.39Å; K156-E769 WeakPolarHBondContact CE-OE2 3.4Å; K156-E769 IonicContact NZ-OE2 3.93Å; K156-E769 PolarHBondContact NZ-OE2 3.4Å
157	W	90.3	Very high	83.1	Confident	57 Å²	57	58 Å²	58	22%	0.216	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	146.6	169.9	-62.8	110.8	0	0	0	109.4	Y159 I595 H596 Q637 C642 P643	W157-Y159 PolarHBondContact O-N 2.78Å; W157-I595 HydrophobicContact CH2-CD1 4.37Å; W157-I595 HydrophobicContact CZ3-CD1 4.29Å; W157-I595 HydrophobicContact CZ3-CG1 4.31Å; W157-H596 AromaticContact CE3-ND1 3.74Å; W157-H596 AromaticContact CH2-CE1 3.62Å; W157-H596 AromaticContact CZ3-CE1 3.65Å; W157-H596 AromaticContact CZ3-ND1 3.7Å; W157-Q637 WeakPolarHBondContact CZ2-O 3.38Å; W157-C642 HydrophobicContact CH2-CB 3.64Å; W157-C642 VanDerWaalsContact CH2-SG 3.58Å; W157-C642 HydrophobicContact CZ2-CB 3.47Å; W157-C642 VanDerWaalsContact CZ2-CB 3.47Å; W157-C642 HydrophobicContact CZ3-CB 4.24Å; W157-C642 VanDerWaalsContact CZ3-SG 3.54Å; W157-P643 HydrophobicContact CB-CG 4.05Å; W157-P643 VanDerWaalsContact CG-CD 3.44Å; W157-P643 HydrophobicContact CG-CG 3.94Å
158	D	91.1	Very high	82.9	Confident	76 Å²	76	65.2 Å²	65.2	41%	0.406	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	36	-177.7	-59.6	-37.9	0	0	0	114.3	H596 K598 K600	D158-H596 CarbonylContact C-O 3.36Å; D158-H596 WeakPolarHBondContact CA-O 3.37Å; D158-H596 PolarHBondContact N-O 3.12Å; D158-K598 HydrophobicContact CB-CB 4.38Å; D158-K598 HydrophobicContact CB-CG 4.31Å; D158-K598 WeakPolarHBondContact O-CB 3.39Å; D158-K600 IonicContact OD1-NZ 3.52Å; D158-K600 PolarHBondContact OD1-NZ 3.45Å
159	Y	92.8	Very high	82.8	Confident	40 Å²	40	66.1 Å²	66.1	16%	0.157	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-71.7	132.7	179.8	-176.5	-123.2	0	0	0	112.2	Y155 K156 W157 P161 D549 F553 H596 S597 K598	Y155-Y159 AromaticContact CD1-CD1 3.75Å; Y155-Y159 HydrophobicContact CD1-CD1 3.75Å; Y155-Y159 AromaticContact CD1-CE1 3.62Å; Y155-Y159 HydrophobicContact CD1-CE1 3.62Å; Y155-Y159 HydrophobicContact CE1-CD1 4.49Å; Y155-Y159 HydrophobicContact CE1-CE1 4.01Å; Y155-Y159 HydrophobicContact CG-CD1 4.14Å; Y155-Y159 HydrophobicContact CG-CE1 4.44Å; K156-Y159 VanDerWaalsContact O-CB 3.3Å; K156-Y159 WeakPolarHBondContact O-CB 3.39Å; W157-Y159 PolarHBondContact O-N 2.78Å; Y159-P161 HydrophobicContact CE1-CB 4.39Å; Y159-P161 HydrophobicContact CE1-CG 3.95Å; Y159-P161 HydrophobicContact CE2-CB 4.39Å; Y159-D549 HydrophobicContact CE1-CB 4.07Å; Y159-F553 HydrophobicContact CD1-CD1 4.2Å; Y159-F553 AromaticContact CD1-CD2 3.9Å; Y159-F553 HydrophobicContact CD1-CD2 3.9Å; Y159-F553 AromaticContact CD1-CE1 3.92Å; Y159-F553 HydrophobicContact CD1-CE1 3.92Å; Y159-F553 AromaticContact CD1-CE2 3.62Å; Y159-F553 HydrophobicContact CD1-CE2 3.62Å; Y159-F553 HydrophobicContact CD1-CG 4.2Å; Y159-F553 AromaticContact CD1-CZ 3.64Å; Y159-F553 HydrophobicContact CD1-CZ 3.64Å; Y159-F553 AromaticContact CE1-CD2 3.82Å; Y159-F553 HydrophobicContact CE1-CD2 3.82Å; Y159-F553 AromaticContact CE1-CE2 3.74Å; Y159-F553 HydrophobicContact CE1-CE2 3.74Å; Y159-F553 HydrophobicContact CE1-CG 4.42Å; Y159-F553 HydrophobicContact CE1-CZ 4.24Å; Y159-H596 PolarHBondContact N-O 3.24Å; Y159-S597 WeakPolarHBondContact O-CA 3.49Å; Y159-K598 PolarHBondContact O-N 2.96Å; Y159-K598 VanDerWaalsContact O-N 3.08Å
160	W	93.9	Very high	83.2	Confident	28 Å²	28	65.2 Å²	65.2	11%	0.106	34%	0.335	C	S	.	.			trans	-152.3	85.2	176.2	-162.9	-113.1	0	0	0	111.6	H162 E163 F553 H555 F558 S597 K598	W160-H162 PolarHBondContact O-N 2.91Å; W160-E163 PolarHBondContact O-N 2.86Å; W160-F553 HydrophobicContact CE3-CB 4.25Å; W160-F553 HydrophobicContact CE3-CD1 4.47Å; W160-F553 VanDerWaalsContact CH2-O 3.26Å; W160-F553 WeakPolarHBondContact CH2-O 3.42Å; W160-F553 HydrophobicContact CZ3-CB 4.3Å; W160-F553 VanDerWaalsContact CZ3-O 3.27Å; W160-F553 WeakPolarHBondContact CZ3-O 3.34Å; W160-H555 AromaticContact CH2-CD2 3.98Å; W160-H555 AromaticContact CH2-CE1 3.66Å; W160-H555 AromaticContact CH2-ND1 3.95Å; W160-H555 AromaticContact CH2-NE2 3.67Å; W160-H555 AromaticContact CZ2-CD2 3.87Å; W160-H555 AromaticContact CZ2-CE1 3.96Å; W160-H555 AromaticContact CZ2-NE2 3.52Å; W160-F558 HydrophobicContact CZ3-CE2 4.13Å; W160-F558 HydrophobicContact CZ3-CZ 4.28Å; W160-S597 VanDerWaalsContact CZ3-OG 3.28Å; W160-S597 WeakPolarHBondContact CZ3-OG 3.42Å; W160-K598 HydrophobicContact CB-CB 3.88Å; W160-K598 HydrophobicContact CB-CD 4.18Å
161	P	92.9	Very high	84.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-61.5	-14.6	-172.2	22.5	-34.1	0	0	0	114.6	Y159 E163 D164 V165 F546 D549 K550 F553	Y159-P161 HydrophobicContact CE1-CB 4.39Å; Y159-P161 HydrophobicContact CE1-CG 3.95Å; Y159-P161 HydrophobicContact CE2-CB 4.39Å; P161-E163 PolarHBondContact O-N 2.93Å; P161-D164 PolarHBondContact O-N 3.32Å; P161-D164 VanDerWaalsContact O-N 3.14Å; P161-V165 WeakPolarHBondContact O-CG2 3.2Å; P161-F546 HydrophobicContact CB-CD2 4.3Å; P161-F546 HydrophobicContact CB-CE2 3.73Å; P161-F546 HydrophobicContact CB-CZ 4.32Å; P161-F546 WeakPolarHBondContact O-CZ 3.49Å; P161-D549 HydrophobicContact CG-CB 4.41Å; P161-K550 HydrophobicContact CB-CB 4.43Å; P161-K550 HydrophobicContact CG-CB 4.38Å; P161-F553 HydrophobicContact CG-CB 3.78Å; P161-F553 HydrophobicContact CG-CD2 4.39Å; P161-F553 HydrophobicContact CG-CG 4.3Å
162	H	91.1	Very high	86.9	Confident	66 Å²	66	58 Å²	58	31%	0.306	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.9	-25	174.2	-75.7	-89.8	0	0	0	113.6	W160 D164 K550 F553	W160-H162 PolarHBondContact O-N 2.91Å; H162-D164 VanDerWaalsContact C-N 3.31Å; H162-K550 PolarHBondContact NE2-O 3.04Å; H162-F553 PolarHBondContact CD2-O 2.82Å; H162-F553 PolarHBondContact NE2-O 2.8Å
163	E	90.4	Very high	89	Confident	101 Å²	101	53.2 Å²	53.2	47%	0.472	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-76.7	-21.1	174.7	-76.7	173.9	-178.2	0	0	112.7	W160 P161 K598	W160-E163 PolarHBondContact O-N 2.86Å; P161-E163 PolarHBondContact O-N 2.93Å; E163-K598 IonicContact OE1-NZ 3.96Å; E163-K598 PolarHBondContact OE1-NZ 3.45Å; E163-K598 IonicContact OE2-NZ 3.69Å; E163-K598 PolarHBondContact OE2-NZ 3.39Å
164	D	91.9	Very high	90.6	Very high	79 Å²	79	49.6 Å²	49.6	42%	0.422	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-104.2	18.7	-176.3	-61.9	-48.2	0	0	0	112.8	P161 H162 C230 K231 F546	P161-D164 PolarHBondContact O-N 3.32Å; P161-D164 VanDerWaalsContact O-N 3.14Å; H162-D164 VanDerWaalsContact C-N 3.31Å; D164-C230 CarbonylContact O-C 3.53Å; D164-C230 VanDerWaalsContact O-CA 3.24Å; D164-C230 WeakPolarHBondContact O-CA 3.33Å; D164-K231 WeakPolarHBondContact O-CB 3.16Å; D164-K231 PolarHBondContact O-N 2.73Å; D164-F546 HydrophobicContact CB-CE2 4.19Å; D164-F546 HydrophobicContact CB-CZ 4.47Å; D164-F546 WeakPolarHBondContact O-CZ 3.4Å
165	V	92.1	Very high	91.9	Very high	37 Å²	37	49.1 Å²	49.1	22%	0.224	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-76.2	140.9	176.9	-179.4	0	0	0	0	110.5	P161 A167 K231 F546 K550	P161-V165 WeakPolarHBondContact O-CG2 3.2Å; V165-A167 PolarHBondContact O-N 3.14Å; V165-K231 WeakPolarHBondContact O-CB 3.22Å; V165-F546 HydrophobicContact CG2-CE1 4.34Å; V165-F546 HydrophobicContact CG2-CZ 4.05Å; V165-K550 HydrophobicContact CG2-CD 3.87Å
166	R	92.7	Very high	92.3	Very high	31 Å²	31	49.6 Å²	49.6	12%	0.117	24%	0.238	C	C	.	.			trans	-45.2	136.3	171.1	-171.9	-179.8	-165.9	153.5	-2.9	111.4	R170 V172 M226 S228 E229	R166-R170 VanDerWaalsContact NE-C 3.25Å; R166-R170 PolarHBondContact NE-O 3.21Å; R166-R170 PolarHBondContact NH2-O 2.95Å; R166-V172 HydrophobicContact CG-CG2 4.01Å; R166-M226 PolarHBondContact NH1-O 2.86Å; R166-M226 VanDerWaalsContact NH1-O 3.09Å; R166-M226 PolarHBondContact NH2-O 2.83Å; R166-S228 VanDerWaalsContact CD-O 3.3Å; R166-S228 WeakPolarHBondContact CD-O 3.33Å; R166-S228 PolarHBondContact NH1-O 2.87Å; R166-E229 WeakPolarHBondContact CB-O 3.13Å; R166-E229 PolarHBondContact N-O 2.91Å
167	A	89.2	Confident	92.5	Very high	23 Å²	23	46.4 Å²	46.4	19%	0.19	23%	0.226	C	C	.	.			trans	-57.9	151.6	-180	0	0	0	0	0	112.1	V165 C169 R170 V469	V165-A167 PolarHBondContact O-N 3.14Å; A167-C169 PolarHBondContact O-N 2.91Å; A167-C169 VanDerWaalsContact O-N 3.12Å; A167-R170 WeakPolarHBondContact O-CA 3.4Å; A167-R170 PolarHBondContact O-N 3.37Å; A167-V469 WeakPolarHBondContact CB-O 3.38Å
168	E	85.9	Confident	92.6	Very high	177 Å²	177	46.7 Å²	46.7	83%	0.827	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	179.5	-64.9	-178.4	172.8	0	0	113.2	R170	E168-R170 PolarHBondContact O-N 2.79Å; E168-R170 VanDerWaalsContact O-N 3.16Å
169	C	86.9	Confident	92.8	Very high	22 Å²	22	43.5 Å²	43.5	15%	0.149	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	0.8	173.4	62.5	0	0	0	0	113.9	A167 F171 Y462 P471	A167-C169 PolarHBondContact O-N 2.91Å; A167-C169 VanDerWaalsContact O-N 3.12Å; C169-F171 HydrophobicContact CB-CD2 4.22Å; C169-F171 WeakPolarHBondContact O-CD2 3.38Å; C169-F171 PolarHBondContact O-N 2.86Å; C169-Y462 HydrophobicContact CB-CD1 3.75Å; C169-Y462 HydrophobicContact CB-CE1 3.56Å; C169-P471 HydrophobicContact CB-CG 4.31Å
170	R	89.1	Confident	92.9	Very high	82 Å²	82	41.7 Å²	41.7	31%	0.309	22%	0.223	S	C	.	.	S	Bend	trans	58.1	25.1	-179.3	-56.9	-69.1	-65.9	173.4	3	113.4	R166 A167 E168 E229	R166-R170 VanDerWaalsContact NE-C 3.25Å; R166-R170 PolarHBondContact NE-O 3.21Å; R166-R170 PolarHBondContact NH2-O 2.95Å; A167-R170 WeakPolarHBondContact O-CA 3.4Å; A167-R170 PolarHBondContact O-N 3.37Å; E168-R170 PolarHBondContact O-N 2.79Å; E168-R170 VanDerWaalsContact O-N 3.16Å; R170-E229 IonicContact CZ-OE1 3.36Å; R170-E229 IonicContact CZ-OE2 2.83Å; R170-E229 IonicContact NH1-OE1 2.72Å; R170-E229 IonicContact NH1-OE2 2.81Å; R170-E229 PolarHBondContact NH1-OE2 3.47Å; R170-E229 IonicContact NH2-OE1 3.18Å; R170-E229 PolarHBondContact NH2-OE1 3.18Å; R170-E229 IonicContact NH2-OE2 3.14Å
171	F	94.6	Very high	93.1	Very high	27 Å²	27	40.6 Å²	40.6	12%	0.118	22%	0.22	C	C	.	.			trans	-102.5	153.1	165.8	-67.6	-68.2	0	0	0	110.5	C169 M192 D449 Y462 F464 V469	C169-F171 HydrophobicContact CB-CD2 4.22Å; C169-F171 WeakPolarHBondContact O-CD2 3.38Å; C169-F171 PolarHBondContact O-N 2.86Å; F171-M192 HydrophobicContact CD1-CE 4.44Å; F171-M192 HydrophobicContact CD1-SD 4.08Å; F171-M192 HydrophobicContact CE1-CE 3.65Å; F171-M192 HydrophobicContact CE1-SD 3.65Å; F171-M192 HydrophobicContact CZ-CE 3.76Å; F171-M192 HydrophobicContact CZ-SD 4.38Å; F171-D449 HydrophobicContact CZ-CB 4.46Å; F171-Y462 HydrophobicContact CD2-CD1 4.07Å; F171-Y462 HydrophobicContact CD2-CD2 4.24Å; F171-Y462 HydrophobicContact CD2-CE1 4.3Å; F171-Y462 HydrophobicContact CD2-CE2 4.46Å; F171-Y462 HydrophobicContact CD2-CG 4.04Å; F171-Y462 HydrophobicContact CE2-CD1 4.1Å; F171-Y462 AromaticContact CE2-CD2 3.65Å; F171-Y462 HydrophobicContact CE2-CD2 3.65Å; F171-Y462 HydrophobicContact CE2-CE1 4.03Å; F171-Y462 AromaticContact CE2-CE2 3.57Å; F171-Y462 HydrophobicContact CE2-CE2 3.57Å; F171-Y462 AromaticContact CE2-CG 3.91Å; F171-Y462 HydrophobicContact CE2-CG 3.91Å; F171-Y462 AromaticContact CE2-CZ 3.75Å; F171-Y462 HydrophobicContact CZ-CD2 4.44Å; F171-Y462 HydrophobicContact CZ-CE2 4.32Å; F171-F464 HydrophobicContact CB-CE1 3.99Å; F171-F464 HydrophobicContact CB-CZ 4.17Å; F171-F464 HydrophobicContact CD1-CE1 4.47Å; F171-F464 HydrophobicContact CD1-CZ 4.17Å; F171-F464 HydrophobicContact CD2-CZ 4.33Å; F171-F464 HydrophobicContact CG-CE1 4.24Å; F171-F464 AromaticContact CG-CZ 3.96Å; F171-F464 HydrophobicContact CG-CZ 3.96Å; F171-V469 HydrophobicContact CB-CB 4.2Å; F171-V469 HydrophobicContact CB-CG1 3.63Å; F171-V469 HydrophobicContact CB-CG2 4.44Å; F171-V469 HydrophobicContact CG-CG1 4.44Å
172	V	97	Very high	93.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.22	C	C	.	.			trans	-112.3	135.5	-178.8	-179	0	0	0	0	108.1	R166 Q188 Y224 L225 K231	R166-V172 HydrophobicContact CG-CG2 4.01Å; V172-Q188 PolarHBondContact O-NE2 3.4Å; V172-Y224 HydrophobicContact CG1-CD1 4.01Å; V172-Y224 HydrophobicContact CG1-CE1 3.92Å; V172-L225 HydrophobicContact CB-CD2 3.86Å; V172-L225 HydrophobicContact CG1-CD2 3.9Å; V172-L225 WeakPolarHBondContact O-CD2 3.38Å; V172-K231 WeakPolarHBondContact CG1-O 3.49Å
173	G	97.6	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-173.5	176.8	0	0	0	0	0	113.6	K231 A232 Y233 D466	G173-K231 PolarHBondContact N-O 3Å; G173-A232 VanDerWaalsContact O-CA 3.26Å; G173-A232 WeakPolarHBondContact O-CA 3.49Å; G173-Y233 PolarHBondContact O-N 2.93Å; G173-D466 CarbonylContact C-O 3.56Å; G173-D466 WeakPolarHBondContact CA-O 3.24Å
174	L	97.9	Very high	93.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.2	172.9	-73.2	165.5	0	0	0	109.6	N176 A184 I187 Q188 M221 L225 Y233 D466 A467	L174-N176 PolarHBondContact O-N 3.44Å; L174-A184 HydrophobicContact CB-CB 3.89Å; L174-A184 HydrophobicContact CD1-CB 4.16Å; L174-I187 HydrophobicContact CD1-CB 3.88Å; L174-I187 HydrophobicContact CD1-CG2 3.71Å; L174-Q188 HydrophobicContact CD1-CG 4.09Å; L174-M221 HydrophobicContact CD2-CG 4.2Å; L174-M221 HydrophobicContact CD2-SD 4.19Å; L174-L225 HydrophobicContact CD2-CD2 4.38Å; L174-L225 HydrophobicContact CG-CD2 4.45Å; L174-Y233 WeakPolarHBondContact CA-O 3.34Å; L174-Y233 HydrophobicContact CD2-CD1 3.8Å; L174-Y233 HydrophobicContact CD2-CG 4.31Å; L174-D466 PolarHBondContact N-O 3.36Å; L174-D466 CarbonylContact O-C 3.4Å; L174-D466 WeakPolarHBondContact O-CA 3.18Å; L174-D466 WeakPolarHBondContact O-CB 3.15Å; L174-A467 PolarHBondContact O-N 3.32Å
175	T	97.3	Very high	94.1	Very high	45 Å²	45	29.3 Å²	29.3	28%	0.276	17%	0.166	S	C	.	.			trans	-63.7	132.8	179	-54.3	0	0	0	0	110.2	Y233 P235	T175-Y233 PolarHBondContact N-O 3.35Å; T175-P235 VanDerWaalsContact O-CD 3.24Å; T175-P235 WeakPolarHBondContact O-CD 3.44Å; T175-P235 WeakPolarHBondContact O-CG 3.44Å
176	N	95.1	Very high	94.4	Very high	49 Å²	49	27.6 Å²	27.6	26%	0.262	16%	0.155	S	C	.	.			trans	-82.6	122.9	174.5	-169	-15.7	0	0	0	109.7	L174 G178 A179 T180 D466	L174-N176 PolarHBondContact O-N 3.44Å; N176-G178 VanDerWaalsContact C-N 3.26Å; N176-G178 PolarHBondContact O-N 3.45Å; N176-G178 PolarHBondContact OD1-N 2.96Å; N176-G178 VanDerWaalsContact OD1-N 3.16Å; N176-G178 PolarHBondContact OD1-O 3.04Å; N176-A179 PolarHBondContact OD1-N 3.14Å; N176-T180 PolarHBondContact OD1-N 3.46Å; N176-T180 VanDerWaalsContact OD1-N 3.13Å; N176-T180 PolarHBondContact OD1-OG1 3.35Å; N176-D466 HydrophobicContact CB-CB 4.06Å; N176-D466 VanDerWaalsContact CB-OD2 3.32Å; N176-D466 WeakPolarHBondContact CB-OD2 3.31Å; N176-D466 PolarHBondContact ND2-OD2 3.49Å
177	L	93.8	Very high	94.7	Very high	31 Å²	31	26.1 Å²	26.1	16%	0.162	15%	0.15	C	C	.	.			trans	-93.7	27.2	-177.2	-56.3	176.2	0	0	0	112.4	T180 P235 R236 T251	L177-T180 HydrophobicContact CB-CG2 3.96Å; L177-T180 PolarHBondContact N-OG1 3.16Å; L177-P235 HydrophobicContact CD1-CG 3.87Å; L177-P235 HydrophobicContact CG-CG 4.13Å; L177-R236 HydrophobicContact CD1-CB 3.7Å; L177-R236 HydrophobicContact CD1-CG 4.25Å; L177-R236 HydrophobicContact CD2-CB 4.47Å; L177-T251 HydrophobicContact CB-CG2 3.91Å; L177-T251 HydrophobicContact CD1-CG2 3.75Å; L177-T251 WeakPolarHBondContact O-CB 3.48Å
178	G	91.9	Very high	95.1	Very high	62 Å²	62	25.2 Å²	25.2	64%	0.639	14%	0.142	S	C	*	.	S	Bend	trans	115.5	-71.5	-175	0	0	0	0	0	111.9	N176	N176-G178 VanDerWaalsContact C-N 3.26Å; N176-G178 PolarHBondContact O-N 3.45Å; N176-G178 PolarHBondContact OD1-N 2.96Å; N176-G178 VanDerWaalsContact OD1-N 3.16Å; N176-G178 PolarHBondContact OD1-O 3.04Å
179	A	94.1	Very high	95.6	Very high	10 Å²	10	17 Å²	17	8%	0.083	10%	0.103	C	C	.	.	S	Bend	trans	-124.9	25.6	-174.9	0	0	0	0	0	113.6	N176 Y182 T251 Q254	N176-A179 PolarHBondContact OD1-N 3.14Å; A179-Y182 VanDerWaalsContact O-CD1 3.3Å; A179-Y182 WeakPolarHBondContact O-CD1 3.43Å; A179-Y182 WeakPolarHBondContact O-CE1 3.23Å; A179-T251 WeakPolarHBondContact CB-O 3.35Å; A179-T251 PolarHBondContact N-O 3.31Å; A179-Q254 HydrophobicContact CB-CG 3.87Å
180	T	96.6	Very high	96.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.098	C	C	.	.			trans	-97.9	15.4	-170.2	60.7	0	0	0	0	115	N176 L177 Y182 L183 A184 T251	N176-T180 PolarHBondContact OD1-N 3.46Å; N176-T180 VanDerWaalsContact OD1-N 3.13Å; N176-T180 PolarHBondContact OD1-OG1 3.35Å; L177-T180 HydrophobicContact CB-CG2 3.96Å; L177-T180 PolarHBondContact N-OG1 3.16Å; T180-Y182 VanDerWaalsContact C-N 3.28Å; T180-Y182 PolarHBondContact O-N 2.8Å; T180-L183 WeakPolarHBondContact O-CB 3.29Å; T180-L183 PolarHBondContact O-N 3.21Å; T180-L183 VanDerWaalsContact O-N 3.07Å; T180-A184 PolarHBondContact O-N 3.33Å; T180-A184 VanDerWaalsContact O-N 3.08Å; T180-T251 HydrophobicContact CG2-CG2 4.06Å
181	C	96.6	Very high	96.4	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.034	9%	0.085	C	C	.	.	H	α-helix	trans	-64.1	-28.2	-177.7	58.7	0	0	0	0	113.9	L183 A184 S185 H442 Y443	C181-L183 VanDerWaalsContact C-N 3.3Å; C181-L183 PolarHBondContact O-N 3.17Å; C181-A184 PolarHBondContact O-N 3.43Å; C181-S185 WeakPolarHBondContact O-CB 3.43Å; C181-S185 PolarHBondContact O-N 3.3Å; C181-S185 PolarHBondContact O-OG 2.93Å; C181-H442 WeakPolarHBondContact CB-CE1 3.46Å; C181-H442 VanDerWaalsContact CB-ND1 3.28Å; C181-H442 WeakPolarHBondContact CB-ND1 3.48Å; C181-H442 PolarHBondContact SG-ND1 3.19Å; C181-H442 VanDerWaalsContact SG-ND1 3.36Å; C181-Y443 PolarHBondContact SG-N 2.97Å; C181-Y443 VanDerWaalsContact SG-N 3.38Å
182	Y	96.4	Very high	96.5	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-39.7	172.1	66.8	-93.3	0	0	0	111.6	A179 T180 T186 K255 F260	A179-Y182 VanDerWaalsContact O-CD1 3.3Å; A179-Y182 WeakPolarHBondContact O-CD1 3.43Å; A179-Y182 WeakPolarHBondContact O-CE1 3.23Å; T180-Y182 VanDerWaalsContact C-N 3.28Å; T180-Y182 PolarHBondContact O-N 2.8Å; Y182-T186 VanDerWaalsContact O-CB 3.31Å; Y182-T186 WeakPolarHBondContact O-CB 3.36Å; Y182-T186 PolarHBondContact O-N 3.34Å; Y182-T186 PolarHBondContact O-OG1 3.42Å; Y182-K255 HydrophobicContact CD1-CB 4.03Å; Y182-K255 HydrophobicContact CD2-CB 4.13Å; Y182-K255 HydrophobicContact CE1-CB 3.78Å; Y182-K255 HydrophobicContact CE1-CG 4.06Å; Y182-K255 HydrophobicContact CE2-CB 3.92Å; Y182-K255 HydrophobicContact CE2-CD 4.26Å; Y182-K255 HydrophobicContact CE2-CG 4.38Å; Y182-K255 HydrophobicContact CG-CB 4.2Å; Y182-F260 HydrophobicContact CD2-CB 3.84Å; Y182-F260 AromaticContact CD2-CD1 3.95Å; Y182-F260 HydrophobicContact CD2-CD1 3.95Å; Y182-F260 HydrophobicContact CD2-CD2 4.11Å; Y182-F260 AromaticContact CD2-CG 3.68Å; Y182-F260 HydrophobicContact CD2-CG 3.68Å; Y182-F260 HydrophobicContact CE2-CB 4.19Å; Y182-F260 HydrophobicContact CE2-CD1 4.3Å; Y182-F260 AromaticContact CE2-CD2 3.71Å; Y182-F260 HydrophobicContact CE2-CD2 3.71Å; Y182-F260 HydrophobicContact CE2-CE2 4.16Å; Y182-F260 AromaticContact CE2-CG 3.79Å; Y182-F260 HydrophobicContact CE2-CG 3.79Å
183	L	97.2	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.1	-47	177	173.6	149.4	0	0	0	109.9	T180 C181 S185 T186 I187 P235 F238 L249 F260	T180-L183 WeakPolarHBondContact O-CB 3.29Å; T180-L183 PolarHBondContact O-N 3.21Å; T180-L183 VanDerWaalsContact O-N 3.07Å; C181-L183 VanDerWaalsContact C-N 3.3Å; C181-L183 PolarHBondContact O-N 3.17Å; L183-S185 PolarHBondContact O-N 3.48Å; L183-T186 PolarHBondContact O-N 3.44Å; L183-I187 HydrophobicContact CD2-CG1 4.29Å; L183-I187 HydrophobicContact CG-CG1 4.28Å; L183-I187 WeakPolarHBondContact O-CB 2.72Å; L183-I187 VanDerWaalsContact O-CG1 3.3Å; L183-I187 WeakPolarHBondContact O-CG1 3.15Å; L183-I187 PolarHBondContact O-N 2.97Å; L183-P235 HydrophobicContact CD2-CB 3.93Å; L183-P235 HydrophobicContact CD2-CG 4.27Å; L183-F238 HydrophobicContact CD1-CD1 3.76Å; L183-F238 HydrophobicContact CD1-CE1 3.69Å; L183-L249 HydrophobicContact CD1-CD1 3.79Å; L183-F260 HydrophobicContact CB-CE1 4.09Å; L183-F260 HydrophobicContact CB-CZ 4.14Å; L183-F260 HydrophobicContact CD1-CE2 4.35Å; L183-F260 HydrophobicContact CD1-CZ 3.8Å; L183-F260 HydrophobicContact CG-CE1 4.16Å; L183-F260 HydrophobicContact CG-CZ 3.94Å
184	A	97.6	Very high	96.1	Very high	4 Å²	4	11.7 Å²	11.7	3%	0.033	8%	0.08	C	C	.	.	H	α-helix	trans	-56.5	-50.4	178.9	0	0	0	0	0	111.5	L174 T180 C181 T186 I187 Q188	L174-A184 HydrophobicContact CB-CB 3.89Å; L174-A184 HydrophobicContact CD1-CB 4.16Å; T180-A184 PolarHBondContact O-N 3.33Å; T180-A184 VanDerWaalsContact O-N 3.08Å; C181-A184 PolarHBondContact O-N 3.43Å; A184-T186 PolarHBondContact O-N 2.99Å; A184-I187 PolarHBondContact O-N 2.98Å; A184-Q188 WeakPolarHBondContact O-CB 3.29Å; A184-Q188 WeakPolarHBondContact O-CG 3.24Å; A184-Q188 PolarHBondContact O-N 3.41Å
185	S	97.7	Very high	95.8	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-44.4	177.5	-71	0	0	0	0	112.5	C181 L183 Q189 Y443 Y444 S445	C181-S185 WeakPolarHBondContact O-CB 3.43Å; C181-S185 PolarHBondContact O-N 3.3Å; C181-S185 PolarHBondContact O-OG 2.93Å; L183-S185 PolarHBondContact O-N 3.48Å; S185-Q189 WeakPolarHBondContact O-CG 3.38Å; S185-Q189 PolarHBondContact O-N 3.42Å; S185-Q189 VanDerWaalsContact O-N 3.08Å; S185-Y443 PolarHBondContact OG-O 3.02Å; S185-Y444 WeakPolarHBondContact OG-CA 3.25Å; S185-Y444 PolarHBondContact OG-N 3.36Å; S185-S445 WeakPolarHBondContact CB-OG 3.47Å; S185-S445 PolarHBondContact OG-OG 3.47Å
186	T	97.8	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-47.7	179.9	-60.6	0	0	0	0	112	Y182 L183 A184 Q189 L190 M257 F260 F261 L264	Y182-T186 VanDerWaalsContact O-CB 3.31Å; Y182-T186 WeakPolarHBondContact O-CB 3.36Å; Y182-T186 PolarHBondContact O-N 3.34Å; Y182-T186 PolarHBondContact O-OG1 3.42Å; L183-T186 PolarHBondContact O-N 3.44Å; A184-T186 PolarHBondContact O-N 2.99Å; T186-Q189 PolarHBondContact O-N 2.78Å; T186-L190 PolarHBondContact O-N 2.85Å; T186-M257 WeakPolarHBondContact OG1-CE 3.48Å; T186-M257 WeakPolarHBondContact OG1-CG 3.5Å; T186-F260 HydrophobicContact CG2-CD1 3.74Å; T186-F260 HydrophobicContact CG2-CE1 3.81Å; T186-F261 HydrophobicContact CG2-CB 4.01Å; T186-F261 HydrophobicContact CG2-CD2 3.96Å; T186-F261 HydrophobicContact CG2-CG 4.49Å; T186-L264 HydrophobicContact CG2-CD2 3.85Å
187	I	98	Very high	95.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-44.2	-179	-70.2	-63.5	0	0	0	110.9	L174 L183 A184 Q189 L190 Y191 L218 M221 F222 L225 L264	L174-I187 HydrophobicContact CD1-CB 3.88Å; L174-I187 HydrophobicContact CD1-CG2 3.71Å; L183-I187 HydrophobicContact CD2-CG1 4.29Å; L183-I187 HydrophobicContact CG-CG1 4.28Å; L183-I187 WeakPolarHBondContact O-CB 2.72Å; L183-I187 VanDerWaalsContact O-CG1 3.3Å; L183-I187 WeakPolarHBondContact O-CG1 3.15Å; L183-I187 PolarHBondContact O-N 2.97Å; A184-I187 PolarHBondContact O-N 2.98Å; I187-Q189 PolarHBondContact O-N 2.68Å; I187-L190 PolarHBondContact O-N 3.33Å; I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.41Å; I187-Y191 PolarHBondContact O-N 3.18Å; I187-L218 HydrophobicContact CD1-CD1 3.76Å; I187-M221 HydrophobicContact CB-SD 4.42Å; I187-M221 HydrophobicContact CD1-SD 4.3Å; I187-M221 HydrophobicContact CG1-SD 4.12Å; I187-M221 HydrophobicContact CG2-SD 3.59Å; I187-M221 VanDerWaalsContact CG2-SD 3.59Å; I187-F222 HydrophobicContact CG2-CE1 4.07Å; I187-L225 HydrophobicContact CG2-CD1 4.25Å; I187-L264 HydrophobicContact CD1-CD2 3.93Å
188	Q	97.6	Very high	95.5	Very high	5 Å²	5	11 Å²	11	2%	0.023	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-42	179.6	-68.7	-72.6	4.4	0	0	111.6	V172 L174 A184 L190 Y191 M192 I447 F464	V172-Q188 PolarHBondContact O-NE2 3.4Å; L174-Q188 HydrophobicContact CD1-CG 4.09Å; A184-Q188 WeakPolarHBondContact O-CB 3.29Å; A184-Q188 WeakPolarHBondContact O-CG 3.24Å; A184-Q188 PolarHBondContact O-N 3.41Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.47Å; Q188-Y191 PolarHBondContact O-N 3.05Å; Q188-M192 WeakPolarHBondContact O-CB 3.26Å; Q188-M192 VanDerWaalsContact O-CG 3.23Å; Q188-M192 WeakPolarHBondContact O-CG 3.36Å; Q188-M192 PolarHBondContact O-N 3.37Å; Q188-I447 HydrophobicContact CB-CD1 3.94Å; Q188-F464 HydrophobicContact CB-CB 4.46Å; Q188-F464 HydrophobicContact CB-CD1 4.14Å; Q188-F464 HydrophobicContact CB-CG 4.37Å; Q188-F464 HydrophobicContact CG-CB 4.42Å; Q188-F464 HydrophobicContact CG-CD1 3.91Å; Q188-F464 HydrophobicContact CG-CG 4.45Å
189	Q	97.2	Very high	95.5	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-59	-44.6	174	-68.1	-72.8	1.9	0	0	111.6	S185 T186 I187 I193 T432 S445 I447 F513	S185-Q189 WeakPolarHBondContact O-CG 3.38Å; S185-Q189 PolarHBondContact O-N 3.42Å; S185-Q189 VanDerWaalsContact O-N 3.08Å; T186-Q189 PolarHBondContact O-N 2.78Å; I187-Q189 PolarHBondContact O-N 2.68Å; Q189-I193 WeakPolarHBondContact O-CG1 3.25Å; Q189-T432 PolarHBondContact NE2-OG1 3.14Å; Q189-S445 PolarHBondContact NE2-OG 3.06Å; Q189-I447 HydrophobicContact CG-CD1 4.25Å; Q189-F513 HydrophobicContact CB-CD2 4.43Å; Q189-F513 HydrophobicContact CB-CE1 4.5Å; Q189-F513 HydrophobicContact CB-CE2 3.95Å; Q189-F513 HydrophobicContact CB-CZ 3.97Å; Q189-F513 HydrophobicContact CG-CD2 4.09Å; Q189-F513 HydrophobicContact CG-CE2 3.57Å; Q189-F513 HydrophobicContact CG-CZ 4.05Å
190	L	96.8	Very high	95.5	Very high	6 Å²	6	8.4 Å²	8.4	3%	0.031	4%	0.044	C	C	.	.	H	α-helix	trans	-67.9	-43.3	178.2	-174.8	62.9	0	0	0	112.4	T186 I187 Q188 M192 I193 A196 F222 L264 I265 F283	T186-L190 PolarHBondContact O-N 2.85Å; I187-L190 PolarHBondContact O-N 3.33Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.47Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 2.79Å; L190-I193 WeakPolarHBondContact O-CB 3.43Å; L190-I193 PolarHBondContact O-N 3.44Å; L190-A196 HydrophobicContact CD1-CB 3.61Å; L190-A196 HydrophobicContact CG-CB 4.31Å; L190-F222 HydrophobicContact CD2-CZ 4.22Å; L190-F222 HydrophobicContact CG-CZ 4.24Å; L190-L264 HydrophobicContact CD2-CD2 4.14Å; L190-I265 HydrophobicContact CD1-CD1 4.13Å; L190-F283 HydrophobicContact CD1-CE2 4.07Å; L190-F283 HydrophobicContact CD1-CZ 3.85Å
191	Y	96.8	Very high	95.3	Very high	9 Å²	9	9 Å²	9	4%	0.035	5%	0.046	C	C	.	.	H	α-helix	trans	-62.8	-36.2	-178.7	174.2	-97.8	0	0	0	112.6	I187 Q188 I193 R197 F222 L225 M226	I187-Y191 VanDerWaalsContact O-CB 3.23Å; I187-Y191 WeakPolarHBondContact O-CB 3.41Å; I187-Y191 PolarHBondContact O-N 3.18Å; Q188-Y191 PolarHBondContact O-N 3.05Å; Y191-I193 PolarHBondContact O-N 3.25Å; Y191-R197 HydrophobicContact CD2-CG 4.26Å; Y191-R197 VanDerWaalsContact CE1-NH1 3.31Å; Y191-R197 HydrophobicContact CE2-CG 4.18Å; Y191-R197 PolarHBondContact OH-NH1 3.48Å; Y191-F222 HydrophobicContact CD2-CB 4.16Å; Y191-F222 AromaticContact CD2-CD1 3.99Å; Y191-F222 HydrophobicContact CD2-CD1 3.99Å; Y191-F222 AromaticContact CD2-CD2 3.99Å; Y191-F222 HydrophobicContact CD2-CD2 3.99Å; Y191-F222 HydrophobicContact CD2-CE1 4.37Å; Y191-F222 HydrophobicContact CD2-CE2 4.36Å; Y191-F222 AromaticContact CD2-CG 3.78Å; Y191-F222 HydrophobicContact CD2-CG 3.78Å; Y191-F222 HydrophobicContact CE2-CB 4.25Å; Y191-F222 HydrophobicContact CE2-CG 4.36Å; Y191-F222 WeakPolarHBondContact CE2-O 3.5Å; Y191-L225 HydrophobicContact CD1-CB 4.45Å; Y191-L225 HydrophobicContact CD1-CD1 4.29Å; Y191-L225 HydrophobicContact CD2-CB 4.14Å; Y191-L225 HydrophobicContact CD2-CD1 3.91Å; Y191-L225 HydrophobicContact CE1-CB 4.06Å; Y191-L225 HydrophobicContact CE2-CB 3.69Å; Y191-L225 HydrophobicContact CE2-CD1 4.33Å; Y191-L225 HydrophobicContact CG-CB 4.49Å; Y191-L225 HydrophobicContact CG-CD1 3.88Å; Y191-L225 PolarHBondContact OH-O 2.91Å; Y191-M226 WeakPolarHBondContact OH-CA 3.39Å; Y191-M226 WeakPolarHBondContact OH-CB 3.46Å; Y191-M226 PolarHBondContact OH-N 3.41Å
192	M	95.2	Very high	95	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.02	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.1	179.6	-69.1	-64	-72.6	0	0	113.5	F171 Q188 L190 P194 I447 F464	F171-M192 HydrophobicContact CD1-CE 4.44Å; F171-M192 HydrophobicContact CD1-SD 4.08Å; F171-M192 HydrophobicContact CE1-CE 3.65Å; F171-M192 HydrophobicContact CE1-SD 3.65Å; F171-M192 HydrophobicContact CZ-CE 3.76Å; F171-M192 HydrophobicContact CZ-SD 4.38Å; Q188-M192 WeakPolarHBondContact O-CB 3.26Å; Q188-M192 VanDerWaalsContact O-CG 3.23Å; Q188-M192 WeakPolarHBondContact O-CG 3.36Å; Q188-M192 PolarHBondContact O-N 3.37Å; L190-M192 VanDerWaalsContact C-N 3.3Å; L190-M192 PolarHBondContact O-N 2.79Å; M192-P194 WeakPolarHBondContact O-CD 3.39Å; M192-I447 HydrophobicContact CB-CD1 4.44Å; M192-I447 HydrophobicContact CB-CG2 3.64Å; M192-I447 HydrophobicContact CE-CG2 4.31Å; M192-I447 HydrophobicContact CG-CB 4.47Å; M192-I447 HydrophobicContact CG-CD1 3.95Å; M192-I447 HydrophobicContact CG-CG2 3.86Å; M192-F464 HydrophobicContact CE-CZ 4.25Å; M192-F464 HydrophobicContact CG-CZ 4.27Å; M192-F464 HydrophobicContact SD-CZ 4.09Å
193	I	94.7	Very high	94.7	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.015	7%	0.066	C	C	.	.	S	Bend	trans	-88.8	108.3	170.2	-61.2	164.2	0	0	0	108.3	Q189 L190 Y191 E195 A196 R197 F283 I361 I429	Q189-I193 WeakPolarHBondContact O-CG1 3.25Å; L190-I193 WeakPolarHBondContact O-CB 3.43Å; L190-I193 PolarHBondContact O-N 3.44Å; Y191-I193 PolarHBondContact O-N 3.25Å; I193-E195 VanDerWaalsContact C-N 3.31Å; I193-E195 PolarHBondContact O-N 2.97Å; I193-A196 HydrophobicContact CB-CB 4.05Å; I193-A196 HydrophobicContact CG2-CB 3.97Å; I193-A196 PolarHBondContact O-N 3.21Å; I193-A196 VanDerWaalsContact O-N 3.14Å; I193-R197 PolarHBondContact O-N 2.96Å; I193-F283 HydrophobicContact CD1-CE1 4.02Å; I193-F283 HydrophobicContact CD1-CZ 3.82Å; I193-I361 HydrophobicContact CD1-CG1 4.3Å; I193-I361 HydrophobicContact CD1-CG2 4.14Å; I193-I361 HydrophobicContact CG2-CD1 4.34Å; I193-I361 HydrophobicContact CG2-CG1 4.28Å; I193-I429 HydrophobicContact CG1-CD1 4.15Å
194	P	92.1	Very high	94.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-33.8	-169.7	23.8	-32	0	0	0	113.2	M192 R197 Q198 V451 Y527 F529	M192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-R197 PolarHBondContact O-N 3.05Å; P194-Q198 WeakPolarHBondContact O-CB 3.29Å; P194-Q198 PolarHBondContact O-N 2.95Å; P194-V451 HydrophobicContact CB-CG2 4.1Å; P194-V451 HydrophobicContact CG-CG2 4.23Å; P194-Y527 HydrophobicContact CB-CD1 3.61Å; P194-Y527 HydrophobicContact CB-CD2 3.96Å; P194-Y527 HydrophobicContact CB-CE1 3.62Å; P194-Y527 HydrophobicContact CB-CE2 3.99Å; P194-Y527 HydrophobicContact CB-CG 3.77Å; P194-Y527 HydrophobicContact CG-CD1 4.17Å; P194-Y527 HydrophobicContact CG-CD2 4.12Å; P194-Y527 HydrophobicContact CG-CE1 3.68Å; P194-Y527 HydrophobicContact CG-CE2 3.64Å; P194-Y527 HydrophobicContact CG-CG 4.35Å; P194-F529 HydrophobicContact CB-CE1 4.23Å; P194-F529 HydrophobicContact CB-CZ 3.9Å
195	E	92	Very high	93.5	Very high	37 Å²	37	25 Å²	25	17%	0.173	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-39.8	177.1	-59.6	83.8	177.3	0	0	111.7	I193 A199 L282 K515 Y527	I193-E195 VanDerWaalsContact C-N 3.31Å; I193-E195 PolarHBondContact O-N 2.97Å; E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.36Å; E195-A199 VanDerWaalsContact O-N 3.14Å; E195-L282 HydrophobicContact CB-CD1 3.89Å; E195-L282 HydrophobicContact CB-CD2 3.77Å; E195-L282 HydrophobicContact CB-CG 4.42Å; E195-L282 HydrophobicContact CG-CD2 4.26Å; E195-K515 IonicContact OE1-NZ 2.79Å; E195-K515 PolarHBondContact OE1-NZ 3.09Å; E195-K515 IonicContact OE2-NZ 3.15Å; E195-Y527 PolarHBondContact OE1-OH 2.94Å
196	A	92.9	Very high	92.6	Very high	7 Å²	7	27.6 Å²	27.6	6%	0.058	14%	0.138	C	C	.	.	H	α-helix	trans	-68.7	-44.5	176	0	0	0	0	0	110.9	L190 I193 Q198 A199 V200 L282	L190-A196 HydrophobicContact CD1-CB 3.61Å; L190-A196 HydrophobicContact CG-CB 4.31Å; I193-A196 HydrophobicContact CB-CB 4.05Å; I193-A196 HydrophobicContact CG2-CB 3.97Å; I193-A196 PolarHBondContact O-N 3.21Å; I193-A196 VanDerWaalsContact O-N 3.14Å; A196-Q198 PolarHBondContact O-N 3.2Å; A196-A199 PolarHBondContact O-N 3.24Å; A196-V200 WeakPolarHBondContact O-CG2 3.29Å; A196-V200 PolarHBondContact O-N 3.03Å; A196-L282 HydrophobicContact CB-CD1 3.98Å
197	R	93.1	Very high	91.4	Very high	17 Å²	17	35 Å²	35	6%	0.064	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-47.9	176	-178.3	167.3	69.4	-165.8	0.8	112.3	Y191 I193 P194 A199 V200 F201 F222 F529	Y191-R197 HydrophobicContact CD2-CG 4.26Å; Y191-R197 VanDerWaalsContact CE1-NH1 3.31Å; Y191-R197 HydrophobicContact CE2-CG 4.18Å; Y191-R197 PolarHBondContact OH-NH1 3.48Å; I193-R197 PolarHBondContact O-N 2.96Å; P194-R197 PolarHBondContact O-N 3.05Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 3.29Å; R197-V200 PolarHBondContact O-N 3.03Å; R197-F201 HydrophobicContact CG-CD2 3.86Å; R197-F201 HydrophobicContact CG-CE2 3.38Å; R197-F201 HydrophobicContact CG-CZ 4.07Å; R197-F201 VanDerWaalsContact O-CD2 3.31Å; R197-F201 WeakPolarHBondContact O-CD2 3.28Å; R197-F201 PolarHBondContact O-N 2.74Å; R197-F201 VanDerWaalsContact O-N 3.09Å; R197-F222 HydrophobicContact CB-CD2 4.45Å; R197-F222 HydrophobicContact CB-CE2 4.46Å; R197-F222 HydrophobicContact CG-CD2 4.1Å; R197-F529 HydrophobicContact CB-CE1 4.18Å; R197-F529 HydrophobicContact CG-CD1 4.08Å; R197-F529 HydrophobicContact CG-CE1 4.06Å; R197-F529 VanDerWaalsContact NE-CZ 3.27Å
198	Q	92.4	Very high	90.5	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.6	178.4	-179.6	61.1	12.6	0	0	112.4	P194 A196 F201 T202 F529	P194-Q198 WeakPolarHBondContact O-CB 3.29Å; P194-Q198 PolarHBondContact O-N 2.95Å; A196-Q198 PolarHBondContact O-N 3.2Å; Q198-F201 PolarHBondContact O-N 2.76Å; Q198-T202 PolarHBondContact O-N 3.03Å; Q198-T202 PolarHBondContact O-OG1 2.9Å; Q198-F529 HydrophobicContact CB-CD1 4.2Å; Q198-F529 HydrophobicContact CB-CE1 4.26Å; Q198-F529 VanDerWaalsContact OE1-CA 3.25Å
199	A	92.7	Very high	89.9	Confident	13 Å²	13	43.4 Å²	43.4	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-39.6	179	0	0	0	0	0	112	E195 A196 R197 A203 L275 T278	E195-A199 WeakPolarHBondContact O-CB 3.35Å; E195-A199 PolarHBondContact O-N 3.36Å; E195-A199 VanDerWaalsContact O-N 3.14Å; A196-A199 PolarHBondContact O-N 3.24Å; R197-A199 VanDerWaalsContact C-N 3.33Å; R197-A199 PolarHBondContact O-N 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.5Å; A199-A203 PolarHBondContact O-N 3.24Å; A199-A203 VanDerWaalsContact O-N 3.12Å; A199-L275 HydrophobicContact CB-CD2 3.98Å; A199-T278 HydrophobicContact CB-CG2 3.62Å
200	V	93.6	Very high	89.2	Confident	4 Å²	4	49 Å²	49	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-47.1	173.3	171.3	0	0	0	0	110.8	A196 R197 T202 A203 L218 Q219 F222	A196-V200 WeakPolarHBondContact O-CG2 3.29Å; A196-V200 PolarHBondContact O-N 3.03Å; R197-V200 PolarHBondContact O-N 3.03Å; V200-T202 PolarHBondContact O-N 3.22Å; V200-A203 PolarHBondContact O-N 3.39Å; V200-L218 HydrophobicContact CG1-CD2 4.04Å; V200-L218 HydrophobicContact CG1-CG 3.96Å; V200-L218 HydrophobicContact CG2-CD2 3.98Å; V200-Q219 HydrophobicContact CG1-CG 3.89Å; V200-Q219 WeakPolarHBondContact O-CG 3.49Å; V200-Q219 PolarHBondContact O-NE2 3.4Å; V200-F222 HydrophobicContact CB-CD2 3.86Å; V200-F222 HydrophobicContact CB-CE2 3.87Å; V200-F222 HydrophobicContact CG1-CD2 3.73Å; V200-F222 HydrophobicContact CG1-CE2 4.04Å; V200-F222 HydrophobicContact CG1-CG 4.26Å; V200-F222 HydrophobicContact CG2-CD2 4.28Å; V200-F222 HydrophobicContact CG2-CE2 3.78Å; V200-F222 HydrophobicContact CG2-CZ 4.43Å
201	F	92.6	Very high	88.8	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.057	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-37.5	-179.3	-71	-44.5	0	0	0	114.2	R197 Q198 F222 M226 F529 D530 V531	R197-F201 HydrophobicContact CG-CD2 3.86Å; R197-F201 HydrophobicContact CG-CE2 3.38Å; R197-F201 HydrophobicContact CG-CZ 4.07Å; R197-F201 VanDerWaalsContact O-CD2 3.31Å; R197-F201 WeakPolarHBondContact O-CD2 3.28Å; R197-F201 PolarHBondContact O-N 2.74Å; R197-F201 VanDerWaalsContact O-N 3.09Å; Q198-F201 PolarHBondContact O-N 2.76Å; F201-F222 HydrophobicContact CD1-CB 4.34Å; F201-F222 HydrophobicContact CE1-CB 3.51Å; F201-F222 HydrophobicContact CZ-CB 3.78Å; F201-M226 HydrophobicContact CE2-SD 3.96Å; F201-M226 HydrophobicContact CZ-SD 4.07Å; F201-F529 HydrophobicContact CD2-CB 4Å; F201-F529 HydrophobicContact CD2-CD1 4.07Å; F201-F529 HydrophobicContact CD2-CG 4.36Å; F201-F529 HydrophobicContact CE2-CB 4.03Å; F201-F529 HydrophobicContact CE2-CD1 4.15Å; F201-F529 HydrophobicContact CE2-CG 4.21Å; F201-D530 WeakPolarHBondContact CB-O 3.3Å; F201-V531 HydrophobicContact CB-CG2 4.38Å; F201-V531 HydrophobicContact CD1-CG1 4.42Å; F201-V531 HydrophobicContact CD1-CG2 3.85Å; F201-V531 HydrophobicContact CD2-CG2 3.82Å; F201-V531 HydrophobicContact CE1-CG2 3.93Å; F201-V531 HydrophobicContact CE2-CG2 3.89Å; F201-V531 HydrophobicContact CG-CG2 3.8Å; F201-V531 HydrophobicContact CZ-CG2 3.95Å
202	T	90.5	Very high	88.5	Confident	62 Å²	62	54 Å²	54	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-89.6	-7.4	-175.5	53.2	0	0	0	0	114.3	Q198 V200 K204 D530	Q198-T202 PolarHBondContact O-N 3.03Å; Q198-T202 PolarHBondContact O-OG1 2.9Å; V200-T202 PolarHBondContact O-N 3.22Å; T202-K204 PolarHBondContact O-N 3.31Å; T202-D530 HydrophobicContact CG2-CB 4.16Å
203	A	90.3	Very high	88.3	Confident	10 Å²	10	57.8 Å²	57.8	8%	0.083	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-59.9	124.2	176.9	0	0	0	0	0	110.8	A199 V200 L215 Q219 L275	A199-A203 WeakPolarHBondContact O-CB 3.5Å; A199-A203 PolarHBondContact O-N 3.24Å; A199-A203 VanDerWaalsContact O-N 3.12Å; V200-A203 PolarHBondContact O-N 3.39Å; A203-L215 HydrophobicContact CB-CD1 4.14Å; A203-L215 HydrophobicContact CB-CD2 3.9Å; A203-Q219 PolarHBondContact O-NE2 2.8Å; A203-L275 HydrophobicContact CB-CD1 3.78Å; A203-L275 HydrophobicContact CB-CD2 4.22Å; A203-L275 HydrophobicContact CB-CG 4.05Å
204	K	86.3	Confident	88.3	Confident	173 Å²	173	57.8 Å²	57.8	75%	0.752	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-92.9	147.1	-178.1	-66.3	-176.3	179.3	178.4	0	111.4	T202 M209	T202-K204 PolarHBondContact O-N 3.31Å; K204-M209 WeakPolarHBondContact O-CE 3.37Å
205	Y	83	Confident	88.3	Confident	101 Å²	101	57.8 Å²	57.8	40%	0.396	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-77	141.8	176.2	-55.1	-77	0	0	0	112.3	K212 L216 Q219	Y205-K212 HydrophobicContact CD1-CG 4.22Å; Y205-L216 HydrophobicContact CE1-CB 4.3Å; Y205-L216 WeakPolarHBondContact OH-CD1 3.33Å; Y205-Q219 VanDerWaalsContact CZ-OE1 3.32Å; Y205-Q219 PolarHBondContact OH-OE1 3.4Å
206	S	78.5	Confident	88.4	Confident	60 Å²	60	58.9 Å²	58.9	42%	0.42	29%	0.294	S	S	.	.			trans	-128.3	146.2	164.4	179.6	0	0	0	0	108.3	D208 M209	S206-D208 PolarHBondContact O-N 3.11Å; S206-M209 WeakPolarHBondContact O-CB 3.33Å; S206-M209 PolarHBondContact O-N 3.25Å
207	E	73.7	Confident	88.5	Confident	154 Å²	154	59.5 Å²	59.5	72%	0.72	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.8	177.8	-71.3	-55.5	133.3	0	0	112.3	M209 K212	E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.19Å; E207-K212 VanDerWaalsContact CD-NZ 3.29Å; E207-K212 IonicContact OE1-NZ 3.6Å; E207-K212 PolarHBondContact OE1-NZ 2.52Å; E207-K212 IonicContact OE2-NZ 2.61Å; E207-K212 PolarHBondContact OE2-NZ 3.14Å; E207-K212 VanDerWaalsContact OE2-NZ 3.14Å
208	D	79.1	Confident	88.6	Confident	155 Å²	155	58.7 Å²	58.7	83%	0.829	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	10	178.4	-57.4	-48.7	0	0	0	113.4	S206	S206-D208 PolarHBondContact O-N 3.11Å
209	M	83.8	Confident	88.8	Confident	27 Å²	27	56.4 Å²	56.4	13%	0.133	28%	0.282	C	S	.	.			trans	-72.5	128.9	-176.5	174.9	172.8	-68.2	0	0	112.1	K204 S206 E207 K212 L215 M271	K204-M209 WeakPolarHBondContact O-CE 3.37Å; S206-M209 WeakPolarHBondContact O-CB 3.33Å; S206-M209 PolarHBondContact O-N 3.25Å; E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.19Å; M209-K212 HydrophobicContact CB-CB 4.44Å; M209-K212 HydrophobicContact CG-CB 4.41Å; M209-L215 HydrophobicContact CE-CD2 4.44Å; M209-L215 HydrophobicContact SD-CD2 3.71Å; M209-M271 VanDerWaalsContact CE-O 3.29Å; M209-M271 WeakPolarHBondContact CE-O 3.46Å; M209-M271 WeakPolarHBondContact CG-O 3.26Å
210	K	82.9	Confident	89	Confident	122 Å²	122	58.5 Å²	58.5	53%	0.53	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	142.2	167.1	-65.1	-175.1	-179.6	-175	0	110.6	K212 E270	K210-K212 PolarHBondContact O-N 2.96Å; K210-E270 HydrophobicContact CD-CB 4.49Å; K210-E270 IonicContact NZ-OE2 3.01Å; K210-E270 PolarHBondContact NZ-OE2 2.8Å
211	H	89	Confident	89.2	Confident	54 Å²	54	58.3 Å²	58.3	25%	0.25	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	27.1	176	-46.6	-67.6	0	0	0	115	T213 T214 L215 M271	H211-T213 VanDerWaalsContact C-N 3.31Å; H211-T213 PolarHBondContact O-N 2.74Å; H211-T214 WeakPolarHBondContact O-CB 3.37Å; H211-T214 PolarHBondContact O-N 2.8Å; H211-T214 VanDerWaalsContact O-N 3.09Å; H211-L215 PolarHBondContact O-N 3.09Å; H211-M271 HydrophobicContact CB-CE 3.76Å; H211-M271 HydrophobicContact CB-CG 4.06Å
212	K	90.1	Very high	89.4	Confident	67 Å²	67	57.7 Å²	57.7	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-49.5	-45.9	179.5	179.1	178	175.1	178.9	0	113.5	Y205 E207 M209 K210 L215 L216	Y205-K212 HydrophobicContact CD1-CG 4.22Å; E207-K212 VanDerWaalsContact CD-NZ 3.29Å; E207-K212 IonicContact OE1-NZ 3.6Å; E207-K212 PolarHBondContact OE1-NZ 2.52Å; E207-K212 IonicContact OE2-NZ 2.61Å; E207-K212 PolarHBondContact OE2-NZ 3.14Å; E207-K212 VanDerWaalsContact OE2-NZ 3.14Å; M209-K212 HydrophobicContact CB-CB 4.44Å; M209-K212 HydrophobicContact CG-CB 4.41Å; K210-K212 PolarHBondContact O-N 2.96Å; K212-L215 PolarHBondContact O-N 3.08Å; K212-L216 PolarHBondContact O-N 3.09Å; K212-L216 VanDerWaalsContact O-N 3.11Å
213	T	91.6	Very high	89.7	Confident	82 Å²	82	54.7 Å²	54.7	50%	0.503	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-41	179.4	48.3	0	0	0	0	112.2	H211 L215 L216 E217	H211-T213 VanDerWaalsContact C-N 3.31Å; H211-T213 PolarHBondContact O-N 2.74Å; T213-L215 VanDerWaalsContact C-N 3.33Å; T213-L215 PolarHBondContact O-N 3.36Å; T213-L216 PolarHBondContact O-N 2.78Å; T213-E217 WeakPolarHBondContact O-CG 3.23Å; T213-E217 PolarHBondContact O-N 3.03Å
214	T	93.2	Very high	90.1	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-40.8	175.1	-52.1	0	0	0	0	111.8	H211 E217 L218 F238 Y242 M271	H211-T214 WeakPolarHBondContact O-CB 3.37Å; H211-T214 PolarHBondContact O-N 2.8Å; H211-T214 VanDerWaalsContact O-N 3.09Å; T214-E217 PolarHBondContact O-N 3.15Å; T214-L218 VanDerWaalsContact O-CB 3.29Å; T214-L218 WeakPolarHBondContact O-CB 3.18Å; T214-L218 PolarHBondContact O-N 3.46Å; T214-F238 HydrophobicContact CG2-CE2 3.83Å; T214-F238 HydrophobicContact CG2-CZ 4.27Å; T214-Y242 HydrophobicContact CG2-CD2 3.59Å; T214-Y242 HydrophobicContact CG2-CE2 4.28Å; T214-M271 HydrophobicContact CG2-CE 3.91Å
215	L	93.6	Very high	90.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-43.3	175.6	179.1	60.7	0	0	0	111.7	A203 M209 H211 K212 T213 L218 Q219 M271 L275	A203-L215 HydrophobicContact CB-CD1 4.14Å; A203-L215 HydrophobicContact CB-CD2 3.9Å; M209-L215 HydrophobicContact CE-CD2 4.44Å; M209-L215 HydrophobicContact SD-CD2 3.71Å; H211-L215 PolarHBondContact O-N 3.09Å; K212-L215 PolarHBondContact O-N 3.08Å; T213-L215 VanDerWaalsContact C-N 3.33Å; T213-L215 PolarHBondContact O-N 3.36Å; L215-L218 PolarHBondContact O-N 3.35Å; L215-Q219 HydrophobicContact CD1-CG 4.28Å; L215-Q219 WeakPolarHBondContact O-CG 3.49Å; L215-Q219 PolarHBondContact O-N 3.03Å; L215-M271 HydrophobicContact CB-CE 4.27Å; L215-M271 HydrophobicContact CB-SD 3.86Å; L215-M271 HydrophobicContact CD1-SD 3.98Å; L215-M271 HydrophobicContact CG-SD 4.36Å; L215-L275 HydrophobicContact CD1-CD1 4.36Å
216	L	93.2	Very high	91.1	Very high	59 Å²	59	44.1 Å²	44.1	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-48.9	176.9	176.9	66.8	0	0	0	111.3	Y205 K212 T213 L218 Q219 K220	Y205-L216 HydrophobicContact CE1-CB 4.3Å; Y205-L216 WeakPolarHBondContact OH-CD1 3.33Å; K212-L216 PolarHBondContact O-N 3.09Å; K212-L216 VanDerWaalsContact O-N 3.11Å; T213-L216 PolarHBondContact O-N 2.78Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-Q219 PolarHBondContact O-N 3.25Å; L216-K220 WeakPolarHBondContact O-CG 3.37Å; L216-K220 PolarHBondContact O-N 3.43Å
217	E	95.5	Very high	91.8	Very high	21 Å²	21	42.5 Å²	42.5	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-32.5	179.3	-65.9	-52.8	130.3	0	0	112.2	T213 T214 K220 M221 P237 F238 T241	T213-E217 WeakPolarHBondContact O-CG 3.23Å; T213-E217 PolarHBondContact O-N 3.03Å; T214-E217 PolarHBondContact O-N 3.15Å; E217-K220 IonicContact OE1-NZ 3.78Å; E217-K220 PolarHBondContact OE1-NZ 3.12Å; E217-M221 VanDerWaalsContact O-CB 3.25Å; E217-M221 WeakPolarHBondContact O-CB 3.42Å; E217-M221 PolarHBondContact O-N 3.27Å; E217-P237 VanDerWaalsContact OE2-CB 3.3Å; E217-P237 WeakPolarHBondContact OE2-CB 3.3Å; E217-F238 HydrophobicContact CB-CB 4.22Å; E217-F238 HydrophobicContact CB-CD2 4.11Å; E217-T241 HydrophobicContact CG-CG2 4.24Å
218	L	95.9	Very high	92.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-41.6	172.5	-171.1	64.7	0	0	0	112	I187 V200 T214 L215 L216 M221 F222 F238 V268	I187-L218 HydrophobicContact CD1-CD1 3.76Å; V200-L218 HydrophobicContact CG1-CD2 4.04Å; V200-L218 HydrophobicContact CG1-CG 3.96Å; V200-L218 HydrophobicContact CG2-CD2 3.98Å; T214-L218 VanDerWaalsContact O-CB 3.29Å; T214-L218 WeakPolarHBondContact O-CB 3.18Å; T214-L218 PolarHBondContact O-N 3.46Å; L215-L218 PolarHBondContact O-N 3.35Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 PolarHBondContact O-N 3.45Å; L218-M221 PolarHBondContact O-N 3.47Å; L218-F222 HydrophobicContact CD1-CD1 3.98Å; L218-F222 HydrophobicContact CD1-CE1 3.49Å; L218-F222 VanDerWaalsContact CD1-CE1 3.49Å; L218-F222 HydrophobicContact CD1-CZ 4.07Å; L218-F222 HydrophobicContact CG-CD1 4.33Å; L218-F222 HydrophobicContact CG-CE1 4.09Å; L218-F222 HydrophobicContact CG-CZ 4.4Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 WeakPolarHBondContact O-CD1 3.44Å; L218-F222 PolarHBondContact O-N 2.86Å; L218-F238 HydrophobicContact CB-CE2 4.21Å; L218-F238 HydrophobicContact CD1-CE2 4.15Å; L218-V268 HydrophobicContact CD2-CG2 4.43Å
219	Q	95.7	Very high	93.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-41.9	175.7	-76.8	-176.6	-11.6	0	0	112	V200 A203 Y205 L215 L216 F222 T223 L535	V200-Q219 HydrophobicContact CG1-CG 3.89Å; V200-Q219 WeakPolarHBondContact O-CG 3.49Å; V200-Q219 PolarHBondContact O-NE2 3.4Å; A203-Q219 PolarHBondContact O-NE2 2.8Å; Y205-Q219 VanDerWaalsContact CZ-OE1 3.32Å; Y205-Q219 PolarHBondContact OH-OE1 3.4Å; L215-Q219 HydrophobicContact CD1-CG 4.28Å; L215-Q219 WeakPolarHBondContact O-CG 3.49Å; L215-Q219 PolarHBondContact O-N 3.03Å; L216-Q219 PolarHBondContact O-N 3.25Å; Q219-F222 PolarHBondContact O-N 3.12Å; Q219-T223 WeakPolarHBondContact O-CB 3.27Å; Q219-T223 PolarHBondContact O-N 3.32Å; Q219-T223 PolarHBondContact O-OG1 3.05Å; Q219-L535 HydrophobicContact CB-CD1 3.93Å
220	K	96.6	Very high	94	Very high	56 Å²	56	28.2 Å²	28.2	24%	0.243	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-49.6	172.7	-75.2	177.2	-179.2	171.6	0	111.3	L216 E217 F222 T223 Y224 L535 W538	L216-K220 WeakPolarHBondContact O-CG 3.37Å; L216-K220 PolarHBondContact O-N 3.43Å; E217-K220 IonicContact OE1-NZ 3.78Å; E217-K220 PolarHBondContact OE1-NZ 3.12Å; K220-F222 PolarHBondContact O-N 2.61Å; K220-T223 PolarHBondContact O-N 3.37Å; K220-Y224 WeakPolarHBondContact O-CB 3.18Å; K220-Y224 PolarHBondContact O-N 2.76Å; K220-L535 HydrophobicContact CG-CD2 3.67Å; K220-W538 HydrophobicContact CB-CH2 4.17Å; K220-W538 HydrophobicContact CB-CZ3 4.12Å; K220-W538 HydrophobicContact CG-CZ3 4.33Å
221	M	97.8	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-47.9	177.2	-176.6	-175.4	-62.8	0	0	111.4	L174 I187 E217 L218 T223 Y224 L225 Y233 P235 F238	L174-M221 HydrophobicContact CD2-CG 4.2Å; L174-M221 HydrophobicContact CD2-SD 4.19Å; I187-M221 HydrophobicContact CB-SD 4.42Å; I187-M221 HydrophobicContact CD1-SD 4.3Å; I187-M221 HydrophobicContact CG1-SD 4.12Å; I187-M221 HydrophobicContact CG2-SD 3.59Å; I187-M221 VanDerWaalsContact CG2-SD 3.59Å; E217-M221 VanDerWaalsContact O-CB 3.25Å; E217-M221 WeakPolarHBondContact O-CB 3.42Å; E217-M221 PolarHBondContact O-N 3.27Å; L218-M221 PolarHBondContact O-N 3.47Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 3.26Å; M221-Y224 WeakPolarHBondContact O-CB 3.43Å; M221-Y224 PolarHBondContact O-N 2.52Å; M221-L225 HydrophobicContact CG-CD1 4.43Å; M221-L225 VanDerWaalsContact O-CG 3.3Å; M221-L225 WeakPolarHBondContact O-CG 3.48Å; M221-L225 PolarHBondContact O-N 3.27Å; M221-Y233 HydrophobicContact CB-CD1 4.12Å; M221-Y233 HydrophobicContact CB-CE1 3.72Å; M221-Y233 HydrophobicContact CE-CD1 4.14Å; M221-Y233 HydrophobicContact CE-CE1 3.73Å; M221-Y233 HydrophobicContact CG-CD1 3.6Å; M221-Y233 HydrophobicContact CG-CE1 3.68Å; M221-Y233 HydrophobicContact CG-CG 4.4Å; M221-Y233 HydrophobicContact SD-CD1 4.48Å; M221-Y233 HydrophobicContact SD-CE1 4.48Å; M221-P235 HydrophobicContact CE-CB 3.98Å; M221-F238 HydrophobicContact CE-CB 3.45Å; M221-F238 VanDerWaalsContact CE-CB 3.45Å; M221-F238 HydrophobicContact CE-CD1 4.16Å; M221-F238 HydrophobicContact CE-CD2 3.98Å; M221-F238 HydrophobicContact CE-CG 3.6Å
222	F	97.6	Very high	95	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.9	-35.7	179	-81.2	26.3	0	0	0	112.2	I187 L190 Y191 R197 V200 F201 L218 Q219 K220 M226	I187-F222 HydrophobicContact CG2-CE1 4.07Å; L190-F222 HydrophobicContact CD2-CZ 4.22Å; L190-F222 HydrophobicContact CG-CZ 4.24Å; Y191-F222 HydrophobicContact CD2-CB 4.16Å; Y191-F222 AromaticContact CD2-CD1 3.99Å; Y191-F222 HydrophobicContact CD2-CD1 3.99Å; Y191-F222 AromaticContact CD2-CD2 3.99Å; Y191-F222 HydrophobicContact CD2-CD2 3.99Å; Y191-F222 HydrophobicContact CD2-CE1 4.37Å; Y191-F222 HydrophobicContact CD2-CE2 4.36Å; Y191-F222 AromaticContact CD2-CG 3.78Å; Y191-F222 HydrophobicContact CD2-CG 3.78Å; Y191-F222 HydrophobicContact CE2-CB 4.25Å; Y191-F222 HydrophobicContact CE2-CG 4.36Å; Y191-F222 WeakPolarHBondContact CE2-O 3.5Å; R197-F222 HydrophobicContact CB-CD2 4.45Å; R197-F222 HydrophobicContact CB-CE2 4.46Å; R197-F222 HydrophobicContact CG-CD2 4.1Å; V200-F222 HydrophobicContact CB-CD2 3.86Å; V200-F222 HydrophobicContact CB-CE2 3.87Å; V200-F222 HydrophobicContact CG1-CD2 3.73Å; V200-F222 HydrophobicContact CG1-CE2 4.04Å; V200-F222 HydrophobicContact CG1-CG 4.26Å; V200-F222 HydrophobicContact CG2-CD2 4.28Å; V200-F222 HydrophobicContact CG2-CE2 3.78Å; V200-F222 HydrophobicContact CG2-CZ 4.43Å; F201-F222 HydrophobicContact CD1-CB 4.34Å; F201-F222 HydrophobicContact CE1-CB 3.51Å; F201-F222 HydrophobicContact CZ-CB 3.78Å; L218-F222 HydrophobicContact CD1-CD1 3.98Å; L218-F222 HydrophobicContact CD1-CE1 3.49Å; L218-F222 VanDerWaalsContact CD1-CE1 3.49Å; L218-F222 HydrophobicContact CD1-CZ 4.07Å; L218-F222 HydrophobicContact CG-CD1 4.33Å; L218-F222 HydrophobicContact CG-CE1 4.09Å; L218-F222 HydrophobicContact CG-CZ 4.4Å; L218-F222 WeakPolarHBondContact O-CB 3.3Å; L218-F222 WeakPolarHBondContact O-CD1 3.44Å; L218-F222 PolarHBondContact O-N 2.86Å; Q219-F222 PolarHBondContact O-N 3.12Å; K220-F222 PolarHBondContact O-N 2.61Å; F222-M226 WeakPolarHBondContact O-CB 3.32Å; F222-M226 PolarHBondContact O-N 2.67Å; F222-M226 VanDerWaalsContact O-N 3.13Å
223	T	96.8	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.2	-43.5	176.2	-57.5	0	0	0	0	110.4	Q219 K220 M221 M226 E227 V531 L535 I539	Q219-T223 WeakPolarHBondContact O-CB 3.27Å; Q219-T223 PolarHBondContact O-N 3.32Å; Q219-T223 PolarHBondContact O-OG1 3.05Å; K220-T223 PolarHBondContact O-N 3.37Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 3.26Å; T223-M226 WeakPolarHBondContact O-CB 3.5Å; T223-M226 PolarHBondContact O-N 3.36Å; T223-M226 VanDerWaalsContact O-N 3.17Å; T223-E227 PolarHBondContact O-N 2.87Å; T223-V531 HydrophobicContact CG2-CG1 4.06Å; T223-L535 HydrophobicContact CG2-CB 4.07Å; T223-I539 HydrophobicContact CG2-CB 4.3Å; T223-I539 HydrophobicContact CG2-CG2 3.9Å
224	Y	97.4	Very high	95.5	Very high	25 Å²	25	19.3 Å²	19.3	10%	0.098	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-49.1	175.6	-166.7	-76.7	0	0	0	111.5	V172 K220 M221 M226 E227 S228 C230 A232 Y233 W538 I539	V172-Y224 HydrophobicContact CG1-CD1 4.01Å; V172-Y224 HydrophobicContact CG1-CE1 3.92Å; K220-Y224 WeakPolarHBondContact O-CB 3.18Å; K220-Y224 PolarHBondContact O-N 2.76Å; M221-Y224 WeakPolarHBondContact O-CB 3.43Å; M221-Y224 PolarHBondContact O-N 2.52Å; Y224-M226 PolarHBondContact O-N 2.92Å; Y224-M226 VanDerWaalsContact O-N 3.13Å; Y224-E227 PolarHBondContact O-N 2.89Å; Y224-S228 VanDerWaalsContact CD1-CB 3.46Å; Y224-S228 VanDerWaalsContact CE1-CB 3.42Å; Y224-S228 VanDerWaalsContact CE1-OG 3.28Å; Y224-S228 WeakPolarHBondContact CE1-OG 3.43Å; Y224-S228 WeakPolarHBondContact O-CB 3.49Å; Y224-S228 PolarHBondContact O-N 3.5Å; Y224-S228 PolarHBondContact OH-OG 3.39Å; Y224-C230 HydrophobicContact CE1-CB 4.38Å; Y224-C230 WeakPolarHBondContact OH-CB 3.14Å; Y224-A232 PolarHBondContact OH-O 3.11Å; Y224-Y233 AromaticContact CD1-CD2 3.73Å; Y224-Y233 HydrophobicContact CD1-CD2 3.73Å; Y224-Y233 HydrophobicContact CD1-CG 4.06Å; Y224-Y233 AromaticContact CD2-CD2 3.57Å; Y224-Y233 HydrophobicContact CD2-CD2 3.57Å; Y224-Y233 HydrophobicContact CD2-CE2 4.12Å; Y224-Y233 HydrophobicContact CE1-CD2 4.16Å; Y224-Y233 HydrophobicContact CE1-CG 4.49Å; Y224-Y233 HydrophobicContact CE2-CD2 4.04Å; Y224-Y233 AromaticContact CG-CD2 3.38Å; Y224-Y233 HydrophobicContact CG-CD2 3.38Å; Y224-Y233 HydrophobicContact CG-CE2 4.17Å; Y224-Y233 HydrophobicContact CG-CG 4.11Å; Y224-W538 HydrophobicContact CD2-CH2 4.17Å; Y224-I539 HydrophobicContact CD2-CD1 3.32Å; Y224-I539 HydrophobicContact CE2-CD1 3.86Å; Y224-I539 HydrophobicContact CG-CD1 3.95Å
225	L	96.8	Very high	95.7	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-58.5	-28.4	177.2	-67.8	176.7	0	0	0	112.7	V172 L174 I187 Y191 M221	V172-L225 HydrophobicContact CB-CD2 3.86Å; V172-L225 HydrophobicContact CG1-CD2 3.9Å; V172-L225 WeakPolarHBondContact O-CD2 3.38Å; L174-L225 HydrophobicContact CD2-CD2 4.38Å; L174-L225 HydrophobicContact CG-CD2 4.45Å; I187-L225 HydrophobicContact CG2-CD1 4.25Å; Y191-L225 HydrophobicContact CD1-CB 4.45Å; Y191-L225 HydrophobicContact CD1-CD1 4.29Å; Y191-L225 HydrophobicContact CD2-CB 4.14Å; Y191-L225 HydrophobicContact CD2-CD1 3.91Å; Y191-L225 HydrophobicContact CE1-CB 4.06Å; Y191-L225 HydrophobicContact CE2-CB 3.69Å; Y191-L225 HydrophobicContact CE2-CD1 4.33Å; Y191-L225 HydrophobicContact CG-CB 4.49Å; Y191-L225 HydrophobicContact CG-CD1 3.88Å; Y191-L225 PolarHBondContact OH-O 2.91Å; M221-L225 HydrophobicContact CG-CD1 4.43Å; M221-L225 VanDerWaalsContact O-CG 3.3Å; M221-L225 WeakPolarHBondContact O-CG 3.48Å; M221-L225 PolarHBondContact O-N 3.27Å
226	M	94.1	Very high	95.8	Very high	34 Å²	34	23.4 Å²	23.4	17%	0.167	11%	0.11	C	C	.	.	H	α-helix	trans	-79.6	-52.9	178	-167	174.9	76.1	0	0	112.4	R166 Y191 F201 F222 T223 Y224 F529 V531	R166-M226 PolarHBondContact NH1-O 2.86Å; R166-M226 VanDerWaalsContact NH1-O 3.09Å; R166-M226 PolarHBondContact NH2-O 2.83Å; Y191-M226 WeakPolarHBondContact OH-CA 3.39Å; Y191-M226 WeakPolarHBondContact OH-CB 3.46Å; Y191-M226 PolarHBondContact OH-N 3.41Å; F201-M226 HydrophobicContact CE2-SD 3.96Å; F201-M226 HydrophobicContact CZ-SD 4.07Å; F222-M226 WeakPolarHBondContact O-CB 3.32Å; F222-M226 PolarHBondContact O-N 2.67Å; F222-M226 VanDerWaalsContact O-N 3.13Å; T223-M226 WeakPolarHBondContact O-CB 3.5Å; T223-M226 PolarHBondContact O-N 3.36Å; T223-M226 VanDerWaalsContact O-N 3.17Å; Y224-M226 PolarHBondContact O-N 2.92Å; Y224-M226 VanDerWaalsContact O-N 3.13Å; M226-F529 HydrophobicContact SD-CB 4.03Å; M226-F529 HydrophobicContact SD-CD2 4.41Å; M226-F529 HydrophobicContact SD-CG 4.37Å; M226-V531 HydrophobicContact CE-CB 4.39Å; M226-V531 HydrophobicContact CE-CG2 3.51Å; M226-V531 HydrophobicContact SD-CG2 4.33Å
227	E	93.4	Very high	95.9	Very high	26 Å²	26	23.3 Å²	23.3	12%	0.121	11%	0.113	C	C	.	.	H	α-helix	trans	-109.3	-16.4	-162.6	-67.7	-80	146.2	0	0	114.4	R108 T223 Y224 L536 I539 W540 N543	R108-E227 IonicContact CZ-OE1 2.76Å; R108-E227 IonicContact CZ-OE2 3.1Å; R108-E227 VanDerWaalsContact CZ-OE2 3.31Å; R108-E227 IonicContact NH1-OE1 3.34Å; R108-E227 PolarHBondContact NH1-OE1 2.83Å; R108-E227 VanDerWaalsContact NH1-OE1 3.11Å; R108-E227 IonicContact NH1-OE2 3.55Å; R108-E227 PolarHBondContact NH1-OE2 2.85Å; R108-E227 VanDerWaalsContact NH1-OE2 3.08Å; R108-E227 IonicContact NH2-OE1 2.67Å; R108-E227 IonicContact NH2-OE2 3.49Å; R108-E227 PolarHBondContact NH2-OE2 3.2Å; R108-E227 VanDerWaalsContact NH2-OE2 3.09Å; T223-E227 PolarHBondContact O-N 2.87Å; Y224-E227 PolarHBondContact O-N 2.89Å; E227-L536 HydrophobicContact CG-CD2 4.03Å; E227-I539 HydrophobicContact CB-CG1 4.13Å; E227-I539 HydrophobicContact CB-CG2 3.82Å; E227-I539 HydrophobicContact CG-CG2 4.44Å; E227-W540 PolarHBondContact OE2-NE1 2.84Å; E227-N543 PolarHBondContact O-ND2 2.9Å
228	S	94.9	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.			trans	-63.4	145.4	-175.6	-172	0	0	0	0	112.5	R166 Y224 C230 N543	R166-S228 VanDerWaalsContact CD-O 3.3Å; R166-S228 WeakPolarHBondContact CD-O 3.33Å; R166-S228 PolarHBondContact NH1-O 2.87Å; Y224-S228 VanDerWaalsContact CD1-CB 3.46Å; Y224-S228 VanDerWaalsContact CE1-CB 3.42Å; Y224-S228 VanDerWaalsContact CE1-OG 3.28Å; Y224-S228 WeakPolarHBondContact CE1-OG 3.43Å; Y224-S228 WeakPolarHBondContact O-CB 3.49Å; Y224-S228 PolarHBondContact O-N 3.5Å; Y224-S228 PolarHBondContact OH-OG 3.39Å; S228-C230 WeakPolarHBondContact OG-CB 3.28Å; S228-C230 PolarHBondContact OG-N 3.37Å; S228-N543 VanDerWaalsContact CA-OD1 3.29Å; S228-N543 WeakPolarHBondContact CA-OD1 3.48Å
229	E	93.2	Very high	95.9	Very high	24 Å²	24	22.4 Å²	22.4	11%	0.112	11%	0.109	C	C	.	.			trans	-93	0.3	168.3	-67.1	-63.9	151.6	0	0	112.7	R166 R170 N543 F546 L547	R166-E229 WeakPolarHBondContact CB-O 3.13Å; R166-E229 PolarHBondContact N-O 2.91Å; R170-E229 IonicContact CZ-OE1 3.36Å; R170-E229 IonicContact CZ-OE2 2.83Å; R170-E229 IonicContact NH1-OE1 2.72Å; R170-E229 IonicContact NH1-OE2 2.81Å; R170-E229 PolarHBondContact NH1-OE2 3.47Å; R170-E229 IonicContact NH2-OE1 3.18Å; R170-E229 PolarHBondContact NH2-OE1 3.18Å; R170-E229 IonicContact NH2-OE2 3.14Å; E229-N543 PolarHBondContact N-OD1 3.12Å; E229-F546 HydrophobicContact CB-CD1 4.2Å; E229-F546 HydrophobicContact CB-CE1 4.41Å; E229-F546 WeakPolarHBondContact O-CE1 3.39Å; E229-L547 HydrophobicContact CB-CD2 4.32Å; E229-L547 HydrophobicContact CG-CD1 4.32Å; E229-L547 HydrophobicContact CG-CD2 4.47Å
230	C	94.7	Very high	95.8	Very high	13 Å²	13	29 Å²	29	9%	0.088	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-85.7	160.1	174.6	-59.2	0	0	0	0	112	D164 Y224 S228 F546	D164-C230 CarbonylContact O-C 3.53Å; D164-C230 VanDerWaalsContact O-CA 3.24Å; D164-C230 WeakPolarHBondContact O-CA 3.33Å; Y224-C230 HydrophobicContact CE1-CB 4.38Å; Y224-C230 WeakPolarHBondContact OH-CB 3.14Å; S228-C230 WeakPolarHBondContact OG-CB 3.28Å; S228-C230 PolarHBondContact OG-N 3.37Å; C230-F546 VanDerWaalsContact SG-CD2 3.51Å; C230-F546 WeakPolarHBondContact SG-CG 3.5Å
231	K	95.3	Very high	95.7	Very high	48 Å²	48	28.2 Å²	28.2	21%	0.209	14%	0.138	C	C	.	.	S	Bend	trans	-68.3	-41.7	-176.5	-179.1	177.9	176.1	-174.5	0	113.2	D164 V165 V172 G173 A467 E468	D164-K231 WeakPolarHBondContact O-CB 3.16Å; D164-K231 PolarHBondContact O-N 2.73Å; V165-K231 WeakPolarHBondContact O-CB 3.22Å; V172-K231 WeakPolarHBondContact CG1-O 3.49Å; G173-K231 PolarHBondContact N-O 3Å; K231-A467 WeakPolarHBondContact CE-O 3.39Å; K231-A467 WeakPolarHBondContact CG-O 3.29Å; K231-E468 WeakPolarHBondContact CE-OE1 3.28Å; K231-E468 IonicContact NZ-OE1 3.99Å; K231-E468 PolarHBondContact NZ-OE1 2.86Å
232	A	96.9	Very high	95.5	Very high	16 Å²	16	28.2 Å²	28.2	13%	0.132	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	149.1	-172.5	0	0	0	0	0	112.6	G173 Y224 A467	G173-A232 VanDerWaalsContact O-CA 3.26Å; G173-A232 WeakPolarHBondContact O-CA 3.49Å; Y224-A232 PolarHBondContact OH-O 3.11Å; A232-A467 HydrophobicContact CB-CB 3.56Å
233	Y	97.6	Very high	95.3	Very high	16 Å²	16	30.7 Å²	30.7	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.1	171.7	178.6	-104.4	0	0	0	111.1	G173 L174 T175 M221 Y224 P235	G173-Y233 PolarHBondContact O-N 2.93Å; L174-Y233 WeakPolarHBondContact CA-O 3.34Å; L174-Y233 HydrophobicContact CD2-CD1 3.8Å; L174-Y233 HydrophobicContact CD2-CG 4.31Å; T175-Y233 PolarHBondContact N-O 3.35Å; M221-Y233 HydrophobicContact CB-CD1 4.12Å; M221-Y233 HydrophobicContact CB-CE1 3.72Å; M221-Y233 HydrophobicContact CE-CD1 4.14Å; M221-Y233 HydrophobicContact CE-CE1 3.73Å; M221-Y233 HydrophobicContact CG-CD1 3.6Å; M221-Y233 HydrophobicContact CG-CE1 3.68Å; M221-Y233 HydrophobicContact CG-CG 4.4Å; M221-Y233 HydrophobicContact SD-CD1 4.48Å; M221-Y233 HydrophobicContact SD-CE1 4.48Å; Y224-Y233 AromaticContact CD1-CD2 3.73Å; Y224-Y233 HydrophobicContact CD1-CD2 3.73Å; Y224-Y233 HydrophobicContact CD1-CG 4.06Å; Y224-Y233 AromaticContact CD2-CD2 3.57Å; Y224-Y233 HydrophobicContact CD2-CD2 3.57Å; Y224-Y233 HydrophobicContact CD2-CE2 4.12Å; Y224-Y233 HydrophobicContact CE1-CD2 4.16Å; Y224-Y233 HydrophobicContact CE1-CG 4.49Å; Y224-Y233 HydrophobicContact CE2-CD2 4.04Å; Y224-Y233 AromaticContact CG-CD2 3.38Å; Y224-Y233 HydrophobicContact CG-CD2 3.38Å; Y224-Y233 HydrophobicContact CG-CE2 4.17Å; Y224-Y233 HydrophobicContact CG-CG 4.11Å; Y233-P235 VanDerWaalsContact O-CD 3.31Å; Y233-P235 WeakPolarHBondContact O-CD 3.31Å
234	N	96.2	Very high	95	Very high	58 Å²	58	31.1 Å²	31.1	31%	0.31	16%	0.155	S	C	.	.			trans	-84.1	112.2	172	-174.1	-35.1	0	0	0	110.5	R236 P237	N234-R236 VanDerWaalsContact C-N 3.26Å; N234-R236 PolarHBondContact O-N 2.83Å; N234-R236 WeakPolarHBondContact OD1-CB 3.45Å; N234-R236 PolarHBondContact OD1-N 2.74Å; N234-P237 WeakPolarHBondContact O-CD 3.37Å
235	P	96.4	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.			trans	-80.7	5.9	-175.5	33.2	-33.8	0	0	0	114.5	T175 L177 L183 M221 Y233 F238 C239	T175-P235 VanDerWaalsContact O-CD 3.24Å; T175-P235 WeakPolarHBondContact O-CD 3.44Å; T175-P235 WeakPolarHBondContact O-CG 3.44Å; L177-P235 HydrophobicContact CD1-CG 3.87Å; L177-P235 HydrophobicContact CG-CG 4.13Å; L183-P235 HydrophobicContact CD2-CB 3.93Å; L183-P235 HydrophobicContact CD2-CG 4.27Å; M221-P235 HydrophobicContact CE-CB 3.98Å; Y233-P235 VanDerWaalsContact O-CD 3.31Å; Y233-P235 WeakPolarHBondContact O-CD 3.31Å; P235-F238 WeakPolarHBondContact O-CA 3.47Å; P235-F238 WeakPolarHBondContact O-CB 3.38Å; P235-F238 PolarHBondContact O-N 3.3Å; P235-C239 PolarHBondContact O-N 2.76Å; P235-C239 PolarHBondContact O-SG 2.97Å
236	R	95.6	Very high	93.9	Very high	90 Å²	90	45.5 Å²	45.5	34%	0.34	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-41.5	-174.9	-164.7	172.5	-169.7	-174.5	-3.5	113.1	L177 N234 F238 C239 K240 E771	L177-R236 HydrophobicContact CD1-CB 3.7Å; L177-R236 HydrophobicContact CD1-CG 4.25Å; L177-R236 HydrophobicContact CD2-CB 4.47Å; N234-R236 VanDerWaalsContact C-N 3.26Å; N234-R236 PolarHBondContact O-N 2.83Å; N234-R236 WeakPolarHBondContact OD1-CB 3.45Å; N234-R236 PolarHBondContact OD1-N 2.74Å; R236-F238 VanDerWaalsContact C-N 3.31Å; R236-F238 PolarHBondContact O-N 2.8Å; R236-C239 PolarHBondContact O-N 3.42Å; R236-K240 WeakPolarHBondContact O-CG 3.02Å; R236-K240 PolarHBondContact O-N 2.85Å; R236-E771 IonicContact CZ-OE2 2.86Å; R236-E771 IonicContact NH1-OE2 2.8Å; R236-E771 IonicContact NH2-OE2 3.64Å; R236-E771 PolarHBondContact NH2-OE2 3.38Å
237	P	95.6	Very high	93.7	Very high	57 Å²	57	50.5 Å²	50.5	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-38.4	174.1	-25.7	36.8	0	0	0	113.4	E217 N234 T241	E217-P237 VanDerWaalsContact OE2-CB 3.3Å; E217-P237 WeakPolarHBondContact OE2-CB 3.3Å; N234-P237 WeakPolarHBondContact O-CD 3.37Å; P237-T241 WeakPolarHBondContact O-CG2 3.45Å; P237-T241 PolarHBondContact O-N 3.37Å; P237-T241 PolarHBondContact O-OG1 3.3Å
238	F	96.2	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-45.3	174.9	179	-87.3	0	0	0	111.1	L183 T214 E217 L218 M221 P235 R236 K240 T241 Y242 F260 L264	L183-F238 HydrophobicContact CD1-CD1 3.76Å; L183-F238 HydrophobicContact CD1-CE1 3.69Å; T214-F238 HydrophobicContact CG2-CE2 3.83Å; T214-F238 HydrophobicContact CG2-CZ 4.27Å; E217-F238 HydrophobicContact CB-CB 4.22Å; E217-F238 HydrophobicContact CB-CD2 4.11Å; L218-F238 HydrophobicContact CB-CE2 4.21Å; L218-F238 HydrophobicContact CD1-CE2 4.15Å; M221-F238 HydrophobicContact CE-CB 3.45Å; M221-F238 VanDerWaalsContact CE-CB 3.45Å; M221-F238 HydrophobicContact CE-CD1 4.16Å; M221-F238 HydrophobicContact CE-CD2 3.98Å; M221-F238 HydrophobicContact CE-CG 3.6Å; P235-F238 WeakPolarHBondContact O-CA 3.47Å; P235-F238 WeakPolarHBondContact O-CB 3.38Å; P235-F238 PolarHBondContact O-N 3.3Å; R236-F238 VanDerWaalsContact C-N 3.31Å; R236-F238 PolarHBondContact O-N 2.8Å; F238-K240 VanDerWaalsContact C-N 3.28Å; F238-K240 PolarHBondContact O-N 3.08Å; F238-T241 PolarHBondContact O-N 3.2Å; F238-T241 VanDerWaalsContact O-N 3.08Å; F238-T241 PolarHBondContact O-OG1 2.67Å; F238-T241 VanDerWaalsContact O-OG1 3.11Å; F238-Y242 AromaticContact CE1-CD2 3.64Å; F238-Y242 HydrophobicContact CE1-CD2 3.64Å; F238-Y242 HydrophobicContact CE1-CE2 4.41Å; F238-Y242 AromaticContact CE1-CG 3.84Å; F238-Y242 HydrophobicContact CE1-CG 3.84Å; F238-Y242 HydrophobicContact CE2-CD2 4.12Å; F238-Y242 AromaticContact CZ-CD2 3.31Å; F238-Y242 HydrophobicContact CZ-CD2 3.31Å; F238-Y242 AromaticContact CZ-CE2 3.93Å; F238-Y242 HydrophobicContact CZ-CE2 3.93Å; F238-Y242 AromaticContact CZ-CG 3.99Å; F238-Y242 HydrophobicContact CZ-CG 3.99Å; F238-Y242 WeakPolarHBondContact O-CB 3.45Å; F238-Y242 PolarHBondContact O-N 2.83Å; F238-F260 HydrophobicContact CE1-CZ 4.4Å; F238-L264 HydrophobicContact CZ-CD1 4.41Å
239	C	95.1	Very high	93.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-36.4	178.3	-64.3	0	0	0	0	112.9	P235 R236 T241 L249 T251	P235-C239 PolarHBondContact O-N 2.76Å; P235-C239 PolarHBondContact O-SG 2.97Å; R236-C239 PolarHBondContact O-N 3.42Å; C239-T241 VanDerWaalsContact C-N 3.29Å; C239-T241 PolarHBondContact O-N 3.12Å; C239-L249 HydrophobicContact CB-CB 4.21Å; C239-L249 PolarHBondContact O-N 3.49Å; C239-T251 HydrophobicContact CB-CG2 4.02Å
240	K	94	Very high	93.3	Very high	141 Å²	141	56.9 Å²	56.9	61%	0.613	29%	0.287	S	S	*	.	H	α-helix	trans	-65.1	-30.2	175.9	-74.6	178.6	177.9	-179.3	0	113.1	R236 F238	R236-K240 WeakPolarHBondContact O-CG 3.02Å; R236-K240 PolarHBondContact O-N 2.85Å; F238-K240 VanDerWaalsContact C-N 3.28Å; F238-K240 PolarHBondContact O-N 3.08Å
241	T	93.5	Very high	93.2	Very high	41 Å²	41	58.2 Å²	58.2	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-100.5	-27	-175.5	60.9	0	0	0	0	113.6	E217 P237 F238 C239	E217-T241 HydrophobicContact CG-CG2 4.24Å; P237-T241 WeakPolarHBondContact O-CG2 3.45Å; P237-T241 PolarHBondContact O-N 3.37Å; P237-T241 PolarHBondContact O-OG1 3.3Å; F238-T241 PolarHBondContact O-N 3.2Å; F238-T241 VanDerWaalsContact O-N 3.08Å; F238-T241 PolarHBondContact O-OG1 2.67Å; F238-T241 VanDerWaalsContact O-OG1 3.11Å; C239-T241 VanDerWaalsContact C-N 3.29Å; C239-T241 PolarHBondContact O-N 3.12Å
242	Y	94.8	Very high	93.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.315	C	S	.	.			trans	-76.2	126.2	178.5	-168.1	-83.3	0	0	0	110.9	T214 F238 M244 P248 L249 F260 D263 L264 K267	T214-Y242 HydrophobicContact CG2-CD2 3.59Å; T214-Y242 HydrophobicContact CG2-CE2 4.28Å; F238-Y242 AromaticContact CE1-CD2 3.64Å; F238-Y242 HydrophobicContact CE1-CD2 3.64Å; F238-Y242 HydrophobicContact CE1-CE2 4.41Å; F238-Y242 AromaticContact CE1-CG 3.84Å; F238-Y242 HydrophobicContact CE1-CG 3.84Å; F238-Y242 HydrophobicContact CE2-CD2 4.12Å; F238-Y242 AromaticContact CZ-CD2 3.31Å; F238-Y242 HydrophobicContact CZ-CD2 3.31Å; F238-Y242 AromaticContact CZ-CE2 3.93Å; F238-Y242 HydrophobicContact CZ-CE2 3.93Å; F238-Y242 AromaticContact CZ-CG 3.99Å; F238-Y242 HydrophobicContact CZ-CG 3.99Å; F238-Y242 WeakPolarHBondContact O-CB 3.45Å; F238-Y242 PolarHBondContact O-N 2.83Å; Y242-M244 HydrophobicContact CE1-CB 4.33Å; Y242-P248 WeakPolarHBondContact O-CA 3.46Å; Y242-L249 HydrophobicContact CD1-CD1 3.61Å; Y242-L249 HydrophobicContact CD1-CD2 3.97Å; Y242-L249 HydrophobicContact CD1-CG 3.7Å; Y242-L249 HydrophobicContact CE1-CD1 4.4Å; Y242-L249 HydrophobicContact CE1-CD2 4.39Å; Y242-L249 HydrophobicContact CG-CD1 4.04Å; Y242-L249 HydrophobicContact CG-CG 4.4Å; Y242-L249 PolarHBondContact O-N 3.25Å; Y242-F260 HydrophobicContact CD1-CE2 4.12Å; Y242-F260 HydrophobicContact CE1-CD2 4.17Å; Y242-F260 AromaticContact CE1-CE2 3.57Å; Y242-F260 HydrophobicContact CE1-CE2 3.57Å; Y242-F260 HydrophobicContact CE1-CZ 4.49Å; Y242-F260 HydrophobicContact CE2-CE2 4.47Å; Y242-F260 AromaticContact CZ-CE2 3.76Å; Y242-D263 VanDerWaalsContact CE1-OD2 3.32Å; Y242-D263 WeakPolarHBondContact CE1-OD2 3.49Å; Y242-D263 VanDerWaalsContact CZ-OD2 3.28Å; Y242-D263 PolarHBondContact OH-OD2 3.41Å; Y242-L264 HydrophobicContact CE2-CD1 3.68Å; Y242-L264 WeakPolarHBondContact OH-CA 2.98Å; Y242-L264 PolarHBondContact OH-N 3.18Å; Y242-L264 VanDerWaalsContact OH-N 3.14Å; Y242-K267 HydrophobicContact CE2-CD 3.86Å; Y242-K267 PolarHBondContact OH-NZ 3.29Å
243	T	92.5	Very high	92.8	Very high	52 Å²	52	62 Å²	62	32%	0.319	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.4	-177	51.2	0	0	0	0	112.9	Q247 K267	T243-Q247 CarbonylContact C-O 3.6Å; T243-Q247 WeakPolarHBondContact CA-O 3.41Å; T243-K267 VanDerWaalsContact O-CE 3.32Å; T243-K267 WeakPolarHBondContact O-CE 3.47Å; T243-K267 PolarHBondContact O-NZ 3.45Å
244	M	91.1	Very high	92.5	Very high	9 Å²	9	66.1 Å²	66.1	4%	0.044	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.2	173.8	-165.5	171.5	174.1	0	0	108.5	Y242 K246 Q247 L249 K255 E259 F260 D263	Y242-M244 HydrophobicContact CE1-CB 4.33Å; M244-K246 PolarHBondContact O-N 2.88Å; M244-K246 VanDerWaalsContact O-N 3.1Å; M244-Q247 PolarHBondContact N-O 2.97Å; M244-Q247 PolarHBondContact O-N 2.89Å; M244-L249 HydrophobicContact CB-CD2 4.05Å; M244-K255 HydrophobicContact SD-CD 3.81Å; M244-E259 HydrophobicContact CE-CB 4.25Å; M244-E259 VanDerWaalsContact CE-CD 3.49Å; M244-E259 HydrophobicContact CE-CG 3.51Å; M244-E259 WeakPolarHBondContact CE-OE1 3.41Å; M244-F260 HydrophobicContact SD-CD2 4.4Å; M244-D263 HydrophobicContact CE-CB 4.5Å
245	D	85.8	Confident	92.3	Very high	124 Å²	124	64.9 Å²	64.9	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.3	-173.7	-56.7	-51	0	0	0	114.7	Q247	D245-Q247 PolarHBondContact O-N 2.76Å
246	K	85.2	Confident	92.1	Very high	204 Å²	204	66.8 Å²	66.8	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	13.5	-176.8	-48.2	175.9	-178.1	174.4	0	114.9	M244	M244-K246 PolarHBondContact O-N 2.88Å; M244-K246 VanDerWaalsContact O-N 3.1Å
247	Q	88.8	Confident	92	Very high	139 Å²	139	62.5 Å²	62.5	65%	0.65	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.6	172.6	-63.7	-169.3	-6.9	0	0	110.7	T243 M244 D245	T243-Q247 CarbonylContact C-O 3.6Å; T243-Q247 WeakPolarHBondContact CA-O 3.41Å; M244-Q247 PolarHBondContact N-O 2.97Å; M244-Q247 PolarHBondContact O-N 2.89Å; D245-Q247 PolarHBondContact O-N 2.76Å
248	P	90.5	Very high	91.9	Very high	80 Å²	80	60.2 Å²	60.2	52%	0.519	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	155.7	169.2	-22.2	33.7	0	0	0	111.6	Y242 N250	Y242-P248 WeakPolarHBondContact O-CA 3.46Å; P248-N250 PolarHBondContact O-N 3.44Å
249	L	92.1	Very high	91.8	Very high	13 Å²	13	65.1 Å²	65.1	7%	0.068	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.8	123.5	176.1	-67.4	177.5	0	0	0	110.6	L183 C239 Y242 M244 K255 F260	L183-L249 HydrophobicContact CD1-CD1 3.79Å; C239-L249 HydrophobicContact CB-CB 4.21Å; C239-L249 PolarHBondContact O-N 3.49Å; Y242-L249 HydrophobicContact CD1-CD1 3.61Å; Y242-L249 HydrophobicContact CD1-CD2 3.97Å; Y242-L249 HydrophobicContact CD1-CG 3.7Å; Y242-L249 HydrophobicContact CE1-CD1 4.4Å; Y242-L249 HydrophobicContact CE1-CD2 4.39Å; Y242-L249 HydrophobicContact CG-CD1 4.04Å; Y242-L249 HydrophobicContact CG-CG 4.4Å; Y242-L249 PolarHBondContact O-N 3.25Å; M244-L249 HydrophobicContact CB-CD2 4.05Å; L249-K255 HydrophobicContact CD2-CD 4.2Å; L249-F260 HydrophobicContact CD1-CE2 3.98Å
250	N	91.9	Very high	91.9	Very high	91 Å²	91	65 Å²	65	49%	0.487	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80.5	118	167.6	-175.4	-10.2	0	0	0	109.2	P248 G252 E253	P248-N250 PolarHBondContact O-N 3.44Å; N250-G252 PolarHBondContact O-N 3.48Å; N250-G252 PolarHBondContact OD1-N 2.54Å; N250-E253 HydrophobicContact CB-CB 3.97Å; N250-E253 PolarHBondContact O-N 3.35Å
251	T	92.4	Very high	92	Very high	42 Å²	42	58.4 Å²	58.4	26%	0.258	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.2	-176.3	56	0	0	0	0	113.6	L177 A179 T180 C239	L177-T251 HydrophobicContact CB-CG2 3.91Å; L177-T251 HydrophobicContact CD1-CG2 3.75Å; L177-T251 WeakPolarHBondContact O-CB 3.48Å; A179-T251 WeakPolarHBondContact CB-O 3.35Å; A179-T251 PolarHBondContact N-O 3.31Å; T180-T251 HydrophobicContact CG2-CG2 4.06Å; C239-T251 HydrophobicContact CB-CG2 4.02Å
252	G	92.4	Very high	92.1	Very high	60 Å²	60	58.5 Å²	58.5	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-2.5	173.6	0	0	0	0	0	114.6	N250	N250-G252 PolarHBondContact O-N 3.48Å; N250-G252 PolarHBondContact OD1-N 2.54Å
253	E	91.8	Very high	92.1	Very high	84 Å²	84	60.5 Å²	60.5	39%	0.393	32%	0.322	S	S	.	.	S	Bend	trans	-101.8	126.3	-178.2	-168.9	-165.2	140.4	0	0	111.4	N250 K255	N250-E253 HydrophobicContact CB-CB 3.97Å; N250-E253 PolarHBondContact O-N 3.35Å; E253-K255 IonicContact OE1-NZ 3.61Å; E253-K255 PolarHBondContact OE1-NZ 3.15Å; E253-K255 IonicContact OE2-NZ 3.69Å
254	Q	90.8	Very high	92.3	Very high	101 Å²	101	58.1 Å²	58.1	47%	0.472	31%	0.307	S	S	.	.			trans	-73.8	136.5	171.6	-64.4	-171.2	27.5	0	0	110.4	A179	A179-Q254 HydrophobicContact CB-CG 3.87Å
255	K	92.3	Very high	92.5	Very high	33 Å²	33	57.8 Å²	57.8	14%	0.143	31%	0.306	C	S	.	.			trans	-124.8	157.6	175.2	-62.9	-166.3	177.3	-68.7	0	111.8	Y182 M244 L249 E253 M257	Y182-K255 HydrophobicContact CD1-CB 4.03Å; Y182-K255 HydrophobicContact CD2-CB 4.13Å; Y182-K255 HydrophobicContact CE1-CB 3.78Å; Y182-K255 HydrophobicContact CE1-CG 4.06Å; Y182-K255 HydrophobicContact CE2-CB 3.92Å; Y182-K255 HydrophobicContact CE2-CD 4.26Å; Y182-K255 HydrophobicContact CE2-CG 4.38Å; Y182-K255 HydrophobicContact CG-CB 4.2Å; M244-K255 HydrophobicContact SD-CD 3.81Å; L249-K255 HydrophobicContact CD2-CD 4.2Å; E253-K255 IonicContact OE1-NZ 3.61Å; E253-K255 PolarHBondContact OE1-NZ 3.15Å; E253-K255 IonicContact OE2-NZ 3.69Å; K255-M257 PolarHBondContact O-N 3.34Å
256	D	92.8	Very high	92.8	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.214	29%	0.288	C	S	.	.			trans	-69.7	126.1	171.6	-172.2	-85.1	0	0	0	110.3	T258 E259 F260 Y510	D256-T258 PolarHBondContact O-N 3.14Å; D256-T258 WeakPolarHBondContact OD1-CA 3.25Å; D256-T258 WeakPolarHBondContact OD1-CB 3.44Å; D256-T258 PolarHBondContact OD1-N 3.38Å; D256-E259 HydrophobicContact CB-CB 3.92Å; D256-E259 PolarHBondContact O-N 3.18Å; D256-E259 PolarHBondContact OD1-N 3Å; D256-F260 PolarHBondContact O-N 2.78Å; D256-Y510 PolarHBondContact OD1-OH 3.32Å; D256-Y510 PolarHBondContact OD2-OH 3.11Å
257	M	93.1	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-37.4	-177.5	-176.6	-172.2	170.2	0	0	112.8	T186 K255 E259 F260 F261 T432 Y443 Y510 M511	T186-M257 WeakPolarHBondContact OG1-CE 3.48Å; T186-M257 WeakPolarHBondContact OG1-CG 3.5Å; K255-M257 PolarHBondContact O-N 3.34Å; M257-E259 VanDerWaalsContact C-N 3.33Å; M257-F260 PolarHBondContact O-N 3.34Å; M257-F261 WeakPolarHBondContact O-CB 3.44Å; M257-F261 PolarHBondContact O-N 3.3Å; M257-T432 HydrophobicContact CE-CG2 3.76Å; M257-T432 WeakPolarHBondContact CE-OG1 3.2Å; M257-T432 HydrophobicContact SD-CG2 3.1Å; M257-T432 WeakPolarHBondContact SD-CG2 3.24Å; M257-Y443 HydrophobicContact CB-CD1 4.14Å; M257-Y443 HydrophobicContact CB-CE1 3.89Å; M257-Y443 HydrophobicContact CB-CE2 4.41Å; M257-Y443 HydrophobicContact CB-CG 4.49Å; M257-Y443 HydrophobicContact SD-CD1 4.19Å; M257-Y510 HydrophobicContact CB-CD1 4.26Å; M257-Y510 HydrophobicContact CB-CE1 4.21Å; M257-M511 HydrophobicContact CE-SD 4.49Å
258	T	93.1	Very high	93.5	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-68.9	-38.8	-178.5	-61.5	0	0	0	0	110.5	D256 F261 T262 N365 Y510	D256-T258 PolarHBondContact O-N 3.14Å; D256-T258 WeakPolarHBondContact OD1-CA 3.25Å; D256-T258 WeakPolarHBondContact OD1-CB 3.44Å; D256-T258 PolarHBondContact OD1-N 3.38Å; T258-F261 PolarHBondContact O-N 3.2Å; T258-T262 WeakPolarHBondContact O-CB 3.4Å; T258-T262 PolarHBondContact O-N 2.96Å; T258-T262 PolarHBondContact O-OG1 3.46Å; T258-N365 HydrophobicContact CG2-CB 3.89Å; T258-N365 PolarHBondContact OG1-OD1 3.42Å; T258-Y510 WeakPolarHBondContact OG1-CE1 3.4Å
259	E	94.1	Very high	93.6	Very high	102 Å²	102	36.3 Å²	36.3	48%	0.477	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-50	174	-165.2	-175.1	176.5	0	0	111	M244 D256 M257 F261 T262 D263	M244-E259 HydrophobicContact CE-CB 4.25Å; M244-E259 VanDerWaalsContact CE-CD 3.49Å; M244-E259 HydrophobicContact CE-CG 3.51Å; M244-E259 WeakPolarHBondContact CE-OE1 3.41Å; D256-E259 HydrophobicContact CB-CB 3.92Å; D256-E259 PolarHBondContact O-N 3.18Å; D256-E259 PolarHBondContact OD1-N 3Å; M257-E259 VanDerWaalsContact C-N 3.33Å; E259-F261 PolarHBondContact O-N 3.19Å; E259-T262 PolarHBondContact O-N 3.44Å; E259-D263 WeakPolarHBondContact O-CB 3.31Å; E259-D263 PolarHBondContact O-N 3.45Å
260	F	96.3	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-43.9	176.7	179.6	-100.2	0	0	0	112.5	Y182 L183 T186 F238 Y242 M244 L249 D256 M257 T262 D263 L264	Y182-F260 HydrophobicContact CD2-CB 3.84Å; Y182-F260 AromaticContact CD2-CD1 3.95Å; Y182-F260 HydrophobicContact CD2-CD1 3.95Å; Y182-F260 HydrophobicContact CD2-CD2 4.11Å; Y182-F260 AromaticContact CD2-CG 3.68Å; Y182-F260 HydrophobicContact CD2-CG 3.68Å; Y182-F260 HydrophobicContact CE2-CB 4.19Å; Y182-F260 HydrophobicContact CE2-CD1 4.3Å; Y182-F260 AromaticContact CE2-CD2 3.71Å; Y182-F260 HydrophobicContact CE2-CD2 3.71Å; Y182-F260 HydrophobicContact CE2-CE2 4.16Å; Y182-F260 AromaticContact CE2-CG 3.79Å; Y182-F260 HydrophobicContact CE2-CG 3.79Å; L183-F260 HydrophobicContact CB-CE1 4.09Å; L183-F260 HydrophobicContact CB-CZ 4.14Å; L183-F260 HydrophobicContact CD1-CE2 4.35Å; L183-F260 HydrophobicContact CD1-CZ 3.8Å; L183-F260 HydrophobicContact CG-CE1 4.16Å; L183-F260 HydrophobicContact CG-CZ 3.94Å; T186-F260 HydrophobicContact CG2-CD1 3.74Å; T186-F260 HydrophobicContact CG2-CE1 3.81Å; F238-F260 HydrophobicContact CE1-CZ 4.4Å; Y242-F260 HydrophobicContact CD1-CE2 4.12Å; Y242-F260 HydrophobicContact CE1-CD2 4.17Å; Y242-F260 AromaticContact CE1-CE2 3.57Å; Y242-F260 HydrophobicContact CE1-CE2 3.57Å; Y242-F260 HydrophobicContact CE1-CZ 4.49Å; Y242-F260 HydrophobicContact CE2-CE2 4.47Å; Y242-F260 AromaticContact CZ-CE2 3.76Å; M244-F260 HydrophobicContact SD-CD2 4.4Å; L249-F260 HydrophobicContact CD1-CE2 3.98Å; D256-F260 PolarHBondContact O-N 2.78Å; M257-F260 PolarHBondContact O-N 3.34Å; F260-T262 VanDerWaalsContact C-N 3.34Å; F260-T262 PolarHBondContact O-N 2.79Å; F260-D263 PolarHBondContact O-N 3Å; F260-L264 HydrophobicContact CE1-CD2 4.26Å; F260-L264 VanDerWaalsContact O-CB 3.29Å; F260-L264 WeakPolarHBondContact O-CB 3.41Å; F260-L264 PolarHBondContact O-N 3.35Å
261	F	96.6	Very high	93.5	Very high	2 Å²	2	36 Å²	36	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-46.5	175.5	172.8	-93.4	0	0	0	111.4	T186 M257 T258 E259 L264 I265 F283 T308 M511 F513	T186-F261 HydrophobicContact CG2-CB 4.01Å; T186-F261 HydrophobicContact CG2-CD2 3.96Å; T186-F261 HydrophobicContact CG2-CG 4.49Å; M257-F261 WeakPolarHBondContact O-CB 3.44Å; M257-F261 PolarHBondContact O-N 3.3Å; T258-F261 PolarHBondContact O-N 3.2Å; E259-F261 PolarHBondContact O-N 3.19Å; F261-L264 PolarHBondContact O-N 2.93Å; F261-I265 HydrophobicContact CD1-CG1 4.28Å; F261-I265 HydrophobicContact CD2-CG1 4.24Å; F261-I265 HydrophobicContact CE1-CG1 3.93Å; F261-I265 HydrophobicContact CE2-CD1 4.1Å; F261-I265 HydrophobicContact CE2-CG1 3.87Å; F261-I265 HydrophobicContact CG-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.15Å; F261-I265 HydrophobicContact CZ-CG1 3.7Å; F261-I265 WeakPolarHBondContact O-CB 3.25Å; F261-I265 VanDerWaalsContact O-CG1 3.26Å; F261-I265 WeakPolarHBondContact O-CG1 3.39Å; F261-I265 PolarHBondContact O-N 2.89Å; F261-F283 HydrophobicContact CE2-CE1 4.48Å; F261-F283 HydrophobicContact CZ-CD1 4.05Å; F261-F283 AromaticContact CZ-CE1 4Å; F261-F283 HydrophobicContact CZ-CE1 4Å; F261-T308 HydrophobicContact CD1-CG2 3.97Å; F261-T308 HydrophobicContact CE1-CG2 3.87Å; F261-M511 HydrophobicContact CB-CE 4.43Å; F261-M511 HydrophobicContact CB-SD 4.49Å; F261-M511 HydrophobicContact CD1-CE 3.49Å; F261-M511 VanDerWaalsContact CD1-CE 3.49Å; F261-M511 HydrophobicContact CD2-CE 4.15Å; F261-M511 HydrophobicContact CE1-CE 3.64Å; F261-M511 HydrophobicContact CE2-CE 4.29Å; F261-M511 HydrophobicContact CG-CE 3.76Å; F261-M511 HydrophobicContact CG-SD 4.36Å; F261-M511 HydrophobicContact CZ-CE 4.05Å; F261-F513 HydrophobicContact CD2-CE1 4.36Å; F261-F513 HydrophobicContact CD2-CZ 4.49Å; F261-F513 AromaticContact CE2-CE1 3.8Å; F261-F513 HydrophobicContact CE2-CE1 3.8Å; F261-F513 HydrophobicContact CE2-CZ 4.36Å; F261-F513 HydrophobicContact CZ-CE1 4.06Å
262	T	95.1	Very high	93.4	Very high	44 Å²	44	34.4 Å²	34.4	27%	0.27	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-42.4	-177.8	-54.6	0	0	0	0	111.5	T258 E259 F260 T266	T258-T262 WeakPolarHBondContact O-CB 3.4Å; T258-T262 PolarHBondContact O-N 2.96Å; T258-T262 PolarHBondContact O-OG1 3.46Å; E259-T262 PolarHBondContact O-N 3.44Å; F260-T262 VanDerWaalsContact C-N 3.34Å; F260-T262 PolarHBondContact O-N 2.79Å; T262-T266 WeakPolarHBondContact O-CB 3.41Å; T262-T266 PolarHBondContact O-N 3Å; T262-T266 PolarHBondContact O-OG1 3.04Å
263	D	96	Very high	93.2	Very high	42 Å²	42	35.8 Å²	35.8	23%	0.225	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-43.3	175.3	176.5	63.3	0	0	0	111.7	Y242 M244 E259 F260 T266 K267	Y242-D263 VanDerWaalsContact CE1-OD2 3.32Å; Y242-D263 WeakPolarHBondContact CE1-OD2 3.49Å; Y242-D263 VanDerWaalsContact CZ-OD2 3.28Å; Y242-D263 PolarHBondContact OH-OD2 3.41Å; M244-D263 HydrophobicContact CE-CB 4.5Å; E259-D263 WeakPolarHBondContact O-CB 3.31Å; E259-D263 PolarHBondContact O-N 3.45Å; F260-D263 PolarHBondContact O-N 3Å; D263-T266 PolarHBondContact O-N 3.44Å; D263-K267 WeakPolarHBondContact O-CG 3.17Å; D263-K267 PolarHBondContact O-N 3.34Å; D263-K267 WeakPolarHBondContact OD1-CE 3.26Å; D263-K267 IonicContact OD1-NZ 2.86Å; D263-K267 PolarHBondContact OD1-NZ 3.47Å; D263-K267 IonicContact OD2-NZ 3.06Å; D263-K267 PolarHBondContact OD2-NZ 2.95Å
264	L	95.8	Very high	93.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-49.4	177	177.6	63.8	0	0	0	111.5	T186 I187 L190 F238 Y242 F260 F261 T266 K267 V268	T186-L264 HydrophobicContact CG2-CD2 3.85Å; I187-L264 HydrophobicContact CD1-CD2 3.93Å; L190-L264 HydrophobicContact CD2-CD2 4.14Å; F238-L264 HydrophobicContact CZ-CD1 4.41Å; Y242-L264 HydrophobicContact CE2-CD1 3.68Å; Y242-L264 WeakPolarHBondContact OH-CA 2.98Å; Y242-L264 PolarHBondContact OH-N 3.18Å; Y242-L264 VanDerWaalsContact OH-N 3.14Å; F260-L264 HydrophobicContact CE1-CD2 4.26Å; F260-L264 VanDerWaalsContact O-CB 3.29Å; F260-L264 WeakPolarHBondContact O-CB 3.41Å; F260-L264 PolarHBondContact O-N 3.35Å; F261-L264 PolarHBondContact O-N 2.93Å; L264-T266 VanDerWaalsContact C-N 3.3Å; L264-T266 PolarHBondContact O-N 3.29Å; L264-K267 PolarHBondContact O-N 3.36Å; L264-V268 HydrophobicContact CD1-CG2 4.31Å; L264-V268 VanDerWaalsContact O-CG2 3.31Å; L264-V268 WeakPolarHBondContact O-CG2 3.48Å; L264-V268 PolarHBondContact O-N 3.26Å
265	I	95.2	Very high	93.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-40.3	179.3	-67.2	-61.6	0	0	0	111.1	L190 F261 V268 E269 V279 F283 Y307	L190-I265 HydrophobicContact CD1-CD1 4.13Å; F261-I265 HydrophobicContact CD1-CG1 4.28Å; F261-I265 HydrophobicContact CD2-CG1 4.24Å; F261-I265 HydrophobicContact CE1-CG1 3.93Å; F261-I265 HydrophobicContact CE2-CD1 4.1Å; F261-I265 HydrophobicContact CE2-CG1 3.87Å; F261-I265 HydrophobicContact CG-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.15Å; F261-I265 HydrophobicContact CZ-CG1 3.7Å; F261-I265 WeakPolarHBondContact O-CB 3.25Å; F261-I265 VanDerWaalsContact O-CG1 3.26Å; F261-I265 WeakPolarHBondContact O-CG1 3.39Å; F261-I265 PolarHBondContact O-N 2.89Å; I265-V268 PolarHBondContact O-N 2.81Å; I265-E269 PolarHBondContact O-N 2.87Å; I265-V279 HydrophobicContact CG2-CG1 3.42Å; I265-V279 VanDerWaalsContact CG2-CG1 3.42Å; I265-F283 HydrophobicContact CD1-CD2 3.95Å; I265-F283 HydrophobicContact CD1-CE2 3.74Å; I265-F283 HydrophobicContact CD1-CZ 4.21Å; I265-F283 HydrophobicContact CG2-CD2 4.47Å; I265-Y307 HydrophobicContact CG2-CD1 3.96Å; I265-Y307 HydrophobicContact CG2-CE1 4.17Å; I265-Y307 HydrophobicContact CG2-CG 4.47Å
266	T	93.6	Very high	93.2	Very high	47 Å²	47	36.2 Å²	36.2	29%	0.288	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-44.5	176.6	-56	0	0	0	0	111.2	T262 D263 L264 E269 E270	T262-T266 WeakPolarHBondContact O-CB 3.41Å; T262-T266 PolarHBondContact O-N 3Å; T262-T266 PolarHBondContact O-OG1 3.04Å; D263-T266 PolarHBondContact O-N 3.44Å; L264-T266 VanDerWaalsContact C-N 3.3Å; L264-T266 PolarHBondContact O-N 3.29Å; T266-E269 VanDerWaalsContact O-CB 3.29Å; T266-E269 WeakPolarHBondContact O-CB 3.24Å; T266-E269 PolarHBondContact O-N 3.07Å; T266-E270 PolarHBondContact O-N 3.5Å; T266-E270 VanDerWaalsContact O-N 3.08Å
267	K	94.1	Very high	93.2	Very high	14 Å²	14	39.9 Å²	39.9	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-41.3	176.3	-76.5	171.9	-179.2	153.8	0	112.9	Y242 T243 D263 L264 E269 E270 M271	Y242-K267 HydrophobicContact CE2-CD 3.86Å; Y242-K267 PolarHBondContact OH-NZ 3.29Å; T243-K267 VanDerWaalsContact O-CE 3.32Å; T243-K267 WeakPolarHBondContact O-CE 3.47Å; T243-K267 PolarHBondContact O-NZ 3.45Å; D263-K267 WeakPolarHBondContact O-CG 3.17Å; D263-K267 PolarHBondContact O-N 3.34Å; D263-K267 WeakPolarHBondContact OD1-CE 3.26Å; D263-K267 IonicContact OD1-NZ 2.86Å; D263-K267 PolarHBondContact OD1-NZ 3.47Å; D263-K267 IonicContact OD2-NZ 3.06Å; D263-K267 PolarHBondContact OD2-NZ 2.95Å; L264-K267 PolarHBondContact O-N 3.36Å; K267-E269 PolarHBondContact O-N 2.85Å; K267-E270 PolarHBondContact O-N 3.08Å; K267-M271 WeakPolarHBondContact O-CG 3.46Å; K267-M271 PolarHBondContact O-N 3.49Å; K267-M271 VanDerWaalsContact O-N 3.13Å
268	V	93.2	Very high	93.2	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-38.7	175	173.6	0	0	0	0	110.4	L218 L264 I265 E270 M271 L275 V279	L218-V268 HydrophobicContact CD2-CG2 4.43Å; L264-V268 HydrophobicContact CD1-CG2 4.31Å; L264-V268 VanDerWaalsContact O-CG2 3.31Å; L264-V268 WeakPolarHBondContact O-CG2 3.48Å; L264-V268 PolarHBondContact O-N 3.26Å; I265-V268 PolarHBondContact O-N 2.81Å; V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 PolarHBondContact O-N 3.47Å; V268-M271 HydrophobicContact CG2-SD 4.31Å; V268-M271 PolarHBondContact O-N 3.23Å; V268-L275 HydrophobicContact CG1-CB 4.28Å; V268-L275 HydrophobicContact CG1-CD1 4.35Å; V268-L275 HydrophobicContact CG1-CD2 4.1Å; V268-L275 HydrophobicContact CG1-CG 4.49Å; V268-L275 VanDerWaalsContact O-CB 3.3Å; V268-L275 WeakPolarHBondContact O-CB 3.4Å; V268-V279 HydrophobicContact CB-CG2 4.29Å; V268-V279 HydrophobicContact CG1-CG2 3.77Å
269	E	93.5	Very high	93.3	Very high	26 Å²	26	41.6 Å²	41.6	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-36.2	172.8	-164.8	-167.6	152.8	0	0	112.6	I265 T266 K267 K276 V279 K280 Y307	I265-E269 PolarHBondContact O-N 2.87Å; T266-E269 VanDerWaalsContact O-CB 3.29Å; T266-E269 WeakPolarHBondContact O-CB 3.24Å; T266-E269 PolarHBondContact O-N 3.07Å; K267-E269 PolarHBondContact O-N 2.85Å; E269-K276 HydrophobicContact CG-CB 3.88Å; E269-K276 HydrophobicContact CG-CD 4.21Å; E269-K276 HydrophobicContact CG-CG 3.62Å; E269-K276 WeakPolarHBondContact O-CB 3.38Å; E269-K276 VanDerWaalsContact OE1-CE 3.3Å; E269-K276 WeakPolarHBondContact OE1-CE 3.32Å; E269-K276 IonicContact OE1-NZ 3.98Å; E269-V279 HydrophobicContact CB-CB 4.34Å; E269-V279 HydrophobicContact CB-CG1 4.11Å; E269-V279 HydrophobicContact CG-CB 4.48Å; E269-V279 HydrophobicContact CG-CG1 4.34Å; E269-K280 WeakPolarHBondContact OE1-CE 3.1Å; E269-K280 IonicContact OE1-NZ 2.78Å; E269-K280 IonicContact OE2-NZ 2.8Å; E269-Y307 PolarHBondContact OE2-OH 2.84Å
270	E	92.3	Very high	93.3	Very high	90 Å²	90	38.7 Å²	38.7	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-80.3	-14.4	-179	-70.3	-166.3	-156.2	0	0	114.7	K210 T266 K267 V268	K210-E270 HydrophobicContact CD-CB 4.49Å; K210-E270 IonicContact NZ-OE2 3.01Å; K210-E270 PolarHBondContact NZ-OE2 2.8Å; T266-E270 PolarHBondContact O-N 3.5Å; T266-E270 VanDerWaalsContact O-N 3.08Å; K267-E270 PolarHBondContact O-N 3.08Å; V268-E270 VanDerWaalsContact C-N 3.29Å; V268-E270 PolarHBondContact O-N 3.47Å
271	M	90.3	Very high	93.2	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-46.3	-176.8	-76.4	167.3	-176.2	0	0	112.5	M209 H211 T214 L215 K267 V268 L275	M209-M271 VanDerWaalsContact CE-O 3.29Å; M209-M271 WeakPolarHBondContact CE-O 3.46Å; M209-M271 WeakPolarHBondContact CG-O 3.26Å; H211-M271 HydrophobicContact CB-CE 3.76Å; H211-M271 HydrophobicContact CB-CG 4.06Å; T214-M271 HydrophobicContact CG2-CE 3.91Å; L215-M271 HydrophobicContact CB-CE 4.27Å; L215-M271 HydrophobicContact CB-SD 3.86Å; L215-M271 HydrophobicContact CD1-SD 3.98Å; L215-M271 HydrophobicContact CG-SD 4.36Å; K267-M271 WeakPolarHBondContact O-CG 3.46Å; K267-M271 PolarHBondContact O-N 3.49Å; K267-M271 VanDerWaalsContact O-N 3.13Å; V268-M271 HydrophobicContact CG2-SD 4.31Å; V268-M271 PolarHBondContact O-N 3.23Å; M271-L275 HydrophobicContact CB-CD1 3.65Å; M271-L275 HydrophobicContact SD-CD1 4.28Å
272	S	88.8	Confident	93.2	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.063	22%	0.222	C	C	.	.			trans	-151.8	157	179.7	102	0	0	0	0	113.1	E274 L275 K276	S272-E274 VanDerWaalsContact C-N 3.28Å; S272-E274 WeakPolarHBondContact CB-OE2 3.39Å; S272-E274 PolarHBondContact O-N 3.45Å; S272-E274 PolarHBondContact OG-N 3.01Å; S272-E274 PolarHBondContact OG-OE2 2.99Å; S272-L275 PolarHBondContact O-N 3.47Å; S272-L275 PolarHBondContact OG-N 2.86Å; S272-L275 VanDerWaalsContact OG-N 3.12Å; S272-K276 WeakPolarHBondContact O-CB 3.47Å; S272-K276 PolarHBondContact O-N 2.77Å
273	P	88.6	Confident	93.2	Very high	89 Å²	89	39.5 Å²	39.5	58%	0.578	21%	0.21	S	C	*	.	H	α-helix	trans	-59.1	-35.9	174.4	-24	34.8	0	0	0	113.9	K276 N277	P273-K276 WeakPolarHBondContact O-CB 3.27Å; P273-K276 PolarHBondContact O-N 3Å; P273-N277 VanDerWaalsContact O-CG 3.29Å; P273-N277 PolarHBondContact O-N 2.85Å; P273-N277 PolarHBondContact O-ND2 3.41Å
274	E	89.3	Confident	93.2	Very high	124 Å²	124	37.8 Å²	37.8	58%	0.579	20%	0.202	S	C	*	.	H	α-helix	trans	-68.9	-44.1	178	-58.1	75.1	-163.2	0	0	111.2	S272 K276 N277 T278	S272-E274 VanDerWaalsContact C-N 3.28Å; S272-E274 WeakPolarHBondContact CB-OE2 3.39Å; S272-E274 PolarHBondContact O-N 3.45Å; S272-E274 PolarHBondContact OG-N 3.01Å; S272-E274 PolarHBondContact OG-OE2 2.99Å; E274-K276 VanDerWaalsContact C-N 3.33Å; E274-N277 PolarHBondContact O-N 2.91Å; E274-T278 PolarHBondContact O-N 3.44Å; E274-T278 PolarHBondContact O-OG1 3.31Å
275	L	91.4	Very high	93.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-40.7	173.9	-73.7	174	0	0	0	111	A199 A203 L215 V268 M271 S272 N277 T278 V279	A199-L275 HydrophobicContact CB-CD2 3.98Å; A203-L275 HydrophobicContact CB-CD1 3.78Å; A203-L275 HydrophobicContact CB-CD2 4.22Å; A203-L275 HydrophobicContact CB-CG 4.05Å; L215-L275 HydrophobicContact CD1-CD1 4.36Å; V268-L275 HydrophobicContact CG1-CB 4.28Å; V268-L275 HydrophobicContact CG1-CD1 4.35Å; V268-L275 HydrophobicContact CG1-CD2 4.1Å; V268-L275 HydrophobicContact CG1-CG 4.49Å; V268-L275 VanDerWaalsContact O-CB 3.3Å; V268-L275 WeakPolarHBondContact O-CB 3.4Å; M271-L275 HydrophobicContact CB-CD1 3.65Å; M271-L275 HydrophobicContact SD-CD1 4.28Å; S272-L275 PolarHBondContact O-N 3.47Å; S272-L275 PolarHBondContact OG-N 2.86Å; S272-L275 VanDerWaalsContact OG-N 3.12Å; L275-N277 PolarHBondContact O-N 2.8Å; L275-T278 WeakPolarHBondContact O-CB 3.5Å; L275-T278 PolarHBondContact O-N 3.24Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.49Å; L275-V279 PolarHBondContact O-N 2.77Å
276	K	93.6	Very high	93.3	Very high	100 Å²	100	39.1 Å²	39.1	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-54.8	-50.6	173.5	176.7	163.2	-173.5	170.7	0	112.5	E269 S272 P273 E274 T278 V279 K280	E269-K276 HydrophobicContact CG-CB 3.88Å; E269-K276 HydrophobicContact CG-CD 4.21Å; E269-K276 HydrophobicContact CG-CG 3.62Å; E269-K276 WeakPolarHBondContact O-CB 3.38Å; E269-K276 VanDerWaalsContact OE1-CE 3.3Å; E269-K276 WeakPolarHBondContact OE1-CE 3.32Å; E269-K276 IonicContact OE1-NZ 3.98Å; S272-K276 WeakPolarHBondContact O-CB 3.47Å; S272-K276 PolarHBondContact O-N 2.77Å; P273-K276 WeakPolarHBondContact O-CB 3.27Å; P273-K276 PolarHBondContact O-N 3Å; E274-K276 VanDerWaalsContact C-N 3.33Å; K276-T278 VanDerWaalsContact C-N 3.29Å; K276-T278 PolarHBondContact O-N 3.37Å; K276-V279 PolarHBondContact O-N 2.71Å; K276-K280 WeakPolarHBondContact O-CB 3.35Å; K276-K280 WeakPolarHBondContact O-CG 3.18Å; K276-K280 PolarHBondContact O-N 2.9Å
277	N	93.4	Very high	93.3	Very high	116 Å²	116	38.3 Å²	38.3	62%	0.62	20%	0.204	S	C	*	.	H	α-helix	trans	-62.2	-40.5	178.7	-70.1	-26.9	0	0	0	111.4	P273 E274 L275 S281	P273-N277 VanDerWaalsContact O-CG 3.29Å; P273-N277 PolarHBondContact O-N 2.85Å; P273-N277 PolarHBondContact O-ND2 3.41Å; E274-N277 PolarHBondContact O-N 2.91Å; L275-N277 PolarHBondContact O-N 2.8Å; N277-S281 VanDerWaalsContact O-CB 3.25Å; N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.09Å
278	T	93.1	Very high	93.3	Very high	40 Å²	40	37.7 Å²	37.7	25%	0.245	20%	0.201	C	C	.	.	H	α-helix	trans	-63.5	-50.7	177.3	-55.2	0	0	0	0	111.1	A199 E274 L275 K276 K280 S281 L282	A199-T278 HydrophobicContact CB-CG2 3.62Å; E274-T278 PolarHBondContact O-N 3.44Å; E274-T278 PolarHBondContact O-OG1 3.31Å; L275-T278 WeakPolarHBondContact O-CB 3.5Å; L275-T278 PolarHBondContact O-N 3.24Å; K276-T278 VanDerWaalsContact C-N 3.29Å; K276-T278 PolarHBondContact O-N 3.37Å; T278-K280 PolarHBondContact O-N 2.96Å; T278-S281 PolarHBondContact O-N 2.66Å; T278-S281 VanDerWaalsContact O-N 3.15Å; T278-L282 HydrophobicContact CG2-CD1 3.65Å; T278-L282 HydrophobicContact CG2-CG 4.09Å; T278-L282 WeakPolarHBondContact O-CB 3.42Å; T278-L282 WeakPolarHBondContact O-CG 3.5Å; T278-L282 PolarHBondContact O-N 2.93Å
279	V	95.1	Very high	93.2	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-47.9	178.7	165.6	0	0	0	0	111.2	I265 V268 E269 L275 K276 S281 L282 F283 G284 Y307	I265-V279 HydrophobicContact CG2-CG1 3.42Å; I265-V279 VanDerWaalsContact CG2-CG1 3.42Å; V268-V279 HydrophobicContact CB-CG2 4.29Å; V268-V279 HydrophobicContact CG1-CG2 3.77Å; E269-V279 HydrophobicContact CB-CB 4.34Å; E269-V279 HydrophobicContact CB-CG1 4.11Å; E269-V279 HydrophobicContact CG-CB 4.48Å; E269-V279 HydrophobicContact CG-CG1 4.34Å; L275-V279 WeakPolarHBondContact O-CB 3.5Å; L275-V279 WeakPolarHBondContact O-CG2 3.49Å; L275-V279 PolarHBondContact O-N 2.77Å; K276-V279 PolarHBondContact O-N 2.71Å; V279-S281 VanDerWaalsContact C-N 3.27Å; V279-S281 PolarHBondContact O-N 2.84Å; V279-L282 PolarHBondContact O-N 3.36Å; V279-F283 PolarHBondContact O-N 3.17Å; V279-G284 PolarHBondContact O-N 3.13Å; V279-Y307 HydrophobicContact CG1-CE1 3.8Å
280	K	95	Very high	93.1	Very high	41 Å²	41	37.8 Å²	37.8	18%	0.178	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-29.6	177.5	-71.6	-71	-173.9	-170.7	0	113.2	E269 K276 T278 G284 E305 Y307	E269-K280 WeakPolarHBondContact OE1-CE 3.1Å; E269-K280 IonicContact OE1-NZ 2.78Å; E269-K280 IonicContact OE2-NZ 2.8Å; K276-K280 WeakPolarHBondContact O-CB 3.35Å; K276-K280 WeakPolarHBondContact O-CG 3.18Å; K276-K280 PolarHBondContact O-N 2.9Å; T278-K280 PolarHBondContact O-N 2.96Å; K280-G284 WeakPolarHBondContact O-CA 3.24Å; K280-G284 PolarHBondContact O-N 2.93Å; K280-E305 IonicContact NZ-OE1 3.27Å; K280-E305 IonicContact NZ-OE2 2.75Å; K280-E305 PolarHBondContact NZ-OE2 3.04Å; K280-Y307 WeakPolarHBondContact CD-OH 3.45Å; K280-Y307 WeakPolarHBondContact CE-OH 3.32Å; K280-Y307 PolarHBondContact NZ-OH 2.74Å
281	S	94.1	Very high	92.9	Very high	55 Å²	55	34.2 Å²	34.2	39%	0.385	19%	0.186	S	C	.	.	H	α-helix	trans	-78.4	-40.4	175.6	-175.9	0	0	0	0	112.2	N277 T278 V279	N277-S281 VanDerWaalsContact O-CB 3.25Å; N277-S281 WeakPolarHBondContact O-CB 3.42Å; N277-S281 PolarHBondContact O-N 3.09Å; T278-S281 PolarHBondContact O-N 2.66Å; T278-S281 VanDerWaalsContact O-N 3.15Å; V279-S281 VanDerWaalsContact C-N 3.27Å; V279-S281 PolarHBondContact O-N 2.84Å
282	L	95.1	Very high	92.8	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-78.6	-49.7	-176.3	-70.1	-178.6	0	0	0	111.8	E195 A196 T278 V279 P359 R360 I361	E195-L282 HydrophobicContact CB-CD1 3.89Å; E195-L282 HydrophobicContact CB-CD2 3.77Å; E195-L282 HydrophobicContact CB-CG 4.42Å; E195-L282 HydrophobicContact CG-CD2 4.26Å; A196-L282 HydrophobicContact CB-CD1 3.98Å; T278-L282 HydrophobicContact CG2-CD1 3.65Å; T278-L282 HydrophobicContact CG2-CG 4.09Å; T278-L282 WeakPolarHBondContact O-CB 3.42Å; T278-L282 WeakPolarHBondContact O-CG 3.5Å; T278-L282 PolarHBondContact O-N 2.93Å; V279-L282 PolarHBondContact O-N 3.36Å; L282-P359 WeakPolarHBondContact O-CB 3.26Å; L282-R360 HydrophobicContact CD2-CB 4.37Å; L282-R360 PolarHBondContact O-N 2.85Å; L282-I361 WeakPolarHBondContact O-CA 3.44Å; L282-I361 PolarHBondContact O-N 2.82Å
283	F	96.7	Very high	92.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-19.1	-169.7	-57.7	-75.9	0	0	0	113.8	L190 I193 F261 I265 V279 G285 Y307 P359 I361	L190-F283 HydrophobicContact CD1-CE2 4.07Å; L190-F283 HydrophobicContact CD1-CZ 3.85Å; I193-F283 HydrophobicContact CD1-CE1 4.02Å; I193-F283 HydrophobicContact CD1-CZ 3.82Å; F261-F283 HydrophobicContact CE2-CE1 4.48Å; F261-F283 HydrophobicContact CZ-CD1 4.05Å; F261-F283 AromaticContact CZ-CE1 4Å; F261-F283 HydrophobicContact CZ-CE1 4Å; I265-F283 HydrophobicContact CD1-CD2 3.95Å; I265-F283 HydrophobicContact CD1-CE2 3.74Å; I265-F283 HydrophobicContact CD1-CZ 4.21Å; I265-F283 HydrophobicContact CG2-CD2 4.47Å; V279-F283 PolarHBondContact O-N 3.17Å; F283-G285 PolarHBondContact O-N 3.13Å; F283-Y307 HydrophobicContact CB-CD1 3.85Å; F283-P359 VanDerWaalsContact C-CB 3.47Å; F283-P359 WeakPolarHBondContact O-CB 3.47Å; F283-I361 HydrophobicContact CD1-CB 3.95Å; F283-I361 HydrophobicContact CD1-CG2 4.07Å; F283-I361 HydrophobicContact CE1-CB 3.84Å; F283-I361 HydrophobicContact CE1-CG1 4.38Å; F283-I361 HydrophobicContact CE1-CG2 3.69Å
284	G	95.8	Very high	92.7	Very high	6 Å²	6	35.3 Å²	35.3	6%	0.062	19%	0.189	C	C	.	.			trans	-77.6	109.4	-174.3	0	0	0	0	0	114.4	V279 K280	V279-G284 PolarHBondContact O-N 3.13Å; K280-G284 WeakPolarHBondContact O-CA 3.24Å; K280-G284 PolarHBondContact O-N 2.93Å
285	G	95.3	Very high	92.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	171.3	170.3	0	0	0	0	0	113.3	F283 E305 F306 K357	F283-G285 PolarHBondContact O-N 3.13Å; G285-E305 WeakPolarHBondContact O-CA 3.49Å; G285-F306 VanDerWaalsContact C-CD1 3.41Å; G285-F306 VanDerWaalsContact CA-CE1 3.48Å; G285-F306 PolarHBondContact N-O 3.06Å; G285-F306 PolarHBondContact O-N 3.47Å; G285-K357 CarbonylContact C-O 3.47Å; G285-K357 VanDerWaalsContact CA-O 3.23Å; G285-K357 WeakPolarHBondContact CA-O 3.43Å
286	V	96.3	Very high	92.3	Very high	29 Å²	29	35.1 Å²	35.1	18%	0.176	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.2	175.7	-177.6	0	0	0	0	110.1	A303 E304 E305 F306 K356 K357	V286-A303 HydrophobicContact CG1-CB 4Å; V286-E304 WeakPolarHBondContact CA-O 3.3Å; V286-E305 HydrophobicContact CG2-CG 4.46Å; V286-F306 VanDerWaalsContact N-CE1 3.28Å; V286-K356 HydrophobicContact CG1-CB 4.44Å; V286-K356 PolarHBondContact O-N 3.2Å; V286-K357 HydrophobicContact CB-CB 3.99Å; V286-K357 HydrophobicContact CG2-CB 4.1Å; V286-K357 HydrophobicContact CG2-CD 4.43Å; V286-K357 PolarHBondContact N-O 2.76Å; V286-K357 PolarHBondContact O-N 3.42Å; V286-K357 VanDerWaalsContact O-N 3.16Å
287	I	94.4	Very high	91.8	Very high	31 Å²	31	40 Å²	40	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.4	168.9	-72.8	162.8	0	0	0	108.5	A303 E304 F306 A353 C354 F355	I287-A303 WeakPolarHBondContact O-CA 3.35Å; I287-E304 PolarHBondContact N-O 3.2Å; I287-E304 PolarHBondContact O-N 2.91Å; I287-F306 HydrophobicContact CB-CD1 4.32Å; I287-F306 HydrophobicContact CD1-CD1 3.67Å; I287-F306 HydrophobicContact CD1-CE1 4.01Å; I287-F306 HydrophobicContact CD1-CG 4.14Å; I287-F306 HydrophobicContact CG1-CD1 3.57Å; I287-F306 HydrophobicContact CG1-CE1 3.62Å; I287-A353 HydrophobicContact CG2-CB 4.15Å; I287-C354 CarbonylContact C-O 3.42Å; I287-C354 WeakPolarHBondContact CA-O 3.29Å; I287-F355 HydrophobicContact CD1-CD1 4.22Å; I287-F355 HydrophobicContact CD1-CE1 3.69Å; I287-F355 HydrophobicContact CD1-CZ 4.23Å; I287-F355 HydrophobicContact CG1-CD1 3.68Å; I287-F355 HydrophobicContact CG1-CE1 3.69Å; I287-F355 HydrophobicContact CG1-CG 4.43Å; I287-F355 HydrophobicContact CG1-CZ 4.44Å
288	T	93.9	Very high	91.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.4	172.5	46.2	0	0	0	0	110.8	Q301 T302 A303 A353 C354 K356 E398	T288-Q301 HydrophobicContact CG2-CG 4.18Å; T288-T302 CarbonylContact C-O 3.58Å; T288-T302 WeakPolarHBondContact CA-O 3.33Å; T288-A303 HydrophobicContact CG2-CB 4.06Å; T288-A353 CarbonylContact O-C 3.54Å; T288-A353 VanDerWaalsContact O-CA 3.3Å; T288-A353 WeakPolarHBondContact O-CA 3.34Å; T288-C354 PolarHBondContact N-O 2.96Å; T288-C354 PolarHBondContact O-N 3.32Å; T288-C354 PolarHBondContact OG1-O 3.42Å; T288-K356 HydrophobicContact CG2-CB 3.89Å; T288-K356 HydrophobicContact CG2-CD 3.59Å; T288-K356 HydrophobicContact CG2-CG 4.39Å; T288-E398 WeakPolarHBondContact CB-OE1 3.13Å; T288-E398 PolarHBondContact OG1-OE1 3.33Å
289	N	91.9	Very high	90.9	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	106.2	168.2	-73.5	-61.6	0	0	0	108.3	Q301 T302	N289-Q301 WeakPolarHBondContact O-CA 3.44Å; N289-T302 PolarHBondContact N-O 2.92Å; N289-T302 PolarHBondContact O-N 3.26Å
290	N	89.8	Confident	90.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.5	179.5	-67.6	-55.4	0	0	0	109.6	Q301 K351 R352 E398 M402	N290-Q301 VanDerWaalsContact OD1-CG 3.31Å; N290-Q301 WeakPolarHBondContact OD1-CG 3.35Å; N290-Q301 PolarHBondContact OD1-NE2 3.41Å; N290-K351 CarbonylContact O-C 3.57Å; N290-K351 WeakPolarHBondContact O-CA 3.3Å; N290-R352 PolarHBondContact N-O 3.27Å; N290-R352 PolarHBondContact O-N 3.38Å; N290-E398 PolarHBondContact ND2-OE1 3.44Å; N290-M402 HydrophobicContact CB-CE 4.4Å
291	V	89.2	Confident	90.2	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.085	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	106	173.8	-177.4	0	0	0	0	108.2	V299 S300 Y338 A349 E350 K351	V291-V299 WeakPolarHBondContact O-CA 3.39Å; V291-S300 PolarHBondContact N-O 3.24Å; V291-S300 PolarHBondContact O-N 3.01Å; V291-Y338 HydrophobicContact CG1-CD1 3.8Å; V291-Y338 HydrophobicContact CG1-CD2 4Å; V291-Y338 HydrophobicContact CG1-CE1 3.95Å; V291-Y338 HydrophobicContact CG1-CE2 4.16Å; V291-Y338 HydrophobicContact CG1-CG 3.82Å; V291-A349 HydrophobicContact CG1-CB 3.65Å; V291-E350 CarbonylContact C-O 3.52Å; V291-E350 WeakPolarHBondContact CA-O 3.41Å; V291-K351 HydrophobicContact CG2-CB 4.26Å; V291-K351 HydrophobicContact CG2-CG 4.04Å
292	V	88.5	Confident	90.1	Very high	43 Å²	43	42.7 Å²	42.7	26%	0.261	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.9	179.9	-178.4	0	0	0	0	108.5	V299 A349 E350 M402	V292-V299 HydrophobicContact CG1-CG2 4.32Å; V292-V299 HydrophobicContact CG2-CG1 4.1Å; V292-V299 HydrophobicContact CG2-CG2 4.25Å; V292-A349 CarbonylContact O-C 3.52Å; V292-A349 VanDerWaalsContact O-CA 3.23Å; V292-A349 WeakPolarHBondContact O-CA 3.2Å; V292-A349 WeakPolarHBondContact O-CB 3.45Å; V292-E350 PolarHBondContact N-O 3.15Å; V292-E350 PolarHBondContact O-N 3.47Å; V292-M402 HydrophobicContact CG2-CE 4.11Å
293	S	86.3	Confident	90	Very high	9 Å²	9	45.4 Å²	45.4	6%	0.063	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.5	174.5	178.6	0	0	0	0	111	D295 C296 H298 V347	S293-D295 PolarHBondContact OG-N 2.96Å; S293-C296 WeakPolarHBondContact CB-O 3.48Å; S293-C296 VanDerWaalsContact CB-SG 3.52Å; S293-C296 PolarHBondContact OG-N 3.35Å; S293-C296 VanDerWaalsContact OG-N 3.1Å; S293-C296 PolarHBondContact OG-O 2.74Å; S293-C296 PolarHBondContact OG-SG 2.83Å; S293-H298 WeakPolarHBondContact CB-O 3.37Å; S293-H298 PolarHBondContact N-O 2.68Å; S293-V347 WeakPolarHBondContact OG-CG2 3.41Å
294	L	87.5	Confident	89.9	Confident	77 Å²	77	50.5 Å²	50.5	40%	0.403	28%	0.279	S	S	.	.	S	Bend	trans	-90.1	-17.9	173.4	-66.8	177.9	0	0	0	112.5	R348 E350	L294-R348 HydrophobicContact CB-CB 4.26Å; L294-R348 HydrophobicContact CD1-CB 4.26Å; L294-R348 PolarHBondContact N-O 3.12Å; L294-E350 HydrophobicContact CD1-CG 3.91Å; L294-E350 HydrophobicContact CD2-CG 3.98Å; L294-E350 HydrophobicContact CG-CG 3.97Å
295	D	86.8	Confident	89.8	Confident	80 Å²	80	56.4 Å²	56.4	43%	0.428	31%	0.305	S	S	.	.	S	Bend	trans	-108.5	-2	-175	-53	-40.8	0	0	0	112.4	S293 V347 R348	S293-D295 PolarHBondContact OG-N 2.96Å; D295-V347 HydrophobicContact CB-CB 4.15Å; D295-V347 HydrophobicContact CB-CG1 4.17Å; D295-R348 IonicContact OD1-CZ 3.27Å; D295-R348 IonicContact OD1-NE 3.69Å; D295-R348 PolarHBondContact OD1-NE 3.3Å; D295-R348 IonicContact OD1-NH2 3.52Å; D295-R348 PolarHBondContact OD1-NH2 2.96Å; D295-R348 PolarHBondContact OD2-N 3.39Å; D295-R348 IonicContact OD2-NE 2.86Å
296	C	85.8	Confident	89.8	Confident	44 Å²	44	57.3 Å²	57.3	30%	0.297	31%	0.309	S	S	.	.	S	Bend	trans	-156.6	167.5	171.9	71.3	0	0	0	0	112.3	S293 H298	S293-C296 WeakPolarHBondContact CB-O 3.48Å; S293-C296 VanDerWaalsContact CB-SG 3.52Å; S293-C296 PolarHBondContact OG-N 3.35Å; S293-C296 VanDerWaalsContact OG-N 3.1Å; S293-C296 PolarHBondContact OG-O 2.74Å; S293-C296 PolarHBondContact OG-SG 2.83Å; C296-H298 PolarHBondContact O-N 2.9Å; C296-H298 VanDerWaalsContact O-N 3.17Å
297	E	83.6	Confident	89.7	Confident	201 Å²	201	57.5 Å²	57.5	94%	0.939	31%	0.307	S	S	*	.	S	Bend	trans	-76.9	6.1	-177.6	-61.4	-176.8	169.6	0	0	114.7
298	H	82.4	Confident	89.8	Confident	45 Å²	45	57.3 Å²	57.3	21%	0.208	31%	0.307	C	S	.	.			trans	-79.4	127.9	-176.9	-177	67.6	0	0	0	111.8	S293 C296 C340 S341 H342	S293-H298 WeakPolarHBondContact CB-O 3.37Å; S293-H298 PolarHBondContact N-O 2.68Å; C296-H298 PolarHBondContact O-N 2.9Å; C296-H298 VanDerWaalsContact O-N 3.17Å; H298-C340 PolarHBondContact CD2-SG 3.42Å; H298-S341 PolarHBondContact NE2-OG 2.97Å; H298-H342 HydrophobicContact CB-CB 4.22Å
299	V	84.5	Confident	89.9	Confident	77 Å²	77	57.6 Å²	57.6	47%	0.467	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.2	169.8	-177.2	0	0	0	0	108.5	V291 V292	V291-V299 WeakPolarHBondContact O-CA 3.39Å; V292-V299 HydrophobicContact CG1-CG2 4.32Å; V292-V299 HydrophobicContact CG2-CG1 4.1Å; V292-V299 HydrophobicContact CG2-CG2 4.25Å
300	S	86.6	Confident	90	Very high	26 Å²	26	64.3 Å²	64.3	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.9	172.4	-180	0	0	0	0	109	V291 Y338	V291-S300 PolarHBondContact N-O 3.24Å; V291-S300 PolarHBondContact O-N 3.01Å; S300-Y338 VanDerWaalsContact CB-OH 3.28Å; S300-Y338 WeakPolarHBondContact CB-OH 3.45Å; S300-Y338 PolarHBondContact OG-OH 2.94Å
301	Q	88.8	Confident	90.2	Very high	94 Å²	94	64 Å²	64	44%	0.439	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.7	178.8	-177.9	177.8	50	0	0	109.3	T288 N289 N290 E398	T288-Q301 HydrophobicContact CG2-CG 4.18Å; N289-Q301 WeakPolarHBondContact O-CA 3.44Å; N290-Q301 VanDerWaalsContact OD1-CG 3.31Å; N290-Q301 WeakPolarHBondContact OD1-CG 3.35Å; N290-Q301 PolarHBondContact OD1-NE2 3.41Å; Q301-E398 PolarHBondContact NE2-OE1 2.91Å
302	T	91.9	Very high	90.4	Very high	73 Å²	73	67.2 Å²	67.2	45%	0.448	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.9	173	-54.1	0	0	0	0	108.8	T288 N289	T288-T302 CarbonylContact C-O 3.58Å; T288-T302 WeakPolarHBondContact CA-O 3.33Å; N289-T302 PolarHBondContact N-O 2.92Å; N289-T302 PolarHBondContact O-N 3.26Å
303	A	94.2	Very high	90.6	Very high	64 Å²	64	65.1 Å²	65.1	53%	0.529	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.7	178.9	0	0	0	0	0	110.8	V286 I287 T288	V286-A303 HydrophobicContact CG1-CB 4Å; I287-A303 WeakPolarHBondContact O-CA 3.35Å; T288-A303 HydrophobicContact CG2-CB 4.06Å
304	E	94.3	Very high	90.8	Very high	109 Å²	109	65.7 Å²	65.7	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.5	179.4	-69	173.1	-163.6	0	0	109.6	V286 I287	V286-E304 WeakPolarHBondContact CA-O 3.3Å; I287-E304 PolarHBondContact N-O 3.2Å; I287-E304 PolarHBondContact O-N 2.91Å
305	E	94.5	Very high	90.8	Very high	130 Å²	130	69.7 Å²	69.7	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	144.6	175.6	-64.2	-174.9	151.9	0	0	110.4	K280 G285 V286	K280-E305 IonicContact NZ-OE1 3.27Å; K280-E305 IonicContact NZ-OE2 2.75Å; K280-E305 PolarHBondContact NZ-OE2 3.04Å; G285-E305 WeakPolarHBondContact O-CA 3.49Å; V286-E305 HydrophobicContact CG2-CG 4.46Å
306	F	94.8	Very high	91.2	Very high	20 Å²	20	67.5 Å²	67.5	9%	0.088	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.3	175.5	73	-90.4	0	0	0	111.4	G285 V286 I287 V309 F355 P359 L362	G285-F306 VanDerWaalsContact C-CD1 3.41Å; G285-F306 VanDerWaalsContact CA-CE1 3.48Å; G285-F306 PolarHBondContact N-O 3.06Å; G285-F306 PolarHBondContact O-N 3.47Å; V286-F306 VanDerWaalsContact N-CE1 3.28Å; I287-F306 HydrophobicContact CB-CD1 4.32Å; I287-F306 HydrophobicContact CD1-CD1 3.67Å; I287-F306 HydrophobicContact CD1-CE1 4.01Å; I287-F306 HydrophobicContact CD1-CG 4.14Å; I287-F306 HydrophobicContact CG1-CD1 3.57Å; I287-F306 HydrophobicContact CG1-CE1 3.62Å; F306-V309 HydrophobicContact CD2-CG2 3.75Å; F306-V309 HydrophobicContact CE2-CG2 3.44Å; F306-V309 VanDerWaalsContact CE2-CG2 3.44Å; F306-V309 HydrophobicContact CZ-CG2 4.14Å; F306-F355 AromaticContact CE1-CD1 3.8Å; F306-F355 HydrophobicContact CE1-CD1 3.8Å; F306-F355 HydrophobicContact CE1-CE1 4.01Å; F306-F355 HydrophobicContact CE2-CE1 4.41Å; F306-F355 AromaticContact CZ-CD1 3.74Å; F306-F355 HydrophobicContact CZ-CD1 3.74Å; F306-F355 AromaticContact CZ-CE1 3.77Å; F306-F355 HydrophobicContact CZ-CE1 3.77Å; F306-P359 HydrophobicContact CE2-CG 4.4Å; F306-L362 HydrophobicContact CE2-CD1 4.04Å; F306-L362 HydrophobicContact CZ-CD1 4.49Å
307	Y	94.8	Very high	91.5	Very high	33 Å²	33	72.1 Å²	72.1	13%	0.129	36%	0.361	C	S	.	.	S	Bend	trans	-111.7	-23.3	170.4	-66.5	-73.9	0	0	0	112.6	I265 E269 V279 K280 F283	I265-Y307 HydrophobicContact CG2-CD1 3.96Å; I265-Y307 HydrophobicContact CG2-CE1 4.17Å; I265-Y307 HydrophobicContact CG2-CG 4.47Å; E269-Y307 PolarHBondContact OE2-OH 2.84Å; V279-Y307 HydrophobicContact CG1-CE1 3.8Å; K280-Y307 WeakPolarHBondContact CD-OH 3.45Å; K280-Y307 WeakPolarHBondContact CE-OH 3.32Å; K280-Y307 PolarHBondContact NZ-OH 2.74Å; F283-Y307 HydrophobicContact CB-CD1 3.85Å
308	T	95.8	Very high	92.1	Very high	27 Å²	27	64.2 Å²	64.2	17%	0.166	33%	0.325	C	S	.	.	S	Bend	trans	-135.7	141.8	177.5	57.9	0	0	0	0	109.3	F261 S363 M511	F261-T308 HydrophobicContact CD1-CG2 3.97Å; F261-T308 HydrophobicContact CE1-CG2 3.87Å; T308-S363 CarbonylContact C-O 3.46Å; T308-S363 WeakPolarHBondContact CA-O 2.98Å; T308-M511 HydrophobicContact CG2-CE 3.98Å
309	V	95.6	Very high	92.8	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.3	172.5	179.7	0	0	0	0	108	F306 L323 F355 L362 S363 F364 N365	F306-V309 HydrophobicContact CD2-CG2 3.75Å; F306-V309 HydrophobicContact CE2-CG2 3.44Å; F306-V309 VanDerWaalsContact CE2-CG2 3.44Å; F306-V309 HydrophobicContact CZ-CG2 4.14Å; V309-L323 HydrophobicContact CG1-CD2 4.49Å; V309-F355 HydrophobicContact CG1-CZ 4.04Å; V309-F355 HydrophobicContact CG2-CE1 3.8Å; V309-F355 HydrophobicContact CG2-CZ 4.14Å; V309-L362 HydrophobicContact CG2-CD1 3.95Å; V309-S363 PolarHBondContact N-O 2.72Å; V309-F364 HydrophobicContact CB-CD1 3.64Å; V309-F364 HydrophobicContact CB-CE1 3.8Å; V309-F364 HydrophobicContact CG1-CD1 3.93Å; V309-F364 HydrophobicContact CG1-CE1 3.89Å; V309-F364 HydrophobicContact CG2-CE1 4.31Å; V309-F364 CarbonylContact O-C 2.89Å; V309-F364 WeakPolarHBondContact O-CA 3.27Å; V309-N365 PolarHBondContact O-N 2.84Å
310	R	94.1	Very high	93.4	Very high	173 Å²	173	62.8 Å²	62.8	65%	0.653	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.3	177.1	-67	-179.4	-179.9	158.5	-0.8	109.5	M367	R310-M367 HydrophobicContact CB-CG 4.01Å; R310-M367 HydrophobicContact CB-SD 4.06Å; R310-M367 HydrophobicContact CG-SD 3.93Å
311	C	93.8	Very high	93.8	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.2	175.7	-72.2	0	0	0	0	109.9	V313 S322 F364 N365 M367 F385	C311-V313 PolarHBondContact O-N 2.76Å; C311-S322 WeakPolarHBondContact CA-OG 3.26Å; C311-S322 VanDerWaalsContact CB-OG 3.31Å; C311-S322 WeakPolarHBondContact CB-OG 3.28Å; C311-F364 WeakPolarHBondContact SG-CD1 3.37Å; C311-N365 PolarHBondContact N-O 2.99Å; C311-M367 WeakPolarHBondContact O-CB 3.32Å; C311-M367 PolarHBondContact O-N 3.03Å; C311-F385 HydrophobicContact CB-CZ 4.38Å
312	Q	93.8	Very high	94.1	Very high	80 Å²	80	59.9 Å²	59.9	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.1	169.1	-171.5	63.9	15.9	0	0	110	M316 S322	Q312-M316 WeakPolarHBondContact O-CG 3.43Å; Q312-S322 PolarHBondContact N-OG 3.33Å; Q312-S322 WeakPolarHBondContact O-CB 3.49Å; Q312-S322 PolarHBondContact O-OG 3.4Å
313	V	92.9	Very high	94.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.			trans	-108.3	-35.8	179.2	176.1	0	0	0	0	112.3	C311 D315 M316 R368 V381 F385	C311-V313 PolarHBondContact O-N 2.76Å; V313-D315 PolarHBondContact O-N 3.49Å; V313-M316 PolarHBondContact O-N 3.42Å; V313-R368 HydrophobicContact CB-CG 4.15Å; V313-R368 HydrophobicContact CG1-CG 4.14Å; V313-R368 HydrophobicContact CG2-CG 3.89Å; V313-V381 HydrophobicContact CG1-CG1 4.13Å; V313-F385 HydrophobicContact CB-CD2 4.34Å; V313-F385 HydrophobicContact CG1-CB 3.84Å; V313-F385 HydrophobicContact CG1-CD2 4.05Å; V313-F385 HydrophobicContact CG1-CG 4.06Å; V313-F385 HydrophobicContact CG2-CD1 4.37Å; V313-F385 HydrophobicContact CG2-CD2 4.08Å; V313-F385 HydrophobicContact CG2-CE1 4.48Å; V313-F385 HydrophobicContact CG2-CE2 4.19Å; V313-F385 HydrophobicContact CG2-CG 4.15Å; V313-F385 HydrophobicContact CG2-CZ 4.38Å
314	A	89.9	Confident	94.3	Very high	20 Å²	20	57.4 Å²	57.4	17%	0.165	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131.1	175.7	0	0	0	0	0	109.4	M316 T370 V381	A314-M316 PolarHBondContact O-N 3.35Å; A314-M316 VanDerWaalsContact O-N 3.17Å; A314-T370 HydrophobicContact CB-CG2 4.38Å; A314-V381 HydrophobicContact CB-CG1 4.37Å; A314-V381 HydrophobicContact CB-CG2 4.38Å
315	D	88.8	Confident	94.2	Very high	162 Å²	162	56.9 Å²	56.9	87%	0.866	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	9.2	-177.1	-52.2	-47.1	0	0	0	116.4	V313	V313-D315 PolarHBondContact O-N 3.49Å
316	M	93.6	Very high	94	Very high	33 Å²	33	52.9 Å²	52.9	16%	0.163	25%	0.251	C	S	.	.			trans	-110.5	136.8	178.1	-57.4	-61.5	169.2	0	0	111.2	Q312 V313 A314 E321 E325 F385	Q312-M316 WeakPolarHBondContact O-CG 3.43Å; V313-M316 PolarHBondContact O-N 3.42Å; A314-M316 PolarHBondContact O-N 3.35Å; A314-M316 VanDerWaalsContact O-N 3.17Å; M316-E321 HydrophobicContact SD-CB 3.86Å; M316-E325 HydrophobicContact CE-CB 4.12Å; M316-E325 HydrophobicContact CE-CG 4.14Å; M316-F385 HydrophobicContact CB-CD2 4.29Å; M316-F385 HydrophobicContact CB-CE2 4.18Å
317	K	93.5	Very high	93.9	Very high	142 Å²	142	52.1 Å²	52.1	62%	0.617	25%	0.248	S	C	*	.	S	Bend	trans	-89.1	-26.7	-179.6	-63.3	175	-176.1	167.1	0	113.4	E321 F385 S386	K317-E321 WeakPolarHBondContact CB-OE2 3.23Å; K317-E321 PolarHBondContact N-OE2 3.37Å; K317-F385 WeakPolarHBondContact O-CA 3.14Å; K317-S386 PolarHBondContact O-N 3.48Å; K317-S386 PolarHBondContact O-OG 2.96Å
318	N	95.9	Very high	93.7	Very high	35 Å²	35	55 Å²	55	19%	0.187	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-156.4	169	-173.8	62.8	69	0	0	0	112.1	Y320 E321 S322 F385 S386	N318-Y320 VanDerWaalsContact C-N 3.27Å; N318-Y320 PolarHBondContact O-N 3.41Å; N318-Y320 WeakPolarHBondContact OD1-CA 3.2Å; N318-Y320 VanDerWaalsContact OD1-CB 3.26Å; N318-Y320 WeakPolarHBondContact OD1-CB 3.45Å; N318-Y320 PolarHBondContact OD1-N 3.41Å; N318-E321 PolarHBondContact O-N 3.25Å; N318-E321 PolarHBondContact OD1-N 3.13Å; N318-E321 VanDerWaalsContact OD1-N 3.09Å; N318-S322 PolarHBondContact O-N 3.05Å; N318-F385 VanDerWaalsContact C-CE2 3.41Å; N318-F385 VanDerWaalsContact O-CE2 3.3Å; N318-F385 WeakPolarHBondContact O-CE2 3.29Å; N318-S386 CarbonylContact C-O 3.53Å; N318-S386 WeakPolarHBondContact CA-O 3.33Å; N318-S386 VanDerWaalsContact CB-O 3.31Å; N318-S386 WeakPolarHBondContact CB-O 3.37Å; N318-S386 WeakPolarHBondContact CB-OG 3.4Å
319	I	96.5	Very high	93.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-29	-179.2	-163.5	169.8	0	0	0	114	S322 L323 F364 F385 S386 F387 P388 L391 L512 Y514	I319-S322 WeakPolarHBondContact O-CB 3.27Å; I319-S322 PolarHBondContact O-N 3.21Å; I319-L323 HydrophobicContact CG1-CD1 4.23Å; I319-L323 HydrophobicContact CG1-CG 4.45Å; I319-L323 WeakPolarHBondContact O-CG 3.3Å; I319-L323 PolarHBondContact O-N 3.05Å; I319-F364 HydrophobicContact CD1-CD1 4.29Å; I319-F364 HydrophobicContact CD1-CD2 3.86Å; I319-F364 HydrophobicContact CD1-CE1 4.33Å; I319-F364 HydrophobicContact CD1-CE2 3.88Å; I319-F364 HydrophobicContact CD1-CG 4.05Å; I319-F364 HydrophobicContact CD1-CZ 4.1Å; I319-F385 HydrophobicContact CB-CE1 4.27Å; I319-F385 HydrophobicContact CB-CZ 4Å; I319-F385 HydrophobicContact CG1-CZ 4.37Å; I319-S386 PolarHBondContact N-O 3.42Å; I319-F387 HydrophobicContact CB-CB 4.26Å; I319-F387 HydrophobicContact CG2-CB 4.18Å; I319-P388 HydrophobicContact CG2-CG 4.47Å; I319-L391 HydrophobicContact CD1-CD2 4.32Å; I319-L391 HydrophobicContact CG2-CD1 4.15Å; I319-L512 HydrophobicContact CD1-CD1 4.07Å; I319-Y514 HydrophobicContact CD1-CE2 4.37Å
320	Y	96.6	Very high	93	Very high	91 Å²	91	62.5 Å²	62.5	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-68.1	-44.8	179.4	-59.8	-78.8	0	0	0	111.4	N318 S322 L323 D324 P388 L391 Y396	N318-Y320 VanDerWaalsContact C-N 3.27Å; N318-Y320 PolarHBondContact O-N 3.41Å; N318-Y320 WeakPolarHBondContact OD1-CA 3.2Å; N318-Y320 VanDerWaalsContact OD1-CB 3.26Å; N318-Y320 WeakPolarHBondContact OD1-CB 3.45Å; N318-Y320 PolarHBondContact OD1-N 3.41Å; Y320-S322 PolarHBondContact O-N 2.88Å; Y320-L323 PolarHBondContact O-N 3.08Å; Y320-L323 VanDerWaalsContact O-N 3.11Å; Y320-D324 WeakPolarHBondContact O-CB 3.3Å; Y320-D324 PolarHBondContact O-N 3.21Å; Y320-P388 HydrophobicContact CE2-CG 4.08Å; Y320-L391 HydrophobicContact CD1-CD1 4.23Å; Y320-L391 HydrophobicContact CE1-CD1 3.64Å; Y320-Y396 PolarHBondContact O-OH 3.08Å
321	E	96.1	Very high	92.9	Very high	60 Å²	60	57.3 Å²	57.3	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-38.1	175.1	-67.8	176.3	-176.1	0	0	111.3	M316 K317 N318 D324 E325	M316-E321 HydrophobicContact SD-CB 3.86Å; K317-E321 WeakPolarHBondContact CB-OE2 3.23Å; K317-E321 PolarHBondContact N-OE2 3.37Å; N318-E321 PolarHBondContact O-N 3.25Å; N318-E321 PolarHBondContact OD1-N 3.13Å; N318-E321 VanDerWaalsContact OD1-N 3.09Å; E321-D324 PolarHBondContact O-N 3.26Å; E321-E325 PolarHBondContact O-N 3.2Å; E321-E325 VanDerWaalsContact O-N 3.1Å
322	S	95.5	Very high	92.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-40.3	175.3	-155.8	0	0	0	0	113	C311 Q312 N318 I319 Y320 E325 V326	C311-S322 WeakPolarHBondContact CA-OG 3.26Å; C311-S322 VanDerWaalsContact CB-OG 3.31Å; C311-S322 WeakPolarHBondContact CB-OG 3.28Å; Q312-S322 PolarHBondContact N-OG 3.33Å; Q312-S322 WeakPolarHBondContact O-CB 3.49Å; Q312-S322 PolarHBondContact O-OG 3.4Å; N318-S322 PolarHBondContact O-N 3.05Å; I319-S322 WeakPolarHBondContact O-CB 3.27Å; I319-S322 PolarHBondContact O-N 3.21Å; Y320-S322 PolarHBondContact O-N 2.88Å; S322-E325 PolarHBondContact O-N 2.89Å; S322-V326 WeakPolarHBondContact O-CG2 3.27Å; S322-V326 PolarHBondContact O-N 3.14Å; S322-V326 VanDerWaalsContact O-N 3.16Å
323	L	95.1	Very high	92.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.9	-35.1	177.4	-74.2	169.1	0	0	0	112.6	V309 I319 Y320 E325 V326 T327 F355 F364 L391 M393 Y396	V309-L323 HydrophobicContact CG1-CD2 4.49Å; I319-L323 HydrophobicContact CG1-CD1 4.23Å; I319-L323 HydrophobicContact CG1-CG 4.45Å; I319-L323 WeakPolarHBondContact O-CG 3.3Å; I319-L323 PolarHBondContact O-N 3.05Å; Y320-L323 PolarHBondContact O-N 3.08Å; Y320-L323 VanDerWaalsContact O-N 3.11Å; L323-E325 VanDerWaalsContact C-N 3.29Å; L323-V326 PolarHBondContact O-N 2.7Å; L323-T327 PolarHBondContact O-N 3.3Å; L323-T327 VanDerWaalsContact O-N 3.1Å; L323-T327 PolarHBondContact O-OG1 2.85Å; L323-T327 VanDerWaalsContact O-OG1 3.12Å; L323-F355 HydrophobicContact CD2-CE2 4.47Å; L323-F364 HydrophobicContact CD2-CE1 3.93Å; L323-F364 HydrophobicContact CD2-CZ 4.5Å; L323-L391 HydrophobicContact CD1-CD1 4.3Å; L323-M393 HydrophobicContact CD1-CE 4.46Å; L323-M393 HydrophobicContact CD1-SD 3.78Å; L323-M393 HydrophobicContact CD2-CE 4.04Å; L323-M393 HydrophobicContact CD2-SD 4.39Å; L323-Y396 HydrophobicContact CB-CD1 4.09Å; L323-Y396 HydrophobicContact CB-CD2 4.25Å; L323-Y396 HydrophobicContact CB-CE1 3.6Å; L323-Y396 HydrophobicContact CB-CE2 3.8Å; L323-Y396 HydrophobicContact CB-CG 4.39Å; L323-Y396 VanDerWaalsContact CB-CZ 3.44Å; L323-Y396 HydrophobicContact CD1-CD2 4.12Å; L323-Y396 HydrophobicContact CD1-CE2 3.68Å; L323-Y396 HydrophobicContact CG-CE2 4.33Å
324	D	93.9	Very high	92.2	Very high	85 Å²	85	62.5 Å²	62.5	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-43.4	172.3	-68.7	-13.9	0	0	0	109.9	Y320 E321 T327 I328 Y396	Y320-D324 WeakPolarHBondContact O-CB 3.3Å; Y320-D324 PolarHBondContact O-N 3.21Å; E321-D324 PolarHBondContact O-N 3.26Å; D324-T327 CarbonylContact O-C 3.59Å; D324-T327 PolarHBondContact O-N 3.38Å; D324-T327 PolarHBondContact O-OG1 2.94Å; D324-I328 PolarHBondContact O-N 2.86Å; D324-Y396 WeakPolarHBondContact OD1-CE1 3.48Å; D324-Y396 PolarHBondContact OD1-OH 3.06Å
325	E	92.6	Very high	92	Very high	98 Å²	98	69.1 Å²	69.1	46%	0.458	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-41.3	175.1	-174	64.1	-167.9	0	0	112.2	M316 E321 S322 L323 T327 I328	M316-E325 HydrophobicContact CE-CB 4.12Å; M316-E325 HydrophobicContact CE-CG 4.14Å; E321-E325 PolarHBondContact O-N 3.2Å; E321-E325 VanDerWaalsContact O-N 3.1Å; S322-E325 PolarHBondContact O-N 2.89Å; L323-E325 VanDerWaalsContact C-N 3.29Å; E325-T327 VanDerWaalsContact C-N 3.25Å; E325-T327 PolarHBondContact O-N 2.81Å; E325-I328 WeakPolarHBondContact O-CB 3.44Å; E325-I328 WeakPolarHBondContact O-CG2 3.32Å; E325-I328 PolarHBondContact O-N 3.31Å
326	V	90.8	Very high	92	Very high	45 Å²	45	67.3 Å²	67.3	27%	0.273	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-36.1	176.1	170.5	0	0	0	0	111.8	S322 L323 F355	S322-V326 WeakPolarHBondContact O-CG2 3.27Å; S322-V326 PolarHBondContact O-N 3.14Å; S322-V326 VanDerWaalsContact O-N 3.16Å; L323-V326 PolarHBondContact O-N 2.7Å; V326-F355 HydrophobicContact CG1-CE2 4.27Å; V326-F355 HydrophobicContact CG1-CZ 4.25Å
327	T	91.4	Very high	91.6	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.6	-177	63.2	0	0	0	0	113.6	L323 D324 E325 R352 F355 Y396 L401	L323-T327 PolarHBondContact O-N 3.3Å; L323-T327 VanDerWaalsContact O-N 3.1Å; L323-T327 PolarHBondContact O-OG1 2.85Å; L323-T327 VanDerWaalsContact O-OG1 3.12Å; D324-T327 CarbonylContact O-C 3.59Å; D324-T327 PolarHBondContact O-N 3.38Å; D324-T327 PolarHBondContact O-OG1 2.94Å; E325-T327 VanDerWaalsContact C-N 3.25Å; E325-T327 PolarHBondContact O-N 2.81Å; T327-R352 PolarHBondContact O-NE 2.96Å; T327-R352 PolarHBondContact O-NH2 3.03Å; T327-F355 HydrophobicContact CG2-CD2 4.27Å; T327-F355 HydrophobicContact CG2-CE2 4.12Å; T327-Y396 HydrophobicContact CG2-CD1 3.89Å; T327-Y396 HydrophobicContact CG2-CG 4.42Å; T327-Y396 WeakPolarHBondContact OG1-CD1 3.44Å; T327-L401 HydrophobicContact CG2-CD1 4.13Å
328	I	91.2	Very high	91.4	Very high	93 Å²	93	64.6 Å²	64.6	48%	0.477	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.3	148.6	179.8	-156.2	166.2	0	0	0	110.1	D324 E325	D324-I328 PolarHBondContact O-N 2.86Å; E325-I328 WeakPolarHBondContact O-CB 3.44Å; E325-I328 WeakPolarHBondContact O-CG2 3.32Å; E325-I328 PolarHBondContact O-N 3.31Å
329	K	88.3	Confident	91	Very high	101 Å²	101	66.9 Å²	66.9	44%	0.439	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	118.9	179.4	-176.9	-176	177.6	-174.5	0	108.8	E350	K329-E350 WeakPolarHBondContact CE-OE1 3.31Å; K329-E350 WeakPolarHBondContact CE-OE2 3.45Å; K329-E350 HydrophobicContact CG-CB 4.42Å; K329-E350 IonicContact NZ-OE1 2.7Å; K329-E350 PolarHBondContact NZ-OE1 3.07Å; K329-E350 IonicContact NZ-OE2 2.68Å; K329-E350 PolarHBondContact NZ-OE2 2.73Å
330	D	89.6	Confident	90.5	Very high	89 Å²	89	66.9 Å²	66.9	48%	0.476	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.2	178	-171.9	13	0	0	0	110.5	E350 K351	D330-E350 CarbonylContact O-C 3.5Å; D330-E350 WeakPolarHBondContact O-CA 3.48Å; D330-K351 PolarHBondContact N-O 2.92Å; D330-K351 PolarHBondContact O-N 2.81Å
331	T	90.3	Very high	90	Very high	63 Å²	63	67 Å²	67	39%	0.387	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.3	-179.3	-52.5	0	0	0	0	109.5	E333	T331-E333 HydrophobicContact CG2-CG 4.4Å; T331-E333 PolarHBondContact O-N 3.27Å
332	L	89.3	Confident	89.5	Confident	27 Å²	27	71.6 Å²	71.6	14%	0.141	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	92.8	178.7	-58.9	179.4	0	0	0	110	R348 A349 K351	L332-R348 WeakPolarHBondContact O-CA 3.46Å; L332-A349 WeakPolarHBondContact CA-O 3.43Å; L332-A349 HydrophobicContact CB-CB 4.5Å; L332-A349 WeakPolarHBondContact CB-O 3.35Å; L332-A349 HydrophobicContact CD1-CB 4.44Å; L332-A349 PolarHBondContact N-O 3.16Å; L332-A349 PolarHBondContact O-N 2.99Å; L332-K351 HydrophobicContact CD1-CB 4.17Å; L332-K351 HydrophobicContact CG-CB 4.4Å
333	E	88.4	Confident	88.9	Confident	117 Å²	117	74.1 Å²	74.1	55%	0.547	40%	0.403	S	S	.	.			trans	-130.4	170.2	178.9	63.4	178.9	-175.3	0	0	113.2	T331 D335 N336	T331-E333 HydrophobicContact CG2-CG 4.4Å; T331-E333 PolarHBondContact O-N 3.27Å; E333-D335 PolarHBondContact O-N 2.71Å; E333-N336 PolarHBondContact O-N 2.96Å
334	G	88.8	Confident	88.4	Confident	47 Å²	47	77 Å²	77	49%	0.485	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	61.5	-127.2	-178.9	0	0	0	0	0	112.9	N336 M337	G334-N336 PolarHBondContact O-N 3.47Å; G334-M337 VanDerWaalsContact O-CE 3.27Å; G334-M337 WeakPolarHBondContact O-CE 3.39Å; G334-M337 VanDerWaalsContact O-CG 3.29Å; G334-M337 WeakPolarHBondContact O-CG 3.47Å
335	D	86.6	Confident	88.1	Confident	158 Å²	158	80.1 Å²	80.1	85%	0.845	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.8	-179.1	-66.9	-29.6	0	0	0	113.1	E333	E333-D335 PolarHBondContact O-N 2.71Å
336	N	87.3	Confident	88	Confident	125 Å²	125	81.6 Å²	81.6	67%	0.668	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-93.1	12.3	-178.3	-68.1	-25.4	0	0	0	114.1	E333 G334 Y338	E333-N336 PolarHBondContact O-N 2.96Å; G334-N336 PolarHBondContact O-N 3.47Å; N336-Y338 PolarHBondContact O-N 2.64Å
337	M	87.1	Confident	87.9	Confident	65 Å²	65	79.9 Å²	79.9	32%	0.32	44%	0.436	S	S	.	.			trans	-54.7	137.5	179.8	-78.3	-175.8	-67.1	0	0	113.3	G334 K346 R348	G334-M337 VanDerWaalsContact O-CE 3.27Å; G334-M337 WeakPolarHBondContact O-CE 3.39Å; G334-M337 VanDerWaalsContact O-CG 3.29Å; G334-M337 WeakPolarHBondContact O-CG 3.47Å; M337-K346 HydrophobicContact CB-CB 4Å; M337-K346 HydrophobicContact CB-CD 4.44Å; M337-K346 HydrophobicContact CE-CB 4.24Å; M337-K346 HydrophobicContact CE-CD 4.48Å; M337-K346 HydrophobicContact SD-CB 4.49Å; M337-R348 HydrophobicContact CG-CG 4.43Å; M337-R348 HydrophobicContact SD-CG 4.4Å
338	Y	87.3	Confident	87.8	Confident	52 Å²	52	85 Å²	85	20%	0.204	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.6	-179.6	176.2	-114.7	0	0	0	111.5	V291 S300 N336 C340 K346 V347 A349	V291-Y338 HydrophobicContact CG1-CD1 3.8Å; V291-Y338 HydrophobicContact CG1-CD2 4Å; V291-Y338 HydrophobicContact CG1-CE1 3.95Å; V291-Y338 HydrophobicContact CG1-CE2 4.16Å; V291-Y338 HydrophobicContact CG1-CG 3.82Å; S300-Y338 VanDerWaalsContact CB-OH 3.28Å; S300-Y338 WeakPolarHBondContact CB-OH 3.45Å; S300-Y338 PolarHBondContact OG-OH 2.94Å; N336-Y338 PolarHBondContact O-N 2.64Å; Y338-C340 HydrophobicContact CD1-CB 4.22Å; Y338-C340 HydrophobicContact CE1-CB 4.08Å; Y338-C340 PolarHBondContact O-N 3.2Å; Y338-K346 CarbonylContact O-C 3.49Å; Y338-K346 WeakPolarHBondContact O-CA 3.39Å; Y338-V347 HydrophobicContact CD1-CG2 4.05Å; Y338-V347 PolarHBondContact N-O 3.32Å; Y338-V347 WeakPolarHBondContact O-CG2 3.36Å; Y338-V347 PolarHBondContact O-N 3.25Å; Y338-A349 HydrophobicContact CD1-CB 4.19Å; Y338-A349 HydrophobicContact CG-CB 4.22Å
339	T	89.1	Confident	87.7	Confident	83 Å²	83	80.5 Å²	80.5	51%	0.509	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	102.7	172.9	-56.5	0	0	0	0	108.8	S341	T339-S341 PolarHBondContact O-N 3.37Å
340	C	86.1	Confident	87.9	Confident	0 Å²	0	78 Å²	78	0%	0	42%	0.422	C	S	.	.			trans	-69.7	124.6	-176.3	170.6	0	0	0	0	110.9	H298 Y338 H342 C343 G344 K345 V347	H298-C340 PolarHBondContact CD2-SG 3.42Å; Y338-C340 HydrophobicContact CD1-CB 4.22Å; Y338-C340 HydrophobicContact CE1-CB 4.08Å; Y338-C340 PolarHBondContact O-N 3.2Å; C340-H342 PolarHBondContact O-N 3.36Å; C340-C343 WeakPolarHBondContact CB-SG 3.31Å; C340-C343 VanDerWaalsContact SG-SG 3.63Å; C340-G344 VanDerWaalsContact O-CA 3.3Å; C340-G344 WeakPolarHBondContact O-CA 3.4Å; C340-G344 PolarHBondContact O-N 3.38Å; C340-K345 PolarHBondContact N-O 3.04Å; C340-V347 HydrophobicContact CB-CG1 4.43Å; C340-V347 HydrophobicContact CB-CG2 3.72Å
341	S	85.9	Confident	87.9	Confident	93 Å²	93	78 Å²	78	65%	0.65	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.1	-179.4	57.3	0	0	0	0	113.1	H298 T339	H298-S341 PolarHBondContact NE2-OG 2.97Å; T339-S341 PolarHBondContact O-N 3.37Å
342	H	84.6	Confident	88	Confident	158 Å²	158	78 Å²	78	73%	0.731	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-41.2	-179.3	-165.6	-88.4	0	0	0	113.4	H298 C340	H298-H342 HydrophobicContact CB-CB 4.22Å; C340-H342 PolarHBondContact O-N 3.36Å
343	C	84.4	Confident	88.2	Confident	53 Å²	53	77.6 Å²	77.6	36%	0.358	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-10.6	-178.1	72.9	0	0	0	0	114.2	C340 K345	C340-C343 WeakPolarHBondContact CB-SG 3.31Å; C340-C343 VanDerWaalsContact SG-SG 3.63Å; C343-K345 PolarHBondContact O-N 3.19Å
344	G	84.4	Confident	88.3	Confident	60 Å²	60	72.1 Å²	72.1	62%	0.619	39%	0.385	S	S	*	.			trans	67.8	9.9	179.2	0	0	0	0	0	114.9	C340	C340-G344 VanDerWaalsContact O-CA 3.3Å; C340-G344 WeakPolarHBondContact O-CA 3.4Å; C340-G344 PolarHBondContact O-N 3.38Å
345	K	87.5	Confident	88.6	Confident	150 Å²	150	70 Å²	70	65%	0.652	36%	0.363	S	S	*	.	S	Bend	trans	-109.8	154.9	-177.8	-64.3	178.2	-175.1	177.7	0	110.9	C340 C343 V347	C340-K345 PolarHBondContact N-O 3.04Å; C343-K345 PolarHBondContact O-N 3.19Å; K345-V347 PolarHBondContact O-N 3.16Å
346	K	89.8	Confident	88.9	Confident	129 Å²	129	67.8 Å²	67.8	56%	0.561	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.5	165.1	-71.1	-166.7	175.8	-165.4	0	108.8	M337 Y338	M337-K346 HydrophobicContact CB-CB 4Å; M337-K346 HydrophobicContact CB-CD 4.44Å; M337-K346 HydrophobicContact CE-CB 4.24Å; M337-K346 HydrophobicContact CE-CD 4.48Å; M337-K346 HydrophobicContact SD-CB 4.49Å; Y338-K346 CarbonylContact O-C 3.49Å; Y338-K346 WeakPolarHBondContact O-CA 3.39Å
347	V	89.1	Confident	89.2	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.055	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.7	179.6	-64.1	0	0	0	0	109	S293 D295 Y338 C340 K345	S293-V347 WeakPolarHBondContact OG-CG2 3.41Å; D295-V347 HydrophobicContact CB-CB 4.15Å; D295-V347 HydrophobicContact CB-CG1 4.17Å; Y338-V347 HydrophobicContact CD1-CG2 4.05Å; Y338-V347 PolarHBondContact N-O 3.32Å; Y338-V347 WeakPolarHBondContact O-CG2 3.36Å; Y338-V347 PolarHBondContact O-N 3.25Å; C340-V347 HydrophobicContact CB-CG1 4.43Å; C340-V347 HydrophobicContact CB-CG2 3.72Å; K345-V347 PolarHBondContact O-N 3.16Å
348	R	89.4	Confident	89.6	Confident	112 Å²	112	64.3 Å²	64.3	42%	0.423	32%	0.323	S	S	.	.			trans	-68.6	136.6	165.6	-62.8	178.7	-60.2	153.8	8.5	108.3	L294 D295 L332 M337	L294-R348 HydrophobicContact CB-CB 4.26Å; L294-R348 HydrophobicContact CD1-CB 4.26Å; L294-R348 PolarHBondContact N-O 3.12Å; D295-R348 IonicContact OD1-CZ 3.27Å; D295-R348 IonicContact OD1-NE 3.69Å; D295-R348 PolarHBondContact OD1-NE 3.3Å; D295-R348 IonicContact OD1-NH2 3.52Å; D295-R348 PolarHBondContact OD1-NH2 2.96Å; D295-R348 PolarHBondContact OD2-N 3.39Å; D295-R348 IonicContact OD2-NE 2.86Å; L332-R348 WeakPolarHBondContact O-CA 3.46Å; M337-R348 HydrophobicContact CG-CG 4.43Å; M337-R348 HydrophobicContact SD-CG 4.4Å
349	A	89.8	Confident	89.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158	-178.8	0	0	0	0	0	111	V291 V292 L332 Y338	V291-A349 HydrophobicContact CG1-CB 3.65Å; V292-A349 CarbonylContact O-C 3.52Å; V292-A349 VanDerWaalsContact O-CA 3.23Å; V292-A349 WeakPolarHBondContact O-CA 3.2Å; V292-A349 WeakPolarHBondContact O-CB 3.45Å; L332-A349 WeakPolarHBondContact CA-O 3.43Å; L332-A349 HydrophobicContact CB-CB 4.5Å; L332-A349 WeakPolarHBondContact CB-O 3.35Å; L332-A349 HydrophobicContact CD1-CB 4.44Å; L332-A349 PolarHBondContact N-O 3.16Å; L332-A349 PolarHBondContact O-N 2.99Å; Y338-A349 HydrophobicContact CD1-CB 4.19Å; Y338-A349 HydrophobicContact CG-CB 4.22Å
350	E	90.6	Very high	90.2	Very high	49 Å²	49	62.5 Å²	62.5	23%	0.229	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.5	176	-61.4	178.5	143.7	0	0	107.8	V291 V292 L294 K329 D330	V291-E350 CarbonylContact C-O 3.52Å; V291-E350 WeakPolarHBondContact CA-O 3.41Å; V292-E350 PolarHBondContact N-O 3.15Å; V292-E350 PolarHBondContact O-N 3.47Å; L294-E350 HydrophobicContact CD1-CG 3.91Å; L294-E350 HydrophobicContact CD2-CG 3.98Å; L294-E350 HydrophobicContact CG-CG 3.97Å; K329-E350 WeakPolarHBondContact CE-OE1 3.31Å; K329-E350 WeakPolarHBondContact CE-OE2 3.45Å; K329-E350 HydrophobicContact CG-CB 4.42Å; K329-E350 IonicContact NZ-OE1 2.7Å; K329-E350 PolarHBondContact NZ-OE1 3.07Å; K329-E350 IonicContact NZ-OE2 2.68Å; K329-E350 PolarHBondContact NZ-OE2 2.73Å; D330-E350 CarbonylContact O-C 3.5Å; D330-E350 WeakPolarHBondContact O-CA 3.48Å
351	K	90.6	Very high	90.7	Very high	89 Å²	89	62.6 Å²	62.6	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.6	178.2	-178.4	-178.9	177.2	-166.5	0	109.2	N290 V291 D330 L332	N290-K351 CarbonylContact O-C 3.57Å; N290-K351 WeakPolarHBondContact O-CA 3.3Å; V291-K351 HydrophobicContact CG2-CB 4.26Å; V291-K351 HydrophobicContact CG2-CG 4.04Å; D330-K351 PolarHBondContact N-O 2.92Å; D330-K351 PolarHBondContact O-N 2.81Å; L332-K351 HydrophobicContact CD1-CB 4.17Å; L332-K351 HydrophobicContact CG-CB 4.4Å
352	R	92.1	Very high	91.2	Very high	63 Å²	63	58.1 Å²	58.1	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	133	177.1	-166.3	176.6	-161.6	177.1	5.2	111.3	N290 T327 L401	N290-R352 PolarHBondContact N-O 3.27Å; N290-R352 PolarHBondContact O-N 3.38Å; T327-R352 PolarHBondContact O-NE 2.96Å; T327-R352 PolarHBondContact O-NH2 3.03Å; R352-L401 VanDerWaalsContact NH2-CD2 3.26Å
353	A	92.8	Very high	91.8	Very high	18 Å²	18	50.7 Å²	50.7	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.6	168.4	0	0	0	0	0	110.3	I287 T288	I287-A353 HydrophobicContact CG2-CB 4.15Å; T288-A353 CarbonylContact O-C 3.54Å; T288-A353 VanDerWaalsContact O-CA 3.3Å; T288-A353 WeakPolarHBondContact O-CA 3.34Å
354	C	92.3	Very high	92.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.4	-179.4	-62.6	0	0	0	0	110.4	I287 T288 K356 E398	I287-C354 CarbonylContact C-O 3.42Å; I287-C354 WeakPolarHBondContact CA-O 3.29Å; T288-C354 PolarHBondContact N-O 2.96Å; T288-C354 PolarHBondContact O-N 3.32Å; T288-C354 PolarHBondContact OG1-O 3.42Å; C354-K356 PolarHBondContact O-N 3.41Å; C354-E398 HydrophobicContact CB-CB 3.89Å; C354-E398 HydrophobicContact CB-CG 4.33Å
355	F	94.3	Very high	93	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115	172.7	-67.8	-86.6	0	0	0	110.1	I287 F306 V309 L323 V326 T327 L358 M393 Y396 T397 E398	I287-F355 HydrophobicContact CD1-CD1 4.22Å; I287-F355 HydrophobicContact CD1-CE1 3.69Å; I287-F355 HydrophobicContact CD1-CZ 4.23Å; I287-F355 HydrophobicContact CG1-CD1 3.68Å; I287-F355 HydrophobicContact CG1-CE1 3.69Å; I287-F355 HydrophobicContact CG1-CG 4.43Å; I287-F355 HydrophobicContact CG1-CZ 4.44Å; F306-F355 AromaticContact CE1-CD1 3.8Å; F306-F355 HydrophobicContact CE1-CD1 3.8Å; F306-F355 HydrophobicContact CE1-CE1 4.01Å; F306-F355 HydrophobicContact CE2-CE1 4.41Å; F306-F355 AromaticContact CZ-CD1 3.74Å; F306-F355 HydrophobicContact CZ-CD1 3.74Å; F306-F355 AromaticContact CZ-CE1 3.77Å; F306-F355 HydrophobicContact CZ-CE1 3.77Å; V309-F355 HydrophobicContact CG1-CZ 4.04Å; V309-F355 HydrophobicContact CG2-CE1 3.8Å; V309-F355 HydrophobicContact CG2-CZ 4.14Å; L323-F355 HydrophobicContact CD2-CE2 4.47Å; V326-F355 HydrophobicContact CG1-CE2 4.27Å; V326-F355 HydrophobicContact CG1-CZ 4.25Å; T327-F355 HydrophobicContact CG2-CD2 4.27Å; T327-F355 HydrophobicContact CG2-CE2 4.12Å; F355-L358 HydrophobicContact CB-CD2 3.98Å; F355-L358 HydrophobicContact CB-CG 4.31Å; F355-L358 HydrophobicContact CD1-CD2 3.8Å; F355-L358 HydrophobicContact CG-CD2 3.99Å; F355-M393 HydrophobicContact CD2-CE 4.21Å; F355-M393 HydrophobicContact CE2-CE 4.05Å; F355-M393 HydrophobicContact CZ-CE 4.27Å; F355-Y396 WeakPolarHBondContact CD2-O 3.43Å; F355-Y396 PolarHBondContact N-O 3.13Å; F355-Y396 VanDerWaalsContact N-O 3.09Å; F355-T397 CarbonylContact O-C 3.58Å; F355-T397 VanDerWaalsContact O-CA 3.3Å; F355-T397 WeakPolarHBondContact O-CA 3.49Å; F355-E398 PolarHBondContact O-N 3.47Å
356	K	92.8	Very high	93.3	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-39.9	178.4	179.7	168.3	-175.9	168.3	0	112.5	V286 T288 C354	V286-K356 HydrophobicContact CG1-CB 4.44Å; V286-K356 PolarHBondContact O-N 3.2Å; T288-K356 HydrophobicContact CG2-CB 3.89Å; T288-K356 HydrophobicContact CG2-CD 3.59Å; T288-K356 HydrophobicContact CG2-CG 4.39Å; C354-K356 PolarHBondContact O-N 3.41Å
357	K	93.8	Very high	93.5	Very high	104 Å²	104	35.4 Å²	35.4	45%	0.452	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.6	175.6	-177.3	-170.9	172.4	-158.9	0	108.9	G285 V286	G285-K357 CarbonylContact C-O 3.47Å; G285-K357 VanDerWaalsContact CA-O 3.23Å; G285-K357 WeakPolarHBondContact CA-O 3.43Å; V286-K357 HydrophobicContact CB-CB 3.99Å; V286-K357 HydrophobicContact CG2-CB 4.1Å; V286-K357 HydrophobicContact CG2-CD 4.43Å; V286-K357 PolarHBondContact N-O 2.76Å; V286-K357 PolarHBondContact O-N 3.42Å; V286-K357 VanDerWaalsContact O-N 3.16Å
358	L	94.5	Very high	93.6	Very high	12 Å²	12	35 Å²	35	6%	0.063	15%	0.152	C	C	.	.			trans	-97.6	139.1	174.3	-69.5	165.6	0	0	0	110.8	F355 M393 T397 Y424 Y426	F355-L358 HydrophobicContact CB-CD2 3.98Å; F355-L358 HydrophobicContact CB-CG 4.31Å; F355-L358 HydrophobicContact CD1-CD2 3.8Å; F355-L358 HydrophobicContact CG-CD2 3.99Å; L358-M393 HydrophobicContact CD1-CB 3.61Å; L358-M393 HydrophobicContact CD1-CG 4.45Å; L358-M393 HydrophobicContact CD2-CE 4.04Å; L358-T397 HydrophobicContact CD1-CG2 4.06Å; L358-Y424 HydrophobicContact CB-CD1 4.45Å; L358-Y424 HydrophobicContact CD1-CD1 3.6Å; L358-Y424 HydrophobicContact CD1-CE1 4.2Å; L358-Y424 HydrophobicContact CD1-CG 3.95Å; L358-Y426 WeakPolarHBondContact CB-OH 3.28Å
359	P	95.2	Very high	93.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	14%	0.139	C	C	.	.			trans	-75.7	166	178.7	32.9	-36.8	0	0	0	112.3	L282 F283 F306 I361 L362 Y426	L282-P359 WeakPolarHBondContact O-CB 3.26Å; F283-P359 VanDerWaalsContact C-CB 3.47Å; F283-P359 WeakPolarHBondContact O-CB 3.47Å; F306-P359 HydrophobicContact CE2-CG 4.4Å; P359-I361 WeakPolarHBondContact CB-O 3.34Å; P359-I361 WeakPolarHBondContact CG-O 3.29Å; P359-L362 HydrophobicContact CG-CB 4.36Å; P359-L362 HydrophobicContact CG-CD1 3.85Å; P359-Y426 WeakPolarHBondContact O-CE1 3.27Å; P359-Y426 PolarHBondContact O-OH 3.43Å
360	R	94.3	Very high	93.4	Very high	96 Å²	96	33.6 Å²	33.6	36%	0.362	15%	0.152	S	C	.	.	S	Bend	trans	-69.1	-37.5	173.6	-70.7	179.9	173.6	-126	-8.9	112.1	L282 R516 E518	L282-R360 HydrophobicContact CD2-CB 4.37Å; L282-R360 PolarHBondContact O-N 2.85Å; R360-R516 PolarHBondContact O-N 2.81Å; R360-E518 IonicContact CZ-OE1 3.82Å; R360-E518 IonicContact NH1-OE1 3.92Å; R360-E518 PolarHBondContact NH1-OE1 3.18Å; R360-E518 IonicContact NH2-OE1 3.94Å
361	I	96.4	Very high	93.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.9	172.6	-53.1	-61	0	0	0	107.6	I193 L282 F283 P359 I429 Y514 K515	I193-I361 HydrophobicContact CD1-CG1 4.3Å; I193-I361 HydrophobicContact CD1-CG2 4.14Å; I193-I361 HydrophobicContact CG2-CD1 4.34Å; I193-I361 HydrophobicContact CG2-CG1 4.28Å; L282-I361 WeakPolarHBondContact O-CA 3.44Å; L282-I361 PolarHBondContact O-N 2.82Å; F283-I361 HydrophobicContact CD1-CB 3.95Å; F283-I361 HydrophobicContact CD1-CG2 4.07Å; F283-I361 HydrophobicContact CE1-CB 3.84Å; F283-I361 HydrophobicContact CE1-CG1 4.38Å; F283-I361 HydrophobicContact CE1-CG2 3.69Å; P359-I361 WeakPolarHBondContact CB-O 3.34Å; P359-I361 WeakPolarHBondContact CG-O 3.29Å; I361-I429 HydrophobicContact CD1-CD1 4.04Å; I361-Y514 CarbonylContact C-O 3.53Å; I361-Y514 VanDerWaalsContact CA-O 3.27Å; I361-Y514 WeakPolarHBondContact CA-O 3.39Å; I361-K515 HydrophobicContact CD1-CB 3.84Å; I361-K515 HydrophobicContact CD1-CD 4.28Å; I361-K515 HydrophobicContact CD1-CG 3.84Å
362	L	97	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.1	178.1	-173.8	62.2	0	0	0	109.5	F306 V309 P359 F364 M393 Y426 Y514	F306-L362 HydrophobicContact CE2-CD1 4.04Å; F306-L362 HydrophobicContact CZ-CD1 4.49Å; V309-L362 HydrophobicContact CG2-CD1 3.95Å; P359-L362 HydrophobicContact CG-CB 4.36Å; P359-L362 HydrophobicContact CG-CD1 3.85Å; L362-F364 HydrophobicContact CD1-CZ 4.49Å; L362-F364 HydrophobicContact CD2-CE1 4.22Å; L362-F364 HydrophobicContact CD2-CE2 3.65Å; L362-F364 HydrophobicContact CD2-CZ 3.31Å; L362-F364 HydrophobicContact CG-CD2 4.45Å; L362-F364 HydrophobicContact CG-CE1 4.32Å; L362-F364 HydrophobicContact CG-CE2 3.72Å; L362-F364 HydrophobicContact CG-CZ 3.66Å; L362-M393 HydrophobicContact CD2-CE 4.04Å; L362-M393 HydrophobicContact CD2-CG 3.76Å; L362-M393 HydrophobicContact CD2-SD 3.91Å; L362-Y426 HydrophobicContact CB-CD1 3.94Å; L362-Y426 HydrophobicContact CB-CE1 3.72Å; L362-Y514 PolarHBondContact N-O 2.83Å; L362-Y514 PolarHBondContact O-N 3.13Å
363	S	97.6	Very high	92.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124	-178.9	-61.3	0	0	0	0	110.6	T308 V309 L512 F513	T308-S363 CarbonylContact C-O 3.46Å; T308-S363 WeakPolarHBondContact CA-O 2.98Å; V309-S363 PolarHBondContact N-O 2.72Å; S363-L512 CarbonylContact C-O 3.58Å; S363-L512 WeakPolarHBondContact CA-O 3.41Å; S363-F513 WeakPolarHBondContact OG-CD1 3.46Å
364	F	97.6	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.3	174.7	-63.5	-78.3	0	0	0	110.8	V309 C311 I319 L323 L362 L391 M393 M511 L512 Y514	V309-F364 HydrophobicContact CB-CD1 3.64Å; V309-F364 HydrophobicContact CB-CE1 3.8Å; V309-F364 HydrophobicContact CG1-CD1 3.93Å; V309-F364 HydrophobicContact CG1-CE1 3.89Å; V309-F364 HydrophobicContact CG2-CE1 4.31Å; V309-F364 CarbonylContact O-C 2.89Å; V309-F364 WeakPolarHBondContact O-CA 3.27Å; C311-F364 WeakPolarHBondContact SG-CD1 3.37Å; I319-F364 HydrophobicContact CD1-CD1 4.29Å; I319-F364 HydrophobicContact CD1-CD2 3.86Å; I319-F364 HydrophobicContact CD1-CE1 4.33Å; I319-F364 HydrophobicContact CD1-CE2 3.88Å; I319-F364 HydrophobicContact CD1-CG 4.05Å; I319-F364 HydrophobicContact CD1-CZ 4.1Å; L323-F364 HydrophobicContact CD2-CE1 3.93Å; L323-F364 HydrophobicContact CD2-CZ 4.5Å; L362-F364 HydrophobicContact CD1-CZ 4.49Å; L362-F364 HydrophobicContact CD2-CE1 4.22Å; L362-F364 HydrophobicContact CD2-CE2 3.65Å; L362-F364 HydrophobicContact CD2-CZ 3.31Å; L362-F364 HydrophobicContact CG-CD2 4.45Å; L362-F364 HydrophobicContact CG-CE1 4.32Å; L362-F364 HydrophobicContact CG-CE2 3.72Å; L362-F364 HydrophobicContact CG-CZ 3.66Å; F364-L391 HydrophobicContact CE2-CD2 3.6Å; F364-L391 HydrophobicContact CZ-CD2 3.67Å; F364-M393 HydrophobicContact CZ-SD 4.23Å; F364-M511 CarbonylContact O-C 3.44Å; F364-M511 VanDerWaalsContact O-CA 3.25Å; F364-M511 WeakPolarHBondContact O-CA 3.5Å; F364-M511 VanDerWaalsContact O-CG 3.29Å; F364-M511 WeakPolarHBondContact O-CG 3.44Å; F364-L512 HydrophobicContact CB-CB 4.16Å; F364-L512 HydrophobicContact CD2-CB 4.35Å; F364-L512 PolarHBondContact N-O 2.85Å; F364-L512 PolarHBondContact O-N 2.59Å; F364-Y514 AromaticContact CD2-CD2 3.62Å; F364-Y514 HydrophobicContact CD2-CD2 3.62Å; F364-Y514 AromaticContact CD2-CE2 3.8Å; F364-Y514 HydrophobicContact CD2-CE2 3.8Å; F364-Y514 AromaticContact CE2-CD2 3.58Å; F364-Y514 HydrophobicContact CE2-CD2 3.58Å; F364-Y514 AromaticContact CE2-CE2 3.87Å; F364-Y514 HydrophobicContact CE2-CE2 3.87Å; F364-Y514 HydrophobicContact CE2-CG 4.36Å
365	N	95.9	Very high	92.1	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.9	164.7	176.7	14.5	0	0	0	108.5	T258 V309 C311 M367	T258-N365 HydrophobicContact CG2-CB 3.89Å; T258-N365 PolarHBondContact OG1-OD1 3.42Å; V309-N365 PolarHBondContact O-N 2.84Å; C311-N365 PolarHBondContact N-O 2.99Å; N365-M367 PolarHBondContact O-N 3.38Å
366	T	94.6	Very high	91.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.1	174.3	66.4	0	0	0	0	109	R368 F385 A509 Y510 L512	T366-R368 PolarHBondContact O-N 2.94Å; T366-F385 HydrophobicContact CG2-CE1 4.25Å; T366-A509 PolarHBondContact OG1-O 2.91Å; T366-Y510 PolarHBondContact N-O 3.08Å; T366-Y510 VanDerWaalsContact OG1-C 3.23Å; T366-Y510 VanDerWaalsContact OG1-CA 3.24Å; T366-Y510 WeakPolarHBondContact OG1-CA 3.41Å; T366-Y510 PolarHBondContact OG1-O 3.47Å; T366-L512 HydrophobicContact CG2-CD1 4.38Å; T366-L512 HydrophobicContact CG2-CG 4.4Å
367	M	93.4	Very high	91.5	Very high	59 Å²	59	52.4 Å²	52.4	29%	0.291	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	65.7	-176.6	-61.1	-66.8	-65.6	0	0	110.5	R310 C311 N365 Y369	R310-M367 HydrophobicContact CB-CG 4.01Å; R310-M367 HydrophobicContact CB-SD 4.06Å; R310-M367 HydrophobicContact CG-SD 3.93Å; C311-M367 WeakPolarHBondContact O-CB 3.32Å; C311-M367 PolarHBondContact O-N 3.03Å; N365-M367 PolarHBondContact O-N 3.38Å; M367-Y369 PolarHBondContact O-N 2.9Å
368	R	91.1	Very high	91.2	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.258	C	S	.	.			trans	-84.3	8.5	-179.6	-69.8	-169.9	178	-90.9	8.8	113.6	V313 T366 K380 V381 T383 F482 S508 A509	V313-R368 HydrophobicContact CB-CG 4.15Å; V313-R368 HydrophobicContact CG1-CG 4.14Å; V313-R368 HydrophobicContact CG2-CG 3.89Å; T366-R368 PolarHBondContact O-N 2.94Å; R368-K380 CarbonylContact O-C 3.55Å; R368-K380 VanDerWaalsContact O-CA 3.3Å; R368-K380 WeakPolarHBondContact O-CA 3.11Å; R368-V381 PolarHBondContact NH1-O 3.08Å; R368-V381 PolarHBondContact O-N 3.11Å; R368-T383 PolarHBondContact NH1-O 2.98Å; R368-F482 PolarHBondContact NH2-O 2.89Å; R368-F482 VanDerWaalsContact NH2-O 3.12Å; R368-S508 VanDerWaalsContact CD-OG 3.31Å; R368-S508 WeakPolarHBondContact CD-OG 3.32Å; R368-S508 PolarHBondContact NE-OG 2.94Å; R368-A509 VanDerWaalsContact CD-O 3.29Å; R368-A509 WeakPolarHBondContact CD-O 3.44Å; R368-A509 PolarHBondContact NE-O 3.09Å
369	Y	89.4	Confident	91	Very high	35 Å²	35	54.7 Å²	54.7	14%	0.137	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	173.3	-61.3	-56.5	0	0	0	109.7	M367 K378 E379 K380 H434 A438 Y510	M367-Y369 PolarHBondContact O-N 2.9Å; Y369-K378 VanDerWaalsContact CB-CE 3.49Å; Y369-E379 WeakPolarHBondContact CA-O 3.43Å; Y369-K380 HydrophobicContact CD1-CB 4.19Å; Y369-K380 HydrophobicContact CD1-CG 4.28Å; Y369-K380 HydrophobicContact CE1-CB 4.06Å; Y369-K380 HydrophobicContact CE1-CD 4.32Å; Y369-K380 HydrophobicContact CE1-CG 3.91Å; Y369-H434 PolarHBondContact OH-CE1 2.94Å; Y369-H434 PolarHBondContact OH-ND1 3.34Å; Y369-A438 HydrophobicContact CD1-CB 3.9Å; Y369-A438 HydrophobicContact CE1-CB 4.12Å; Y369-Y510 AromaticContact CD2-CE2 3.82Å; Y369-Y510 HydrophobicContact CD2-CE2 3.82Å; Y369-Y510 HydrophobicContact CE2-CD2 4.16Å; Y369-Y510 AromaticContact CE2-CE2 3.26Å; Y369-Y510 HydrophobicContact CE2-CE2 3.26Å; Y369-Y510 AromaticContact CE2-CZ 3.69Å
370	T	85.9	Confident	90.9	Very high	46 Å²	46	55.8 Å²	55.8	28%	0.282	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.2	177.3	52	0	0	0	0	109.4	A314 E379 V381	A314-T370 HydrophobicContact CB-CG2 4.38Å; T370-E379 PolarHBondContact N-O 2.86Å; T370-E379 PolarHBondContact O-N 2.91Å; T370-V381 HydrophobicContact CG2-CG2 3.64Å; T370-V381 WeakPolarHBondContact OG1-CG2 3.45Å
371	F	85.3	Confident	90.8	Very high	116 Å²	116	52 Å²	52	51%	0.509	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.6	172.5	-171.1	-97.2	0	0	0	108.9	M373 M376	F371-M373 HydrophobicContact CD1-CG 4.43Å; F371-M373 HydrophobicContact CD1-SD 3.64Å; F371-M373 HydrophobicContact CE1-SD 3.83Å; F371-M373 PolarHBondContact O-N 3.07Å; F371-M376 HydrophobicContact CE1-SD 3.91Å; F371-M376 HydrophobicContact CZ-CB 4.29Å; F371-M376 HydrophobicContact CZ-SD 4.1Å
372	N	84.6	Confident	90.6	Very high	46 Å²	46	52.6 Å²	52.6	25%	0.246	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.2	178.1	-179.3	-25.6	0	0	0	108.8	V374 T375 M376 M377 E379	N372-V374 PolarHBondContact O-N 3.42Å; N372-V374 WeakPolarHBondContact OD1-CA 3.47Å; N372-V374 WeakPolarHBondContact OD1-CB 3.21Å; N372-V374 PolarHBondContact OD1-N 3.3Å; N372-T375 VanDerWaalsContact CB-OG1 3.24Å; N372-T375 WeakPolarHBondContact CB-OG1 3.3Å; N372-T375 PolarHBondContact O-N 2.84Å; N372-T375 PolarHBondContact OD1-N 2.68Å; N372-M376 VanDerWaalsContact O-CA 3.29Å; N372-M376 WeakPolarHBondContact O-CA 3.44Å; N372-M376 PolarHBondContact O-N 3.03Å; N372-M377 PolarHBondContact N-O 3.46Å; N372-E379 VanDerWaalsContact CB-CD 3.47Å; N372-E379 HydrophobicContact CB-CG 4.2Å; N372-E379 WeakPolarHBondContact CB-OE2 3.33Å; N372-E379 VanDerWaalsContact ND2-CD 3.29Å; N372-E379 PolarHBondContact ND2-OE1 3.07Å; N372-E379 PolarHBondContact ND2-OE2 3.13Å
373	M	86.1	Confident	90.4	Very high	135 Å²	135	55.5 Å²	55.5	67%	0.665	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.2	-177.6	-65.3	-68.5	-77.2	0	0	113.4	F371 M376	F371-M373 HydrophobicContact CD1-CG 4.43Å; F371-M373 HydrophobicContact CD1-SD 3.64Å; F371-M373 HydrophobicContact CE1-SD 3.83Å; F371-M373 PolarHBondContact O-N 3.07Å; M373-M376 WeakPolarHBondContact O-CE 3.39Å
374	V	88	Confident	90.2	Very high	136 Å²	136	60 Å²	60	82%	0.824	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-48.2	178	-177.7	0	0	0	0	110.5	N372 M376	N372-V374 PolarHBondContact O-N 3.42Å; N372-V374 WeakPolarHBondContact OD1-CA 3.47Å; N372-V374 WeakPolarHBondContact OD1-CB 3.21Å; N372-V374 PolarHBondContact OD1-N 3.3Å; V374-M376 VanDerWaalsContact C-N 3.32Å
375	T	87.1	Confident	90.2	Very high	66 Å²	66	60 Å²	60	41%	0.405	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.3	179.5	58.8	0	0	0	0	112.3	N372 M377 E379	N372-T375 VanDerWaalsContact CB-OG1 3.24Å; N372-T375 WeakPolarHBondContact CB-OG1 3.3Å; N372-T375 PolarHBondContact O-N 2.84Å; N372-T375 PolarHBondContact OD1-N 2.68Å; T375-M377 PolarHBondContact O-N 3.41Å; T375-E379 PolarHBondContact OG1-OE1 2.91Å
376	M	88.3	Confident	90.2	Very high	124 Å²	124	61 Å²	61	61%	0.611	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	29	-171.4	-64.9	-70	-177.8	0	0	112.4	F371 N372 M373 V374	F371-M376 HydrophobicContact CE1-SD 3.91Å; F371-M376 HydrophobicContact CZ-CB 4.29Å; F371-M376 HydrophobicContact CZ-SD 4.1Å; N372-M376 VanDerWaalsContact O-CA 3.29Å; N372-M376 WeakPolarHBondContact O-CA 3.44Å; N372-M376 PolarHBondContact O-N 3.03Å; M373-M376 WeakPolarHBondContact O-CE 3.39Å; V374-M376 VanDerWaalsContact C-N 3.32Å
377	M	86.2	Confident	90.4	Very high	108 Å²	108	61.5 Å²	61.5	53%	0.532	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.6	-178.8	-67.4	-176.4	70.8	0	0	110.9	N372 T375	N372-M377 PolarHBondContact N-O 3.46Å; T375-M377 PolarHBondContact O-N 3.41Å
378	K	87.2	Confident	90.5	Very high	91 Å²	91	60.2 Å²	60.2	40%	0.396	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	128.3	169.9	-164.9	-174.2	172.2	-169	0	107.8	Y369 A438	Y369-K378 VanDerWaalsContact CB-CE 3.49Å; K378-A438 HydrophobicContact CB-CB 3.99Å; K378-A438 HydrophobicContact CD-CB 3.99Å; K378-A438 HydrophobicContact CG-CB 3.79Å; K378-A438 VanDerWaalsContact O-CB 3.31Å; K378-A438 WeakPolarHBondContact O-CB 3.1Å
379	E	89.9	Confident	90.6	Very high	72 Å²	72	64.2 Å²	64.2	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.6	-178.6	-72.4	174	-171.4	0	0	110	Y369 T370 N372 T375	Y369-E379 WeakPolarHBondContact CA-O 3.43Å; T370-E379 PolarHBondContact N-O 2.86Å; T370-E379 PolarHBondContact O-N 2.91Å; N372-E379 VanDerWaalsContact CB-CD 3.47Å; N372-E379 HydrophobicContact CB-CG 4.2Å; N372-E379 WeakPolarHBondContact CB-OE2 3.33Å; N372-E379 VanDerWaalsContact ND2-CD 3.29Å; N372-E379 PolarHBondContact ND2-OE1 3.07Å; N372-E379 PolarHBondContact ND2-OE2 3.13Å; T375-E379 PolarHBondContact OG1-OE1 2.91Å
380	K	92.4	Very high	90.9	Very high	25 Å²	25	68.7 Å²	68.7	11%	0.109	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.4	176	-173.5	-176.1	176.1	-172.7	0	109.7	R368 Y369 N382 H434 G436 T506	R368-K380 CarbonylContact O-C 3.55Å; R368-K380 VanDerWaalsContact O-CA 3.3Å; R368-K380 WeakPolarHBondContact O-CA 3.11Å; Y369-K380 HydrophobicContact CD1-CB 4.19Å; Y369-K380 HydrophobicContact CD1-CG 4.28Å; Y369-K380 HydrophobicContact CE1-CB 4.06Å; Y369-K380 HydrophobicContact CE1-CD 4.32Å; Y369-K380 HydrophobicContact CE1-CG 3.91Å; K380-N382 VanDerWaalsContact CD-OD1 3.26Å; K380-N382 WeakPolarHBondContact CD-OD1 3.17Å; K380-N382 WeakPolarHBondContact CE-OD1 3.44Å; K380-N382 PolarHBondContact O-N 3.26Å; K380-H434 PolarHBondContact NZ-ND1 3.19Å; K380-H434 PolarHBondContact NZ-O 3.44Å; K380-G436 WeakPolarHBondContact CD-O 3.4Å; K380-G436 PolarHBondContact NZ-O 3.45Å; K380-T506 PolarHBondContact NZ-O 2.96Å
381	V	92.3	Very high	91.4	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.103	34%	0.335	C	S	.	.			trans	-85.7	98.9	175.5	-175.3	0	0	0	0	109.1	V313 A314 R368 T370 T383	V313-V381 HydrophobicContact CG1-CG1 4.13Å; A314-V381 HydrophobicContact CB-CG1 4.37Å; A314-V381 HydrophobicContact CB-CG2 4.38Å; R368-V381 PolarHBondContact NH1-O 3.08Å; R368-V381 PolarHBondContact O-N 3.11Å; T370-V381 HydrophobicContact CG2-CG2 3.64Å; T370-V381 WeakPolarHBondContact OG1-CG2 3.45Å; V381-T383 VanDerWaalsContact C-N 3.34Å; V381-T383 HydrophobicContact CG1-CG2 4.1Å; V381-T383 VanDerWaalsContact CG1-OG1 3.29Å; V381-T383 WeakPolarHBondContact CG1-OG1 3.45Å
382	N	91.8	Very high	91.9	Very high	14 Å²	14	63.9 Å²	63.9	8%	0.075	33%	0.327	C	S	.	.			trans	-93.6	11.3	178.8	-64.7	-43.4	0	0	0	112.9	K380 G484 E504 K505	K380-N382 VanDerWaalsContact CD-OD1 3.26Å; K380-N382 WeakPolarHBondContact CD-OD1 3.17Å; K380-N382 WeakPolarHBondContact CE-OD1 3.44Å; K380-N382 PolarHBondContact O-N 3.26Å; N382-G484 WeakPolarHBondContact O-CA 3.13Å; N382-G484 PolarHBondContact O-N 2.98Å; N382-E504 HydrophobicContact CB-CG 3.59Å; N382-E504 WeakPolarHBondContact CB-OE1 3.42Å; N382-E504 PolarHBondContact ND2-OE2 3.34Å; N382-E504 VanDerWaalsContact ND2-OE2 3.12Å; N382-K505 WeakPolarHBondContact CB-O 3.4Å; N382-K505 VanDerWaalsContact CG-O 3.3Å
383	T	93.3	Very high	92.4	Very high	61 Å²	61	61.7 Å²	61.7	37%	0.374	32%	0.315	S	S	.	.			trans	-57.2	153	176.5	58	0	0	0	0	111.7	R368 V381 F385	R368-T383 PolarHBondContact NH1-O 2.98Å; V381-T383 VanDerWaalsContact C-N 3.34Å; V381-T383 HydrophobicContact CG1-CG2 4.1Å; V381-T383 VanDerWaalsContact CG1-OG1 3.29Å; V381-T383 WeakPolarHBondContact CG1-OG1 3.45Å; T383-F385 PolarHBondContact O-N 3.05Å
384	H	94.8	Very high	92.7	Very high	96 Å²	96	57.4 Å²	57.4	44%	0.444	30%	0.296	S	S	.	.			trans	-64.5	121.4	177.8	174.1	-77.1	0	0	0	110.7	F482	H384-F482 WeakPolarHBondContact CA-O 3.38Å; H384-F482 AromaticContact NE2-CD2 3.6Å
385	F	96.7	Very high	92.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.			trans	-135.2	110.3	177.1	-179.3	-94.9	0	0	0	109.6	C311 V313 M316 K317 N318 I319 T366 T383 F387 F482	C311-F385 HydrophobicContact CB-CZ 4.38Å; V313-F385 HydrophobicContact CB-CD2 4.34Å; V313-F385 HydrophobicContact CG1-CB 3.84Å; V313-F385 HydrophobicContact CG1-CD2 4.05Å; V313-F385 HydrophobicContact CG1-CG 4.06Å; V313-F385 HydrophobicContact CG2-CD1 4.37Å; V313-F385 HydrophobicContact CG2-CD2 4.08Å; V313-F385 HydrophobicContact CG2-CE1 4.48Å; V313-F385 HydrophobicContact CG2-CE2 4.19Å; V313-F385 HydrophobicContact CG2-CG 4.15Å; V313-F385 HydrophobicContact CG2-CZ 4.38Å; M316-F385 HydrophobicContact CB-CD2 4.29Å; M316-F385 HydrophobicContact CB-CE2 4.18Å; K317-F385 WeakPolarHBondContact O-CA 3.14Å; N318-F385 VanDerWaalsContact C-CE2 3.41Å; N318-F385 VanDerWaalsContact O-CE2 3.3Å; N318-F385 WeakPolarHBondContact O-CE2 3.29Å; I319-F385 HydrophobicContact CB-CE1 4.27Å; I319-F385 HydrophobicContact CB-CZ 4Å; I319-F385 HydrophobicContact CG1-CZ 4.37Å; T366-F385 HydrophobicContact CG2-CE1 4.25Å; T383-F385 PolarHBondContact O-N 3.05Å; F385-F387 HydrophobicContact CD1-CD1 4.36Å; F385-F482 PolarHBondContact N-O 2.84Å; F385-F482 WeakPolarHBondContact O-CA 3.34Å
386	S	96.9	Very high	93.2	Very high	32 Å²	32	50.5 Å²	50.5	22%	0.224	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-93.6	147.1	-177	55.3	0	0	0	0	112.7	K317 N318 I319 F482	K317-S386 PolarHBondContact O-N 3.48Å; K317-S386 PolarHBondContact O-OG 2.96Å; N318-S386 CarbonylContact C-O 3.53Å; N318-S386 WeakPolarHBondContact CA-O 3.33Å; N318-S386 VanDerWaalsContact CB-O 3.31Å; N318-S386 WeakPolarHBondContact CB-O 3.37Å; N318-S386 WeakPolarHBondContact CB-OG 3.4Å; I319-S386 PolarHBondContact N-O 3.42Å; S386-F482 VanDerWaalsContact CB-CE2 3.45Å
387	F	97.5	Very high	93.4	Very high	12 Å²	12	45 Å²	45	5%	0.053	23%	0.228	C	C	.	.			trans	-140.3	142.5	175.4	49.9	-94.9	0	0	0	109.6	I319 F385 L428 V431 C481 F482 A509 L512	I319-F387 HydrophobicContact CB-CB 4.26Å; I319-F387 HydrophobicContact CG2-CB 4.18Å; F385-F387 HydrophobicContact CD1-CD1 4.36Å; F387-L428 HydrophobicContact CD2-CD2 3.99Å; F387-L428 HydrophobicContact CE2-CD2 3.8Å; F387-V431 HydrophobicContact CE2-CG2 3.87Å; F387-V431 HydrophobicContact CZ-CG1 4.13Å; F387-V431 HydrophobicContact CZ-CG2 4.13Å; F387-C481 HydrophobicContact CE1-CB 4.2Å; F387-C481 HydrophobicContact CZ-CB 3.62Å; F387-F482 AromaticContact CD1-CD1 3.94Å; F387-F482 HydrophobicContact CD1-CD1 3.94Å; F387-F482 AromaticContact CD1-CE1 3.8Å; F387-F482 HydrophobicContact CD1-CE1 3.8Å; F387-F482 HydrophobicContact CD2-CE1 4.02Å; F387-F482 AromaticContact CE1-CD1 3.54Å; F387-F482 HydrophobicContact CE1-CD1 3.54Å; F387-F482 AromaticContact CE1-CE1 3.64Å; F387-F482 HydrophobicContact CE1-CE1 3.64Å; F387-F482 HydrophobicContact CE2-CD1 4.49Å; F387-F482 AromaticContact CE2-CE1 3.86Å; F387-F482 HydrophobicContact CE2-CE1 3.86Å; F387-F482 AromaticContact CG-CE1 4Å; F387-F482 HydrophobicContact CG-CE1 4Å; F387-F482 AromaticContact CZ-CD1 3.86Å; F387-F482 HydrophobicContact CZ-CD1 3.86Å; F387-F482 AromaticContact CZ-CE1 3.68Å; F387-F482 HydrophobicContact CZ-CE1 3.68Å; F387-F482 WeakPolarHBondContact O-CZ 3.39Å; F387-A509 HydrophobicContact CE1-CB 3.61Å; F387-A509 HydrophobicContact CZ-CB 3.95Å; F387-L512 HydrophobicContact CB-CD1 3.94Å; F387-L512 HydrophobicContact CD1-CD1 3.83Å; F387-L512 HydrophobicContact CD1-CD2 4.01Å; F387-L512 HydrophobicContact CD2-CD1 4.2Å; F387-L512 HydrophobicContact CD2-CD2 3.99Å; F387-L512 HydrophobicContact CE1-CD1 4.39Å; F387-L512 HydrophobicContact CE1-CD2 3.74Å; F387-L512 HydrophobicContact CE2-CD2 3.72Å; F387-L512 HydrophobicContact CG-CD1 3.71Å; F387-L512 HydrophobicContact CG-CD2 4.12Å; F387-L512 HydrophobicContact CZ-CD2 3.58Å
388	P	96	Very high	93.5	Very high	31 Å²	31	41.2 Å²	41.2	20%	0.201	21%	0.209	C	C	.	.			trans	-82.2	159.5	-173.3	36.5	-38.3	0	0	0	111.7	I319 Y320 R390 L391 Y514	I319-P388 HydrophobicContact CG2-CG 4.47Å; Y320-P388 HydrophobicContact CE2-CG 4.08Å; P388-R390 VanDerWaalsContact CB-O 3.28Å; P388-R390 WeakPolarHBondContact CB-O 3.38Å; P388-R390 VanDerWaalsContact CG-O 3.24Å; P388-R390 WeakPolarHBondContact CG-O 3.32Å; P388-R390 PolarHBondContact O-N 3.46Å; P388-L391 HydrophobicContact CG-CB 4.27Å; P388-L391 HydrophobicContact CG-CD1 4.21Å; P388-Y514 PolarHBondContact O-OH 2.87Å
389	L	94	Very high	93.5	Very high	86 Å²	86	43.1 Å²	43.1	45%	0.45	22%	0.223	S	C	.	.	S	Bend	trans	-68.5	-26.6	168.2	-69	178.5	0	0	0	112.4	L428 W461 L477	L389-L428 HydrophobicContact CD2-CB 4.44Å; L389-L428 HydrophobicContact CD2-CD2 3.98Å; L389-L428 PolarHBondContact O-N 2.89Å; L389-W461 HydrophobicContact CD2-CZ2 4.44Å; L389-L477 HydrophobicContact CD2-CD1 3.75Å
390	R	94.9	Very high	93.3	Very high	129 Å²	129	43.9 Å²	43.9	49%	0.487	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.2	176.5	-175.9	174.3	-69.5	176.4	-2.1	110.3	P388 Y426 D427	P388-R390 VanDerWaalsContact CB-O 3.28Å; P388-R390 WeakPolarHBondContact CB-O 3.38Å; P388-R390 VanDerWaalsContact CG-O 3.24Å; P388-R390 WeakPolarHBondContact CG-O 3.32Å; P388-R390 PolarHBondContact O-N 3.46Å; R390-Y426 CarbonylContact C-O 3.56Å; R390-Y426 VanDerWaalsContact CA-O 3.25Å; R390-Y426 WeakPolarHBondContact CA-O 3.34Å; R390-D427 IonicContact NE-OD1 3.46Å; R390-D427 PolarHBondContact NE-OD1 3.06Å; R390-D427 IonicContact NH2-OD1 3.81Å
391	L	96.4	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.7	-176.3	179.9	66.6	0	0	0	110.1	I319 Y320 L323 F364 P388 M393 E425 Y426 Y514	I319-L391 HydrophobicContact CD1-CD2 4.32Å; I319-L391 HydrophobicContact CG2-CD1 4.15Å; Y320-L391 HydrophobicContact CD1-CD1 4.23Å; Y320-L391 HydrophobicContact CE1-CD1 3.64Å; L323-L391 HydrophobicContact CD1-CD1 4.3Å; F364-L391 HydrophobicContact CE2-CD2 3.6Å; F364-L391 HydrophobicContact CZ-CD2 3.67Å; P388-L391 HydrophobicContact CG-CB 4.27Å; P388-L391 HydrophobicContact CG-CD1 4.21Å; L391-M393 HydrophobicContact CD2-CG 4.28Å; L391-M393 HydrophobicContact CD2-SD 3.82Å; L391-M393 HydrophobicContact CG-CG 4.36Å; L391-M393 HydrophobicContact CG-SD 4.15Å; L391-E425 CarbonylContact O-C 3.56Å; L391-E425 WeakPolarHBondContact O-CA 3.47Å; L391-Y426 PolarHBondContact N-O 3.28Å; L391-Y426 PolarHBondContact O-N 2.88Å; L391-Y514 HydrophobicContact CB-CD1 3.95Å; L391-Y514 HydrophobicContact CB-CE1 3.67Å; L391-Y514 HydrophobicContact CD2-CD1 4.45Å; L391-Y514 HydrophobicContact CD2-CE1 4.34Å; L391-Y514 HydrophobicContact CD2-CE2 4.4Å
392	D	95.1	Very high	92.3	Very high	61 Å²	61	46 Å²	46	33%	0.326	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.9	171.7	178.6	16.6	0	0	0	109.7	T394	D392-T394 WeakPolarHBondContact OD1-CB 3.14Å; D392-T394 PolarHBondContact OD1-N 3.07Å; D392-T394 PolarHBondContact OD1-OG1 3.49Å
393	M	95.1	Very high	91	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.			trans	-94.2	-5	179.3	-70.2	-64.4	-64.3	0	0	113.4	L323 F355 L358 L362 F364 L391 P395 Y396 Y424 Y426	L323-M393 HydrophobicContact CD1-CE 4.46Å; L323-M393 HydrophobicContact CD1-SD 3.78Å; L323-M393 HydrophobicContact CD2-CE 4.04Å; L323-M393 HydrophobicContact CD2-SD 4.39Å; F355-M393 HydrophobicContact CD2-CE 4.21Å; F355-M393 HydrophobicContact CE2-CE 4.05Å; F355-M393 HydrophobicContact CZ-CE 4.27Å; L358-M393 HydrophobicContact CD1-CB 3.61Å; L358-M393 HydrophobicContact CD1-CG 4.45Å; L358-M393 HydrophobicContact CD2-CE 4.04Å; L362-M393 HydrophobicContact CD2-CE 4.04Å; L362-M393 HydrophobicContact CD2-CG 3.76Å; L362-M393 HydrophobicContact CD2-SD 3.91Å; F364-M393 HydrophobicContact CZ-SD 4.23Å; L391-M393 HydrophobicContact CD2-CG 4.28Å; L391-M393 HydrophobicContact CD2-SD 3.82Å; L391-M393 HydrophobicContact CG-CG 4.36Å; L391-M393 HydrophobicContact CG-SD 4.15Å; M393-P395 VanDerWaalsContact C-N 3.32Å; M393-Y396 HydrophobicContact CE-CD2 4.18Å; M393-Y396 PolarHBondContact O-N 3.01Å; M393-Y396 HydrophobicContact SD-CD2 4.07Å; M393-Y424 PolarHBondContact N-O 3.49Å; M393-Y426 HydrophobicContact CB-CE2 4.31Å; M393-Y426 HydrophobicContact CG-CD2 4.05Å; M393-Y426 HydrophobicContact CG-CE2 4.1Å
394	T	92.3	Very high	89.1	Confident	45 Å²	45	53.4 Å²	53.4	28%	0.276	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-49.7	-43.7	-179.8	-51.2	0	0	0	0	113.3	D392 Y396 T397 F400	D392-T394 WeakPolarHBondContact OD1-CB 3.14Å; D392-T394 PolarHBondContact OD1-N 3.07Å; D392-T394 PolarHBondContact OD1-OG1 3.49Å; T394-Y396 PolarHBondContact O-N 3.19Å; T394-Y396 VanDerWaalsContact O-N 3.09Å; T394-T397 PolarHBondContact O-N 2.95Å; T394-T397 PolarHBondContact O-OG1 3.17Å; T394-F400 WeakPolarHBondContact O-CB 3.4Å
395	P	92.8	Very high	86.7	Confident	45 Å²	45	52.6 Å²	52.6	29%	0.292	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.1	-19.7	-178.3	-24.1	35.8	0	0	0	115	M393 F400 L401	M393-P395 VanDerWaalsContact C-N 3.32Å; P395-F400 HydrophobicContact CB-CE1 4.37Å; P395-F400 WeakPolarHBondContact O-CD1 3.46Å; P395-L401 WeakPolarHBondContact O-CD2 3.31Å; P395-L401 WeakPolarHBondContact O-CG 3.3Å
396	Y	93.3	Very high	84.1	Confident	11 Å²	11	59.8 Å²	59.8	4%	0.043	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-99.9	-2.4	-173.9	-54.6	-66.2	0	0	0	113.2	Y320 L323 D324 T327 F355 M393 T394	Y320-Y396 PolarHBondContact O-OH 3.08Å; L323-Y396 HydrophobicContact CB-CD1 4.09Å; L323-Y396 HydrophobicContact CB-CD2 4.25Å; L323-Y396 HydrophobicContact CB-CE1 3.6Å; L323-Y396 HydrophobicContact CB-CE2 3.8Å; L323-Y396 HydrophobicContact CB-CG 4.39Å; L323-Y396 VanDerWaalsContact CB-CZ 3.44Å; L323-Y396 HydrophobicContact CD1-CD2 4.12Å; L323-Y396 HydrophobicContact CD1-CE2 3.68Å; L323-Y396 HydrophobicContact CG-CE2 4.33Å; D324-Y396 WeakPolarHBondContact OD1-CE1 3.48Å; D324-Y396 PolarHBondContact OD1-OH 3.06Å; T327-Y396 HydrophobicContact CG2-CD1 3.89Å; T327-Y396 HydrophobicContact CG2-CG 4.42Å; T327-Y396 WeakPolarHBondContact OG1-CD1 3.44Å; F355-Y396 WeakPolarHBondContact CD2-O 3.43Å; F355-Y396 PolarHBondContact N-O 3.13Å; F355-Y396 VanDerWaalsContact N-O 3.09Å; M393-Y396 HydrophobicContact CE-CD2 4.18Å; M393-Y396 PolarHBondContact O-N 3.01Å; M393-Y396 HydrophobicContact SD-CD2 4.07Å; T394-Y396 PolarHBondContact O-N 3.19Å; T394-Y396 VanDerWaalsContact O-N 3.09Å
397	T	92.3	Very high	81.5	Confident	10 Å²	10	69.7 Å²	69.7	6%	0.061	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-75.6	149	-178.1	61.2	0	0	0	0	112.6	F355 L358 T394 D399 F400 L401 Y424	F355-T397 CarbonylContact O-C 3.58Å; F355-T397 VanDerWaalsContact O-CA 3.3Å; F355-T397 WeakPolarHBondContact O-CA 3.49Å; L358-T397 HydrophobicContact CD1-CG2 4.06Å; T394-T397 PolarHBondContact O-N 2.95Å; T394-T397 PolarHBondContact O-OG1 3.17Å; T397-D399 VanDerWaalsContact C-N 3.29Å; T397-D399 PolarHBondContact O-N 2.83Å; T397-F400 PolarHBondContact O-N 3.34Å; T397-F400 WeakPolarHBondContact OG1-CB 3.26Å; T397-L401 WeakPolarHBondContact O-CB 3.39Å; T397-L401 WeakPolarHBondContact O-CG 3.41Å; T397-L401 PolarHBondContact O-N 2.95Å; T397-Y424 HydrophobicContact CG2-CD2 3.9Å; T397-Y424 HydrophobicContact CG2-CE2 4Å; T397-Y424 HydrophobicContact CG2-CG 4.39Å
398	E	87.9	Confident	78.6	Confident	28 Å²	28	78.3 Å²	78.3	13%	0.131	39%	0.394	C	S	.	.	H	α-helix	trans	-55.5	-44	177.2	-176.9	168.2	-107.5	0	0	111.7	T288 N290 Q301 C354 F355 F400 L401 M402	T288-E398 WeakPolarHBondContact CB-OE1 3.13Å; T288-E398 PolarHBondContact OG1-OE1 3.33Å; N290-E398 PolarHBondContact ND2-OE1 3.44Å; Q301-E398 PolarHBondContact NE2-OE1 2.91Å; C354-E398 HydrophobicContact CB-CB 3.89Å; C354-E398 HydrophobicContact CB-CG 4.33Å; F355-E398 PolarHBondContact O-N 3.47Å; E398-F400 VanDerWaalsContact C-N 3.34Å; E398-F400 PolarHBondContact O-N 3.11Å; E398-L401 PolarHBondContact O-N 3.4Å; E398-M402 HydrophobicContact CG-CG 4.07Å; E398-M402 VanDerWaalsContact O-CB 3.25Å; E398-M402 WeakPolarHBondContact O-CB 3.37Å; E398-M402 WeakPolarHBondContact O-CG 3.32Å; E398-M402 PolarHBondContact O-N 3.19Å
399	D	87	Confident	75.8	Confident	130 Å²	130	86.6 Å²	86.6	70%	0.695	43%	0.43	S	S	*	.	H	α-helix	trans	-61.1	-39.9	179.7	-72.9	-18.5	0	0	0	112.6	T397 G403	T397-D399 VanDerWaalsContact C-N 3.29Å; T397-D399 PolarHBondContact O-N 2.83Å; D399-G403 VanDerWaalsContact O-CA 3.27Å; D399-G403 WeakPolarHBondContact O-CA 3.44Å; D399-G403 PolarHBondContact O-N 3.49Å
400	F	86.6	Confident	73.2	Confident	89 Å²	89	85.6 Å²	85.6	39%	0.39	44%	0.44	S	S	.	.	H	α-helix	trans	-75.7	-42.5	179.2	-174.3	-91.6	0	0	0	112.4	T394 P395 T397 E398	T394-F400 WeakPolarHBondContact O-CB 3.4Å; P395-F400 HydrophobicContact CB-CE1 4.37Å; P395-F400 WeakPolarHBondContact O-CD1 3.46Å; T397-F400 PolarHBondContact O-N 3.34Å; T397-F400 WeakPolarHBondContact OG1-CB 3.26Å; E398-F400 VanDerWaalsContact C-N 3.34Å; E398-F400 PolarHBondContact O-N 3.11Å
401	L	85.3	Confident	70.3	Confident	27 Å²	27	88.9 Å²	88.9	14%	0.141	46%	0.458	C	S	.	.	H	α-helix	trans	-76.6	-34.1	-174.7	-70.6	-177	0	0	0	113.4	T327 R352 P395 T397 E398	T327-L401 HydrophobicContact CG2-CD1 4.13Å; R352-L401 VanDerWaalsContact NH2-CD2 3.26Å; P395-L401 WeakPolarHBondContact O-CD2 3.31Å; P395-L401 WeakPolarHBondContact O-CG 3.3Å; T397-L401 WeakPolarHBondContact O-CB 3.39Å; T397-L401 WeakPolarHBondContact O-CG 3.41Å; T397-L401 PolarHBondContact O-N 2.95Å; E398-L401 PolarHBondContact O-N 3.4Å
402	M	77.8	Confident	67.7	Low	60 Å²	60	98.5 Å²	98.5	30%	0.296	50%	0.5	S	S	.	.	H	α-helix	trans	-97	-24.2	179.9	-58.1	-62.6	-70.9	0	0	112.5	N290 V292 E398 K404 S405	N290-M402 HydrophobicContact CB-CE 4.4Å; V292-M402 HydrophobicContact CG2-CE 4.11Å; E398-M402 HydrophobicContact CG-CG 4.07Å; E398-M402 VanDerWaalsContact O-CB 3.25Å; E398-M402 WeakPolarHBondContact O-CB 3.37Å; E398-M402 WeakPolarHBondContact O-CG 3.32Å; E398-M402 PolarHBondContact O-N 3.19Å; M402-K404 PolarHBondContact O-N 3.12Å; M402-K404 VanDerWaalsContact O-N 3.13Å; M402-S405 PolarHBondContact O-OG 3.07Å
403	G	65.1	Low	64.8	Low	63 Å²	63	102.6 Å²	102.6	65%	0.649	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-0.3	-175	0	0	0	0	0	116.6	D399	D399-G403 VanDerWaalsContact O-CA 3.27Å; D399-G403 WeakPolarHBondContact O-CA 3.44Å; D399-G403 PolarHBondContact O-N 3.49Å
404	K	52.7	Low	62.2	Low	166 Å²	166	109.3 Å²	109.3	72%	0.722	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	0.2	-179.6	-78.4	-176	179	169.3	0	115.5	M402	M402-K404 PolarHBondContact O-N 3.12Å; M402-K404 VanDerWaalsContact O-N 3.13Å
405	S	45.1	Very low	59.5	Low	79 Å²	79	110.2 Å²	110.2	55%	0.552	58%	0.581	S	S	*	*	S	Bend	trans	-112.7	123.9	173.4	38.4	0	0	0	0	110.2	M402	M402-S405 PolarHBondContact O-OG 3.07Å
406	D	42.4	Very low	56.7	Low	151 Å²	151	114.6 Å²	114.6	81%	0.807	60%	0.602	S	S	*	*			trans	87.1	44.9	172.5	-58.6	-28.6	0	0	0	120.3
407	R	41.3	Very low	53.9	Low	240 Å²	240	126.6 Å²	126.6	91%	0.906	65%	0.647	S	S	*	*			trans	-101.1	86	141.6	-70.4	-169	-175.4	-165.7	1.8	109.5	E409	R407-E409 PolarHBondContact O-N 3.43Å
408	K	37.3	Very low	51.2	Low	194 Å²	194	130.2 Å²	130.2	84%	0.843	67%	0.673	S	S	*	*			trans	-47.9	132.2	157.4	-85	179.5	176.8	170	0	108.2	G410	K408-G410 PolarHBondContact O-N 3.15Å
409	E	38.1	Very low	49	Very low	204 Å²	204	138.2 Å²	138.2	95%	0.953	71%	0.707	S	S	*	*	S	Bend	trans	-48.5	121	174.6	-68.2	-177.9	141.9	0	0	110.5	R407	R407-E409 PolarHBondContact O-N 3.43Å
410	G	39.2	Very low	46.9	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	71%	0.713	S	S	*	*			trans	120.1	70.5	170.8	0	0	0	0	0	114.3	K408	K408-G410 PolarHBondContact O-N 3.15Å
411	F	34.2	Very low	45.1	Very low	198 Å²	198	142 Å²	142	87%	0.868	74%	0.737	S	S	*	*				-174.2	105.5	129.8	-114.2	-90	0	0	0	106.9	D413	F411-D413 VanDerWaalsContact C-N 3.29Å; F411-D413 PolarHBondContact O-N 2.87Å
412	K	40.1	Very low	44	Very low	203 Å²	203	146 Å²	146	88%	0.883	76%	0.755	S	S	*	*			trans	-70.9	93.1	164.7	-84.2	-177.3	175.4	178	0	106.5
413	D	35.3	Very low	43.9	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	76%	0.758	S	S	*	*			trans	-83.6	114.5	163	-144.3	-7.5	0	0	0	108.3	F411 G415	F411-D413 VanDerWaalsContact C-N 3.29Å; F411-D413 PolarHBondContact O-N 2.87Å; D413-G415 PolarHBondContact O-N 3.44Å
414	V	39.7	Very low	45	Very low	140 Å²	140	144.6 Å²	144.6	85%	0.848	74%	0.735	S	S	*	*			trans	-88.1	86.2	177.9	179.7	0	0	0	0	105.5
415	G	36.1	Very low	47	Very low	64 Å²	64	140 Å²	140	66%	0.66	72%	0.716	S	S	*	*			trans	-161.1	112.9	179.6	0	0	0	0	0	111.4	D413	D413-G415 PolarHBondContact O-N 3.44Å
416	D	34.5	Very low	49.4	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	69%	0.69	S	S	*	*			trans	74.4	71.2	160	-130.9	24.2	0	0	0	118.4	S418	D416-S418 PolarHBondContact O-N 3.09Å; D416-S418 PolarHBondContact OD1-OG 2.91Å
417	R	34	Very low	51.9	Low	263 Å²	263	129.6 Å²	129.6	99%	0.992	65%	0.654	S	S	*	*			trans	-87.9	51.9	157.6	-79.4	-174.7	168.9	-171.3	-4.3	111
418	S	36.3	Very low	54.6	Low	85 Å²	85	118.3 Å²	118.3	59%	0.594	61%	0.611	S	S	*	*			trans	-138.3	51.7	174.2	46	0	0	0	0	112.4	D416	D416-S418 PolarHBondContact O-N 3.09Å; D416-S418 PolarHBondContact OD1-OG 2.91Å
419	K	41.1	Very low	57.4	Low	196 Å²	196	109.4 Å²	109.4	85%	0.852	57%	0.573	S	S	*	*	S	Bend	trans	-99.7	110	144.2	-82.7	-174.1	175.2	-176.9	0	105.9	T421	K419-T421 PolarHBondContact O-N 2.97Å
420	D	42.2	Very low	60.2	Low	154 Å²	154	99.7 Å²	99.7	82%	0.824	53%	0.528	S	S	*	.			trans	-42.5	125.3	168.7	-70.6	-48.9	0	0	0	108.8	E422	D420-E422 VanDerWaalsContact C-N 3.29Å; D420-E422 PolarHBondContact O-N 3.26Å
421	T	49	Very low	63	Low	146 Å²	146	96.6 Å²	96.6	90%	0.896	50%	0.496	S	S	*	.			trans	-60.1	94.7	178.3	-16.6	0	0	0	0	107.5	K419 S423	K419-T421 PolarHBondContact O-N 2.97Å; T421-S423 PolarHBondContact O-N 3.41Å
422	E	61.9	Low	66.1	Low	110 Å²	110	87.1 Å²	87.1	51%	0.514	45%	0.454	S	S	.	.			trans	-55.7	110.7	172.6	-99.4	-165.8	-153.6	0	0	107.8	D420 Y424 R516	D420-E422 VanDerWaalsContact C-N 3.29Å; D420-E422 PolarHBondContact O-N 3.26Å; E422-Y424 HydrophobicContact CB-CE1 4.42Å; E422-Y424 HydrophobicContact CB-CE2 4.32Å; E422-Y424 PolarHBondContact O-N 2.99Å; E422-Y424 WeakPolarHBondContact OE2-CE1 3.46Å; E422-Y424 PolarHBondContact OE2-OH 3.48Å; E422-R516 IonicContact OE2-CZ 3.26Å; E422-R516 IonicContact OE2-NH1 3.07Å; E422-R516 PolarHBondContact OE2-NH1 3.06Å; E422-R516 IonicContact OE2-NH2 3.52Å; E422-R516 PolarHBondContact OE2-NH2 3.29Å
423	S	75.6	Confident	68.8	Low	50 Å²	50	77.5 Å²	77.5	35%	0.35	41%	0.412	S	S	.	.			trans	-66.8	124.6	173	179.3	0	0	0	0	108.5	T421 E425 R516	T421-S423 PolarHBondContact O-N 3.41Å; S423-E425 VanDerWaalsContact C-N 3.34Å; S423-E425 PolarHBondContact OG-N 3.25Å; S423-R516 PolarHBondContact O-NE 3.15Å; S423-R516 PolarHBondContact O-NH2 3.35Å
424	Y	89.5	Confident	71.7	Confident	44 Å²	44	70.7 Å²	70.7	17%	0.173	38%	0.376	C	S	.	.			trans	-102.6	29.9	170.9	-63.2	-62.8	0	0	0	111.1	L358 M393 T397 E422 Y426	L358-Y424 HydrophobicContact CB-CD1 4.45Å; L358-Y424 HydrophobicContact CD1-CD1 3.6Å; L358-Y424 HydrophobicContact CD1-CE1 4.2Å; L358-Y424 HydrophobicContact CD1-CG 3.95Å; M393-Y424 PolarHBondContact N-O 3.49Å; T397-Y424 HydrophobicContact CG2-CD2 3.9Å; T397-Y424 HydrophobicContact CG2-CE2 4Å; T397-Y424 HydrophobicContact CG2-CG 4.39Å; E422-Y424 HydrophobicContact CB-CE1 4.42Å; E422-Y424 HydrophobicContact CB-CE2 4.32Å; E422-Y424 PolarHBondContact O-N 2.99Å; E422-Y424 WeakPolarHBondContact OE2-CE1 3.46Å; E422-Y424 PolarHBondContact OE2-OH 3.48Å; Y424-Y426 VanDerWaalsContact O-CD2 3.26Å; Y424-Y426 WeakPolarHBondContact O-CD2 3.18Å; Y424-Y426 WeakPolarHBondContact O-CE2 3.42Å
425	E	94.2	Very high	74.4	Confident	70 Å²	70	66 Å²	66	33%	0.327	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.7	169.7	-62.3	-174.6	122	0	0	111.1	L391 S423 M517	L391-E425 CarbonylContact O-C 3.56Å; L391-E425 WeakPolarHBondContact O-CA 3.47Å; S423-E425 VanDerWaalsContact C-N 3.34Å; S423-E425 PolarHBondContact OG-N 3.25Å; E425-M517 HydrophobicContact CB-CE 3.42Å; E425-M517 VanDerWaalsContact CB-CE 3.42Å; E425-M517 HydrophobicContact CG-CE 4.13Å; E425-M517 PolarHBondContact O-N 3.48Å; E425-M517 WeakPolarHBondContact OE2-CE 3.28Å
426	Y	95.7	Very high	77	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.5	-179	-70.9	-108.1	0	0	0	111.5	L358 P359 L362 R390 L391 M393 Y424 K515 R516	L358-Y426 WeakPolarHBondContact CB-OH 3.28Å; P359-Y426 WeakPolarHBondContact O-CE1 3.27Å; P359-Y426 PolarHBondContact O-OH 3.43Å; L362-Y426 HydrophobicContact CB-CD1 3.94Å; L362-Y426 HydrophobicContact CB-CE1 3.72Å; R390-Y426 CarbonylContact C-O 3.56Å; R390-Y426 VanDerWaalsContact CA-O 3.25Å; R390-Y426 WeakPolarHBondContact CA-O 3.34Å; L391-Y426 PolarHBondContact N-O 3.28Å; L391-Y426 PolarHBondContact O-N 2.88Å; M393-Y426 HydrophobicContact CB-CE2 4.31Å; M393-Y426 HydrophobicContact CG-CD2 4.05Å; M393-Y426 HydrophobicContact CG-CE2 4.1Å; Y424-Y426 VanDerWaalsContact O-CD2 3.26Å; Y424-Y426 WeakPolarHBondContact O-CD2 3.18Å; Y424-Y426 WeakPolarHBondContact O-CE2 3.42Å; Y426-K515 CarbonylContact C-O 3.54Å; Y426-K515 VanDerWaalsContact CA-O 3.25Å; Y426-K515 WeakPolarHBondContact CA-O 3.28Å; Y426-K515 VanDerWaalsContact CD1-C 3.45Å; Y426-R516 VanDerWaalsContact CD1-CA 3.48Å; Y426-R516 HydrophobicContact CD1-CB 3.97Å; Y426-R516 HydrophobicContact CE1-CB 3.53Å; Y426-R516 HydrophobicContact CE1-CG 4.19Å; Y426-R516 HydrophobicContact CE2-CB 4.4Å; Y426-R516 HydrophobicContact CE2-CG 4.19Å
427	D	95.1	Very high	79.7	Confident	11 Å²	11	61.4 Å²	61.4	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.1	170.6	-92.9	8.5	0	0	0	110.4	R390 I429 R448 Y456 Y514 K515	R390-D427 IonicContact NE-OD1 3.46Å; R390-D427 PolarHBondContact NE-OD1 3.06Å; R390-D427 IonicContact NH2-OD1 3.81Å; D427-I429 PolarHBondContact O-N 2.88Å; D427-R448 IonicContact OD2-NH1 3.7Å; D427-R448 PolarHBondContact OD2-NH1 2.92Å; D427-R448 VanDerWaalsContact OD2-NH1 3.15Å; D427-Y456 PolarHBondContact OD2-OH 3.49Å; D427-Y514 CarbonylContact O-C 3.56Å; D427-Y514 VanDerWaalsContact O-CA 3.26Å; D427-Y514 WeakPolarHBondContact O-CA 3.38Å; D427-K515 PolarHBondContact N-O 3.28Å; D427-K515 PolarHBondContact O-N 3.44Å
428	L	97	Very high	82.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.6	170.5	-174.2	68.2	0	0	0	109.4	F387 L389 V431 W461 L512 Y514	F387-L428 HydrophobicContact CD2-CD2 3.99Å; F387-L428 HydrophobicContact CE2-CD2 3.8Å; L389-L428 HydrophobicContact CD2-CB 4.44Å; L389-L428 HydrophobicContact CD2-CD2 3.98Å; L389-L428 PolarHBondContact O-N 2.89Å; L428-V431 HydrophobicContact CD1-CG2 4.02Å; L428-V431 HydrophobicContact CD2-CG2 3.79Å; L428-V431 HydrophobicContact CG-CG2 4.2Å; L428-W461 HydrophobicContact CD2-CH2 4.08Å; L428-W461 HydrophobicContact CG-CH2 3.94Å; L428-L512 HydrophobicContact CD1-CB 4.39Å; L428-Y514 HydrophobicContact CB-CD1 4.12Å; L428-Y514 HydrophobicContact CB-CE1 3.76Å; L428-Y514 HydrophobicContact CD1-CD1 4.38Å; L428-Y514 HydrophobicContact CD1-CD2 4.04Å; L428-Y514 HydrophobicContact CD1-CE1 4Å; L428-Y514 HydrophobicContact CD1-CE2 3.66Å; L428-Y514 HydrophobicContact CD1-CG 4.4Å; L428-Y514 HydrophobicContact CG-CE1 4.45Å
429	I	96.6	Very high	84.3	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-20.2	-178.9	61.6	157.9	0	0	0	113.1	I193 I361 D427 I447 R448 I450 F513 K515	I193-I429 HydrophobicContact CG1-CD1 4.15Å; I361-I429 HydrophobicContact CD1-CD1 4.04Å; D427-I429 PolarHBondContact O-N 2.88Å; I429-I447 WeakPolarHBondContact O-CG2 3.09Å; I429-R448 WeakPolarHBondContact O-CB 3.47Å; I429-R448 PolarHBondContact O-N 3.29Å; I429-I450 HydrophobicContact CB-CG2 4.15Å; I429-I450 HydrophobicContact CD1-CD1 4.19Å; I429-I450 HydrophobicContact CG2-CD1 4.43Å; I429-I450 HydrophobicContact CG2-CG2 3.67Å; I429-F513 HydrophobicContact CD1-CB 4.41Å; I429-F513 HydrophobicContact CG1-CB 3.96Å; I429-F513 WeakPolarHBondContact CG1-O 3.45Å; I429-F513 PolarHBondContact N-O 3.44Å; I429-K515 HydrophobicContact CD1-CB 4.14Å; I429-K515 HydrophobicContact CG1-CB 4.37Å; I429-K515 HydrophobicContact CG2-CB 3.61Å
430	G	97.6	Very high	86.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	144.5	-177.8	0	0	0	0	0	112.9	F446 F513	G430-F446 CarbonylContact C-O 3.55Å; G430-F446 WeakPolarHBondContact CA-O 3.29Å; G430-F513 PolarHBondContact N-O 3.42Å; G430-F513 PolarHBondContact O-N 2.94Å
431	V	98.3	Very high	88.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.6	174	-179.6	0	0	0	0	108.1	F387 L428 V433 S445 F446 L477 C481 A509 L512	F387-V431 HydrophobicContact CE2-CG2 3.87Å; F387-V431 HydrophobicContact CZ-CG1 4.13Å; F387-V431 HydrophobicContact CZ-CG2 4.13Å; L428-V431 HydrophobicContact CD1-CG2 4.02Å; L428-V431 HydrophobicContact CD2-CG2 3.79Å; L428-V431 HydrophobicContact CG-CG2 4.2Å; V431-V433 HydrophobicContact CG1-CG2 4.11Å; V431-S445 CarbonylContact O-C 3.51Å; V431-S445 WeakPolarHBondContact O-CA 3.29Å; V431-F446 PolarHBondContact N-O 2.87Å; V431-F446 PolarHBondContact O-N 3.25Å; V431-L477 HydrophobicContact CG2-CD2 4.4Å; V431-C481 HydrophobicContact CG1-CB 4.05Å; V431-A509 HydrophobicContact CG1-CB 3.76Å; V431-L512 HydrophobicContact CB-CD2 4.35Å; V431-L512 HydrophobicContact CG1-CD2 3.88Å; V431-L512 HydrophobicContact CG2-CD2 3.93Å
432	T	97.9	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	166	-52.2	0	0	0	0	109.2	Q189 M257 Y443 Y444 S445 A509 Y510 M511	Q189-T432 PolarHBondContact NE2-OG1 3.14Å; M257-T432 HydrophobicContact CE-CG2 3.76Å; M257-T432 WeakPolarHBondContact CE-OG1 3.2Å; M257-T432 HydrophobicContact SD-CG2 3.1Å; M257-T432 WeakPolarHBondContact SD-CG2 3.24Å; T432-Y443 HydrophobicContact CG2-CD1 4.14Å; T432-Y444 WeakPolarHBondContact CA-O 3.2Å; T432-Y444 WeakPolarHBondContact CG2-O 3.32Å; T432-S445 PolarHBondContact OG1-OG 2.92Å; T432-A509 CarbonylContact O-C 3.48Å; T432-A509 WeakPolarHBondContact O-CA 3.5Å; T432-Y510 PolarHBondContact O-N 3.2Å; T432-M511 PolarHBondContact N-O 3.37Å; T432-M511 PolarHBondContact O-N 2.85Å
433	V	97.7	Very high	92.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.6	176	179	0	0	0	0	109.8	V431 Y443 Y444 F446 C481 H507 S508	V431-V433 HydrophobicContact CG1-CG2 4.11Å; V433-Y443 WeakPolarHBondContact O-CA 3.42Å; V433-Y444 HydrophobicContact CB-CD2 4.15Å; V433-Y444 HydrophobicContact CB-CE1 4.09Å; V433-Y444 HydrophobicContact CB-CE2 3.65Å; V433-Y444 HydrophobicContact CG1-CE1 3.86Å; V433-Y444 HydrophobicContact CG1-CE2 3.97Å; V433-Y444 VanDerWaalsContact CG1-CZ 3.43Å; V433-Y444 VanDerWaalsContact CG1-OH 3.25Å; V433-Y444 WeakPolarHBondContact CG1-OH 3.43Å; V433-Y444 HydrophobicContact CG2-CE2 4.1Å; V433-Y444 PolarHBondContact N-O 2.57Å; V433-Y444 PolarHBondContact O-N 2.67Å; V433-Y444 VanDerWaalsContact O-N 3.11Å; V433-F446 HydrophobicContact CG2-CD2 3.91Å; V433-F446 HydrophobicContact CG2-CE2 3.78Å; V433-C481 HydrophobicContact CG2-CB 4.41Å; V433-H507 HydrophobicContact CG1-CB 3.95Å; V433-S508 WeakPolarHBondContact CA-O 3.33Å; V433-S508 WeakPolarHBondContact CG1-O 3.48Å
434	H	96.6	Very high	93.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125	169.1	178.2	-107.7	0	0	0	109.6	Y369 K380 T437 G441 H442 Y443 H507 S508 Y510	Y369-H434 PolarHBondContact OH-CE1 2.94Å; Y369-H434 PolarHBondContact OH-ND1 3.34Å; K380-H434 PolarHBondContact NZ-ND1 3.19Å; K380-H434 PolarHBondContact NZ-O 3.44Å; H434-T437 PolarHBondContact CE1-O 3.14Å; H434-T437 VanDerWaalsContact CE1-O 3.27Å; H434-G441 WeakPolarHBondContact NE2-CA 3.04Å; H434-H442 WeakPolarHBondContact CA-O 3.47Å; H434-Y443 HydrophobicContact CB-CD1 3.89Å; H434-Y443 HydrophobicContact CB-CE1 3.66Å; H434-Y443 AromaticContact CD2-CD1 3.87Å; H434-Y443 AromaticContact CD2-CE1 3.53Å; H434-Y443 AromaticContact CD2-CE2 3.87Å; H434-Y443 AromaticContact CD2-CZ 3.53Å; H434-Y443 AromaticContact CG-CE1 3.81Å; H434-H507 WeakPolarHBondContact O-CA 3.48Å; H434-S508 PolarHBondContact N-O 3.15Å; H434-S508 PolarHBondContact O-N 3.03Å; H434-Y510 HydrophobicContact CB-CG 4.3Å
435	T	95.1	Very high	94.2	Very high	41 Å²	41	24 Å²	24	25%	0.252	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.4	171.1	-173.1	0	0	0	0	110.5	G441 H442 Y444 T506	T435-G441 CarbonylContact O-C 3.54Å; T435-G441 WeakPolarHBondContact O-CA 3.29Å; T435-H442 HydrophobicContact CG2-CB 3.78Å; T435-H442 PolarHBondContact N-O 2.94Å; T435-H442 PolarHBondContact O-N 3.2Å; T435-Y444 HydrophobicContact CG2-CE1 4.06Å; T435-T506 WeakPolarHBondContact CA-O 3.36Å
436	G	92.1	Very high	94.4	Very high	21 Å²	21	20.9 Å²	20.9	22%	0.216	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125	-161.3	-176.7	0	0	0	0	0	113.2	K380 T506	K380-G436 WeakPolarHBondContact CD-O 3.4Å; K380-G436 PolarHBondContact NZ-O 3.45Å; G436-T506 PolarHBondContact N-O 3.25Å; G436-T506 VanDerWaalsContact N-O 3.14Å
437	T	89.6	Confident	94.5	Very high	85 Å²	85	21 Å²	21	52%	0.521	13%	0.131	S	C	.	.			trans	-102.8	-173.8	-174.7	69.3	0	0	0	0	111.5	H434 D439 G440	H434-T437 PolarHBondContact CE1-O 3.14Å; H434-T437 VanDerWaalsContact CE1-O 3.27Å; T437-D439 VanDerWaalsContact C-N 3.28Å; T437-D439 PolarHBondContact O-N 3.41Å; T437-D439 PolarHBondContact OG1-N 3.42Å; T437-G440 PolarHBondContact N-O 3.26Å; T437-G440 PolarHBondContact OG1-N 3.07Å; T437-G440 PolarHBondContact OG1-O 2.95Å
438	A	84.4	Confident	94.5	Very high	15 Å²	15	21.9 Å²	21.9	12%	0.124	13%	0.133	C	C	.	.	S	Bend	trans	-73.1	-20.2	177.5	0	0	0	0	0	114.4	Y369 K378	Y369-A438 HydrophobicContact CD1-CB 3.9Å; Y369-A438 HydrophobicContact CE1-CB 4.12Å; K378-A438 HydrophobicContact CB-CB 3.99Å; K378-A438 HydrophobicContact CD-CB 3.99Å; K378-A438 HydrophobicContact CG-CB 3.79Å; K378-A438 VanDerWaalsContact O-CB 3.31Å; K378-A438 WeakPolarHBondContact O-CB 3.1Å
439	D	82.5	Confident	94.3	Very high	121 Å²	121	22.2 Å²	22.2	65%	0.647	14%	0.135	S	C	*	.	S	Bend	trans	-99.5	-21.2	-175.8	-59.6	-45.5	0	0	0	112.7	T437	T437-D439 VanDerWaalsContact C-N 3.28Å; T437-D439 PolarHBondContact O-N 3.41Å; T437-D439 PolarHBondContact OG1-N 3.42Å
440	G	85.9	Confident	94	Very high	23 Å²	23	22.8 Å²	22.8	24%	0.237	14%	0.138	C	C	.	.			trans	-167.8	149.1	176.6	0	0	0	0	0	113.8	T437	T437-G440 PolarHBondContact N-O 3.26Å; T437-G440 PolarHBondContact OG1-N 3.07Å; T437-G440 PolarHBondContact OG1-O 2.95Å
441	G	92.2	Very high	93.4	Very high	23 Å²	23	24.5 Å²	24.5	24%	0.237	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	-158	179	0	0	0	0	0	113.2	H434 T435	H434-G441 WeakPolarHBondContact NE2-CA 3.04Å; T435-G441 CarbonylContact O-C 3.54Å; T435-G441 WeakPolarHBondContact O-CA 3.29Å
442	H	96.1	Very high	92.7	Very high	43 Å²	43	27.9 Å²	27.9	20%	0.199	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.7	-174.5	-178.1	55	0	0	0	111.1	C181 H434 T435 N465 D466	C181-H442 WeakPolarHBondContact CB-CE1 3.46Å; C181-H442 VanDerWaalsContact CB-ND1 3.28Å; C181-H442 WeakPolarHBondContact CB-ND1 3.48Å; C181-H442 PolarHBondContact SG-ND1 3.19Å; C181-H442 VanDerWaalsContact SG-ND1 3.36Å; H434-H442 WeakPolarHBondContact CA-O 3.47Å; T435-H442 HydrophobicContact CG2-CB 3.78Å; T435-H442 PolarHBondContact N-O 2.94Å; T435-H442 PolarHBondContact O-N 3.2Å; H442-N465 PolarHBondContact NE2-OD1 2.81Å; H442-D466 IonicContact CE1-OD1 2.7Å; H442-D466 IonicContact CE1-OD2 3.31Å; H442-D466 PolarHBondContact CE1-OD2 3.26Å; H442-D466 IonicContact NE2-OD2 3.14Å
443	Y	97.6	Very high	91.9	Very high	13 Å²	13	31 Å²	31	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.7	178.8	-67.1	-81.1	0	0	0	110.9	C181 S185 M257 T432 V433 H434 Y510	C181-Y443 PolarHBondContact SG-N 2.97Å; C181-Y443 VanDerWaalsContact SG-N 3.38Å; S185-Y443 PolarHBondContact OG-O 3.02Å; M257-Y443 HydrophobicContact CB-CD1 4.14Å; M257-Y443 HydrophobicContact CB-CE1 3.89Å; M257-Y443 HydrophobicContact CB-CE2 4.41Å; M257-Y443 HydrophobicContact CB-CG 4.49Å; M257-Y443 HydrophobicContact SD-CD1 4.19Å; T432-Y443 HydrophobicContact CG2-CD1 4.14Å; V433-Y443 WeakPolarHBondContact O-CA 3.42Å; H434-Y443 HydrophobicContact CB-CD1 3.89Å; H434-Y443 HydrophobicContact CB-CE1 3.66Å; H434-Y443 AromaticContact CD2-CD1 3.87Å; H434-Y443 AromaticContact CD2-CE1 3.53Å; H434-Y443 AromaticContact CD2-CE2 3.87Å; H434-Y443 AromaticContact CD2-CZ 3.53Å; H434-Y443 AromaticContact CG-CE1 3.81Å; Y443-Y510 HydrophobicContact CD1-CD1 4.43Å; Y443-Y510 AromaticContact CE1-CD1 3.58Å; Y443-Y510 HydrophobicContact CE1-CD1 3.58Å; Y443-Y510 HydrophobicContact CE1-CE1 4.06Å; Y443-Y510 AromaticContact CE1-CG 3.96Å; Y443-Y510 HydrophobicContact CE1-CG 3.96Å
444	Y	98.1	Very high	91.1	Very high	25 Å²	25	37.8 Å²	37.8	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.7	170.7	59.7	-88.7	0	0	0	110	S185 T432 V433 T435 F446 L463 F464	S185-Y444 WeakPolarHBondContact OG-CA 3.25Å; S185-Y444 PolarHBondContact OG-N 3.36Å; T432-Y444 WeakPolarHBondContact CA-O 3.2Å; T432-Y444 WeakPolarHBondContact CG2-O 3.32Å; V433-Y444 HydrophobicContact CB-CD2 4.15Å; V433-Y444 HydrophobicContact CB-CE1 4.09Å; V433-Y444 HydrophobicContact CB-CE2 3.65Å; V433-Y444 HydrophobicContact CG1-CE1 3.86Å; V433-Y444 HydrophobicContact CG1-CE2 3.97Å; V433-Y444 VanDerWaalsContact CG1-CZ 3.43Å; V433-Y444 VanDerWaalsContact CG1-OH 3.25Å; V433-Y444 WeakPolarHBondContact CG1-OH 3.43Å; V433-Y444 HydrophobicContact CG2-CE2 4.1Å; V433-Y444 PolarHBondContact N-O 2.57Å; V433-Y444 PolarHBondContact O-N 2.67Å; V433-Y444 VanDerWaalsContact O-N 3.11Å; T435-Y444 HydrophobicContact CG2-CE1 4.06Å; Y444-F446 HydrophobicContact CD2-CE2 4.32Å; Y444-F446 HydrophobicContact CD2-CZ 4.32Å; Y444-F446 AromaticContact CE2-CE2 3.67Å; Y444-F446 HydrophobicContact CE2-CE2 3.67Å; Y444-F446 AromaticContact CE2-CZ 3.7Å; Y444-F446 HydrophobicContact CE2-CZ 3.7Å; Y444-L463 HydrophobicContact CD2-CD1 3.51Å; Y444-L463 HydrophobicContact CE2-CD1 4.17Å; Y444-L463 HydrophobicContact CG-CD1 4.31Å; Y444-F464 WeakPolarHBondContact CB-O 3.36Å
445	S	98.2	Very high	90.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.8	-170.9	-71	0	0	0	0	112.9	S185 Q189 V431 T432 F464	S185-S445 WeakPolarHBondContact CB-OG 3.47Å; S185-S445 PolarHBondContact OG-OG 3.47Å; Q189-S445 PolarHBondContact NE2-OG 3.06Å; V431-S445 CarbonylContact O-C 3.51Å; V431-S445 WeakPolarHBondContact O-CA 3.29Å; T432-S445 PolarHBondContact OG1-OG 2.92Å; S445-F464 PolarHBondContact N-O 2.89Å; S445-F464 PolarHBondContact O-N 3.37Å
446	F	98.4	Very high	89.7	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.1	161.6	-60.6	-68	0	0	0	108.5	G430 V431 V433 Y444 W461 Y462 L463 F472 L477 E480	G430-F446 CarbonylContact C-O 3.55Å; G430-F446 WeakPolarHBondContact CA-O 3.29Å; V431-F446 PolarHBondContact N-O 2.87Å; V431-F446 PolarHBondContact O-N 3.25Å; V433-F446 HydrophobicContact CG2-CD2 3.91Å; V433-F446 HydrophobicContact CG2-CE2 3.78Å; Y444-F446 HydrophobicContact CD2-CE2 4.32Å; Y444-F446 HydrophobicContact CD2-CZ 4.32Å; Y444-F446 AromaticContact CE2-CE2 3.67Å; Y444-F446 HydrophobicContact CE2-CE2 3.67Å; Y444-F446 AromaticContact CE2-CZ 3.7Å; Y444-F446 HydrophobicContact CE2-CZ 3.7Å; F446-W461 HydrophobicContact CB-CE3 4.08Å; F446-W461 HydrophobicContact CB-CZ3 4.34Å; F446-Y462 WeakPolarHBondContact CA-O 3.27Å; F446-L463 HydrophobicContact CD1-CB 4.02Å; F446-L463 HydrophobicContact CD1-CD1 3.97Å; F446-L463 HydrophobicContact CE1-CB 3.91Å; F446-L463 HydrophobicContact CE1-CD1 3.57Å; F446-L463 HydrophobicContact CE1-CG 4.19Å; F446-L463 HydrophobicContact CZ-CD1 4.14Å; F446-F472 HydrophobicContact CB-CD1 4.47Å; F446-F472 HydrophobicContact CD1-CB 4.21Å; F446-F472 AromaticContact CD1-CD1 3.56Å; F446-F472 HydrophobicContact CD1-CD1 3.56Å; F446-F472 AromaticContact CD1-CD2 3.86Å; F446-F472 HydrophobicContact CD1-CD2 3.86Å; F446-F472 AromaticContact CD1-CE1 3.76Å; F446-F472 HydrophobicContact CD1-CE1 3.76Å; F446-F472 HydrophobicContact CD1-CE2 4.06Å; F446-F472 AromaticContact CD1-CG 3.59Å; F446-F472 HydrophobicContact CD1-CG 3.59Å; F446-F472 HydrophobicContact CD1-CZ 4Å; F446-F472 HydrophobicContact CE1-CB 4.49Å; F446-F472 AromaticContact CE1-CD1 3.98Å; F446-F472 HydrophobicContact CE1-CD1 3.98Å; F446-F472 AromaticContact CE1-CD2 3.43Å; F446-F472 HydrophobicContact CE1-CD2 3.43Å; F446-F472 VanDerWaalsContact CE1-CD2 3.43Å; F446-F472 AromaticContact CE1-CE1 3.96Å; F446-F472 HydrophobicContact CE1-CE1 3.96Å; F446-F472 AromaticContact CE1-CE2 3.44Å; F446-F472 HydrophobicContact CE1-CE2 3.44Å; F446-F472 VanDerWaalsContact CE1-CE2 3.44Å; F446-F472 AromaticContact CE1-CG 3.7Å; F446-F472 HydrophobicContact CE1-CG 3.7Å; F446-F472 AromaticContact CE1-CZ 3.71Å; F446-F472 HydrophobicContact CE1-CZ 3.71Å; F446-F472 HydrophobicContact CE2-CZ 4.4Å; F446-F472 HydrophobicContact CG-CD1 4.16Å; F446-F472 HydrophobicContact CG-CE1 4.07Å; F446-F472 HydrophobicContact CG-CZ 4.46Å; F446-F472 HydrophobicContact CZ-CD2 4.28Å; F446-F472 HydrophobicContact CZ-CE1 4.46Å; F446-F472 AromaticContact CZ-CE2 3.84Å; F446-F472 HydrophobicContact CZ-CE2 3.84Å; F446-F472 AromaticContact CZ-CZ 3.92Å; F446-F472 HydrophobicContact CZ-CZ 3.92Å; F446-L477 HydrophobicContact CB-CD2 4.34Å; F446-E480 HydrophobicContact CE2-CB 3.87Å; F446-E480 HydrophobicContact CZ-CB 4Å; F446-E480 HydrophobicContact CZ-CG 4.24Å
447	I	97.9	Very high	89.3	Confident	4 Å²	4	46 Å²	46	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.5	-176.3	-44.8	177.5	0	0	0	109.8	Q188 Q189 M192 I429 W461 Y462 F464	Q188-I447 HydrophobicContact CB-CD1 3.94Å; Q189-I447 HydrophobicContact CG-CD1 4.25Å; M192-I447 HydrophobicContact CB-CD1 4.44Å; M192-I447 HydrophobicContact CB-CG2 3.64Å; M192-I447 HydrophobicContact CE-CG2 4.31Å; M192-I447 HydrophobicContact CG-CB 4.47Å; M192-I447 HydrophobicContact CG-CD1 3.95Å; M192-I447 HydrophobicContact CG-CG2 3.86Å; I429-I447 WeakPolarHBondContact O-CG2 3.09Å; I447-W461 WeakPolarHBondContact O-CA 3.29Å; I447-Y462 PolarHBondContact N-O 3.45Å; I447-Y462 PolarHBondContact O-N 3.44Å; I447-F464 HydrophobicContact CB-CD2 4.04Å; I447-F464 HydrophobicContact CB-CE2 3.78Å; I447-F464 HydrophobicContact CD1-CD2 3.69Å; I447-F464 HydrophobicContact CD1-CE2 3.89Å; I447-F464 HydrophobicContact CD1-CG 4.17Å; I447-F464 HydrophobicContact CG1-CD2 3.77Å; I447-F464 HydrophobicContact CG1-CE2 3.99Å
448	R	95.4	Very high	89.1	Confident	28 Å²	28	47.1 Å²	47.1	11%	0.106	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.4	174.2	-168.5	175.4	173.5	-168	-2.5	109.4	D427 I429 I450 Y456 N459 W461	D427-R448 IonicContact OD2-NH1 3.7Å; D427-R448 PolarHBondContact OD2-NH1 2.92Å; D427-R448 VanDerWaalsContact OD2-NH1 3.15Å; I429-R448 WeakPolarHBondContact O-CB 3.47Å; I429-R448 PolarHBondContact O-N 3.29Å; R448-I450 HydrophobicContact CB-CG2 4.38Å; R448-I450 HydrophobicContact CG-CG2 4.38Å; R448-I450 PolarHBondContact O-N 3.39Å; R448-I450 VanDerWaalsContact O-N 3.08Å; R448-Y456 VanDerWaalsContact NH2-CE2 3.33Å; R448-Y456 PolarHBondContact NH2-O 3.27Å; R448-N459 PolarHBondContact NE-OD1 3.35Å; R448-W461 HydrophobicContact CB-CD2 3.89Å; R448-W461 HydrophobicContact CB-CE3 4.16Å; R448-W461 HydrophobicContact CB-CG 4.46Å; R448-W461 HydrophobicContact CB-CH2 3.96Å; R448-W461 HydrophobicContact CB-CZ2 3.71Å; R448-W461 HydrophobicContact CB-CZ3 4.2Å; R448-W461 HydrophobicContact CG-CD2 4.4Å; R448-W461 HydrophobicContact CG-CZ2 4.18Å
449	D	91.8	Very high	89.3	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.053	25%	0.252	C	S	.	.			trans	-76.9	101.8	172.1	180	0.7	0	0	0	109.9	F171 V451 N452 A455 Y456 K460 Y462	F171-D449 HydrophobicContact CZ-CB 4.46Å; D449-V451 PolarHBondContact OD1-N 3.11Å; D449-N452 PolarHBondContact OD1-N 3.46Å; D449-N452 VanDerWaalsContact OD2-CB 3.27Å; D449-N452 WeakPolarHBondContact OD2-CB 3.48Å; D449-A455 HydrophobicContact CB-CB 3.81Å; D449-A455 WeakPolarHBondContact OD2-CB 3.19Å; D449-Y456 WeakPolarHBondContact O-CA 3.28Å; D449-Y456 PolarHBondContact O-N 3.38Å; D449-K460 PolarHBondContact N-O 3.2Å; D449-K460 VanDerWaalsContact N-O 3.08Å; D449-Y462 HydrophobicContact CB-CD2 4.25Å; D449-Y462 HydrophobicContact CB-CE2 3.67Å
450	I	89.9	Confident	89.8	Confident	19 Å²	19	48 Å²	48	10%	0.097	24%	0.244	C	C	.	.			trans	-96.7	-2	176.9	64.8	171.6	0	0	0	112.8	I429 R448 Y456 K515	I429-I450 HydrophobicContact CB-CG2 4.15Å; I429-I450 HydrophobicContact CD1-CD1 4.19Å; I429-I450 HydrophobicContact CG2-CD1 4.43Å; I429-I450 HydrophobicContact CG2-CG2 3.67Å; R448-I450 HydrophobicContact CB-CG2 4.38Å; R448-I450 HydrophobicContact CG-CG2 4.38Å; R448-I450 PolarHBondContact O-N 3.39Å; R448-I450 VanDerWaalsContact O-N 3.08Å; I450-Y456 HydrophobicContact CB-CD2 4.22Å; I450-Y456 HydrophobicContact CG2-CD2 3.83Å; I450-Y456 HydrophobicContact CG2-CE2 4Å; I450-K515 HydrophobicContact CD1-CD 3.97Å
451	V	85.6	Confident	90.3	Very high	36 Å²	36	47 Å²	47	22%	0.218	23%	0.233	C	C	.	.	S	Bend	trans	-90.3	-42.5	-178.2	-177.8	0	0	0	0	110	P194 D449 P453 Y527 F529	P194-V451 HydrophobicContact CB-CG2 4.1Å; P194-V451 HydrophobicContact CG-CG2 4.23Å; D449-V451 PolarHBondContact OD1-N 3.11Å; V451-P453 VanDerWaalsContact O-CD 3.32Å; V451-P453 WeakPolarHBondContact O-CD 3.4Å; V451-Y527 HydrophobicContact CG1-CD2 4.42Å; V451-F529 HydrophobicContact CG1-CE2 4.43Å
452	N	82.8	Confident	90.5	Very high	71 Å²	71	47.4 Å²	47.4	38%	0.38	23%	0.228	S	C	.	.	S	Bend	trans	-83.5	115.1	177	-179	-26	0	0	0	110.2	D449 H454 A455 Y456	D449-N452 PolarHBondContact OD1-N 3.46Å; D449-N452 VanDerWaalsContact OD2-CB 3.27Å; D449-N452 WeakPolarHBondContact OD2-CB 3.48Å; N452-H454 PolarHBondContact O-N 3.01Å; N452-H454 WeakPolarHBondContact OD1-CB 3.33Å; N452-H454 PolarHBondContact OD1-N 3.48Å; N452-A455 HydrophobicContact CB-CB 3.69Å; N452-A455 WeakPolarHBondContact O-CB 3.43Å; N452-A455 PolarHBondContact O-N 3.37Å; N452-A455 PolarHBondContact OD1-N 2.96Å; N452-Y456 PolarHBondContact O-N 2.81Å
453	P	81	Confident	90.6	Very high	66 Å²	66	47.3 Å²	47.3	43%	0.429	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-32.4	-177.3	-24.9	35.3	0	0	0	113.7	V451 K457	V451-P453 VanDerWaalsContact O-CD 3.32Å; V451-P453 WeakPolarHBondContact O-CD 3.4Å; P453-K457 WeakPolarHBondContact O-CB 3.39Å; P453-K457 VanDerWaalsContact O-CG 3.26Å; P453-K457 WeakPolarHBondContact O-CG 3.42Å; P453-K457 PolarHBondContact O-N 3.38Å; P453-K457 VanDerWaalsContact O-N 3.12Å
454	H	81.3	Confident	90.7	Very high	142 Å²	142	46.9 Å²	46.9	66%	0.657	23%	0.227	S	C	*	.	H	α-helix	trans	-71.5	-39.4	175.5	-70.9	-75.2	0	0	0	111.7	N452 N458	N452-H454 PolarHBondContact O-N 3.01Å; N452-H454 WeakPolarHBondContact OD1-CB 3.33Å; N452-H454 PolarHBondContact OD1-N 3.48Å; H454-N458 VanDerWaalsContact O-CB 3.31Å; H454-N458 WeakPolarHBondContact O-CB 3.45Å; H454-N458 VanDerWaalsContact O-CG 3.28Å; H454-N458 PolarHBondContact O-N 2.54Å; H454-N458 VanDerWaalsContact O-N 3.1Å; H454-N458 PolarHBondContact O-ND2 2.8Å
455	A	80.8	Confident	90.6	Very high	5 Å²	5	48.4 Å²	48.4	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-43.3	177.4	0	0	0	0	0	111.2	D449 N452 N458 N459 K460	D449-A455 HydrophobicContact CB-CB 3.81Å; D449-A455 WeakPolarHBondContact OD2-CB 3.19Å; N452-A455 HydrophobicContact CB-CB 3.69Å; N452-A455 WeakPolarHBondContact O-CB 3.43Å; N452-A455 PolarHBondContact O-N 3.37Å; N452-A455 PolarHBondContact OD1-N 2.96Å; A455-N458 CarbonylContact O-C 3.55Å; A455-N458 PolarHBondContact O-N 3.25Å; A455-N459 PolarHBondContact O-N 3.18Å; A455-K460 HydrophobicContact CB-CB 3.97Å; A455-K460 HydrophobicContact CB-CG 4.21Å; A455-K460 PolarHBondContact O-N 2.87Å
456	Y	83.1	Confident	90.6	Very high	61 Å²	61	49.6 Å²	49.6	24%	0.239	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-47.3	178	-176	-115.4	0	0	0	112	D427 R448 D449 I450 N452 N458 N459	D427-Y456 PolarHBondContact OD2-OH 3.49Å; R448-Y456 VanDerWaalsContact NH2-CE2 3.33Å; R448-Y456 PolarHBondContact NH2-O 3.27Å; D449-Y456 WeakPolarHBondContact O-CA 3.28Å; D449-Y456 PolarHBondContact O-N 3.38Å; I450-Y456 HydrophobicContact CB-CD2 4.22Å; I450-Y456 HydrophobicContact CG2-CD2 3.83Å; I450-Y456 HydrophobicContact CG2-CE2 4Å; N452-Y456 PolarHBondContact O-N 2.81Å; Y456-N458 VanDerWaalsContact C-N 3.3Å; Y456-N458 PolarHBondContact O-N 3.25Å; Y456-N459 PolarHBondContact O-N 3.47Å
457	K	82.8	Confident	90.5	Very high	173 Å²	173	50.7 Å²	50.7	75%	0.752	25%	0.253	S	S	*	.	H	α-helix	trans	-61.6	-35.8	175.8	-76.3	177.5	-179.3	-179.4	0	113	P453 N459	P453-K457 WeakPolarHBondContact O-CB 3.39Å; P453-K457 VanDerWaalsContact O-CG 3.26Å; P453-K457 WeakPolarHBondContact O-CG 3.42Å; P453-K457 PolarHBondContact O-N 3.38Å; P453-K457 VanDerWaalsContact O-N 3.12Å; K457-N459 VanDerWaalsContact C-N 3.31Å
458	N	85.3	Confident	90.5	Very high	108 Å²	108	54 Å²	54	58%	0.578	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	10.6	180	-67.5	-38.1	0	0	0	113.6	H454 A455 Y456 K460	H454-N458 VanDerWaalsContact O-CB 3.31Å; H454-N458 WeakPolarHBondContact O-CB 3.45Å; H454-N458 VanDerWaalsContact O-CG 3.28Å; H454-N458 PolarHBondContact O-N 2.54Å; H454-N458 VanDerWaalsContact O-N 3.1Å; H454-N458 PolarHBondContact O-ND2 2.8Å; A455-N458 CarbonylContact O-C 3.55Å; A455-N458 PolarHBondContact O-N 3.25Å; Y456-N458 VanDerWaalsContact C-N 3.3Å; Y456-N458 PolarHBondContact O-N 3.25Å; N458-K460 VanDerWaalsContact C-N 3.34Å; N458-K460 HydrophobicContact CB-CG 4.17Å; N458-K460 PolarHBondContact O-N 3.42Å
459	N	88.8	Confident	90.5	Very high	43 Å²	43	53 Å²	53	23%	0.23	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	52	-178.5	-164.4	38.7	0	0	0	112.9	R448 A455 Y456 K457 W461 S474	R448-N459 PolarHBondContact NE-OD1 3.35Å; A455-N459 PolarHBondContact O-N 3.18Å; Y456-N459 PolarHBondContact O-N 3.47Å; K457-N459 VanDerWaalsContact C-N 3.31Å; N459-W461 VanDerWaalsContact O-CD1 3.28Å; N459-W461 PolarHBondContact OD1-NE1 3.46Å; N459-S474 VanDerWaalsContact ND2-CB 3.34Å; N459-S474 WeakPolarHBondContact ND2-CB 3.49Å; N459-S474 PolarHBondContact ND2-OG 3.16Å
460	K	92.9	Very high	90.7	Very high	110 Å²	110	57.7 Å²	57.7	48%	0.478	29%	0.285	S	S	.	.			trans	-82.9	126.7	179.4	-66.4	-66.4	-176.2	179.6	0	111.4	D449 A455 N458 Y462	D449-K460 PolarHBondContact N-O 3.2Å; D449-K460 VanDerWaalsContact N-O 3.08Å; A455-K460 HydrophobicContact CB-CB 3.97Å; A455-K460 HydrophobicContact CB-CG 4.21Å; A455-K460 PolarHBondContact O-N 2.87Å; N458-K460 VanDerWaalsContact C-N 3.34Å; N458-K460 HydrophobicContact CB-CG 4.17Å; N458-K460 PolarHBondContact O-N 3.42Å; K460-Y462 HydrophobicContact CB-CE2 4.23Å
461	W	96.4	Very high	91	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.011	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	155	178.7	-71.8	72.5	0	0	0	110.5	L389 L428 F446 I447 R448 N459 F472 S474 L477	L389-W461 HydrophobicContact CD2-CZ2 4.44Å; L428-W461 HydrophobicContact CD2-CH2 4.08Å; L428-W461 HydrophobicContact CG-CH2 3.94Å; F446-W461 HydrophobicContact CB-CE3 4.08Å; F446-W461 HydrophobicContact CB-CZ3 4.34Å; I447-W461 WeakPolarHBondContact O-CA 3.29Å; R448-W461 HydrophobicContact CB-CD2 3.89Å; R448-W461 HydrophobicContact CB-CE3 4.16Å; R448-W461 HydrophobicContact CB-CG 4.46Å; R448-W461 HydrophobicContact CB-CH2 3.96Å; R448-W461 HydrophobicContact CB-CZ2 3.71Å; R448-W461 HydrophobicContact CB-CZ3 4.2Å; R448-W461 HydrophobicContact CG-CD2 4.4Å; R448-W461 HydrophobicContact CG-CZ2 4.18Å; N459-W461 VanDerWaalsContact O-CD1 3.28Å; N459-W461 PolarHBondContact OD1-NE1 3.46Å; W461-F472 HydrophobicContact CB-CB 4.21Å; W461-F472 HydrophobicContact CB-CD1 3.92Å; W461-F472 PolarHBondContact O-N 3.13Å; W461-S474 VanDerWaalsContact CD1-CB 3.5Å; W461-L477 HydrophobicContact CD2-CD1 4.44Å; W461-L477 HydrophobicContact CE3-CD2 4.45Å; W461-L477 HydrophobicContact CH2-CD1 4.35Å; W461-L477 HydrophobicContact CZ2-CD1 4.09Å; W461-L477 HydrophobicContact CZ3-CD2 4.43Å
462	Y	97.3	Very high	91.5	Very high	32 Å²	32	61.2 Å²	61.2	13%	0.125	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.8	177.6	-55.5	-89	0	0	0	109.7	C169 F171 F446 I447 D449 K460 K470 P471	C169-Y462 HydrophobicContact CB-CD1 3.75Å; C169-Y462 HydrophobicContact CB-CE1 3.56Å; F171-Y462 HydrophobicContact CD2-CD1 4.07Å; F171-Y462 HydrophobicContact CD2-CD2 4.24Å; F171-Y462 HydrophobicContact CD2-CE1 4.3Å; F171-Y462 HydrophobicContact CD2-CE2 4.46Å; F171-Y462 HydrophobicContact CD2-CG 4.04Å; F171-Y462 HydrophobicContact CE2-CD1 4.1Å; F171-Y462 AromaticContact CE2-CD2 3.65Å; F171-Y462 HydrophobicContact CE2-CD2 3.65Å; F171-Y462 HydrophobicContact CE2-CE1 4.03Å; F171-Y462 AromaticContact CE2-CE2 3.57Å; F171-Y462 HydrophobicContact CE2-CE2 3.57Å; F171-Y462 AromaticContact CE2-CG 3.91Å; F171-Y462 HydrophobicContact CE2-CG 3.91Å; F171-Y462 AromaticContact CE2-CZ 3.75Å; F171-Y462 HydrophobicContact CZ-CD2 4.44Å; F171-Y462 HydrophobicContact CZ-CE2 4.32Å; F446-Y462 WeakPolarHBondContact CA-O 3.27Å; I447-Y462 PolarHBondContact N-O 3.45Å; I447-Y462 PolarHBondContact O-N 3.44Å; D449-Y462 HydrophobicContact CB-CD2 4.25Å; D449-Y462 HydrophobicContact CB-CE2 3.67Å; K460-Y462 HydrophobicContact CB-CE2 4.23Å; Y462-K470 CarbonylContact C-O 3.48Å; Y462-K470 VanDerWaalsContact CA-O 3.26Å; Y462-K470 WeakPolarHBondContact CA-O 3.47Å; Y462-P471 HydrophobicContact CD1-CB 4.41Å; Y462-P471 HydrophobicContact CD1-CG 4.47Å; Y462-P471 HydrophobicContact CE1-CB 4.44Å; Y462-P471 HydrophobicContact CE1-CG 4.4Å
463	L	98	Very high	92	Very high	41 Å²	41	62.2 Å²	62.2	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.8	168.8	168.6	62.6	0	0	0	108.3	Y444 F446 N465 V469 K470 F472	Y444-L463 HydrophobicContact CD2-CD1 3.51Å; Y444-L463 HydrophobicContact CE2-CD1 4.17Å; Y444-L463 HydrophobicContact CG-CD1 4.31Å; F446-L463 HydrophobicContact CD1-CB 4.02Å; F446-L463 HydrophobicContact CD1-CD1 3.97Å; F446-L463 HydrophobicContact CE1-CB 3.91Å; F446-L463 HydrophobicContact CE1-CD1 3.57Å; F446-L463 HydrophobicContact CE1-CG 4.19Å; F446-L463 HydrophobicContact CZ-CD1 4.14Å; L463-N465 HydrophobicContact CD1-CB 4.23Å; L463-N465 HydrophobicContact CG-CB 4.29Å; L463-V469 VanDerWaalsContact O-CA 3.27Å; L463-V469 WeakPolarHBondContact O-CA 3.32Å; L463-V469 WeakPolarHBondContact O-CG1 3.39Å; L463-K470 PolarHBondContact N-O 3.26Å; L463-K470 PolarHBondContact O-N 3.49Å; L463-F472 HydrophobicContact CB-CB 4.41Å
464	F	98.3	Very high	92.6	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	105.5	170.6	-67.1	-100.6	0	0	0	108.1	F171 Q188 M192 Y444 S445 I447 V469	F171-F464 HydrophobicContact CB-CE1 3.99Å; F171-F464 HydrophobicContact CB-CZ 4.17Å; F171-F464 HydrophobicContact CD1-CE1 4.47Å; F171-F464 HydrophobicContact CD1-CZ 4.17Å; F171-F464 HydrophobicContact CD2-CZ 4.33Å; F171-F464 HydrophobicContact CG-CE1 4.24Å; F171-F464 AromaticContact CG-CZ 3.96Å; F171-F464 HydrophobicContact CG-CZ 3.96Å; Q188-F464 HydrophobicContact CB-CB 4.46Å; Q188-F464 HydrophobicContact CB-CD1 4.14Å; Q188-F464 HydrophobicContact CB-CG 4.37Å; Q188-F464 HydrophobicContact CG-CB 4.42Å; Q188-F464 HydrophobicContact CG-CD1 3.91Å; Q188-F464 HydrophobicContact CG-CG 4.45Å; M192-F464 HydrophobicContact CE-CZ 4.25Å; M192-F464 HydrophobicContact CG-CZ 4.27Å; M192-F464 HydrophobicContact SD-CZ 4.09Å; Y444-F464 WeakPolarHBondContact CB-O 3.36Å; S445-F464 PolarHBondContact N-O 2.89Å; S445-F464 PolarHBondContact O-N 3.37Å; I447-F464 HydrophobicContact CB-CD2 4.04Å; I447-F464 HydrophobicContact CB-CE2 3.78Å; I447-F464 HydrophobicContact CD1-CD2 3.69Å; I447-F464 HydrophobicContact CD1-CE2 3.89Å; I447-F464 HydrophobicContact CD1-CG 4.17Å; I447-F464 HydrophobicContact CG1-CD2 3.77Å; I447-F464 HydrophobicContact CG1-CE2 3.99Å; F464-V469 HydrophobicContact CD1-CB 4.46Å; F464-V469 HydrophobicContact CD1-CG1 3.79Å; F464-V469 HydrophobicContact CD1-CG2 3.77Å; F464-V469 HydrophobicContact CD2-CG1 4.38Å; F464-V469 HydrophobicContact CE1-CG1 3.71Å; F464-V469 HydrophobicContact CE1-CG2 4.14Å; F464-V469 HydrophobicContact CE2-CG1 4.3Å; F464-V469 HydrophobicContact CG-CG1 4.14Å; F464-V469 HydrophobicContact CZ-CG1 3.98Å
465	N	97.8	Very high	93.1	Very high	57 Å²	57	57.4 Å²	57.4	31%	0.305	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	88.7	178.7	-175.5	13	0	0	0	108.9	H442 L463 A467 E468	H442-N465 PolarHBondContact NE2-OD1 2.81Å; L463-N465 HydrophobicContact CD1-CB 4.23Å; L463-N465 HydrophobicContact CG-CB 4.29Å; N465-A467 PolarHBondContact O-N 2.93Å; N465-E468 PolarHBondContact N-O 3.35Å; N465-E468 WeakPolarHBondContact O-CB 3.41Å; N465-E468 PolarHBondContact O-N 3.2Å
466	D	97.6	Very high	93.7	Very high	24 Å²	24	61.5 Å²	61.5	13%	0.128	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-119.2	-173.6	-58	-25.6	0	0	0	111.5	G173 L174 N176 H442 E468	G173-D466 CarbonylContact C-O 3.56Å; G173-D466 WeakPolarHBondContact CA-O 3.24Å; L174-D466 PolarHBondContact N-O 3.36Å; L174-D466 CarbonylContact O-C 3.4Å; L174-D466 WeakPolarHBondContact O-CA 3.18Å; L174-D466 WeakPolarHBondContact O-CB 3.15Å; N176-D466 HydrophobicContact CB-CB 4.06Å; N176-D466 VanDerWaalsContact CB-OD2 3.32Å; N176-D466 WeakPolarHBondContact CB-OD2 3.31Å; N176-D466 PolarHBondContact ND2-OD2 3.49Å; H442-D466 IonicContact CE1-OD1 2.7Å; H442-D466 IonicContact CE1-OD2 3.31Å; H442-D466 PolarHBondContact CE1-OD2 3.26Å; H442-D466 IonicContact NE2-OD2 3.14Å; D466-E468 PolarHBondContact O-N 3.06Å
467	A	96.5	Very high	94.3	Very high	27 Å²	27	59 Å²	59	22%	0.223	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.4	-179.6	0	0	0	0	0	113.4	L174 K231 A232 N465	L174-A467 PolarHBondContact O-N 3.32Å; K231-A467 WeakPolarHBondContact CE-O 3.39Å; K231-A467 WeakPolarHBondContact CG-O 3.29Å; A232-A467 HydrophobicContact CB-CB 3.56Å; N465-A467 PolarHBondContact O-N 2.93Å
468	E	96.4	Very high	94.7	Very high	74 Å²	74	53 Å²	53	35%	0.346	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.4	-175.7	-69.4	-75.7	156.7	0	0	111.1	K231 N465 D466 K470	K231-E468 WeakPolarHBondContact CE-OE1 3.28Å; K231-E468 IonicContact NZ-OE1 3.99Å; K231-E468 PolarHBondContact NZ-OE1 2.86Å; N465-E468 PolarHBondContact N-O 3.35Å; N465-E468 WeakPolarHBondContact O-CB 3.41Å; N465-E468 PolarHBondContact O-N 3.2Å; D466-E468 PolarHBondContact O-N 3.06Å; E468-K470 WeakPolarHBondContact OE2-CE 3.33Å; E468-K470 IonicContact OE2-NZ 3.11Å; E468-K470 PolarHBondContact OE2-NZ 3.37Å
469	V	96.8	Very high	95	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	172.7	-165.9	0	0	0	0	110.7	A167 F171 L463 F464	A167-V469 WeakPolarHBondContact CB-O 3.38Å; F171-V469 HydrophobicContact CB-CB 4.2Å; F171-V469 HydrophobicContact CB-CG1 3.63Å; F171-V469 HydrophobicContact CB-CG2 4.44Å; F171-V469 HydrophobicContact CG-CG1 4.44Å; L463-V469 VanDerWaalsContact O-CA 3.27Å; L463-V469 WeakPolarHBondContact O-CA 3.32Å; L463-V469 WeakPolarHBondContact O-CG1 3.39Å; F464-V469 HydrophobicContact CD1-CB 4.46Å; F464-V469 HydrophobicContact CD1-CG1 3.79Å; F464-V469 HydrophobicContact CD1-CG2 3.77Å; F464-V469 HydrophobicContact CD2-CG1 4.38Å; F464-V469 HydrophobicContact CE1-CG1 3.71Å; F464-V469 HydrophobicContact CE1-CG2 4.14Å; F464-V469 HydrophobicContact CE2-CG1 4.3Å; F464-V469 HydrophobicContact CG-CG1 4.14Å; F464-V469 HydrophobicContact CZ-CG1 3.98Å
470	K	95.6	Very high	95.3	Very high	108 Å²	108	51 Å²	51	47%	0.47	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147	-173.3	-65.4	178.4	-176.8	165	0	111.5	Y462 L463 E468	Y462-K470 CarbonylContact C-O 3.48Å; Y462-K470 VanDerWaalsContact CA-O 3.26Å; Y462-K470 WeakPolarHBondContact CA-O 3.47Å; L463-K470 PolarHBondContact N-O 3.26Å; L463-K470 PolarHBondContact O-N 3.49Å; E468-K470 WeakPolarHBondContact OE2-CE 3.33Å; E468-K470 IonicContact OE2-NZ 3.11Å; E468-K470 PolarHBondContact OE2-NZ 3.37Å
471	P	95.3	Very high	95.4	Very high	102 Å²	102	45.8 Å²	45.8	66%	0.662	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	141.5	167.4	-22.5	33.5	0	0	0	111.3	C169 Y462	C169-P471 HydrophobicContact CB-CG 4.31Å; Y462-P471 HydrophobicContact CD1-CB 4.41Å; Y462-P471 HydrophobicContact CD1-CG 4.47Å; Y462-P471 HydrophobicContact CE1-CB 4.44Å; Y462-P471 HydrophobicContact CE1-CG 4.4Å
472	F	95.9	Very high	95.4	Very high	27 Å²	27	47.1 Å²	47.1	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140	179.8	178.4	-110.1	0	0	0	110.7	F446 W461 L463 Q476 L477 E480	F446-F472 HydrophobicContact CB-CD1 4.47Å; F446-F472 HydrophobicContact CD1-CB 4.21Å; F446-F472 AromaticContact CD1-CD1 3.56Å; F446-F472 HydrophobicContact CD1-CD1 3.56Å; F446-F472 AromaticContact CD1-CD2 3.86Å; F446-F472 HydrophobicContact CD1-CD2 3.86Å; F446-F472 AromaticContact CD1-CE1 3.76Å; F446-F472 HydrophobicContact CD1-CE1 3.76Å; F446-F472 HydrophobicContact CD1-CE2 4.06Å; F446-F472 AromaticContact CD1-CG 3.59Å; F446-F472 HydrophobicContact CD1-CG 3.59Å; F446-F472 HydrophobicContact CD1-CZ 4Å; F446-F472 HydrophobicContact CE1-CB 4.49Å; F446-F472 AromaticContact CE1-CD1 3.98Å; F446-F472 HydrophobicContact CE1-CD1 3.98Å; F446-F472 AromaticContact CE1-CD2 3.43Å; F446-F472 HydrophobicContact CE1-CD2 3.43Å; F446-F472 VanDerWaalsContact CE1-CD2 3.43Å; F446-F472 AromaticContact CE1-CE1 3.96Å; F446-F472 HydrophobicContact CE1-CE1 3.96Å; F446-F472 AromaticContact CE1-CE2 3.44Å; F446-F472 HydrophobicContact CE1-CE2 3.44Å; F446-F472 VanDerWaalsContact CE1-CE2 3.44Å; F446-F472 AromaticContact CE1-CG 3.7Å; F446-F472 HydrophobicContact CE1-CG 3.7Å; F446-F472 AromaticContact CE1-CZ 3.71Å; F446-F472 HydrophobicContact CE1-CZ 3.71Å; F446-F472 HydrophobicContact CE2-CZ 4.4Å; F446-F472 HydrophobicContact CG-CD1 4.16Å; F446-F472 HydrophobicContact CG-CE1 4.07Å; F446-F472 HydrophobicContact CG-CZ 4.46Å; F446-F472 HydrophobicContact CZ-CD2 4.28Å; F446-F472 HydrophobicContact CZ-CE1 4.46Å; F446-F472 AromaticContact CZ-CE2 3.84Å; F446-F472 HydrophobicContact CZ-CE2 3.84Å; F446-F472 AromaticContact CZ-CZ 3.92Å; F446-F472 HydrophobicContact CZ-CZ 3.92Å; W461-F472 HydrophobicContact CB-CB 4.21Å; W461-F472 HydrophobicContact CB-CD1 3.92Å; W461-F472 PolarHBondContact O-N 3.13Å; L463-F472 HydrophobicContact CB-CB 4.41Å; F472-Q476 HydrophobicContact CE2-CB 3.84Å; F472-Q476 HydrophobicContact CZ-CB 3.67Å; F472-L477 HydrophobicContact CE1-CD2 3.76Å; F472-L477 HydrophobicContact CE1-CG 3.87Å; F472-E480 HydrophobicContact CE2-CG 4.09Å; F472-E480 HydrophobicContact CZ-CB 4.44Å; F472-E480 HydrophobicContact CZ-CG 4.07Å
473	D	94.4	Very high	95.2	Very high	91 Å²	91	45.7 Å²	45.7	49%	0.487	26%	0.263	S	S	.	.			trans	-86.8	115	175.8	-177	4.4	0	0	0	110.4	A475 Q476	D473-A475 PolarHBondContact O-N 3.46Å; D473-A475 PolarHBondContact OD1-N 2.75Å; D473-Q476 HydrophobicContact CB-CG 4.38Å; D473-Q476 WeakPolarHBondContact O-CB 3.46Å; D473-Q476 PolarHBondContact O-N 3.38Å
474	S	92.4	Very high	94.8	Very high	31 Å²	31	44.2 Å²	44.2	22%	0.217	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.6	-23.6	178	65.1	0	0	0	0	114.6	N459 W461 Q476 L477	N459-S474 VanDerWaalsContact ND2-CB 3.34Å; N459-S474 WeakPolarHBondContact ND2-CB 3.49Å; N459-S474 PolarHBondContact ND2-OG 3.16Å; W461-S474 VanDerWaalsContact CD1-CB 3.5Å; S474-Q476 PolarHBondContact O-N 3.3Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 WeakPolarHBondContact O-CG 3.42Å; S474-L477 PolarHBondContact O-N 3.25Å
475	A	93	Very high	94.3	Very high	77 Å²	77	50.8 Å²	50.8	64%	0.636	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.1	-21.5	175.5	0	0	0	0	0	112.8	D473	D473-A475 PolarHBondContact O-N 3.46Å; D473-A475 PolarHBondContact OD1-N 2.75Å
476	Q	93.9	Very high	93.6	Very high	90 Å²	90	52.9 Å²	52.9	42%	0.421	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-88.7	-3.3	179.6	-60.1	-179.8	-3.5	0	0	113.2	F472 D473 S474 A478 S479 E480	F472-Q476 HydrophobicContact CE2-CB 3.84Å; F472-Q476 HydrophobicContact CZ-CB 3.67Å; D473-Q476 HydrophobicContact CB-CG 4.38Å; D473-Q476 WeakPolarHBondContact O-CB 3.46Å; D473-Q476 PolarHBondContact O-N 3.38Å; S474-Q476 PolarHBondContact O-N 3.3Å; Q476-A478 VanDerWaalsContact C-N 3.26Å; Q476-A478 PolarHBondContact O-N 3.1Å; Q476-S479 PolarHBondContact O-N 3.24Å; Q476-S479 VanDerWaalsContact O-N 3.08Å; Q476-S479 PolarHBondContact O-OG 3.19Å; Q476-E480 HydrophobicContact CB-CG 4.33Å; Q476-E480 WeakPolarHBondContact O-CB 3.39Å; Q476-E480 WeakPolarHBondContact O-CG 3.43Å; Q476-E480 PolarHBondContact O-N 2.94Å
477	L	94	Very high	92.7	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-55	-40.9	178.9	-78.8	169	0	0	0	112.5	L389 V431 F446 W461 F472 S474 S479 E480 C481	L389-L477 HydrophobicContact CD2-CD1 3.75Å; V431-L477 HydrophobicContact CG2-CD2 4.4Å; F446-L477 HydrophobicContact CB-CD2 4.34Å; W461-L477 HydrophobicContact CD2-CD1 4.44Å; W461-L477 HydrophobicContact CE3-CD2 4.45Å; W461-L477 HydrophobicContact CH2-CD1 4.35Å; W461-L477 HydrophobicContact CZ2-CD1 4.09Å; W461-L477 HydrophobicContact CZ3-CD2 4.43Å; F472-L477 HydrophobicContact CE1-CD2 3.76Å; F472-L477 HydrophobicContact CE1-CG 3.87Å; S474-L477 WeakPolarHBondContact O-CB 3.35Å; S474-L477 WeakPolarHBondContact O-CG 3.42Å; S474-L477 PolarHBondContact O-N 3.25Å; L477-S479 PolarHBondContact O-N 3.2Å; L477-E480 PolarHBondContact O-N 3.31Å; L477-C481 WeakPolarHBondContact O-CA 3.24Å; L477-C481 WeakPolarHBondContact O-CB 3.41Å; L477-C481 PolarHBondContact O-N 2.88Å; L477-C481 PolarHBondContact O-SG 3.09Å
478	A	92.3	Very high	91.7	Very high	47 Å²	47	58.2 Å²	58.2	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-40.2	179.3	0	0	0	0	0	112.1	Q476 F482	Q476-A478 VanDerWaalsContact C-N 3.26Å; Q476-A478 PolarHBondContact O-N 3.1Å; A478-F482 HydrophobicContact CB-CD2 3.82Å; A478-F482 HydrophobicContact CB-CE2 3.61Å; A478-F482 HydrophobicContact CB-CG 4.43Å; A478-F482 HydrophobicContact CB-CZ 4.06Å; A478-F482 WeakPolarHBondContact O-CB 3.24Å; A478-F482 PolarHBondContact O-N 2.96Å
479	S	91.7	Very high	90.8	Very high	51 Å²	51	61.7 Å²	61.7	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-70.4	-40.2	179.1	54.4	0	0	0	0	112	Q476 L477 K505	Q476-S479 PolarHBondContact O-N 3.24Å; Q476-S479 VanDerWaalsContact O-N 3.08Å; Q476-S479 PolarHBondContact O-OG 3.19Å; L477-S479 PolarHBondContact O-N 3.2Å; S479-K505 PolarHBondContact O-NZ 2.99Å
480	E	94	Very high	89.9	Confident	58 Å²	58	64.6 Å²	64.6	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-87.5	-17.7	-173.9	-62.6	-58.1	135.7	0	0	114.2	F446 F472 Q476 L477 H507	F446-E480 HydrophobicContact CE2-CB 3.87Å; F446-E480 HydrophobicContact CZ-CB 4Å; F446-E480 HydrophobicContact CZ-CG 4.24Å; F472-E480 HydrophobicContact CE2-CG 4.09Å; F472-E480 HydrophobicContact CZ-CB 4.44Å; F472-E480 HydrophobicContact CZ-CG 4.07Å; Q476-E480 HydrophobicContact CB-CG 4.33Å; Q476-E480 WeakPolarHBondContact O-CB 3.39Å; Q476-E480 WeakPolarHBondContact O-CG 3.43Å; Q476-E480 PolarHBondContact O-N 2.94Å; L477-E480 PolarHBondContact O-N 3.31Å; E480-H507 PolarHBondContact O-CD2 3.05Å; E480-H507 VanDerWaalsContact O-CD2 3.28Å
481	C	96	Very high	89	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-125	-21.3	-169	-53.5	0	0	0	0	115.2	F387 V431 V433 L477 G483 A509	F387-C481 HydrophobicContact CE1-CB 4.2Å; F387-C481 HydrophobicContact CZ-CB 3.62Å; V431-C481 HydrophobicContact CG1-CB 4.05Å; V433-C481 HydrophobicContact CG2-CB 4.41Å; L477-C481 WeakPolarHBondContact O-CA 3.24Å; L477-C481 WeakPolarHBondContact O-CB 3.41Å; L477-C481 PolarHBondContact O-N 2.88Å; L477-C481 PolarHBondContact O-SG 3.09Å; C481-G483 PolarHBondContact O-N 3.43Å; C481-A509 HydrophobicContact CB-CB 4.17Å; C481-A509 WeakPolarHBondContact O-CB 3.4Å; C481-A509 PolarHBondContact O-N 3.14Å
482	F	95.5	Very high	88.2	Confident	30 Å²	30	61.9 Å²	61.9	13%	0.132	34%	0.337	C	S	.	.	S	Bend	trans	-79.8	-19.8	-173.5	-67.5	-0.9	0	0	0	113.5	R368 H384 F385 S386 F387 A478	R368-F482 PolarHBondContact NH2-O 2.89Å; R368-F482 VanDerWaalsContact NH2-O 3.12Å; H384-F482 WeakPolarHBondContact CA-O 3.38Å; H384-F482 AromaticContact NE2-CD2 3.6Å; F385-F482 PolarHBondContact N-O 2.84Å; F385-F482 WeakPolarHBondContact O-CA 3.34Å; S386-F482 VanDerWaalsContact CB-CE2 3.45Å; F387-F482 AromaticContact CD1-CD1 3.94Å; F387-F482 HydrophobicContact CD1-CD1 3.94Å; F387-F482 AromaticContact CD1-CE1 3.8Å; F387-F482 HydrophobicContact CD1-CE1 3.8Å; F387-F482 HydrophobicContact CD2-CE1 4.02Å; F387-F482 AromaticContact CE1-CD1 3.54Å; F387-F482 HydrophobicContact CE1-CD1 3.54Å; F387-F482 AromaticContact CE1-CE1 3.64Å; F387-F482 HydrophobicContact CE1-CE1 3.64Å; F387-F482 HydrophobicContact CE2-CD1 4.49Å; F387-F482 AromaticContact CE2-CE1 3.86Å; F387-F482 HydrophobicContact CE2-CE1 3.86Å; F387-F482 AromaticContact CG-CE1 4Å; F387-F482 HydrophobicContact CG-CE1 4Å; F387-F482 AromaticContact CZ-CD1 3.86Å; F387-F482 HydrophobicContact CZ-CD1 3.86Å; F387-F482 AromaticContact CZ-CE1 3.68Å; F387-F482 HydrophobicContact CZ-CE1 3.68Å; F387-F482 WeakPolarHBondContact O-CZ 3.39Å; A478-F482 HydrophobicContact CB-CD2 3.82Å; A478-F482 HydrophobicContact CB-CE2 3.61Å; A478-F482 HydrophobicContact CB-CG 4.43Å; A478-F482 HydrophobicContact CB-CZ 4.06Å; A478-F482 WeakPolarHBondContact O-CB 3.24Å; A478-F482 PolarHBondContact O-N 2.96Å
483	G	92.9	Very high	87.2	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.021	37%	0.365	C	S	.	.			trans	75.5	-150.5	-169	0	0	0	0	0	111.8	C481	C481-G483 PolarHBondContact O-N 3.43Å
484	G	91.1	Very high	86.6	Confident	10 Å²	10	67.1 Å²	67.1	10%	0.103	38%	0.379	C	S	.	.			trans	87.7	-162.2	-176.5	0	0	0	0	0	113.1	N382 K505	N382-G484 WeakPolarHBondContact O-CA 3.13Å; N382-G484 PolarHBondContact O-N 2.98Å; G484-K505 WeakPolarHBondContact O-CB 3.3Å; G484-K505 WeakPolarHBondContact O-CG 3.36Å; G484-K505 PolarHBondContact O-N 2.75Å
485	E	87.7	Confident	86	Confident	143 Å²	143	69 Å²	69	67%	0.668	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	149.1	178.7	-64.7	-178.4	-168.2	0	0	111.8	S502 F503	E485-S502 WeakPolarHBondContact CB-OG 3.45Å; E485-S502 PolarHBondContact OE2-OG 2.97Å; E485-F503 CarbonylContact C-O 3.05Å; E485-F503 WeakPolarHBondContact CA-O 3.11Å
486	M	81.8	Confident	85.2	Confident	100 Å²	100	70.9 Å²	70.9	49%	0.493	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.3	170.9	-171.6	167.7	80.9	0	0	109	S502 F503 K505	M486-S502 WeakPolarHBondContact O-CA 3.28Å; M486-F503 PolarHBondContact N-O 3.39Å; M486-F503 PolarHBondContact O-N 3.33Å; M486-K505 HydrophobicContact CB-CG 4.03Å
487	T	79.3	Confident	84.6	Confident	101 Å²	101	73.4 Å²	73.4	62%	0.62	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	125	177.9	48	0	0	0	0	110.5	F501	T487-F501 CarbonylContact C-O 3.58Å; T487-F501 WeakPolarHBondContact CA-O 3.08Å
488	T	75.8	Confident	83.8	Confident	62 Å²	62	79.5 Å²	79.5	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.3	178	-30.4	0	0	0	0	109.4	F501	T488-F501 PolarHBondContact N-O 2.7Å; T488-F501 PolarHBondContact O-N 3.35Å
489	K	78.6	Confident	82.9	Confident	147 Å²	147	80.9 Å²	80.9	64%	0.639	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	110.4	176.2	-55.4	-148	172.5	-169.7	0	109.8	F498 M499 D500	K489-F498 HydrophobicContact CB-CD1 4.39Å; K489-M499 WeakPolarHBondContact CA-O 3.18Å; K489-D500 VanDerWaalsContact CD-OD1 3.22Å; K489-D500 WeakPolarHBondContact CD-OD1 3.48Å; K489-D500 WeakPolarHBondContact CE-OD1 3.43Å; K489-D500 WeakPolarHBondContact CG-OD1 3.43Å; K489-D500 IonicContact NZ-OD1 2.8Å
490	T	75.9	Confident	82.2	Confident	69 Å²	69	83.4 Å²	83.4	42%	0.423	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.4	177.3	-30	0	0	0	0	108.8	D492 F498 M499 F501	T490-D492 PolarHBondContact O-N 3.26Å; T490-F498 WeakPolarHBondContact O-CA 3.47Å; T490-M499 PolarHBondContact N-O 3.4Å; T490-M499 PolarHBondContact O-N 2.85Å; T490-F501 VanDerWaalsContact OG1-CD2 3.25Å; T490-F501 WeakPolarHBondContact OG1-CD2 3.49Å
491	Y	77.9	Confident	81.4	Confident	119 Å²	119	84.7 Å²	84.7	47%	0.467	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.3	174.9	179.2	-103.6	0	0	0	109.4	D496 F498	Y491-D496 PolarHBondContact OH-OD1 3.12Å; Y491-F498 HydrophobicContact CD2-CD1 4.39Å; Y491-F498 HydrophobicContact CD2-CD2 4.14Å; Y491-F498 HydrophobicContact CD2-CE1 4.12Å; Y491-F498 AromaticContact CD2-CE2 3.84Å; Y491-F498 HydrophobicContact CD2-CE2 3.84Å; Y491-F498 HydrophobicContact CD2-CG 4.41Å; Y491-F498 AromaticContact CD2-CZ 3.83Å; Y491-F498 HydrophobicContact CD2-CZ 3.83Å; Y491-F498 HydrophobicContact CE2-CE2 4.45Å; Y491-F498 HydrophobicContact CG-CE1 4.36Å; Y491-F498 HydrophobicContact CG-CZ 4.38Å
492	D	77.9	Confident	80.6	Confident	35 Å²	35	87.3 Å²	87.3	19%	0.187	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.9	175	176.1	14.6	0	0	0	110.1	T490 V494 T495 D496 K497 M499	T490-D492 PolarHBondContact O-N 3.26Å; D492-V494 PolarHBondContact O-N 2.9Å; D492-V494 WeakPolarHBondContact OD1-CB 3.36Å; D492-V494 PolarHBondContact OD1-N 3.29Å; D492-T495 WeakPolarHBondContact CB-OG1 3.11Å; D492-T495 VanDerWaalsContact CG-OG1 3.27Å; D492-T495 PolarHBondContact O-N 3.17Å; D492-T495 WeakPolarHBondContact OD2-CB 3.36Å; D492-T495 VanDerWaalsContact OD2-CG2 3.27Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.46Å; D492-T495 PolarHBondContact OD2-OG1 3.17Å; D492-D496 WeakPolarHBondContact O-CA 3.31Å; D492-D496 PolarHBondContact O-N 3.11Å; D492-K497 PolarHBondContact N-O 3.21Å; D492-M499 HydrophobicContact CB-CE 3.63Å; D492-M499 HydrophobicContact CB-CG 4.39Å
493	S	76.3	Confident	80	Confident	100 Å²	100	91.5 Å²	91.5	70%	0.699	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.2	177.5	58.9	0	0	0	0	114.4
494	V	80.7	Confident	79.6	Confident	128 Å²	128	96.6 Å²	96.6	78%	0.776	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-38.7	179.3	-177.2	0	0	0	0	111.1	D492	D492-V494 PolarHBondContact O-N 2.9Å; D492-V494 WeakPolarHBondContact OD1-CB 3.36Å; D492-V494 PolarHBondContact OD1-N 3.29Å
495	T	81	Confident	79.5	Confident	71 Å²	71	97.5 Å²	97.5	44%	0.436	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-3.5	-177.1	59.2	0	0	0	0	114	D492 K497	D492-T495 WeakPolarHBondContact CB-OG1 3.11Å; D492-T495 VanDerWaalsContact CG-OG1 3.27Å; D492-T495 PolarHBondContact O-N 3.17Å; D492-T495 WeakPolarHBondContact OD2-CB 3.36Å; D492-T495 VanDerWaalsContact OD2-CG2 3.27Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.46Å; D492-T495 PolarHBondContact OD2-OG1 3.17Å; T495-K497 WeakPolarHBondContact O-CG 3.37Å; T495-K497 PolarHBondContact O-N 2.98Å
496	D	74.8	Confident	79.6	Confident	115 Å²	115	94.3 Å²	94.3	62%	0.615	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39	-177.1	-162.2	16.9	0	0	0	112.1	Y491 D492	Y491-D496 PolarHBondContact OH-OD1 3.12Å; D492-D496 WeakPolarHBondContact O-CA 3.31Å; D492-D496 PolarHBondContact O-N 3.11Å
497	K	81.5	Confident	80.2	Confident	143 Å²	143	91.1 Å²	91.1	62%	0.622	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.8	-176.6	-74.2	179.3	-175.2	179.2	0	111	D492 T495	D492-K497 PolarHBondContact N-O 3.21Å; T495-K497 WeakPolarHBondContact O-CG 3.37Å; T495-K497 PolarHBondContact O-N 2.98Å
498	F	76.4	Confident	81	Confident	139 Å²	139	86.4 Å²	86.4	61%	0.61	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.5	165.9	-69.6	-89.4	0	0	0	108.7	K489 T490 Y491	K489-F498 HydrophobicContact CB-CD1 4.39Å; T490-F498 WeakPolarHBondContact O-CA 3.47Å; Y491-F498 HydrophobicContact CD2-CD1 4.39Å; Y491-F498 HydrophobicContact CD2-CD2 4.14Å; Y491-F498 HydrophobicContact CD2-CE1 4.12Å; Y491-F498 AromaticContact CD2-CE2 3.84Å; Y491-F498 HydrophobicContact CD2-CE2 3.84Å; Y491-F498 HydrophobicContact CD2-CG 4.41Å; Y491-F498 AromaticContact CD2-CZ 3.83Å; Y491-F498 HydrophobicContact CD2-CZ 3.83Å; Y491-F498 HydrophobicContact CE2-CE2 4.45Å; Y491-F498 HydrophobicContact CG-CE1 4.36Å; Y491-F498 HydrophobicContact CG-CZ 4.38Å
499	M	74.8	Confident	82	Confident	75 Å²	75	83.4 Å²	83.4	37%	0.369	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.2	171.1	-65	-162.4	-71.3	0	0	109.4	K489 T490 D492 F501	K489-M499 WeakPolarHBondContact CA-O 3.18Å; T490-M499 PolarHBondContact N-O 3.4Å; T490-M499 PolarHBondContact O-N 2.85Å; D492-M499 HydrophobicContact CB-CE 3.63Å; D492-M499 HydrophobicContact CB-CG 4.39Å; M499-F501 HydrophobicContact CB-CD2 4.26Å; M499-F501 HydrophobicContact CB-CE2 3.79Å; M499-F501 HydrophobicContact CB-CZ 4.48Å; M499-F501 HydrophobicContact CE-CE2 3.91Å; M499-F501 HydrophobicContact CE-CZ 3.74Å
500	D	77.1	Confident	82.8	Confident	104 Å²	104	76.9 Å²	76.9	56%	0.556	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.8	173.9	-64.4	-21.2	0	0	0	108.2	K489	K489-D500 VanDerWaalsContact CD-OD1 3.22Å; K489-D500 WeakPolarHBondContact CD-OD1 3.48Å; K489-D500 WeakPolarHBondContact CE-OD1 3.43Å; K489-D500 WeakPolarHBondContact CG-OD1 3.43Å; K489-D500 IonicContact NZ-OD1 2.8Å
501	F	77.6	Confident	83.8	Confident	85 Å²	85	73.6 Å²	73.6	37%	0.373	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.3	171.6	-72	-90.8	0	0	0	109.3	T487 T488 T490 M499 F503	T487-F501 CarbonylContact C-O 3.58Å; T487-F501 WeakPolarHBondContact CA-O 3.08Å; T488-F501 PolarHBondContact N-O 2.7Å; T488-F501 PolarHBondContact O-N 3.35Å; T490-F501 VanDerWaalsContact OG1-CD2 3.25Å; T490-F501 WeakPolarHBondContact OG1-CD2 3.49Å; M499-F501 HydrophobicContact CB-CD2 4.26Å; M499-F501 HydrophobicContact CB-CE2 3.79Å; M499-F501 HydrophobicContact CB-CZ 4.48Å; M499-F501 HydrophobicContact CE-CE2 3.91Å; M499-F501 HydrophobicContact CE-CZ 3.74Å; F501-F503 HydrophobicContact CB-CD2 4.23Å; F501-F503 HydrophobicContact CB-CE2 3.41Å; F501-F503 VanDerWaalsContact CB-CE2 3.41Å; F501-F503 HydrophobicContact CB-CZ 3.75Å; F501-F503 HydrophobicContact CD1-CZ 4.35Å; F501-F503 HydrophobicContact CG-CE2 4.35Å; F501-F503 HydrophobicContact CG-CZ 4.29Å
502	S	78.1	Confident	84.8	Confident	56 Å²	56	67.9 Å²	67.9	39%	0.392	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.7	173.2	-157.4	0	0	0	0	109.7	E485 M486	E485-S502 WeakPolarHBondContact CB-OG 3.45Å; E485-S502 PolarHBondContact OE2-OG 2.97Å; M486-S502 WeakPolarHBondContact O-CA 3.28Å
503	F	82.5	Confident	85.8	Confident	118 Å²	118	66.3 Å²	66.3	52%	0.518	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.9	174.8	-59.1	-82.3	0	0	0	109.7	E485 M486 F501 K505	E485-F503 CarbonylContact C-O 3.05Å; E485-F503 WeakPolarHBondContact CA-O 3.11Å; M486-F503 PolarHBondContact N-O 3.39Å; M486-F503 PolarHBondContact O-N 3.33Å; F501-F503 HydrophobicContact CB-CD2 4.23Å; F501-F503 HydrophobicContact CB-CE2 3.41Å; F501-F503 VanDerWaalsContact CB-CE2 3.41Å; F501-F503 HydrophobicContact CB-CZ 3.75Å; F501-F503 HydrophobicContact CD1-CZ 4.35Å; F501-F503 HydrophobicContact CG-CE2 4.35Å; F501-F503 HydrophobicContact CG-CZ 4.29Å; F503-K505 PolarHBondContact O-N 2.89Å
504	E	84.9	Confident	86.8	Confident	108 Å²	108	61.5 Å²	61.5	51%	0.505	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.1	173.6	-164.6	179.3	-136	0	0	110.2	N382 T506	N382-E504 HydrophobicContact CB-CG 3.59Å; N382-E504 WeakPolarHBondContact CB-OE1 3.42Å; N382-E504 PolarHBondContact ND2-OE2 3.34Å; N382-E504 VanDerWaalsContact ND2-OE2 3.12Å; E504-T506 PolarHBondContact O-N 3.44Å
505	K	89.8	Confident	87.5	Confident	30 Å²	30	57.1 Å²	57.1	13%	0.13	28%	0.283	C	S	.	.			trans	-68.7	128.1	176.7	-68.1	-178.3	-172.4	174.1	0	109.7	N382 S479 G484 M486 F503 H507	N382-K505 WeakPolarHBondContact CB-O 3.4Å; N382-K505 VanDerWaalsContact CG-O 3.3Å; S479-K505 PolarHBondContact O-NZ 2.99Å; G484-K505 WeakPolarHBondContact O-CB 3.3Å; G484-K505 WeakPolarHBondContact O-CG 3.36Å; G484-K505 PolarHBondContact O-N 2.75Å; M486-K505 HydrophobicContact CB-CG 4.03Å; F503-K505 PolarHBondContact O-N 2.89Å; K505-H507 VanDerWaalsContact C-N 3.31Å
506	T	89.4	Confident	88	Confident	75 Å²	75	56.1 Å²	56.1	46%	0.46	27%	0.271	S	S	.	.	S	Bend	trans	-83.3	-9.3	177.6	55.3	0	0	0	0	113.1	K380 T435 G436 E504	K380-T506 PolarHBondContact NZ-O 2.96Å; T435-T506 WeakPolarHBondContact CA-O 3.36Å; G436-T506 PolarHBondContact N-O 3.25Å; G436-T506 VanDerWaalsContact N-O 3.14Å; E504-T506 PolarHBondContact O-N 3.44Å
507	H	93.9	Very high	88.6	Confident	34 Å²	34	52.8 Å²	52.8	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.6	179.3	58.4	-87.8	0	0	0	110.9	V433 H434 E480 K505	V433-H507 HydrophobicContact CG1-CB 3.95Å; H434-H507 WeakPolarHBondContact O-CA 3.48Å; E480-H507 PolarHBondContact O-CD2 3.05Å; E480-H507 VanDerWaalsContact O-CD2 3.28Å; K505-H507 VanDerWaalsContact C-N 3.31Å
508	S	95.8	Very high	88.3	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.3	178.3	50.6	0	0	0	0	111.1	R368 V433 H434 Y510	R368-S508 VanDerWaalsContact CD-OG 3.31Å; R368-S508 WeakPolarHBondContact CD-OG 3.32Å; R368-S508 PolarHBondContact NE-OG 2.94Å; V433-S508 WeakPolarHBondContact CA-O 3.33Å; V433-S508 WeakPolarHBondContact CG1-O 3.48Å; H434-S508 PolarHBondContact N-O 3.15Å; H434-S508 PolarHBondContact O-N 3.03Å; S508-Y510 PolarHBondContact O-N 3.4Å
509	A	97	Very high	87.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.4	177.1	0	0	0	0	0	109.8	T366 R368 F387 V431 T432 C481 L512	T366-A509 PolarHBondContact OG1-O 2.91Å; R368-A509 VanDerWaalsContact CD-O 3.29Å; R368-A509 WeakPolarHBondContact CD-O 3.44Å; R368-A509 PolarHBondContact NE-O 3.09Å; F387-A509 HydrophobicContact CE1-CB 3.61Å; F387-A509 HydrophobicContact CZ-CB 3.95Å; V431-A509 HydrophobicContact CG1-CB 3.76Å; T432-A509 CarbonylContact O-C 3.48Å; T432-A509 WeakPolarHBondContact O-CA 3.5Å; C481-A509 HydrophobicContact CB-CB 4.17Å; C481-A509 WeakPolarHBondContact O-CB 3.4Å; C481-A509 PolarHBondContact O-N 3.14Å; A509-L512 HydrophobicContact CB-CD2 3.9Å
510	Y	96.2	Very high	86.8	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-41.6	176.4	-169.2	-114.7	0	0	0	111.4	D256 M257 T258 T366 Y369 T432 H434 Y443 S508	D256-Y510 PolarHBondContact OD1-OH 3.32Å; D256-Y510 PolarHBondContact OD2-OH 3.11Å; M257-Y510 HydrophobicContact CB-CD1 4.26Å; M257-Y510 HydrophobicContact CB-CE1 4.21Å; T258-Y510 WeakPolarHBondContact OG1-CE1 3.4Å; T366-Y510 PolarHBondContact N-O 3.08Å; T366-Y510 VanDerWaalsContact OG1-C 3.23Å; T366-Y510 VanDerWaalsContact OG1-CA 3.24Å; T366-Y510 WeakPolarHBondContact OG1-CA 3.41Å; T366-Y510 PolarHBondContact OG1-O 3.47Å; Y369-Y510 AromaticContact CD2-CE2 3.82Å; Y369-Y510 HydrophobicContact CD2-CE2 3.82Å; Y369-Y510 HydrophobicContact CE2-CD2 4.16Å; Y369-Y510 AromaticContact CE2-CE2 3.26Å; Y369-Y510 HydrophobicContact CE2-CE2 3.26Å; Y369-Y510 AromaticContact CE2-CZ 3.69Å; T432-Y510 PolarHBondContact O-N 3.2Å; H434-Y510 HydrophobicContact CB-CG 4.3Å; Y443-Y510 HydrophobicContact CD1-CD1 4.43Å; Y443-Y510 AromaticContact CE1-CD1 3.58Å; Y443-Y510 HydrophobicContact CE1-CD1 3.58Å; Y443-Y510 HydrophobicContact CE1-CE1 4.06Å; Y443-Y510 AromaticContact CE1-CG 3.96Å; Y443-Y510 HydrophobicContact CE1-CG 3.96Å; S508-Y510 PolarHBondContact O-N 3.4Å
511	M	97.3	Very high	85.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.7	-179.7	-161.6	174.7	173.4	0	0	110.7	M257 F261 T308 F364 T432 F513	M257-M511 HydrophobicContact CE-SD 4.49Å; F261-M511 HydrophobicContact CB-CE 4.43Å; F261-M511 HydrophobicContact CB-SD 4.49Å; F261-M511 HydrophobicContact CD1-CE 3.49Å; F261-M511 VanDerWaalsContact CD1-CE 3.49Å; F261-M511 HydrophobicContact CD2-CE 4.15Å; F261-M511 HydrophobicContact CE1-CE 3.64Å; F261-M511 HydrophobicContact CE2-CE 4.29Å; F261-M511 HydrophobicContact CG-CE 3.76Å; F261-M511 HydrophobicContact CG-SD 4.36Å; F261-M511 HydrophobicContact CZ-CE 4.05Å; T308-M511 HydrophobicContact CG2-CE 3.98Å; F364-M511 CarbonylContact O-C 3.44Å; F364-M511 VanDerWaalsContact O-CA 3.25Å; F364-M511 WeakPolarHBondContact O-CA 3.5Å; F364-M511 VanDerWaalsContact O-CG 3.29Å; F364-M511 WeakPolarHBondContact O-CG 3.44Å; T432-M511 PolarHBondContact N-O 3.37Å; T432-M511 PolarHBondContact O-N 2.85Å; M511-F513 HydrophobicContact CB-CE2 4.3Å; M511-F513 HydrophobicContact CE-CE1 3.53Å; M511-F513 HydrophobicContact CE-CE2 4.43Å; M511-F513 HydrophobicContact CE-CZ 3.48Å; M511-F513 VanDerWaalsContact CE-CZ 3.48Å; M511-F513 HydrophobicContact CG-CE2 3.99Å; M511-F513 HydrophobicContact CG-CZ 3.92Å; M511-F513 HydrophobicContact SD-CE1 4.19Å; M511-F513 HydrophobicContact SD-CE2 4.09Å; M511-F513 HydrophobicContact SD-CZ 3.49Å; M511-F513 WeakPolarHBondContact SD-CZ 3.48Å
512	L	98.3	Very high	84.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.9	179.9	-50.8	171.8	0	0	0	110.3	I319 S363 F364 T366 F387 L428 V431 A509 Y514	I319-L512 HydrophobicContact CD1-CD1 4.07Å; S363-L512 CarbonylContact C-O 3.58Å; S363-L512 WeakPolarHBondContact CA-O 3.41Å; F364-L512 HydrophobicContact CB-CB 4.16Å; F364-L512 HydrophobicContact CD2-CB 4.35Å; F364-L512 PolarHBondContact N-O 2.85Å; F364-L512 PolarHBondContact O-N 2.59Å; T366-L512 HydrophobicContact CG2-CD1 4.38Å; T366-L512 HydrophobicContact CG2-CG 4.4Å; F387-L512 HydrophobicContact CB-CD1 3.94Å; F387-L512 HydrophobicContact CD1-CD1 3.83Å; F387-L512 HydrophobicContact CD1-CD2 4.01Å; F387-L512 HydrophobicContact CD2-CD1 4.2Å; F387-L512 HydrophobicContact CD2-CD2 3.99Å; F387-L512 HydrophobicContact CE1-CD1 4.39Å; F387-L512 HydrophobicContact CE1-CD2 3.74Å; F387-L512 HydrophobicContact CE2-CD2 3.72Å; F387-L512 HydrophobicContact CG-CD1 3.71Å; F387-L512 HydrophobicContact CG-CD2 4.12Å; F387-L512 HydrophobicContact CZ-CD2 3.58Å; L428-L512 HydrophobicContact CD1-CB 4.39Å; V431-L512 HydrophobicContact CB-CD2 4.35Å; V431-L512 HydrophobicContact CG1-CD2 3.88Å; V431-L512 HydrophobicContact CG2-CD2 3.93Å; A509-L512 HydrophobicContact CB-CD2 3.9Å; L512-Y514 HydrophobicContact CB-CD2 4.26Å; L512-Y514 HydrophobicContact CB-CE2 3.86Å; L512-Y514 HydrophobicContact CD1-CE2 4.22Å
513	F	98.1	Very high	83	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.2	179	-60.4	-90.1	0	0	0	110.2	Q189 F261 S363 I429 G430 M511	Q189-F513 HydrophobicContact CB-CD2 4.43Å; Q189-F513 HydrophobicContact CB-CE1 4.5Å; Q189-F513 HydrophobicContact CB-CE2 3.95Å; Q189-F513 HydrophobicContact CB-CZ 3.97Å; Q189-F513 HydrophobicContact CG-CD2 4.09Å; Q189-F513 HydrophobicContact CG-CE2 3.57Å; Q189-F513 HydrophobicContact CG-CZ 4.05Å; F261-F513 HydrophobicContact CD2-CE1 4.36Å; F261-F513 HydrophobicContact CD2-CZ 4.49Å; F261-F513 AromaticContact CE2-CE1 3.8Å; F261-F513 HydrophobicContact CE2-CE1 3.8Å; F261-F513 HydrophobicContact CE2-CZ 4.36Å; F261-F513 HydrophobicContact CZ-CE1 4.06Å; S363-F513 WeakPolarHBondContact OG-CD1 3.46Å; I429-F513 HydrophobicContact CD1-CB 4.41Å; I429-F513 HydrophobicContact CG1-CB 3.96Å; I429-F513 WeakPolarHBondContact CG1-O 3.45Å; I429-F513 PolarHBondContact N-O 3.44Å; G430-F513 PolarHBondContact N-O 3.42Å; G430-F513 PolarHBondContact O-N 2.94Å; M511-F513 HydrophobicContact CB-CE2 4.3Å; M511-F513 HydrophobicContact CE-CE1 3.53Å; M511-F513 HydrophobicContact CE-CE2 4.43Å; M511-F513 HydrophobicContact CE-CZ 3.48Å; M511-F513 VanDerWaalsContact CE-CZ 3.48Å; M511-F513 HydrophobicContact CG-CE2 3.99Å; M511-F513 HydrophobicContact CG-CZ 3.92Å; M511-F513 HydrophobicContact SD-CE1 4.19Å; M511-F513 HydrophobicContact SD-CE2 4.09Å; M511-F513 HydrophobicContact SD-CZ 3.49Å; M511-F513 WeakPolarHBondContact SD-CZ 3.48Å
514	Y	97.5	Very high	81.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	-178.6	-81	-90.9	0	0	0	110.4	I319 I361 L362 F364 P388 L391 D427 L428 L512	I319-Y514 HydrophobicContact CD1-CE2 4.37Å; I361-Y514 CarbonylContact C-O 3.53Å; I361-Y514 VanDerWaalsContact CA-O 3.27Å; I361-Y514 WeakPolarHBondContact CA-O 3.39Å; L362-Y514 PolarHBondContact N-O 2.83Å; L362-Y514 PolarHBondContact O-N 3.13Å; F364-Y514 AromaticContact CD2-CD2 3.62Å; F364-Y514 HydrophobicContact CD2-CD2 3.62Å; F364-Y514 AromaticContact CD2-CE2 3.8Å; F364-Y514 HydrophobicContact CD2-CE2 3.8Å; F364-Y514 AromaticContact CE2-CD2 3.58Å; F364-Y514 HydrophobicContact CE2-CD2 3.58Å; F364-Y514 AromaticContact CE2-CE2 3.87Å; F364-Y514 HydrophobicContact CE2-CE2 3.87Å; F364-Y514 HydrophobicContact CE2-CG 4.36Å; P388-Y514 PolarHBondContact O-OH 2.87Å; L391-Y514 HydrophobicContact CB-CD1 3.95Å; L391-Y514 HydrophobicContact CB-CE1 3.67Å; L391-Y514 HydrophobicContact CD2-CD1 4.45Å; L391-Y514 HydrophobicContact CD2-CE1 4.34Å; L391-Y514 HydrophobicContact CD2-CE2 4.4Å; D427-Y514 CarbonylContact O-C 3.56Å; D427-Y514 VanDerWaalsContact O-CA 3.26Å; D427-Y514 WeakPolarHBondContact O-CA 3.38Å; L428-Y514 HydrophobicContact CB-CD1 4.12Å; L428-Y514 HydrophobicContact CB-CE1 3.76Å; L428-Y514 HydrophobicContact CD1-CD1 4.38Å; L428-Y514 HydrophobicContact CD1-CD2 4.04Å; L428-Y514 HydrophobicContact CD1-CE1 4Å; L428-Y514 HydrophobicContact CD1-CE2 3.66Å; L428-Y514 HydrophobicContact CD1-CG 4.4Å; L428-Y514 HydrophobicContact CG-CE1 4.45Å; L512-Y514 HydrophobicContact CB-CD2 4.26Å; L512-Y514 HydrophobicContact CB-CE2 3.86Å; L512-Y514 HydrophobicContact CD1-CE2 4.22Å
515	K	95	Very high	80.2	Confident	36 Å²	36	54.5 Å²	54.5	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130	174.2	-178.1	170.6	-176.7	168.2	0	110.3	E195 I361 Y426 D427 I429 I450 M517 Y527	E195-K515 IonicContact OE1-NZ 2.79Å; E195-K515 PolarHBondContact OE1-NZ 3.09Å; E195-K515 IonicContact OE2-NZ 3.15Å; I361-K515 HydrophobicContact CD1-CB 3.84Å; I361-K515 HydrophobicContact CD1-CD 4.28Å; I361-K515 HydrophobicContact CD1-CG 3.84Å; Y426-K515 CarbonylContact C-O 3.54Å; Y426-K515 VanDerWaalsContact CA-O 3.25Å; Y426-K515 WeakPolarHBondContact CA-O 3.28Å; Y426-K515 VanDerWaalsContact CD1-C 3.45Å; D427-K515 PolarHBondContact N-O 3.28Å; D427-K515 PolarHBondContact O-N 3.44Å; I429-K515 HydrophobicContact CD1-CB 4.14Å; I429-K515 HydrophobicContact CG1-CB 4.37Å; I429-K515 HydrophobicContact CG2-CB 3.61Å; I450-K515 HydrophobicContact CD1-CD 3.97Å; K515-M517 PolarHBondContact O-N 3.02Å; K515-Y527 PolarHBondContact NZ-OH 3.14Å
516	R	92.9	Very high	78.9	Confident	50 Å²	50	60.5 Å²	60.5	19%	0.189	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	132.8	175.2	-167.7	174.9	179.5	-179.4	-1	109.2	R360 E422 S423 Y426 E518	R360-R516 PolarHBondContact O-N 2.81Å; E422-R516 IonicContact OE2-CZ 3.26Å; E422-R516 IonicContact OE2-NH1 3.07Å; E422-R516 PolarHBondContact OE2-NH1 3.06Å; E422-R516 IonicContact OE2-NH2 3.52Å; E422-R516 PolarHBondContact OE2-NH2 3.29Å; S423-R516 PolarHBondContact O-NE 3.15Å; S423-R516 PolarHBondContact O-NH2 3.35Å; Y426-R516 VanDerWaalsContact CD1-CA 3.48Å; Y426-R516 HydrophobicContact CD1-CB 3.97Å; Y426-R516 HydrophobicContact CE1-CB 3.53Å; Y426-R516 HydrophobicContact CE1-CG 4.19Å; Y426-R516 HydrophobicContact CE2-CB 4.4Å; Y426-R516 HydrophobicContact CE2-CG 4.19Å; R516-E518 PolarHBondContact O-N 3.36Å
517	M	87.6	Confident	77.9	Confident	45 Å²	45	60.4 Å²	60.4	22%	0.222	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-70.4	124	175.6	-68.2	-152	-68.1	0	0	109.8	E425 K515	E425-M517 HydrophobicContact CB-CE 3.42Å; E425-M517 VanDerWaalsContact CB-CE 3.42Å; E425-M517 HydrophobicContact CG-CE 4.13Å; E425-M517 PolarHBondContact O-N 3.48Å; E425-M517 WeakPolarHBondContact OE2-CE 3.28Å; K515-M517 PolarHBondContact O-N 3.02Å
518	E	75	Confident	77	Confident	37 Å²	37	66.9 Å²	66.9	17%	0.173	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-93.4	154.9	172.5	-68.9	-171.6	163.7	0	0	110.2	R360 R516 E522 N523	R360-E518 IonicContact CZ-OE1 3.82Å; R360-E518 IonicContact NH1-OE1 3.92Å; R360-E518 PolarHBondContact NH1-OE1 3.18Å; R360-E518 IonicContact NH2-OE1 3.94Å; R516-E518 PolarHBondContact O-N 3.36Å; E518-E522 HydrophobicContact CB-CB 4.24Å; E518-E522 VanDerWaalsContact CD-OE2 3.29Å; E518-N523 PolarHBondContact O-ND2 3.04Å
519	P	63.2	Low	76.5	Confident	95 Å²	95	69 Å²	69	62%	0.617	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-55.7	150.6	175.1	-20.3	31.2	0	0	0	111.8	E521 E522	P519-E521 PolarHBondContact O-N 2.72Å; P519-E522 PolarHBondContact O-N 2.71Å
520	E	55.9	Low	75.9	Confident	181 Å²	181	74.4 Å²	74.4	85%	0.846	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.4	-173.3	-69.2	-177.9	155.3	0	0	114.9	E522	E520-E522 PolarHBondContact O-N 3.32Å
521	E	49	Very low	75.6	Confident	191 Å²	191	74.6 Å²	74.6	89%	0.893	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.8	177.6	-64.2	-174.6	170.9	0	0	114.1	P519	P519-E521 PolarHBondContact O-N 2.72Å
522	E	52.4	Low	75.3	Confident	57 Å²	57	77.1 Å²	77.1	27%	0.266	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-19.2	177.8	-66.3	-162.5	119	0	0	113.5	E518 P519 E520 G524 R525	E518-E522 HydrophobicContact CB-CB 4.24Å; E518-E522 VanDerWaalsContact CD-OE2 3.29Å; P519-E522 PolarHBondContact O-N 2.71Å; E520-E522 PolarHBondContact O-N 3.32Å; E522-G524 PolarHBondContact O-N 3.32Å; E522-R525 PolarHBondContact O-N 2.97Å; E522-R525 IonicContact OE1-CZ 2.83Å; E522-R525 IonicContact OE1-NH1 3.33Å; E522-R525 PolarHBondContact OE1-NH1 2.98Å; E522-R525 IonicContact OE1-NH2 2.7Å; E522-R525 PolarHBondContact OE1-NH2 3.45Å
523	N	50.5	Low	74.9	Confident	91 Å²	91	81.1 Å²	81.1	49%	0.487	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.9	-176.8	-75.8	-28.3	0	0	0	114.8	E518	E518-N523 PolarHBondContact O-ND2 3.04Å
524	G	51.8	Low	74.6	Confident	63 Å²	63	88.5 Å²	88.5	65%	0.649	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	6.8	178.6	0	0	0	0	0	115.4	E522 E526	E522-G524 PolarHBondContact O-N 3.32Å; G524-E526 PolarHBondContact O-N 3.38Å
525	R	58.6	Low	74.4	Confident	149 Å²	149	89.1 Å²	89.1	56%	0.562	45%	0.45	S	S	*	.			trans	-68.7	114	179.9	-76.2	-175.8	179.1	143.6	8.7	110.8	E522 Y527	E522-R525 PolarHBondContact O-N 2.97Å; E522-R525 IonicContact OE1-CZ 2.83Å; E522-R525 IonicContact OE1-NH1 3.33Å; E522-R525 PolarHBondContact OE1-NH1 2.98Å; E522-R525 IonicContact OE1-NH2 2.7Å; E522-R525 PolarHBondContact OE1-NH2 3.45Å; R525-Y527 PolarHBondContact O-N 3.03Å
526	E	61.9	Low	74.3	Confident	156 Å²	156	89 Å²	89	73%	0.729	45%	0.451	S	S	*	.			trans	-65.3	116.5	162.8	-79.4	-172.5	168	0	0	109.1	G524 K528	G524-E526 PolarHBondContact O-N 3.38Å; E526-K528 PolarHBondContact O-N 2.96Å
527	Y	68.8	Low	74.4	Confident	73 Å²	73	92.6 Å²	92.6	29%	0.286	47%	0.47	S	S	.	.			trans	-76.9	108.4	172.2	-65.5	-85.2	0	0	0	109.4	P194 E195 V451 K515 R525 F529	P194-Y527 HydrophobicContact CB-CD1 3.61Å; P194-Y527 HydrophobicContact CB-CD2 3.96Å; P194-Y527 HydrophobicContact CB-CE1 3.62Å; P194-Y527 HydrophobicContact CB-CE2 3.99Å; P194-Y527 HydrophobicContact CB-CG 3.77Å; P194-Y527 HydrophobicContact CG-CD1 4.17Å; P194-Y527 HydrophobicContact CG-CD2 4.12Å; P194-Y527 HydrophobicContact CG-CE1 3.68Å; P194-Y527 HydrophobicContact CG-CE2 3.64Å; P194-Y527 HydrophobicContact CG-CG 4.35Å; E195-Y527 PolarHBondContact OE1-OH 2.94Å; V451-Y527 HydrophobicContact CG1-CD2 4.42Å; K515-Y527 PolarHBondContact NZ-OH 3.14Å; R525-Y527 PolarHBondContact O-N 3.03Å; Y527-F529 VanDerWaalsContact CB-CZ 3.47Å; Y527-F529 HydrophobicContact CG-CZ 4.22Å
528	K	74.7	Confident	74.7	Confident	170 Å²	170	95.2 Å²	95.2	74%	0.739	48%	0.478	S	S	*	.			trans	-96.3	118.9	165.5	-69.7	-174.4	-179.8	178.7	0	108.5	E526	E526-K528 PolarHBondContact O-N 2.96Å
529	F	84.6	Confident	75.6	Confident	46 Å²	46	93.5 Å²	93.5	20%	0.202	47%	0.469	C	S	.	.			trans	-85.4	127.8	178.8	-60.6	-78	0	0	0	109.9	P194 R197 Q198 F201 M226 V451 Y527 V531	P194-F529 HydrophobicContact CB-CE1 4.23Å; P194-F529 HydrophobicContact CB-CZ 3.9Å; R197-F529 HydrophobicContact CB-CE1 4.18Å; R197-F529 HydrophobicContact CG-CD1 4.08Å; R197-F529 HydrophobicContact CG-CE1 4.06Å; R197-F529 VanDerWaalsContact NE-CZ 3.27Å; Q198-F529 HydrophobicContact CB-CD1 4.2Å; Q198-F529 HydrophobicContact CB-CE1 4.26Å; Q198-F529 VanDerWaalsContact OE1-CA 3.25Å; F201-F529 HydrophobicContact CD2-CB 4Å; F201-F529 HydrophobicContact CD2-CD1 4.07Å; F201-F529 HydrophobicContact CD2-CG 4.36Å; F201-F529 HydrophobicContact CE2-CB 4.03Å; F201-F529 HydrophobicContact CE2-CD1 4.15Å; F201-F529 HydrophobicContact CE2-CG 4.21Å; M226-F529 HydrophobicContact SD-CB 4.03Å; M226-F529 HydrophobicContact SD-CD2 4.41Å; M226-F529 HydrophobicContact SD-CG 4.37Å; V451-F529 HydrophobicContact CG1-CE2 4.43Å; Y527-F529 VanDerWaalsContact CB-CZ 3.47Å; Y527-F529 HydrophobicContact CG-CZ 4.22Å; F529-V531 HydrophobicContact CB-CG2 4.43Å
530	D	85.5	Confident	77	Confident	112 Å²	112	89.8 Å²	89.8	60%	0.599	44%	0.443	S	S	*	.			trans	-96.8	102.7	177.3	-169.5	7.7	0	0	0	108.4	F201 T202	F201-D530 WeakPolarHBondContact CB-O 3.3Å; T202-D530 HydrophobicContact CG2-CB 4.16Å
531	V	88.1	Confident	78.8	Confident	13 Å²	13	87 Å²	87	8%	0.079	43%	0.43	C	S	.	.			trans	-111.7	140.3	-177.9	-175.7	0	0	0	0	108.6	F201 T223 M226 F529 L535 L536	F201-V531 HydrophobicContact CB-CG2 4.38Å; F201-V531 HydrophobicContact CD1-CG1 4.42Å; F201-V531 HydrophobicContact CD1-CG2 3.85Å; F201-V531 HydrophobicContact CD2-CG2 3.82Å; F201-V531 HydrophobicContact CE1-CG2 3.93Å; F201-V531 HydrophobicContact CE2-CG2 3.89Å; F201-V531 HydrophobicContact CG-CG2 3.8Å; F201-V531 HydrophobicContact CZ-CG2 3.95Å; T223-V531 HydrophobicContact CG2-CG1 4.06Å; M226-V531 HydrophobicContact CE-CB 4.39Å; M226-V531 HydrophobicContact CE-CG2 3.51Å; M226-V531 HydrophobicContact SD-CG2 4.33Å; F529-V531 HydrophobicContact CB-CG2 4.43Å; V531-L535 HydrophobicContact CG1-CB 4.08Å; V531-L535 HydrophobicContact CG1-CD1 4.46Å; V531-L536 HydrophobicContact CB-CD1 4.31Å; V531-L536 HydrophobicContact CB-CD2 4.33Å; V531-L536 HydrophobicContact CB-CG 4.13Å; V531-L536 HydrophobicContact CG1-CD2 4.25Å; V531-L536 HydrophobicContact CG1-CG 3.99Å
532	S	90.9	Very high	80.8	Confident	54 Å²	54	80.7 Å²	80.7	38%	0.378	40%	0.402	S	S	.	.			trans	-60	143.6	-179.7	73.2	0	0	0	0	111.7	E534 L535 L536	S532-E534 PolarHBondContact O-N 3.39Å; S532-L535 PolarHBondContact O-N 2.87Å; S532-L535 WeakPolarHBondContact OG-CB 3.27Å; S532-L535 WeakPolarHBondContact OG-CD1 3.45Å; S532-L535 VanDerWaalsContact OG-CG 3.26Å; S532-L535 WeakPolarHBondContact OG-CG 3.26Å; S532-L535 PolarHBondContact OG-N 2.69Å; S532-L536 PolarHBondContact O-N 3.26Å; S532-L536 VanDerWaalsContact O-N 3.08Å
533	S	91.3	Very high	82.8	Confident	84 Å²	84	78 Å²	78	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-59.1	-34.4	178.5	-53.6	0	0	0	0	112.4	L536 E537	S533-L536 PolarHBondContact O-N 2.95Å; S533-E537 WeakPolarHBondContact O-CB 3.41Å; S533-E537 VanDerWaalsContact O-CG 3.27Å; S533-E537 WeakPolarHBondContact O-CG 3.43Å; S533-E537 PolarHBondContact O-N 3.3Å
534	E	91.9	Very high	84.8	Confident	156 Å²	156	76.9 Å²	76.9	73%	0.729	38%	0.382	S	S	*	.	H	α-helix	trans	-63.4	-46.3	178.3	-175.9	-179.9	-177.4	0	0	112	S532 L536 E537 W538	S532-E534 PolarHBondContact O-N 3.39Å; E534-L536 VanDerWaalsContact C-N 3.33Å; E534-L536 PolarHBondContact O-N 3.45Å; E534-E537 PolarHBondContact O-N 2.95Å; E534-W538 WeakPolarHBondContact O-CB 3.48Å; E534-W538 PolarHBondContact O-N 3.05Å
535	L	93.1	Very high	86.6	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-67.1	-37.3	177.5	-70.3	173.4	0	0	0	111.5	Q219 K220 T223 V531 S532 I539	Q219-L535 HydrophobicContact CB-CD1 3.93Å; K220-L535 HydrophobicContact CG-CD2 3.67Å; T223-L535 HydrophobicContact CG2-CB 4.07Å; V531-L535 HydrophobicContact CG1-CB 4.08Å; V531-L535 HydrophobicContact CG1-CD1 4.46Å; S532-L535 PolarHBondContact O-N 2.87Å; S532-L535 WeakPolarHBondContact OG-CB 3.27Å; S532-L535 WeakPolarHBondContact OG-CD1 3.45Å; S532-L535 VanDerWaalsContact OG-CG 3.26Å; S532-L535 WeakPolarHBondContact OG-CG 3.26Å; S532-L535 PolarHBondContact OG-N 2.69Å; L535-I539 WeakPolarHBondContact O-CG2 3.4Å; L535-I539 PolarHBondContact O-N 3.16Å
536	L	93.3	Very high	88.2	Confident	32 Å²	32	69.5 Å²	69.5	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-44	174.6	-74.6	174.9	0	0	0	112	L105 E227 V531 S532 S533 E534 W538 I539 W540	L105-L536 HydrophobicContact CD1-CB 4.25Å; L105-L536 HydrophobicContact CD2-CB 4.21Å; E227-L536 HydrophobicContact CG-CD2 4.03Å; V531-L536 HydrophobicContact CB-CD1 4.31Å; V531-L536 HydrophobicContact CB-CD2 4.33Å; V531-L536 HydrophobicContact CB-CG 4.13Å; V531-L536 HydrophobicContact CG1-CD2 4.25Å; V531-L536 HydrophobicContact CG1-CG 3.99Å; S532-L536 PolarHBondContact O-N 3.26Å; S532-L536 VanDerWaalsContact O-N 3.08Å; S533-L536 PolarHBondContact O-N 2.95Å; E534-L536 VanDerWaalsContact C-N 3.33Å; E534-L536 PolarHBondContact O-N 3.45Å; L536-W538 VanDerWaalsContact C-N 3.35Å; L536-I539 WeakPolarHBondContact O-CG2 3.44Å; L536-W540 VanDerWaalsContact O-CB 3.28Å; L536-W540 WeakPolarHBondContact O-CB 3.48Å; L536-W540 PolarHBondContact O-N 2.83Å
537	E	93.6	Very high	89.7	Confident	127 Å²	127	62.9 Å²	62.9	59%	0.593	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-41.7	177.1	-76.5	173.5	-171.6	0	0	111.4	L105 S533 E534 W540 H541	L105-E537 HydrophobicContact CD1-CG 3.96Å; S533-E537 WeakPolarHBondContact O-CB 3.41Å; S533-E537 VanDerWaalsContact O-CG 3.27Å; S533-E537 WeakPolarHBondContact O-CG 3.43Å; S533-E537 PolarHBondContact O-N 3.3Å; E534-E537 PolarHBondContact O-N 2.95Å; E537-W540 PolarHBondContact O-N 3.08Å; E537-H541 WeakPolarHBondContact O-CB 3.05Å; E537-H541 PolarHBondContact O-N 3.22Å
538	W	94.1	Very high	90.8	Very high	100 Å²	100	62 Å²	62	38%	0.379	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-55.2	175	166.2	68.6	0	0	0	112.2	K220 Y224 E534 L536 W540 H541 D542	K220-W538 HydrophobicContact CB-CH2 4.17Å; K220-W538 HydrophobicContact CB-CZ3 4.12Å; K220-W538 HydrophobicContact CG-CZ3 4.33Å; Y224-W538 HydrophobicContact CD2-CH2 4.17Å; E534-W538 WeakPolarHBondContact O-CB 3.48Å; E534-W538 PolarHBondContact O-N 3.05Å; L536-W538 VanDerWaalsContact C-N 3.35Å; W538-W540 VanDerWaalsContact C-N 3.29Å; W538-W540 PolarHBondContact O-N 3.03Å; W538-H541 WeakPolarHBondContact O-CB 3.32Å; W538-H541 PolarHBondContact O-N 3.34Å; W538-D542 PolarHBondContact O-N 2.76Å; W538-D542 VanDerWaalsContact O-N 3.13Å
539	I	94.8	Very high	91.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.2	-30.8	-177	-167.6	57.3	0	0	0	112.4	T223 Y224 E227 L535 L536 D542 N543	T223-I539 HydrophobicContact CG2-CB 4.3Å; T223-I539 HydrophobicContact CG2-CG2 3.9Å; Y224-I539 HydrophobicContact CD2-CD1 3.32Å; Y224-I539 HydrophobicContact CE2-CD1 3.86Å; Y224-I539 HydrophobicContact CG-CD1 3.95Å; E227-I539 HydrophobicContact CB-CG1 4.13Å; E227-I539 HydrophobicContact CB-CG2 3.82Å; E227-I539 HydrophobicContact CG-CG2 4.44Å; L535-I539 WeakPolarHBondContact O-CG2 3.4Å; L535-I539 PolarHBondContact O-N 3.16Å; L536-I539 WeakPolarHBondContact O-CG2 3.44Å; I539-D542 HydrophobicContact CD1-CB 4.43Å; I539-D542 PolarHBondContact O-N 3.48Å; I539-N543 WeakPolarHBondContact O-CB 3.43Å; I539-N543 VanDerWaalsContact O-CG 3.25Å; I539-N543 PolarHBondContact O-N 3.41Å; I539-N543 PolarHBondContact O-ND2 3.15Å
540	W	93.1	Very high	92	Very high	18 Å²	18	54 Å²	54	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-74.5	-31.5	177.3	-85.9	79.2	0	0	0	112.6	P103 S104 L105 R108 E227 L536 E537 W538 M544	P103-W540 HydrophobicContact CB-CH2 4.47Å; P103-W540 HydrophobicContact CB-CZ3 3.89Å; P103-W540 HydrophobicContact CG-CZ3 4.26Å; S104-W540 VanDerWaalsContact C-CZ3 3.5Å; L105-W540 HydrophobicContact CD1-CB 4.44Å; L105-W540 HydrophobicContact CD1-CG 4.39Å; L105-W540 HydrophobicContact CD2-CD2 3.94Å; L105-W540 HydrophobicContact CD2-CG 3.63Å; L105-W540 VanDerWaalsContact CD2-NE1 3.3Å; L105-W540 HydrophobicContact CG-CB 4.02Å; L105-W540 HydrophobicContact CG-CD2 3.97Å; L105-W540 HydrophobicContact CG-CG 3.58Å; R108-W540 HydrophobicContact CB-CH2 3.82Å; R108-W540 HydrophobicContact CB-CZ2 4.42Å; R108-W540 HydrophobicContact CG-CH2 3.49Å; R108-W540 VanDerWaalsContact CG-CH2 3.49Å; R108-W540 HydrophobicContact CG-CZ2 3.69Å; R108-W540 HydrophobicContact CG-CZ3 4.42Å; E227-W540 PolarHBondContact OE2-NE1 2.84Å; L536-W540 VanDerWaalsContact O-CB 3.28Å; L536-W540 WeakPolarHBondContact O-CB 3.48Å; L536-W540 PolarHBondContact O-N 2.83Å; E537-W540 PolarHBondContact O-N 3.08Å; W538-W540 VanDerWaalsContact C-N 3.29Å; W538-W540 PolarHBondContact O-N 3.03Å; W540-M544 WeakPolarHBondContact O-CB 3.16Å; W540-M544 WeakPolarHBondContact O-CG 3.26Å; W540-M544 PolarHBondContact O-N 2.73Å
541	H	92.3	Very high	92.3	Very high	123 Å²	123	49.6 Å²	49.6	57%	0.569	25%	0.247	S	C	*	.	H	α-helix	trans	-63	-46.1	169.3	-175.2	63.8	0	0	0	111.2	E537 W538 M544 Q545	E537-H541 WeakPolarHBondContact O-CB 3.05Å; E537-H541 PolarHBondContact O-N 3.22Å; W538-H541 WeakPolarHBondContact O-CB 3.32Å; W538-H541 PolarHBondContact O-N 3.34Å; H541-M544 PolarHBondContact O-N 3.46Å; H541-Q545 PolarHBondContact O-N 2.65Å; H541-Q545 VanDerWaalsContact O-N 3.09Å
542	D	92.4	Very high	92.6	Very high	58 Å²	58	49 Å²	49	31%	0.31	24%	0.243	S	C	.	.	H	α-helix	trans	-59.3	-47.9	175.8	-169.9	60	0	0	0	111.9	W538 I539 M544 Q545 F546	W538-D542 PolarHBondContact O-N 2.76Å; W538-D542 VanDerWaalsContact O-N 3.13Å; I539-D542 HydrophobicContact CD1-CB 4.43Å; I539-D542 PolarHBondContact O-N 3.48Å; D542-M544 VanDerWaalsContact C-N 3.33Å; D542-M544 PolarHBondContact O-N 3.19Å; D542-Q545 PolarHBondContact O-N 3.05Å; D542-F546 PolarHBondContact O-N 3.26Å
543	N	93.4	Very high	92.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-40.8	175.5	-78.2	-19.7	0	0	0	112.9	E227 S228 E229 I539 Q545 F546 L547	E227-N543 PolarHBondContact O-ND2 2.9Å; S228-N543 VanDerWaalsContact CA-OD1 3.29Å; S228-N543 WeakPolarHBondContact CA-OD1 3.48Å; E229-N543 PolarHBondContact N-OD1 3.12Å; I539-N543 WeakPolarHBondContact O-CB 3.43Å; I539-N543 VanDerWaalsContact O-CG 3.25Å; I539-N543 PolarHBondContact O-N 3.41Å; I539-N543 PolarHBondContact O-ND2 3.15Å; N543-Q545 VanDerWaalsContact C-N 3.34Å; N543-F546 PolarHBondContact O-N 2.99Å; N543-L547 VanDerWaalsContact O-CB 3.27Å; N543-L547 WeakPolarHBondContact O-CB 3.39Å; N543-L547 WeakPolarHBondContact O-CG 3.22Å; N543-L547 PolarHBondContact O-N 3.18Å
544	M	91.8	Very high	92.7	Very high	66 Å²	66	43.3 Å²	43.3	33%	0.325	20%	0.202	S	C	.	.	H	α-helix	trans	-62.9	-43.9	178.3	-77.5	174.7	64.2	0	0	110.8	L102 P103 W540 H541 D542 Q548	L102-M544 HydrophobicContact CB-CE 4.3Å; L102-M544 HydrophobicContact CB-CG 4.24Å; L102-M544 HydrophobicContact CD1-CB 4.07Å; L102-M544 HydrophobicContact CD1-CE 4.21Å; L102-M544 WeakPolarHBondContact CD1-O 3.28Å; P103-M544 WeakPolarHBondContact O-CG 3.32Å; W540-M544 WeakPolarHBondContact O-CB 3.16Å; W540-M544 WeakPolarHBondContact O-CG 3.26Å; W540-M544 PolarHBondContact O-N 2.73Å; H541-M544 PolarHBondContact O-N 3.46Å; D542-M544 VanDerWaalsContact C-N 3.33Å; D542-M544 PolarHBondContact O-N 3.19Å; M544-Q548 WeakPolarHBondContact O-CB 3.23Å; M544-Q548 PolarHBondContact O-N 3.21Å
545	Q	90.7	Very high	92.8	Very high	40 Å²	40	40.2 Å²	40.2	19%	0.187	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-51.8	175.9	-176.4	58.1	42.5	0	0	111.1	H152 H541 D542 N543 L547 Q548 D549	H152-Q545 PolarHBondContact CD2-OE1 3.17Å; H152-Q545 PolarHBondContact NE2-OE1 2.93Å; H541-Q545 PolarHBondContact O-N 2.65Å; H541-Q545 VanDerWaalsContact O-N 3.09Å; D542-Q545 PolarHBondContact O-N 3.05Å; N543-Q545 VanDerWaalsContact C-N 3.34Å; Q545-L547 VanDerWaalsContact C-N 3.33Å; Q545-L547 PolarHBondContact O-N 3.37Å; Q545-Q548 WeakPolarHBondContact O-CB 3.12Å; Q545-Q548 PolarHBondContact O-N 3.1Å; Q545-Q548 VanDerWaalsContact O-N 3.15Å; Q545-D549 PolarHBondContact NE2-OD1 3.36Å; Q545-D549 VanDerWaalsContact NE2-OD1 3.17Å; Q545-D549 PolarHBondContact NE2-OD2 3.41Å; Q545-D549 VanDerWaalsContact O-CG 3.31Å; Q545-D549 PolarHBondContact O-N 2.94Å
546	F	92.6	Very high	92.8	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-43.4	178.5	175.8	-104.4	0	0	0	112.9	P161 D164 V165 E229 C230 D542 N543 D549 K550	P161-F546 HydrophobicContact CB-CD2 4.3Å; P161-F546 HydrophobicContact CB-CE2 3.73Å; P161-F546 HydrophobicContact CB-CZ 4.32Å; P161-F546 WeakPolarHBondContact O-CZ 3.49Å; D164-F546 HydrophobicContact CB-CE2 4.19Å; D164-F546 HydrophobicContact CB-CZ 4.47Å; D164-F546 WeakPolarHBondContact O-CZ 3.4Å; V165-F546 HydrophobicContact CG2-CE1 4.34Å; V165-F546 HydrophobicContact CG2-CZ 4.05Å; E229-F546 HydrophobicContact CB-CD1 4.2Å; E229-F546 HydrophobicContact CB-CE1 4.41Å; E229-F546 WeakPolarHBondContact O-CE1 3.39Å; C230-F546 VanDerWaalsContact SG-CD2 3.51Å; C230-F546 WeakPolarHBondContact SG-CG 3.5Å; D542-F546 PolarHBondContact O-N 3.26Å; N543-F546 PolarHBondContact O-N 2.99Å; F546-D549 PolarHBondContact O-N 3.22Å; F546-K550 WeakPolarHBondContact O-CB 3.35Å; F546-K550 PolarHBondContact O-N 3.37Å
547	L	92.1	Very high	93	Very high	18 Å²	18	39.3 Å²	39.3	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-70.4	-33.6	178.8	-71	174.4	0	0	0	112.4	L102 P103 E229 N543 Q545 D549 K550 N551	L102-L547 HydrophobicContact CD2-CB 4.15Å; P103-L547 HydrophobicContact CG-CD1 3.38Å; E229-L547 HydrophobicContact CB-CD2 4.32Å; E229-L547 HydrophobicContact CG-CD1 4.32Å; E229-L547 HydrophobicContact CG-CD2 4.47Å; N543-L547 VanDerWaalsContact O-CB 3.27Å; N543-L547 WeakPolarHBondContact O-CB 3.39Å; N543-L547 WeakPolarHBondContact O-CG 3.22Å; N543-L547 PolarHBondContact O-N 3.18Å; Q545-L547 VanDerWaalsContact C-N 3.33Å; Q545-L547 PolarHBondContact O-N 3.37Å; L547-D549 VanDerWaalsContact C-N 3.35Å; L547-K550 HydrophobicContact CD2-CD 4.34Å; L547-N551 WeakPolarHBondContact O-CB 3.35Å; L547-N551 PolarHBondContact O-N 2.9Å; L547-N551 PolarHBondContact O-ND2 2.94Å
548	Q	92.2	Very high	93.1	Very high	55 Å²	55	33.9 Å²	33.9	26%	0.257	16%	0.158	S	C	.	.	H	α-helix	trans	-60.9	-48.2	171.5	178.1	171.2	-20.5	0	0	110.3	L102 M544 Q545 N551 I552	L102-Q548 HydrophobicContact CD1-CB 4.1Å; L102-Q548 HydrophobicContact CD2-CB 4.23Å; M544-Q548 WeakPolarHBondContact O-CB 3.23Å; M544-Q548 PolarHBondContact O-N 3.21Å; Q545-Q548 WeakPolarHBondContact O-CB 3.12Å; Q545-Q548 PolarHBondContact O-N 3.1Å; Q545-Q548 VanDerWaalsContact O-N 3.15Å; Q548-N551 WeakPolarHBondContact O-CB 3.4Å; Q548-N551 PolarHBondContact O-N 3.4Å; Q548-N551 VanDerWaalsContact O-N 3.12Å; Q548-I552 PolarHBondContact O-N 3.46Å
549	D	92.8	Very high	93.2	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-47.7	178.7	-65.9	-23.8	0	0	0	110.9	Y155 Y159 P161 Q545 F546 L547 N551 I552 F553	Y155-D549 HydrophobicContact CE1-CB 4.37Å; Y155-D549 VanDerWaalsContact CE1-CG 3.48Å; Y155-D549 VanDerWaalsContact CE1-OD1 3.23Å; Y155-D549 WeakPolarHBondContact CE1-OD1 3.45Å; Y155-D549 PolarHBondContact OH-OD1 3.11Å; Y159-D549 HydrophobicContact CE1-CB 4.07Å; P161-D549 HydrophobicContact CG-CB 4.41Å; Q545-D549 PolarHBondContact NE2-OD1 3.36Å; Q545-D549 VanDerWaalsContact NE2-OD1 3.17Å; Q545-D549 PolarHBondContact NE2-OD2 3.41Å; Q545-D549 VanDerWaalsContact O-CG 3.31Å; Q545-D549 PolarHBondContact O-N 2.94Å; F546-D549 PolarHBondContact O-N 3.22Å; L547-D549 VanDerWaalsContact C-N 3.35Å; D549-N551 PolarHBondContact O-N 3.39Å; D549-I552 VanDerWaalsContact O-CG1 3.22Å; D549-I552 WeakPolarHBondContact O-CG1 3.07Å; D549-I552 PolarHBondContact O-N 3.35Å; D549-I552 VanDerWaalsContact O-N 3.11Å; D549-F553 HydrophobicContact CB-CD2 4.42Å; D549-F553 WeakPolarHBondContact O-CB 3.36Å; D549-F553 VanDerWaalsContact O-CD2 3.32Å; D549-F553 WeakPolarHBondContact O-CD2 3.3Å; D549-F553 PolarHBondContact O-N 3.43Å
550	K	92.1	Very high	93.3	Very high	38 Å²	38	31.1 Å²	31.1	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-54.6	-38.4	172.6	-176.7	-177.3	174.7	176.6	0	113.1	P161 H162 V165 F546 L547	P161-K550 HydrophobicContact CB-CB 4.43Å; P161-K550 HydrophobicContact CG-CB 4.38Å; H162-K550 PolarHBondContact NE2-O 3.04Å; V165-K550 HydrophobicContact CG2-CD 3.87Å; F546-K550 WeakPolarHBondContact O-CB 3.35Å; F546-K550 PolarHBondContact O-N 3.37Å; L547-K550 HydrophobicContact CD2-CD 4.34Å
551	N	92.1	Very high	93.6	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	16%	0.156	C	C	.	.	H	α-helix	trans	-72.5	-27.5	-179.2	-76.8	-36.2	0	0	0	113.6	F100 R119 L547 Q548 D549	F100-N551 HydrophobicContact CD1-CB 4.24Å; F100-N551 HydrophobicContact CE1-CB 4.33Å; R119-N551 PolarHBondContact NH1-OD1 3.43Å; R119-N551 PolarHBondContact NH2-O 3.3Å; R119-N551 VanDerWaalsContact NH2-O 3.09Å; L547-N551 WeakPolarHBondContact O-CB 3.35Å; L547-N551 PolarHBondContact O-N 2.9Å; L547-N551 PolarHBondContact O-ND2 2.94Å; Q548-N551 WeakPolarHBondContact O-CB 3.4Å; Q548-N551 PolarHBondContact O-N 3.4Å; Q548-N551 VanDerWaalsContact O-N 3.12Å; D549-N551 PolarHBondContact O-N 3.39Å
552	I	93.3	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-94.2	-31.4	179.1	65.5	173.2	0	0	0	112.3	Y155 Q548 D549 E554 Y557 F558 T593	Y155-I552 WeakPolarHBondContact OH-CD1 3.49Å; Q548-I552 PolarHBondContact O-N 3.46Å; D549-I552 VanDerWaalsContact O-CG1 3.22Å; D549-I552 WeakPolarHBondContact O-CG1 3.07Å; D549-I552 PolarHBondContact O-N 3.35Å; D549-I552 VanDerWaalsContact O-N 3.11Å; I552-E554 PolarHBondContact O-N 3.22Å; I552-Y557 HydrophobicContact CB-CD1 4.14Å; I552-Y557 HydrophobicContact CB-CE1 3.94Å; I552-Y557 HydrophobicContact CG2-CE1 4.18Å; I552-Y557 HydrophobicContact CG2-CE2 4.47Å; I552-Y557 WeakPolarHBondContact O-CD1 3.41Å; I552-F558 WeakPolarHBondContact O-CE1 3.15Å; I552-T593 HydrophobicContact CD1-CG2 4.18Å; I552-T593 HydrophobicContact CG1-CG2 4.43Å
553	F	93.8	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-84.6	53.7	175.7	-76.5	-88.1	0	0	0	111.2	Y155 Y159 W160 P161 H162 D549 F558 T593 H596	Y155-F553 AromaticContact CD1-CE2 3.95Å; Y155-F553 HydrophobicContact CD1-CE2 3.95Å; Y155-F553 HydrophobicContact CD1-CZ 4.19Å; Y155-F553 AromaticContact CD2-CE2 3.91Å; Y155-F553 HydrophobicContact CD2-CE2 3.91Å; Y155-F553 AromaticContact CD2-CZ 3.67Å; Y155-F553 HydrophobicContact CD2-CZ 3.67Å; Y155-F553 AromaticContact CE1-CE2 3.82Å; Y155-F553 HydrophobicContact CE1-CE2 3.82Å; Y155-F553 HydrophobicContact CE1-CZ 4.45Å; Y155-F553 AromaticContact CE2-CE2 3.75Å; Y155-F553 HydrophobicContact CE2-CE2 3.75Å; Y155-F553 AromaticContact CE2-CZ 3.94Å; Y155-F553 HydrophobicContact CE2-CZ 3.94Å; Y155-F553 HydrophobicContact CG-CE2 4Å; Y155-F553 AromaticContact CG-CZ 3.8Å; Y155-F553 HydrophobicContact CG-CZ 3.8Å; Y155-F553 AromaticContact CZ-CE2 3.71Å; Y159-F553 HydrophobicContact CD1-CD1 4.2Å; Y159-F553 AromaticContact CD1-CD2 3.9Å; Y159-F553 HydrophobicContact CD1-CD2 3.9Å; Y159-F553 AromaticContact CD1-CE1 3.92Å; Y159-F553 HydrophobicContact CD1-CE1 3.92Å; Y159-F553 AromaticContact CD1-CE2 3.62Å; Y159-F553 HydrophobicContact CD1-CE2 3.62Å; Y159-F553 HydrophobicContact CD1-CG 4.2Å; Y159-F553 AromaticContact CD1-CZ 3.64Å; Y159-F553 HydrophobicContact CD1-CZ 3.64Å; Y159-F553 AromaticContact CE1-CD2 3.82Å; Y159-F553 HydrophobicContact CE1-CD2 3.82Å; Y159-F553 AromaticContact CE1-CE2 3.74Å; Y159-F553 HydrophobicContact CE1-CE2 3.74Å; Y159-F553 HydrophobicContact CE1-CG 4.42Å; Y159-F553 HydrophobicContact CE1-CZ 4.24Å; W160-F553 HydrophobicContact CE3-CB 4.25Å; W160-F553 HydrophobicContact CE3-CD1 4.47Å; W160-F553 VanDerWaalsContact CH2-O 3.26Å; W160-F553 WeakPolarHBondContact CH2-O 3.42Å; W160-F553 HydrophobicContact CZ3-CB 4.3Å; W160-F553 VanDerWaalsContact CZ3-O 3.27Å; W160-F553 WeakPolarHBondContact CZ3-O 3.34Å; P161-F553 HydrophobicContact CG-CB 3.78Å; P161-F553 HydrophobicContact CG-CD2 4.39Å; P161-F553 HydrophobicContact CG-CG 4.3Å; H162-F553 PolarHBondContact CD2-O 2.82Å; H162-F553 PolarHBondContact NE2-O 2.8Å; D549-F553 HydrophobicContact CB-CD2 4.42Å; D549-F553 WeakPolarHBondContact O-CB 3.36Å; D549-F553 VanDerWaalsContact O-CD2 3.32Å; D549-F553 WeakPolarHBondContact O-CD2 3.3Å; D549-F553 PolarHBondContact O-N 3.43Å; F553-F558 HydrophobicContact CD1-CZ 4.34Å; F553-T593 HydrophobicContact CD1-CG2 4.43Å; F553-T593 HydrophobicContact CD2-CG2 4.42Å; F553-T593 HydrophobicContact CE1-CG2 3.98Å; F553-T593 WeakPolarHBondContact CE1-O 3.45Å; F553-T593 HydrophobicContact CE2-CG2 3.96Å; F553-T593 HydrophobicContact CZ-CG2 3.71Å; F553-H596 HydrophobicContact CE1-CB 4.44Å; F553-H596 HydrophobicContact CZ-CB 4.45Å
554	E	92.4	Very high	94.3	Very high	20 Å²	20	28.1 Å²	28.1	9%	0.093	14%	0.141	C	C	.	.	S	Bend	trans	-128.8	138.5	-179.6	-166.7	-171.4	161.4	0	0	109.8	H116 R119 I552 T556 Y557 F558	H116-E554 IonicContact ND1-OE1 3.95Å; R119-E554 IonicContact CZ-OE2 3.09Å; R119-E554 VanDerWaalsContact CZ-OE2 3.27Å; R119-E554 IonicContact NE-OE1 2.99Å; R119-E554 IonicContact NE-OE2 3.08Å; R119-E554 PolarHBondContact NE-OE2 3.42Å; R119-E554 IonicContact NH2-OE2 3.87Å; R119-E554 PolarHBondContact NH2-OE2 3.01Å; I552-E554 PolarHBondContact O-N 3.22Å; E554-T556 WeakPolarHBondContact CG-OG1 3.5Å; E554-T556 PolarHBondContact O-N 3.42Å; E554-T556 PolarHBondContact OE1-OG1 3.48Å; E554-T556 PolarHBondContact OE2-OG1 2.96Å; E554-Y557 WeakPolarHBondContact O-CB 3.42Å; E554-Y557 PolarHBondContact O-N 3.05Å; E554-F558 PolarHBondContact O-N 3.47Å
555	H	93	Very high	94.5	Very high	90 Å²	90	25.1 Å²	25.1	42%	0.417	13%	0.126	S	C	.	.	H	α-helix	trans	-59.7	-33.1	179.4	-63.6	-62.4	0	0	0	113.6	W160 Y557 F558 G559 E599	W160-H555 AromaticContact CH2-CD2 3.98Å; W160-H555 AromaticContact CH2-CE1 3.66Å; W160-H555 AromaticContact CH2-ND1 3.95Å; W160-H555 AromaticContact CH2-NE2 3.67Å; W160-H555 AromaticContact CZ2-CD2 3.87Å; W160-H555 AromaticContact CZ2-CE1 3.96Å; W160-H555 AromaticContact CZ2-NE2 3.52Å; H555-Y557 VanDerWaalsContact C-N 3.34Å; H555-F558 PolarHBondContact O-N 3.24Å; H555-G559 PolarHBondContact O-N 3.35Å; H555-E599 IonicContact CE1-OE2 3.65Å; H555-E599 PolarHBondContact CE1-OE2 3.31Å; H555-E599 IonicContact NE2-OE2 2.64Å; H555-E599 PolarHBondContact NE2-OE2 2.91Å
556	T	93.8	Very high	94.8	Very high	27 Å²	27	25 Å²	25	17%	0.166	13%	0.131	C	C	.	.	H	α-helix	trans	-65.4	-40	175.8	59.6	0	0	0	0	111.2	H116 E554 G559 F560	H116-T556 WeakPolarHBondContact CE1-CG2 3.46Å; H116-T556 WeakPolarHBondContact ND1-CG2 3.49Å; E554-T556 WeakPolarHBondContact CG-OG1 3.5Å; E554-T556 PolarHBondContact O-N 3.42Å; E554-T556 PolarHBondContact OE1-OG1 3.48Å; E554-T556 PolarHBondContact OE2-OG1 2.96Å; T556-G559 PolarHBondContact O-N 3.42Å; T556-F560 PolarHBondContact O-N 3.34Å
557	Y	96.1	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-43.7	174.1	-177.2	-98.6	0	0	0	111.3	F100 Y123 V144 Q147 H148 I552 E554 H555 G559 F560 M561 F589	F100-Y557 HydrophobicContact CE1-CD2 4.06Å; F100-Y557 AromaticContact CE1-CE2 3.95Å; F100-Y557 HydrophobicContact CE1-CE2 3.95Å; F100-Y557 AromaticContact CZ-CD2 3.72Å; F100-Y557 HydrophobicContact CZ-CD2 3.72Å; F100-Y557 AromaticContact CZ-CE2 3.55Å; F100-Y557 HydrophobicContact CZ-CE2 3.55Å; Y123-Y557 HydrophobicContact CE1-CD2 4.04Å; Y123-Y557 AromaticContact CZ-CD2 3.96Å; Y123-Y557 WeakPolarHBondContact OH-CD2 3.31Å; V144-Y557 WeakPolarHBondContact CG1-OH 3.32Å; Q147-Y557 PolarHBondContact OE1-OH 3.31Å; H148-Y557 AromaticContact CE1-CE1 3.74Å; H148-Y557 PolarHBondContact CE1-OH 3.1Å; H148-Y557 AromaticContact NE2-CE1 3.6Å; H148-Y557 AromaticContact NE2-CZ 3.57Å; H148-Y557 PolarHBondContact NE2-OH 3.09Å; I552-Y557 HydrophobicContact CB-CD1 4.14Å; I552-Y557 HydrophobicContact CB-CE1 3.94Å; I552-Y557 HydrophobicContact CG2-CE1 4.18Å; I552-Y557 HydrophobicContact CG2-CE2 4.47Å; I552-Y557 WeakPolarHBondContact O-CD1 3.41Å; E554-Y557 WeakPolarHBondContact O-CB 3.42Å; E554-Y557 PolarHBondContact O-N 3.05Å; H555-Y557 VanDerWaalsContact C-N 3.34Å; Y557-G559 VanDerWaalsContact C-N 3.27Å; Y557-G559 PolarHBondContact O-N 3.17Å; Y557-F560 HydrophobicContact CD2-CD1 4.09Å; Y557-F560 HydrophobicContact CE2-CD1 4.06Å; Y557-F560 HydrophobicContact CE2-CE1 4.36Å; Y557-F560 CarbonylContact O-C 3.51Å; Y557-F560 WeakPolarHBondContact O-CA 3.42Å; Y557-F560 WeakPolarHBondContact O-CB 3.1Å; Y557-F560 PolarHBondContact O-N 3.31Å; Y557-F560 VanDerWaalsContact O-N 3.08Å; Y557-M561 HydrophobicContact CD1-CG 3.9Å; Y557-M561 HydrophobicContact CE1-CG 3.5Å; Y557-M561 VanDerWaalsContact CE1-CG 3.5Å; Y557-M561 HydrophobicContact CE1-SD 4.07Å; Y557-M561 HydrophobicContact CE2-CG 4.45Å; Y557-M561 HydrophobicContact CE2-SD 4.4Å; Y557-M561 WeakPolarHBondContact O-CG 3.41Å; Y557-M561 PolarHBondContact O-N 3.23Å; Y557-F589 HydrophobicContact CD1-CE2 4.38Å; Y557-F589 HydrophobicContact CE1-CD2 4.39Å; Y557-F589 HydrophobicContact CE1-CE2 4.08Å
558	F	96.3	Very high	95.1	Very high	13 Å²	13	25.4 Å²	25.4	6%	0.057	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-38.5	175.2	-66.6	-3.6	0	0	0	112	W160 I552 F553 E554 H555 M561 W562 F589 T593 F594	W160-F558 HydrophobicContact CZ3-CE2 4.13Å; W160-F558 HydrophobicContact CZ3-CZ 4.28Å; I552-F558 WeakPolarHBondContact O-CE1 3.15Å; F553-F558 HydrophobicContact CD1-CZ 4.34Å; E554-F558 PolarHBondContact O-N 3.47Å; H555-F558 PolarHBondContact O-N 3.24Å; F558-M561 PolarHBondContact O-N 3.18Å; F558-W562 PolarHBondContact O-N 3.43Å; F558-F589 HydrophobicContact CB-CZ 4.4Å; F558-F589 AromaticContact CD1-CE2 3.74Å; F558-F589 HydrophobicContact CD1-CE2 3.74Å; F558-F589 AromaticContact CD1-CZ 3.47Å; F558-F589 HydrophobicContact CD1-CZ 3.47Å; F558-F589 VanDerWaalsContact CD1-CZ 3.47Å; F558-F589 AromaticContact CE1-CE2 3.92Å; F558-F589 HydrophobicContact CE1-CE2 3.92Å; F558-F589 AromaticContact CE1-CZ 3.9Å; F558-F589 HydrophobicContact CE1-CZ 3.9Å; F558-F589 HydrophobicContact CG-CZ 4.02Å; F558-T593 HydrophobicContact CE1-CG2 4.25Å; F558-F594 HydrophobicContact CD2-CD2 4.05Å; F558-F594 HydrophobicContact CD2-CE2 4.2Å; F558-F594 HydrophobicContact CE2-CD2 4.01Å; F558-F594 HydrophobicContact CE2-CE2 4.36Å; F558-F594 HydrophobicContact CZ-CD2 4.45Å
559	G	96.6	Very high	95.2	Very high	36 Å²	36	23.5 Å²	23.5	37%	0.371	13%	0.129	S	C	.	.	H	α-helix	trans	-63.7	-42.8	172.2	0	0	0	0	0	112.9	H555 T556 Y557 W562 Q563	H555-G559 PolarHBondContact O-N 3.35Å; T556-G559 PolarHBondContact O-N 3.42Å; Y557-G559 VanDerWaalsContact C-N 3.27Å; Y557-G559 PolarHBondContact O-N 3.17Å; G559-W562 WeakPolarHBondContact O-CB 3.46Å; G559-W562 PolarHBondContact O-N 3.33Å; G559-Q563 WeakPolarHBondContact O-CG 3.39Å; G559-Q563 PolarHBondContact O-N 3.29Å
560	F	97.6	Very high	95.3	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-46.6	173.4	165.5	-107	0	0	0	111.9	Y123 L126 V127 I140 V144 T556 Y557 W562 Q563 L564	Y123-F560 HydrophobicContact CD1-CB 3.69Å; Y123-F560 AromaticContact CD1-CD1 3.85Å; Y123-F560 HydrophobicContact CD1-CD1 3.85Å; Y123-F560 AromaticContact CD1-CD2 3.67Å; Y123-F560 HydrophobicContact CD1-CD2 3.67Å; Y123-F560 HydrophobicContact CD1-CE1 4.42Å; Y123-F560 HydrophobicContact CD1-CE2 4.27Å; Y123-F560 AromaticContact CD1-CG 3.44Å; Y123-F560 HydrophobicContact CD1-CG 3.44Å; Y123-F560 VanDerWaalsContact CD1-CG 3.44Å; Y123-F560 HydrophobicContact CD2-CB 4.48Å; Y123-F560 HydrophobicContact CE1-CB 4.2Å; Y123-F560 AromaticContact CE1-CD1 3.92Å; Y123-F560 HydrophobicContact CE1-CD1 3.92Å; Y123-F560 HydrophobicContact CE1-CE1 4.47Å; Y123-F560 AromaticContact CE1-CG 3.96Å; Y123-F560 HydrophobicContact CE1-CG 3.96Å; Y123-F560 HydrophobicContact CG-CB 3.88Å; Y123-F560 HydrophobicContact CG-CD2 4.25Å; Y123-F560 HydrophobicContact CG-CG 4.08Å; L126-F560 HydrophobicContact CB-CE2 3.98Å; L126-F560 HydrophobicContact CD1-CE2 4.21Å; L126-F560 HydrophobicContact CD1-CZ 4.19Å; V127-F560 HydrophobicContact CG2-CD2 3.67Å; V127-F560 HydrophobicContact CG2-CE2 3.9Å; I140-F560 HydrophobicContact CG1-CZ 4.21Å; V144-F560 HydrophobicContact CG2-CE1 3.98Å; V144-F560 HydrophobicContact CG2-CZ 4.3Å; T556-F560 PolarHBondContact O-N 3.34Å; Y557-F560 HydrophobicContact CD2-CD1 4.09Å; Y557-F560 HydrophobicContact CE2-CD1 4.06Å; Y557-F560 HydrophobicContact CE2-CE1 4.36Å; Y557-F560 CarbonylContact O-C 3.51Å; Y557-F560 WeakPolarHBondContact O-CA 3.42Å; Y557-F560 WeakPolarHBondContact O-CB 3.1Å; Y557-F560 PolarHBondContact O-N 3.31Å; Y557-F560 VanDerWaalsContact O-N 3.08Å; F560-W562 VanDerWaalsContact C-N 3.32Å; F560-W562 PolarHBondContact O-N 3.24Å; F560-Q563 WeakPolarHBondContact O-CB 3.2Å; F560-Q563 PolarHBondContact O-N 3.49Å; F560-Q563 VanDerWaalsContact O-N 3.16Å; F560-L564 HydrophobicContact CE1-CD2 4.41Å; F560-L564 HydrophobicContact CZ-CD2 4.19Å; F560-L564 PolarHBondContact O-N 3.38Å
561	M	97.9	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-42.4	175.8	-71.2	-55.1	-72.9	0	0	111.9	V144 Y557 F558 Q563 L564 C565 L585 F589 W606	V144-M561 HydrophobicContact CG1-CE 3.61Å; V144-M561 HydrophobicContact CG1-SD 3.32Å; V144-M561 WeakPolarHBondContact CG1-SD 3.41Å; Y557-M561 HydrophobicContact CD1-CG 3.9Å; Y557-M561 HydrophobicContact CE1-CG 3.5Å; Y557-M561 VanDerWaalsContact CE1-CG 3.5Å; Y557-M561 HydrophobicContact CE1-SD 4.07Å; Y557-M561 HydrophobicContact CE2-CG 4.45Å; Y557-M561 HydrophobicContact CE2-SD 4.4Å; Y557-M561 WeakPolarHBondContact O-CG 3.41Å; Y557-M561 PolarHBondContact O-N 3.23Å; F558-M561 PolarHBondContact O-N 3.18Å; M561-Q563 PolarHBondContact O-N 3.08Å; M561-L564 PolarHBondContact O-N 2.87Å; M561-C565 VanDerWaalsContact O-CB 3.31Å; M561-C565 WeakPolarHBondContact O-CB 3.34Å; M561-C565 PolarHBondContact O-N 3.11Å; M561-C565 PolarHBondContact O-SG 2.85Å; M561-C565 VanDerWaalsContact O-SG 3.41Å; M561-L585 HydrophobicContact CE-CD1 4.05Å; M561-L585 HydrophobicContact CE-CD2 4.46Å; M561-L585 HydrophobicContact CE-CG 4.1Å; M561-F589 HydrophobicContact CB-CD1 4.26Å; M561-F589 HydrophobicContact CB-CD2 4.36Å; M561-F589 HydrophobicContact CB-CE1 4.13Å; M561-F589 HydrophobicContact CB-CE2 4.23Å; M561-F589 HydrophobicContact CB-CG 4.37Å; M561-F589 HydrophobicContact CB-CZ 4.11Å; M561-F589 HydrophobicContact CE-CB 3.63Å; M561-F589 HydrophobicContact CE-CD1 4.49Å; M561-F589 HydrophobicContact CE-CD2 3.85Å; M561-F589 HydrophobicContact CE-CG 3.71Å; M561-F589 HydrophobicContact CG-CD2 3.87Å; M561-F589 HydrophobicContact CG-CE2 3.83Å; M561-F589 HydrophobicContact CG-CG 4.28Å; M561-F589 HydrophobicContact CG-CZ 4.21Å; M561-W606 HydrophobicContact CB-CH2 4.15Å; M561-W606 HydrophobicContact CB-CZ2 4.22Å
562	W	97.8	Very high	95.6	Very high	63 Å²	63	27.9 Å²	27.9	24%	0.239	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-46.1	174.7	179.8	-96.3	0	0	0	112	F558 G559 F560 L564 C565 S566 Q605 W606 L609	F558-W562 PolarHBondContact O-N 3.43Å; G559-W562 WeakPolarHBondContact O-CB 3.46Å; G559-W562 PolarHBondContact O-N 3.33Å; F560-W562 VanDerWaalsContact C-N 3.32Å; F560-W562 PolarHBondContact O-N 3.24Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.69Å; W562-C565 PolarHBondContact O-N 3.28Å; W562-S566 WeakPolarHBondContact O-CA 3.24Å; W562-S566 WeakPolarHBondContact O-CB 3.31Å; W562-S566 PolarHBondContact O-N 2.93Å; W562-Q605 HydrophobicContact CH2-CB 3.67Å; W562-Q605 WeakPolarHBondContact CH2-O 2.89Å; W562-Q605 HydrophobicContact CZ2-CB 4.47Å; W562-Q605 HydrophobicContact CZ3-CB 3.9Å; W562-W606 HydrophobicContact CB-CH2 4.44Å; W562-W606 HydrophobicContact CB-CZ2 3.96Å; W562-W606 AromaticContact CE3-CD2 3.88Å; W562-W606 HydrophobicContact CE3-CD2 3.88Å; W562-W606 AromaticContact CE3-CE2 3.68Å; W562-W606 HydrophobicContact CE3-CE3 4.23Å; W562-W606 HydrophobicContact CE3-CG 4.39Å; W562-W606 HydrophobicContact CE3-CH2 4.22Å; W562-W606 AromaticContact CE3-CZ2 3.86Å; W562-W606 HydrophobicContact CE3-CZ2 3.86Å; W562-W606 HydrophobicContact CE3-CZ3 4.39Å; W562-W606 HydrophobicContact CZ3-CD2 4.05Å; W562-W606 HydrophobicContact CZ3-CE3 4.35Å; W562-W606 HydrophobicContact CZ3-CG 4.27Å; W562-L609 HydrophobicContact CE3-CD2 4.14Å; W562-L609 HydrophobicContact CH2-CB 4.2Å; W562-L609 HydrophobicContact CH2-CD2 4.35Å; W562-L609 HydrophobicContact CZ3-CB 4.09Å; W562-L609 HydrophobicContact CZ3-CD2 3.84Å
563	Q	97.6	Very high	95.5	Very high	73 Å²	73	33 Å²	33	34%	0.341	20%	0.197	S	C	.	.	I	π-helix	trans	-59.6	-45.7	176.8	-69.3	-62.3	-44	0	0	111.4	V127 G559 F560 M561 C567 I568	V127-Q563 HydrophobicContact CG1-CB 4.33Å; V127-Q563 HydrophobicContact CG2-CB 3.97Å; G559-Q563 WeakPolarHBondContact O-CG 3.39Å; G559-Q563 PolarHBondContact O-N 3.29Å; F560-Q563 WeakPolarHBondContact O-CB 3.2Å; F560-Q563 PolarHBondContact O-N 3.49Å; F560-Q563 VanDerWaalsContact O-N 3.16Å; M561-Q563 PolarHBondContact O-N 3.08Å; Q563-C567 WeakPolarHBondContact O-CB 3.41Å; Q563-C567 PolarHBondContact O-N 2.64Å; Q563-I568 WeakPolarHBondContact O-CG1 3.3Å; Q563-I568 PolarHBondContact O-N 3.05Å
564	L	97	Very high	95.3	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.218	C	C	.	.	I	π-helix	trans	-65.3	-39.9	-177.7	-172.2	61.6	0	0	0	112.5	V130 Y137 I140 V144 F560 M561 W562 I568 P569 L585	V130-L564 HydrophobicContact CG1-CD1 4.5Å; Y137-L564 HydrophobicContact CD2-CD1 3.83Å; Y137-L564 HydrophobicContact CE2-CD1 3.63Å; Y137-L564 HydrophobicContact CE2-CG 4.19Å; I140-L564 HydrophobicContact CG2-CD1 3.71Å; I140-L564 HydrophobicContact CG2-CD2 4.38Å; V144-L564 HydrophobicContact CB-CD2 4.48Å; V144-L564 HydrophobicContact CG1-CD2 4.42Å; V144-L564 HydrophobicContact CG2-CD2 4.24Å; F560-L564 HydrophobicContact CE1-CD2 4.41Å; F560-L564 HydrophobicContact CZ-CD2 4.19Å; F560-L564 PolarHBondContact O-N 3.38Å; M561-L564 PolarHBondContact O-N 2.87Å; W562-L564 VanDerWaalsContact C-N 3.34Å; W562-L564 PolarHBondContact O-N 2.69Å; L564-I568 HydrophobicContact CD1-CG1 4.47Å; L564-P569 WeakPolarHBondContact O-CD 3.49Å; L564-L585 HydrophobicContact CD2-CD2 3.73Å; L564-L585 HydrophobicContact CG-CD2 4.18Å
565	C	97.1	Very high	95.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	23%	0.232	C	C	.	.	I	π-helix	trans	-88.1	-32.8	-175.9	-69.3	0	0	0	0	114.2	M561 W562 T582 S586 W606 L609 Q613	M561-C565 VanDerWaalsContact O-CB 3.31Å; M561-C565 WeakPolarHBondContact O-CB 3.34Å; M561-C565 PolarHBondContact O-N 3.11Å; M561-C565 PolarHBondContact O-SG 2.85Å; M561-C565 VanDerWaalsContact O-SG 3.41Å; W562-C565 PolarHBondContact O-N 3.28Å; C565-T582 VanDerWaalsContact O-CG2 3.24Å; C565-T582 WeakPolarHBondContact O-CG2 3.49Å; C565-S586 VanDerWaalsContact CB-OG 3.24Å; C565-S586 WeakPolarHBondContact CB-OG 3.39Å; C565-S586 PolarHBondContact SG-OG 3.45Å; C565-S586 VanDerWaalsContact SG-OG 3.34Å; C565-W606 HydrophobicContact CB-CH2 4.08Å; C565-W606 HydrophobicContact CB-CZ3 3.94Å; C565-L609 HydrophobicContact CB-CD2 4.12Å; C565-Q613 PolarHBondContact O-NE2 2.92Å
566	S	95.9	Very high	95	Very high	39 Å²	39	43 Å²	43	27%	0.273	25%	0.249	S	C	.	.	I	π-helix	trans	-101.7	-46.5	-172.8	-168.5	0	0	0	0	112.7	W562	W562-S566 WeakPolarHBondContact O-CA 3.24Å; W562-S566 WeakPolarHBondContact O-CB 3.31Å; W562-S566 PolarHBondContact O-N 2.93Å
567	C	95	Very high	94.8	Very high	42 Å²	42	44.5 Å²	44.5	28%	0.284	26%	0.263	S	S	.	.	I	π-helix	trans	-92.7	-51.4	-169.3	-58.1	0	0	0	0	112.2	Q563 P569 S570	Q563-C567 WeakPolarHBondContact O-CB 3.41Å; Q563-C567 PolarHBondContact O-N 2.64Å; C567-P569 VanDerWaalsContact C-CD 3.48Å; C567-S570 PolarHBondContact O-N 3.41Å; C567-S570 PolarHBondContact O-OG 3.42Å
568	I	96.1	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.3	-44.9	-174.3	-69.8	-58.9	0	0	0	114.3	V127 V130 K131 Y137 Q563 L564 S570 T571	V127-I568 HydrophobicContact CG1-CD1 3.93Å; V130-I568 HydrophobicContact CG1-CG2 3.67Å; K131-I568 HydrophobicContact CB-CD1 4.31Å; K131-I568 HydrophobicContact CD-CD1 4.39Å; K131-I568 HydrophobicContact CG-CD1 3.29Å; Y137-I568 HydrophobicContact CD2-CG2 3.55Å; Y137-I568 HydrophobicContact CE2-CG2 3.88Å; Y137-I568 HydrophobicContact CG-CG2 4.43Å; Q563-I568 WeakPolarHBondContact O-CG1 3.3Å; Q563-I568 PolarHBondContact O-N 3.05Å; L564-I568 HydrophobicContact CD1-CG1 4.47Å; I568-S570 PolarHBondContact O-N 3.34Å; I568-S570 VanDerWaalsContact O-N 3.11Å; I568-T571 WeakPolarHBondContact O-CB 3.4Å; I568-T571 PolarHBondContact O-N 2.95Å; I568-T571 PolarHBondContact O-OG1 3.27Å
569	P	95.2	Very high	94.5	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.104	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32.3	-175.7	-25.7	34.9	0	0	0	113	L564 C567 T571 L572 P575 V578 T582	L564-P569 WeakPolarHBondContact O-CD 3.49Å; C567-P569 VanDerWaalsContact C-CD 3.48Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.14Å; P569-L572 PolarHBondContact O-N 2.85Å; P569-P575 WeakPolarHBondContact O-CB 3.46Å; P569-V578 HydrophobicContact CB-CG2 4.38Å; P569-T582 HydrophobicContact CB-CG2 4.41Å; P569-T582 HydrophobicContact CG-CG2 3.49Å; P569-T582 VanDerWaalsContact CG-CG2 3.49Å
570	S	94.2	Very high	94.5	Very high	92 Å²	92	46.3 Å²	46.3	64%	0.643	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18	177.3	72.7	0	0	0	0	114.1	C567 I568	C567-S570 PolarHBondContact O-N 3.41Å; C567-S570 PolarHBondContact O-OG 3.42Å; I568-S570 PolarHBondContact O-N 3.34Å; I568-S570 VanDerWaalsContact O-N 3.11Å
571	T	95.4	Very high	94.4	Very high	58 Å²	58	48 Å²	48	36%	0.356	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-87.7	-12.3	179	74.3	0	0	0	0	113.2	K131 G132 I568 P569	K131-T571 HydrophobicContact CG-CG2 4.45Å; G132-T571 WeakPolarHBondContact CA-O 3.36Å; G132-T571 PolarHBondContact N-OG1 3.38Å; I568-T571 WeakPolarHBondContact O-CB 3.4Å; I568-T571 PolarHBondContact O-N 2.95Å; I568-T571 PolarHBondContact O-OG1 3.27Å; P569-T571 VanDerWaalsContact C-N 3.25Å; P569-T571 PolarHBondContact O-N 3.14Å
572	L	94.9	Very high	94.3	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	28%	0.277	C	S	.	.	S	Bend	trans	-80.4	151.7	-175.8	-60.4	179.8	0	0	0	111.3	V134 Y137 P569 D574 V578	V134-L572 HydrophobicContact CG2-CB 4.37Å; V134-L572 HydrophobicContact CG2-CD2 4.43Å; Y137-L572 HydrophobicContact CD1-CD1 3.95Å; Y137-L572 HydrophobicContact CG-CD1 3.96Å; P569-L572 PolarHBondContact O-N 2.85Å; L572-D574 VanDerWaalsContact C-N 3.3Å; L572-D574 PolarHBondContact O-N 3.22Å; L572-V578 HydrophobicContact CD1-CB 4.44Å; L572-V578 HydrophobicContact CD1-CG1 4.03Å; L572-V578 HydrophobicContact CD1-CG2 3.79Å
573	P	91.9	Very high	94.2	Very high	108 Å²	108	45.2 Å²	45.2	70%	0.701	27%	0.266	S	S	*	.	S	Bend	trans	-58.5	-37	179.9	-25	34	0	0	0	114.3
574	D	90.6	Very high	94.1	Very high	82 Å²	82	44.7 Å²	44.7	44%	0.439	26%	0.263	S	S	.	.			trans	-129.6	93.2	174.3	-177.7	3.7	0	0	0	110.7	L572 K576 A577	L572-D574 VanDerWaalsContact C-N 3.3Å; L572-D574 PolarHBondContact O-N 3.22Å; D574-K576 PolarHBondContact O-N 3.41Å; D574-K576 WeakPolarHBondContact OD1-CB 3.33Å; D574-K576 PolarHBondContact OD1-N 3.32Å; D574-A577 HydrophobicContact CB-CB 4.21Å; D574-A577 PolarHBondContact O-N 3.06Å; D574-A577 PolarHBondContact OD1-N 3.4Å; D574-A577 WeakPolarHBondContact OD2-CB 3.19Å
575	P	88.8	Confident	94.1	Very high	60 Å²	60	44.7 Å²	44.7	39%	0.39	26%	0.262	S	S	.	.	S	Bend	trans	-64.6	-23.9	177.9	-24.3	35.3	0	0	0	113.9	P569 V578 S579	P569-P575 WeakPolarHBondContact O-CB 3.46Å; P575-V578 WeakPolarHBondContact O-CG2 3.01Å; P575-S579 PolarHBondContact O-N 2.76Å
576	K	88.8	Confident	94.1	Very high	177 Å²	177	44.6 Å²	44.6	77%	0.77	26%	0.262	S	S	*	.	S	Bend	trans	-74.1	-35.9	-179.1	-68.5	-175.9	178.1	-179	0	111.4	D574 V578 S579	D574-K576 PolarHBondContact O-N 3.41Å; D574-K576 WeakPolarHBondContact OD1-CB 3.33Å; D574-K576 PolarHBondContact OD1-N 3.32Å; K576-V578 PolarHBondContact O-N 2.89Å; K576-V578 VanDerWaalsContact O-N 3.13Å; K576-S579 PolarHBondContact O-N 3.19Å; K576-S579 PolarHBondContact O-OG 3.11Å
577	A	89.8	Confident	94.1	Very high	58 Å²	58	42.7 Å²	42.7	48%	0.479	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.3	177.8	0	0	0	0	0	113.8	D574	D574-A577 HydrophobicContact CB-CB 4.21Å; D574-A577 PolarHBondContact O-N 3.06Å; D574-A577 PolarHBondContact OD1-N 3.4Å; D574-A577 WeakPolarHBondContact OD2-CB 3.19Å
578	V	93.3	Very high	94	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	3.3	-179.4	-60.1	0	0	0	0	113.6	V134 Y137 P569 L572 P575 K576 L580 M581 T582	V134-V578 HydrophobicContact CG1-CG1 4.25Å; Y137-V578 HydrophobicContact CD1-CB 4.21Å; Y137-V578 HydrophobicContact CD1-CG1 3.96Å; Y137-V578 HydrophobicContact CE1-CB 3.87Å; Y137-V578 HydrophobicContact CE1-CG1 4.14Å; Y137-V578 HydrophobicContact CE1-CG2 4.32Å; P569-V578 HydrophobicContact CB-CG2 4.38Å; L572-V578 HydrophobicContact CD1-CB 4.44Å; L572-V578 HydrophobicContact CD1-CG1 4.03Å; L572-V578 HydrophobicContact CD1-CG2 3.79Å; P575-V578 WeakPolarHBondContact O-CG2 3.01Å; K576-V578 PolarHBondContact O-N 2.89Å; K576-V578 VanDerWaalsContact O-N 3.13Å; V578-L580 PolarHBondContact O-N 3.21Å; V578-M581 PolarHBondContact O-N 2.82Å; V578-T582 WeakPolarHBondContact O-CB 3.41Å; V578-T582 PolarHBondContact O-N 2.99Å; V578-T582 PolarHBondContact O-OG1 2.9Å
579	S	94.1	Very high	94	Very high	31 Å²	31	40.9 Å²	40.9	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-44.7	-173.4	64	0	0	0	0	112.1	P575 K576 T582 A583 S617	P575-S579 PolarHBondContact O-N 2.76Å; K576-S579 PolarHBondContact O-N 3.19Å; K576-S579 PolarHBondContact O-OG 3.11Å; S579-T582 PolarHBondContact O-N 3.06Å; S579-A583 WeakPolarHBondContact O-CB 3.36Å; S579-A583 PolarHBondContact O-N 3.45Å; S579-S617 PolarHBondContact OG-OG 3.12Å
580	L	95.4	Very high	94	Very high	56 Å²	56	40.3 Å²	40.3	29%	0.293	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-47.6	177.1	178.1	60	0	0	0	111.4	V578 T582 A583 K584 A619 A620 W623	V578-L580 PolarHBondContact O-N 3.21Å; L580-T582 VanDerWaalsContact C-N 3.34Å; L580-T582 PolarHBondContact O-N 2.79Å; L580-A583 PolarHBondContact O-N 3.36Å; L580-K584 HydrophobicContact CD1-CD 4.47Å; L580-K584 HydrophobicContact CD1-CG 4.32Å; L580-K584 HydrophobicContact CG-CD 4.44Å; L580-K584 WeakPolarHBondContact O-CG 3.06Å; L580-K584 PolarHBondContact O-N 3.34Å; L580-A619 HydrophobicContact CD1-CB 4.35Å; L580-A619 HydrophobicContact CD2-CB 4.34Å; L580-A620 HydrophobicContact CD1-CB 3.85Å; L580-W623 HydrophobicContact CD1-CB 4.44Å
581	M	95	Very high	93.8	Very high	42 Å²	42	36.3 Å²	36.3	21%	0.207	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-47.8	178.8	-65.4	-176.8	66.7	0	0	111.2	R138 H141 V578 A583 K584 L585	R138-M581 HydrophobicContact CB-CE 4.43Å; R138-M581 HydrophobicContact CG-CE 4Å; R138-M581 HydrophobicContact CG-SD 4.21Å; H141-M581 HydrophobicContact CB-CE 4.22Å; H141-M581 WeakPolarHBondContact ND1-CE 3.45Å; H141-M581 PolarHBondContact NE2-O 3.18Å; V578-M581 PolarHBondContact O-N 2.82Å; M581-A583 VanDerWaalsContact C-N 3.35Å; M581-A583 PolarHBondContact O-N 3.12Å; M581-K584 WeakPolarHBondContact O-CB 3.5Å; M581-K584 PolarHBondContact O-N 3.06Å; M581-L585 PolarHBondContact O-N 3.1Å
582	T	95.9	Very high	93.6	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-42.6	-179.8	-48.8	0	0	0	0	111.8	Y137 C565 P569 V578 S579 L580 L585 S586	Y137-T582 WeakPolarHBondContact OH-CB 3.33Å; Y137-T582 WeakPolarHBondContact OH-CG2 3.37Å; Y137-T582 PolarHBondContact OH-OG1 2.91Å; C565-T582 VanDerWaalsContact O-CG2 3.24Å; C565-T582 WeakPolarHBondContact O-CG2 3.49Å; P569-T582 HydrophobicContact CB-CG2 4.41Å; P569-T582 HydrophobicContact CG-CG2 3.49Å; P569-T582 VanDerWaalsContact CG-CG2 3.49Å; V578-T582 WeakPolarHBondContact O-CB 3.41Å; V578-T582 PolarHBondContact O-N 2.99Å; V578-T582 PolarHBondContact O-OG1 2.9Å; S579-T582 PolarHBondContact O-N 3.06Å; L580-T582 VanDerWaalsContact C-N 3.34Å; L580-T582 PolarHBondContact O-N 2.79Å; T582-L585 PolarHBondContact O-N 3.46Å; T582-S586 WeakPolarHBondContact O-CB 3.4Å; T582-S586 PolarHBondContact O-N 3.03Å; T582-S586 PolarHBondContact O-OG 2.94Å
583	A	96.7	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-45.1	176.6	0	0	0	0	0	111.3	S579 L580 M581 L585 S586 T587 Q613 A620	S579-A583 WeakPolarHBondContact O-CB 3.36Å; S579-A583 PolarHBondContact O-N 3.45Å; L580-A583 PolarHBondContact O-N 3.36Å; M581-A583 VanDerWaalsContact C-N 3.35Å; M581-A583 PolarHBondContact O-N 3.12Å; A583-L585 PolarHBondContact O-N 3.19Å; A583-S586 PolarHBondContact O-N 3.03Å; A583-T587 WeakPolarHBondContact O-CB 3.4Å; A583-T587 PolarHBondContact O-N 3.2Å; A583-T587 PolarHBondContact O-OG1 3.46Å; A583-Q613 HydrophobicContact CB-CB 4.2Å; A583-A620 HydrophobicContact CB-CB 3.59Å
584	K	95.8	Very high	93.6	Very high	63 Å²	63	28.4 Å²	28.4	27%	0.274	15%	0.153	S	C	.	.	H	α-helix	trans	-56.1	-50.8	176	-72.1	-174.3	177.6	-164.6	0	112	L580 M581 S586 T587 S588 W623	L580-K584 HydrophobicContact CD1-CD 4.47Å; L580-K584 HydrophobicContact CD1-CG 4.32Å; L580-K584 HydrophobicContact CG-CD 4.44Å; L580-K584 WeakPolarHBondContact O-CG 3.06Å; L580-K584 PolarHBondContact O-N 3.34Å; M581-K584 WeakPolarHBondContact O-CB 3.5Å; M581-K584 PolarHBondContact O-N 3.06Å; K584-S586 PolarHBondContact O-N 2.7Å; K584-T587 PolarHBondContact O-N 2.73Å; K584-S588 WeakPolarHBondContact O-CB 3.48Å; K584-S588 PolarHBondContact O-N 3.29Å; K584-S588 PolarHBondContact O-OG 3.24Å; K584-W623 HydrophobicContact CB-CH2 3.99Å; K584-W623 HydrophobicContact CB-CZ2 4.2Å; K584-W623 HydrophobicContact CB-CZ3 4.22Å; K584-W623 HydrophobicContact CD-CD2 4.1Å; K584-W623 HydrophobicContact CD-CG 4.44Å; K584-W623 HydrophobicContact CD-CZ2 4.2Å; K584-W623 VanDerWaalsContact CE-CD1 3.43Å; K584-W623 VanDerWaalsContact CE-CG 3.44Å; K584-W623 HydrophobicContact CG-CD2 3.67Å; K584-W623 HydrophobicContact CG-CE3 3.72Å; K584-W623 HydrophobicContact CG-CG 4.39Å; K584-W623 HydrophobicContact CG-CH2 3.82Å; K584-W623 HydrophobicContact CG-CZ2 3.77Å; K584-W623 HydrophobicContact CG-CZ3 3.8Å
585	L	96.8	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-44.4	179.6	-178.2	62.4	0	0	0	112.3	V144 M145 M561 L564 M581 T582 A583 S588 F589	V144-L585 HydrophobicContact CB-CD1 4.43Å; V144-L585 HydrophobicContact CG1-CD1 3.96Å; M145-L585 HydrophobicContact CB-CD1 4.15Å; M145-L585 HydrophobicContact SD-CD1 4.04Å; M561-L585 HydrophobicContact CE-CD1 4.05Å; M561-L585 HydrophobicContact CE-CD2 4.46Å; M561-L585 HydrophobicContact CE-CG 4.1Å; L564-L585 HydrophobicContact CD2-CD2 3.73Å; L564-L585 HydrophobicContact CG-CD2 4.18Å; M581-L585 PolarHBondContact O-N 3.1Å; T582-L585 PolarHBondContact O-N 3.46Å; A583-L585 PolarHBondContact O-N 3.19Å; L585-S588 PolarHBondContact O-N 3.45Å; L585-F589 WeakPolarHBondContact O-CB 3.47Å; L585-F589 PolarHBondContact O-N 2.94Å
586	S	97.4	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-43.8	179.3	-54.5	0	0	0	0	111.3	C565 T582 A583 K584 V590 Q613	C565-S586 VanDerWaalsContact CB-OG 3.24Å; C565-S586 WeakPolarHBondContact CB-OG 3.39Å; C565-S586 PolarHBondContact SG-OG 3.45Å; C565-S586 VanDerWaalsContact SG-OG 3.34Å; T582-S586 WeakPolarHBondContact O-CB 3.4Å; T582-S586 PolarHBondContact O-N 3.03Å; T582-S586 PolarHBondContact O-OG 2.94Å; A583-S586 PolarHBondContact O-N 3.03Å; K584-S586 PolarHBondContact O-N 2.7Å; S586-V590 WeakPolarHBondContact O-CB 3.48Å; S586-V590 VanDerWaalsContact O-CG2 3.27Å; S586-V590 WeakPolarHBondContact O-CG2 3.42Å; S586-V590 PolarHBondContact O-N 3.13Å; S586-Q613 VanDerWaalsContact CB-OE1 3.22Å; S586-Q613 PolarHBondContact OG-NE2 3.32Å; S586-Q613 PolarHBondContact OG-OE1 3.48Å; S586-Q613 VanDerWaalsContact OG-OE1 3.13Å
587	T	95	Very high	94.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64	-50.5	177	-63.9	0	0	0	0	110.9	A583 K584 F589 V590 L591 W623 F624	A583-T587 WeakPolarHBondContact O-CB 3.4Å; A583-T587 PolarHBondContact O-N 3.2Å; A583-T587 PolarHBondContact O-OG1 3.46Å; K584-T587 PolarHBondContact O-N 2.73Å; T587-F589 PolarHBondContact O-N 3.39Å; T587-V590 PolarHBondContact O-N 3.16Å; T587-L591 HydrophobicContact CG2-CD1 3.71Å; T587-L591 HydrophobicContact CG2-CG 4.18Å; T587-L591 WeakPolarHBondContact O-CB 2.88Å; T587-L591 WeakPolarHBondContact O-CG 3.24Å; T587-L591 PolarHBondContact O-N 2.96Å; T587-W623 HydrophobicContact CG2-CH2 4.23Å; T587-W623 HydrophobicContact CG2-CZ3 4.05Å; T587-F624 HydrophobicContact CG2-CD2 3.73Å; T587-F624 HydrophobicContact CG2-CE2 3.87Å
588	S	93.9	Very high	94.2	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-46.4	179.6	-73.5	0	0	0	0	111.7	M145 K584 L585 V590 L591 E592	M145-S588 WeakPolarHBondContact CE-OG 3.49Å; K584-S588 WeakPolarHBondContact O-CB 3.48Å; K584-S588 PolarHBondContact O-N 3.29Å; K584-S588 PolarHBondContact O-OG 3.24Å; L585-S588 PolarHBondContact O-N 3.45Å; S588-V590 VanDerWaalsContact C-N 3.35Å; S588-V590 PolarHBondContact O-N 3.02Å; S588-L591 PolarHBondContact O-N 3.34Å; S588-E592 WeakPolarHBondContact O-CA 3.27Å; S588-E592 WeakPolarHBondContact O-CB 3.45Å; S588-E592 WeakPolarHBondContact O-CG 3.38Å; S588-E592 PolarHBondContact O-N 3.02Å
589	F	95.5	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.9	171.5	-107.4	0	0	0	112.8	H148 Y557 F558 M561 L585 T587 T593 F594 W606	H148-F589 AromaticContact CE1-CD2 3.59Å; H148-F589 AromaticContact NE2-CD2 3.64Å; Y557-F589 HydrophobicContact CD1-CE2 4.38Å; Y557-F589 HydrophobicContact CE1-CD2 4.39Å; Y557-F589 HydrophobicContact CE1-CE2 4.08Å; F558-F589 HydrophobicContact CB-CZ 4.4Å; F558-F589 AromaticContact CD1-CE2 3.74Å; F558-F589 HydrophobicContact CD1-CE2 3.74Å; F558-F589 AromaticContact CD1-CZ 3.47Å; F558-F589 HydrophobicContact CD1-CZ 3.47Å; F558-F589 VanDerWaalsContact CD1-CZ 3.47Å; F558-F589 AromaticContact CE1-CE2 3.92Å; F558-F589 HydrophobicContact CE1-CE2 3.92Å; F558-F589 AromaticContact CE1-CZ 3.9Å; F558-F589 HydrophobicContact CE1-CZ 3.9Å; F558-F589 HydrophobicContact CG-CZ 4.02Å; M561-F589 HydrophobicContact CB-CD1 4.26Å; M561-F589 HydrophobicContact CB-CD2 4.36Å; M561-F589 HydrophobicContact CB-CE1 4.13Å; M561-F589 HydrophobicContact CB-CE2 4.23Å; M561-F589 HydrophobicContact CB-CG 4.37Å; M561-F589 HydrophobicContact CB-CZ 4.11Å; M561-F589 HydrophobicContact CE-CB 3.63Å; M561-F589 HydrophobicContact CE-CD1 4.49Å; M561-F589 HydrophobicContact CE-CD2 3.85Å; M561-F589 HydrophobicContact CE-CG 3.71Å; M561-F589 HydrophobicContact CG-CD2 3.87Å; M561-F589 HydrophobicContact CG-CE2 3.83Å; M561-F589 HydrophobicContact CG-CG 4.28Å; M561-F589 HydrophobicContact CG-CZ 4.21Å; L585-F589 WeakPolarHBondContact O-CB 3.47Å; L585-F589 PolarHBondContact O-N 2.94Å; T587-F589 PolarHBondContact O-N 3.39Å; F589-T593 HydrophobicContact CE2-CG2 4.22Å; F589-T593 WeakPolarHBondContact O-CB 3.35Å; F589-T593 PolarHBondContact O-N 3.21Å; F589-T593 VanDerWaalsContact O-N 3.16Å; F589-F594 HydrophobicContact CD1-CB 4.33Å; F589-F594 HydrophobicContact CE1-CB 3.81Å; F589-F594 HydrophobicContact CE1-CD2 4.25Å; F589-F594 HydrophobicContact CE1-CG 4.18Å; F589-F594 HydrophobicContact CZ-CB 3.94Å; F589-F594 HydrophobicContact CZ-CD2 4.21Å; F589-F594 HydrophobicContact CZ-CG 4.42Å; F589-F594 PolarHBondContact O-N 3.2Å; F589-W606 AromaticContact CD1-CH2 3.7Å; F589-W606 HydrophobicContact CD1-CH2 3.7Å; F589-W606 AromaticContact CD1-CZ2 3.76Å; F589-W606 HydrophobicContact CD1-CZ2 3.76Å; F589-W606 HydrophobicContact CD1-CZ3 4.09Å; F589-W606 HydrophobicContact CE1-CD2 4.41Å; F589-W606 AromaticContact CE1-CE2 3.69Å; F589-W606 AromaticContact CE1-CH2 3.84Å; F589-W606 HydrophobicContact CE1-CH2 3.84Å; F589-W606 AromaticContact CE1-CZ2 3.38Å; F589-W606 HydrophobicContact CE1-CZ2 3.38Å; F589-W606 HydrophobicContact CZ-CZ2 4.42Å
590	V	94.4	Very high	93.6	Very high	5 Å²	5	20 Å²	20	3%	0.03	9%	0.094	C	C	.	.	I	π-helix	trans	-63.5	-50.5	-178.3	169.4	0	0	0	0	110.7	S586 T587 S588 F594 I595 W606 L610	S586-V590 WeakPolarHBondContact O-CB 3.48Å; S586-V590 VanDerWaalsContact O-CG2 3.27Å; S586-V590 WeakPolarHBondContact O-CG2 3.42Å; S586-V590 PolarHBondContact O-N 3.13Å; T587-V590 PolarHBondContact O-N 3.16Å; S588-V590 VanDerWaalsContact C-N 3.35Å; S588-V590 PolarHBondContact O-N 3.02Å; V590-F594 PolarHBondContact O-N 3.39Å; V590-I595 HydrophobicContact CG1-CG2 4.02Å; V590-I595 WeakPolarHBondContact O-CG1 3.45Å; V590-I595 WeakPolarHBondContact O-CG2 3.15Å; V590-I595 PolarHBondContact O-N 2.96Å; V590-W606 HydrophobicContact CG2-CB 4.06Å; V590-W606 HydrophobicContact CG2-CD2 4.02Å; V590-W606 HydrophobicContact CG2-CE3 3.79Å; V590-W606 HydrophobicContact CG2-CG 4.16Å; V590-L610 HydrophobicContact CB-CD1 4.18Å; V590-L610 HydrophobicContact CG1-CD1 4.21Å; V590-L610 HydrophobicContact CG2-CD1 4.02Å
591	L	91	Very high	93.3	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	11%	0.112	C	C	.	.	I	π-helix	trans	-77	-37.5	-173.3	-59.5	-175.3	0	0	0	113.3	T587 S588 I595 H596 F624 M628 W634 I638 F651	T587-L591 HydrophobicContact CG2-CD1 3.71Å; T587-L591 HydrophobicContact CG2-CG 4.18Å; T587-L591 WeakPolarHBondContact O-CB 2.88Å; T587-L591 WeakPolarHBondContact O-CG 3.24Å; T587-L591 PolarHBondContact O-N 2.96Å; S588-L591 PolarHBondContact O-N 3.34Å; L591-I595 WeakPolarHBondContact O-CD1 3.09Å; L591-I595 WeakPolarHBondContact O-CG1 3.38Å; L591-H596 PolarHBondContact O-NE2 3Å; L591-F624 HydrophobicContact CD1-CE2 4.19Å; L591-M628 HydrophobicContact CD1-CE 3.34Å; L591-W634 HydrophobicContact CD1-CD2 4.01Å; L591-W634 HydrophobicContact CD1-CE3 4.11Å; L591-W634 HydrophobicContact CD1-CG 4.39Å; L591-W634 HydrophobicContact CD1-CZ2 4.48Å; L591-W634 HydrophobicContact CD1-CZ3 4.28Å; L591-I638 HydrophobicContact CD2-CD1 3.73Å; L591-F651 HydrophobicContact CD1-CE2 4.39Å; L591-F651 HydrophobicContact CD2-CD2 3.95Å; L591-F651 HydrophobicContact CD2-CE2 4.05Å
592	E	90.5	Very high	93.2	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.028	12%	0.115	C	C	.	.	I	π-helix	trans	-89.7	-16.3	-172.8	-56.8	-82	-141.4	0	0	112.7	H148 Q150 Y155 S588 W634	H148-E592 WeakPolarHBondContact O-CG 3.46Å; Q150-E592 VanDerWaalsContact CD-OE2 3.23Å; Q150-E592 PolarHBondContact NE2-OE2 3.32Å; Y155-E592 WeakPolarHBondContact CD2-O 3.43Å; Y155-E592 WeakPolarHBondContact CE2-O 3.37Å; S588-E592 WeakPolarHBondContact O-CA 3.27Å; S588-E592 WeakPolarHBondContact O-CB 3.45Å; S588-E592 WeakPolarHBondContact O-CG 3.38Å; S588-E592 PolarHBondContact O-N 3.02Å; E592-W634 HydrophobicContact CG-CZ2 3.9Å; E592-W634 VanDerWaalsContact OE1-CZ2 3.26Å; E592-W634 WeakPolarHBondContact OE1-CZ2 3.37Å; E592-W634 PolarHBondContact OE2-NE1 3.17Å; E592-W634 VanDerWaalsContact OE2-NE1 3.14Å
593	T	92.5	Very high	92.9	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.118	C	C	.	.	I	π-helix	trans	-139.1	-58.9	-171.9	-53.6	0	0	0	0	112	H148 I552 F553 F558 F589 I595 H596 S597	H148-T593 PolarHBondContact CE1-OG1 3.09Å; H148-T593 PolarHBondContact ND1-OG1 3.36Å; I552-T593 HydrophobicContact CD1-CG2 4.18Å; I552-T593 HydrophobicContact CG1-CG2 4.43Å; F553-T593 HydrophobicContact CD1-CG2 4.43Å; F553-T593 HydrophobicContact CD2-CG2 4.42Å; F553-T593 HydrophobicContact CE1-CG2 3.98Å; F553-T593 WeakPolarHBondContact CE1-O 3.45Å; F553-T593 HydrophobicContact CE2-CG2 3.96Å; F553-T593 HydrophobicContact CZ-CG2 3.71Å; F558-T593 HydrophobicContact CE1-CG2 4.25Å; F589-T593 HydrophobicContact CE2-CG2 4.22Å; F589-T593 WeakPolarHBondContact O-CB 3.35Å; F589-T593 PolarHBondContact O-N 3.21Å; F589-T593 VanDerWaalsContact O-N 3.16Å; T593-I595 PolarHBondContact O-N 3.39Å; T593-H596 PolarHBondContact O-N 3.43Å; T593-H596 VanDerWaalsContact O-N 3.14Å; T593-S597 PolarHBondContact O-N 2.73Å
594	F	94.6	Very high	92.7	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.147	C	C	.	.	I	π-helix	trans	-65	-40.9	-168.5	-178.1	-106.7	0	0	0	113.6	F558 F589 V590 H596 S597 K600 M603 W606	F558-F594 HydrophobicContact CD2-CD2 4.05Å; F558-F594 HydrophobicContact CD2-CE2 4.2Å; F558-F594 HydrophobicContact CE2-CD2 4.01Å; F558-F594 HydrophobicContact CE2-CE2 4.36Å; F558-F594 HydrophobicContact CZ-CD2 4.45Å; F589-F594 HydrophobicContact CD1-CB 4.33Å; F589-F594 HydrophobicContact CE1-CB 3.81Å; F589-F594 HydrophobicContact CE1-CD2 4.25Å; F589-F594 HydrophobicContact CE1-CG 4.18Å; F589-F594 HydrophobicContact CZ-CB 3.94Å; F589-F594 HydrophobicContact CZ-CD2 4.21Å; F589-F594 HydrophobicContact CZ-CG 4.42Å; F589-F594 PolarHBondContact O-N 3.2Å; V590-F594 PolarHBondContact O-N 3.39Å; F594-H596 PolarHBondContact O-N 3.26Å; F594-S597 WeakPolarHBondContact O-CB 3.33Å; F594-S597 PolarHBondContact O-N 2.92Å; F594-K600 HydrophobicContact CE1-CB 4.34Å; F594-K600 HydrophobicContact CZ-CB 4.07Å; F594-M603 HydrophobicContact CE1-CB 3.87Å; F594-M603 HydrophobicContact CE1-CG 4.23Å; F594-M603 HydrophobicContact CZ-CB 4.31Å; F594-W606 AromaticContact CE1-CD1 3.84Å; F594-W606 HydrophobicContact CE1-CG 4.47Å; F594-W606 AromaticContact CZ-CD1 3.81Å
595	I	92.9	Very high	92.7	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.051	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.1	179	63.9	171.8	0	0	0	113.4	W157 V590 L591 T593 K600 I638 V647	W157-I595 HydrophobicContact CH2-CD1 4.37Å; W157-I595 HydrophobicContact CZ3-CD1 4.29Å; W157-I595 HydrophobicContact CZ3-CG1 4.31Å; V590-I595 HydrophobicContact CG1-CG2 4.02Å; V590-I595 WeakPolarHBondContact O-CG1 3.45Å; V590-I595 WeakPolarHBondContact O-CG2 3.15Å; V590-I595 PolarHBondContact O-N 2.96Å; L591-I595 WeakPolarHBondContact O-CD1 3.09Å; L591-I595 WeakPolarHBondContact O-CG1 3.38Å; T593-I595 PolarHBondContact O-N 3.39Å; I595-K600 WeakPolarHBondContact O-CE 3.5Å; I595-I638 HydrophobicContact CD1-CD1 3.72Å; I595-I638 HydrophobicContact CD1-CG1 3.79Å; I595-V647 HydrophobicContact CB-CG1 3.94Å; I595-V647 HydrophobicContact CB-CG2 4.36Å; I595-V647 HydrophobicContact CD1-CG1 4.09Å; I595-V647 HydrophobicContact CG2-CG1 3.99Å
596	H	92.7	Very high	92.7	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-23.1	176	-68.6	-85.2	0	0	0	112.2	Y155 W157 D158 Y159 F553 L591 T593 F594 K598	Y155-H596 PolarHBondContact O-CE1 3.33Å; Y155-H596 PolarHBondContact O-ND1 2.99Å; W157-H596 AromaticContact CE3-ND1 3.74Å; W157-H596 AromaticContact CH2-CE1 3.62Å; W157-H596 AromaticContact CZ3-CE1 3.65Å; W157-H596 AromaticContact CZ3-ND1 3.7Å; D158-H596 CarbonylContact C-O 3.36Å; D158-H596 WeakPolarHBondContact CA-O 3.37Å; D158-H596 PolarHBondContact N-O 3.12Å; Y159-H596 PolarHBondContact N-O 3.24Å; F553-H596 HydrophobicContact CE1-CB 4.44Å; F553-H596 HydrophobicContact CZ-CB 4.45Å; L591-H596 PolarHBondContact O-NE2 3Å; T593-H596 PolarHBondContact O-N 3.43Å; T593-H596 VanDerWaalsContact O-N 3.14Å; F594-H596 PolarHBondContact O-N 3.26Å; H596-K598 PolarHBondContact O-N 3.47Å
597	S	93.6	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-60.9	134.8	-179.3	179.2	0	0	0	0	112.1	Y159 W160 T593 F594 E599 K600	Y159-S597 WeakPolarHBondContact O-CA 3.49Å; W160-S597 VanDerWaalsContact CZ3-OG 3.28Å; W160-S597 WeakPolarHBondContact CZ3-OG 3.42Å; T593-S597 PolarHBondContact O-N 2.73Å; F594-S597 WeakPolarHBondContact O-CB 3.33Å; F594-S597 PolarHBondContact O-N 2.92Å; S597-E599 VanDerWaalsContact C-N 3.26Å; S597-E599 PolarHBondContact O-N 2.88Å; S597-E599 PolarHBondContact OG-O 3.49Å; S597-K600 WeakPolarHBondContact O-CE 3.4Å; S597-K600 WeakPolarHBondContact O-CG 3.5Å; S597-K600 PolarHBondContact O-NZ 3.42Å
598	K	91.1	Very high	92.6	Very high	91 Å²	91	37.7 Å²	37.7	40%	0.396	19%	0.191	S	C	.	.	S	Bend	trans	-47.1	-47.9	173.2	-167.4	173.3	-174.7	178.2	0	113.1	D158 Y159 W160 E163 H596 K600	D158-K598 HydrophobicContact CB-CB 4.38Å; D158-K598 HydrophobicContact CB-CG 4.31Å; D158-K598 WeakPolarHBondContact O-CB 3.39Å; Y159-K598 PolarHBondContact O-N 2.96Å; Y159-K598 VanDerWaalsContact O-N 3.08Å; W160-K598 HydrophobicContact CB-CB 3.88Å; W160-K598 HydrophobicContact CB-CD 4.18Å; E163-K598 IonicContact OE1-NZ 3.96Å; E163-K598 PolarHBondContact OE1-NZ 3.45Å; E163-K598 IonicContact OE2-NZ 3.69Å; E163-K598 PolarHBondContact OE2-NZ 3.39Å; H596-K598 PolarHBondContact O-N 3.47Å; K598-K600 PolarHBondContact O-NZ 3.48Å
599	E	86.4	Confident	92.8	Very high	96 Å²	96	38.1 Å²	38.1	45%	0.449	19%	0.193	S	C	.	.			trans	-103.3	123	-177.2	-63.4	-168.9	-176.1	0	0	112.8	H555 S597 P601	H555-E599 IonicContact CE1-OE2 3.65Å; H555-E599 PolarHBondContact CE1-OE2 3.31Å; H555-E599 IonicContact NE2-OE2 2.64Å; H555-E599 PolarHBondContact NE2-OE2 2.91Å; S597-E599 VanDerWaalsContact C-N 3.26Å; S597-E599 PolarHBondContact O-N 2.88Å; S597-E599 PolarHBondContact OG-O 3.49Å; E599-P601 VanDerWaalsContact C-CD 3.4Å
600	K	89.2	Confident	92.9	Very high	32 Å²	32	38.2 Å²	38.2	14%	0.139	19%	0.193	C	C	.	.			trans	-128	46.7	-173.5	-46	174.8	-167	60.6	0	113.6	D158 F594 I595 S597 K598 T602 M603 V647	D158-K600 IonicContact OD1-NZ 3.52Å; D158-K600 PolarHBondContact OD1-NZ 3.45Å; F594-K600 HydrophobicContact CE1-CB 4.34Å; F594-K600 HydrophobicContact CZ-CB 4.07Å; I595-K600 WeakPolarHBondContact O-CE 3.5Å; S597-K600 WeakPolarHBondContact O-CE 3.4Å; S597-K600 WeakPolarHBondContact O-CG 3.5Å; S597-K600 PolarHBondContact O-NZ 3.42Å; K598-K600 PolarHBondContact O-NZ 3.48Å; K600-T602 VanDerWaalsContact C-N 3.26Å; K600-T602 PolarHBondContact O-N 3.45Å; K600-T602 VanDerWaalsContact O-N 3.17Å; K600-M603 HydrophobicContact CB-CB 4.45Å; K600-M603 HydrophobicContact CB-CE 3.66Å; K600-M603 HydrophobicContact CD-CE 3.27Å; K600-M603 HydrophobicContact CG-CE 4.04Å; K600-M603 WeakPolarHBondContact O-CB 3.13Å; K600-M603 PolarHBondContact O-N 3.34Å; K600-V647 HydrophobicContact CD-CG2 4.43Å
601	P	87.3	Confident	93	Very high	104 Å²	104	39.7 Å²	39.7	68%	0.675	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.4	-169	27.3	-36.1	0	0	0	114.2	E599	E599-P601 VanDerWaalsContact C-CD 3.4Å
602	T	93.1	Very high	93.2	Very high	43 Å²	43	45.7 Å²	45.7	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	15.6	-177.2	53.9	0	0	0	0	113.6	K600 L604 Q605 W606	K600-T602 VanDerWaalsContact C-N 3.26Å; K600-T602 PolarHBondContact O-N 3.45Å; K600-T602 VanDerWaalsContact O-N 3.17Å; T602-L604 PolarHBondContact O-N 3.03Å; T602-Q605 WeakPolarHBondContact O-CB 3.37Å; T602-Q605 PolarHBondContact O-N 2.84Å; T602-W606 PolarHBondContact O-N 3.02Å; T602-W606 VanDerWaalsContact O-N 3.1Å
603	M	91.4	Very high	93.5	Very high	19 Å²	19	46.3 Å²	46.3	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-45.5	-175.2	-175.7	-177.5	-67.4	0	0	113.7	F594 K600 Q605 W606 I607 I646 V647 M650	F594-M603 HydrophobicContact CE1-CB 3.87Å; F594-M603 HydrophobicContact CE1-CG 4.23Å; F594-M603 HydrophobicContact CZ-CB 4.31Å; K600-M603 HydrophobicContact CB-CB 4.45Å; K600-M603 HydrophobicContact CB-CE 3.66Å; K600-M603 HydrophobicContact CD-CE 3.27Å; K600-M603 HydrophobicContact CG-CE 4.04Å; K600-M603 WeakPolarHBondContact O-CB 3.13Å; K600-M603 PolarHBondContact O-N 3.34Å; M603-Q605 VanDerWaalsContact C-N 3.28Å; M603-Q605 PolarHBondContact O-N 3.5Å; M603-W606 PolarHBondContact O-N 2.7Å; M603-I607 WeakPolarHBondContact O-CG1 3.26Å; M603-I607 PolarHBondContact O-N 2.9Å; M603-I646 HydrophobicContact SD-CG2 3.82Å; M603-V647 HydrophobicContact CE-CG2 3.65Å; M603-V647 HydrophobicContact SD-CG2 4.4Å; M603-M650 HydrophobicContact SD-CG 4.25Å
604	L	91.8	Very high	93.7	Very high	115 Å²	115	46.4 Å²	46.4	60%	0.602	23%	0.232	S	C	*	.	H	α-helix	trans	-59.9	-40.2	178.2	-66.4	175.9	0	0	0	111.9	T602 W606 I607 E608 M650	T602-L604 PolarHBondContact O-N 3.03Å; L604-W606 VanDerWaalsContact C-N 3.34Å; L604-W606 PolarHBondContact O-N 3.45Å; L604-I607 PolarHBondContact O-N 2.92Å; L604-E608 WeakPolarHBondContact O-CG 3.43Å; L604-E608 PolarHBondContact O-N 3.46Å; L604-M650 HydrophobicContact CD2-SD 4.31Å
605	Q	95.8	Very high	93.7	Very high	92 Å²	92	49.4 Å²	49.4	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-39	178.8	-58	176.3	9.9	0	0	111.5	W562 T602 M603 E608 L609	W562-Q605 HydrophobicContact CH2-CB 3.67Å; W562-Q605 WeakPolarHBondContact CH2-O 2.89Å; W562-Q605 HydrophobicContact CZ2-CB 4.47Å; W562-Q605 HydrophobicContact CZ3-CB 3.9Å; T602-Q605 WeakPolarHBondContact O-CB 3.37Å; T602-Q605 PolarHBondContact O-N 2.84Å; M603-Q605 VanDerWaalsContact C-N 3.28Å; M603-Q605 PolarHBondContact O-N 3.5Å; Q605-E608 PolarHBondContact O-N 3.43Å; Q605-L609 WeakPolarHBondContact O-CB 3.32Å; Q605-L609 PolarHBondContact O-N 3.13Å
606	W	96.4	Very high	93.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-40.8	175.2	-82.2	110.5	0	0	0	112.7	M561 W562 C565 F589 V590 F594 T602 M603 L604 L609 L610	M561-W606 HydrophobicContact CB-CH2 4.15Å; M561-W606 HydrophobicContact CB-CZ2 4.22Å; W562-W606 HydrophobicContact CB-CH2 4.44Å; W562-W606 HydrophobicContact CB-CZ2 3.96Å; W562-W606 AromaticContact CE3-CD2 3.88Å; W562-W606 HydrophobicContact CE3-CD2 3.88Å; W562-W606 AromaticContact CE3-CE2 3.68Å; W562-W606 HydrophobicContact CE3-CE3 4.23Å; W562-W606 HydrophobicContact CE3-CG 4.39Å; W562-W606 HydrophobicContact CE3-CH2 4.22Å; W562-W606 AromaticContact CE3-CZ2 3.86Å; W562-W606 HydrophobicContact CE3-CZ2 3.86Å; W562-W606 HydrophobicContact CE3-CZ3 4.39Å; W562-W606 HydrophobicContact CZ3-CD2 4.05Å; W562-W606 HydrophobicContact CZ3-CE3 4.35Å; W562-W606 HydrophobicContact CZ3-CG 4.27Å; C565-W606 HydrophobicContact CB-CH2 4.08Å; C565-W606 HydrophobicContact CB-CZ3 3.94Å; F589-W606 AromaticContact CD1-CH2 3.7Å; F589-W606 HydrophobicContact CD1-CH2 3.7Å; F589-W606 AromaticContact CD1-CZ2 3.76Å; F589-W606 HydrophobicContact CD1-CZ2 3.76Å; F589-W606 HydrophobicContact CD1-CZ3 4.09Å; F589-W606 HydrophobicContact CE1-CD2 4.41Å; F589-W606 AromaticContact CE1-CE2 3.69Å; F589-W606 AromaticContact CE1-CH2 3.84Å; F589-W606 HydrophobicContact CE1-CH2 3.84Å; F589-W606 AromaticContact CE1-CZ2 3.38Å; F589-W606 HydrophobicContact CE1-CZ2 3.38Å; F589-W606 HydrophobicContact CZ-CZ2 4.42Å; V590-W606 HydrophobicContact CG2-CB 4.06Å; V590-W606 HydrophobicContact CG2-CD2 4.02Å; V590-W606 HydrophobicContact CG2-CE3 3.79Å; V590-W606 HydrophobicContact CG2-CG 4.16Å; F594-W606 AromaticContact CE1-CD1 3.84Å; F594-W606 HydrophobicContact CE1-CG 4.47Å; F594-W606 AromaticContact CZ-CD1 3.81Å; T602-W606 PolarHBondContact O-N 3.02Å; T602-W606 VanDerWaalsContact O-N 3.1Å; M603-W606 PolarHBondContact O-N 2.7Å; L604-W606 VanDerWaalsContact C-N 3.34Å; L604-W606 PolarHBondContact O-N 3.45Å; W606-L609 HydrophobicContact CE3-CD2 3.85Å; W606-L609 HydrophobicContact CZ3-CD2 3.74Å; W606-L609 PolarHBondContact O-N 3.25Å; W606-L610 WeakPolarHBondContact O-CG 3.45Å; W606-L610 PolarHBondContact O-N 3.12Å
607	I	94.5	Very high	93.8	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-41.5	175.8	-63	-60.8	0	0	0	111.1	M603 L604 L609 L610 T611 M650	M603-I607 WeakPolarHBondContact O-CG1 3.26Å; M603-I607 PolarHBondContact O-N 2.9Å; L604-I607 PolarHBondContact O-N 2.92Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 3.18Å; I607-L610 PolarHBondContact O-N 2.95Å; I607-T611 VanDerWaalsContact O-CB 3.32Å; I607-T611 WeakPolarHBondContact O-CB 3.42Å; I607-T611 PolarHBondContact O-N 3.3Å; I607-T611 PolarHBondContact O-OG1 3.47Å; I607-M650 HydrophobicContact CD1-CB 3.88Å; I607-M650 HydrophobicContact CD1-CG 4.49Å; I607-M650 HydrophobicContact CG1-CB 3.98Å; I607-M650 HydrophobicContact CG1-CG 4.04Å; I607-M650 HydrophobicContact CG1-SD 4.15Å; I607-M650 HydrophobicContact CG2-SD 4.26Å
608	E	96	Very high	93.8	Very high	136 Å²	136	59.3 Å²	59.3	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-61.5	-41.2	174.2	-74.2	175.9	-174.3	0	0	111.9	L604 Q605 T611 K612	L604-E608 WeakPolarHBondContact O-CG 3.43Å; L604-E608 PolarHBondContact O-N 3.46Å; Q605-E608 PolarHBondContact O-N 3.43Å; E608-T611 PolarHBondContact O-N 3.05Å; E608-K612 WeakPolarHBondContact O-CB 3.48Å; E608-K612 PolarHBondContact O-N 3.32Å
609	L	97.1	Very high	94.1	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-50.5	176.2	177.4	62.5	0	0	0	111.7	W562 C565 Q605 W606 I607 T611 K612 Q613	W562-L609 HydrophobicContact CE3-CD2 4.14Å; W562-L609 HydrophobicContact CH2-CB 4.2Å; W562-L609 HydrophobicContact CH2-CD2 4.35Å; W562-L609 HydrophobicContact CZ3-CB 4.09Å; W562-L609 HydrophobicContact CZ3-CD2 3.84Å; C565-L609 HydrophobicContact CB-CD2 4.12Å; Q605-L609 WeakPolarHBondContact O-CB 3.32Å; Q605-L609 PolarHBondContact O-N 3.13Å; W606-L609 HydrophobicContact CE3-CD2 3.85Å; W606-L609 HydrophobicContact CZ3-CD2 3.74Å; W606-L609 PolarHBondContact O-N 3.25Å; I607-L609 VanDerWaalsContact C-N 3.32Å; I607-L609 PolarHBondContact O-N 3.18Å; L609-T611 VanDerWaalsContact C-N 3.35Å; L609-T611 PolarHBondContact O-N 2.97Å; L609-K612 WeakPolarHBondContact O-CB 3.46Å; L609-K612 PolarHBondContact O-N 3.19Å; L609-Q613 HydrophobicContact CD1-CG 4.29Å; L609-Q613 WeakPolarHBondContact O-CG 3.42Å; L609-Q613 PolarHBondContact O-N 2.69Å
610	L	97.4	Very high	94.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-46.2	177.4	-74.1	174.4	0	0	0	111.3	V590 W606 I607 K612 Q613 F614 L654	V590-L610 HydrophobicContact CB-CD1 4.18Å; V590-L610 HydrophobicContact CG1-CD1 4.21Å; V590-L610 HydrophobicContact CG2-CD1 4.02Å; W606-L610 WeakPolarHBondContact O-CG 3.45Å; W606-L610 PolarHBondContact O-N 3.12Å; I607-L610 PolarHBondContact O-N 2.95Å; L610-K612 VanDerWaalsContact C-N 3.28Å; L610-K612 PolarHBondContact O-N 3.46Å; L610-Q613 PolarHBondContact O-N 3.43Å; L610-Q613 VanDerWaalsContact O-N 3.09Å; L610-F614 HydrophobicContact CB-CD2 4.37Å; L610-F614 HydrophobicContact CB-CE2 4.15Å; L610-F614 HydrophobicContact CD2-CE2 4.46Å; L610-F614 WeakPolarHBondContact O-CD2 3.29Å; L610-F614 WeakPolarHBondContact O-CG 3.41Å; L610-F614 PolarHBondContact O-N 3.25Å; L610-L654 HydrophobicContact CB-CD1 4.16Å; L610-L654 HydrophobicContact CD1-CD2 3.97Å
611	T	96.6	Very high	94.9	Very high	36 Å²	36	51.1 Å²	51.1	22%	0.221	27%	0.27	C	S	.	.	H	α-helix	trans	-53.6	-46.8	175	-57.3	0	0	0	0	111.2	I607 E608 L609 N615	I607-T611 VanDerWaalsContact O-CB 3.32Å; I607-T611 WeakPolarHBondContact O-CB 3.42Å; I607-T611 PolarHBondContact O-N 3.3Å; I607-T611 PolarHBondContact O-OG1 3.47Å; E608-T611 PolarHBondContact O-N 3.05Å; L609-T611 VanDerWaalsContact C-N 3.35Å; L609-T611 PolarHBondContact O-N 2.97Å; T611-N615 WeakPolarHBondContact O-CB 3.48Å; T611-N615 PolarHBondContact O-N 2.68Å; T611-N615 PolarHBondContact O-ND2 3.06Å
612	K	95.9	Very high	95.3	Very high	134 Å²	134	48.8 Å²	48.8	58%	0.583	25%	0.25	S	S	*	.	H	α-helix	trans	-63.9	-42.3	176.8	-179.8	-176.9	176.4	-174.6	0	112.1	E608 L609 L610 N615 N616	E608-K612 WeakPolarHBondContact O-CB 3.48Å; E608-K612 PolarHBondContact O-N 3.32Å; L609-K612 WeakPolarHBondContact O-CB 3.46Å; L609-K612 PolarHBondContact O-N 3.19Å; L610-K612 VanDerWaalsContact C-N 3.28Å; L610-K612 PolarHBondContact O-N 3.46Å; K612-N615 PolarHBondContact O-N 3.32Å; K612-N616 VanDerWaalsContact O-CG 3.27Å; K612-N616 PolarHBondContact O-N 3.5Å; K612-N616 PolarHBondContact O-ND2 3.29Å
613	Q	96.3	Very high	95.5	Very high	19 Å²	19	49 Å²	49	9%	0.089	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-44.4	179.6	-73	172.1	-12	0	0	111.7	C565 A583 S586 L609 L610 N615 N616 S617	C565-Q613 PolarHBondContact O-NE2 2.92Å; A583-Q613 HydrophobicContact CB-CB 4.2Å; S586-Q613 VanDerWaalsContact CB-OE1 3.22Å; S586-Q613 PolarHBondContact OG-NE2 3.32Å; S586-Q613 PolarHBondContact OG-OE1 3.48Å; S586-Q613 VanDerWaalsContact OG-OE1 3.13Å; L609-Q613 HydrophobicContact CD1-CG 4.29Å; L609-Q613 WeakPolarHBondContact O-CG 3.42Å; L609-Q613 PolarHBondContact O-N 2.69Å; L610-Q613 PolarHBondContact O-N 3.43Å; L610-Q613 VanDerWaalsContact O-N 3.09Å; Q613-N615 PolarHBondContact O-N 2.9Å; Q613-N616 PolarHBondContact O-N 2.93Å; Q613-N616 VanDerWaalsContact O-N 3.12Å; Q613-S617 PolarHBondContact O-N 3.2Å
614	F	96.8	Very high	95.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-38.8	175.2	-71.4	-48.5	0	0	0	112.7	L610 N616 S617 A620 C621 F624 L654 V658	L610-F614 HydrophobicContact CB-CD2 4.37Å; L610-F614 HydrophobicContact CB-CE2 4.15Å; L610-F614 HydrophobicContact CD2-CE2 4.46Å; L610-F614 WeakPolarHBondContact O-CD2 3.29Å; L610-F614 WeakPolarHBondContact O-CG 3.41Å; L610-F614 PolarHBondContact O-N 3.25Å; F614-N616 PolarHBondContact O-N 3Å; F614-S617 PolarHBondContact O-N 3.24Å; F614-A620 HydrophobicContact CD1-CB 4Å; F614-A620 HydrophobicContact CE1-CB 4.18Å; F614-C621 PolarHBondContact O-SG 2.94Å; F614-C621 VanDerWaalsContact O-SG 3.36Å; F614-F624 HydrophobicContact CE1-CB 3.86Å; F614-F624 HydrophobicContact CE1-CG 4.25Å; F614-F624 HydrophobicContact CZ-CB 4Å; F614-F624 HydrophobicContact CZ-CD1 4.44Å; F614-F624 HydrophobicContact CZ-CD2 4.02Å; F614-F624 AromaticContact CZ-CG 3.89Å; F614-F624 HydrophobicContact CZ-CG 3.89Å; F614-L654 HydrophobicContact CD2-CD1 3.88Å; F614-L654 HydrophobicContact CE2-CD1 3.85Å; F614-L654 HydrophobicContact CE2-CD2 4.18Å; F614-L654 HydrophobicContact CE2-CG 4.14Å; F614-V658 HydrophobicContact CB-CG2 4.35Å; F614-V658 HydrophobicContact CD1-CG2 4.3Å; F614-V658 HydrophobicContact CD2-CG2 3.72Å; F614-V658 HydrophobicContact CE2-CG2 4.03Å; F614-V658 HydrophobicContact CG-CG2 3.88Å; F614-V658 HydrophobicContact CZ-CG2 4.46Å
615	N	95.3	Very high	95.8	Very high	66 Å²	66	42.6 Å²	42.6	35%	0.353	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-31.1	173.5	-74.6	-21	0	0	0	113.2	T611 K612 Q613 H657 R661	T611-N615 WeakPolarHBondContact O-CB 3.48Å; T611-N615 PolarHBondContact O-N 2.68Å; T611-N615 PolarHBondContact O-ND2 3.06Å; K612-N615 PolarHBondContact O-N 3.32Å; Q613-N615 PolarHBondContact O-N 2.9Å; N615-H657 PolarHBondContact OD1-CE1 3.37Å; N615-H657 PolarHBondContact OD1-NE2 2.92Å; N615-R661 WeakPolarHBondContact OD1-CD 3.35Å
616	N	92.4	Very high	95.7	Very high	115 Å²	115	40.3 Å²	40.3	62%	0.615	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.5	-176.6	-67.3	-31.4	0	0	0	113.8	K612 Q613 F614	K612-N616 VanDerWaalsContact O-CG 3.27Å; K612-N616 PolarHBondContact O-N 3.5Å; K612-N616 PolarHBondContact O-ND2 3.29Å; Q613-N616 PolarHBondContact O-N 2.93Å; Q613-N616 VanDerWaalsContact O-N 3.12Å; F614-N616 PolarHBondContact O-N 3Å
617	S	95.1	Very high	95.5	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.063	22%	0.215	C	C	.	.			trans	-149.2	96.9	-171.3	-173.4	0	0	0	0	112.6	S579 Q613 F614 A619 A620 C621	S579-S617 PolarHBondContact OG-OG 3.12Å; Q613-S617 PolarHBondContact O-N 3.2Å; F614-S617 PolarHBondContact O-N 3.24Å; S617-A619 VanDerWaalsContact C-N 3.31Å; S617-A619 PolarHBondContact O-N 3.45Å; S617-A620 WeakPolarHBondContact O-CB 3.14Å; S617-A620 PolarHBondContact O-N 3.49Å; S617-A620 PolarHBondContact OG-N 3.24Å; S617-C621 PolarHBondContact O-N 3.41Å
618	Q	94.8	Very high	95.3	Very high	95 Å²	95	42.2 Å²	42.2	44%	0.444	21%	0.209	S	C	.	.	H	α-helix	trans	-57.6	-42.7	175.4	-176.1	179.3	-39.7	0	0	112.2	A620 C621 E622 L662	Q618-A620 PolarHBondContact O-N 3.47Å; Q618-A620 VanDerWaalsContact O-N 3.13Å; Q618-C621 VanDerWaalsContact O-CB 3.28Å; Q618-C621 WeakPolarHBondContact O-CB 3.31Å; Q618-C621 PolarHBondContact O-N 2.82Å; Q618-E622 PolarHBondContact NE2-OE1 3.09Å; Q618-E622 PolarHBondContact O-N 3.04Å; Q618-L662 HydrophobicContact CG-CD2 3.81Å
619	A	96	Very high	95	Very high	45 Å²	45	36.4 Å²	36.4	37%	0.372	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-25.4	176.5	0	0	0	0	0	113.3	L580 S617 W623	L580-A619 HydrophobicContact CD1-CB 4.35Å; L580-A619 HydrophobicContact CD2-CB 4.34Å; S617-A619 VanDerWaalsContact C-N 3.31Å; S617-A619 PolarHBondContact O-N 3.45Å; A619-W623 VanDerWaalsContact O-CB 3.28Å; A619-W623 WeakPolarHBondContact O-CB 3.49Å; A619-W623 PolarHBondContact O-N 2.89Å; A619-W623 VanDerWaalsContact O-N 3.1Å
620	A	96.5	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-77.4	-38.1	175.9	0	0	0	0	0	111.3	L580 A583 F614 S617 Q618 F624	L580-A620 HydrophobicContact CD1-CB 3.85Å; A583-A620 HydrophobicContact CB-CB 3.59Å; F614-A620 HydrophobicContact CD1-CB 4Å; F614-A620 HydrophobicContact CE1-CB 4.18Å; S617-A620 WeakPolarHBondContact O-CB 3.14Å; S617-A620 PolarHBondContact O-N 3.49Å; S617-A620 PolarHBondContact OG-N 3.24Å; Q618-A620 PolarHBondContact O-N 3.47Å; Q618-A620 VanDerWaalsContact O-N 3.13Å; A620-F624 VanDerWaalsContact O-CB 3.29Å; A620-F624 WeakPolarHBondContact O-CB 3.41Å; A620-F624 PolarHBondContact O-N 2.87Å
621	C	97.1	Very high	93.8	Very high	2 Å²	2	44 Å²	44	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-47.6	172.1	-67.4	0	0	0	0	111.7	F614 S617 Q618 F624 L625 V658 L662	F614-C621 PolarHBondContact O-SG 2.94Å; F614-C621 VanDerWaalsContact O-SG 3.36Å; S617-C621 PolarHBondContact O-N 3.41Å; Q618-C621 VanDerWaalsContact O-CB 3.28Å; Q618-C621 WeakPolarHBondContact O-CB 3.31Å; Q618-C621 PolarHBondContact O-N 2.82Å; C621-F624 PolarHBondContact O-N 3.44Å; C621-L625 PolarHBondContact O-N 3.46Å; C621-V658 HydrophobicContact CB-CG1 3.63Å; C621-L662 HydrophobicContact CB-CD1 3.89Å; C621-L662 HydrophobicContact CB-CD2 3.66Å; C621-L662 HydrophobicContact CB-CG 3.74Å
622	E	96.1	Very high	93.2	Very high	56 Å²	56	46.2 Å²	46.2	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-52.1	177.8	-72.5	165.2	-175.5	0	0	110.6	Q618 F624 L625 D626 L662 H666	Q618-E622 PolarHBondContact NE2-OE1 3.09Å; Q618-E622 PolarHBondContact O-N 3.04Å; E622-F624 VanDerWaalsContact C-N 3.3Å; E622-F624 PolarHBondContact O-N 2.86Å; E622-L625 PolarHBondContact O-N 3.17Å; E622-D626 WeakPolarHBondContact O-CB 3.32Å; E622-D626 PolarHBondContact O-N 3.14Å; E622-L662 HydrophobicContact CG-CD1 4.43Å; E622-L662 HydrophobicContact CG-CD2 3.8Å; E622-H666 IonicContact OE1-NE2 2.77Å
623	W	95.8	Very high	92.7	Very high	46 Å²	46	42.2 Å²	42.2	17%	0.174	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-41.4	177.1	168.9	76.2	0	0	0	113.2	L580 K584 T587 A619 D626 R627	L580-W623 HydrophobicContact CD1-CB 4.44Å; K584-W623 HydrophobicContact CB-CH2 3.99Å; K584-W623 HydrophobicContact CB-CZ2 4.2Å; K584-W623 HydrophobicContact CB-CZ3 4.22Å; K584-W623 HydrophobicContact CD-CD2 4.1Å; K584-W623 HydrophobicContact CD-CG 4.44Å; K584-W623 HydrophobicContact CD-CZ2 4.2Å; K584-W623 VanDerWaalsContact CE-CD1 3.43Å; K584-W623 VanDerWaalsContact CE-CG 3.44Å; K584-W623 HydrophobicContact CG-CD2 3.67Å; K584-W623 HydrophobicContact CG-CE3 3.72Å; K584-W623 HydrophobicContact CG-CG 4.39Å; K584-W623 HydrophobicContact CG-CH2 3.82Å; K584-W623 HydrophobicContact CG-CZ2 3.77Å; K584-W623 HydrophobicContact CG-CZ3 3.8Å; T587-W623 HydrophobicContact CG2-CH2 4.23Å; T587-W623 HydrophobicContact CG2-CZ3 4.05Å; A619-W623 VanDerWaalsContact O-CB 3.28Å; A619-W623 WeakPolarHBondContact O-CB 3.49Å; A619-W623 PolarHBondContact O-N 2.89Å; A619-W623 VanDerWaalsContact O-N 3.1Å; W623-D626 PolarHBondContact O-N 3.44Å; W623-R627 WeakPolarHBondContact O-CB 3.39Å; W623-R627 PolarHBondContact O-N 2.85Å
624	F	95.8	Very high	92.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-49.2	-179.2	173	-106.8	0	0	0	111.4	T587 L591 F614 A620 C621 E622 M628 F651 L654 V658	T587-F624 HydrophobicContact CG2-CD2 3.73Å; T587-F624 HydrophobicContact CG2-CE2 3.87Å; L591-F624 HydrophobicContact CD1-CE2 4.19Å; F614-F624 HydrophobicContact CE1-CB 3.86Å; F614-F624 HydrophobicContact CE1-CG 4.25Å; F614-F624 HydrophobicContact CZ-CB 4Å; F614-F624 HydrophobicContact CZ-CD1 4.44Å; F614-F624 HydrophobicContact CZ-CD2 4.02Å; F614-F624 AromaticContact CZ-CG 3.89Å; F614-F624 HydrophobicContact CZ-CG 3.89Å; A620-F624 VanDerWaalsContact O-CB 3.29Å; A620-F624 WeakPolarHBondContact O-CB 3.41Å; A620-F624 PolarHBondContact O-N 2.87Å; C621-F624 PolarHBondContact O-N 3.44Å; E622-F624 VanDerWaalsContact C-N 3.3Å; E622-F624 PolarHBondContact O-N 2.86Å; F624-M628 HydrophobicContact CD2-CE 4.23Å; F624-M628 HydrophobicContact CE2-CE 3.45Å; F624-M628 VanDerWaalsContact CE2-CE 3.45Å; F624-M628 HydrophobicContact CE2-CG 4.45Å; F624-M628 HydrophobicContact CZ-CE 3.81Å; F624-M628 HydrophobicContact CZ-CG 4.43Å; F624-M628 WeakPolarHBondContact O-CG 3.13Å; F624-M628 PolarHBondContact O-N 3.24Å; F624-F651 HydrophobicContact CZ-CE2 4.15Å; F624-L654 HydrophobicContact CZ-CD2 4.39Å; F624-V658 HydrophobicContact CD1-CB 4.3Å; F624-V658 HydrophobicContact CD1-CG1 4.1Å; F624-V658 HydrophobicContact CD1-CG2 3.98Å; F624-V658 HydrophobicContact CE1-CG2 4.29Å
625	L	95.3	Very high	91.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.2	-35	179.1	-65.8	-174.5	0	0	0	112.6	C621 E622 R627 M628 A629 V658 I659 L662 C694 V695 F698	C621-L625 PolarHBondContact O-N 3.46Å; E622-L625 PolarHBondContact O-N 3.17Å; L625-R627 VanDerWaalsContact C-N 3.34Å; L625-M628 PolarHBondContact O-N 2.99Å; L625-A629 VanDerWaalsContact O-CB 3.31Å; L625-A629 WeakPolarHBondContact O-CB 3.35Å; L625-A629 PolarHBondContact O-N 3.3Å; L625-V658 HydrophobicContact CD1-CG1 3.99Å; L625-V658 HydrophobicContact CD2-CG1 4.28Å; L625-V658 HydrophobicContact CG-CG1 3.82Å; L625-I659 HydrophobicContact CD1-CG1 3.76Å; L625-L662 HydrophobicContact CD1-CD1 3.75Å; L625-C694 HydrophobicContact CB-CB 4.06Å; L625-V695 HydrophobicContact CD1-CB 4.34Å; L625-V695 HydrophobicContact CD1-CG2 3.65Å; L625-F698 HydrophobicContact CD2-CD1 3.8Å; L625-F698 HydrophobicContact CD2-CE1 4.18Å; L625-F698 HydrophobicContact CD2-CG 4.24Å
626	D	93.7	Very high	91.6	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-47.8	173.3	-79.3	-23.6	0	0	0	111.1	E622 W623 M628 A629 D630 C694 R697	E622-D626 WeakPolarHBondContact O-CB 3.32Å; E622-D626 PolarHBondContact O-N 3.14Å; W623-D626 PolarHBondContact O-N 3.44Å; D626-M628 VanDerWaalsContact C-N 3.26Å; D626-M628 PolarHBondContact O-N 2.95Å; D626-A629 PolarHBondContact O-N 3.48Å; D626-D630 WeakPolarHBondContact O-CB 3.38Å; D626-D630 VanDerWaalsContact O-CG 3.24Å; D626-D630 PolarHBondContact O-N 3.46Å; D626-C694 WeakPolarHBondContact OD1-CB 3.49Å; D626-R697 IonicContact OD1-CZ 3.54Å; D626-R697 IonicContact OD1-NE 3.77Å; D626-R697 IonicContact OD1-NH2 3.9Å; D626-R697 PolarHBondContact OD1-NH2 3.34Å; D626-R697 IonicContact OD2-NH2 2.77Å
627	R	90.4	Very high	91.3	Very high	68 Å²	68	35 Å²	35	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-61.3	-35.7	179.1	-171.8	63.4	163.7	96.6	5.7	112.6	W623 L625 D631 W634	W623-R627 WeakPolarHBondContact O-CB 3.39Å; W623-R627 PolarHBondContact O-N 2.85Å; L625-R627 VanDerWaalsContact C-N 3.34Å; R627-D631 IonicContact NH1-OD2 3.81Å; R627-D631 PolarHBondContact NH1-OD2 2.9Å; R627-D631 PolarHBondContact O-N 3.38Å; R627-W634 HydrophobicContact CB-CZ3 4.2Å; R627-W634 HydrophobicContact CG-CE3 4.09Å; R627-W634 HydrophobicContact CG-CH2 3.91Å; R627-W634 HydrophobicContact CG-CZ3 3.28Å
628	M	90.3	Very high	91.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-77.1	-21.8	176.5	-65.4	-71.9	175.4	0	0	113.6	L591 F624 L625 D626 W634 P635 F651 F698	L591-M628 HydrophobicContact CD1-CE 3.34Å; F624-M628 HydrophobicContact CD2-CE 4.23Å; F624-M628 HydrophobicContact CE2-CE 3.45Å; F624-M628 VanDerWaalsContact CE2-CE 3.45Å; F624-M628 HydrophobicContact CE2-CG 4.45Å; F624-M628 HydrophobicContact CZ-CE 3.81Å; F624-M628 HydrophobicContact CZ-CG 4.43Å; F624-M628 WeakPolarHBondContact O-CG 3.13Å; F624-M628 PolarHBondContact O-N 3.24Å; L625-M628 PolarHBondContact O-N 2.99Å; D626-M628 VanDerWaalsContact C-N 3.26Å; D626-M628 PolarHBondContact O-N 2.95Å; M628-W634 HydrophobicContact CE-CB 3.85Å; M628-W634 HydrophobicContact CE-CD2 3.89Å; M628-W634 HydrophobicContact CE-CE3 3.3Å; M628-W634 HydrophobicContact CE-CG 4.13Å; M628-W634 HydrophobicContact CE-CZ3 3.98Å; M628-W634 HydrophobicContact SD-CB 3.54Å; M628-W634 VanDerWaalsContact SD-CB 3.54Å; M628-W634 HydrophobicContact SD-CD2 4.27Å; M628-W634 HydrophobicContact SD-CE3 3.63Å; M628-W634 HydrophobicContact SD-CG 4.29Å; M628-P635 HydrophobicContact CB-CG 4.28Å; M628-P635 HydrophobicContact SD-CG 3.88Å; M628-F651 HydrophobicContact CE-CE2 3.51Å; M628-F651 HydrophobicContact CE-CZ 3.64Å; M628-F651 HydrophobicContact SD-CE2 4.27Å; M628-F651 HydrophobicContact SD-CZ 3.76Å; M628-F698 HydrophobicContact CB-CD2 3.47Å; M628-F698 VanDerWaalsContact CB-CD2 3.47Å; M628-F698 HydrophobicContact CB-CE2 3.58Å; M628-F698 HydrophobicContact CB-CG 4.35Å; M628-F698 HydrophobicContact CG-CE2 4.37Å
629	A	90.3	Very high	90.8	Very high	13 Å²	13	30.2 Å²	30.2	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-84.4	-41.3	177.5	0	0	0	0	0	111.4	L625 D626 D631 R697 F698 T701	L625-A629 VanDerWaalsContact O-CB 3.31Å; L625-A629 WeakPolarHBondContact O-CB 3.35Å; L625-A629 PolarHBondContact O-N 3.3Å; D626-A629 PolarHBondContact O-N 3.48Å; A629-D631 VanDerWaalsContact C-N 3.34Å; A629-R697 HydrophobicContact CB-CB 3.72Å; A629-F698 HydrophobicContact CB-CB 4.12Å; A629-T701 PolarHBondContact O-OG1 3.23Å
630	D	87.6	Confident	90.4	Very high	119 Å²	119	28.1 Å²	28.1	64%	0.636	14%	0.137	S	C	*	.	H	α-helix	trans	-72	-28.5	-179.3	-66.5	-18	0	0	0	112.4	D626	D626-D630 WeakPolarHBondContact O-CB 3.38Å; D626-D630 VanDerWaalsContact O-CG 3.24Å; D626-D630 PolarHBondContact O-N 3.46Å
631	D	82.7	Confident	89.9	Confident	56 Å²	56	32.1 Å²	32.1	30%	0.299	15%	0.154	S	C	.	.			trans	-134.8	107.8	-176.9	-174.3	-2.8	0	0	0	109.7	R627 A629 W633	R627-D631 IonicContact NH1-OD2 3.81Å; R627-D631 PolarHBondContact NH1-OD2 2.9Å; R627-D631 PolarHBondContact O-N 3.38Å; A629-D631 VanDerWaalsContact C-N 3.34Å; D631-W633 PolarHBondContact O-N 3.26Å; D631-W633 WeakPolarHBondContact OD1-CB 3.4Å; D631-W633 PolarHBondContact OD1-N 3.44Å; D631-W633 VanDerWaalsContact OD1-N 3.16Å
632	D	83.4	Confident	89.6	Confident	81 Å²	81	32 Å²	32	43%	0.433	15%	0.153	S	C	.	.			trans	-77	-1.3	-175.8	80.8	-22.5	0	0	0	113	P635 M636 T701 I705	D632-P635 WeakPolarHBondContact O-CD 3.27Å; D632-M636 VanDerWaalsContact O-CB 3.24Å; D632-M636 WeakPolarHBondContact O-CB 3.45Å; D632-M636 PolarHBondContact O-N 3.37Å; D632-T701 HydrophobicContact CB-CG2 3.48Å; D632-T701 VanDerWaalsContact CB-CG2 3.48Å; D632-I705 HydrophobicContact CB-CD1 3.95Å; D632-I705 HydrophobicContact CB-CG1 4.08Å
633	W	85.1	Confident	89.2	Confident	50 Å²	50	32.2 Å²	32.2	19%	0.189	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-56.5	-178.5	-173.2	92.4	0	0	0	113.1	P154 D631 M636 Q637	P154-W633 HydrophobicContact CB-CH2 4.06Å; P154-W633 HydrophobicContact CB-CZ2 3.49Å; P154-W633 VanDerWaalsContact CB-CZ2 3.49Å; P154-W633 HydrophobicContact CG-CZ2 3.73Å; D631-W633 PolarHBondContact O-N 3.26Å; D631-W633 WeakPolarHBondContact OD1-CB 3.4Å; D631-W633 PolarHBondContact OD1-N 3.44Å; D631-W633 VanDerWaalsContact OD1-N 3.16Å; W633-M636 PolarHBondContact O-N 3.42Å; W633-Q637 HydrophobicContact CD2-CG 3.77Å; W633-Q637 HydrophobicContact CE3-CG 4.14Å; W633-Q637 HydrophobicContact CG-CG 4.29Å; W633-Q637 HydrophobicContact CH2-CG 4.05Å; W633-Q637 HydrophobicContact CZ2-CG 3.81Å; W633-Q637 HydrophobicContact CZ3-CG 4.26Å; W633-Q637 WeakPolarHBondContact O-CB 3.05Å; W633-Q637 VanDerWaalsContact O-CG 3.27Å; W633-Q637 WeakPolarHBondContact O-CG 3.34Å; W633-Q637 PolarHBondContact O-N 3.3Å
634	W	86.9	Confident	89	Confident	3 Å²	3	32.1 Å²	32.1	1%	0.011	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-47.9	-179.3	-79	-41	0	0	0	112.5	L591 E592 R627 M628 M636 Q637 I638	L591-W634 HydrophobicContact CD1-CD2 4.01Å; L591-W634 HydrophobicContact CD1-CE3 4.11Å; L591-W634 HydrophobicContact CD1-CG 4.39Å; L591-W634 HydrophobicContact CD1-CZ2 4.48Å; L591-W634 HydrophobicContact CD1-CZ3 4.28Å; E592-W634 HydrophobicContact CG-CZ2 3.9Å; E592-W634 VanDerWaalsContact OE1-CZ2 3.26Å; E592-W634 WeakPolarHBondContact OE1-CZ2 3.37Å; E592-W634 PolarHBondContact OE2-NE1 3.17Å; E592-W634 VanDerWaalsContact OE2-NE1 3.14Å; R627-W634 HydrophobicContact CB-CZ3 4.2Å; R627-W634 HydrophobicContact CG-CE3 4.09Å; R627-W634 HydrophobicContact CG-CH2 3.91Å; R627-W634 HydrophobicContact CG-CZ3 3.28Å; M628-W634 HydrophobicContact CE-CB 3.85Å; M628-W634 HydrophobicContact CE-CD2 3.89Å; M628-W634 HydrophobicContact CE-CE3 3.3Å; M628-W634 HydrophobicContact CE-CG 4.13Å; M628-W634 HydrophobicContact CE-CZ3 3.98Å; M628-W634 HydrophobicContact SD-CB 3.54Å; M628-W634 VanDerWaalsContact SD-CB 3.54Å; M628-W634 HydrophobicContact SD-CD2 4.27Å; M628-W634 HydrophobicContact SD-CE3 3.63Å; M628-W634 HydrophobicContact SD-CG 4.29Å; W634-M636 VanDerWaalsContact C-N 3.3Å; W634-M636 PolarHBondContact O-N 2.95Å; W634-Q637 PolarHBondContact O-N 3.49Å; W634-I638 HydrophobicContact CB-CD1 4.35Å; W634-I638 WeakPolarHBondContact O-CB 3.31Å; W634-I638 VanDerWaalsContact O-CG1 3.31Å; W634-I638 WeakPolarHBondContact O-CG1 3.4Å; W634-I638 PolarHBondContact O-N 2.91Å
635	P	89.6	Confident	88.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-41.6	175.5	-26	35.8	0	0	0	112.8	M628 D632 L639 F698 L702 I705	M628-P635 HydrophobicContact CB-CG 4.28Å; M628-P635 HydrophobicContact SD-CG 3.88Å; D632-P635 WeakPolarHBondContact O-CD 3.27Å; P635-L639 VanDerWaalsContact O-CB 3.28Å; P635-L639 WeakPolarHBondContact O-CB 3.33Å; P635-L639 PolarHBondContact O-N 3.23Å; P635-F698 HydrophobicContact CB-CE2 4.38Å; P635-F698 HydrophobicContact CG-CE2 3.79Å; P635-L702 HydrophobicContact CB-CD2 3.72Å; P635-I705 HydrophobicContact CB-CD1 3.83Å
636	M	88	Confident	88.5	Confident	25 Å²	25	41.3 Å²	41.3	12%	0.123	21%	0.208	C	C	.	.	I	π-helix	trans	-63.7	-51.5	175.5	179.8	65.8	77.7	0	0	111.6	D632 W633 W634 I638 I640 K641 I705	D632-M636 VanDerWaalsContact O-CB 3.24Å; D632-M636 WeakPolarHBondContact O-CB 3.45Å; D632-M636 PolarHBondContact O-N 3.37Å; W633-M636 PolarHBondContact O-N 3.42Å; W634-M636 VanDerWaalsContact C-N 3.3Å; W634-M636 PolarHBondContact O-N 2.95Å; M636-I638 PolarHBondContact O-N 3.01Å; M636-I640 WeakPolarHBondContact O-CA 3.24Å; M636-I640 VanDerWaalsContact O-CB 3.23Å; M636-I640 WeakPolarHBondContact O-CB 3.32Å; M636-I640 PolarHBondContact O-N 3.12Å; M636-I640 VanDerWaalsContact O-N 3.14Å; M636-I640 HydrophobicContact SD-CB 3.84Å; M636-I640 HydrophobicContact SD-CG1 3.89Å; M636-I640 HydrophobicContact SD-CG2 4.01Å; M636-K641 HydrophobicContact CG-CD 4.48Å; M636-K641 PolarHBondContact O-N 3.21Å; M636-I705 HydrophobicContact CE-CB 4.25Å; M636-I705 HydrophobicContact CE-CG1 4.15Å; M636-I705 HydrophobicContact CE-CG2 3.48Å; M636-I705 VanDerWaalsContact CE-CG2 3.48Å; M636-I705 HydrophobicContact SD-CG2 4.07Å
637	Q	87.6	Confident	88.5	Confident	22 Å²	22	39.5 Å²	39.5	10%	0.103	20%	0.198	C	C	.	.	I	π-helix	trans	-62	-45.4	-178.2	-67.9	-57.4	-27.7	0	0	111.3	W157 W633 W634 K641 C642	W157-Q637 WeakPolarHBondContact CZ2-O 3.38Å; W633-Q637 HydrophobicContact CD2-CG 3.77Å; W633-Q637 HydrophobicContact CE3-CG 4.14Å; W633-Q637 HydrophobicContact CG-CG 4.29Å; W633-Q637 HydrophobicContact CH2-CG 4.05Å; W633-Q637 HydrophobicContact CZ2-CG 3.81Å; W633-Q637 HydrophobicContact CZ3-CG 4.26Å; W633-Q637 WeakPolarHBondContact O-CB 3.05Å; W633-Q637 VanDerWaalsContact O-CG 3.27Å; W633-Q637 WeakPolarHBondContact O-CG 3.34Å; W633-Q637 PolarHBondContact O-N 3.3Å; W634-Q637 PolarHBondContact O-N 3.49Å; Q637-K641 CarbonylContact O-C 3.57Å; Q637-K641 PolarHBondContact O-N 2.95Å; Q637-C642 WeakPolarHBondContact O-CB 3.36Å; Q637-C642 PolarHBondContact O-N 3.42Å
638	I	90.4	Very high	88.6	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.188	C	C	.	.	I	π-helix	trans	-83.6	-49.4	-172	-58.9	171	0	0	0	111.7	L591 I595 W634 M636 C642 V647 R648 F651	L591-I638 HydrophobicContact CD2-CD1 3.73Å; I595-I638 HydrophobicContact CD1-CD1 3.72Å; I595-I638 HydrophobicContact CD1-CG1 3.79Å; W634-I638 HydrophobicContact CB-CD1 4.35Å; W634-I638 WeakPolarHBondContact O-CB 3.31Å; W634-I638 VanDerWaalsContact O-CG1 3.31Å; W634-I638 WeakPolarHBondContact O-CG1 3.4Å; W634-I638 PolarHBondContact O-N 2.91Å; M636-I638 PolarHBondContact O-N 3.01Å; I638-C642 WeakPolarHBondContact O-CB 3.45Å; I638-V647 HydrophobicContact CG2-CG1 4.11Å; I638-R648 WeakPolarHBondContact O-CD 3.29Å; I638-R648 WeakPolarHBondContact O-CG 3.48Å; I638-F651 HydrophobicContact CB-CD1 4.28Å; I638-F651 HydrophobicContact CB-CG 4.3Å; I638-F651 HydrophobicContact CD1-CD2 3.78Å; I638-F651 HydrophobicContact CD1-CE2 3.75Å; I638-F651 HydrophobicContact CD1-CG 4.33Å; I638-F651 HydrophobicContact CD1-CZ 4.28Å; I638-F651 HydrophobicContact CG2-CB 3.56Å; I638-F651 HydrophobicContact CG2-CD1 3.82Å; I638-F651 HydrophobicContact CG2-CD2 4.08Å; I638-F651 HydrophobicContact CG2-CG 3.55Å
639	L	89.4	Confident	88.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	20%	0.204	C	C	.	.	I	π-helix	trans	-82.3	-24.6	-174.7	-67.7	172.5	0	0	0	113.5	P635 F651 Q652 L702 E719 Y720	P635-L639 VanDerWaalsContact O-CB 3.28Å; P635-L639 WeakPolarHBondContact O-CB 3.33Å; P635-L639 PolarHBondContact O-N 3.23Å; L639-F651 HydrophobicContact CD1-CD1 4.2Å; L639-F651 HydrophobicContact CD1-CE1 4.05Å; L639-F651 HydrophobicContact CD2-CD1 3.82Å; L639-F651 HydrophobicContact CD2-CE1 4.48Å; L639-F651 HydrophobicContact CG-CD1 3.77Å; L639-F651 HydrophobicContact CG-CE1 3.97Å; L639-Q652 HydrophobicContact CD2-CB 4.38Å; L639-L702 HydrophobicContact CD1-CD2 3.99Å; L639-E719 HydrophobicContact CD2-CB 4.43Å; L639-Y720 HydrophobicContact CB-CD2 4.34Å; L639-Y720 HydrophobicContact CD1-CD2 4.33Å
640	I	86.6	Confident	88.8	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.202	C	C	.	.	I	π-helix	trans	-109.7	-55	-173.1	-48.1	-60.5	0	0	0	111.5	M636 I705 V710 H713 H716 L717 Y720	M636-I640 WeakPolarHBondContact O-CA 3.24Å; M636-I640 VanDerWaalsContact O-CB 3.23Å; M636-I640 WeakPolarHBondContact O-CB 3.32Å; M636-I640 PolarHBondContact O-N 3.12Å; M636-I640 VanDerWaalsContact O-N 3.14Å; M636-I640 HydrophobicContact SD-CB 3.84Å; M636-I640 HydrophobicContact SD-CG1 3.89Å; M636-I640 HydrophobicContact SD-CG2 4.01Å; I640-I705 HydrophobicContact CG1-CG2 4.11Å; I640-V710 HydrophobicContact CD1-CG1 4.2Å; I640-V710 HydrophobicContact CD1-CG2 3.97Å; I640-V710 HydrophobicContact CG1-CG2 4.24Å; I640-V710 HydrophobicContact CG2-CG1 4.35Å; I640-V710 HydrophobicContact CG2-CG2 4.25Å; I640-H713 HydrophobicContact CG2-CB 3.68Å; I640-H716 WeakPolarHBondContact O-CB 3.44Å; I640-L717 HydrophobicContact CD1-CD2 3.66Å; I640-L717 HydrophobicContact CG2-CD2 4.34Å; I640-Y720 HydrophobicContact CD1-CD2 3.69Å; I640-Y720 HydrophobicContact CD1-CE2 4.3Å; I640-Y720 HydrophobicContact CD1-CG 4.03Å
641	K	86.8	Confident	89.2	Confident	84 Å²	84	35 Å²	35	37%	0.365	17%	0.174	S	C	.	.	I	π-helix	trans	-86.8	-21.5	-171.9	-62.7	-173	172.3	-176.2	0	114.6	M636 Q637 P643	M636-K641 HydrophobicContact CG-CD 4.48Å; M636-K641 PolarHBondContact O-N 3.21Å; Q637-K641 CarbonylContact O-C 3.57Å; Q637-K641 PolarHBondContact O-N 2.95Å; K641-P643 WeakPolarHBondContact O-CD 3.21Å
642	C	89.3	Confident	89.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.			trans	-67.2	123.9	-177.4	-174.3	0	0	0	0	110.6	W157 Q637 I638 N644 R648	W157-C642 HydrophobicContact CH2-CB 3.64Å; W157-C642 VanDerWaalsContact CH2-SG 3.58Å; W157-C642 HydrophobicContact CZ2-CB 3.47Å; W157-C642 VanDerWaalsContact CZ2-CB 3.47Å; W157-C642 HydrophobicContact CZ3-CB 4.24Å; W157-C642 VanDerWaalsContact CZ3-SG 3.54Å; Q637-C642 WeakPolarHBondContact O-CB 3.36Å; Q637-C642 PolarHBondContact O-N 3.42Å; I638-C642 WeakPolarHBondContact O-CB 3.45Å; C642-N644 VanDerWaalsContact C-N 3.33Å; C642-R648 HydrophobicContact CB-CG 4.08Å; C642-R648 WeakPolarHBondContact O-CD 3.41Å; C642-R648 PolarHBondContact O-NH1 2.8Å
643	P	89.2	Confident	90.3	Very high	61 Å²	61	36.9 Å²	36.9	40%	0.396	17%	0.171	S	C	.	.			trans	-74.2	-27.1	176.4	29.2	-33.5	0	0	0	111.7	W157 K641 Q645 R648	W157-P643 HydrophobicContact CB-CG 4.05Å; W157-P643 VanDerWaalsContact CG-CD 3.44Å; W157-P643 HydrophobicContact CG-CG 3.94Å; K641-P643 WeakPolarHBondContact O-CD 3.21Å; P643-Q645 PolarHBondContact O-N 2.93Å; P643-R648 VanDerWaalsContact C-NH1 3.26Å; P643-R648 PolarHBondContact O-NH1 3.02Å
644	N	90.1	Very high	90.8	Very high	43 Å²	43	34.7 Å²	34.7	23%	0.23	16%	0.163	C	C	.	.			trans	-77	105	-173.9	-168	-50.2	0	0	0	112.8	C642 I646 V647 R648	C642-N644 VanDerWaalsContact C-N 3.33Å; N644-I646 VanDerWaalsContact C-N 3.29Å; N644-I646 PolarHBondContact O-N 3.14Å; N644-I646 WeakPolarHBondContact OD1-CB 3.34Å; N644-I646 PolarHBondContact OD1-N 2.9Å; N644-V647 HydrophobicContact CB-CB 4.19Å; N644-V647 HydrophobicContact CB-CG2 3.91Å; N644-V647 PolarHBondContact O-N 3.3Å; N644-V647 PolarHBondContact OD1-N 3.23Å; N644-R648 WeakPolarHBondContact O-CG 3.47Å; N644-R648 PolarHBondContact O-N 3.36Å
645	Q	90.6	Very high	91.3	Very high	97 Å²	97	34.6 Å²	34.6	45%	0.453	16%	0.163	S	C	.	.	H	α-helix	trans	-58.2	-37.1	-178.6	-172.8	176.2	21.3	0	0	113.8	P643 V647 R648 Q649 E719	P643-Q645 PolarHBondContact O-N 2.93Å; Q645-V647 VanDerWaalsContact C-N 3.34Å; Q645-V647 PolarHBondContact O-N 3.24Å; Q645-R648 PolarHBondContact O-N 3.45Å; Q645-Q649 HydrophobicContact CG-CG 4.29Å; Q645-Q649 VanDerWaalsContact NE2-NE2 3.16Å; Q645-Q649 WeakPolarHBondContact O-CG 3.35Å; Q645-Q649 PolarHBondContact O-N 3.36Å; Q645-E719 VanDerWaalsContact CG-OE1 3.31Å; Q645-E719 WeakPolarHBondContact CG-OE1 3.48Å; Q645-E719 PolarHBondContact NE2-OE1 2.94Å
646	I	90.7	Very high	91.6	Very high	98 Å²	98	35.2 Å²	35.2	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-43	-178.6	-60.2	175.2	0	0	0	109.8	M603 N644 R648 Q649 M650	M603-I646 HydrophobicContact SD-CG2 3.82Å; N644-I646 VanDerWaalsContact C-N 3.29Å; N644-I646 PolarHBondContact O-N 3.14Å; N644-I646 WeakPolarHBondContact OD1-CB 3.34Å; N644-I646 PolarHBondContact OD1-N 2.9Å; I646-R648 PolarHBondContact O-N 3.03Å; I646-Q649 PolarHBondContact O-N 3.23Å; I646-M650 HydrophobicContact CG2-CG 4.31Å; I646-M650 WeakPolarHBondContact O-CB 3.24Å; I646-M650 VanDerWaalsContact O-CG 3.29Å; I646-M650 WeakPolarHBondContact O-CG 3.32Å; I646-M650 PolarHBondContact O-N 3.13Å
647	V	92.9	Very high	92	Very high	4 Å²	4	36 Å²	36	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-48.5	176.1	174.7	0	0	0	0	110.4	I595 K600 M603 I638 N644 Q645 Q649 M650 F651	I595-V647 HydrophobicContact CB-CG1 3.94Å; I595-V647 HydrophobicContact CB-CG2 4.36Å; I595-V647 HydrophobicContact CD1-CG1 4.09Å; I595-V647 HydrophobicContact CG2-CG1 3.99Å; K600-V647 HydrophobicContact CD-CG2 4.43Å; M603-V647 HydrophobicContact CE-CG2 3.65Å; M603-V647 HydrophobicContact SD-CG2 4.4Å; I638-V647 HydrophobicContact CG2-CG1 4.11Å; N644-V647 HydrophobicContact CB-CB 4.19Å; N644-V647 HydrophobicContact CB-CG2 3.91Å; N644-V647 PolarHBondContact O-N 3.3Å; N644-V647 PolarHBondContact OD1-N 3.23Å; Q645-V647 VanDerWaalsContact C-N 3.34Å; Q645-V647 PolarHBondContact O-N 3.24Å; V647-Q649 PolarHBondContact O-N 3.37Å; V647-M650 PolarHBondContact O-N 3.38Å; V647-F651 WeakPolarHBondContact O-CB 3.34Å; V647-F651 PolarHBondContact O-N 2.97Å
648	R	93.8	Very high	92.5	Very high	11 Å²	11	35 Å²	35	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-44.6	178.4	-54.9	-157.1	-65.3	-80.4	-8.5	112.4	I638 C642 P643 N644 Q645 I646 F651 Q652 H716 E719	I638-R648 WeakPolarHBondContact O-CD 3.29Å; I638-R648 WeakPolarHBondContact O-CG 3.48Å; C642-R648 HydrophobicContact CB-CG 4.08Å; C642-R648 WeakPolarHBondContact O-CD 3.41Å; C642-R648 PolarHBondContact O-NH1 2.8Å; P643-R648 VanDerWaalsContact C-NH1 3.26Å; P643-R648 PolarHBondContact O-NH1 3.02Å; N644-R648 WeakPolarHBondContact O-CG 3.47Å; N644-R648 PolarHBondContact O-N 3.36Å; Q645-R648 PolarHBondContact O-N 3.45Å; I646-R648 PolarHBondContact O-N 3.03Å; R648-F651 PolarHBondContact O-N 2.98Å; R648-Q652 WeakPolarHBondContact O-CB 3.28Å; R648-Q652 PolarHBondContact O-N 3.03Å; R648-H716 PolarHBondContact NE-O 3.01Å; R648-E719 HydrophobicContact CB-CB 3.9Å; R648-E719 HydrophobicContact CB-CG 3.78Å; R648-E719 IonicContact CZ-OE2 2.66Å; R648-E719 IonicContact NE-OE2 3.97Å; R648-E719 PolarHBondContact NE-OE2 3.37Å; R648-E719 IonicContact NH2-OE2 3.15Å; R648-E719 PolarHBondContact NH2-OE2 3.2Å; R648-E719 VanDerWaalsContact NH2-OE2 3.12Å
649	Q	93.2	Very high	92.8	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-64.9	-42.7	179.5	-74.6	178.3	5.2	0	0	111.7	Q645 I646 V647 Q652 R653 E719	Q645-Q649 HydrophobicContact CG-CG 4.29Å; Q645-Q649 VanDerWaalsContact NE2-NE2 3.16Å; Q645-Q649 WeakPolarHBondContact O-CG 3.35Å; Q645-Q649 PolarHBondContact O-N 3.36Å; I646-Q649 PolarHBondContact O-N 3.23Å; V647-Q649 PolarHBondContact O-N 3.37Å; Q649-Q652 PolarHBondContact O-N 2.94Å; Q649-R653 WeakPolarHBondContact O-CB 3.45Å; Q649-R653 VanDerWaalsContact O-CG 3.24Å; Q649-R653 WeakPolarHBondContact O-CG 3.21Å; Q649-R653 PolarHBondContact O-N 3.34Å; Q649-E719 HydrophobicContact CB-CG 4.3Å; Q649-E719 HydrophobicContact CG-CG 3.49Å; Q649-E719 VanDerWaalsContact CG-CG 3.49Å; Q649-E719 WeakPolarHBondContact CG-OE1 3.23Å; Q649-E719 PolarHBondContact NE2-OE1 2.8Å
650	M	91.8	Very high	93.1	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-43.3	178.2	-71	-53.9	104.1	0	0	111.4	M603 L604 I607 I646 V647 R653 L654	M603-M650 HydrophobicContact SD-CG 4.25Å; L604-M650 HydrophobicContact CD2-SD 4.31Å; I607-M650 HydrophobicContact CD1-CB 3.88Å; I607-M650 HydrophobicContact CD1-CG 4.49Å; I607-M650 HydrophobicContact CG1-CB 3.98Å; I607-M650 HydrophobicContact CG1-CG 4.04Å; I607-M650 HydrophobicContact CG1-SD 4.15Å; I607-M650 HydrophobicContact CG2-SD 4.26Å; I646-M650 HydrophobicContact CG2-CG 4.31Å; I646-M650 WeakPolarHBondContact O-CB 3.24Å; I646-M650 VanDerWaalsContact O-CG 3.29Å; I646-M650 WeakPolarHBondContact O-CG 3.32Å; I646-M650 PolarHBondContact O-N 3.13Å; V647-M650 PolarHBondContact O-N 3.38Å; M650-R653 PolarHBondContact O-N 3.25Å; M650-L654 WeakPolarHBondContact O-CB 3.28Å; M650-L654 PolarHBondContact O-N 3.3Å
651	F	94.8	Very high	93.5	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-61.9	-47.7	176.3	-175	-102.2	0	0	0	111.8	L591 F624 M628 I638 L639 V647 R648 R653 L654 C655	L591-F651 HydrophobicContact CD1-CE2 4.39Å; L591-F651 HydrophobicContact CD2-CD2 3.95Å; L591-F651 HydrophobicContact CD2-CE2 4.05Å; F624-F651 HydrophobicContact CZ-CE2 4.15Å; M628-F651 HydrophobicContact CE-CE2 3.51Å; M628-F651 HydrophobicContact CE-CZ 3.64Å; M628-F651 HydrophobicContact SD-CE2 4.27Å; M628-F651 HydrophobicContact SD-CZ 3.76Å; I638-F651 HydrophobicContact CB-CD1 4.28Å; I638-F651 HydrophobicContact CB-CG 4.3Å; I638-F651 HydrophobicContact CD1-CD2 3.78Å; I638-F651 HydrophobicContact CD1-CE2 3.75Å; I638-F651 HydrophobicContact CD1-CG 4.33Å; I638-F651 HydrophobicContact CD1-CZ 4.28Å; I638-F651 HydrophobicContact CG2-CB 3.56Å; I638-F651 HydrophobicContact CG2-CD1 3.82Å; I638-F651 HydrophobicContact CG2-CD2 4.08Å; I638-F651 HydrophobicContact CG2-CG 3.55Å; L639-F651 HydrophobicContact CD1-CD1 4.2Å; L639-F651 HydrophobicContact CD1-CE1 4.05Å; L639-F651 HydrophobicContact CD2-CD1 3.82Å; L639-F651 HydrophobicContact CD2-CE1 4.48Å; L639-F651 HydrophobicContact CG-CD1 3.77Å; L639-F651 HydrophobicContact CG-CE1 3.97Å; V647-F651 WeakPolarHBondContact O-CB 3.34Å; V647-F651 PolarHBondContact O-N 2.97Å; R648-F651 PolarHBondContact O-N 2.98Å; F651-R653 VanDerWaalsContact C-N 3.35Å; F651-R653 PolarHBondContact O-N 3.1Å; F651-L654 PolarHBondContact O-N 3.49Å; F651-C655 PolarHBondContact O-N 3.13Å; F651-C655 PolarHBondContact O-SG 3.33Å; F651-C655 VanDerWaalsContact O-SG 3.36Å
652	Q	95.3	Very high	94	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-48.2	175.2	178	-89.9	-18.9	0	0	111.8	L639 R648 Q649 L654 C655 I656 E719 F723	L639-Q652 HydrophobicContact CD2-CB 4.38Å; R648-Q652 WeakPolarHBondContact O-CB 3.28Å; R648-Q652 PolarHBondContact O-N 3.03Å; Q649-Q652 PolarHBondContact O-N 2.94Å; Q652-L654 VanDerWaalsContact C-N 3.32Å; Q652-L654 PolarHBondContact O-N 2.95Å; Q652-C655 PolarHBondContact O-N 3.28Å; Q652-I656 WeakPolarHBondContact O-CB 3.49Å; Q652-I656 VanDerWaalsContact O-CG1 3.31Å; Q652-I656 WeakPolarHBondContact O-CG1 3.4Å; Q652-I656 PolarHBondContact O-N 3.25Å; Q652-E719 HydrophobicContact CB-CB 4.43Å; Q652-F723 HydrophobicContact CG-CB 3.73Å; Q652-F723 HydrophobicContact CG-CD2 4.32Å
653	R	94.7	Very high	94.2	Very high	156 Å²	156	45.1 Å²	45.1	59%	0.589	21%	0.205	S	C	*	.	H	α-helix	trans	-62.9	-39	178.3	-73.7	176.8	67.4	-176.7	-1.6	112.2	Q649 M650 F651 H657	Q649-R653 WeakPolarHBondContact O-CB 3.45Å; Q649-R653 VanDerWaalsContact O-CG 3.24Å; Q649-R653 WeakPolarHBondContact O-CG 3.21Å; Q649-R653 PolarHBondContact O-N 3.34Å; M650-R653 PolarHBondContact O-N 3.25Å; F651-R653 VanDerWaalsContact C-N 3.35Å; F651-R653 PolarHBondContact O-N 3.1Å; R653-H657 WeakPolarHBondContact O-CB 3.4Å; R653-H657 PolarHBondContact O-N 3.3Å
654	L	95.4	Very high	94.5	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-47.8	178.2	-172.1	65	0	0	0	111.2	L610 F614 F624 M650 F651 Q652 I656 H657 V658	L610-L654 HydrophobicContact CB-CD1 4.16Å; L610-L654 HydrophobicContact CD1-CD2 3.97Å; F614-L654 HydrophobicContact CD2-CD1 3.88Å; F614-L654 HydrophobicContact CE2-CD1 3.85Å; F614-L654 HydrophobicContact CE2-CD2 4.18Å; F614-L654 HydrophobicContact CE2-CG 4.14Å; F624-L654 HydrophobicContact CZ-CD2 4.39Å; M650-L654 WeakPolarHBondContact O-CB 3.28Å; M650-L654 PolarHBondContact O-N 3.3Å; F651-L654 PolarHBondContact O-N 3.49Å; Q652-L654 VanDerWaalsContact C-N 3.32Å; Q652-L654 PolarHBondContact O-N 2.95Å; L654-I656 PolarHBondContact O-N 2.89Å; L654-H657 PolarHBondContact O-N 3.23Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 3.28Å
655	C	96.4	Very high	94.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-45.7	176.6	-65.9	0	0	0	0	111.7	F651 Q652 H657 V658 I659 F698 F723	F651-C655 PolarHBondContact O-N 3.13Å; F651-C655 PolarHBondContact O-SG 3.33Å; F651-C655 VanDerWaalsContact O-SG 3.36Å; Q652-C655 PolarHBondContact O-N 3.28Å; C655-H657 PolarHBondContact O-N 2.88Å; C655-V658 PolarHBondContact O-N 3.39Å; C655-I659 VanDerWaalsContact O-CG1 3.3Å; C655-I659 WeakPolarHBondContact O-CG1 3.33Å; C655-I659 PolarHBondContact O-N 3.44Å; C655-F698 HydrophobicContact CB-CE1 4.18Å; C655-F723 HydrophobicContact CB-CD2 4.16Å; C655-F723 HydrophobicContact CB-CE2 3.66Å
656	I	96.6	Very high	94.8	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-44.2	176.3	-72.1	-64.7	0	0	0	111.6	Q652 L654 V658 I659 Q660 F723 E726 F727 M730	Q652-I656 WeakPolarHBondContact O-CB 3.49Å; Q652-I656 VanDerWaalsContact O-CG1 3.31Å; Q652-I656 WeakPolarHBondContact O-CG1 3.4Å; Q652-I656 PolarHBondContact O-N 3.25Å; L654-I656 PolarHBondContact O-N 2.89Å; I656-V658 PolarHBondContact O-N 2.89Å; I656-I659 PolarHBondContact O-N 3.02Å; I656-Q660 WeakPolarHBondContact O-CG 3.35Å; I656-Q660 PolarHBondContact O-N 3.16Å; I656-F723 HydrophobicContact CD1-CD2 3.7Å; I656-F723 HydrophobicContact CD1-CE2 3.72Å; I656-F723 HydrophobicContact CD1-CG 4.42Å; I656-F723 HydrophobicContact CD1-CZ 4.46Å; I656-F723 HydrophobicContact CG1-CD2 3.78Å; I656-F723 HydrophobicContact CG1-CE2 4.03Å; I656-E726 HydrophobicContact CD1-CB 3.88Å; I656-E726 HydrophobicContact CG1-CB 4.32Å; I656-F727 HydrophobicContact CD1-CB 4.43Å; I656-M730 HydrophobicContact CB-CE 4.3Å; I656-M730 HydrophobicContact CD1-CE 3.6Å; I656-M730 HydrophobicContact CG1-CE 4.49Å; I656-M730 HydrophobicContact CG2-CE 3.63Å
657	H	96.4	Very high	94.9	Very high	42 Å²	42	40.2 Å²	40.2	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.5	-178.9	84	0	0	0	111.7	N615 R653 L654 C655 I659 Q660 R661	N615-H657 PolarHBondContact OD1-CE1 3.37Å; N615-H657 PolarHBondContact OD1-NE2 2.92Å; R653-H657 WeakPolarHBondContact O-CB 3.4Å; R653-H657 PolarHBondContact O-N 3.3Å; L654-H657 PolarHBondContact O-N 3.23Å; C655-H657 PolarHBondContact O-N 2.88Å; H657-I659 PolarHBondContact O-N 3.27Å; H657-Q660 PolarHBondContact O-N 3.3Å; H657-R661 WeakPolarHBondContact O-CG 3.3Å; H657-R661 PolarHBondContact O-N 3Å
658	V	97.2	Very high	94.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-44.3	177.4	173.1	0	0	0	0	111.1	F614 C621 F624 L625 L654 C655 I656 Q660 R661 L662	F614-V658 HydrophobicContact CB-CG2 4.35Å; F614-V658 HydrophobicContact CD1-CG2 4.3Å; F614-V658 HydrophobicContact CD2-CG2 3.72Å; F614-V658 HydrophobicContact CE2-CG2 4.03Å; F614-V658 HydrophobicContact CG-CG2 3.88Å; F614-V658 HydrophobicContact CZ-CG2 4.46Å; C621-V658 HydrophobicContact CB-CG1 3.63Å; F624-V658 HydrophobicContact CD1-CB 4.3Å; F624-V658 HydrophobicContact CD1-CG1 4.1Å; F624-V658 HydrophobicContact CD1-CG2 3.98Å; F624-V658 HydrophobicContact CE1-CG2 4.29Å; L625-V658 HydrophobicContact CD1-CG1 3.99Å; L625-V658 HydrophobicContact CD2-CG1 4.28Å; L625-V658 HydrophobicContact CG-CG1 3.82Å; L654-V658 WeakPolarHBondContact O-CG2 3.47Å; L654-V658 PolarHBondContact O-N 3.28Å; C655-V658 PolarHBondContact O-N 3.39Å; I656-V658 PolarHBondContact O-N 2.89Å; V658-Q660 PolarHBondContact O-N 3.18Å; V658-R661 WeakPolarHBondContact O-CB 3.34Å; V658-R661 PolarHBondContact O-N 3.37Å; V658-L662 HydrophobicContact CG1-CD1 4.18Å; V658-L662 PolarHBondContact O-N 3.44Å; V658-L662 VanDerWaalsContact O-N 3.07Å
659	I	96.8	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-46	176.2	-68.4	169	0	0	0	111	L625 C655 I656 H657 R661 L662 R663 V695 F723 F727 M730	L625-I659 HydrophobicContact CD1-CG1 3.76Å; C655-I659 VanDerWaalsContact O-CG1 3.3Å; C655-I659 WeakPolarHBondContact O-CG1 3.33Å; C655-I659 PolarHBondContact O-N 3.44Å; I656-I659 PolarHBondContact O-N 3.02Å; H657-I659 PolarHBondContact O-N 3.27Å; I659-R661 PolarHBondContact O-N 2.98Å; I659-L662 CarbonylContact O-C 3.6Å; I659-L662 PolarHBondContact O-N 3.25Å; I659-R663 PolarHBondContact O-N 3.48Å; I659-V695 HydrophobicContact CB-CG1 4.47Å; I659-V695 HydrophobicContact CD1-CG1 4.09Å; I659-V695 HydrophobicContact CG1-CG1 3.9Å; I659-V695 HydrophobicContact CG1-CG2 4.29Å; I659-V695 HydrophobicContact CG2-CG1 3.82Å; I659-V695 HydrophobicContact CG2-CG2 4.47Å; I659-F723 HydrophobicContact CD1-CE2 3.84Å; I659-F723 HydrophobicContact CD1-CZ 3.56Å; I659-F727 HydrophobicContact CD1-CD2 4.21Å; I659-F727 HydrophobicContact CG2-CD2 4.07Å; I659-F727 HydrophobicContact CG2-CE2 4.05Å; I659-M730 HydrophobicContact CB-CE 4.46Å; I659-M730 HydrophobicContact CG2-CE 4.16Å; I659-M730 HydrophobicContact CG2-SD 3.84Å
660	Q	95.8	Very high	94.5	Very high	102 Å²	102	43 Å²	43	48%	0.477	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-35.3	176.6	-73.8	174.5	-8.8	0	0	112.5	I656 H657 V658 M730	I656-Q660 WeakPolarHBondContact O-CG 3.35Å; I656-Q660 PolarHBondContact O-N 3.16Å; H657-Q660 PolarHBondContact O-N 3.3Å; V658-Q660 PolarHBondContact O-N 3.18Å; Q660-M730 HydrophobicContact CG-CE 3.79Å; Q660-M730 HydrophobicContact CG-SD 3.92Å
661	R	96.2	Very high	94.3	Very high	122 Å²	122	46 Å²	46	46%	0.46	22%	0.218	S	C	.	.	H	α-helix	trans	-69.9	-35	175.4	-69.5	-55.6	-57.8	150	1.4	113	N615 H657 V658 I659	N615-R661 WeakPolarHBondContact OD1-CD 3.35Å; H657-R661 WeakPolarHBondContact O-CG 3.3Å; H657-R661 PolarHBondContact O-N 3Å; V658-R661 WeakPolarHBondContact O-CB 3.34Å; V658-R661 PolarHBondContact O-N 3.37Å; I659-R661 PolarHBondContact O-N 2.98Å
662	L	96	Very high	93.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-84.3	-23.1	179.7	-68.9	177.9	0	0	0	113.7	Q618 C621 E622 L625 V658 I659 P664 V665 H666 V695	Q618-L662 HydrophobicContact CG-CD2 3.81Å; C621-L662 HydrophobicContact CB-CD1 3.89Å; C621-L662 HydrophobicContact CB-CD2 3.66Å; C621-L662 HydrophobicContact CB-CG 3.74Å; E622-L662 HydrophobicContact CG-CD1 4.43Å; E622-L662 HydrophobicContact CG-CD2 3.8Å; L625-L662 HydrophobicContact CD1-CD1 3.75Å; V658-L662 HydrophobicContact CG1-CD1 4.18Å; V658-L662 PolarHBondContact O-N 3.44Å; V658-L662 VanDerWaalsContact O-N 3.07Å; I659-L662 CarbonylContact O-C 3.6Å; I659-L662 PolarHBondContact O-N 3.25Å; L662-P664 VanDerWaalsContact C-CD 3.42Å; L662-V665 PolarHBondContact O-N 3.29Å; L662-H666 PolarHBondContact O-CD2 3.05Å; L662-H666 PolarHBondContact O-N 3.17Å; L662-V695 HydrophobicContact CB-CG2 4.27Å; L662-V695 HydrophobicContact CD1-CG2 4.2Å
663	R	94.7	Very high	92.7	Very high	76 Å²	76	50.6 Å²	50.6	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-45.9	-47.2	-176.1	-171.8	-178.2	-173.3	-88.2	-11.5	114.4	I659 V665 H666 A667 E733 E734	I659-R663 PolarHBondContact O-N 3.48Å; R663-V665 PolarHBondContact O-N 3.3Å; R663-V665 VanDerWaalsContact O-N 3.09Å; R663-H666 PolarHBondContact O-N 3.33Å; R663-A667 HydrophobicContact CG-CB 4.06Å; R663-A667 VanDerWaalsContact O-CB 3.25Å; R663-A667 WeakPolarHBondContact O-CB 3.33Å; R663-A667 PolarHBondContact O-N 2.94Å; R663-E733 IonicContact NH2-OE2 2.68Å; R663-E733 PolarHBondContact NH2-OE2 3.49Å; R663-E733 VanDerWaalsContact NH2-OE2 3.07Å; R663-E734 WeakPolarHBondContact CD-OE1 3.48Å; R663-E734 IonicContact CZ-OE1 3.89Å; R663-E734 IonicContact NE-OE1 3.21Å; R663-E734 PolarHBondContact NE-OE1 2.95Å; R663-E734 IonicContact NE-OE2 2.9Å; R663-E734 IonicContact NH2-OE1 3.07Å; R663-E734 IonicContact NH2-OE2 2.85Å
664	P	94.9	Very high	91.2	Very high	107 Å²	107	44.1 Å²	44.1	70%	0.695	23%	0.227	S	C	*	.	H	α-helix	trans	-59.8	-25.1	-179.2	-23.7	35.2	0	0	0	114.4	L662	L662-P664 VanDerWaalsContact C-CD 3.42Å
665	V	93.6	Very high	89.4	Confident	62 Å²	62	51.4 Å²	51.4	38%	0.376	26%	0.263	S	S	.	.	H	α-helix	trans	-101.5	-29.1	-179.2	-176.5	0	0	0	0	111.3	L662 R663 H668	L662-V665 PolarHBondContact O-N 3.29Å; R663-V665 PolarHBondContact O-N 3.3Å; R663-V665 VanDerWaalsContact O-N 3.09Å; V665-H668 PolarHBondContact O-CE1 3.07Å; V665-H668 PolarHBondContact O-ND1 3.47Å; V665-H668 VanDerWaalsContact O-ND1 3.09Å
666	H	93.9	Very high	87.1	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.065	30%	0.298	C	S	.	.	H	α-helix	trans	-102.5	-24.2	-172	-76.1	-112.3	0	0	0	115.3	E622 L662 R663 H668 L669 Y670 S693 C694 V695	E622-H666 IonicContact OE1-NE2 2.77Å; L662-H666 PolarHBondContact O-CD2 3.05Å; L662-H666 PolarHBondContact O-N 3.17Å; R663-H666 PolarHBondContact O-N 3.33Å; H666-H668 VanDerWaalsContact C-N 3.27Å; H666-H668 PolarHBondContact O-N 3.03Å; H666-L669 WeakPolarHBondContact O-CA 3.31Å; H666-L669 VanDerWaalsContact O-CB 3.29Å; H666-L669 WeakPolarHBondContact O-CB 3.28Å; H666-L669 PolarHBondContact O-N 2.8Å; H666-Y670 HydrophobicContact CB-CE1 3.79Å; H666-Y670 WeakPolarHBondContact O-CD1 3.38Å; H666-Y670 WeakPolarHBondContact O-CE1 2.87Å; H666-S693 PolarHBondContact ND1-OG 3.47Å; H666-C694 PolarHBondContact CE1-SG 2.95Å; H666-V695 HydrophobicContact CB-CG2 4.4Å
667	A	92	Very high	84.6	Confident	13 Å²	13	66.7 Å²	66.7	11%	0.107	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-56	-40.8	-171.4	0	0	0	0	0	113.1	R663 L669 Y670	R663-A667 HydrophobicContact CG-CB 4.06Å; R663-A667 VanDerWaalsContact O-CB 3.25Å; R663-A667 WeakPolarHBondContact O-CB 3.33Å; R663-A667 PolarHBondContact O-N 2.94Å; A667-L669 PolarHBondContact O-N 3.43Å; A667-L669 VanDerWaalsContact O-N 3.13Å; A667-Y670 HydrophobicContact CB-CE2 4.4Å; A667-Y670 WeakPolarHBondContact O-CB 3.31Å; A667-Y670 PolarHBondContact O-N 2.91Å; A667-Y670 VanDerWaalsContact O-N 3.17Å
668	H	90.2	Very high	82.3	Confident	122 Å²	122	68.7 Å²	68.7	57%	0.565	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-67.8	-11	178.5	74.7	-84.5	0	0	0	114.5	V665 H666 Q672	V665-H668 PolarHBondContact O-CE1 3.07Å; V665-H668 PolarHBondContact O-ND1 3.47Å; V665-H668 VanDerWaalsContact O-ND1 3.09Å; H666-H668 VanDerWaalsContact C-N 3.27Å; H666-H668 PolarHBondContact O-N 3.03Å; H668-Q672 PolarHBondContact O-NE2 3.41Å
669	L	91.1	Very high	79.7	Confident	26 Å²	26	71.7 Å²	71.7	14%	0.136	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-94.6	-12	178	-56.8	175.8	0	0	0	112.6	H666 A667 L671 Q672	H666-L669 WeakPolarHBondContact O-CA 3.31Å; H666-L669 VanDerWaalsContact O-CB 3.29Å; H666-L669 WeakPolarHBondContact O-CB 3.28Å; H666-L669 PolarHBondContact O-N 2.8Å; A667-L669 PolarHBondContact O-N 3.43Å; A667-L669 VanDerWaalsContact O-N 3.13Å; L669-L671 VanDerWaalsContact C-N 3.29Å; L669-L671 PolarHBondContact O-N 3.04Å; L669-Q672 PolarHBondContact O-N 2.97Å; L669-Q672 VanDerWaalsContact O-N 3.1Å
670	Y	91.6	Very high	77.1	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.9	-168.7	-70.4	-3.7	0	0	0	113.8	H666 A667 G690 S693 V695 T696 F727 E733 E734 F737	H666-Y670 HydrophobicContact CB-CE1 3.79Å; H666-Y670 WeakPolarHBondContact O-CD1 3.38Å; H666-Y670 WeakPolarHBondContact O-CE1 2.87Å; A667-Y670 HydrophobicContact CB-CE2 4.4Å; A667-Y670 WeakPolarHBondContact O-CB 3.31Å; A667-Y670 PolarHBondContact O-N 2.91Å; A667-Y670 VanDerWaalsContact O-N 3.17Å; Y670-G690 VanDerWaalsContact O-CA 3.23Å; Y670-G690 WeakPolarHBondContact O-CA 3.43Å; Y670-S693 WeakPolarHBondContact CE1-OG 3.27Å; Y670-V695 HydrophobicContact CE1-CB 3.81Å; Y670-V695 HydrophobicContact CE1-CG1 4.04Å; Y670-V695 HydrophobicContact CE1-CG2 4.31Å; Y670-V695 WeakPolarHBondContact OH-CG1 3.5Å; Y670-T696 HydrophobicContact CD1-CG2 3.42Å; Y670-T696 VanDerWaalsContact CD1-CG2 3.42Å; Y670-T696 HydrophobicContact CD2-CG2 4.4Å; Y670-T696 HydrophobicContact CE1-CG2 4.09Å; Y670-T696 HydrophobicContact CG-CG2 3.59Å; Y670-F727 HydrophobicContact CE2-CE2 4.37Å; Y670-F727 HydrophobicContact CE2-CZ 4.24Å; Y670-E733 HydrophobicContact CD2-CB 4.19Å; Y670-E734 HydrophobicContact CD2-CG 4.41Å; Y670-E734 HydrophobicContact CE2-CG 3.84Å; Y670-F737 WeakPolarHBondContact O-CD2 3.16Å
671	L	86.1	Confident	74.5	Confident	78 Å²	78	81.2 Å²	81.2	41%	0.408	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.1	179.4	-59.3	177	0	0	0	113.1	L669 I689 Q736 F737	L669-L671 VanDerWaalsContact C-N 3.29Å; L669-L671 PolarHBondContact O-N 3.04Å; L671-I689 HydrophobicContact CD2-CG2 4.47Å; L671-Q736 HydrophobicContact CD1-CB 4.27Å; L671-Q736 HydrophobicContact CD2-CB 4.29Å; L671-F737 HydrophobicContact CD2-CB 4.33Å
672	Q	82.6	Confident	72.2	Confident	61 Å²	61	84.5 Å²	84.5	29%	0.285	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-84.7	134.2	-179.8	-62.5	-172.8	13.6	0	0	110.5	H668 L669 G690	H668-Q672 PolarHBondContact O-NE2 3.41Å; L669-Q672 PolarHBondContact O-N 2.97Å; L669-Q672 VanDerWaalsContact O-N 3.1Å; Q672-G690 WeakPolarHBondContact O-CA 3.45Å; Q672-G690 PolarHBondContact O-N 3.07Å
673	P	73.8	Confident	69.8	Low	62 Å²	62	92 Å²	92	40%	0.403	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-64.7	156.2	171.9	26.8	-31.8	0	0	0	111.1	A684 R692	P673-A684 HydrophobicContact CB-CB 3.84Å; P673-A684 HydrophobicContact CG-CB 4.43Å; P673-R692 WeakPolarHBondContact O-CD 3.32Å; P673-R692 WeakPolarHBondContact O-CG 3.35Å
674	G	63.9	Low	67.6	Low	20 Å²	20	91.1 Å²	91.1	21%	0.206	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-61	155.5	171.9	0	0	0	0	0	111.7	D688	G674-D688 WeakPolarHBondContact CA-OD2 3.48Å; G674-D688 PolarHBondContact N-O 2.92Å; G674-D688 PolarHBondContact N-OD2 3.06Å
675	M	57.8	Low	65.7	Low	158 Å²	158	89 Å²	89	78%	0.778	51%	0.507	S	S	*	.			trans	-88.4	112.4	167.3	-86.3	178	163.3	0	0	107.5
676	E	47.8	Very low	63.9	Low	157 Å²	157	91.1 Å²	91.1	73%	0.734	52%	0.52	S	S	*	.			trans	-73.6	140.6	152	-74	-168.3	161.8	0	0	108.4	G678	E676-G678 PolarHBondContact O-N 2.99Å
677	D	45.1	Very low	62.2	Low	177 Å²	177	98.2 Å²	98.2	95%	0.947	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	102.5	178.6	-103.6	-27.1	0	0	0	111
678	G	46.7	Very low	61	Low	85 Å²	85	99.9 Å²	99.9	88%	0.876	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.6	19	152.4	0	0	0	0	0	119.3	E676	E676-G678 PolarHBondContact O-N 2.99Å
679	S	42.7	Very low	60.6	Low	62 Å²	62	95.7 Å²	95.7	43%	0.434	54%	0.541	S	S	.	.			trans	-116.4	121.5	165.3	53.5	0	0	0	0	111.9	D681	S679-D681 PolarHBondContact O-N 2.98Å
680	D	43.4	Very low	60.1	Low	173 Å²	173	94.5 Å²	94.5	93%	0.925	54%	0.535	S	S	*	.			trans	-71.9	41.1	165.3	-78.7	-35	0	0	0	110.9	M682	D680-M682 PolarHBondContact O-N 3.12Å
681	D	41.3	Very low	59.7	Low	129 Å²	129	95.3 Å²	95.3	69%	0.69	54%	0.543	S	S	*	.			trans	-89.4	108.8	175.8	-83.4	-31.8	0	0	0	109.3	S679 D683	S679-D681 PolarHBondContact O-N 2.98Å; D681-D683 PolarHBondContact O-N 3.26Å
682	M	47.1	Very low	59.6	Low	192 Å²	192	97 Å²	97	95%	0.946	55%	0.545	S	S	*	.	S	Bend	trans	-71.9	39.4	178.7	-69.5	-86.1	-101.7	0	0	112.8	D680	D680-M682 PolarHBondContact O-N 3.12Å
683	D	46.2	Very low	60	Low	157 Å²	157	94.1 Å²	94.1	84%	0.84	53%	0.531	S	S	*	.			trans	-135.3	36.2	-177.6	-122.4	3.5	0	0	0	111.7	D681 S685	D681-D683 PolarHBondContact O-N 3.26Å; D683-S685 PolarHBondContact O-N 3.29Å
684	A	47.6	Very low	60.9	Low	59 Å²	59	91.4 Å²	91.4	49%	0.488	51%	0.513	S	S	.	.			trans	-61.3	125.2	167.6	0	0	0	0	0	109.5	P673	P673-A684 HydrophobicContact CB-CB 3.84Å; P673-A684 HydrophobicContact CG-CB 4.43Å
685	S	55	Low	62.4	Low	63 Å²	63	90.5 Å²	90.5	44%	0.441	50%	0.504	S	S	.	.			trans	-63	152	-178.6	67.5	0	0	0	0	111.2	D683 E687 D688	D683-S685 PolarHBondContact O-N 3.29Å; S685-E687 PolarHBondContact O-N 2.64Å; S685-D688 PolarHBondContact O-N 3.27Å
686	V	55.1	Low	64.1	Low	106 Å²	106	83 Å²	83	64%	0.642	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-53.9	-19.2	174.7	177.8	0	0	0	0	112.1	D688 I689	V686-D688 VanDerWaalsContact C-N 3.29Å; V686-D688 PolarHBondContact O-N 3.09Å; V686-I689 HydrophobicContact CG1-CD1 4Å; V686-I689 WeakPolarHBondContact O-CG1 3.28Å
687	E	58.6	Low	66.3	Low	162 Å²	162	79.6 Å²	79.6	76%	0.757	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-70.8	-17.5	178	-60.4	176.3	165.2	0	0	113.6	S685 R700	S685-E687 PolarHBondContact O-N 2.64Å; E687-R700 PolarHBondContact O-NH2 2.89Å
688	D	68.3	Low	68.6	Low	49 Å²	49	71.1 Å²	71.1	26%	0.262	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-100.2	0.9	-176.3	-165	32.9	0	0	0	114.5	G674 S685 V686 G690 G691	G674-D688 WeakPolarHBondContact CA-OD2 3.48Å; G674-D688 PolarHBondContact N-O 2.92Å; G674-D688 PolarHBondContact N-OD2 3.06Å; S685-D688 PolarHBondContact O-N 3.27Å; V686-D688 VanDerWaalsContact C-N 3.29Å; V686-D688 PolarHBondContact O-N 3.09Å; D688-G690 PolarHBondContact O-N 3.46Å; D688-G691 PolarHBondContact O-N 3.19Å; D688-G691 VanDerWaalsContact O-N 3.13Å
689	I	80.4	Confident	70.8	Confident	34 Å²	34	67.1 Å²	67.1	17%	0.174	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-60.5	120.2	179.5	-64.2	175.3	0	0	0	111.3	L671 V686 R700 F737	L671-I689 HydrophobicContact CD2-CG2 4.47Å; V686-I689 HydrophobicContact CG1-CD1 4Å; V686-I689 WeakPolarHBondContact O-CG1 3.28Å; I689-R700 PolarHBondContact O-NH2 3.31Å; I689-F737 HydrophobicContact CG2-CD2 4.49Å; I689-F737 WeakPolarHBondContact O-CE2 3.48Å
690	G	80.7	Confident	73.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	12.9	179.9	0	0	0	0	0	114.1	Y670 Q672 D688 R692 T696	Y670-G690 VanDerWaalsContact O-CA 3.23Å; Y670-G690 WeakPolarHBondContact O-CA 3.43Å; Q672-G690 WeakPolarHBondContact O-CA 3.45Å; Q672-G690 PolarHBondContact O-N 3.07Å; D688-G690 PolarHBondContact O-N 3.46Å; G690-R692 PolarHBondContact O-N 3.39Å; G690-T696 WeakPolarHBondContact O-CB 3.38Å; G690-T696 PolarHBondContact O-OG1 3.33Å
691	G	82.7	Confident	75.4	Confident	17 Å²	17	59.4 Å²	59.4	18%	0.175	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	175.8	0	0	0	0	0	114.6	D688	D688-G691 PolarHBondContact O-N 3.19Å; D688-G691 VanDerWaalsContact O-N 3.13Å
692	R	84.1	Confident	77.7	Confident	115 Å²	115	53.3 Å²	53.3	43%	0.434	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.9	-175.1	-59.6	-170.6	72.4	-171.6	8.4	115.5	P673 G690	P673-R692 WeakPolarHBondContact O-CD 3.32Å; P673-R692 WeakPolarHBondContact O-CG 3.35Å; G690-R692 PolarHBondContact O-N 3.39Å
693	S	92.4	Very high	79.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.			trans	-120.2	130.2	-175.5	162.8	0	0	0	0	111.3	H666 Y670 V695 T696 R697	H666-S693 PolarHBondContact ND1-OG 3.47Å; Y670-S693 WeakPolarHBondContact CE1-OG 3.27Å; S693-V695 PolarHBondContact O-N 2.95Å; S693-V695 PolarHBondContact OG-N 2.93Å; S693-T696 VanDerWaalsContact CB-OG1 3.25Å; S693-T696 WeakPolarHBondContact CB-OG1 3.45Å; S693-T696 PolarHBondContact O-N 3.47Å; S693-T696 PolarHBondContact O-OG1 2.82Å; S693-R697 WeakPolarHBondContact O-CG 3.23Å; S693-R697 PolarHBondContact O-N 3.29Å
694	C	92.9	Very high	81.6	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-33.7	175.5	64.2	0	0	0	0	112.8	L625 D626 H666 F698	L625-C694 HydrophobicContact CB-CB 4.06Å; D626-C694 WeakPolarHBondContact OD1-CB 3.49Å; H666-C694 PolarHBondContact CE1-SG 2.95Å; C694-F698 WeakPolarHBondContact O-CB 3.38Å; C694-F698 PolarHBondContact O-N 3.48Å
695	V	94.8	Very high	83.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-48.5	177.7	178.8	0	0	0	0	111.3	L625 I659 L662 H666 Y670 S693 F698 V699 F727	L625-V695 HydrophobicContact CD1-CB 4.34Å; L625-V695 HydrophobicContact CD1-CG2 3.65Å; I659-V695 HydrophobicContact CB-CG1 4.47Å; I659-V695 HydrophobicContact CD1-CG1 4.09Å; I659-V695 HydrophobicContact CG1-CG1 3.9Å; I659-V695 HydrophobicContact CG1-CG2 4.29Å; I659-V695 HydrophobicContact CG2-CG1 3.82Å; I659-V695 HydrophobicContact CG2-CG2 4.47Å; L662-V695 HydrophobicContact CB-CG2 4.27Å; L662-V695 HydrophobicContact CD1-CG2 4.2Å; H666-V695 HydrophobicContact CB-CG2 4.4Å; Y670-V695 HydrophobicContact CE1-CB 3.81Å; Y670-V695 HydrophobicContact CE1-CG1 4.04Å; Y670-V695 HydrophobicContact CE1-CG2 4.31Å; Y670-V695 WeakPolarHBondContact OH-CG1 3.5Å; S693-V695 PolarHBondContact O-N 2.95Å; S693-V695 PolarHBondContact OG-N 2.93Å; V695-F698 PolarHBondContact O-N 2.92Å; V695-V699 HydrophobicContact CG1-CG2 4.49Å; V695-V699 VanDerWaalsContact O-CG2 3.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.39Å; V695-V699 PolarHBondContact O-N 3.41Å; V695-F727 HydrophobicContact CG1-CE2 3.68Å; V695-F727 HydrophobicContact CG1-CZ 4.24Å
696	T	93.3	Very high	84.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-73.1	-36.1	-176.6	37	0	0	0	0	111.6	Y670 G690 S693 V699 R700 F737	Y670-T696 HydrophobicContact CD1-CG2 3.42Å; Y670-T696 VanDerWaalsContact CD1-CG2 3.42Å; Y670-T696 HydrophobicContact CD2-CG2 4.4Å; Y670-T696 HydrophobicContact CE1-CG2 4.09Å; Y670-T696 HydrophobicContact CG-CG2 3.59Å; G690-T696 WeakPolarHBondContact O-CB 3.38Å; G690-T696 PolarHBondContact O-OG1 3.33Å; S693-T696 VanDerWaalsContact CB-OG1 3.25Å; S693-T696 WeakPolarHBondContact CB-OG1 3.45Å; S693-T696 PolarHBondContact O-N 3.47Å; S693-T696 PolarHBondContact O-OG1 2.82Å; T696-V699 PolarHBondContact O-N 2.94Å; T696-R700 VanDerWaalsContact O-CB 3.32Å; T696-R700 WeakPolarHBondContact O-CB 3.41Å; T696-R700 PolarHBondContact O-N 3.49Å; T696-F737 HydrophobicContact CG2-CD1 3.75Å; T696-F737 HydrophobicContact CG2-CD2 3.69Å; T696-F737 HydrophobicContact CG2-CE1 3.57Å; T696-F737 HydrophobicContact CG2-CE2 3.51Å; T696-F737 HydrophobicContact CG2-CG 3.8Å; T696-F737 HydrophobicContact CG2-CZ 3.44Å; T696-F737 VanDerWaalsContact CG2-CZ 3.44Å; T696-F737 WeakPolarHBondContact O-CZ 3.3Å
697	R	93	Very high	85.4	Confident	86 Å²	86	34.2 Å²	34.2	33%	0.325	16%	0.161	S	C	.	.	H	α-helix	trans	-58.6	-49	169.5	-65.9	-166.1	-64.6	-167.7	0.6	111.2	D626 A629 S693 V699 R700 T701	D626-R697 IonicContact OD1-CZ 3.54Å; D626-R697 IonicContact OD1-NE 3.77Å; D626-R697 IonicContact OD1-NH2 3.9Å; D626-R697 PolarHBondContact OD1-NH2 3.34Å; D626-R697 IonicContact OD2-NH2 2.77Å; A629-R697 HydrophobicContact CB-CB 3.72Å; S693-R697 WeakPolarHBondContact O-CG 3.23Å; S693-R697 PolarHBondContact O-N 3.29Å; R697-V699 PolarHBondContact O-N 3.09Å; R697-R700 WeakPolarHBondContact O-CB 3.41Å; R697-R700 PolarHBondContact O-N 2.83Å; R697-T701 PolarHBondContact O-N 3.05Å; R697-T701 PolarHBondContact O-OG1 3.22Å; R697-T701 VanDerWaalsContact O-OG1 3.07Å
698	F	94.6	Very high	85.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-46.7	177.7	174	-121.7	0	0	0	113.1	L625 M628 A629 P635 C655 C694 V695 R700 T701 L702 F723	L625-F698 HydrophobicContact CD2-CD1 3.8Å; L625-F698 HydrophobicContact CD2-CE1 4.18Å; L625-F698 HydrophobicContact CD2-CG 4.24Å; M628-F698 HydrophobicContact CB-CD2 3.47Å; M628-F698 VanDerWaalsContact CB-CD2 3.47Å; M628-F698 HydrophobicContact CB-CE2 3.58Å; M628-F698 HydrophobicContact CB-CG 4.35Å; M628-F698 HydrophobicContact CG-CE2 4.37Å; A629-F698 HydrophobicContact CB-CB 4.12Å; P635-F698 HydrophobicContact CB-CE2 4.38Å; P635-F698 HydrophobicContact CG-CE2 3.79Å; C655-F698 HydrophobicContact CB-CE1 4.18Å; C694-F698 WeakPolarHBondContact O-CB 3.38Å; C694-F698 PolarHBondContact O-N 3.48Å; V695-F698 PolarHBondContact O-N 2.92Å; F698-R700 VanDerWaalsContact C-N 3.29Å; F698-R700 PolarHBondContact O-N 3.43Å; F698-T701 WeakPolarHBondContact O-CB 3.44Å; F698-T701 PolarHBondContact O-N 2.69Å; F698-L702 HydrophobicContact CE1-CD1 3.92Å; F698-L702 HydrophobicContact CE2-CD1 4.23Å; F698-L702 HydrophobicContact CE2-CD2 4.06Å; F698-L702 HydrophobicContact CE2-CG 4.04Å; F698-L702 HydrophobicContact CZ-CD1 3.76Å; F698-L702 HydrophobicContact CZ-CD2 4.16Å; F698-L702 HydrophobicContact CZ-CG 4.09Å; F698-L702 PolarHBondContact O-N 3.46Å; F698-F723 HydrophobicContact CD1-CZ 4.12Å; F698-F723 HydrophobicContact CE1-CE1 4.27Å; F698-F723 AromaticContact CE1-CE2 3.94Å; F698-F723 HydrophobicContact CE1-CE2 3.94Å; F698-F723 AromaticContact CE1-CZ 3.55Å; F698-F723 HydrophobicContact CE1-CZ 3.55Å; F698-F723 HydrophobicContact CZ-CZ 4.5Å
699	V	93.6	Very high	85.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-37.4	177.9	171.9	0	0	0	0	111.4	V695 T696 R697 L702 L703 F723 L724 F727 F737 L738	V695-V699 HydrophobicContact CG1-CG2 4.49Å; V695-V699 VanDerWaalsContact O-CG2 3.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.39Å; V695-V699 PolarHBondContact O-N 3.41Å; T696-V699 PolarHBondContact O-N 2.94Å; R697-V699 PolarHBondContact O-N 3.09Å; V699-L702 PolarHBondContact O-N 3.05Å; V699-L703 PolarHBondContact O-N 2.93Å; V699-L703 VanDerWaalsContact O-N 3.13Å; V699-F723 HydrophobicContact CG2-CE1 4.2Å; V699-F723 HydrophobicContact CG2-CZ 4.38Å; V699-L724 HydrophobicContact CG1-CD2 4.4Å; V699-F727 HydrophobicContact CG1-CD1 4.29Å; V699-F727 HydrophobicContact CG1-CE1 4.09Å; V699-F727 HydrophobicContact CG2-CD1 4.17Å; V699-F727 HydrophobicContact CG2-CD2 4.27Å; V699-F727 HydrophobicContact CG2-CE1 4Å; V699-F727 HydrophobicContact CG2-CE2 4.1Å; V699-F727 HydrophobicContact CG2-CG 4.3Å; V699-F727 HydrophobicContact CG2-CZ 3.96Å; V699-F737 HydrophobicContact CB-CE1 4.09Å; V699-F737 HydrophobicContact CG1-CD1 4.41Å; V699-F737 HydrophobicContact CG1-CE1 3.96Å; V699-L738 HydrophobicContact CG1-CD2 3.69Å
700	R	91.2	Very high	84.8	Confident	55 Å²	55	31.2 Å²	31.2	21%	0.208	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-46	173.3	-172.3	-171.2	-67.5	170.9	-7.4	111.2	E687 I689 T696 R697 F698 L702 L703 L704 L741	E687-R700 PolarHBondContact O-NH2 2.89Å; I689-R700 PolarHBondContact O-NH2 3.31Å; T696-R700 VanDerWaalsContact O-CB 3.32Å; T696-R700 WeakPolarHBondContact O-CB 3.41Å; T696-R700 PolarHBondContact O-N 3.49Å; R697-R700 WeakPolarHBondContact O-CB 3.41Å; R697-R700 PolarHBondContact O-N 2.83Å; F698-R700 VanDerWaalsContact C-N 3.29Å; F698-R700 PolarHBondContact O-N 3.43Å; R700-L702 VanDerWaalsContact C-N 3.29Å; R700-L702 PolarHBondContact O-N 3.32Å; R700-L703 PolarHBondContact O-N 3.19Å; R700-L703 VanDerWaalsContact O-N 3.11Å; R700-L704 HydrophobicContact CG-CD1 4.38Å; R700-L704 WeakPolarHBondContact O-CG 3.47Å; R700-L704 PolarHBondContact O-N 3.38Å; R700-L741 HydrophobicContact CB-CD1 4.2Å; R700-L741 HydrophobicContact CG-CD1 4.32Å
701	T	90.4	Very high	84.2	Confident	19 Å²	19	36.2 Å²	36.2	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-55.8	-42.9	175.8	-57.2	0	0	0	0	111.7	A629 D632 R697 F698 L704 I705	A629-T701 PolarHBondContact O-OG1 3.23Å; D632-T701 HydrophobicContact CB-CG2 3.48Å; D632-T701 VanDerWaalsContact CB-CG2 3.48Å; R697-T701 PolarHBondContact O-N 3.05Å; R697-T701 PolarHBondContact O-OG1 3.22Å; R697-T701 VanDerWaalsContact O-OG1 3.07Å; F698-T701 WeakPolarHBondContact O-CB 3.44Å; F698-T701 PolarHBondContact O-N 2.69Å; T701-L704 PolarHBondContact O-N 3.14Å; T701-I705 HydrophobicContact CG2-CD1 4.37Å; T701-I705 WeakPolarHBondContact O-CG1 3.46Å; T701-I705 PolarHBondContact O-N 3.27Å
702	L	90.4	Very high	83.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-49.3	174.3	-66.3	177.4	0	0	0	111.8	P635 L639 F698 V699 R700 L704 I705 M706 Y720 F723	P635-L702 HydrophobicContact CB-CD2 3.72Å; L639-L702 HydrophobicContact CD1-CD2 3.99Å; F698-L702 HydrophobicContact CE1-CD1 3.92Å; F698-L702 HydrophobicContact CE2-CD1 4.23Å; F698-L702 HydrophobicContact CE2-CD2 4.06Å; F698-L702 HydrophobicContact CE2-CG 4.04Å; F698-L702 HydrophobicContact CZ-CD1 3.76Å; F698-L702 HydrophobicContact CZ-CD2 4.16Å; F698-L702 HydrophobicContact CZ-CG 4.09Å; F698-L702 PolarHBondContact O-N 3.46Å; V699-L702 PolarHBondContact O-N 3.05Å; R700-L702 VanDerWaalsContact C-N 3.29Å; R700-L702 PolarHBondContact O-N 3.32Å; L702-L704 PolarHBondContact O-N 3.22Å; L702-I705 HydrophobicContact CD2-CD1 4.29Å; L702-I705 WeakPolarHBondContact O-CB 3.25Å; L702-I705 PolarHBondContact O-N 2.89Å; L702-I705 VanDerWaalsContact O-N 3.14Å; L702-M706 PolarHBondContact O-N 3.04Å; L702-Y720 HydrophobicContact CB-CE2 4.04Å; L702-Y720 HydrophobicContact CD2-CE2 4.1Å; L702-Y720 PolarHBondContact O-OH 2.96Å; L702-F723 HydrophobicContact CD1-CD1 3.42Å; L702-F723 VanDerWaalsContact CD1-CD1 3.42Å; L702-F723 HydrophobicContact CD1-CE1 3.2Å; L702-F723 HydrophobicContact CD1-CG 4.31Å; L702-F723 HydrophobicContact CD1-CZ 3.93Å
703	L	88.4	Confident	82.8	Confident	12 Å²	12	38 Å²	38	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-34.1	178.2	-69.5	174.4	0	0	0	112.8	V699 R700 M706 L724 L738 L741 A743	V699-L703 PolarHBondContact O-N 2.93Å; V699-L703 VanDerWaalsContact O-N 3.13Å; R700-L703 PolarHBondContact O-N 3.19Å; R700-L703 VanDerWaalsContact O-N 3.11Å; L703-M706 HydrophobicContact CD2-CE 4.04Å; L703-M706 WeakPolarHBondContact O-CB 3.32Å; L703-M706 PolarHBondContact O-N 3.38Å; L703-L724 HydrophobicContact CD2-CD1 4.1Å; L703-L724 HydrophobicContact CD2-CD2 4.41Å; L703-L738 HydrophobicContact CD1-CD2 4.05Å; L703-L741 HydrophobicContact CD1-CB 4.11Å; L703-L741 HydrophobicContact CD1-CD1 3.8Å; L703-A743 HydrophobicContact CD1-CB 4.11Å; L703-A743 HydrophobicContact CD2-CB 4.17Å
704	L	86.2	Confident	81.8	Confident	90 Å²	90	41 Å²	41	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-68.1	-42.6	174.2	-70.7	170.9	0	0	0	112.4	R700 T701 L702 M706 E707	R700-L704 HydrophobicContact CG-CD1 4.38Å; R700-L704 WeakPolarHBondContact O-CG 3.47Å; R700-L704 PolarHBondContact O-N 3.38Å; T701-L704 PolarHBondContact O-N 3.14Å; L702-L704 PolarHBondContact O-N 3.22Å; L704-M706 PolarHBondContact O-N 3.05Å; L704-E707 PolarHBondContact O-N 3.35Å
705	I	84.9	Confident	81	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-52.3	-42.7	174.6	-76.5	162.6	0	0	0	110.5	D632 P635 M636 I640 T701 L702 E707 H708 G709 V710	D632-I705 HydrophobicContact CB-CD1 3.95Å; D632-I705 HydrophobicContact CB-CG1 4.08Å; P635-I705 HydrophobicContact CB-CD1 3.83Å; M636-I705 HydrophobicContact CE-CB 4.25Å; M636-I705 HydrophobicContact CE-CG1 4.15Å; M636-I705 HydrophobicContact CE-CG2 3.48Å; M636-I705 VanDerWaalsContact CE-CG2 3.48Å; M636-I705 HydrophobicContact SD-CG2 4.07Å; I640-I705 HydrophobicContact CG1-CG2 4.11Å; T701-I705 HydrophobicContact CG2-CD1 4.37Å; T701-I705 WeakPolarHBondContact O-CG1 3.46Å; T701-I705 PolarHBondContact O-N 3.27Å; L702-I705 HydrophobicContact CD2-CD1 4.29Å; L702-I705 WeakPolarHBondContact O-CB 3.25Å; L702-I705 PolarHBondContact O-N 2.89Å; L702-I705 VanDerWaalsContact O-N 3.14Å; I705-E707 VanDerWaalsContact C-N 3.26Å; I705-E707 PolarHBondContact O-N 2.94Å; I705-H708 PolarHBondContact O-N 3.48Å; I705-H708 VanDerWaalsContact O-N 3.12Å; I705-G709 PolarHBondContact O-N 2.95Å; I705-G709 VanDerWaalsContact O-N 3.09Å; I705-V710 HydrophobicContact CG2-CG2 3.69Å; I705-V710 WeakPolarHBondContact O-CG2 3.46Å
706	M	80.2	Confident	80.4	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-31.8	179.5	-170.5	171	65.8	0	0	113.6	L702 L703 L704 Y720 F721 T746 M747 F750	L702-M706 PolarHBondContact O-N 3.04Å; L703-M706 HydrophobicContact CD2-CE 4.04Å; L703-M706 WeakPolarHBondContact O-CB 3.32Å; L703-M706 PolarHBondContact O-N 3.38Å; L704-M706 PolarHBondContact O-N 3.05Å; M706-Y720 HydrophobicContact SD-CE1 4.09Å; M706-F721 HydrophobicContact SD-CE1 3.98Å; M706-F721 HydrophobicContact SD-CZ 4.23Å; M706-T746 HydrophobicContact CE-CG2 3.42Å; M706-T746 VanDerWaalsContact CE-CG2 3.42Å; M706-M747 HydrophobicContact CE-CB 4.39Å; M706-M747 HydrophobicContact CE-CG 3.63Å; M706-M747 HydrophobicContact SD-CG 3.94Å; M706-F750 HydrophobicContact CG-CB 4.11Å; M706-F750 HydrophobicContact CG-CD1 4.36Å; M706-F750 HydrophobicContact CG-CD2 3.89Å; M706-F750 HydrophobicContact CG-CE2 4.46Å; M706-F750 HydrophobicContact CG-CG 3.85Å; M706-F750 WeakPolarHBondContact O-CD2 3.45Å; M706-F750 HydrophobicContact SD-CB 4.47Å; M706-F750 HydrophobicContact SD-CG 4.42Å
707	E	72.6	Confident	80.1	Confident	67 Å²	67	49.9 Å²	49.9	31%	0.313	25%	0.251	S	S	.	.	H	α-helix	trans	-74.7	-25.7	178	-66	-164.9	130.6	0	0	112.6	L704 I705 T746 K755	L704-E707 PolarHBondContact O-N 3.35Å; I705-E707 VanDerWaalsContact C-N 3.26Å; I705-E707 PolarHBondContact O-N 2.94Å; E707-T746 HydrophobicContact CG-CG2 3.52Å; E707-K755 IonicContact OE1-NZ 2.83Å; E707-K755 PolarHBondContact OE1-NZ 2.87Å
708	H	65.8	Low	80	Confident	151 Å²	151	47 Å²	47	70%	0.699	24%	0.244	S	C	*	.	H	α-helix	trans	-127.7	-1.7	-163.9	-69.2	-65.1	0	0	0	118.4	I705	I705-H708 PolarHBondContact O-N 3.48Å; I705-H708 VanDerWaalsContact O-N 3.12Å
709	G	61.2	Low	79.9	Confident	27 Å²	27	47.3 Å²	47.3	28%	0.278	25%	0.245	S	C	.	.	S	Bend	trans	-153	7.1	-174.7	0	0	0	0	0	118.6	I705	I705-G709 PolarHBondContact O-N 2.95Å; I705-G709 VanDerWaalsContact O-N 3.09Å
710	V	67.3	Low	79.8	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	25%	0.245	C	C	.	.			trans	-104.1	-20.4	-160.2	-179.9	0	0	0	0	114.8	I640 I705 H713 L717 F750	I640-V710 HydrophobicContact CD1-CG1 4.2Å; I640-V710 HydrophobicContact CD1-CG2 3.97Å; I640-V710 HydrophobicContact CG1-CG2 4.24Å; I640-V710 HydrophobicContact CG2-CG1 4.35Å; I640-V710 HydrophobicContact CG2-CG2 4.25Å; I705-V710 HydrophobicContact CG2-CG2 3.69Å; I705-V710 WeakPolarHBondContact O-CG2 3.46Å; V710-H713 PolarHBondContact O-N 3.19Å; V710-H713 VanDerWaalsContact O-N 3.13Å; V710-L717 HydrophobicContact CG1-CD1 3.43Å; V710-L717 VanDerWaalsContact CG1-CD1 3.43Å; V710-L717 HydrophobicContact CG1-CD2 3.23Å; V710-L717 HydrophobicContact CG1-CG 3.93Å; V710-F750 HydrophobicContact CB-CE2 3.83Å; V710-F750 HydrophobicContact CB-CZ 4.27Å; V710-F750 HydrophobicContact CG1-CE2 3.87Å; V710-F750 HydrophobicContact CG1-CZ 3.79Å
711	K	68.3	Low	79.9	Confident	106 Å²	106	45 Å²	45	46%	0.461	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59.1	-42.8	-174.1	-72.4	-175.8	-177.4	171.3	0	114.9	H713 S714 F750	K711-H713 PolarHBondContact O-N 2.96Å; K711-S714 PolarHBondContact O-N 3.4Å; K711-F750 HydrophobicContact CG-CE2 4.18Å
712	P	67.4	Low	80.1	Confident	111 Å²	111	44.8 Å²	44.8	72%	0.721	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-62.3	-25.5	178.1	-23.2	35	0	0	0	113.6
713	H	70.8	Confident	80.3	Confident	57 Å²	57	44.7 Å²	44.7	26%	0.264	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-110.2	27.8	-173.5	-57.2	-69.8	0	0	0	113.2	I640 V710 K711 K715 H716	I640-H713 HydrophobicContact CG2-CB 3.68Å; V710-H713 PolarHBondContact O-N 3.19Å; V710-H713 VanDerWaalsContact O-N 3.13Å; K711-H713 PolarHBondContact O-N 2.96Å; H713-K715 PolarHBondContact O-N 3.26Å; H713-H716 PolarHBondContact O-N 3.13Å
714	S	71.3	Confident	80.7	Confident	65 Å²	65	44.2 Å²	44.2	46%	0.455	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56.1	-22.6	-174.9	62.2	0	0	0	0	115	K711 H716	K711-S714 PolarHBondContact O-N 3.4Å; S714-H716 VanDerWaalsContact C-N 3.28Å; S714-H716 PolarHBondContact O-N 3.49Å
715	K	75.2	Confident	81.1	Confident	147 Å²	147	42.3 Å²	42.3	64%	0.639	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.3	-22.6	176.2	-61.1	-179.9	-172	170.8	0	113.4	H713 E774	H713-K715 PolarHBondContact O-N 3.26Å; K715-E774 IonicContact NZ-OE2 3.71Å; K715-E774 PolarHBondContact NZ-OE2 3.48Å
716	H	82.3	Confident	81.6	Confident	39 Å²	39	45.3 Å²	45.3	18%	0.181	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-104.8	4.7	-169.6	-54.8	-38.4	0	0	0	115.1	I640 R648 H713 S714 T718	I640-H716 WeakPolarHBondContact O-CB 3.44Å; R648-H716 PolarHBondContact NE-O 3.01Å; H713-H716 PolarHBondContact O-N 3.13Å; S714-H716 VanDerWaalsContact C-N 3.28Å; S714-H716 PolarHBondContact O-N 3.49Å; H716-T718 VanDerWaalsContact C-N 3.29Å; H716-T718 PolarHBondContact O-N 3Å
717	L	87	Confident	82.4	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	3.5	-167.8	-50.5	-178.5	0	0	0	116.1	I640 V710 E719 Y720 F721 F750 A791	I640-L717 HydrophobicContact CD1-CD2 3.66Å; I640-L717 HydrophobicContact CG2-CD2 4.34Å; V710-L717 HydrophobicContact CG1-CD1 3.43Å; V710-L717 VanDerWaalsContact CG1-CD1 3.43Å; V710-L717 HydrophobicContact CG1-CD2 3.23Å; V710-L717 HydrophobicContact CG1-CG 3.93Å; L717-E719 PolarHBondContact O-N 3.06Å; L717-Y720 WeakPolarHBondContact O-CB 3.43Å; L717-Y720 PolarHBondContact O-N 2.96Å; L717-F721 HydrophobicContact CB-CD2 3.94Å; L717-F721 HydrophobicContact CB-CE2 3.86Å; L717-F721 HydrophobicContact CD1-CE2 4.04Å; L717-F721 WeakPolarHBondContact O-CD2 3.26Å; L717-F721 PolarHBondContact O-N 3.11Å; L717-F750 HydrophobicContact CD1-CE1 4.05Å; L717-F750 HydrophobicContact CD1-CZ 3.71Å; L717-A791 HydrophobicContact CB-CB 3.88Å
718	T	90.7	Very high	83.4	Confident	27 Å²	27	42 Å²	42	17%	0.166	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-48.3	-175.1	-57.8	0	0	0	0	111.2	H716 Y720 A722 A790 A791 K794	H716-T718 VanDerWaalsContact C-N 3.29Å; H716-T718 PolarHBondContact O-N 3Å; T718-Y720 VanDerWaalsContact C-N 3.35Å; T718-A722 VanDerWaalsContact O-CB 3.23Å; T718-A722 WeakPolarHBondContact O-CB 3.23Å; T718-A722 PolarHBondContact O-N 3.38Å; T718-A790 HydrophobicContact CG2-CB 3.99Å; T718-A791 PolarHBondContact OG1-N 3.16Å; T718-K794 HydrophobicContact CG2-CG 4.46Å
719	E	93.5	Very high	84.8	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.028	21%	0.212	C	C	.	.	H	α-helix	trans	-70.3	-31.7	179.2	-70.4	73	-151	0	0	112.5	L639 Q645 R648 Q649 Q652 L717 A722 F723	L639-E719 HydrophobicContact CD2-CB 4.43Å; Q645-E719 VanDerWaalsContact CG-OE1 3.31Å; Q645-E719 WeakPolarHBondContact CG-OE1 3.48Å; Q645-E719 PolarHBondContact NE2-OE1 2.94Å; R648-E719 HydrophobicContact CB-CB 3.9Å; R648-E719 HydrophobicContact CB-CG 3.78Å; R648-E719 IonicContact CZ-OE2 2.66Å; R648-E719 IonicContact NE-OE2 3.97Å; R648-E719 PolarHBondContact NE-OE2 3.37Å; R648-E719 IonicContact NH2-OE2 3.15Å; R648-E719 PolarHBondContact NH2-OE2 3.2Å; R648-E719 VanDerWaalsContact NH2-OE2 3.12Å; Q649-E719 HydrophobicContact CB-CG 4.3Å; Q649-E719 HydrophobicContact CG-CG 3.49Å; Q649-E719 VanDerWaalsContact CG-CG 3.49Å; Q649-E719 WeakPolarHBondContact CG-OE1 3.23Å; Q649-E719 PolarHBondContact NE2-OE1 2.8Å; Q652-E719 HydrophobicContact CB-CB 4.43Å; L717-E719 PolarHBondContact O-N 3.06Å; E719-A722 PolarHBondContact O-N 3.48Å; E719-F723 PolarHBondContact O-N 3.33Å
720	Y	91.9	Very high	86.3	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-51.4	174.5	177.8	-87.9	0	0	0	111.9	L639 I640 L702 M706 L717 T718 F723 L724	L639-Y720 HydrophobicContact CB-CD2 4.34Å; L639-Y720 HydrophobicContact CD1-CD2 4.33Å; I640-Y720 HydrophobicContact CD1-CD2 3.69Å; I640-Y720 HydrophobicContact CD1-CE2 4.3Å; I640-Y720 HydrophobicContact CD1-CG 4.03Å; L702-Y720 HydrophobicContact CB-CE2 4.04Å; L702-Y720 HydrophobicContact CD2-CE2 4.1Å; L702-Y720 PolarHBondContact O-OH 2.96Å; M706-Y720 HydrophobicContact SD-CE1 4.09Å; L717-Y720 WeakPolarHBondContact O-CB 3.43Å; L717-Y720 PolarHBondContact O-N 2.96Å; T718-Y720 VanDerWaalsContact C-N 3.35Å; Y720-F723 WeakPolarHBondContact O-CB 3.47Å; Y720-F723 PolarHBondContact O-N 3.1Å; Y720-L724 HydrophobicContact CD1-CD1 4.44Å; Y720-L724 HydrophobicContact CE1-CD1 3.72Å; Y720-L724 PolarHBondContact O-N 3.49Å
721	F	92.1	Very high	87.4	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-71.2	-31.1	176.2	-72.2	-65.1	0	0	0	112.6	M706 L717 F723 L724 Y725 M747 F750 A791 K794 M795	M706-F721 HydrophobicContact SD-CE1 3.98Å; M706-F721 HydrophobicContact SD-CZ 4.23Å; L717-F721 HydrophobicContact CB-CD2 3.94Å; L717-F721 HydrophobicContact CB-CE2 3.86Å; L717-F721 HydrophobicContact CD1-CE2 4.04Å; L717-F721 WeakPolarHBondContact O-CD2 3.26Å; L717-F721 PolarHBondContact O-N 3.11Å; F721-F723 VanDerWaalsContact C-N 3.3Å; F721-F723 PolarHBondContact O-N 3.42Å; F721-L724 PolarHBondContact O-N 3.43Å; F721-Y725 VanDerWaalsContact O-CB 3.27Å; F721-Y725 WeakPolarHBondContact O-CB 3.39Å; F721-Y725 PolarHBondContact O-N 3.48Å; F721-M747 HydrophobicContact CD1-SD 4.42Å; F721-M747 HydrophobicContact CE1-CG 4.24Å; F721-M747 HydrophobicContact CE1-SD 4.21Å; F721-F750 HydrophobicContact CE2-CE1 4.48Å; F721-F750 HydrophobicContact CZ-CD1 4.27Å; F721-F750 HydrophobicContact CZ-CE1 4.08Å; F721-A791 HydrophobicContact CD2-CB 4.14Å; F721-K794 HydrophobicContact CB-CB 3.7Å; F721-M795 HydrophobicContact CD1-CB 3.78Å; F721-M795 HydrophobicContact CD1-CG 3.87Å; F721-M795 HydrophobicContact CD2-CB 4.16Å; F721-M795 HydrophobicContact CE1-CB 3.94Å; F721-M795 HydrophobicContact CE1-CG 3.59Å; F721-M795 HydrophobicContact CE1-SD 3.95Å; F721-M795 HydrophobicContact CE2-CB 4.29Å; F721-M795 HydrophobicContact CE2-SD 4.41Å; F721-M795 HydrophobicContact CG-CB 3.91Å; F721-M795 HydrophobicContact CG-CG 4.47Å; F721-M795 HydrophobicContact CZ-CB 4.19Å; F721-M795 HydrophobicContact CZ-CG 3.97Å; F721-M795 HydrophobicContact CZ-SD 3.77Å
722	A	94.3	Very high	88.4	Confident	15 Å²	15	42.5 Å²	42.5	12%	0.124	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-37.3	172.5	0	0	0	0	0	111.8	T718 E719 E726 K794	T718-A722 VanDerWaalsContact O-CB 3.23Å; T718-A722 WeakPolarHBondContact O-CB 3.23Å; T718-A722 PolarHBondContact O-N 3.38Å; E719-A722 PolarHBondContact O-N 3.48Å; A722-E726 WeakPolarHBondContact O-CB 3.45Å; A722-E726 WeakPolarHBondContact O-CG 3.11Å; A722-E726 PolarHBondContact O-N 3.2Å; A722-K794 HydrophobicContact CB-CD 4.42Å; A722-K794 HydrophobicContact CB-CG 4.5Å
723	F	95.9	Very high	89.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-56	172.6	174.8	-89.5	0	0	0	111.4	Q652 C655 I656 I659 F698 V699 L702 E719 Y720 F721 Y725 E726 F727	Q652-F723 HydrophobicContact CG-CB 3.73Å; Q652-F723 HydrophobicContact CG-CD2 4.32Å; C655-F723 HydrophobicContact CB-CD2 4.16Å; C655-F723 HydrophobicContact CB-CE2 3.66Å; I656-F723 HydrophobicContact CD1-CD2 3.7Å; I656-F723 HydrophobicContact CD1-CE2 3.72Å; I656-F723 HydrophobicContact CD1-CG 4.42Å; I656-F723 HydrophobicContact CD1-CZ 4.46Å; I656-F723 HydrophobicContact CG1-CD2 3.78Å; I656-F723 HydrophobicContact CG1-CE2 4.03Å; I659-F723 HydrophobicContact CD1-CE2 3.84Å; I659-F723 HydrophobicContact CD1-CZ 3.56Å; F698-F723 HydrophobicContact CD1-CZ 4.12Å; F698-F723 HydrophobicContact CE1-CE1 4.27Å; F698-F723 AromaticContact CE1-CE2 3.94Å; F698-F723 HydrophobicContact CE1-CE2 3.94Å; F698-F723 AromaticContact CE1-CZ 3.55Å; F698-F723 HydrophobicContact CE1-CZ 3.55Å; F698-F723 HydrophobicContact CZ-CZ 4.5Å; V699-F723 HydrophobicContact CG2-CE1 4.2Å; V699-F723 HydrophobicContact CG2-CZ 4.38Å; L702-F723 HydrophobicContact CD1-CD1 3.42Å; L702-F723 VanDerWaalsContact CD1-CD1 3.42Å; L702-F723 HydrophobicContact CD1-CE1 3.2Å; L702-F723 HydrophobicContact CD1-CG 4.31Å; L702-F723 HydrophobicContact CD1-CZ 3.93Å; E719-F723 PolarHBondContact O-N 3.33Å; Y720-F723 WeakPolarHBondContact O-CB 3.47Å; Y720-F723 PolarHBondContact O-N 3.1Å; F721-F723 VanDerWaalsContact C-N 3.3Å; F721-F723 PolarHBondContact O-N 3.42Å; F723-Y725 VanDerWaalsContact C-N 3.28Å; F723-Y725 PolarHBondContact O-N 3.22Å; F723-E726 PolarHBondContact O-N 3.47Å; F723-F727 WeakPolarHBondContact O-CB 3.43Å; F723-F727 PolarHBondContact O-N 3.4Å
724	L	94.9	Very high	90.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-38.1	-177.9	-67.2	174.7	0	0	0	111.7	V699 L703 Y720 F721 F727 A728 L798	V699-L724 HydrophobicContact CG1-CD2 4.4Å; L703-L724 HydrophobicContact CD2-CD1 4.1Å; L703-L724 HydrophobicContact CD2-CD2 4.41Å; Y720-L724 HydrophobicContact CD1-CD1 4.44Å; Y720-L724 HydrophobicContact CE1-CD1 3.72Å; Y720-L724 PolarHBondContact O-N 3.49Å; F721-L724 PolarHBondContact O-N 3.43Å; L724-F727 PolarHBondContact O-N 3Å; L724-A728 WeakPolarHBondContact O-CB 3.5Å; L724-A728 PolarHBondContact O-N 3.33Å; L724-L798 HydrophobicContact CB-CD2 3.39Å; L724-L798 HydrophobicContact CD1-CD2 4.24Å; L724-L798 HydrophobicContact CG-CD2 4.47Å
725	Y	95.3	Very high	91.7	Very high	50 Å²	50	35 Å²	35	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-50.1	174	-179.6	-109.2	0	0	0	112.9	F721 F723 F727 A728 K729 A797 L798 L801	F721-Y725 VanDerWaalsContact O-CB 3.27Å; F721-Y725 WeakPolarHBondContact O-CB 3.39Å; F721-Y725 PolarHBondContact O-N 3.48Å; F723-Y725 VanDerWaalsContact C-N 3.28Å; F723-Y725 PolarHBondContact O-N 3.22Å; Y725-F727 VanDerWaalsContact C-N 3.33Å; Y725-F727 PolarHBondContact O-N 2.92Å; Y725-A728 PolarHBondContact O-N 3.29Å; Y725-K729 HydrophobicContact CE1-CD 4.36Å; Y725-K729 WeakPolarHBondContact O-CB 3.46Å; Y725-K729 PolarHBondContact O-N 2.9Å; Y725-K729 VanDerWaalsContact O-N 3.1Å; Y725-A797 HydrophobicContact CD2-CB 4.1Å; Y725-A797 HydrophobicContact CE2-CB 3.84Å; Y725-L798 HydrophobicContact CD2-CB 4.06Å; Y725-L801 HydrophobicContact CD2-CD2 4.43Å; Y725-L801 HydrophobicContact CE2-CB 4.48Å; Y725-L801 HydrophobicContact CE2-CD2 4.15Å
726	E	95.8	Very high	92.4	Very high	67 Å²	67	30.2 Å²	30.2	31%	0.313	15%	0.149	S	C	.	.	H	α-helix	trans	-67.2	-34.7	179.5	-70.1	-62.3	146.4	0	0	111.9	I656 A722 F723 K729 M730	I656-E726 HydrophobicContact CD1-CB 3.88Å; I656-E726 HydrophobicContact CG1-CB 4.32Å; A722-E726 WeakPolarHBondContact O-CB 3.45Å; A722-E726 WeakPolarHBondContact O-CG 3.11Å; A722-E726 PolarHBondContact O-N 3.2Å; F723-E726 PolarHBondContact O-N 3.47Å; E726-K729 PolarHBondContact O-N 2.77Å; E726-M730 VanDerWaalsContact O-CG 3.26Å; E726-M730 WeakPolarHBondContact O-CG 3.36Å; E726-M730 PolarHBondContact O-N 3.35Å
727	F	96.3	Very high	92.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-51.3	172.5	179.2	-105.4	0	0	0	111.6	I656 I659 Y670 V695 V699 F723 L724 Y725 K729 M730 E734 F737 L738	I656-F727 HydrophobicContact CD1-CB 4.43Å; I659-F727 HydrophobicContact CD1-CD2 4.21Å; I659-F727 HydrophobicContact CG2-CD2 4.07Å; I659-F727 HydrophobicContact CG2-CE2 4.05Å; Y670-F727 HydrophobicContact CE2-CE2 4.37Å; Y670-F727 HydrophobicContact CE2-CZ 4.24Å; V695-F727 HydrophobicContact CG1-CE2 3.68Å; V695-F727 HydrophobicContact CG1-CZ 4.24Å; V699-F727 HydrophobicContact CG1-CD1 4.29Å; V699-F727 HydrophobicContact CG1-CE1 4.09Å; V699-F727 HydrophobicContact CG2-CD1 4.17Å; V699-F727 HydrophobicContact CG2-CD2 4.27Å; V699-F727 HydrophobicContact CG2-CE1 4Å; V699-F727 HydrophobicContact CG2-CE2 4.1Å; V699-F727 HydrophobicContact CG2-CG 4.3Å; V699-F727 HydrophobicContact CG2-CZ 3.96Å; F723-F727 WeakPolarHBondContact O-CB 3.43Å; F723-F727 PolarHBondContact O-N 3.4Å; L724-F727 PolarHBondContact O-N 3Å; Y725-F727 VanDerWaalsContact C-N 3.33Å; Y725-F727 PolarHBondContact O-N 2.92Å; F727-K729 PolarHBondContact O-N 3.18Å; F727-M730 WeakPolarHBondContact O-CB 3.24Å; F727-M730 WeakPolarHBondContact O-CG 3.35Å; F727-M730 PolarHBondContact O-N 3.09Å; F727-M730 VanDerWaalsContact O-N 3.09Å; F727-E734 HydrophobicContact CD1-CB 4.12Å; F727-E734 HydrophobicContact CD1-CG 4.49Å; F727-E734 HydrophobicContact CD2-CG 4.03Å; F727-E734 HydrophobicContact CE1-CB 3.77Å; F727-E734 HydrophobicContact CE1-CG 4.08Å; F727-E734 HydrophobicContact CE2-CB 4.19Å; F727-E734 HydrophobicContact CE2-CG 3.57Å; F727-E734 HydrophobicContact CG-CB 4.48Å; F727-E734 HydrophobicContact CG-CG 4.47Å; F727-E734 HydrophobicContact CZ-CB 3.81Å; F727-E734 HydrophobicContact CZ-CG 3.6Å; F727-E734 VanDerWaalsContact O-CB 3.25Å; F727-E734 WeakPolarHBondContact O-CB 3.39Å; F727-E734 WeakPolarHBondContact O-CG 3.25Å; F727-F737 HydrophobicContact CE1-CD1 4.24Å; F727-F737 HydrophobicContact CZ-CD1 4.47Å; F727-L738 HydrophobicContact CD1-CD1 3.98Å; F727-L738 HydrophobicContact CD1-CD2 4.4Å; F727-L738 HydrophobicContact CD1-CG 4.14Å; F727-L738 HydrophobicContact CE1-CD1 4.45Å; F727-L738 HydrophobicContact CE1-CD2 4.45Å; F727-L738 HydrophobicContact CE1-CG 4.14Å
728	A	95.1	Very high	93.1	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-33.1	177.8	0	0	0	0	0	112.9	L724 Y725 M730 S735 L738 L798 L801 L802	L724-A728 WeakPolarHBondContact O-CB 3.5Å; L724-A728 PolarHBondContact O-N 3.33Å; Y725-A728 PolarHBondContact O-N 3.29Å; A728-M730 VanDerWaalsContact C-N 3.28Å; A728-M730 PolarHBondContact O-N 3.01Å; A728-S735 PolarHBondContact O-OG 2.93Å; A728-L738 HydrophobicContact CB-CD1 3.72Å; A728-L798 HydrophobicContact CB-CD1 3.67Å; A728-L801 HydrophobicContact CB-CD2 3.8Å; A728-L802 HydrophobicContact CB-CD2 4.15Å
729	K	94.6	Very high	93.1	Very high	127 Å²	127	29.1 Å²	29.1	55%	0.552	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.3	-179.2	-168.7	178.3	172.6	-171.3	0	113.8	Y725 E726 F727 G731 L801	Y725-K729 HydrophobicContact CE1-CD 4.36Å; Y725-K729 WeakPolarHBondContact O-CB 3.46Å; Y725-K729 PolarHBondContact O-N 2.9Å; Y725-K729 VanDerWaalsContact O-N 3.1Å; E726-K729 PolarHBondContact O-N 2.77Å; F727-K729 PolarHBondContact O-N 3.18Å; K729-G731 PolarHBondContact O-N 3.42Å; K729-L801 HydrophobicContact CB-CD2 4.29Å
730	M	93.2	Very high	92.9	Very high	37 Å²	37	30.5 Å²	30.5	18%	0.182	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.7	-176.8	-64	-164.9	-175.3	0	0	113.6	I656 I659 Q660 E726 F727 A728 E734	I656-M730 HydrophobicContact CB-CE 4.3Å; I656-M730 HydrophobicContact CD1-CE 3.6Å; I656-M730 HydrophobicContact CG1-CE 4.49Å; I656-M730 HydrophobicContact CG2-CE 3.63Å; I659-M730 HydrophobicContact CB-CE 4.46Å; I659-M730 HydrophobicContact CG2-CE 4.16Å; I659-M730 HydrophobicContact CG2-SD 3.84Å; Q660-M730 HydrophobicContact CG-CE 3.79Å; Q660-M730 HydrophobicContact CG-SD 3.92Å; E726-M730 VanDerWaalsContact O-CG 3.26Å; E726-M730 WeakPolarHBondContact O-CG 3.36Å; E726-M730 PolarHBondContact O-N 3.35Å; F727-M730 WeakPolarHBondContact O-CB 3.24Å; F727-M730 WeakPolarHBondContact O-CG 3.35Å; F727-M730 PolarHBondContact O-N 3.09Å; F727-M730 VanDerWaalsContact O-N 3.09Å; A728-M730 VanDerWaalsContact C-N 3.28Å; A728-M730 PolarHBondContact O-N 3.01Å; M730-E734 HydrophobicContact CB-CG 4.05Å
731	G	89.4	Confident	92.7	Very high	22 Å²	22	32.1 Å²	32.1	23%	0.227	16%	0.162	C	C	.	.			trans	175.9	-179.8	-174.7	0	0	0	0	0	113.5	K729 E734	K729-G731 PolarHBondContact O-N 3.42Å; G731-E734 VanDerWaalsContact C-OE2 3.22Å; G731-E734 WeakPolarHBondContact CA-OE2 3.29Å; G731-E734 PolarHBondContact N-OE2 3.04Å
732	E	89.6	Confident	92.6	Very high	111 Å²	111	38.2 Å²	38.2	52%	0.519	19%	0.191	S	C	.	.	H	α-helix	trans	-72	-39.5	-178.6	-171.4	174	179.9	0	0	111.1	E734 S735 Q736	E732-E734 VanDerWaalsContact C-N 3.33Å; E732-E734 PolarHBondContact O-N 3.5Å; E732-S735 PolarHBondContact O-N 2.86Å; E732-Q736 HydrophobicContact CG-CG 4.39Å; E732-Q736 WeakPolarHBondContact O-CB 3.25Å; E732-Q736 WeakPolarHBondContact O-CG 3.49Å; E732-Q736 PolarHBondContact O-N 3.26Å
733	E	90.9	Very high	92.4	Very high	72 Å²	72	37.6 Å²	37.6	34%	0.336	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-39	-179.5	-59.9	89.9	159.7	0	0	112.4	R663 Y670 F737	R663-E733 IonicContact NH2-OE2 2.68Å; R663-E733 PolarHBondContact NH2-OE2 3.49Å; R663-E733 VanDerWaalsContact NH2-OE2 3.07Å; Y670-E733 HydrophobicContact CD2-CB 4.19Å; E733-F737 WeakPolarHBondContact O-CB 3.34Å; E733-F737 PolarHBondContact O-N 2.99Å
734	E	93.9	Very high	92	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-43.2	176.8	-67.4	82.2	177.6	0	0	112.1	R663 Y670 F727 M730 G731 E732 F737 L738	R663-E734 WeakPolarHBondContact CD-OE1 3.48Å; R663-E734 IonicContact CZ-OE1 3.89Å; R663-E734 IonicContact NE-OE1 3.21Å; R663-E734 PolarHBondContact NE-OE1 2.95Å; R663-E734 IonicContact NE-OE2 2.9Å; R663-E734 IonicContact NH2-OE1 3.07Å; R663-E734 IonicContact NH2-OE2 2.85Å; Y670-E734 HydrophobicContact CD2-CG 4.41Å; Y670-E734 HydrophobicContact CE2-CG 3.84Å; F727-E734 HydrophobicContact CD1-CB 4.12Å; F727-E734 HydrophobicContact CD1-CG 4.49Å; F727-E734 HydrophobicContact CD2-CG 4.03Å; F727-E734 HydrophobicContact CE1-CB 3.77Å; F727-E734 HydrophobicContact CE1-CG 4.08Å; F727-E734 HydrophobicContact CE2-CB 4.19Å; F727-E734 HydrophobicContact CE2-CG 3.57Å; F727-E734 HydrophobicContact CG-CB 4.48Å; F727-E734 HydrophobicContact CG-CG 4.47Å; F727-E734 HydrophobicContact CZ-CB 3.81Å; F727-E734 HydrophobicContact CZ-CG 3.6Å; F727-E734 VanDerWaalsContact O-CB 3.25Å; F727-E734 WeakPolarHBondContact O-CB 3.39Å; F727-E734 WeakPolarHBondContact O-CG 3.25Å; M730-E734 HydrophobicContact CB-CG 4.05Å; G731-E734 VanDerWaalsContact C-OE2 3.22Å; G731-E734 WeakPolarHBondContact CA-OE2 3.29Å; G731-E734 PolarHBondContact N-OE2 3.04Å; E732-E734 VanDerWaalsContact C-N 3.33Å; E732-E734 PolarHBondContact O-N 3.5Å; E734-F737 PolarHBondContact O-N 3.45Å; E734-L738 WeakPolarHBondContact O-CG 3.44Å; E734-L738 PolarHBondContact O-N 3.46Å; E734-L738 VanDerWaalsContact O-N 3.12Å
735	S	93.1	Very high	91.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-44.5	177.6	-73.5	0	0	0	0	111.6	A728 E732 F737 L738 L739	A728-S735 PolarHBondContact O-OG 2.93Å; E732-S735 PolarHBondContact O-N 2.86Å; S735-F737 VanDerWaalsContact C-N 3.33Å; S735-F737 PolarHBondContact O-N 2.92Å; S735-L738 PolarHBondContact O-N 3.46Å; S735-L739 VanDerWaalsContact O-CG 3.31Å; S735-L739 WeakPolarHBondContact O-CG 3.34Å; S735-L739 PolarHBondContact O-N 3.31Å
736	Q	90.4	Very high	91.2	Very high	46 Å²	46	40.1 Å²	40.1	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-41.6	175.5	-78.8	178.1	-20.8	0	0	111.8	L671 E732 L739 S740 E809	L671-Q736 HydrophobicContact CD1-CB 4.27Å; L671-Q736 HydrophobicContact CD2-CB 4.29Å; E732-Q736 HydrophobicContact CG-CG 4.39Å; E732-Q736 WeakPolarHBondContact O-CB 3.25Å; E732-Q736 WeakPolarHBondContact O-CG 3.49Å; E732-Q736 PolarHBondContact O-N 3.26Å; Q736-L739 PolarHBondContact O-N 2.95Å; Q736-S740 PolarHBondContact O-N 3.39Å; Q736-E809 PolarHBondContact NE2-OE1 3.46Å
737	F	92.8	Very high	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-48.6	175.6	177.4	-108.5	0	0	0	111.9	Y670 L671 I689 T696 V699 F727 E733 E734 S735 L739 S740 L741	Y670-F737 WeakPolarHBondContact O-CD2 3.16Å; L671-F737 HydrophobicContact CD2-CB 4.33Å; I689-F737 HydrophobicContact CG2-CD2 4.49Å; I689-F737 WeakPolarHBondContact O-CE2 3.48Å; T696-F737 HydrophobicContact CG2-CD1 3.75Å; T696-F737 HydrophobicContact CG2-CD2 3.69Å; T696-F737 HydrophobicContact CG2-CE1 3.57Å; T696-F737 HydrophobicContact CG2-CE2 3.51Å; T696-F737 HydrophobicContact CG2-CG 3.8Å; T696-F737 HydrophobicContact CG2-CZ 3.44Å; T696-F737 VanDerWaalsContact CG2-CZ 3.44Å; T696-F737 WeakPolarHBondContact O-CZ 3.3Å; V699-F737 HydrophobicContact CB-CE1 4.09Å; V699-F737 HydrophobicContact CG1-CD1 4.41Å; V699-F737 HydrophobicContact CG1-CE1 3.96Å; F727-F737 HydrophobicContact CE1-CD1 4.24Å; F727-F737 HydrophobicContact CZ-CD1 4.47Å; E733-F737 WeakPolarHBondContact O-CB 3.34Å; E733-F737 PolarHBondContact O-N 2.99Å; E734-F737 PolarHBondContact O-N 3.45Å; S735-F737 VanDerWaalsContact C-N 3.33Å; S735-F737 PolarHBondContact O-N 2.92Å; F737-L739 VanDerWaalsContact C-N 3.28Å; F737-L739 PolarHBondContact O-N 3.33Å; F737-S740 PolarHBondContact O-N 2.88Å; F737-S740 VanDerWaalsContact O-N 3.15Å; F737-S740 PolarHBondContact O-OG 3.13Å; F737-L741 HydrophobicContact CD1-CD1 4.35Å; F737-L741 HydrophobicContact CE1-CD1 3.59Å; F737-L741 HydrophobicContact CE1-CG 4.43Å; F737-L741 HydrophobicContact CE2-CD1 4.08Å; F737-L741 HydrophobicContact CE2-CG 4.24Å; F737-L741 HydrophobicContact CZ-CD1 3.44Å; F737-L741 VanDerWaalsContact CZ-CD1 3.44Å; F737-L741 HydrophobicContact CZ-CG 4.1Å; F737-L741 PolarHBondContact O-N 3.09Å; F737-L741 VanDerWaalsContact O-N 3.15Å
738	L	92.2	Very high	90.3	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-61.1	-36.7	176.6	-72.5	176.7	0	0	0	112.8	V699 L703 F727 A728 E734 S735 L741 Q742 A743 L798 L802	V699-L738 HydrophobicContact CG1-CD2 3.69Å; L703-L738 HydrophobicContact CD1-CD2 4.05Å; F727-L738 HydrophobicContact CD1-CD1 3.98Å; F727-L738 HydrophobicContact CD1-CD2 4.4Å; F727-L738 HydrophobicContact CD1-CG 4.14Å; F727-L738 HydrophobicContact CE1-CD1 4.45Å; F727-L738 HydrophobicContact CE1-CD2 4.45Å; F727-L738 HydrophobicContact CE1-CG 4.14Å; A728-L738 HydrophobicContact CB-CD1 3.72Å; E734-L738 WeakPolarHBondContact O-CG 3.44Å; E734-L738 PolarHBondContact O-N 3.46Å; E734-L738 VanDerWaalsContact O-N 3.12Å; S735-L738 PolarHBondContact O-N 3.46Å; L738-L741 PolarHBondContact O-N 3.38Å; L738-Q742 PolarHBondContact O-N 3.5Å; L738-A743 HydrophobicContact CB-CB 4.16Å; L738-A743 HydrophobicContact CD2-CB 4.33Å; L738-A743 WeakPolarHBondContact O-CB 3.48Å; L738-A743 PolarHBondContact O-N 3.32Å; L738-L798 HydrophobicContact CD1-CD1 4.37Å; L738-L802 HydrophobicContact CB-CD1 4.28Å; L738-L802 HydrophobicContact CB-CD2 4.02Å; L738-L802 HydrophobicContact CD1-CD1 4.38Å; L738-L802 HydrophobicContact CD1-CD2 4.07Å
739	L	91	Very high	89.7	Confident	45 Å²	45	43 Å²	43	24%	0.236	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-41.4	174.6	-71.9	171.3	0	0	0	111.8	S735 Q736 F737 L741 Q742 I744 L802	S735-L739 VanDerWaalsContact O-CG 3.31Å; S735-L739 WeakPolarHBondContact O-CG 3.34Å; S735-L739 PolarHBondContact O-N 3.31Å; Q736-L739 PolarHBondContact O-N 2.95Å; F737-L739 VanDerWaalsContact C-N 3.28Å; F737-L739 PolarHBondContact O-N 3.33Å; L739-L741 PolarHBondContact O-N 3.18Å; L739-Q742 PolarHBondContact O-N 3.17Å; L739-I744 HydrophobicContact CD2-CD1 3.7Å; L739-I744 HydrophobicContact CD2-CG1 4.42Å; L739-L802 HydrophobicContact CD2-CB 4.12Å; L739-L802 HydrophobicContact CG-CD2 4.48Å
740	S	88.9	Confident	89.1	Confident	36 Å²	36	38.6 Å²	38.6	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-29.8	176	70.7	0	0	0	0	113	Q736 F737 Q742	Q736-S740 PolarHBondContact O-N 3.39Å; F737-S740 PolarHBondContact O-N 2.88Å; F737-S740 VanDerWaalsContact O-N 3.15Å; F737-S740 PolarHBondContact O-OG 3.13Å; S740-Q742 VanDerWaalsContact C-N 3.26Å; S740-Q742 PolarHBondContact O-N 2.88Å
741	L	88.1	Confident	88.3	Confident	34 Å²	34	43.7 Å²	43.7	18%	0.178	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.2	174.8	-64.3	-174.1	0	0	0	113.8	R700 L703 F737 L738 L739 A743	R700-L741 HydrophobicContact CB-CD1 4.2Å; R700-L741 HydrophobicContact CG-CD1 4.32Å; L703-L741 HydrophobicContact CD1-CB 4.11Å; L703-L741 HydrophobicContact CD1-CD1 3.8Å; F737-L741 HydrophobicContact CD1-CD1 4.35Å; F737-L741 HydrophobicContact CE1-CD1 3.59Å; F737-L741 HydrophobicContact CE1-CG 4.43Å; F737-L741 HydrophobicContact CE2-CD1 4.08Å; F737-L741 HydrophobicContact CE2-CG 4.24Å; F737-L741 HydrophobicContact CZ-CD1 3.44Å; F737-L741 VanDerWaalsContact CZ-CD1 3.44Å; F737-L741 HydrophobicContact CZ-CG 4.1Å; F737-L741 PolarHBondContact O-N 3.09Å; F737-L741 VanDerWaalsContact O-N 3.15Å; L738-L741 PolarHBondContact O-N 3.38Å; L739-L741 PolarHBondContact O-N 3.18Å; L741-A743 PolarHBondContact O-N 2.86Å
742	Q	89.3	Confident	87.7	Confident	133 Å²	133	48.8 Å²	48.8	62%	0.621	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	31	-177.7	-53	-176.6	-5.6	0	0	113.9	L738 L739 S740 I744 S745 T746	L738-Q742 PolarHBondContact O-N 3.5Å; L739-Q742 PolarHBondContact O-N 3.17Å; S740-Q742 VanDerWaalsContact C-N 3.26Å; S740-Q742 PolarHBondContact O-N 2.88Å; Q742-I744 PolarHBondContact O-N 3.13Å; Q742-S745 WeakPolarHBondContact O-CA 3.22Å; Q742-S745 VanDerWaalsContact O-CB 3.26Å; Q742-S745 WeakPolarHBondContact O-CB 3.35Å; Q742-S745 PolarHBondContact O-N 2.58Å; Q742-T746 PolarHBondContact O-N 2.85Å; Q742-T746 VanDerWaalsContact O-N 3.15Å; Q742-T746 PolarHBondContact O-OG1 3.26Å
743	A	88.8	Confident	86.6	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-54.5	-34.2	-172.5	0	0	0	0	0	114	L703 L738 L741 T746 M747 L802	L703-A743 HydrophobicContact CD1-CB 4.11Å; L703-A743 HydrophobicContact CD2-CB 4.17Å; L738-A743 HydrophobicContact CB-CB 4.16Å; L738-A743 HydrophobicContact CD2-CB 4.33Å; L738-A743 WeakPolarHBondContact O-CB 3.48Å; L738-A743 PolarHBondContact O-N 3.32Å; L741-A743 PolarHBondContact O-N 2.86Å; A743-T746 PolarHBondContact O-N 3.1Å; A743-M747 HydrophobicContact CB-CE 4.29Å; A743-M747 VanDerWaalsContact O-CE 3.24Å; A743-M747 WeakPolarHBondContact O-CE 3.33Å; A743-M747 WeakPolarHBondContact O-CG 3.34Å; A743-M747 PolarHBondContact O-N 2.9Å; A743-L802 HydrophobicContact CB-CD1 4.42Å
744	I	89.3	Confident	85.1	Confident	42 Å²	42	45.8 Å²	45.8	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-48.2	173.9	-61.6	171.9	0	0	0	110.6	L739 Q742 M747 V748 V799 L802 V803	L739-I744 HydrophobicContact CD2-CD1 3.7Å; L739-I744 HydrophobicContact CD2-CG1 4.42Å; Q742-I744 PolarHBondContact O-N 3.13Å; I744-M747 PolarHBondContact O-N 3.44Å; I744-V748 HydrophobicContact CG2-CG2 4.48Å; I744-V748 VanDerWaalsContact O-CG2 3.28Å; I744-V748 WeakPolarHBondContact O-CG2 3.44Å; I744-V748 PolarHBondContact O-N 3.43Å; I744-V799 HydrophobicContact CG2-CG1 4.22Å; I744-L802 HydrophobicContact CD1-CB 3.81Å; I744-L802 HydrophobicContact CG1-CB 3.9Å; I744-L802 HydrophobicContact CG1-CD1 4.05Å; I744-V803 HydrophobicContact CD1-CG2 3.94Å
745	S	87.3	Confident	82.9	Confident	46 Å²	46	51.5 Å²	51.5	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-48.3	179.3	-167.4	0	0	0	0	110.4	Q742 M747 V748 H749	Q742-S745 WeakPolarHBondContact O-CA 3.22Å; Q742-S745 VanDerWaalsContact O-CB 3.26Å; Q742-S745 WeakPolarHBondContact O-CB 3.35Å; Q742-S745 PolarHBondContact O-N 2.58Å; S745-M747 PolarHBondContact O-N 3.27Å; S745-V748 PolarHBondContact O-N 3.35Å; S745-H749 WeakPolarHBondContact O-CB 3.23Å; S745-H749 PolarHBondContact O-CD2 2.6Å; S745-H749 PolarHBondContact O-N 3.19Å; S745-H749 PolarHBondContact OG-CD2 3.24Å; S745-H749 VanDerWaalsContact OG-CD2 3.25Å; S745-H749 PolarHBondContact OG-NE2 2.8Å
746	T	86.4	Confident	80.7	Confident	16 Å²	16	53.5 Å²	53.5	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-46	179.4	-42.9	0	0	0	0	112	M706 E707 Q742 A743 H749 F750	M706-T746 HydrophobicContact CE-CG2 3.42Å; M706-T746 VanDerWaalsContact CE-CG2 3.42Å; E707-T746 HydrophobicContact CG-CG2 3.52Å; Q742-T746 PolarHBondContact O-N 2.85Å; Q742-T746 VanDerWaalsContact O-N 3.15Å; Q742-T746 PolarHBondContact O-OG1 3.26Å; A743-T746 PolarHBondContact O-N 3.1Å; T746-H749 PolarHBondContact O-N 3.33Å; T746-F750 WeakPolarHBondContact O-CB 3.48Å; T746-F750 PolarHBondContact O-N 2.99Å
747	M	87.4	Confident	78.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-40.5	178.1	-71.4	-176.8	-78.2	0	0	112.8	M706 F721 A743 I744 S745 F750 Y751 M795 L798 V799 L802	M706-M747 HydrophobicContact CE-CB 4.39Å; M706-M747 HydrophobicContact CE-CG 3.63Å; M706-M747 HydrophobicContact SD-CG 3.94Å; F721-M747 HydrophobicContact CD1-SD 4.42Å; F721-M747 HydrophobicContact CE1-CG 4.24Å; F721-M747 HydrophobicContact CE1-SD 4.21Å; A743-M747 HydrophobicContact CB-CE 4.29Å; A743-M747 VanDerWaalsContact O-CE 3.24Å; A743-M747 WeakPolarHBondContact O-CE 3.33Å; A743-M747 WeakPolarHBondContact O-CG 3.34Å; A743-M747 PolarHBondContact O-N 2.9Å; I744-M747 PolarHBondContact O-N 3.44Å; S745-M747 PolarHBondContact O-N 3.27Å; M747-F750 PolarHBondContact O-N 3.05Å; M747-Y751 PolarHBondContact O-N 2.86Å; M747-M795 HydrophobicContact CB-CG 4.34Å; M747-M795 HydrophobicContact CB-SD 4.34Å; M747-M795 HydrophobicContact SD-CG 4.05Å; M747-L798 HydrophobicContact CE-CD2 3.88Å; M747-L798 HydrophobicContact CE-CG 3.97Å; M747-L798 HydrophobicContact SD-CD2 3.5Å; M747-L798 VanDerWaalsContact SD-CD2 3.5Å; M747-L798 HydrophobicContact SD-CG 4.09Å; M747-V799 HydrophobicContact CB-CG2 4.5Å; M747-V799 HydrophobicContact CE-CG2 3.75Å; M747-V799 HydrophobicContact SD-CG2 4.14Å; M747-L802 HydrophobicContact CE-CD1 4.04Å
748	V	84.3	Confident	75.7	Confident	63 Å²	63	66 Å²	66	38%	0.382	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-44	176.8	171.4	0	0	0	0	110.6	I744 S745 F750 Y751 M752	I744-V748 HydrophobicContact CG2-CG2 4.48Å; I744-V748 VanDerWaalsContact O-CG2 3.28Å; I744-V748 WeakPolarHBondContact O-CG2 3.44Å; I744-V748 PolarHBondContact O-N 3.43Å; S745-V748 PolarHBondContact O-N 3.35Å; V748-F750 PolarHBondContact O-N 2.9Å; V748-Y751 PolarHBondContact O-N 2.98Å; V748-M752 HydrophobicContact CG1-CG 4.18Å; V748-M752 HydrophobicContact CG1-SD 3.71Å; V748-M752 WeakPolarHBondContact O-CB 3.1Å; V748-M752 VanDerWaalsContact O-CG 3.29Å; V748-M752 WeakPolarHBondContact O-CG 3.32Å; V748-M752 PolarHBondContact O-N 3.37Å
749	H	82.4	Confident	72.7	Confident	65 Å²	65	71.5 Å²	71.5	30%	0.301	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-41.9	175.8	-78.2	-59.6	0	0	0	112.6	S745 T746 M752 G753 T754	S745-H749 WeakPolarHBondContact O-CB 3.23Å; S745-H749 PolarHBondContact O-CD2 2.6Å; S745-H749 PolarHBondContact O-N 3.19Å; S745-H749 PolarHBondContact OG-CD2 3.24Å; S745-H749 VanDerWaalsContact OG-CD2 3.25Å; S745-H749 PolarHBondContact OG-NE2 2.8Å; T746-H749 PolarHBondContact O-N 3.33Å; H749-M752 PolarHBondContact O-N 3.46Å; H749-G753 PolarHBondContact O-N 3.46Å; H749-T754 PolarHBondContact ND1-OG1 3.01Å; H749-T754 PolarHBondContact O-N 3.07Å
750	F	82.3	Confident	70	Confident	35 Å²	35	75.6 Å²	75.6	15%	0.154	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-50.5	173.9	169.2	-101.7	0	0	0	111.1	M706 V710 K711 L717 F721 T746 M747 V748 G753	M706-F750 HydrophobicContact CG-CB 4.11Å; M706-F750 HydrophobicContact CG-CD1 4.36Å; M706-F750 HydrophobicContact CG-CD2 3.89Å; M706-F750 HydrophobicContact CG-CE2 4.46Å; M706-F750 HydrophobicContact CG-CG 3.85Å; M706-F750 WeakPolarHBondContact O-CD2 3.45Å; M706-F750 HydrophobicContact SD-CB 4.47Å; M706-F750 HydrophobicContact SD-CG 4.42Å; V710-F750 HydrophobicContact CB-CE2 3.83Å; V710-F750 HydrophobicContact CB-CZ 4.27Å; V710-F750 HydrophobicContact CG1-CE2 3.87Å; V710-F750 HydrophobicContact CG1-CZ 3.79Å; K711-F750 HydrophobicContact CG-CE2 4.18Å; L717-F750 HydrophobicContact CD1-CE1 4.05Å; L717-F750 HydrophobicContact CD1-CZ 3.71Å; F721-F750 HydrophobicContact CE2-CE1 4.48Å; F721-F750 HydrophobicContact CZ-CD1 4.27Å; F721-F750 HydrophobicContact CZ-CE1 4.08Å; T746-F750 WeakPolarHBondContact O-CB 3.48Å; T746-F750 PolarHBondContact O-N 2.99Å; M747-F750 PolarHBondContact O-N 3.05Å; V748-F750 PolarHBondContact O-N 2.9Å; F750-G753 PolarHBondContact O-N 3.35Å
751	Y	76.8	Confident	67.1	Low	145 Å²	145	81.8 Å²	81.8	57%	0.569	44%	0.441	S	S	*	.	H	α-helix	trans	-69.7	-36.1	-178.7	-169	-97.2	0	0	0	113.3	M747 V748 G753 L792 M795	M747-Y751 PolarHBondContact O-N 2.86Å; V748-Y751 PolarHBondContact O-N 2.98Å; Y751-G753 VanDerWaalsContact C-N 3.32Å; Y751-L792 HydrophobicContact CD2-CD1 3.91Å; Y751-L792 HydrophobicContact CE2-CD1 3.4Å; Y751-L792 HydrophobicContact CE2-CD2 4.07Å; Y751-L792 HydrophobicContact CE2-CG 4.29Å; Y751-L792 WeakPolarHBondContact OH-CD2 3.22Å; Y751-M795 HydrophobicContact CD2-CE 3.83Å; Y751-M795 HydrophobicContact CG-CE 3.91Å
752	M	76.3	Confident	64.3	Low	129 Å²	129	86.8 Å²	86.8	64%	0.635	47%	0.473	S	S	*	.	H	α-helix	trans	-79.9	-11.2	178.1	-68.6	-172.2	71.7	0	0	113.7	V748 H749 T754	V748-M752 HydrophobicContact CG1-CG 4.18Å; V748-M752 HydrophobicContact CG1-SD 3.71Å; V748-M752 WeakPolarHBondContact O-CB 3.1Å; V748-M752 VanDerWaalsContact O-CG 3.29Å; V748-M752 WeakPolarHBondContact O-CG 3.32Å; V748-M752 PolarHBondContact O-N 3.37Å; H749-M752 PolarHBondContact O-N 3.46Å; M752-T754 VanDerWaalsContact C-N 3.26Å; M752-T754 HydrophobicContact CB-CG2 4.05Å; M752-T754 PolarHBondContact O-N 3.48Å
753	G	67.6	Low	61.3	Low	35 Å²	35	88.7 Å²	88.7	36%	0.361	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	15.9	-179.8	0	0	0	0	0	115.2	H749 F750 Y751	H749-G753 PolarHBondContact O-N 3.46Å; F750-G753 PolarHBondContact O-N 3.35Å; Y751-G753 VanDerWaalsContact C-N 3.32Å
754	T	57.6	Low	58.8	Low	85 Å²	85	93.5 Å²	93.5	52%	0.521	51%	0.51	S	S	.	.			trans	-84.7	-11.3	-168.5	45	0	0	0	0	115.3	H749 M752	H749-T754 PolarHBondContact ND1-OG1 3.01Å; H749-T754 PolarHBondContact O-N 3.07Å; M752-T754 VanDerWaalsContact C-N 3.26Å; M752-T754 HydrophobicContact CB-CG2 4.05Å; M752-T754 PolarHBondContact O-N 3.48Å
755	K	48.4	Very low	55.8	Low	119 Å²	119	99.2 Å²	99.2	52%	0.517	54%	0.541	S	S	.	.			trans	-107.4	104.1	160.8	-73.1	-172.9	-178.6	-177.6	0	108.1	E707	E707-K755 IonicContact OE1-NZ 2.83Å; E707-K755 PolarHBondContact OE1-NZ 2.87Å
756	G	47	Very low	53.1	Low	46 Å²	46	101.5 Å²	101.5	47%	0.474	56%	0.557	S	S	.	*			trans	-103.8	157.3	159.9	0	0	0	0	0	108.6	E758	G756-E758 PolarHBondContact O-N 3.32Å; G756-E758 VanDerWaalsContact O-N 3.16Å
757	P	40.3	Very low	50.5	Low	112 Å²	112	108.6 Å²	108.6	73%	0.727	59%	0.589	S	S	*	*			trans	-65	117.6	-177.4	25	-31.2	0	0	0	110.9	N759	P757-N759 PolarHBondContact O-N 2.98Å
758	E	37.2	Very low	48.1	Very low	195 Å²	195	116.2 Å²	116.2	91%	0.911	62%	0.624	S	S	*	*	S	Bend	trans	-76.4	63.5	158.1	-70.3	-168.2	162.2	0	0	109	G756	G756-E758 PolarHBondContact O-N 3.32Å; G756-E758 VanDerWaalsContact O-N 3.16Å
759	N	29.7	Very low	45.9	Very low	118 Å²	118	120.5 Å²	120.5	63%	0.631	64%	0.64	S	S	*	*			trans	-170.7	114.4	159.5	-115.4	-14.3	0	0	0	111.3	P757 Q761	P757-N759 PolarHBondContact O-N 2.98Å; N759-Q761 PolarHBondContact O-N 3.23Å
760	P	34	Very low	43.5	Very low	132 Å²	132	121 Å²	121	86%	0.857	66%	0.662	S	S	*	*	S	Bend	trans	-81.5	17.4	173.9	-4.5	22.4	0	0	0	114
761	Q	28.8	Very low	41.2	Very low	165 Å²	165	126.1 Å²	126.1	77%	0.771	69%	0.687	S	S	*	*			trans	-134.9	72.2	-174	-69.8	-172.1	-12.1	0	0	111.4	N759	N759-Q761 PolarHBondContact O-N 3.23Å
762	V	29.6	Very low	39.3	Very low	139 Å²	139	125.2 Å²	125.2	84%	0.842	69%	0.688	S	S	*	*	S	Bend	trans	-131.5	110.7	142.1	-179.4	0	0	0	0	105.2	V764	V762-V764 PolarHBondContact O-N 3.12Å
763	E	27	Very low	37.5	Very low	174 Å²	174	127.9 Å²	127.9	81%	0.813	70%	0.699	S	S	*	*			trans	-53.8	129.1	-175	-72.4	167.4	137.5	0	0	111.9	L765	E763-L765 PolarHBondContact O-N 3.33Å
764	V	35.9	Very low	35.9	Very low	101 Å²	101	133.5 Å²	133.5	61%	0.612	72%	0.716	S	S	*	*			trans	-9.4	105.5	133.3	-177.1	0	0	0	0	112	V762 E767	V762-V764 PolarHBondContact O-N 3.12Å; V764-E767 HydrophobicContact CG1-CB 4.39Å; V764-E767 HydrophobicContact CG1-CG 4.19Å
765	L	26.5	Very low	34.8	Very low	163 Å²	163	139.1 Å²	139.1	85%	0.853	74%	0.736	S	S	*	*	S	Bend	trans	-109.7	111.4	154.1	-73.2	174	0	0	0	106.9	E763	E763-L765 PolarHBondContact O-N 3.33Å
766	S	30.2	Very low	34.2	Very low	94 Å²	94	142.4 Å²	142.4	66%	0.657	75%	0.753	S	S	*	*			trans	56.6	75.9	174.5	66.9	0	0	0	0	116.7	E768	S766-E768 PolarHBondContact O-N 3.29Å; S766-E768 VanDerWaalsContact O-N 3.12Å
767	E	32.4	Very low	33.7	Very low	165 Å²	165	149.2 Å²	149.2	77%	0.771	77%	0.773	S	S	*	*			trans	-72	61.7	138.4	-73.7	179	175.5	0	0	109.2	V764	V764-E767 HydrophobicContact CG1-CB 4.39Å; V764-E767 HydrophobicContact CG1-CG 4.19Å
768	E	35.5	Very low	33.1	Very low	161 Å²	161	150.5 Å²	150.5	75%	0.752	77%	0.773	S	S	*	*	S	Bend	trans	-133.1	116.4	161.1	-70.1	-167.5	157.7	0	0	105.1	S766	S766-E768 PolarHBondContact O-N 3.29Å; S766-E768 VanDerWaalsContact O-N 3.12Å
769	E	38.3	Very low	33	Very low	153 Å²	153	149.6 Å²	149.6	72%	0.715	77%	0.773	S	S	*	*	S	Bend	trans	91.9	22.3	175	-47.9	-162.5	179.1	0	0	120.4	K156	K156-E769 WeakPolarHBondContact CE-OE2 3.4Å; K156-E769 IonicContact NZ-OE2 3.93Å; K156-E769 PolarHBondContact NZ-OE2 3.4Å
770	G	33.2	Very low	33	Very low	74 Å²	74	150.8 Å²	150.8	76%	0.763	78%	0.779	S	S	*	*			trans	-115.6	-1.9	175.2	0	0	0	0	0	117.4
771	E	32.3	Very low	33.4	Very low	143 Å²	143	150 Å²	150	67%	0.668	78%	0.776	S	S	*	*			trans	-102.8	54.4	177.9	-67.6	-177.2	166.4	0	0	111.1	R236	R236-E771 IonicContact CZ-OE2 2.86Å; R236-E771 IonicContact NH1-OE2 2.8Å; R236-E771 IonicContact NH2-OE2 3.64Å; R236-E771 PolarHBondContact NH2-OE2 3.38Å
772	E	37.4	Very low	33.4	Very low	126 Å²	126	149.6 Å²	149.6	59%	0.589	78%	0.779	S	S	*	*	S	Bend	trans	-140.6	78.2	165.1	-75.2	-177.1	-174.9	0	0	106
773	E	38.4	Very low	33.4	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	78%	0.776	S	S	*	*	S	Bend	trans	167.5	131.2	146.6	-90.7	170.3	-164.3	0	0	109.8
774	E	35	Very low	33.7	Very low	154 Å²	154	148.4 Å²	148.4	72%	0.72	78%	0.78	S	S	*	*	S	Bend	trans	91.7	33.9	178	-55.5	-164.6	-175.2	0	0	119.8	K715	K715-E774 IonicContact NZ-OE2 3.71Å; K715-E774 PolarHBondContact NZ-OE2 3.48Å
775	E	33.6	Very low	33.7	Very low	202 Å²	202	151.9 Å²	151.9	94%	0.944	79%	0.789	S	S	*	*	S	Bend	trans	-110.9	5.5	154.6	-81.6	-161.8	170.6	0	0	114.9
776	E	37.1	Very low	34.2	Very low	188 Å²	188	153.5 Å²	153.5	88%	0.879	79%	0.79	S	S	*	*	S	Bend	trans	-122.7	80.5	172.4	-74.2	-170.7	160.9	0	0	111.1
777	E	34.9	Very low	34.6	Very low	189 Å²	189	159.5 Å²	159.5	88%	0.883	80%	0.799	S	S	*	*	S	Bend	trans	171	142.6	136.2	-93.2	-179.9	176.3	0	0	108.9
778	D	29.3	Very low	35.8	Very low	139 Å²	139	160.6 Å²	160.6	74%	0.743	80%	0.796	S	S	*	*			trans	80.9	56.1	179.9	-63.8	-19	0	0	0	119.2
779	I	33.6	Very low	37.5	Very low	176 Å²	176	156 Å²	156	90%	0.903	78%	0.78	S	S	*	*			trans	-104.6	63.7	142.1	-50.3	179.7	0	0	0	109.2
780	L	31.1	Very low	39.5	Very low	144 Å²	144	151 Å²	151	75%	0.754	77%	0.766	S	S	*	*	S	Bend	trans	-139	95	156.5	-85.1	174.9	0	0	0	108.8	L782	L780-L782 PolarHBondContact O-N 3.07Å
781	S	41	Very low	42	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	73%	0.732	S	S	*	*			trans	24.5	91.7	151.7	63.7	0	0	0	0	116.5
782	L	28.5	Very low	44.5	Very low	157 Å²	157	142 Å²	142	82%	0.822	71%	0.705	S	S	*	*			trans	-122.2	133.3	158.2	-79.1	170.5	0	0	0	110.3	L780	L780-L782 PolarHBondContact O-N 3.07Å
783	A	29.6	Very low	46.9	Very low	94 Å²	94	141.4 Å²	141.4	78%	0.777	70%	0.703	S	S	*	*			trans	-60.2	139	-166.8	0	0	0	0	0	113.1	E785	A783-E785 VanDerWaalsContact C-N 3.33Å; A783-E785 PolarHBondContact O-N 3.04Å
784	E	34.5	Very low	49.3	Very low	193 Å²	193	136.3 Å²	136.3	90%	0.902	68%	0.678	S	S	*	*	S	Bend	trans	-57.3	90.8	157.9	-66.3	173.6	141.4	0	0	109.4
785	E	34.9	Very low	51.9	Low	174 Å²	174	129.8 Å²	129.8	81%	0.813	65%	0.647	S	S	*	*			trans	-179.1	124.3	151.8	-103.7	173	-165.3	0	0	112.1	A783	A783-E785 VanDerWaalsContact C-N 3.33Å; A783-E785 PolarHBondContact O-N 3.04Å
786	K	36.9	Very low	54.7	Low	198 Å²	198	124.5 Å²	124.5	86%	0.861	62%	0.624	S	S	*	*			trans	84.7	57	165.7	-58.4	178.8	178.3	170.6	0	120.5
787	Y	40.2	Very low	57.3	Low	219 Å²	219	117.1 Å²	117.1	86%	0.859	60%	0.596	S	S	*	*			trans	-128.5	102.6	147.8	-143.5	-102.8	0	0	0	109.3	P789	Y787-P789 WeakPolarHBondContact O-CD 3.31Å
788	R	56.2	Low	60.1	Low	188 Å²	188	108.2 Å²	108.2	71%	0.709	55%	0.554	S	S	*	*			trans	-78.8	116	162.3	-79.6	-173.7	-176.7	171.6	1.1	105.9	A790	R788-A790 PolarHBondContact O-N 3.29Å
789	P	72.4	Confident	63.2	Low	64 Å²	64	103 Å²	103	42%	0.416	53%	0.528	S	S	.	.			trans	-60.2	135	179.4	-21.7	33.5	0	0	0	109.7	Y787 A791 L792 E793	Y787-P789 WeakPolarHBondContact O-CD 3.31Å; P789-A791 PolarHBondContact O-N 3.03Å; P789-L792 WeakPolarHBondContact O-CA 3.28Å; P789-L792 VanDerWaalsContact O-CB 3.28Å; P789-L792 WeakPolarHBondContact O-CB 3.29Å; P789-L792 PolarHBondContact O-N 3.4Å; P789-E793 PolarHBondContact O-N 3.19Å
790	A	80.3	Confident	66	Low	49 Å²	49	97.4 Å²	97.4	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-54	-30	178.4	0	0	0	0	0	112.8	T718 R788 L792 E793 K794	T718-A790 HydrophobicContact CG2-CB 3.99Å; R788-A790 PolarHBondContact O-N 3.29Å; A790-L792 VanDerWaalsContact C-N 3.34Å; A790-L792 PolarHBondContact O-N 3.15Å; A790-E793 PolarHBondContact O-N 2.84Å; A790-K794 PolarHBondContact O-N 3.23Å
791	A	83.9	Confident	68.9	Low	6 Å²	6	92 Å²	92	5%	0.05	48%	0.479	C	S	.	.	H	α-helix	trans	-57.2	-41.6	170.7	0	0	0	0	0	113.6	L717 T718 F721 P789 K794 M795	L717-A791 HydrophobicContact CB-CB 3.88Å; T718-A791 PolarHBondContact OG1-N 3.16Å; F721-A791 HydrophobicContact CD2-CB 4.14Å; P789-A791 PolarHBondContact O-N 3.03Å; A791-K794 PolarHBondContact O-N 2.94Å; A791-M795 WeakPolarHBondContact O-CB 3.35Å; A791-M795 PolarHBondContact O-N 3.07Å
792	L	84.8	Confident	71.4	Confident	22 Å²	22	86.5 Å²	86.5	12%	0.115	44%	0.441	C	S	.	.	H	α-helix	trans	-65.7	-39.6	178.4	179.4	57.1	0	0	0	111.3	Y751 P789 A790 K794 M795 I796	Y751-L792 HydrophobicContact CD2-CD1 3.91Å; Y751-L792 HydrophobicContact CE2-CD1 3.4Å; Y751-L792 HydrophobicContact CE2-CD2 4.07Å; Y751-L792 HydrophobicContact CE2-CG 4.29Å; Y751-L792 WeakPolarHBondContact OH-CD2 3.22Å; P789-L792 WeakPolarHBondContact O-CA 3.28Å; P789-L792 VanDerWaalsContact O-CB 3.28Å; P789-L792 WeakPolarHBondContact O-CB 3.29Å; P789-L792 PolarHBondContact O-N 3.4Å; A790-L792 VanDerWaalsContact C-N 3.34Å; A790-L792 PolarHBondContact O-N 3.15Å; L792-K794 VanDerWaalsContact C-N 3.34Å; L792-K794 PolarHBondContact O-N 3.26Å; L792-M795 HydrophobicContact CD1-CE 3.57Å; L792-M795 PolarHBondContact O-N 3.31Å; L792-I796 HydrophobicContact CD1-CD1 4Å; L792-I796 HydrophobicContact CD1-CG1 4.17Å; L792-I796 HydrophobicContact CG-CD1 3.88Å; L792-I796 HydrophobicContact CG-CG1 4.48Å; L792-I796 WeakPolarHBondContact O-CB 3.45Å; L792-I796 VanDerWaalsContact O-CG1 3.23Å; L792-I796 WeakPolarHBondContact O-CG1 3.45Å; L792-I796 PolarHBondContact O-N 3Å
793	E	87.8	Confident	74.4	Confident	114 Å²	114	81.1 Å²	81.1	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-63.1	-41.6	176.4	-62.5	-170.5	160.6	0	0	111.8	P789 A790 I796 A797	P789-E793 PolarHBondContact O-N 3.19Å; A790-E793 PolarHBondContact O-N 2.84Å; E793-I796 PolarHBondContact O-N 2.85Å; E793-A797 WeakPolarHBondContact O-CB 3.42Å; E793-A797 PolarHBondContact O-N 2.91Å
794	K	89.8	Confident	77.2	Confident	78 Å²	78	82.8 Å²	82.8	34%	0.339	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-42.5	175.4	-68	-62.9	-175.6	179.8	0	112.3	T718 F721 A722 A790 A791 L792 A797 L798	T718-K794 HydrophobicContact CG2-CG 4.46Å; F721-K794 HydrophobicContact CB-CB 3.7Å; A722-K794 HydrophobicContact CB-CD 4.42Å; A722-K794 HydrophobicContact CB-CG 4.5Å; A790-K794 PolarHBondContact O-N 3.23Å; A791-K794 PolarHBondContact O-N 2.94Å; L792-K794 VanDerWaalsContact C-N 3.34Å; L792-K794 PolarHBondContact O-N 3.26Å; K794-A797 PolarHBondContact O-N 2.88Å; K794-L798 PolarHBondContact O-N 3.15Å
795	M	90.5	Very high	79.7	Confident	16 Å²	16	76.5 Å²	76.5	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-45.6	175.1	-171.9	-173.6	81.8	0	0	111.4	F721 M747 Y751 A791 L792 A797 L798 V799	F721-M795 HydrophobicContact CD1-CB 3.78Å; F721-M795 HydrophobicContact CD1-CG 3.87Å; F721-M795 HydrophobicContact CD2-CB 4.16Å; F721-M795 HydrophobicContact CE1-CB 3.94Å; F721-M795 HydrophobicContact CE1-CG 3.59Å; F721-M795 HydrophobicContact CE1-SD 3.95Å; F721-M795 HydrophobicContact CE2-CB 4.29Å; F721-M795 HydrophobicContact CE2-SD 4.41Å; F721-M795 HydrophobicContact CG-CB 3.91Å; F721-M795 HydrophobicContact CG-CG 4.47Å; F721-M795 HydrophobicContact CZ-CB 4.19Å; F721-M795 HydrophobicContact CZ-CG 3.97Å; F721-M795 HydrophobicContact CZ-SD 3.77Å; M747-M795 HydrophobicContact CB-CG 4.34Å; M747-M795 HydrophobicContact CB-SD 4.34Å; M747-M795 HydrophobicContact SD-CG 4.05Å; Y751-M795 HydrophobicContact CD2-CE 3.83Å; Y751-M795 HydrophobicContact CG-CE 3.91Å; A791-M795 WeakPolarHBondContact O-CB 3.35Å; A791-M795 PolarHBondContact O-N 3.07Å; L792-M795 HydrophobicContact CD1-CE 3.57Å; L792-M795 PolarHBondContact O-N 3.31Å; M795-A797 PolarHBondContact O-N 2.65Å; M795-L798 PolarHBondContact O-N 3.43Å; M795-V799 WeakPolarHBondContact O-CG2 3.26Å; M795-V799 PolarHBondContact O-N 3.15Å
796	I	90.7	Very high	82.1	Confident	91 Å²	91	70.5 Å²	70.5	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-43.3	177.3	-69.4	166	0	0	0	110.9	L792 E793 L798 V799 A800	L792-I796 HydrophobicContact CD1-CD1 4Å; L792-I796 HydrophobicContact CD1-CG1 4.17Å; L792-I796 HydrophobicContact CG-CD1 3.88Å; L792-I796 HydrophobicContact CG-CG1 4.48Å; L792-I796 WeakPolarHBondContact O-CB 3.45Å; L792-I796 VanDerWaalsContact O-CG1 3.23Å; L792-I796 WeakPolarHBondContact O-CG1 3.45Å; L792-I796 PolarHBondContact O-N 3Å; E793-I796 PolarHBondContact O-N 2.85Å; I796-L798 VanDerWaalsContact C-N 3.33Å; I796-L798 PolarHBondContact O-N 3.34Å; I796-V799 PolarHBondContact O-N 3.25Å; I796-A800 VanDerWaalsContact O-CB 3.32Å; I796-A800 WeakPolarHBondContact O-CB 3.43Å; I796-A800 PolarHBondContact O-N 3.41Å
797	A	93.3	Very high	84.2	Confident	34 Å²	34	69.7 Å²	69.7	28%	0.281	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-40.9	177.8	0	0	0	0	0	112.2	Y725 E793 K794 M795 L801	Y725-A797 HydrophobicContact CD2-CB 4.1Å; Y725-A797 HydrophobicContact CE2-CB 3.84Å; E793-A797 WeakPolarHBondContact O-CB 3.42Å; E793-A797 PolarHBondContact O-N 2.91Å; K794-A797 PolarHBondContact O-N 2.88Å; M795-A797 PolarHBondContact O-N 2.65Å; A797-L801 WeakPolarHBondContact O-CB 3.33Å; A797-L801 PolarHBondContact O-N 3.34Å
798	L	93.8	Very high	85.2	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-48.3	174.2	171.2	60.2	0	0	0	112.2	L724 Y725 A728 L738 M747 K794 M795 I796 A800 L801 L802	L724-L798 HydrophobicContact CB-CD2 3.39Å; L724-L798 HydrophobicContact CD1-CD2 4.24Å; L724-L798 HydrophobicContact CG-CD2 4.47Å; Y725-L798 HydrophobicContact CD2-CB 4.06Å; A728-L798 HydrophobicContact CB-CD1 3.67Å; L738-L798 HydrophobicContact CD1-CD1 4.37Å; M747-L798 HydrophobicContact CE-CD2 3.88Å; M747-L798 HydrophobicContact CE-CG 3.97Å; M747-L798 HydrophobicContact SD-CD2 3.5Å; M747-L798 VanDerWaalsContact SD-CD2 3.5Å; M747-L798 HydrophobicContact SD-CG 4.09Å; K794-L798 PolarHBondContact O-N 3.15Å; M795-L798 PolarHBondContact O-N 3.43Å; I796-L798 VanDerWaalsContact C-N 3.33Å; I796-L798 PolarHBondContact O-N 3.34Å; L798-A800 VanDerWaalsContact C-N 3.32Å; L798-A800 PolarHBondContact O-N 2.93Å; L798-L801 PolarHBondContact O-N 2.93Å; L798-L802 HydrophobicContact CD1-CD1 3.82Å; L798-L802 HydrophobicContact CD1-CG 3.93Å; L798-L802 HydrophobicContact CG-CD1 4.18Å; L798-L802 WeakPolarHBondContact O-CG 3.5Å; L798-L802 PolarHBondContact O-N 3.4Å
799	V	92.9	Very high	84.9	Confident	30 Å²	30	60.1 Å²	60.1	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-44	177.3	171.2	0	0	0	0	110.7	I744 M747 M795 I796 L801 L802 V803	I744-V799 HydrophobicContact CG2-CG1 4.22Å; M747-V799 HydrophobicContact CB-CG2 4.5Å; M747-V799 HydrophobicContact CE-CG2 3.75Å; M747-V799 HydrophobicContact SD-CG2 4.14Å; M795-V799 WeakPolarHBondContact O-CG2 3.26Å; M795-V799 PolarHBondContact O-N 3.15Å; I796-V799 PolarHBondContact O-N 3.25Å; V799-L801 VanDerWaalsContact C-N 3.34Å; V799-L801 PolarHBondContact O-N 3.2Å; V799-L802 PolarHBondContact O-N 3.38Å; V799-V803 HydrophobicContact CG1-CG2 4.19Å; V799-V803 WeakPolarHBondContact O-CB 3.44Å; V799-V803 WeakPolarHBondContact O-CG2 3.22Å; V799-V803 PolarHBondContact O-N 2.93Å
800	A	92.6	Very high	83.3	Confident	58 Å²	58	71 Å²	71	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-44.7	177.8	0	0	0	0	0	112	I796 L798 V803 E804	I796-A800 VanDerWaalsContact O-CB 3.32Å; I796-A800 WeakPolarHBondContact O-CB 3.43Å; I796-A800 PolarHBondContact O-N 3.41Å; L798-A800 VanDerWaalsContact C-N 3.32Å; L798-A800 PolarHBondContact O-N 2.93Å; A800-V803 PolarHBondContact O-N 2.86Å; A800-E804 PolarHBondContact O-N 3.42Å
801	L	92.9	Very high	83.5	Confident	30 Å²	30	72.1 Å²	72.1	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-49.4	176.7	179.9	66.6	0	0	0	111.7	Y725 A728 K729 A797 L798 V799 V803 E804 Q805	Y725-L801 HydrophobicContact CD2-CD2 4.43Å; Y725-L801 HydrophobicContact CE2-CB 4.48Å; Y725-L801 HydrophobicContact CE2-CD2 4.15Å; A728-L801 HydrophobicContact CB-CD2 3.8Å; K729-L801 HydrophobicContact CB-CD2 4.29Å; A797-L801 WeakPolarHBondContact O-CB 3.33Å; A797-L801 PolarHBondContact O-N 3.34Å; L798-L801 PolarHBondContact O-N 2.93Å; V799-L801 VanDerWaalsContact C-N 3.34Å; V799-L801 PolarHBondContact O-N 3.2Å; L801-V803 VanDerWaalsContact C-N 3.3Å; L801-V803 PolarHBondContact O-N 3Å; L801-E804 PolarHBondContact O-N 3.48Å; L801-Q805 WeakPolarHBondContact O-CG 3.5Å; L801-Q805 PolarHBondContact O-N 2.98Å
802	L	92.5	Very high	83.5	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-33.7	179.5	-65.7	177.1	0	0	0	112.2	A728 L738 L739 A743 I744 M747 L798 V799 Q805 S806	A728-L802 HydrophobicContact CB-CD2 4.15Å; L738-L802 HydrophobicContact CB-CD1 4.28Å; L738-L802 HydrophobicContact CB-CD2 4.02Å; L738-L802 HydrophobicContact CD1-CD1 4.38Å; L738-L802 HydrophobicContact CD1-CD2 4.07Å; L739-L802 HydrophobicContact CD2-CB 4.12Å; L739-L802 HydrophobicContact CG-CD2 4.48Å; A743-L802 HydrophobicContact CB-CD1 4.42Å; I744-L802 HydrophobicContact CD1-CB 3.81Å; I744-L802 HydrophobicContact CG1-CB 3.9Å; I744-L802 HydrophobicContact CG1-CD1 4.05Å; M747-L802 HydrophobicContact CE-CD1 4.04Å; L798-L802 HydrophobicContact CD1-CD1 3.82Å; L798-L802 HydrophobicContact CD1-CG 3.93Å; L798-L802 HydrophobicContact CG-CD1 4.18Å; L798-L802 WeakPolarHBondContact O-CG 3.5Å; L798-L802 PolarHBondContact O-N 3.4Å; V799-L802 PolarHBondContact O-N 3.38Å; L802-Q805 PolarHBondContact O-N 2.9Å; L802-S806 WeakPolarHBondContact O-CB 3.4Å; L802-S806 PolarHBondContact O-N 3.49Å; L802-S806 PolarHBondContact O-OG 3.46Å
803	V	91.7	Very high	83.4	Confident	44 Å²	44	78.5 Å²	78.5	27%	0.267	39%	0.385	S	S	.	.	H	α-helix	trans	-67.9	-38.3	174.4	169.9	0	0	0	0	111.4	I744 V799 A800 L801 S806 R807	I744-V803 HydrophobicContact CD1-CG2 3.94Å; V799-V803 HydrophobicContact CG1-CG2 4.19Å; V799-V803 WeakPolarHBondContact O-CB 3.44Å; V799-V803 WeakPolarHBondContact O-CG2 3.22Å; V799-V803 PolarHBondContact O-N 2.93Å; A800-V803 PolarHBondContact O-N 2.86Å; L801-V803 VanDerWaalsContact C-N 3.3Å; L801-V803 PolarHBondContact O-N 3Å; V803-S806 PolarHBondContact O-OG 3.27Å; V803-R807 WeakPolarHBondContact O-CG 3.38Å
804	E	89.4	Confident	83.1	Confident	128 Å²	128	76.4 Å²	76.4	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-64.3	-47.5	174	-172.1	171.8	-168.5	0	0	110.7	A800 L801 S806 R807 S808	A800-E804 PolarHBondContact O-N 3.42Å; L801-E804 PolarHBondContact O-N 3.48Å; E804-S806 PolarHBondContact O-N 3.36Å; E804-R807 WeakPolarHBondContact O-CB 3.33Å; E804-R807 PolarHBondContact O-N 3.27Å; E804-R807 VanDerWaalsContact O-N 3.08Å; E804-S808 PolarHBondContact O-N 3.43Å; E804-S808 PolarHBondContact O-OG 3.08Å
805	Q	86.8	Confident	82.7	Confident	61 Å²	61	76.3 Å²	76.3	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-36.4	179.9	-66.1	-60.4	-15.8	0	0	113.5	L801 L802 R807 S808	L801-Q805 WeakPolarHBondContact O-CG 3.5Å; L801-Q805 PolarHBondContact O-N 2.98Å; L802-Q805 PolarHBondContact O-N 2.9Å; Q805-R807 PolarHBondContact O-N 3.2Å; Q805-S808 WeakPolarHBondContact CA-OG 3.41Å; Q805-S808 WeakPolarHBondContact O-CB 3.42Å; Q805-S808 PolarHBondContact O-N 3.18Å; Q805-S808 VanDerWaalsContact O-N 3.11Å; Q805-S808 PolarHBondContact O-OG 2.97Å; Q805-S808 PolarHBondContact OE1-OG 2.7Å
806	S	84.3	Confident	82.2	Confident	48 Å²	48	80.3 Å²	80.3	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-67.9	-13.8	175.5	62.4	0	0	0	0	113.9	L802 V803 E804	L802-S806 WeakPolarHBondContact O-CB 3.4Å; L802-S806 PolarHBondContact O-N 3.49Å; L802-S806 PolarHBondContact O-OG 3.46Å; V803-S806 PolarHBondContact O-OG 3.27Å; E804-S806 PolarHBondContact O-N 3.36Å
807	R	81.7	Confident	81.6	Confident	181 Å²	181	79.6 Å²	79.6	68%	0.683	39%	0.394	S	S	*	.	H	α-helix	trans	-89.4	-21.9	173.4	-66.2	170	-178.8	-173.9	1.3	112.6	V803 E804 Q805 E809 R810	V803-R807 WeakPolarHBondContact O-CG 3.38Å; E804-R807 WeakPolarHBondContact O-CB 3.33Å; E804-R807 PolarHBondContact O-N 3.27Å; E804-R807 VanDerWaalsContact O-N 3.08Å; Q805-R807 PolarHBondContact O-N 3.2Å; R807-E809 PolarHBondContact O-N 3.29Å; R807-R810 PolarHBondContact O-N 3.11Å
808	S	60.1	Low	80.7	Confident	77 Å²	77	83.1 Å²	83.1	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-66.5	-21.8	-179.5	-44.9	0	0	0	0	113.8	E804 Q805	E804-S808 PolarHBondContact O-N 3.43Å; E804-S808 PolarHBondContact O-OG 3.08Å; Q805-S808 WeakPolarHBondContact CA-OG 3.41Å; Q805-S808 WeakPolarHBondContact O-CB 3.42Å; Q805-S808 PolarHBondContact O-N 3.18Å; Q805-S808 VanDerWaalsContact O-N 3.11Å; Q805-S808 PolarHBondContact O-OG 2.97Å; Q805-S808 PolarHBondContact OE1-OG 2.7Å
809	E	51.7	Low	79.6	Confident	129 Å²	129	89.8 Å²	89.8	60%	0.603	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	2.3	177.5	-72.5	-173.3	159.3	0	0	114.3	Q736 R807	Q736-E809 PolarHBondContact NE2-OE1 3.46Å; R807-E809 PolarHBondContact O-N 3.29Å
810	R	38.9	Very low	78.4	Confident	292 Å²	292	95.3 Å²	95.3	100%	1.102	46%	0.459	S	S	*	.			trans	-97.9	0	178.5	-83.7	-169.3	178.7	-174.7	1.1	114.7	R807	R807-R810 PolarHBondContact O-N 3.11Å

Retrieved 810 of 810 residues in 508.7 ms (Link to these results)

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