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Isoform l of Piezo-type mechanosensitive ion channel component 1 AlphaSync

Canonical isoform description: Pore-forming subunit of a mechanosensitive non-specific cation channel (By similarity). Generates currents characterized by a linear current-voltage relationship (By similarity). Plays a role in reproduction by positively regulating inter-tissue signaling to promote oocyte maturation, ovulation and fertilization, and sperm navigation from and to the spermatheca¹. May play a role in regulating cytosolic and endoplasmic reticulum calcium ion release².

AlphaFold DB , UniProt , Accession A0A061ACU2-12 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 1,038 aa.

						>PIEZ1_CAEEL|A0A061ACU2-12|pezo-1
MFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	56.2	Low	127 Å²	127	98 Å²	98	63%	0.626	47%	0.474	S	S	*	.				0	-46.3	0	-146.2	-179.6	-165.2	0	0	114.2	D1011 K1015	M1-D1011 HydrophobicContact CE-CB 3.85Å; M1-D1011 WeakPolarHBondContact CE-O 3.38Å; M1-K1015 HydrophobicContact CE-CB 3.96Å; M1-K1015 HydrophobicContact CE-CD 4.19Å; M1-K1015 HydrophobicContact CG-CD 4.43Å; M1-K1015 HydrophobicContact SD-CB 4.34Å
2	F	57.6	Low	56.2	Low	91 Å²	91	100.5 Å²	100.5	40%	0.399	50%	0.499	S	S	.	.			trans	-98.5	-5.5	-174.7	-61.9	-76.6	0	0	0	116.6	Y4 K1015 F1018	F2-Y4 VanDerWaalsContact C-N 3.27Å; F2-Y4 PolarHBondContact O-N 3.04Å; F2-K1015 HydrophobicContact CE1-CG 3.85Å; F2-K1015 HydrophobicContact CZ-CG 4.33Å; F2-F1018 HydrophobicContact CD1-CD1 4.39Å; F2-F1018 HydrophobicContact CD1-CE1 4.5Å; F2-F1018 AromaticContact CE1-CD1 3.49Å; F2-F1018 HydrophobicContact CE1-CD1 3.49Å; F2-F1018 VanDerWaalsContact CE1-CD1 3.49Å; F2-F1018 AromaticContact CE1-CE1 3.98Å; F2-F1018 HydrophobicContact CE1-CE1 3.98Å; F2-F1018 HydrophobicContact CE1-CG 4.31Å; F2-F1018 HydrophobicContact CE2-CD1 4.25Å; F2-F1018 HydrophobicContact CE2-CE1 4.34Å; F2-F1018 HydrophobicContact CZ-CB 4.23Å; F2-F1018 AromaticContact CZ-CD1 3.42Å; F2-F1018 HydrophobicContact CZ-CD1 3.42Å; F2-F1018 VanDerWaalsContact CZ-CD1 3.42Å; F2-F1018 AromaticContact CZ-CE1 3.9Å; F2-F1018 HydrophobicContact CZ-CE1 3.9Å; F2-F1018 AromaticContact CZ-CG 3.87Å; F2-F1018 HydrophobicContact CZ-CG 3.87Å
3	K	54.5	Low	56	Low	218 Å²	218	105.2 Å²	105.2	95%	0.948	52%	0.519	S	S	*	.			trans	-87.8	18.8	-178.9	-69.9	-173	175.3	-178.1	0	114.2
4	Y	58.5	Low	55.5	Low	107 Å²	107	102.4 Å²	102.4	42%	0.42	51%	0.512	S	S	.	.			trans	-88.3	132.1	177.2	178.4	-99.9	0	0	0	108.7	F2 P6 D9	F2-Y4 VanDerWaalsContact C-N 3.27Å; F2-Y4 PolarHBondContact O-N 3.04Å; Y4-P6 VanDerWaalsContact O-CD 3.27Å; Y4-P6 WeakPolarHBondContact O-CD 3.46Å; Y4-D9 HydrophobicContact CE1-CB 4Å; Y4-D9 WeakPolarHBondContact OH-CB 3.44Å; Y4-D9 PolarHBondContact OH-OD2 3.32Å
5	D	56.4	Low	54.6	Low	89 Å²	89	102.9 Å²	102.9	48%	0.476	52%	0.523	S	S	.	.			trans	-79.2	110.3	176.3	-164.7	-14.3	0	0	0	108.9	E7	D5-E7 PolarHBondContact O-N 3.36Å; D5-E7 VanDerWaalsContact O-N 3.12Å; D5-E7 PolarHBondContact OD1-N 2.95Å
6	P	57.1	Low	54.1	Low	22 Å²	22	100.9 Å²	100.9	14%	0.143	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.6	-177.5	26.9	-34.3	0	0	0	112.8	Y4 N8 D9 H989 W1029	Y4-P6 VanDerWaalsContact O-CD 3.27Å; Y4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-N8 PolarHBondContact O-N 3.02Å; P6-N8 VanDerWaalsContact O-N 3.17Å; P6-D9 PolarHBondContact O-N 3.02Å; P6-H989 PolarHBondContact O-CE1 3.31Å; P6-H989 PolarHBondContact O-ND1 3.3Å; P6-W1029 HydrophobicContact CB-CE3 4.48Å; P6-W1029 HydrophobicContact CB-CZ3 4.42Å
7	E	55.2	Low	53.4	Low	86 Å²	86	99.7 Å²	99.7	40%	0.402	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	-175.7	-68.3	-168.3	168.8	0	0	115.2	D5 D9	D5-E7 PolarHBondContact O-N 3.36Å; D5-E7 VanDerWaalsContact O-N 3.12Å; D5-E7 PolarHBondContact OD1-N 2.95Å; E7-D9 VanDerWaalsContact C-N 3.33Å
8	N	55	Low	52.9	Low	125 Å²	125	97.6 Å²	97.6	67%	0.668	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-88.9	0.7	179.6	-73.6	-34.5	0	0	0	114	P6	P6-N8 PolarHBondContact O-N 3.02Å; P6-N8 VanDerWaalsContact O-N 3.17Å
9	D	56.2	Low	52.7	Low	50 Å²	50	97.9 Å²	97.9	27%	0.267	51%	0.509	S	S	.	.			trans	-121.9	67.1	-164.2	-134.2	5.3	0	0	0	110.9	Y4 P6 E7 K992	Y4-D9 HydrophobicContact CE1-CB 4Å; Y4-D9 WeakPolarHBondContact OH-CB 3.44Å; Y4-D9 PolarHBondContact OH-OD2 3.32Å; P6-D9 PolarHBondContact O-N 3.02Å; E7-D9 VanDerWaalsContact C-N 3.33Å; D9-K992 IonicContact OD1-NZ 2.63Å; D9-K992 PolarHBondContact OD1-NZ 2.87Å; D9-K992 IonicContact OD2-NZ 3.72Å; D9-K992 PolarHBondContact OD2-NZ 3.22Å
10	D	59.1	Low	52.4	Low	119 Å²	119	97.8 Å²	97.8	64%	0.636	52%	0.515	S	S	*	.			trans	-66.1	134.5	175.3	-74.9	-37	0	0	0	110.2	V12	D10-V12 PolarHBondContact O-N 3.06Å
11	L	58.8	Low	52.3	Low	44 Å²	44	94.7 Å²	94.7	23%	0.23	50%	0.498	C	S	.	.			trans	-61.2	108.5	168.8	-86.9	167.3	0	0	0	108.4	E13 D988 L991 K992 L995	L11-E13 PolarHBondContact O-N 3.26Å; L11-D988 HydrophobicContact CD1-CB 3.52Å; L11-D988 WeakPolarHBondContact CD1-O 3.45Å; L11-D988 HydrophobicContact CG-CB 4.28Å; L11-L991 HydrophobicContact CD1-CB 4.43Å; L11-L991 HydrophobicContact CD1-CD2 4.16Å; L11-K992 HydrophobicContact CD2-CB 3.95Å; L11-K992 HydrophobicContact CD2-CG 4.38Å; L11-K992 HydrophobicContact CG-CB 4.41Å; L11-L995 HydrophobicContact CD2-CD1 4.06Å
12	V	55.8	Low	52.3	Low	128 Å²	128	91.7 Å²	91.7	78%	0.776	49%	0.486	S	S	*	.			trans	-64.7	120.9	171.1	-177	0	0	0	0	107.7	D10	D10-V12 PolarHBondContact O-N 3.06Å
13	E	54.6	Low	52	Low	161 Å²	161	90.5 Å²	90.5	75%	0.752	48%	0.484	S	S	*	.			trans	-58.3	138	174.5	-67.8	-172.9	167.6	0	0	109.5	L11 V15	L11-E13 PolarHBondContact O-N 3.26Å; E13-V15 PolarHBondContact O-N 2.98Å
14	P	48.1	Very low	51.9	Low	66 Å²	66	84.3 Å²	84.3	43%	0.429	47%	0.466	S	S	.	.			trans	-60.3	110.8	176.1	24.1	-31.2	0	0	0	108.5	D16	P14-D16 PolarHBondContact O-N 3.06Å; P14-D16 VanDerWaalsContact O-N 3.16Å
15	V	43	Very low	51.6	Low	110 Å²	110	86.7 Å²	86.7	67%	0.667	48%	0.479	S	S	*	.			trans	-67	114.2	172.6	-177.7	0	0	0	0	106.2	E13 S17	E13-V15 PolarHBondContact O-N 2.98Å; V15-S17 PolarHBondContact O-N 3.46Å
16	D	45.9	Very low	51.2	Low	72 Å²	72	83.1 Å²	83.1	39%	0.385	46%	0.462	S	S	.	.			trans	-49	130.7	173	-74	-34.1	0	0	0	107.9	P14 F18 K123	P14-D16 PolarHBondContact O-N 3.06Å; P14-D16 VanDerWaalsContact O-N 3.16Å; D16-F18 HydrophobicContact CB-CD2 3.68Å; D16-F18 HydrophobicContact CB-CE2 4.22Å; D16-F18 PolarHBondContact O-N 3.38Å; D16-F18 VanDerWaalsContact O-O 3.1Å; D16-K123 IonicContact OD2-NZ 3.42Å; D16-K123 PolarHBondContact OD2-NZ 2.95Å
17	S	41.4	Very low	51.1	Low	80 Å²	80	83 Å²	83	56%	0.559	46%	0.461	S	S	*	.	S	Bend	trans	-62.2	8.3	-173.4	75.2	0	0	0	0	115.4	V15 Y423	V15-S17 PolarHBondContact O-N 3.46Å; S17-Y423 PolarHBondContact OG-OH 3.46Å
18	F	45.4	Very low	51.4	Low	62 Å²	62	81 Å²	81	27%	0.272	46%	0.459	S	S	.	.	S	Bend	trans	-68.2	139.5	167	-59.1	-72.1	0	0	0	107.8	D16	D16-F18 HydrophobicContact CB-CD2 3.68Å; D16-F18 HydrophobicContact CB-CE2 4.22Å; D16-F18 PolarHBondContact O-N 3.38Å; D16-F18 VanDerWaalsContact O-O 3.1Å
19	V	48.1	Very low	51.9	Low	103 Å²	103	76.9 Å²	76.9	62%	0.624	43%	0.434	S	S	*	.			trans	-43.4	122.7	166.4	178.3	0	0	0	0	107	E21 R126	V19-E21 PolarHBondContact O-N 3.21Å; V19-R126 PolarHBondContact O-NH1 3.27Å; V19-R126 PolarHBondContact O-NH2 3.15Å
20	P	46.7	Very low	52.4	Low	95 Å²	95	79.1 Å²	79.1	62%	0.617	45%	0.446	S	S	*	.			trans	-49.1	132.9	-175.7	-28	33.6	0	0	0	109.9	V22	P20-V22 PolarHBondContact O-N 3.47Å
21	E	51.6	Low	53	Low	34 Å²	34	78.5 Å²	78.5	16%	0.159	44%	0.435	C	S	.	.			trans	-59.5	132.3	172.2	-76.1	-172.1	177.4	0	0	108.6	V19 D23 P24 T27	V19-E21 PolarHBondContact O-N 3.21Å; E21-D23 PolarHBondContact O-N 3.29Å; E21-P24 WeakPolarHBondContact O-CD 3.47Å; E21-T27 VanDerWaalsContact OE1-CG2 3.31Å; E21-T27 WeakPolarHBondContact OE1-CG2 3.47Å; E21-T27 PolarHBondContact OE1-OG1 3.34Å; E21-T27 VanDerWaalsContact OE2-CB 3.29Å; E21-T27 WeakPolarHBondContact OE2-CB 3.34Å; E21-T27 WeakPolarHBondContact OE2-CG2 3Å; E21-T27 PolarHBondContact OE2-OG1 3.43Å
22	V	49.3	Very low	53.8	Low	63 Å²	63	76.5 Å²	76.5	38%	0.382	42%	0.424	S	S	.	.	S	Bend	trans	-57.3	-37.2	177.8	173.7	0	0	0	0	110.4	P20 E179 E182	P20-V22 PolarHBondContact O-N 3.47Å; V22-E179 HydrophobicContact CB-CG 4.28Å; V22-E179 HydrophobicContact CG1-CB 3.66Å; V22-E179 HydrophobicContact CG1-CG 3.38Å; V22-E179 HydrophobicContact CG2-CG 3.92Å; V22-E182 VanDerWaalsContact CG2-OE2 3.23Å; V22-E182 WeakPolarHBondContact CG2-OE2 3.38Å
23	D	52	Low	54.8	Low	66 Å²	66	73.4 Å²	73.4	35%	0.353	40%	0.404	S	S	.	.			trans	-121.4	92	169.7	-169.9	4	0	0	0	110	E21 K25 A26	E21-D23 PolarHBondContact O-N 3.29Å; D23-K25 PolarHBondContact O-N 3.18Å; D23-K25 VanDerWaalsContact OD1-CB 3.25Å; D23-K25 WeakPolarHBondContact OD1-CB 3.2Å; D23-K25 PolarHBondContact OD1-N 2.64Å; D23-K25 VanDerWaalsContact OD1-N 3.13Å; D23-A26 HydrophobicContact CB-CB 4.04Å; D23-A26 WeakPolarHBondContact O-CB 3.32Å; D23-A26 PolarHBondContact O-N 3.14Å
24	P	52.6	Low	56	Low	88 Å²	88	66.9 Å²	66.9	57%	0.571	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19	177.3	22.1	-28.9	0	0	0	112	E21 A26 A28	E21-P24 WeakPolarHBondContact O-CD 3.47Å; P24-A26 VanDerWaalsContact C-N 3.33Å; P24-A28 VanDerWaalsContact O-CB 3.32Å; P24-A28 WeakPolarHBondContact O-CB 3.32Å; P24-A28 PolarHBondContact O-N 3.31Å; P24-A28 VanDerWaalsContact O-N 3.14Å
25	K	50.9	Low	57.7	Low	157 Å²	157	65.4 Å²	65.4	68%	0.683	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-21.7	175.6	-55.5	179.5	178.5	174.2	0	112.7	D23 T27	D23-K25 PolarHBondContact O-N 3.18Å; D23-K25 VanDerWaalsContact OD1-CB 3.25Å; D23-K25 WeakPolarHBondContact OD1-CB 3.2Å; D23-K25 PolarHBondContact OD1-N 2.64Å; D23-K25 VanDerWaalsContact OD1-N 3.13Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 3.05Å
26	A	48.6	Very low	59.6	Low	15 Å²	15	61.3 Å²	61.3	12%	0.124	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-25	-176.6	0	0	0	0	0	113.2	D23 P24 Q190	D23-A26 HydrophobicContact CB-CB 4.04Å; D23-A26 WeakPolarHBondContact O-CB 3.32Å; D23-A26 PolarHBondContact O-N 3.14Å; P24-A26 VanDerWaalsContact C-N 3.33Å; A26-Q190 PolarHBondContact O-NE2 3.5Å
27	T	55.4	Low	61.4	Low	20 Å²	20	58 Å²	58	12%	0.123	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	0.1	171.2	73.1	0	0	0	0	114.1	E21 K25 Y29 V119	E21-T27 VanDerWaalsContact OE1-CG2 3.31Å; E21-T27 WeakPolarHBondContact OE1-CG2 3.47Å; E21-T27 PolarHBondContact OE1-OG1 3.34Å; E21-T27 VanDerWaalsContact OE2-CB 3.29Å; E21-T27 WeakPolarHBondContact OE2-CB 3.34Å; E21-T27 WeakPolarHBondContact OE2-CG2 3Å; E21-T27 PolarHBondContact OE2-OG1 3.43Å; K25-T27 VanDerWaalsContact C-N 3.31Å; K25-T27 PolarHBondContact O-N 3.05Å; T27-Y29 PolarHBondContact O-N 3.4Å; T27-V119 WeakPolarHBondContact O-CG1 3.32Å
28	A	60.4	Low	63.4	Low	44 Å²	44	58.1 Å²	58.1	36%	0.364	32%	0.32	S	S	.	.	S	Bend	trans	-61.4	131.8	170.3	0	0	0	0	0	110.5	P24 D30	P24-A28 VanDerWaalsContact O-CB 3.32Å; P24-A28 WeakPolarHBondContact O-CB 3.32Å; P24-A28 PolarHBondContact O-N 3.31Å; P24-A28 VanDerWaalsContact O-N 3.14Å; A28-D30 VanDerWaalsContact C-N 3.35Å; A28-D30 PolarHBondContact O-N 3.35Å
29	Y	65.2	Low	65.2	Low	37 Å²	37	57.8 Å²	57.8	15%	0.145	32%	0.318	C	S	.	.			trans	-80	86.4	173	-170.4	-98.3	0	0	0	109.2	T27 R31 D33 S112 D115 L116 V119	T27-Y29 PolarHBondContact O-N 3.4Å; Y29-R31 HydrophobicContact CD1-CB 4.42Å; Y29-R31 VanDerWaalsContact CD1-O 3.32Å; Y29-R31 WeakPolarHBondContact CD1-O 3.37Å; Y29-R31 HydrophobicContact CE1-CB 3.84Å; Y29-R31 VanDerWaalsContact CE1-O 3.24Å; Y29-R31 WeakPolarHBondContact CE1-O 3.31Å; Y29-R31 PolarHBondContact O-N 3.39Å; Y29-D33 VanDerWaalsContact CD1-OD1 3.23Å; Y29-D33 WeakPolarHBondContact CD1-OD1 3.44Å; Y29-D33 VanDerWaalsContact CE1-OD1 3.3Å; Y29-D33 WeakPolarHBondContact CE1-OD1 3.43Å; Y29-S112 VanDerWaalsContact OH-CA 3.32Å; Y29-S112 WeakPolarHBondContact OH-CA 3.35Å; Y29-S112 WeakPolarHBondContact OH-CB 3.29Å; Y29-S112 PolarHBondContact OH-O 3.03Å; Y29-S112 PolarHBondContact OH-OG 3.31Å; Y29-D115 HydrophobicContact CE2-CB 3.98Å; Y29-L116 HydrophobicContact CD1-CD1 4.42Å; Y29-L116 HydrophobicContact CD2-CB 4.38Å; Y29-L116 HydrophobicContact CD2-CD1 4.2Å; Y29-L116 HydrophobicContact CE2-CB 3.97Å; Y29-L116 HydrophobicContact CG-CD1 4.14Å; Y29-V119 HydrophobicContact CD2-CG2 4.47Å
30	D	67.2	Low	66.8	Low	97 Å²	97	52.9 Å²	52.9	52%	0.519	29%	0.288	S	S	.	.			trans	-80.4	27.6	-175.9	-75	-12.7	0	0	0	114.2	A28 R67	A28-D30 VanDerWaalsContact C-N 3.35Å; A28-D30 PolarHBondContact O-N 3.35Å; D30-R67 PolarHBondContact O-NH1 3.31Å
31	R	72.9	Confident	68.6	Low	107 Å²	107	48.3 Å²	48.3	40%	0.404	26%	0.258	S	S	.	.	S	Bend	trans	-125.8	165	179.3	-66	179.6	-179.3	171.7	0.4	111	Y29 D33 D115	Y29-R31 HydrophobicContact CD1-CB 4.42Å; Y29-R31 VanDerWaalsContact CD1-O 3.32Å; Y29-R31 WeakPolarHBondContact CD1-O 3.37Å; Y29-R31 HydrophobicContact CE1-CB 3.84Å; Y29-R31 VanDerWaalsContact CE1-O 3.24Å; Y29-R31 WeakPolarHBondContact CE1-O 3.31Å; Y29-R31 PolarHBondContact O-N 3.39Å; R31-D33 PolarHBondContact O-N 3.23Å; R31-D115 IonicContact CZ-OD2 3.12Å; R31-D115 IonicContact NH1-OD2 3.01Å; R31-D115 PolarHBondContact NH1-OD2 3.38Å
32	L	74.7	Confident	70.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.261	C	S	.	.			trans	-62.8	129.9	171.2	-80.2	90.4	0	0	0	110.8	Q36 I37 V55 D59 R67 A71 S112	L32-Q36 HydrophobicContact CB-CB 4.35Å; L32-Q36 HydrophobicContact CD2-CB 4.16Å; L32-I37 HydrophobicContact CB-CD1 4.36Å; L32-I37 HydrophobicContact CB-CG1 3.77Å; L32-V55 HydrophobicContact CD2-CG2 4.44Å; L32-D59 VanDerWaalsContact CD1-OD1 3.25Å; L32-D59 WeakPolarHBondContact CD1-OD1 3.49Å; L32-D59 PolarHBondContact N-OD1 3.16Å; L32-R67 HydrophobicContact CD1-CG 3.43Å; L32-R67 VanDerWaalsContact CD1-CG 3.43Å; L32-R67 HydrophobicContact CG-CG 4.04Å; L32-A71 HydrophobicContact CD2-CB 3.35Å; L32-S112 PolarHBondContact O-OG 2.76Å
33	D	77.1	Confident	71.5	Confident	64 Å²	64	46.8 Å²	46.8	34%	0.342	25%	0.254	S	S	.	.			trans	-63.5	152.2	174.6	-77.5	-22.8	0	0	0	110.9	Y29 R31 G35 Q36 I37	Y29-D33 VanDerWaalsContact CD1-OD1 3.23Å; Y29-D33 WeakPolarHBondContact CD1-OD1 3.44Å; Y29-D33 VanDerWaalsContact CE1-OD1 3.3Å; Y29-D33 WeakPolarHBondContact CE1-OD1 3.43Å; R31-D33 PolarHBondContact O-N 3.23Å; D33-G35 PolarHBondContact O-N 3.28Å; D33-Q36 HydrophobicContact CB-CG 4.3Å; D33-Q36 WeakPolarHBondContact O-CA 3.29Å; D33-Q36 PolarHBondContact O-N 2.92Å; D33-I37 WeakPolarHBondContact O-CG1 3.22Å; D33-I37 PolarHBondContact O-N 3.39Å
34	P	80.6	Confident	72.8	Confident	24 Å²	24	44.6 Å²	44.6	16%	0.156	24%	0.242	C	C	.	.	H	α-helix	trans	-52.5	-33.2	174.7	-24.7	32.2	0	0	0	112.9	M38 M109 S112 A113 L116	P34-M38 WeakPolarHBondContact O-CB 3.35Å; P34-M38 PolarHBondContact O-N 3.08Å; P34-M109 HydrophobicContact CB-CE 3.77Å; P34-M109 HydrophobicContact CB-SD 4.32Å; P34-M109 WeakPolarHBondContact O-CE 3.16Å; P34-S112 VanDerWaalsContact CD-OG 3.29Å; P34-S112 WeakPolarHBondContact CD-OG 3.27Å; P34-S112 WeakPolarHBondContact CG-OG 3.4Å; P34-A113 HydrophobicContact CG-CB 4.12Å; P34-L116 HydrophobicContact CG-CD2 4.44Å
35	G	82.7	Confident	74.1	Confident	34 Å²	34	43.8 Å²	43.8	35%	0.351	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-40.1	174.9	0	0	0	0	0	113.5	D33 M38 Y39	D33-G35 PolarHBondContact O-N 3.28Å; G35-M38 PolarHBondContact O-N 3.14Å; G35-Y39 WeakPolarHBondContact O-CB 3.03Å; G35-Y39 PolarHBondContact O-N 3.3Å
36	Q	82.6	Confident	75.5	Confident	24 Å²	24	40.5 Å²	40.5	11%	0.112	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-38.6	176.1	-69.4	178.8	-28.5	0	0	111.5	L32 D33 M38 Y39 A40 A624 Y625	L32-Q36 HydrophobicContact CB-CB 4.35Å; L32-Q36 HydrophobicContact CD2-CB 4.16Å; D33-Q36 HydrophobicContact CB-CG 4.3Å; D33-Q36 WeakPolarHBondContact O-CA 3.29Å; D33-Q36 PolarHBondContact O-N 2.92Å; Q36-M38 VanDerWaalsContact C-N 3.34Å; Q36-Y39 PolarHBondContact O-N 3.47Å; Q36-A40 WeakPolarHBondContact O-CB 3.27Å; Q36-A40 PolarHBondContact O-N 3.43Å; Q36-A624 PolarHBondContact NE2-O 3.25Å; Q36-Y625 HydrophobicContact CG-CD1 4.47Å; Q36-Y625 HydrophobicContact CG-CE1 4.05Å
37	I	83.2	Confident	77	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-44.6	173.9	-62.9	172.3	0	0	0	110.4	L32 D33 A40 A41 V55 F105 K108 M109	L32-I37 HydrophobicContact CB-CD1 4.36Å; L32-I37 HydrophobicContact CB-CG1 3.77Å; D33-I37 WeakPolarHBondContact O-CG1 3.22Å; D33-I37 PolarHBondContact O-N 3.39Å; I37-A40 PolarHBondContact O-N 2.84Å; I37-A41 WeakPolarHBondContact O-CB 3.4Å; I37-A41 PolarHBondContact O-N 3.37Å; I37-V55 HydrophobicContact CD1-CG1 4.25Å; I37-V55 HydrophobicContact CG1-CG1 4.01Å; I37-V55 HydrophobicContact CG1-CG2 4.3Å; I37-V55 HydrophobicContact CG2-CG2 4.27Å; I37-F105 HydrophobicContact CG2-CD2 4.42Å; I37-F105 HydrophobicContact CG2-CE2 3.64Å; I37-F105 HydrophobicContact CG2-CZ 4.18Å; I37-K108 HydrophobicContact CD1-CG 4.46Å; I37-M109 HydrophobicContact CB-SD 3.75Å; I37-M109 HydrophobicContact CD1-SD 4.45Å; I37-M109 HydrophobicContact CG2-CG 4.22Å; I37-M109 HydrophobicContact CG2-SD 3.49Å; I37-M109 WeakPolarHBondContact CG2-SD 3.41Å
38	M	83.6	Confident	78.4	Confident	83 Å²	83	42.5 Å²	42.5	41%	0.409	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-42.6	175.4	-174.1	62.2	68.4	0	0	111.5	P34 G35 Q36 A41 T42 M109	P34-M38 WeakPolarHBondContact O-CB 3.35Å; P34-M38 PolarHBondContact O-N 3.08Å; G35-M38 PolarHBondContact O-N 3.14Å; Q36-M38 VanDerWaalsContact C-N 3.34Å; M38-A41 WeakPolarHBondContact O-CB 3.38Å; M38-A41 PolarHBondContact O-N 3.16Å; M38-T42 WeakPolarHBondContact O-CG2 3.4Å; M38-T42 PolarHBondContact O-N 3.03Å; M38-T42 PolarHBondContact O-OG1 3.42Å; M38-M109 HydrophobicContact CE-CE 4.1Å
39	Y	83.3	Confident	79.3	Confident	55 Å²	55	41.9 Å²	41.9	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-47	176.2	178.6	-108.3	0	0	0	111.6	G35 Q36 A41 T42 A43 V72 Y625	G35-Y39 WeakPolarHBondContact O-CB 3.03Å; G35-Y39 PolarHBondContact O-N 3.3Å; Q36-Y39 PolarHBondContact O-N 3.47Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; Y39-A41 PolarHBondContact O-N 3.14Å; Y39-T42 WeakPolarHBondContact CA-OG1 3.37Å; Y39-T42 PolarHBondContact O-N 3.29Å; Y39-T42 VanDerWaalsContact O-N 3.15Å; Y39-T42 PolarHBondContact O-OG1 3.37Å; Y39-A43 WeakPolarHBondContact O-CB 3.37Å; Y39-A43 PolarHBondContact O-N 3.06Å; Y39-V72 HydrophobicContact CD1-CG2 3.69Å; Y39-V72 HydrophobicContact CE1-CG1 4.24Å; Y39-V72 HydrophobicContact CE1-CG2 3.7Å; Y39-Y625 AromaticContact CD1-CD1 3.83Å; Y39-Y625 HydrophobicContact CD1-CD1 3.83Å; Y39-Y625 HydrophobicContact CD2-CD1 4.2Å; Y39-Y625 HydrophobicContact CE1-CD1 4.46Å; Y39-Y625 AromaticContact CG-CD1 3.66Å; Y39-Y625 HydrophobicContact CG-CD1 3.66Å; Y39-Y625 HydrophobicContact CG-CE1 4.41Å; Y39-Y625 HydrophobicContact CG-CG 4.49Å
40	A	82.4	Confident	80.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-44.3	173.3	0	0	0	0	0	111.7	Q36 I37 T42 A43 H44 T51 A71 V72	Q36-A40 WeakPolarHBondContact O-CB 3.27Å; Q36-A40 PolarHBondContact O-N 3.43Å; I37-A40 PolarHBondContact O-N 2.84Å; A40-T42 VanDerWaalsContact C-N 3.32Å; A40-T42 PolarHBondContact O-N 2.9Å; A40-A43 PolarHBondContact O-N 3.38Å; A40-H44 PolarHBondContact O-CD2 3.41Å; A40-H44 PolarHBondContact O-N 3.12Å; A40-T51 HydrophobicContact CB-CG2 4.16Å; A40-A71 HydrophobicContact CB-CB 4.16Å; A40-V72 HydrophobicContact CB-CG2 4.28Å
41	A	83.9	Confident	80.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-41.4	176.2	0	0	0	0	0	112.5	I37 M38 Y39 H44 D45 L46 T51 F105	I37-A41 WeakPolarHBondContact O-CB 3.4Å; I37-A41 PolarHBondContact O-N 3.37Å; M38-A41 WeakPolarHBondContact O-CB 3.38Å; M38-A41 PolarHBondContact O-N 3.16Å; Y39-A41 VanDerWaalsContact C-N 3.32Å; Y39-A41 PolarHBondContact O-N 3.14Å; A41-H44 PolarHBondContact O-N 2.64Å; A41-D45 PolarHBondContact O-N 2.91Å; A41-L46 HydrophobicContact CB-CD2 4.45Å; A41-L46 WeakPolarHBondContact O-CA 3.41Å; A41-L46 PolarHBondContact O-N 3.4Å; A41-T51 HydrophobicContact CB-CG2 3.9Å; A41-F105 HydrophobicContact CB-CE2 3.77Å; A41-F105 HydrophobicContact CB-CZ 3.73Å
42	T	82.7	Confident	81.4	Confident	36 Å²	36	36.4 Å²	36.4	22%	0.221	20%	0.201	C	C	.	.	H	α-helix	trans	-71.8	-32.3	177.8	60.2	0	0	0	0	113	M38 Y39 A40 H44 D45 L636	M38-T42 WeakPolarHBondContact O-CG2 3.4Å; M38-T42 PolarHBondContact O-N 3.03Å; M38-T42 PolarHBondContact O-OG1 3.42Å; Y39-T42 WeakPolarHBondContact CA-OG1 3.37Å; Y39-T42 PolarHBondContact O-N 3.29Å; Y39-T42 VanDerWaalsContact O-N 3.15Å; Y39-T42 PolarHBondContact O-OG1 3.37Å; A40-T42 VanDerWaalsContact C-N 3.32Å; A40-T42 PolarHBondContact O-N 2.9Å; T42-H44 VanDerWaalsContact C-N 3.34Å; T42-D45 PolarHBondContact O-N 3.37Å; T42-L636 HydrophobicContact CG2-CD2 4.41Å
43	A	80.5	Confident	81.8	Confident	28 Å²	28	40.9 Å²	40.9	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-37.2	175.5	0	0	0	0	0	111.6	Y39 A40 D45 V72	Y39-A43 WeakPolarHBondContact O-CB 3.37Å; Y39-A43 PolarHBondContact O-N 3.06Å; A40-A43 PolarHBondContact O-N 3.38Å; A43-D45 VanDerWaalsContact C-N 3.27Å; A43-D45 PolarHBondContact O-N 3.36Å; A43-V72 HydrophobicContact CB-CG1 3.72Å
44	H	78.8	Confident	82.1	Confident	21 Å²	21	38.4 Å²	38.4	10%	0.097	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	21.4	175.5	-66.6	-59.4	0	0	0	114.1	A40 A41 T42 L46 D47 A71 V72	A40-H44 PolarHBondContact O-CD2 3.41Å; A40-H44 PolarHBondContact O-N 3.12Å; A41-H44 PolarHBondContact O-N 2.64Å; T42-H44 VanDerWaalsContact C-N 3.34Å; H44-L46 PolarHBondContact O-N 2.74Å; H44-L46 VanDerWaalsContact O-N 3.12Å; H44-D47 HydrophobicContact CB-CB 4.46Å; H44-D47 VanDerWaalsContact O-CB 3.3Å; H44-D47 WeakPolarHBondContact O-CB 3.42Å; H44-D47 PolarHBondContact O-N 3.06Å; H44-A71 PolarHBondContact NE2-O 2.8Å; H44-V72 PolarHBondContact CE1-O 3.03Å
45	D	79.7	Confident	82.3	Confident	70 Å²	70	37.3 Å²	37.3	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	35.7	178.9	-78.2	-26.4	0	0	0	114.3	A41 T42 A43 D47 G634 K635 L636	A41-D45 PolarHBondContact O-N 2.91Å; T42-D45 PolarHBondContact O-N 3.37Å; A43-D45 VanDerWaalsContact C-N 3.27Å; A43-D45 PolarHBondContact O-N 3.36Å; D45-D47 VanDerWaalsContact C-N 3.28Å; D45-D47 PolarHBondContact O-N 2.94Å; D45-G634 VanDerWaalsContact OD1-C 3.26Å; D45-G634 WeakPolarHBondContact OD1-CA 3.35Å; D45-K635 PolarHBondContact OD1-N 3.42Å; D45-K635 PolarHBondContact OD2-N 3.02Å; D45-L636 WeakPolarHBondContact OD1-CB 3.2Å; D45-L636 PolarHBondContact OD1-N 3.36Å
46	L	79.5	Confident	82.3	Confident	88 Å²	88	42 Å²	42	46%	0.461	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	27.3	-174.6	-64.4	163.4	0	0	0	114.5	A41 H44 L48 L636	A41-L46 HydrophobicContact CB-CD2 4.45Å; A41-L46 WeakPolarHBondContact O-CA 3.41Å; A41-L46 PolarHBondContact O-N 3.4Å; H44-L46 PolarHBondContact O-N 2.74Å; H44-L46 VanDerWaalsContact O-N 3.12Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 HydrophobicContact CD2-CD2 4.28Å; L46-L48 WeakPolarHBondContact O-CG 3.37Å; L46-L48 PolarHBondContact O-N 3.44Å; L46-L636 HydrophobicContact CD1-CD1 4.36Å; L46-L636 HydrophobicContact CD1-CD2 3.46Å; L46-L636 VanDerWaalsContact CD1-CD2 3.46Å; L46-L636 HydrophobicContact CD2-CD2 4.36Å; L46-L636 HydrophobicContact CG-CD2 3.49Å; L46-L636 VanDerWaalsContact CG-CD2 3.49Å
47	D	81.1	Confident	82.3	Confident	55 Å²	55	46.1 Å²	46.1	29%	0.294	23%	0.23	S	C	.	.			trans	-72.4	84.5	163.6	-165.5	-23.7	0	0	0	109.6	H44 D45 A49 K50 T51	H44-D47 HydrophobicContact CB-CB 4.46Å; H44-D47 VanDerWaalsContact O-CB 3.3Å; H44-D47 WeakPolarHBondContact O-CB 3.42Å; H44-D47 PolarHBondContact O-N 3.06Å; D45-D47 VanDerWaalsContact C-N 3.28Å; D45-D47 PolarHBondContact O-N 2.94Å; D47-A49 VanDerWaalsContact C-N 3.29Å; D47-A49 PolarHBondContact O-N 3.3Å; D47-K50 HydrophobicContact CB-CB 4.3Å; D47-K50 HydrophobicContact CB-CD 4.34Å; D47-K50 HydrophobicContact CB-CG 4.48Å; D47-K50 PolarHBondContact O-N 3.25Å; D47-K50 PolarHBondContact OD1-N 3.07Å; D47-K50 WeakPolarHBondContact OD2-CD 3.44Å; D47-K50 WeakPolarHBondContact OD2-CE 3.49Å; D47-K50 WeakPolarHBondContact OD2-CG 3.1Å; D47-K50 IonicContact OD2-NZ 3.67Å; D47-K50 PolarHBondContact OD2-NZ 2.63Å; D47-T51 WeakPolarHBondContact O-CB 3.34Å; D47-T51 PolarHBondContact O-N 3.22Å; D47-T51 PolarHBondContact O-OG1 3.12Å
48	L	83.4	Confident	82.2	Confident	22 Å²	22	46 Å²	46	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-31.8	-171.7	-58	-176.3	0	0	0	112.5	L46 T51 V52 T102 F105	L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 HydrophobicContact CD2-CD2 4.28Å; L46-L48 WeakPolarHBondContact O-CG 3.37Å; L46-L48 PolarHBondContact O-N 3.44Å; L48-T51 PolarHBondContact O-N 2.71Å; L48-V52 WeakPolarHBondContact O-CB 3.32Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 2.66Å; L48-T102 HydrophobicContact CD1-CG2 3.95Å; L48-T102 WeakPolarHBondContact CD1-OG1 3.16Å; L48-F105 HydrophobicContact CB-CB 4.21Å; L48-F105 HydrophobicContact CD1-CB 4.24Å; L48-F105 HydrophobicContact CD1-CD1 4.44Å; L48-F105 HydrophobicContact CD1-CG 4.42Å; L48-F105 HydrophobicContact CD2-CB 4.37Å; L48-F105 HydrophobicContact CD2-CD1 3.97Å; L48-F105 HydrophobicContact CD2-CD2 4.01Å; L48-F105 HydrophobicContact CD2-CE1 4.24Å; L48-F105 HydrophobicContact CD2-CE2 4.28Å; L48-F105 HydrophobicContact CD2-CG 3.85Å; L48-F105 HydrophobicContact CD2-CZ 4.39Å; L48-F105 HydrophobicContact CG-CG 4.49Å
49	A	80.1	Confident	82	Confident	32 Å²	32	43.9 Å²	43.9	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-50.6	177.6	0	0	0	0	0	110.6	D47 T51 V52 Q53	D47-A49 VanDerWaalsContact C-N 3.29Å; D47-A49 PolarHBondContact O-N 3.3Å; A49-T51 VanDerWaalsContact C-N 3.35Å; A49-T51 PolarHBondContact O-N 3.08Å; A49-V52 PolarHBondContact O-N 2.81Å; A49-Q53 WeakPolarHBondContact O-CG 3.37Å; A49-Q53 PolarHBondContact O-N 3.23Å; A49-Q53 VanDerWaalsContact O-N 3.15Å
50	K	81.7	Confident	81.8	Confident	109 Å²	109	46.7 Å²	46.7	47%	0.474	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-43.1	175.1	-69.1	-174.8	-171.5	140.2	0	111.9	D47 V52 Q53 Q54	D47-K50 HydrophobicContact CB-CB 4.3Å; D47-K50 HydrophobicContact CB-CD 4.34Å; D47-K50 HydrophobicContact CB-CG 4.48Å; D47-K50 PolarHBondContact O-N 3.25Å; D47-K50 PolarHBondContact OD1-N 3.07Å; D47-K50 WeakPolarHBondContact OD2-CD 3.44Å; D47-K50 WeakPolarHBondContact OD2-CE 3.49Å; D47-K50 WeakPolarHBondContact OD2-CG 3.1Å; D47-K50 IonicContact OD2-NZ 3.67Å; D47-K50 PolarHBondContact OD2-NZ 2.63Å; K50-V52 PolarHBondContact O-N 3.38Å; K50-Q53 PolarHBondContact O-N 3.01Å; K50-Q54 WeakPolarHBondContact O-CG 3.23Å; K50-Q54 PolarHBondContact O-N 3.41Å
51	T	83.5	Confident	81.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-47.3	179.2	-54.7	0	0	0	0	111.2	A40 A41 D47 L48 A49 Q53 Q54 V55 F105	A40-T51 HydrophobicContact CB-CG2 4.16Å; A41-T51 HydrophobicContact CB-CG2 3.9Å; D47-T51 WeakPolarHBondContact O-CB 3.34Å; D47-T51 PolarHBondContact O-N 3.22Å; D47-T51 PolarHBondContact O-OG1 3.12Å; L48-T51 PolarHBondContact O-N 2.71Å; A49-T51 VanDerWaalsContact C-N 3.35Å; A49-T51 PolarHBondContact O-N 3.08Å; T51-Q53 VanDerWaalsContact C-N 3.32Å; T51-Q53 PolarHBondContact O-N 3.48Å; T51-Q54 PolarHBondContact O-N 3.09Å; T51-V55 HydrophobicContact CG2-CG2 4.08Å; T51-V55 VanDerWaalsContact O-CB 3.3Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 WeakPolarHBondContact O-CG2 3.4Å; T51-V55 PolarHBondContact O-N 3.19Å; T51-F105 HydrophobicContact CG2-CD2 4.46Å; T51-F105 HydrophobicContact CG2-CE2 4.09Å
52	V	83.4	Confident	81.1	Confident	16 Å²	16	58 Å²	58	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-38.2	179.1	170.5	0	0	0	0	111.5	L48 A49 K50 K56 F105	L48-V52 WeakPolarHBondContact O-CB 3.32Å; L48-V52 VanDerWaalsContact O-CG2 3.24Å; L48-V52 WeakPolarHBondContact O-CG2 3.43Å; L48-V52 PolarHBondContact O-N 2.66Å; A49-V52 PolarHBondContact O-N 2.81Å; K50-V52 PolarHBondContact O-N 3.38Å; V52-K56 HydrophobicContact CG1-CD 4.41Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.45Å; V52-K56 PolarHBondContact O-N 2.91Å; V52-F105 HydrophobicContact CG2-CB 3.99Å; V52-F105 HydrophobicContact CG2-CD2 4.19Å
53	Q	83.5	Confident	80.7	Confident	95 Å²	95	60.2 Å²	60.2	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-65.8	-46.4	175.4	-71.3	178.1	-6.3	0	0	112	A49 K50 T51 K56 K57	A49-Q53 WeakPolarHBondContact O-CG 3.37Å; A49-Q53 PolarHBondContact O-N 3.23Å; A49-Q53 VanDerWaalsContact O-N 3.15Å; K50-Q53 PolarHBondContact O-N 3.01Å; T51-Q53 VanDerWaalsContact C-N 3.32Å; T51-Q53 PolarHBondContact O-N 3.48Å; Q53-K56 WeakPolarHBondContact O-CB 3.42Å; Q53-K56 PolarHBondContact O-N 3.39Å; Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.23Å
54	Q	84.4	Confident	80.3	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.056	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-35.8	179.4	-67	-61.3	-12.1	0	0	112.4	K50 T51 K57 G58 I70	K50-Q54 WeakPolarHBondContact O-CG 3.23Å; K50-Q54 PolarHBondContact O-N 3.41Å; T51-Q54 PolarHBondContact O-N 3.09Å; Q54-K57 CarbonylContact O-C 3.53Å; Q54-K57 PolarHBondContact O-N 2.85Å; Q54-G58 PolarHBondContact O-N 3.18Å; Q54-I70 PolarHBondContact OE1-O 3.49Å
55	V	83.6	Confident	79.9	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-64.9	-39.6	172.6	169.5	0	0	0	0	111	L32 I37 T51 K57 G58 D59 A71	L32-V55 HydrophobicContact CD2-CG2 4.44Å; I37-V55 HydrophobicContact CD1-CG1 4.25Å; I37-V55 HydrophobicContact CG1-CG1 4.01Å; I37-V55 HydrophobicContact CG1-CG2 4.3Å; I37-V55 HydrophobicContact CG2-CG2 4.27Å; T51-V55 HydrophobicContact CG2-CG2 4.08Å; T51-V55 VanDerWaalsContact O-CB 3.3Å; T51-V55 WeakPolarHBondContact O-CB 3.43Å; T51-V55 WeakPolarHBondContact O-CG2 3.4Å; T51-V55 PolarHBondContact O-N 3.19Å; V55-K57 VanDerWaalsContact C-N 3.34Å; V55-G58 PolarHBondContact O-N 3.07Å; V55-D59 PolarHBondContact O-N 3.35Å; V55-A71 HydrophobicContact CG2-CB 4.48Å
56	K	83.2	Confident	79.7	Confident	132 Å²	132	63.6 Å²	63.6	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-63.6	-38.9	173.7	-78.2	176.3	-179.9	-177.9	0	112.1	V52 Q53	V52-K56 HydrophobicContact CG1-CD 4.41Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.45Å; V52-K56 PolarHBondContact O-N 2.91Å; Q53-K56 WeakPolarHBondContact O-CB 3.42Å; Q53-K56 PolarHBondContact O-N 3.39Å
57	K	83.7	Confident	79.8	Confident	112 Å²	112	60.6 Å²	60.6	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-36.2	172.5	-70.2	-178.4	179.7	-175.6	0	111.9	Q53 Q54 V55 T60 I61 I70	Q53-K57 WeakPolarHBondContact O-CG 3.31Å; Q53-K57 PolarHBondContact O-N 3.23Å; Q54-K57 CarbonylContact O-C 3.53Å; Q54-K57 PolarHBondContact O-N 2.85Å; V55-K57 VanDerWaalsContact C-N 3.34Å; K57-T60 PolarHBondContact O-N 2.8Å; K57-T60 PolarHBondContact O-OG1 3.49Å; K57-I61 WeakPolarHBondContact O-CD1 3.18Å; K57-I70 HydrophobicContact CB-CG2 4.23Å
58	G	80.1	Confident	79.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-51.3	173.4	0	0	0	0	0	111.7	Q54 V55 T60 I61 R67	Q54-G58 PolarHBondContact O-N 3.18Å; V55-G58 PolarHBondContact O-N 3.07Å; G58-T60 PolarHBondContact O-N 2.95Å; G58-I61 WeakPolarHBondContact O-CB 3.39Å; G58-I61 PolarHBondContact O-N 3.4Å; G58-R67 VanDerWaalsContact O-CG 3.26Å; G58-R67 WeakPolarHBondContact O-CG 3.41Å
59	D	79	Confident	79.5	Confident	37 Å²	37	60.4 Å²	60.4	20%	0.198	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.8	-177.4	-78.3	-20.2	0	0	0	114.2	L32 V55 K108	L32-D59 VanDerWaalsContact CD1-OD1 3.25Å; L32-D59 WeakPolarHBondContact CD1-OD1 3.49Å; L32-D59 PolarHBondContact N-OD1 3.16Å; V55-D59 PolarHBondContact O-N 3.35Å; D59-K108 WeakPolarHBondContact OD2-CE 3.49Å; D59-K108 IonicContact OD2-NZ 2.97Å; D59-K108 PolarHBondContact OD2-NZ 2.97Å
60	T	78.6	Confident	79.5	Confident	114 Å²	114	61.8 Å²	61.8	70%	0.699	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.7	174.7	60.6	0	0	0	0	113.4	K57 G58	K57-T60 PolarHBondContact O-N 2.8Å; K57-T60 PolarHBondContact O-OG1 3.49Å; G58-T60 PolarHBondContact O-N 2.95Å
61	I	79.9	Confident	79.4	Confident	38 Å²	38	56.6 Å²	56.6	20%	0.195	29%	0.286	C	S	.	.			trans	-89	133.8	-176.9	-62.5	152.6	0	0	0	109.8	K57 G58 S66 R67 I70	K57-I61 WeakPolarHBondContact O-CD1 3.18Å; G58-I61 WeakPolarHBondContact O-CB 3.39Å; G58-I61 PolarHBondContact O-N 3.4Å; I61-S66 VanDerWaalsContact CG2-OG 3.23Å; I61-S66 WeakPolarHBondContact CG2-OG 3.41Å; I61-R67 HydrophobicContact CB-CB 4.13Å; I61-R67 HydrophobicContact CG2-CB 4.24Å; I61-I70 HydrophobicContact CD1-CB 3.81Å; I61-I70 HydrophobicContact CD1-CD1 3.26Å; I61-I70 HydrophobicContact CD1-CG1 4.01Å; I61-I70 HydrophobicContact CD1-CG2 3.94Å; I61-I70 HydrophobicContact CG1-CD1 4.41Å
62	K	73.3	Confident	79.1	Confident	201 Å²	201	57.1 Å²	57.1	87%	0.874	29%	0.29	S	S	*	.	S	Bend	trans	-79.1	-35.3	-178.4	-67.3	-176.7	179.2	177	0	113.2
63	D	73.8	Confident	78.7	Confident	81 Å²	81	57.8 Å²	57.8	43%	0.433	30%	0.295	S	S	.	.	S	Bend	trans	-79.9	124.7	-176.7	168.3	67.9	0	0	0	110.3	D65 S66 R67	D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 2.94Å; D63-S66 WeakPolarHBondContact CB-OG 3.48Å; D63-S66 VanDerWaalsContact CG-OG 3.32Å; D63-S66 PolarHBondContact O-OG 3.44Å; D63-S66 VanDerWaalsContact O-OG 3.13Å; D63-S66 VanDerWaalsContact OD2-CB 3.24Å; D63-S66 WeakPolarHBondContact OD2-CB 2.94Å; D63-S66 PolarHBondContact OD2-N 2.91Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; D63-R67 WeakPolarHBondContact O-CB 3.23Å; D63-R67 PolarHBondContact O-N 2.61Å
64	P	71.8	Confident	77.9	Confident	64 Å²	64	59.1 Å²	59.1	42%	0.416	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-36.8	-170.8	24	-35.2	0	0	0	113.3	A68	P64-A68 PolarHBondContact O-N 3.14Å; P64-A68 VanDerWaalsContact O-N 3.1Å
65	D	70.3	Confident	76.6	Confident	92 Å²	92	62.7 Å²	62.7	49%	0.492	33%	0.325	S	S	.	.	H	α-helix	trans	-72.3	-47.5	-176.1	-68.9	-5.5	0	0	0	110.3	D63 A68 L69	D63-D65 VanDerWaalsContact C-N 3.34Å; D63-D65 PolarHBondContact O-N 2.94Å; D65-A68 PolarHBondContact O-N 2.93Å; D65-L69 VanDerWaalsContact O-CB 3.29Å; D65-L69 WeakPolarHBondContact O-CB 3.42Å; D65-L69 PolarHBondContact O-N 2.7Å
66	S	76.3	Confident	75	Confident	35 Å²	35	71.7 Å²	71.7	25%	0.245	37%	0.367	C	S	.	.	H	α-helix	trans	-66.8	-35.2	174.7	53.6	0	0	0	0	112.9	I61 D63 L69 I70	I61-S66 VanDerWaalsContact CG2-OG 3.23Å; I61-S66 WeakPolarHBondContact CG2-OG 3.41Å; D63-S66 WeakPolarHBondContact CB-OG 3.48Å; D63-S66 VanDerWaalsContact CG-OG 3.32Å; D63-S66 PolarHBondContact O-OG 3.44Å; D63-S66 VanDerWaalsContact O-OG 3.13Å; D63-S66 VanDerWaalsContact OD2-CB 3.24Å; D63-S66 WeakPolarHBondContact OD2-CB 2.94Å; D63-S66 PolarHBondContact OD2-N 2.91Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; S66-L69 PolarHBondContact O-N 3.03Å; S66-I70 WeakPolarHBondContact O-CB 3.43Å; S66-I70 WeakPolarHBondContact O-CG1 3.49Å; S66-I70 PolarHBondContact O-N 2.93Å
67	R	81.3	Confident	72.9	Confident	24 Å²	24	69.6 Å²	69.6	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-48.8	172.7	168	172.6	70.1	-169.6	-0.4	112.1	D30 L32 G58 I61 D63 A71	D30-R67 PolarHBondContact O-NH1 3.31Å; L32-R67 HydrophobicContact CD1-CG 3.43Å; L32-R67 VanDerWaalsContact CD1-CG 3.43Å; L32-R67 HydrophobicContact CG-CG 4.04Å; G58-R67 VanDerWaalsContact O-CG 3.26Å; G58-R67 WeakPolarHBondContact O-CG 3.41Å; I61-R67 HydrophobicContact CB-CB 4.13Å; I61-R67 HydrophobicContact CG2-CB 4.24Å; D63-R67 WeakPolarHBondContact O-CB 3.23Å; D63-R67 PolarHBondContact O-N 2.61Å; R67-A71 PolarHBondContact O-N 3.41Å
68	A	77.9	Confident	70.4	Confident	5 Å²	5	76 Å²	76	4%	0.041	40%	0.396	C	S	.	.	H	α-helix	trans	-69.7	-38.7	178.9	0	0	0	0	0	111.6	P64 D65 A71 V72 P626	P64-A68 PolarHBondContact O-N 3.14Å; P64-A68 VanDerWaalsContact O-N 3.1Å; D65-A68 PolarHBondContact O-N 2.93Å; A68-A71 PolarHBondContact O-N 3.28Å; A68-V72 WeakPolarHBondContact O-CG2 3.48Å; A68-V72 PolarHBondContact O-N 3.44Å; A68-P626 HydrophobicContact CB-CG 3.85Å
69	L	79.9	Confident	68.1	Low	69 Å²	69	84.9 Å²	84.9	36%	0.361	44%	0.435	S	S	.	.	H	α-helix	trans	-62.7	-45.1	178.1	-175.9	69.6	0	0	0	111.9	D65 S66 A71 V72 S73 P626	D65-L69 VanDerWaalsContact O-CB 3.29Å; D65-L69 WeakPolarHBondContact O-CB 3.42Å; D65-L69 PolarHBondContact O-N 2.7Å; S66-L69 PolarHBondContact O-N 3.03Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.26Å; L69-V72 PolarHBondContact O-N 3.21Å; L69-V72 VanDerWaalsContact O-N 3.13Å; L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 3.17Å; L69-S73 PolarHBondContact O-OG 3.31Å; L69-P626 HydrophobicContact CB-CB 4.4Å; L69-P626 HydrophobicContact CB-CG 3.97Å; L69-P626 HydrophobicContact CD1-CB 3.98Å; L69-P626 HydrophobicContact CD1-CG 4.34Å
70	I	81	Confident	65.8	Low	60 Å²	60	89.7 Å²	89.7	31%	0.308	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-36.7	-178.6	-77.7	173.8	0	0	0	111.7	Q54 K57 I61 S66 V72 S73	Q54-I70 PolarHBondContact OE1-O 3.49Å; K57-I70 HydrophobicContact CB-CG2 4.23Å; I61-I70 HydrophobicContact CD1-CB 3.81Å; I61-I70 HydrophobicContact CD1-CD1 3.26Å; I61-I70 HydrophobicContact CD1-CG1 4.01Å; I61-I70 HydrophobicContact CD1-CG2 3.94Å; I61-I70 HydrophobicContact CG1-CD1 4.41Å; S66-I70 WeakPolarHBondContact O-CB 3.43Å; S66-I70 WeakPolarHBondContact O-CG1 3.49Å; S66-I70 PolarHBondContact O-N 2.93Å; I70-V72 PolarHBondContact O-N 2.83Å; I70-S73 WeakPolarHBondContact CA-OG 3.38Å; I70-S73 PolarHBondContact O-N 3.41Å; I70-S73 PolarHBondContact O-OG 3.24Å
71	A	78	Confident	63.8	Low	0 Å²	0	88.1 Å²	88.1	0%	0	48%	0.475	C	S	.	.	H	α-helix	trans	-61.2	-28.4	175.3	0	0	0	0	0	113.4	L32 A40 H44 V55 R67 A68 L69	L32-A71 HydrophobicContact CD2-CB 3.35Å; A40-A71 HydrophobicContact CB-CB 4.16Å; H44-A71 PolarHBondContact NE2-O 2.8Å; V55-A71 HydrophobicContact CG2-CB 4.48Å; R67-A71 PolarHBondContact O-N 3.41Å; A68-A71 PolarHBondContact O-N 3.28Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.26Å
72	V	77.7	Confident	61.7	Low	12 Å²	12	89.6 Å²	89.6	7%	0.073	50%	0.499	C	S	.	.	H	α-helix	trans	-96.3	-25.1	-177.9	-179.6	0	0	0	0	112.2	Y39 A40 A43 H44 A68 L69 I70 P628	Y39-V72 HydrophobicContact CD1-CG2 3.69Å; Y39-V72 HydrophobicContact CE1-CG1 4.24Å; Y39-V72 HydrophobicContact CE1-CG2 3.7Å; A40-V72 HydrophobicContact CB-CG2 4.28Å; A43-V72 HydrophobicContact CB-CG1 3.72Å; H44-V72 PolarHBondContact CE1-O 3.03Å; A68-V72 WeakPolarHBondContact O-CG2 3.48Å; A68-V72 PolarHBondContact O-N 3.44Å; L69-V72 PolarHBondContact O-N 3.21Å; L69-V72 VanDerWaalsContact O-N 3.13Å; I70-V72 PolarHBondContact O-N 2.83Å; V72-P628 HydrophobicContact CG1-CG 4.34Å
73	S	75.5	Confident	59.8	Low	29 Å²	29	86.9 Å²	86.9	20%	0.203	50%	0.499	C	S	.	.	S	Bend	trans	-72.2	149.2	-179.9	65.1	0	0	0	0	113.3	L69 I70	L69-S73 WeakPolarHBondContact O-CB 3.21Å; L69-S73 PolarHBondContact O-N 3.17Å; L69-S73 PolarHBondContact O-OG 3.31Å; I70-S73 WeakPolarHBondContact CA-OG 3.38Å; I70-S73 PolarHBondContact O-N 3.41Å; I70-S73 PolarHBondContact O-OG 3.24Å
74	E	67.4	Low	57.7	Low	123 Å²	123	92 Å²	92	58%	0.575	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-75.2	148.5	167.5	-69.6	-173.3	159.9	0	0	110.5	E76	E74-E76 PolarHBondContact O-N 3.5Å
75	P	55.8	Low	55.9	Low	87 Å²	87	98 Å²	98	57%	0.565	54%	0.543	S	S	*	.	S	Bend	trans	-59.7	131.5	168.2	26.7	-30.7	0	0	0	108.8	A77	P75-A77 PolarHBondContact O-N 3.02Å
76	E	50.9	Low	53.9	Low	190 Å²	190	100.2 Å²	100.2	89%	0.888	56%	0.56	S	S	*	*			trans	-29.6	112	-167.3	-63.6	-171.1	152.6	0	0	115.7	E74 R78	E74-E76 PolarHBondContact O-N 3.5Å; E76-R78 PolarHBondContact O-N 3.19Å; E76-R78 VanDerWaalsContact O-N 3.12Å
77	A	37.8	Very low	51.9	Low	89 Å²	89	106.4 Å²	106.4	74%	0.736	59%	0.591	S	S	*	*			trans	-68.7	105.9	161.7	0	0	0	0	0	108.7	P75 K79	P75-A77 PolarHBondContact O-N 3.02Å; A77-K79 PolarHBondContact O-N 2.97Å
78	R	31.1	Very low	49.4	Very low	245 Å²	245	108.3 Å²	108.3	93%	0.925	62%	0.617	S	S	*	*			trans	-25.4	122.9	172.7	-81.2	176.1	169.8	169.9	-3.6	113.4	E76	E76-R78 PolarHBondContact O-N 3.19Å; E76-R78 VanDerWaalsContact O-N 3.12Å
79	K	33.6	Very low	47.1	Very low	188 Å²	188	115.8 Å²	115.8	82%	0.817	66%	0.657	S	S	*	*			trans	-56.9	134.6	162.2	-73.6	178.9	179.9	172.3	0	109.2	A77 G81	A77-K79 PolarHBondContact O-N 2.97Å; K79-G81 PolarHBondContact O-N 2.88Å
80	P	30.9	Very low	44.9	Very low	138 Å²	138	121.6 Å²	121.6	90%	0.896	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	101.9	170.4	29.4	-29.2	0	0	0	108
81	G	36.2	Very low	42.7	Very low	81 Å²	81	127.1 Å²	127.1	84%	0.835	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	136.5	16.1	170.9	0	0	0	0	0	118.4	K79	K79-G81 PolarHBondContact O-N 2.88Å
82	G	34.5	Very low	40.7	Very low	68 Å²	68	136.2 Å²	136.2	70%	0.701	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-102.4	122.5	172.4	0	0	0	0	0	111.8
83	T	33.6	Very low	38.8	Very low	145 Å²	145	143.3 Å²	143.3	89%	0.89	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-57.9	143.1	179.3	-24	0	0	0	0	112.2	E85	T83-E85 PolarHBondContact O-N 2.83Å
84	E	29.2	Very low	37.4	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.3	118.5	-177.2	-63.2	169	155.2	0	0	112.5
85	E	34.7	Very low	36.4	Very low	191 Å²	191	151 Å²	151	89%	0.893	83%	0.825	S	S	*	*			trans	-115.5	108.3	149	-80.9	-174.8	168.4	0	0	107.5	T83 D87	T83-E85 PolarHBondContact O-N 2.83Å; E85-D87 PolarHBondContact O-N 3.25Å
86	T	29.5	Very low	36.4	Very low	139 Å²	139	148.9 Å²	148.9	85%	0.853	81%	0.809	S	S	*	*			trans	-60.7	100.1	167.4	23	0	0	0	0	110.3
87	D	34.2	Very low	37.3	Very low	165 Å²	165	142.8 Å²	142.8	88%	0.882	79%	0.787	S	S	*	*			trans	-103.4	118.6	151.7	-89.8	-24.4	0	0	0	107.8	E85	E85-D87 PolarHBondContact O-N 3.25Å
88	G	28.7	Very low	39.1	Very low	63 Å²	63	147.3 Å²	147.3	65%	0.649	79%	0.79	S	S	*	*			trans	-80.1	159.2	-174	0	0	0	0	0	114.3
89	D	29.7	Very low	41.5	Very low	162 Å²	162	141 Å²	141	87%	0.866	78%	0.779	S	S	*	*			trans	64.9	66.6	146.6	-57.2	-20.2	0	0	0	119.4
90	E	33.4	Very low	43.9	Very low	191 Å²	191	136.1 Å²	136.1	89%	0.893	76%	0.759	S	S	*	*			trans	-141.3	7.8	154.8	-72.5	-161.4	170.9	0	0	116.3
91	D	35.4	Very low	46.2	Very low	176 Å²	176	130.1 Å²	130.1	94%	0.941	72%	0.72	S	S	*	*	S	Bend	trans	-94.7	8.8	-170.4	-85.9	-28.8	0	0	0	116.9
92	E	34.5	Very low	48.4	Very low	191 Å²	191	129 Å²	129	89%	0.893	70%	0.697	S	S	*	*	S	Bend	trans	-101.1	-10.5	-172.7	-76.6	-155.1	145.9	0	0	118.1
93	D	37.8	Very low	50.9	Low	162 Å²	162	128.3 Å²	128.3	87%	0.866	69%	0.685	S	S	*	*	S	Bend	trans	-113	30.3	-159.9	-90.4	-14	0	0	0	118.3
94	N	45.9	Very low	53.5	Low	99 Å²	99	124.9 Å²	124.9	53%	0.529	66%	0.657	S	S	.	*			trans	-140.9	56.3	176.7	-134.3	-14.1	0	0	0	116.5	D96	N94-D96 PolarHBondContact O-N 3.43Å; N94-D96 PolarHBondContact OD1-OD1 2.89Å; N94-D96 PolarHBondContact OD1-OD2 2.91Å
95	K	47	Very low	56.2	Low	215 Å²	215	116.8 Å²	116.8	94%	0.935	62%	0.619	S	S	*	*			trans	-77.4	58.6	154.7	-78.7	-179.2	-178.2	164.7	0	110.2	S97	K95-S97 PolarHBondContact O-N 3.45Å
96	D	56.8	Low	58.6	Low	41 Å²	41	111.8 Å²	111.8	22%	0.219	60%	0.598	C	S	.	*			trans	-51.4	128.8	163.4	-92.1	-17	0	0	0	107.6	N94 K98 K104	N94-D96 PolarHBondContact O-N 3.43Å; N94-D96 PolarHBondContact OD1-OD1 2.89Å; N94-D96 PolarHBondContact OD1-OD2 2.91Å; D96-K98 PolarHBondContact O-N 3.49Å; D96-K104 IonicContact OD1-NZ 2.57Å; D96-K104 PolarHBondContact OD1-NZ 2.9Å; D96-K104 IonicContact OD2-NZ 3.22Å; D96-K104 PolarHBondContact OD2-NZ 3.17Å
97	S	69.8	Low	61.4	Low	62 Å²	62	111.8 Å²	111.8	43%	0.434	59%	0.588	S	S	.	*			trans	-56.1	145.9	176.7	73.5	0	0	0	0	109.5	K95 V99 E100 S101	K95-S97 PolarHBondContact O-N 3.45Å; S97-V99 PolarHBondContact O-N 3.01Å; S97-E100 PolarHBondContact O-N 2.96Å; S97-E100 VanDerWaalsContact OG-CB 3.29Å; S97-E100 WeakPolarHBondContact OG-CB 3.45Å; S97-E100 PolarHBondContact OG-N 2.94Å; S97-E100 VanDerWaalsContact OG-N 3.09Å; S97-S101 PolarHBondContact O-N 3.43Å; S97-S101 PolarHBondContact O-OG 3.13Å
98	K	75.1	Confident	63.9	Low	184 Å²	184	106.5 Å²	106.5	80%	0.8	56%	0.557	S	S	*	*	H	α-helix	trans	-51.3	-32.5	175.8	-74.5	-174.5	176.9	-177.7	0	112.1	D96 S101 T102	D96-K98 PolarHBondContact O-N 3.49Å; K98-S101 WeakPolarHBondContact CA-OG 3.44Å; K98-S101 PolarHBondContact O-OG 3.04Å; K98-S101 VanDerWaalsContact O-OG 3.05Å; K98-T102 WeakPolarHBondContact O-CB 3.1Å; K98-T102 PolarHBondContact O-N 3.07Å; K98-T102 VanDerWaalsContact O-N 3.08Å; K98-T102 PolarHBondContact O-OG1 3.18Å
99	V	80.2	Confident	66.6	Low	114 Å²	114	105.2 Å²	105.2	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-68.8	-43.9	177	-178	0	0	0	0	111.1	S97 T102 A103	S97-V99 PolarHBondContact O-N 3.01Å; V99-T102 PolarHBondContact O-N 3.01Å; V99-A103 WeakPolarHBondContact O-CB 3.33Å; V99-A103 PolarHBondContact O-N 3.48Å
100	E	84.2	Confident	69.3	Low	85 Å²	85	102 Å²	102	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-43.9	179.5	-175.1	174.3	175.6	0	0	112.5	S97 T102 A103 K104	S97-E100 PolarHBondContact O-N 2.96Å; S97-E100 VanDerWaalsContact OG-CB 3.29Å; S97-E100 WeakPolarHBondContact OG-CB 3.45Å; S97-E100 PolarHBondContact OG-N 2.94Å; S97-E100 VanDerWaalsContact OG-N 3.09Å; E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.36Å; E100-A103 PolarHBondContact O-N 2.9Å; E100-K104 HydrophobicContact CG-CD 4.1Å; E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 3.33Å; E100-K104 WeakPolarHBondContact OE1-CE 3.11Å; E100-K104 IonicContact OE1-NZ 3.32Å; E100-K104 PolarHBondContact OE1-NZ 2.93Å
101	S	80.3	Confident	71.8	Confident	12 Å²	12	94.7 Å²	94.7	8%	0.084	49%	0.489	C	S	.	.	H	α-helix	trans	-62.1	-37.5	173.4	50.8	0	0	0	0	112	S97 K98 F105	S97-S101 PolarHBondContact O-N 3.43Å; S97-S101 PolarHBondContact O-OG 3.13Å; K98-S101 WeakPolarHBondContact CA-OG 3.44Å; K98-S101 PolarHBondContact O-OG 3.04Å; K98-S101 VanDerWaalsContact O-OG 3.05Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 3.21Å
102	T	82.4	Confident	74.1	Confident	56 Å²	56	86.6 Å²	86.6	34%	0.344	45%	0.446	S	S	.	.	H	α-helix	trans	-64.8	-45.1	172.9	-54.4	0	0	0	0	112.3	L48 K98 V99 E100 F105 I106	L48-T102 HydrophobicContact CD1-CG2 3.95Å; L48-T102 WeakPolarHBondContact CD1-OG1 3.16Å; K98-T102 WeakPolarHBondContact O-CB 3.1Å; K98-T102 PolarHBondContact O-N 3.07Å; K98-T102 VanDerWaalsContact O-N 3.08Å; K98-T102 PolarHBondContact O-OG1 3.18Å; V99-T102 PolarHBondContact O-N 3.01Å; E100-T102 VanDerWaalsContact C-N 3.29Å; E100-T102 PolarHBondContact O-N 3.36Å; T102-F105 PolarHBondContact O-N 3.39Å; T102-I106 HydrophobicContact CG2-CD1 3.91Å; T102-I106 HydrophobicContact CG2-CG1 4.47Å; T102-I106 WeakPolarHBondContact O-CG1 3.49Å; T102-I106 PolarHBondContact O-N 3.23Å
103	A	86.7	Confident	76.5	Confident	54 Å²	54	79.6 Å²	79.6	45%	0.446	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-45.2	177.7	0	0	0	0	0	111.6	V99 E100 F105 I106 Q107	V99-A103 WeakPolarHBondContact O-CB 3.33Å; V99-A103 PolarHBondContact O-N 3.48Å; E100-A103 PolarHBondContact O-N 2.9Å; A103-F105 VanDerWaalsContact C-N 3.31Å; A103-F105 PolarHBondContact O-N 3.43Å; A103-I106 PolarHBondContact O-N 3.4Å; A103-Q107 VanDerWaalsContact O-CB 3.27Å; A103-Q107 WeakPolarHBondContact O-CB 3.41Å; A103-Q107 PolarHBondContact O-N 3.06Å
104	K	87.1	Confident	78.8	Confident	73 Å²	73	74.7 Å²	74.7	32%	0.317	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-41.7	174.8	-75.6	170.8	178.3	166.2	0	111.3	D96 E100 K108	D96-K104 IonicContact OD1-NZ 2.57Å; D96-K104 PolarHBondContact OD1-NZ 2.9Å; D96-K104 IonicContact OD2-NZ 3.22Å; D96-K104 PolarHBondContact OD2-NZ 3.17Å; E100-K104 HydrophobicContact CG-CD 4.1Å; E100-K104 WeakPolarHBondContact O-CB 3.36Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 3.33Å; E100-K104 WeakPolarHBondContact OE1-CE 3.11Å; E100-K104 IonicContact OE1-NZ 3.32Å; E100-K104 PolarHBondContact OE1-NZ 2.93Å; K104-K108 WeakPolarHBondContact O-CB 3.38Å; K104-K108 PolarHBondContact O-N 2.63Å
105	F	86.4	Confident	80.6	Confident	17 Å²	17	70.2 Å²	70.2	8%	0.075	37%	0.371	C	S	.	.	H	α-helix	trans	-64.8	-49.8	175.7	178.6	-98	0	0	0	112.7	I37 A41 L48 T51 V52 S101 T102 A103 Q107 K108 M109	I37-F105 HydrophobicContact CG2-CD2 4.42Å; I37-F105 HydrophobicContact CG2-CE2 3.64Å; I37-F105 HydrophobicContact CG2-CZ 4.18Å; A41-F105 HydrophobicContact CB-CE2 3.77Å; A41-F105 HydrophobicContact CB-CZ 3.73Å; L48-F105 HydrophobicContact CB-CB 4.21Å; L48-F105 HydrophobicContact CD1-CB 4.24Å; L48-F105 HydrophobicContact CD1-CD1 4.44Å; L48-F105 HydrophobicContact CD1-CG 4.42Å; L48-F105 HydrophobicContact CD2-CB 4.37Å; L48-F105 HydrophobicContact CD2-CD1 3.97Å; L48-F105 HydrophobicContact CD2-CD2 4.01Å; L48-F105 HydrophobicContact CD2-CE1 4.24Å; L48-F105 HydrophobicContact CD2-CE2 4.28Å; L48-F105 HydrophobicContact CD2-CG 3.85Å; L48-F105 HydrophobicContact CD2-CZ 4.39Å; L48-F105 HydrophobicContact CG-CG 4.49Å; T51-F105 HydrophobicContact CG2-CD2 4.46Å; T51-F105 HydrophobicContact CG2-CE2 4.09Å; V52-F105 HydrophobicContact CG2-CB 3.99Å; V52-F105 HydrophobicContact CG2-CD2 4.19Å; S101-F105 WeakPolarHBondContact O-CB 3.49Å; S101-F105 PolarHBondContact O-N 3.21Å; T102-F105 PolarHBondContact O-N 3.39Å; A103-F105 VanDerWaalsContact C-N 3.31Å; A103-F105 PolarHBondContact O-N 3.43Å; F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 3.3Å; F105-K108 PolarHBondContact O-N 3.07Å; F105-M109 HydrophobicContact CD1-CG 4.27Å; F105-M109 HydrophobicContact CE1-CG 3.86Å; F105-M109 HydrophobicContact CE2-CG 4.38Å; F105-M109 HydrophobicContact CZ-CG 3.92Å; F105-M109 HydrophobicContact CZ-SD 4.29Å; F105-M109 WeakPolarHBondContact O-CG 3.44Å; F105-M109 PolarHBondContact O-N 3.29Å
106	I	86.5	Confident	82.3	Confident	87 Å²	87	62.7 Å²	62.7	45%	0.446	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-43.2	178	-68.6	170.2	0	0	0	110.8	T102 A103 K108 M109 I110	T102-I106 HydrophobicContact CG2-CD1 3.91Å; T102-I106 HydrophobicContact CG2-CG1 4.47Å; T102-I106 WeakPolarHBondContact O-CG1 3.49Å; T102-I106 PolarHBondContact O-N 3.23Å; A103-I106 PolarHBondContact O-N 3.4Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.25Å; I106-M109 WeakPolarHBondContact O-CB 3.42Å; I106-M109 PolarHBondContact O-N 3.06Å; I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.3Å; I106-I110 WeakPolarHBondContact O-CG1 3.24Å; I106-I110 PolarHBondContact O-N 3.36Å
107	Q	87.9	Confident	83.6	Confident	138 Å²	138	63.4 Å²	63.4	65%	0.645	35%	0.348	S	S	*	.	H	α-helix	trans	-59.9	-44.7	176.7	-177.3	-177.2	-3.7	0	0	111.4	A103 F105 I110 A111	A103-Q107 VanDerWaalsContact O-CB 3.27Å; A103-Q107 WeakPolarHBondContact O-CB 3.41Å; A103-Q107 PolarHBondContact O-N 3.06Å; F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 3.3Å; Q107-I110 PolarHBondContact O-N 3.02Å; Q107-A111 VanDerWaalsContact O-CB 3.31Å; Q107-A111 WeakPolarHBondContact O-CB 3.44Å; Q107-A111 PolarHBondContact O-N 2.99Å
108	K	86	Confident	84.4	Confident	54 Å²	54	60.4 Å²	60.4	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-42.4	176.6	-177.7	64.3	176	-177.2	0	111.7	I37 D59 K104 F105 I106 A111 S112	I37-K108 HydrophobicContact CD1-CG 4.46Å; D59-K108 WeakPolarHBondContact OD2-CE 3.49Å; D59-K108 IonicContact OD2-NZ 2.97Å; D59-K108 PolarHBondContact OD2-NZ 2.97Å; K104-K108 WeakPolarHBondContact O-CB 3.38Å; K104-K108 PolarHBondContact O-N 2.63Å; F105-K108 PolarHBondContact O-N 3.07Å; I106-K108 VanDerWaalsContact C-N 3.34Å; I106-K108 PolarHBondContact O-N 3.25Å; K108-A111 PolarHBondContact O-N 3.2Å; K108-S112 VanDerWaalsContact O-CB 3.25Å; K108-S112 WeakPolarHBondContact O-CB 3.49Å; K108-S112 PolarHBondContact O-N 3.38Å
109	M	85.6	Confident	84.7	Confident	36 Å²	36	52.8 Å²	52.8	18%	0.177	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-48.4	175.5	-79.6	-67.7	-62.7	0	0	112.4	P34 I37 M38 F105 I106 S112 A113	P34-M109 HydrophobicContact CB-CE 3.77Å; P34-M109 HydrophobicContact CB-SD 4.32Å; P34-M109 WeakPolarHBondContact O-CE 3.16Å; I37-M109 HydrophobicContact CB-SD 3.75Å; I37-M109 HydrophobicContact CD1-SD 4.45Å; I37-M109 HydrophobicContact CG2-CG 4.22Å; I37-M109 HydrophobicContact CG2-SD 3.49Å; I37-M109 WeakPolarHBondContact CG2-SD 3.41Å; M38-M109 HydrophobicContact CE-CE 4.1Å; F105-M109 HydrophobicContact CD1-CG 4.27Å; F105-M109 HydrophobicContact CE1-CG 3.86Å; F105-M109 HydrophobicContact CE2-CG 4.38Å; F105-M109 HydrophobicContact CZ-CG 3.92Å; F105-M109 HydrophobicContact CZ-SD 4.29Å; F105-M109 WeakPolarHBondContact O-CG 3.44Å; F105-M109 PolarHBondContact O-N 3.29Å; I106-M109 WeakPolarHBondContact O-CB 3.42Å; I106-M109 PolarHBondContact O-N 3.06Å; M109-S112 PolarHBondContact O-N 3.28Å; M109-A113 WeakPolarHBondContact O-CB 3.46Å; M109-A113 PolarHBondContact O-N 3.08Å
110	I	86.2	Confident	84.7	Confident	96 Å²	96	50.7 Å²	50.7	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-44.4	178.7	-67.6	170.7	0	0	0	110.5	I106 Q107 S112 A113 L114	I106-I110 HydrophobicContact CG2-CD1 3.7Å; I106-I110 HydrophobicContact CG2-CG1 4.3Å; I106-I110 WeakPolarHBondContact O-CG1 3.24Å; I106-I110 PolarHBondContact O-N 3.36Å; Q107-I110 PolarHBondContact O-N 3.02Å; I110-S112 PolarHBondContact O-N 3.43Å; I110-A113 PolarHBondContact O-N 3.22Å; I110-L114 HydrophobicContact CG2-CD1 3.81Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 VanDerWaalsContact O-CG 3.27Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 3.5Å
111	A	85.5	Confident	84.7	Confident	37 Å²	37	48.5 Å²	48.5	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-44.4	178.1	0	0	0	0	0	111.9	Q107 K108 L114 D115	Q107-A111 VanDerWaalsContact O-CB 3.31Å; Q107-A111 WeakPolarHBondContact O-CB 3.44Å; Q107-A111 PolarHBondContact O-N 2.99Å; K108-A111 PolarHBondContact O-N 3.2Å; A111-L114 PolarHBondContact O-N 3.31Å; A111-D115 WeakPolarHBondContact O-CB 3.38Å; A111-D115 PolarHBondContact O-N 3.43Å
112	S	83.7	Confident	84.8	Confident	5 Å²	5	48 Å²	48	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-44.2	175.7	167.9	0	0	0	0	111.7	Y29 L32 P34 K108 M109 I110 D115 L116	Y29-S112 VanDerWaalsContact OH-CA 3.32Å; Y29-S112 WeakPolarHBondContact OH-CA 3.35Å; Y29-S112 WeakPolarHBondContact OH-CB 3.29Å; Y29-S112 PolarHBondContact OH-O 3.03Å; Y29-S112 PolarHBondContact OH-OG 3.31Å; L32-S112 PolarHBondContact O-OG 2.76Å; P34-S112 VanDerWaalsContact CD-OG 3.29Å; P34-S112 WeakPolarHBondContact CD-OG 3.27Å; P34-S112 WeakPolarHBondContact CG-OG 3.4Å; K108-S112 VanDerWaalsContact O-CB 3.25Å; K108-S112 WeakPolarHBondContact O-CB 3.49Å; K108-S112 PolarHBondContact O-N 3.38Å; M109-S112 PolarHBondContact O-N 3.28Å; I110-S112 PolarHBondContact O-N 3.43Å; S112-D115 PolarHBondContact O-N 3.27Å; S112-L116 WeakPolarHBondContact O-CB 3.45Å; S112-L116 PolarHBondContact O-N 3.25Å
113	A	85.2	Confident	84.6	Confident	44 Å²	44	49.3 Å²	49.3	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-41.4	177.7	0	0	0	0	0	113.3	P34 M109 I110 L116 C117	P34-A113 HydrophobicContact CG-CB 4.12Å; M109-A113 WeakPolarHBondContact O-CB 3.46Å; M109-A113 PolarHBondContact O-N 3.08Å; I110-A113 PolarHBondContact O-N 3.22Å; A113-L116 PolarHBondContact O-N 3.03Å; A113-C117 WeakPolarHBondContact O-CB 3.48Å; A113-C117 PolarHBondContact O-N 3.12Å
114	L	86.3	Confident	84.1	Confident	59 Å²	59	52 Å²	52	31%	0.309	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-42.8	175.4	-71.4	173.5	0	0	0	111.3	I110 A111 C117 S118 L198	I110-L114 HydrophobicContact CG2-CD1 3.81Å; I110-L114 HydrophobicContact CG2-CG 4.19Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 VanDerWaalsContact O-CG 3.27Å; I110-L114 WeakPolarHBondContact O-CG 3.45Å; I110-L114 PolarHBondContact O-N 3.5Å; A111-L114 PolarHBondContact O-N 3.31Å; L114-C117 PolarHBondContact O-N 3.09Å; L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.31Å; L114-S118 PolarHBondContact O-N 3.34Å; L114-S118 PolarHBondContact O-OG 3.38Å; L114-L198 HydrophobicContact CD2-CD2 3.6Å
115	D	83.6	Confident	83.9	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.032	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-46.5	176.4	-79.6	-16	0	0	0	110.4	Y29 R31 A111 S112 C117 S118 V119 S194 R197	Y29-D115 HydrophobicContact CE2-CB 3.98Å; R31-D115 IonicContact CZ-OD2 3.12Å; R31-D115 IonicContact NH1-OD2 3.01Å; R31-D115 PolarHBondContact NH1-OD2 3.38Å; A111-D115 WeakPolarHBondContact O-CB 3.38Å; A111-D115 PolarHBondContact O-N 3.43Å; S112-D115 PolarHBondContact O-N 3.27Å; D115-C117 PolarHBondContact O-N 2.96Å; D115-S118 WeakPolarHBondContact CA-OG 3.31Å; D115-S118 PolarHBondContact O-N 3.45Å; D115-S118 VanDerWaalsContact O-N 3.14Å; D115-S118 PolarHBondContact O-OG 3.13Å; D115-V119 VanDerWaalsContact O-CG2 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.47Å; D115-V119 PolarHBondContact O-N 3.16Å; D115-S194 WeakPolarHBondContact OD1-CB 3.17Å; D115-S194 PolarHBondContact OD1-OG 3.05Å; D115-R197 IonicContact OD1-NH1 2.64Å
116	L	83.1	Confident	83.5	Confident	57 Å²	57	49 Å²	49	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-45.8	176.6	-179.2	65.6	0	0	0	112	Y29 P34 S112 A113 S118 V119 T120	Y29-L116 HydrophobicContact CD1-CD1 4.42Å; Y29-L116 HydrophobicContact CD2-CB 4.38Å; Y29-L116 HydrophobicContact CD2-CD1 4.2Å; Y29-L116 HydrophobicContact CE2-CB 3.97Å; Y29-L116 HydrophobicContact CG-CD1 4.14Å; P34-L116 HydrophobicContact CG-CD2 4.44Å; S112-L116 WeakPolarHBondContact O-CB 3.45Å; S112-L116 PolarHBondContact O-N 3.25Å; A113-L116 PolarHBondContact O-N 3.03Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.99Å; L116-V119 PolarHBondContact O-N 2.66Å; L116-T120 HydrophobicContact CD1-CG2 4.49Å; L116-T120 WeakPolarHBondContact O-CB 3.32Å; L116-T120 VanDerWaalsContact O-CG2 3.3Å; L116-T120 WeakPolarHBondContact O-CG2 3.21Å; L116-T120 PolarHBondContact O-N 3.25Å; L116-T120 PolarHBondContact O-OG1 3.45Å
117	C	84.1	Confident	83.2	Confident	55 Å²	55	50.4 Å²	50.4	37%	0.372	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-39.9	175.3	-173.2	0	0	0	0	111.9	A113 L114 D115 T120 L121 L198	A113-C117 WeakPolarHBondContact O-CB 3.48Å; A113-C117 PolarHBondContact O-N 3.12Å; L114-C117 PolarHBondContact O-N 3.09Å; D115-C117 PolarHBondContact O-N 2.96Å; C117-T120 WeakPolarHBondContact CA-OG1 3.45Å; C117-T120 PolarHBondContact O-OG1 2.98Å; C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 WeakPolarHBondContact O-CG 3.36Å; C117-L121 PolarHBondContact O-N 3.28Å; C117-L198 HydrophobicContact CB-CD1 4.21Å
118	S	86	Confident	83	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-41.8	178.5	79.3	0	0	0	0	112.1	L114 D115 L116 N122	L114-S118 VanDerWaalsContact O-CB 3.28Å; L114-S118 WeakPolarHBondContact O-CB 3.31Å; L114-S118 PolarHBondContact O-N 3.34Å; L114-S118 PolarHBondContact O-OG 3.38Å; D115-S118 WeakPolarHBondContact CA-OG 3.31Å; D115-S118 PolarHBondContact O-N 3.45Å; D115-S118 VanDerWaalsContact O-N 3.14Å; D115-S118 PolarHBondContact O-OG 3.13Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.99Å; S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.11Å
119	V	82.3	Confident	83	Confident	24 Å²	24	44.5 Å²	44.5	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-46	178.4	169.4	0	0	0	0	110.5	T27 Y29 D115 L116 N122 K123 W189	T27-V119 WeakPolarHBondContact O-CG1 3.32Å; Y29-V119 HydrophobicContact CD2-CG2 4.47Å; D115-V119 VanDerWaalsContact O-CG2 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.47Å; D115-V119 PolarHBondContact O-N 3.16Å; L116-V119 PolarHBondContact O-N 2.66Å; V119-N122 PolarHBondContact O-N 2.96Å; V119-K123 PolarHBondContact O-N 2.94Å; V119-W189 HydrophobicContact CG2-CH2 3.81Å; V119-W189 HydrophobicContact CG2-CZ3 4.34Å
120	T	79.2	Confident	82.9	Confident	70 Å²	70	44.7 Å²	44.7	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-46.6	179.1	48.6	0	0	0	0	112.6	L116 C117 N122 K123 L124	L116-T120 HydrophobicContact CD1-CG2 4.49Å; L116-T120 WeakPolarHBondContact O-CB 3.32Å; L116-T120 VanDerWaalsContact O-CG2 3.3Å; L116-T120 WeakPolarHBondContact O-CG2 3.21Å; L116-T120 PolarHBondContact O-N 3.25Å; L116-T120 PolarHBondContact O-OG1 3.45Å; C117-T120 WeakPolarHBondContact CA-OG1 3.45Å; C117-T120 PolarHBondContact O-OG1 2.98Å; T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 3.27Å; T120-K123 PolarHBondContact O-N 2.86Å; T120-L124 PolarHBondContact O-N 2.95Å
121	L	83.9	Confident	82.8	Confident	38 Å²	38	43.3 Å²	43.3	20%	0.199	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-37.5	173.4	-76	170.2	0	0	0	112.2	C117 L124 C125 L198 A201 V202	C117-L121 WeakPolarHBondContact O-CB 3.38Å; C117-L121 WeakPolarHBondContact O-CG 3.36Å; C117-L121 PolarHBondContact O-N 3.28Å; L121-L124 PolarHBondContact O-N 3.12Å; L121-C125 PolarHBondContact O-N 3.3Å; L121-C125 PolarHBondContact O-SG 3.01Å; L121-L198 HydrophobicContact CD1-CD1 3.78Å; L121-A201 HydrophobicContact CB-CB 3.81Å; L121-V202 HydrophobicContact CD1-CG2 3.96Å
122	N	83.8	Confident	82.8	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-35.4	179.9	-173.3	65.4	0	0	0	112.3	S118 V119 T120 C125 R126 R129 W189 A201	S118-N122 WeakPolarHBondContact O-CB 3.41Å; S118-N122 PolarHBondContact O-N 3.11Å; V119-N122 PolarHBondContact O-N 2.96Å; T120-N122 VanDerWaalsContact C-N 3.29Å; T120-N122 PolarHBondContact O-N 3.27Å; N122-C125 PolarHBondContact O-N 3.18Å; N122-R126 PolarHBondContact O-N 3.45Å; N122-R129 VanDerWaalsContact ND2-CZ 3.3Å; N122-R129 PolarHBondContact ND2-NH1 3.38Å; N122-R129 VanDerWaalsContact OD1-CD 3.29Å; N122-R129 WeakPolarHBondContact OD1-CD 3.34Å; N122-R129 VanDerWaalsContact OD1-CZ 3.23Å; N122-R129 PolarHBondContact OD1-NE 3.24Å; N122-R129 PolarHBondContact OD1-NH1 3.05Å; N122-W189 HydrophobicContact CB-CH2 4.44Å; N122-W189 HydrophobicContact CB-CZ2 3.97Å; N122-A201 HydrophobicContact CB-CB 4.48Å
123	K	77.2	Confident	82.9	Confident	83 Å²	83	44.2 Å²	44.2	36%	0.361	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-43.5	171	-172.4	176.1	174.9	-176.1	0	111.1	D16 V119 T120 C125 R126	D16-K123 IonicContact OD2-NZ 3.42Å; D16-K123 PolarHBondContact OD2-NZ 2.95Å; V119-K123 PolarHBondContact O-N 2.94Å; T120-K123 PolarHBondContact O-N 2.86Å; K123-C125 VanDerWaalsContact C-N 3.26Å; K123-C125 PolarHBondContact O-N 3.22Å; K123-R126 PolarHBondContact O-N 3.06Å
124	L	76	Confident	83	Confident	111 Å²	111	42.7 Å²	42.7	58%	0.581	23%	0.226	S	C	*	.	H	α-helix	trans	-62.8	-29.3	177.4	-70.8	167.9	0	0	0	113.6	T120 L121	T120-L124 PolarHBondContact O-N 2.95Å; L121-L124 PolarHBondContact O-N 3.12Å
125	C	82.8	Confident	83	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.02	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	14.7	-173.6	-52.9	0	0	0	0	113.4	L121 N122 K123 E127 H128 R129 N204 C205	L121-C125 PolarHBondContact O-N 3.3Å; L121-C125 PolarHBondContact O-SG 3.01Å; N122-C125 PolarHBondContact O-N 3.18Å; K123-C125 VanDerWaalsContact C-N 3.26Å; K123-C125 PolarHBondContact O-N 3.22Å; C125-E127 PolarHBondContact O-N 2.92Å; C125-H128 PolarHBondContact O-N 3.42Å; C125-R129 WeakPolarHBondContact O-CB 3.11Å; C125-R129 PolarHBondContact O-N 3.25Å; C125-N204 HydrophobicContact CB-CB 4.36Å; C125-C205 WeakPolarHBondContact SG-CA 3.28Å; C125-C205 WeakPolarHBondContact SG-CB 3.36Å
126	R	78.4	Confident	83.1	Confident	22 Å²	22	45.4 Å²	45.4	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-53.8	-50.1	-170.5	-175	-174.7	69.1	176.1	3.1	112.6	V19 N122 K123 R129 Y130	V19-R126 PolarHBondContact O-NH1 3.27Å; V19-R126 PolarHBondContact O-NH2 3.15Å; N122-R126 PolarHBondContact O-N 3.45Å; K123-R126 PolarHBondContact O-N 3.06Å; R126-R129 PolarHBondContact O-N 3.41Å; R126-Y130 WeakPolarHBondContact O-CB 3.5Å; R126-Y130 PolarHBondContact O-N 3.36Å
127	E	80.5	Confident	83.3	Confident	117 Å²	117	46.6 Å²	46.6	55%	0.547	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-47.4	-176.8	-62.3	-179.6	175.3	0	0	112	C125 R129 Y130 V131	C125-E127 PolarHBondContact O-N 2.92Å; E127-R129 VanDerWaalsContact C-N 3.32Å; E127-R129 PolarHBondContact O-N 3.3Å; E127-Y130 PolarHBondContact O-N 3.47Å; E127-V131 WeakPolarHBondContact O-CG2 3.45Å; E127-V131 PolarHBondContact O-N 2.85Å
128	H	84.7	Confident	83.4	Confident	39 Å²	39	46 Å²	46	18%	0.181	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.5	-174	77.9	0	0	0	111.8	C125 G132 N204 G207 A208	C125-H128 PolarHBondContact O-N 3.42Å; H128-G132 PolarHBondContact O-N 3.41Å; H128-N204 PolarHBondContact CD2-O 3.29Å; H128-G207 VanDerWaalsContact CE1-C 3.49Å; H128-G207 PolarHBondContact CE1-O 3.23Å; H128-G207 VanDerWaalsContact CE1-O 3.28Å; H128-A208 HydrophobicContact CB-CB 3.6Å
129	R	84.2	Confident	83.3	Confident	30 Å²	30	51.9 Å²	51.9	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-47.1	177.7	-178.1	-177	62.9	148.8	3.3	111.4	N122 C125 R126 E127 G132 F133 V185	N122-R129 VanDerWaalsContact ND2-CZ 3.3Å; N122-R129 PolarHBondContact ND2-NH1 3.38Å; N122-R129 VanDerWaalsContact OD1-CD 3.29Å; N122-R129 WeakPolarHBondContact OD1-CD 3.34Å; N122-R129 VanDerWaalsContact OD1-CZ 3.23Å; N122-R129 PolarHBondContact OD1-NE 3.24Å; N122-R129 PolarHBondContact OD1-NH1 3.05Å; C125-R129 WeakPolarHBondContact O-CB 3.11Å; C125-R129 PolarHBondContact O-N 3.25Å; R126-R129 PolarHBondContact O-N 3.41Å; E127-R129 VanDerWaalsContact C-N 3.32Å; E127-R129 PolarHBondContact O-N 3.3Å; R129-G132 PolarHBondContact O-N 3Å; R129-F133 WeakPolarHBondContact O-CB 3.47Å; R129-F133 PolarHBondContact O-N 3.14Å; R129-V185 HydrophobicContact CG-CG1 3.73Å; R129-V185 VanDerWaalsContact CZ-CG1 3.48Å
130	Y	83.9	Confident	83.6	Confident	40 Å²	40	56.5 Å²	56.5	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-55.4	177.6	171.3	-101.3	0	0	0	111	R126 E127 G132 F133 V134 V178 M181 E182	R126-Y130 WeakPolarHBondContact O-CB 3.5Å; R126-Y130 PolarHBondContact O-N 3.36Å; E127-Y130 PolarHBondContact O-N 3.47Å; Y130-G132 VanDerWaalsContact C-N 3.33Å; Y130-G132 PolarHBondContact O-N 3.05Å; Y130-F133 PolarHBondContact O-N 3.21Å; Y130-F133 VanDerWaalsContact O-N 3.15Å; Y130-V134 HydrophobicContact CD2-CG2 4.27Å; Y130-V134 HydrophobicContact CE1-CG2 4.14Å; Y130-V134 HydrophobicContact CE2-CG2 3.89Å; Y130-V134 WeakPolarHBondContact O-CG2 3.36Å; Y130-V134 PolarHBondContact O-N 3.25Å; Y130-V178 HydrophobicContact CE2-CG1 4.24Å; Y130-M181 HydrophobicContact CE2-CB 3.86Å; Y130-E182 HydrophobicContact CD2-CG 3.58Å; Y130-E182 HydrophobicContact CE2-CG 3.72Å
131	V	85.2	Confident	83.9	Confident	67 Å²	67	57.6 Å²	57.6	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179.8	174.5	0	0	0	0	111.1	E127 F133 V134 L135 L326	E127-V131 WeakPolarHBondContact O-CG2 3.45Å; E127-V131 PolarHBondContact O-N 2.85Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 2.66Å; V131-V134 PolarHBondContact O-N 3.43Å; V131-L135 HydrophobicContact CG1-CD1 3.79Å; V131-L135 HydrophobicContact CG1-CG 4.25Å; V131-L135 WeakPolarHBondContact O-CB 3.49Å; V131-L135 VanDerWaalsContact O-CG 3.28Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 3.45Å; V131-L326 HydrophobicContact CG1-CD2 4.47Å
132	G	85.5	Confident	83.9	Confident	26 Å²	26	58.2 Å²	58.2	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-60.1	-39.5	176.9	0	0	0	0	0	113	H128 R129 Y130 S136	H128-G132 PolarHBondContact O-N 3.41Å; R129-G132 PolarHBondContact O-N 3Å; Y130-G132 VanDerWaalsContact C-N 3.33Å; Y130-G132 PolarHBondContact O-N 3.05Å; G132-S136 WeakPolarHBondContact O-CB 3.38Å; G132-S136 PolarHBondContact O-N 3.3Å
133	F	85.6	Confident	83.9	Confident	35 Å²	35	64.1 Å²	64.1	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-48.2	177.6	-175.8	-95.1	0	0	0	112	R129 Y130 V131 L135 S136 K137 M181 A184 V185	R129-F133 WeakPolarHBondContact O-CB 3.47Å; R129-F133 PolarHBondContact O-N 3.14Å; Y130-F133 PolarHBondContact O-N 3.21Å; Y130-F133 VanDerWaalsContact O-N 3.15Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 2.66Å; F133-L135 PolarHBondContact O-N 3.47Å; F133-S136 WeakPolarHBondContact O-CB 3.23Å; F133-S136 PolarHBondContact O-N 3.36Å; F133-S136 VanDerWaalsContact O-N 3.09Å; F133-S136 PolarHBondContact O-OG 2.97Å; F133-K137 HydrophobicContact CD1-CG 4.23Å; F133-K137 HydrophobicContact CE1-CG 3.94Å; F133-K137 VanDerWaalsContact CZ-CE 3.47Å; F133-K137 HydrophobicContact CZ-CG 4.25Å; F133-K137 PolarHBondContact O-N 3.24Å; F133-M181 HydrophobicContact CD1-CE 3.8Å; F133-M181 HydrophobicContact CE1-CE 3.86Å; F133-A184 HydrophobicContact CE1-CB 4.21Å; F133-A184 HydrophobicContact CZ-CB 4.33Å; F133-V185 HydrophobicContact CB-CG2 3.51Å; F133-V185 HydrophobicContact CD1-CG2 3.3Å; F133-V185 HydrophobicContact CD2-CG2 3.93Å; F133-V185 HydrophobicContact CE1-CG2 3.88Å; F133-V185 HydrophobicContact CE2-CG2 4.42Å; F133-V185 HydrophobicContact CG-CG2 3.32Å; F133-V185 HydrophobicContact CZ-CG2 4.39Å
134	V	86.6	Confident	84.2	Confident	12 Å²	12	64.6 Å²	64.6	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-55.9	-51.9	176.8	174.8	0	0	0	0	110.1	Y130 V131 S136 K137 E138 V172 M181	Y130-V134 HydrophobicContact CD2-CG2 4.27Å; Y130-V134 HydrophobicContact CE1-CG2 4.14Å; Y130-V134 HydrophobicContact CE2-CG2 3.89Å; Y130-V134 WeakPolarHBondContact O-CG2 3.36Å; Y130-V134 PolarHBondContact O-N 3.25Å; V131-V134 PolarHBondContact O-N 3.43Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.39Å; V134-K137 PolarHBondContact O-N 3.32Å; V134-K137 VanDerWaalsContact O-N 3.08Å; V134-E138 HydrophobicContact CG1-CG 4.31Å; V134-E138 WeakPolarHBondContact O-CG 3.34Å; V134-E138 PolarHBondContact O-N 3.21Å; V134-V172 HydrophobicContact CG1-CG2 4.21Å; V134-V172 HydrophobicContact CG2-CG2 4.37Å; V134-M181 HydrophobicContact CB-CE 4.24Å; V134-M181 HydrophobicContact CG2-CB 4.4Å; V134-M181 HydrophobicContact CG2-CE 3.7Å
135	L	86.1	Confident	84.4	Confident	61 Å²	61	61.9 Å²	61.9	32%	0.319	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-33.1	178.1	-70.6	176.1	0	0	0	112.8	V131 F133 K139 L326	V131-L135 HydrophobicContact CG1-CD1 3.79Å; V131-L135 HydrophobicContact CG1-CG 4.25Å; V131-L135 WeakPolarHBondContact O-CB 3.49Å; V131-L135 VanDerWaalsContact O-CG 3.28Å; V131-L135 WeakPolarHBondContact O-CG 3.47Å; V131-L135 PolarHBondContact O-N 3.45Å; F133-L135 PolarHBondContact O-N 3.47Å; L135-K139 WeakPolarHBondContact O-CB 3.16Å; L135-K139 PolarHBondContact O-N 2.97Å; L135-L326 HydrophobicContact CD1-CD2 3.85Å
136	S	86.4	Confident	84.2	Confident	60 Å²	60	64.4 Å²	64.4	42%	0.42	34%	0.336	S	S	.	.	H	α-helix	trans	-67.5	-39.4	176.2	79.6	0	0	0	0	112.2	G132 F133 V134 Q140	G132-S136 WeakPolarHBondContact O-CB 3.38Å; G132-S136 PolarHBondContact O-N 3.3Å; F133-S136 WeakPolarHBondContact O-CB 3.23Å; F133-S136 PolarHBondContact O-N 3.36Å; F133-S136 VanDerWaalsContact O-N 3.09Å; F133-S136 PolarHBondContact O-OG 2.97Å; V134-S136 VanDerWaalsContact C-N 3.26Å; V134-S136 PolarHBondContact O-N 3.39Å; S136-Q140 WeakPolarHBondContact O-CB 3.44Å; S136-Q140 PolarHBondContact O-N 3.08Å
137	K	87	Confident	84.1	Confident	82 Å²	82	66.7 Å²	66.7	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-71.4	-43.2	176.9	-70.3	-68.6	-175.4	-179.4	0	111.6	F133 V134 K139 Q140 K141 L171 M181	F133-K137 HydrophobicContact CD1-CG 4.23Å; F133-K137 HydrophobicContact CE1-CG 3.94Å; F133-K137 VanDerWaalsContact CZ-CE 3.47Å; F133-K137 HydrophobicContact CZ-CG 4.25Å; F133-K137 PolarHBondContact O-N 3.24Å; V134-K137 PolarHBondContact O-N 3.32Å; V134-K137 VanDerWaalsContact O-N 3.08Å; K137-K139 VanDerWaalsContact C-N 3.33Å; K137-K139 PolarHBondContact O-N 3.43Å; K137-Q140 WeakPolarHBondContact O-CB 3.3Å; K137-Q140 PolarHBondContact O-N 3.03Å; K137-Q140 VanDerWaalsContact O-N 3.13Å; K137-K141 PolarHBondContact O-N 3.16Å; K137-L171 HydrophobicContact CB-CD1 4.48Å; K137-L171 HydrophobicContact CB-CD2 3.91Å; K137-M181 HydrophobicContact CB-CE 4.41Å; K137-M181 HydrophobicContact CG-CE 4.3Å
138	E	86.2	Confident	83.8	Confident	44 Å²	44	68.7 Å²	68.7	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-42.5	173	-69.4	-175.1	166.7	0	0	111.3	V134 Q140 K141 L142 Q170 L171	V134-E138 HydrophobicContact CG1-CG 4.31Å; V134-E138 WeakPolarHBondContact O-CG 3.34Å; V134-E138 PolarHBondContact O-N 3.21Å; E138-Q140 VanDerWaalsContact C-N 3.32Å; E138-Q140 PolarHBondContact O-N 3.18Å; E138-K141 PolarHBondContact O-N 3.38Å; E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 PolarHBondContact O-N 2.99Å; E138-Q170 WeakPolarHBondContact OE1-CA 3.14Å; E138-L171 HydrophobicContact CB-CD1 4.37Å; E138-L171 HydrophobicContact CG-CB 4.46Å; E138-L171 HydrophobicContact CG-CD1 3.5Å; E138-L171 PolarHBondContact OE1-N 3.48Å
139	K	84.9	Confident	83.3	Confident	123 Å²	123	67.8 Å²	67.8	54%	0.535	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-37.9	173.3	-177.8	177.7	-178.6	177.4	0	112.2	L135 K137 K143	L135-K139 WeakPolarHBondContact O-CB 3.16Å; L135-K139 PolarHBondContact O-N 2.97Å; K137-K139 VanDerWaalsContact C-N 3.33Å; K137-K139 PolarHBondContact O-N 3.43Å; K139-K143 WeakPolarHBondContact O-CB 3.42Å; K139-K143 VanDerWaalsContact O-CG 3.3Å; K139-K143 WeakPolarHBondContact O-CG 3.23Å; K139-K143 PolarHBondContact O-N 3.36Å
140	Q	86.9	Confident	82.8	Confident	121 Å²	121	70 Å²	70	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-65	-44.7	174.8	-172.2	177.7	1.3	0	0	110.9	S136 K137 E138 K143 S144	S136-Q140 WeakPolarHBondContact O-CB 3.44Å; S136-Q140 PolarHBondContact O-N 3.08Å; K137-Q140 WeakPolarHBondContact O-CB 3.3Å; K137-Q140 PolarHBondContact O-N 3.03Å; K137-Q140 VanDerWaalsContact O-N 3.13Å; E138-Q140 VanDerWaalsContact C-N 3.32Å; E138-Q140 PolarHBondContact O-N 3.18Å; Q140-K143 PolarHBondContact O-N 3.39Å; Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 3.42Å
141	K	86	Confident	82.5	Confident	92 Å²	92	72.3 Å²	72.3	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-41.6	176.2	-167.1	179.3	-174.8	-178.5	0	112.3	K137 E138 S144 G145 S168 L169 L171	K137-K141 PolarHBondContact O-N 3.16Å; E138-K141 PolarHBondContact O-N 3.38Å; K141-S144 WeakPolarHBondContact CA-OG 3.32Å; K141-S144 PolarHBondContact O-N 2.94Å; K141-S144 PolarHBondContact O-OG 3.18Å; K141-G145 PolarHBondContact O-N 2.96Å; K141-S168 WeakPolarHBondContact CE-O 3.09Å; K141-S168 PolarHBondContact NZ-O 2.82Å; K141-L169 HydrophobicContact CB-CD2 4.32Å; K141-L169 HydrophobicContact CD-CD2 4.25Å; K141-L169 HydrophobicContact CG-CD2 4.02Å; K141-L171 HydrophobicContact CD-CD1 4.18Å
142	L	83.3	Confident	82.1	Confident	52 Å²	52	72.4 Å²	72.4	27%	0.272	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-44.6	174.9	179.2	68.9	0	0	0	111.1	E138 H146 L150 V164 L169	E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 PolarHBondContact O-N 2.99Å; L142-H146 PolarHBondContact O-N 3.49Å; L142-L150 HydrophobicContact CG-CD1 4.17Å; L142-V164 HydrophobicContact CD1-CG1 4.21Å; L142-L169 HydrophobicContact CB-CD1 4.5Å; L142-L169 HydrophobicContact CB-CD2 4.17Å; L142-L169 HydrophobicContact CD1-CD1 3.62Å; L142-L169 HydrophobicContact CD1-CD2 4.43Å
143	K	84.2	Confident	81.6	Confident	127 Å²	127	77.9 Å²	77.9	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-64.5	-38.2	176.9	-79.2	-178.7	173.1	-165.3	0	112.7	K139 Q140 S147	K139-K143 WeakPolarHBondContact O-CB 3.42Å; K139-K143 VanDerWaalsContact O-CG 3.3Å; K139-K143 WeakPolarHBondContact O-CG 3.23Å; K139-K143 PolarHBondContact O-N 3.36Å; Q140-K143 PolarHBondContact O-N 3.39Å; K143-S147 WeakPolarHBondContact O-CA 3.49Å; K143-S147 VanDerWaalsContact O-CB 3.26Å; K143-S147 WeakPolarHBondContact O-CB 3.43Å; K143-S147 PolarHBondContact O-N 2.84Å
144	S	84.6	Confident	81.2	Confident	92 Å²	92	80.8 Å²	80.8	64%	0.643	45%	0.45	S	S	*	.	H	α-helix	trans	-74.9	-38	178.5	58.8	0	0	0	0	112.6	Q140 K141	Q140-S144 PolarHBondContact O-N 3.28Å; Q140-S144 PolarHBondContact O-OG 3.42Å; K141-S144 WeakPolarHBondContact CA-OG 3.32Å; K141-S144 PolarHBondContact O-N 2.94Å; K141-S144 PolarHBondContact O-OG 3.18Å
145	G	80.2	Confident	80.5	Confident	54 Å²	54	87 Å²	87	56%	0.557	47%	0.472	S	S	*	.	H	α-helix	trans	-80.3	-28	-176.7	0	0	0	0	0	114.7	K141	K141-G145 PolarHBondContact O-N 2.96Å
146	H	77.5	Confident	79.9	Confident	56 Å²	56	91.3 Å²	91.3	26%	0.259	49%	0.489	S	S	.	.	S	Bend	trans	-133.6	27.3	-171.6	-61.6	86.5	0	0	0	113.1	L142 E148 S149 L150	L142-H146 PolarHBondContact O-N 3.49Å; H146-E148 VanDerWaalsContact C-N 3.28Å; H146-E148 PolarHBondContact O-N 2.92Å; H146-S149 PolarHBondContact O-N 3.29Å; H146-L150 HydrophobicContact CB-CG 4.45Å; H146-L150 VanDerWaalsContact O-CG 3.29Å; H146-L150 WeakPolarHBondContact O-CG 3.37Å; H146-L150 PolarHBondContact O-N 3.41Å
147	S	76.3	Confident	79.1	Confident	70 Å²	70	95.2 Å²	95.2	49%	0.49	50%	0.504	S	S	.	.	H	α-helix	trans	-49.4	-47.2	-178.1	54.6	0	0	0	0	112.9	K143 L150 S151	K143-S147 WeakPolarHBondContact O-CA 3.49Å; K143-S147 VanDerWaalsContact O-CB 3.26Å; K143-S147 WeakPolarHBondContact O-CB 3.43Å; K143-S147 PolarHBondContact O-N 2.84Å; S147-L150 PolarHBondContact O-N 3.04Å; S147-S151 PolarHBondContact O-N 3.33Å; S147-S151 PolarHBondContact O-OG 3.35Å
148	E	74.7	Confident	78.4	Confident	160 Å²	160	95.8 Å²	95.8	75%	0.748	52%	0.515	S	S	*	.	H	α-helix	trans	-66.7	-37.2	-180	-63.7	-173.7	168.5	0	0	112.9	H146 L150 S151 N152	H146-E148 VanDerWaalsContact C-N 3.28Å; H146-E148 PolarHBondContact O-N 2.92Å; E148-L150 VanDerWaalsContact C-N 3.32Å; E148-S151 PolarHBondContact O-OG 3.19Å; E148-S151 VanDerWaalsContact O-OG 3.09Å; E148-N152 PolarHBondContact O-N 2.66Å
149	S	73.7	Confident	77.7	Confident	19 Å²	19	97.6 Å²	97.6	13%	0.133	53%	0.526	C	S	.	.	H	α-helix	trans	-73.1	-28.3	176.7	-171.7	0	0	0	0	112.1	H146 I160	H146-S149 PolarHBondContact O-N 3.29Å; S149-I160 WeakPolarHBondContact O-CD1 3.2Å
150	L	73.7	Confident	77	Confident	77 Å²	77	92.4 Å²	92.4	40%	0.403	50%	0.504	S	S	.	.	H	α-helix	trans	-81.9	-26.4	179.8	-68	170.6	0	0	0	112.9	L142 H146 S147 E148	L142-L150 HydrophobicContact CG-CD1 4.17Å; H146-L150 HydrophobicContact CB-CG 4.45Å; H146-L150 VanDerWaalsContact O-CG 3.29Å; H146-L150 WeakPolarHBondContact O-CG 3.37Å; H146-L150 PolarHBondContact O-N 3.41Å; S147-L150 PolarHBondContact O-N 3.04Å; E148-L150 VanDerWaalsContact C-N 3.32Å
151	S	77.3	Confident	76.3	Confident	89 Å²	89	92.6 Å²	92.6	62%	0.622	50%	0.499	S	S	*	.	H	α-helix	trans	-81.3	-16.2	175	61.2	0	0	0	0	113.1	S147 E148 T153	S147-S151 PolarHBondContact O-N 3.33Å; S147-S151 PolarHBondContact O-OG 3.35Å; E148-S151 PolarHBondContact O-OG 3.19Å; E148-S151 VanDerWaalsContact O-OG 3.09Å; S151-T153 PolarHBondContact O-N 2.96Å
152	N	78	Confident	75.6	Confident	68 Å²	68	93 Å²	93	36%	0.364	51%	0.513	S	S	.	.			trans	-80.4	98	-177.8	-167.9	-13.9	0	0	0	112.4	E148 S154 R155	E148-N152 PolarHBondContact O-N 2.66Å; N152-S154 PolarHBondContact ND2-OG 2.94Å; N152-S154 PolarHBondContact O-N 3.47Å; N152-S154 VanDerWaalsContact O-N 3.11Å; N152-S154 WeakPolarHBondContact OD1-CB 3.42Å; N152-S154 PolarHBondContact OD1-N 3.33Å; N152-S154 PolarHBondContact OD1-OG 2.97Å; N152-R155 PolarHBondContact O-N 3.26Å
153	T	74.9	Confident	75	Confident	141 Å²	141	93.9 Å²	93.9	87%	0.865	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.1	178	-43.9	0	0	0	0	114.1	S151	S151-T153 PolarHBondContact O-N 2.96Å
154	S	77.7	Confident	74.4	Confident	97 Å²	97	88.5 Å²	88.5	68%	0.678	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.2	-178.2	70.5	0	0	0	0	114.4	N152	N152-S154 PolarHBondContact ND2-OG 2.94Å; N152-S154 PolarHBondContact O-N 3.47Å; N152-S154 VanDerWaalsContact O-N 3.11Å; N152-S154 WeakPolarHBondContact OD1-CB 3.42Å; N152-S154 PolarHBondContact OD1-N 3.33Å; N152-S154 PolarHBondContact OD1-OG 2.97Å
155	R	71.3	Confident	73.9	Confident	141 Å²	141	88.9 Å²	88.9	53%	0.532	50%	0.501	S	S	.	.	S	Bend	trans	-92.6	136.4	-177.7	-73.6	-173.7	168.3	-177.7	-3.9	111.7	N152 I160	N152-R155 PolarHBondContact O-N 3.26Å; R155-I160 HydrophobicContact CB-CD1 4.12Å; R155-I160 HydrophobicContact CB-CG1 4.04Å
156	K	74	Confident	73.5	Confident	152 Å²	152	90.4 Å²	90.4	66%	0.661	50%	0.496	S	S	*	.			trans	-68.6	141.8	170.5	-67.5	179.8	-179.7	174.7	0	109.5	T158 D159 I160	K156-T158 PolarHBondContact O-N 3.41Å; K156-T158 VanDerWaalsContact O-N 3.16Å; K156-D159 WeakPolarHBondContact O-CB 3.41Å; K156-D159 PolarHBondContact O-N 3.1Å; K156-I160 PolarHBondContact O-N 3.33Å
157	L	69.2	Low	73.3	Confident	142 Å²	142	91 Å²	91	74%	0.743	51%	0.505	S	S	*	.	H	α-helix	trans	-60.4	-27.6	-179.5	-148	87.8	0	0	0	112.8	D159 R161	L157-D159 VanDerWaalsContact C-N 3.33Å; L157-R161 WeakPolarHBondContact O-CB 3.36Å; L157-R161 PolarHBondContact O-N 3.39Å
158	T	71.9	Confident	73.1	Confident	94 Å²	94	90.2 Å²	90.2	58%	0.577	50%	0.499	S	S	*	.	H	α-helix	trans	-61.7	-42.2	173.4	46	0	0	0	0	111.7	K156 R161 S162	K156-T158 PolarHBondContact O-N 3.41Å; K156-T158 VanDerWaalsContact O-N 3.16Å; T158-R161 WeakPolarHBondContact O-CB 3.46Å; T158-R161 PolarHBondContact O-N 2.97Å; T158-S162 PolarHBondContact O-N 3.15Å; T158-S162 PolarHBondContact O-OG 2.83Å
159	D	72.5	Confident	73	Confident	83 Å²	83	83.6 Å²	83.6	44%	0.444	47%	0.469	S	S	.	.	H	α-helix	trans	-74.3	-36.8	-174.8	-50.8	-7.8	0	0	0	109.8	K156 L157 S162 A163	K156-D159 WeakPolarHBondContact O-CB 3.41Å; K156-D159 PolarHBondContact O-N 3.1Å; L157-D159 VanDerWaalsContact C-N 3.33Å; D159-S162 WeakPolarHBondContact CA-OG 3.42Å; D159-S162 PolarHBondContact O-N 2.72Å; D159-S162 PolarHBondContact O-OG 3.38Å; D159-A163 WeakPolarHBondContact O-CB 3.25Å; D159-A163 PolarHBondContact O-N 2.56Å
160	I	70.3	Confident	73.1	Confident	14 Å²	14	87.6 Å²	87.6	7%	0.072	49%	0.486	C	S	.	.	H	α-helix	trans	-62.6	-45.2	170.4	-59.3	172.8	0	0	0	110	S149 R155 K156 S162 A163 V164	S149-I160 WeakPolarHBondContact O-CD1 3.2Å; R155-I160 HydrophobicContact CB-CD1 4.12Å; R155-I160 HydrophobicContact CB-CG1 4.04Å; K156-I160 PolarHBondContact O-N 3.33Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 3.33Å; I160-A163 PolarHBondContact O-N 2.91Å; I160-A163 VanDerWaalsContact O-N 3.13Å; I160-V164 HydrophobicContact CG2-CG2 4.01Å; I160-V164 WeakPolarHBondContact O-CB 3.08Å; I160-V164 WeakPolarHBondContact O-CG2 3.36Å; I160-V164 PolarHBondContact O-N 3.11Å
161	R	71	Confident	73.1	Confident	124 Å²	124	86.3 Å²	86.3	47%	0.468	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-37.6	179.2	-174.8	-179	-176.7	-175.3	1.7	112.4	L157 T158 L166	L157-R161 WeakPolarHBondContact O-CB 3.36Å; L157-R161 PolarHBondContact O-N 3.39Å; T158-R161 WeakPolarHBondContact O-CB 3.46Å; T158-R161 PolarHBondContact O-N 2.97Å; R161-L166 HydrophobicContact CG-CD1 4.43Å
162	S	71.1	Confident	73	Confident	100 Å²	100	84.1 Å²	84.1	70%	0.699	46%	0.462	S	S	*	.	H	α-helix	trans	-73.7	-27	175.6	48.7	0	0	0	0	113.5	T158 D159 I160	T158-S162 PolarHBondContact O-N 3.15Å; T158-S162 PolarHBondContact O-OG 2.83Å; D159-S162 WeakPolarHBondContact CA-OG 3.42Å; D159-S162 PolarHBondContact O-N 2.72Å; D159-S162 PolarHBondContact O-OG 3.38Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 3.33Å
163	A	72.2	Confident	72.8	Confident	71 Å²	71	87.6 Å²	87.6	59%	0.587	48%	0.476	S	S	*	.	H	α-helix	trans	-81.5	-24.3	177.8	0	0	0	0	0	113.1	D159 I160	D159-A163 WeakPolarHBondContact O-CB 3.25Å; D159-A163 PolarHBondContact O-N 2.56Å; I160-A163 PolarHBondContact O-N 2.91Å; I160-A163 VanDerWaalsContact O-N 3.13Å
164	V	70.8	Confident	73	Confident	14 Å²	14	83.4 Å²	83.4	9%	0.085	45%	0.452	C	S	.	.	S	Bend	trans	-86.2	121.2	-179	172	0	0	0	0	109.9	L142 I160 L166 L169	L142-V164 HydrophobicContact CD1-CG1 4.21Å; I160-V164 HydrophobicContact CG2-CG2 4.01Å; I160-V164 WeakPolarHBondContact O-CB 3.08Å; I160-V164 WeakPolarHBondContact O-CG2 3.36Å; I160-V164 PolarHBondContact O-N 3.11Å; V164-L166 PolarHBondContact O-N 3.47Å; V164-L169 HydrophobicContact CG1-CD1 3.26Å; V164-L169 HydrophobicContact CG1-CG 4.35Å
165	D	73	Confident	72.9	Confident	101 Å²	101	82.1 Å²	82.1	54%	0.54	45%	0.448	S	S	.	.			trans	-70.5	90.2	174.2	-172.4	23.8	0	0	0	110.5	P167 S168	D165-P167 VanDerWaalsContact OD1-CD 3.31Å; D165-P167 WeakPolarHBondContact OD1-CD 3.47Å; D165-S168 WeakPolarHBondContact O-CB 3.48Å; D165-S168 PolarHBondContact O-N 3.48Å; D165-S168 PolarHBondContact O-OG 3.37Å; D165-S168 WeakPolarHBondContact OD2-CB 3.39Å
166	L	72.1	Confident	73.3	Confident	85 Å²	85	80.8 Å²	80.8	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-53.8	-44.2	-176.8	-74	159.3	0	0	0	113.6	R161 V164 S168 L169 Q170	R161-L166 HydrophobicContact CG-CD1 4.43Å; V164-L166 PolarHBondContact O-N 3.47Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 2.72Å; L166-L169 PolarHBondContact O-N 2.77Å; L166-Q170 PolarHBondContact O-N 3.14Å
167	P	73.3	Confident	73.6	Confident	68 Å²	68	75.9 Å²	75.9	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-55.2	-37.1	173.7	-26.7	32.3	0	0	0	114	D165 L169 Q170 Q173	D165-P167 VanDerWaalsContact OD1-CD 3.31Å; D165-P167 WeakPolarHBondContact OD1-CD 3.47Å; P167-L169 PolarHBondContact O-N 2.99Å; P167-Q170 PolarHBondContact O-N 2.95Å; P167-Q173 PolarHBondContact O-NE2 3.25Å
168	S	72.8	Confident	74	Confident	54 Å²	54	71 Å²	71	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-66.9	-22.6	178.8	79.4	0	0	0	0	112.9	K141 D165 L166	K141-S168 WeakPolarHBondContact CE-O 3.09Å; K141-S168 PolarHBondContact NZ-O 2.82Å; D165-S168 WeakPolarHBondContact O-CB 3.48Å; D165-S168 PolarHBondContact O-N 3.48Å; D165-S168 PolarHBondContact O-OG 3.37Å; D165-S168 WeakPolarHBondContact OD2-CB 3.39Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 2.72Å
169	L	72.9	Confident	74.1	Confident	21 Å²	21	70.7 Å²	70.7	11%	0.11	40%	0.4	C	S	.	.	H	α-helix	trans	-88.3	-22.7	-179.3	-72.7	169.8	0	0	0	113.2	K141 L142 V164 L166 P167 L171	K141-L169 HydrophobicContact CB-CD2 4.32Å; K141-L169 HydrophobicContact CD-CD2 4.25Å; K141-L169 HydrophobicContact CG-CD2 4.02Å; L142-L169 HydrophobicContact CB-CD1 4.5Å; L142-L169 HydrophobicContact CB-CD2 4.17Å; L142-L169 HydrophobicContact CD1-CD1 3.62Å; L142-L169 HydrophobicContact CD1-CD2 4.43Å; V164-L169 HydrophobicContact CG1-CD1 3.26Å; V164-L169 HydrophobicContact CG1-CG 4.35Å; L166-L169 PolarHBondContact O-N 2.77Å; P167-L169 PolarHBondContact O-N 2.99Å; L169-L171 PolarHBondContact O-N 2.84Å
170	Q	75	Confident	74.6	Confident	103 Å²	103	73.9 Å²	73.9	48%	0.481	41%	0.41	S	S	.	.			trans	-64.9	123.8	178.9	-70.4	175.7	-29.9	0	0	110	E138 L166 P167	E138-Q170 WeakPolarHBondContact OE1-CA 3.14Å; L166-Q170 PolarHBondContact O-N 3.14Å; P167-Q170 PolarHBondContact O-N 2.95Å
171	L	75	Confident	75.2	Confident	51 Å²	51	74 Å²	74	27%	0.267	41%	0.411	S	S	.	.	S	Bend	trans	-83.4	-18.1	175.8	-93.8	86.6	0	0	0	112.9	K137 E138 K141 L169 M181	K137-L171 HydrophobicContact CB-CD1 4.48Å; K137-L171 HydrophobicContact CB-CD2 3.91Å; E138-L171 HydrophobicContact CB-CD1 4.37Å; E138-L171 HydrophobicContact CG-CB 4.46Å; E138-L171 HydrophobicContact CG-CD1 3.5Å; E138-L171 PolarHBondContact OE1-N 3.48Å; K141-L171 HydrophobicContact CD-CD1 4.18Å; L169-L171 PolarHBondContact O-N 2.84Å; L171-M181 HydrophobicContact CB-CE 4.43Å; L171-M181 HydrophobicContact CD2-CE 3.69Å; L171-M181 HydrophobicContact CD2-SD 3.78Å
172	V	74.6	Confident	75.5	Confident	42 Å²	42	70.2 Å²	70.2	26%	0.255	40%	0.398	S	S	.	.			trans	-120.8	107	-172.7	-177.4	0	0	0	0	108.3	V134 D177 V178 M181	V134-V172 HydrophobicContact CG1-CG2 4.21Å; V134-V172 HydrophobicContact CG2-CG2 4.37Å; V172-D177 HydrophobicContact CG1-CB 4.43Å; V172-V178 HydrophobicContact CG1-CG2 3.49Å; V172-V178 VanDerWaalsContact CG1-CG2 3.49Å; V172-M181 HydrophobicContact CG2-CG 4.23Å
173	Q	74.5	Confident	75.9	Confident	142 Å²	142	68.3 Å²	68.3	66%	0.664	38%	0.382	S	S	*	.	S	Bend	trans	-119.5	-28.1	174.1	-65.9	-176.3	-7.7	0	0	111.6	P167 D177	P167-Q173 PolarHBondContact O-NE2 3.25Å; Q173-D177 PolarHBondContact N-OD2 3.21Å
174	S	77.3	Confident	76.5	Confident	52 Å²	52	66.9 Å²	66.9	36%	0.364	37%	0.37	S	S	.	.	S	Bend	trans	-120.9	162.6	-179.9	70.1	0	0	0	0	112.4	N176 D177 V178	S174-N176 VanDerWaalsContact C-N 3.26Å; S174-N176 PolarHBondContact O-N 3.48Å; S174-D177 PolarHBondContact N-OD2 2.97Å; S174-D177 WeakPolarHBondContact O-CB 3.41Å; S174-D177 PolarHBondContact O-N 3.36Å; S174-D177 VanDerWaalsContact O-N 3.12Å; S174-D177 PolarHBondContact OG-N 2.8Å; S174-D177 PolarHBondContact OG-OD2 3.16Å; S174-V178 PolarHBondContact O-N 2.68Å
175	A	77.3	Confident	77	Confident	71 Å²	71	66.5 Å²	66.5	59%	0.587	37%	0.368	S	S	*	.	H	α-helix	trans	-57.2	-40.1	172.9	0	0	0	0	0	111.8	D177 V178 E179	A175-D177 PolarHBondContact O-N 3.33Å; A175-V178 WeakPolarHBondContact O-CA 3.39Å; A175-V178 WeakPolarHBondContact O-CB 3.43Å; A175-V178 PolarHBondContact O-N 3.26Å; A175-E179 WeakPolarHBondContact O-CG 3.26Å; A175-E179 PolarHBondContact O-N 3.41Å; A175-E179 VanDerWaalsContact O-N 3.13Å
176	N	79.1	Confident	77.2	Confident	112 Å²	112	62.1 Å²	62.1	60%	0.599	35%	0.345	S	S	*	.	H	α-helix	trans	-61.4	-31.4	177.1	-66.2	-5.4	0	0	0	112.9	S174 V178 E179 K180	S174-N176 VanDerWaalsContact C-N 3.26Å; S174-N176 PolarHBondContact O-N 3.48Å; N176-V178 VanDerWaalsContact C-N 3.32Å; N176-E179 PolarHBondContact O-N 2.99Å; N176-K180 WeakPolarHBondContact O-CB 3.18Å; N176-K180 PolarHBondContact O-N 2.92Å
177	D	80.3	Confident	77.7	Confident	49 Å²	49	61 Å²	61	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-32.4	174.7	-60.4	-46.3	0	0	0	111.5	V172 Q173 S174 A175 M181	V172-D177 HydrophobicContact CG1-CB 4.43Å; Q173-D177 PolarHBondContact N-OD2 3.21Å; S174-D177 PolarHBondContact N-OD2 2.97Å; S174-D177 WeakPolarHBondContact O-CB 3.41Å; S174-D177 PolarHBondContact O-N 3.36Å; S174-D177 VanDerWaalsContact O-N 3.12Å; S174-D177 PolarHBondContact OG-N 2.8Å; S174-D177 PolarHBondContact OG-OD2 3.16Å; A175-D177 PolarHBondContact O-N 3.33Å; D177-M181 VanDerWaalsContact O-CB 3.3Å; D177-M181 WeakPolarHBondContact O-CB 3.38Å; D177-M181 WeakPolarHBondContact O-CG 3.46Å; D177-M181 PolarHBondContact O-N 3.05Å
178	V	76.6	Confident	78.2	Confident	41 Å²	41	60.8 Å²	60.8	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-52.3	172	-178.9	0	0	0	0	109.3	Y130 V172 S174 A175 N176 K180 M181 E182	Y130-V178 HydrophobicContact CE2-CG1 4.24Å; V172-V178 HydrophobicContact CG1-CG2 3.49Å; V172-V178 VanDerWaalsContact CG1-CG2 3.49Å; S174-V178 PolarHBondContact O-N 2.68Å; A175-V178 WeakPolarHBondContact O-CA 3.39Å; A175-V178 WeakPolarHBondContact O-CB 3.43Å; A175-V178 PolarHBondContact O-N 3.26Å; N176-V178 VanDerWaalsContact C-N 3.32Å; V178-K180 VanDerWaalsContact C-N 3.33Å; V178-K180 PolarHBondContact O-N 3.32Å; V178-M181 PolarHBondContact O-N 3.47Å; V178-M181 VanDerWaalsContact O-N 3.14Å; V178-E182 HydrophobicContact CG1-CG 4.29Å; V178-E182 WeakPolarHBondContact O-CB 3.36Å; V178-E182 WeakPolarHBondContact O-CG 3.39Å; V178-E182 PolarHBondContact O-N 2.75Å
179	E	75.7	Confident	78.6	Confident	87 Å²	87	58.8 Å²	58.8	41%	0.407	32%	0.321	S	S	.	.	H	α-helix	trans	-56.5	-46.4	179.2	-58	-165.7	160.6	0	0	112.2	V22 A175 N176 M181 E182 T183	V22-E179 HydrophobicContact CB-CG 4.28Å; V22-E179 HydrophobicContact CG1-CB 3.66Å; V22-E179 HydrophobicContact CG1-CG 3.38Å; V22-E179 HydrophobicContact CG2-CG 3.92Å; A175-E179 WeakPolarHBondContact O-CG 3.26Å; A175-E179 PolarHBondContact O-N 3.41Å; A175-E179 VanDerWaalsContact O-N 3.13Å; N176-E179 PolarHBondContact O-N 2.99Å; E179-M181 PolarHBondContact O-N 3.31Å; E179-E182 PolarHBondContact O-N 3.3Å; E179-T183 WeakPolarHBondContact O-CB 3.43Å; E179-T183 PolarHBondContact O-N 2.93Å; E179-T183 PolarHBondContact O-OG1 3.01Å
180	K	82.3	Confident	78.9	Confident	150 Å²	150	61.8 Å²	61.8	65%	0.652	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-43.5	177.1	-176.6	179.6	179.4	179.6	0	112.1	N176 V178 A184	N176-K180 WeakPolarHBondContact O-CB 3.18Å; N176-K180 PolarHBondContact O-N 2.92Å; V178-K180 VanDerWaalsContact C-N 3.33Å; V178-K180 PolarHBondContact O-N 3.32Å; K180-A184 WeakPolarHBondContact O-CB 3.44Å; K180-A184 PolarHBondContact O-N 3.38Å
181	M	82	Confident	79.4	Confident	17 Å²	17	64.2 Å²	64.2	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-71.3	-39	180	-72	-64.1	-74.5	0	0	111.7	Y130 F133 V134 K137 L171 V172 D177 V178 E179 A184 V185	Y130-M181 HydrophobicContact CE2-CB 3.86Å; F133-M181 HydrophobicContact CD1-CE 3.8Å; F133-M181 HydrophobicContact CE1-CE 3.86Å; V134-M181 HydrophobicContact CB-CE 4.24Å; V134-M181 HydrophobicContact CG2-CB 4.4Å; V134-M181 HydrophobicContact CG2-CE 3.7Å; K137-M181 HydrophobicContact CB-CE 4.41Å; K137-M181 HydrophobicContact CG-CE 4.3Å; L171-M181 HydrophobicContact CB-CE 4.43Å; L171-M181 HydrophobicContact CD2-CE 3.69Å; L171-M181 HydrophobicContact CD2-SD 3.78Å; V172-M181 HydrophobicContact CG2-CG 4.23Å; D177-M181 VanDerWaalsContact O-CB 3.3Å; D177-M181 WeakPolarHBondContact O-CB 3.38Å; D177-M181 WeakPolarHBondContact O-CG 3.46Å; D177-M181 PolarHBondContact O-N 3.05Å; V178-M181 PolarHBondContact O-N 3.47Å; V178-M181 VanDerWaalsContact O-N 3.14Å; E179-M181 PolarHBondContact O-N 3.31Å; M181-A184 PolarHBondContact O-N 3.36Å; M181-V185 VanDerWaalsContact O-CG2 3.24Å; M181-V185 WeakPolarHBondContact O-CG2 3.41Å; M181-V185 PolarHBondContact O-N 3.46Å
182	E	78.4	Confident	79.8	Confident	44 Å²	44	64.7 Å²	64.7	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-43.2	173.5	-75.6	-166.6	166.1	0	0	111.9	V22 Y130 V178 E179 V185 S186	V22-E182 VanDerWaalsContact CG2-OE2 3.23Å; V22-E182 WeakPolarHBondContact CG2-OE2 3.38Å; Y130-E182 HydrophobicContact CD2-CG 3.58Å; Y130-E182 HydrophobicContact CE2-CG 3.72Å; V178-E182 HydrophobicContact CG1-CG 4.29Å; V178-E182 WeakPolarHBondContact O-CB 3.36Å; V178-E182 WeakPolarHBondContact O-CG 3.39Å; V178-E182 PolarHBondContact O-N 2.75Å; E179-E182 PolarHBondContact O-N 3.3Å; E182-V185 WeakPolarHBondContact O-CB 3.48Å; E182-V185 PolarHBondContact O-N 2.92Å; E182-S186 PolarHBondContact O-N 2.92Å
183	T	79.6	Confident	80.3	Confident	60 Å²	60	66.2 Å²	66.2	37%	0.368	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-41	176.1	-53.6	0	0	0	0	111.4	E179 V185 S186 V187	E179-T183 WeakPolarHBondContact O-CB 3.43Å; E179-T183 PolarHBondContact O-N 2.93Å; E179-T183 PolarHBondContact O-OG1 3.01Å; T183-V185 VanDerWaalsContact C-N 3.29Å; T183-V185 PolarHBondContact O-N 3.23Å; T183-S186 WeakPolarHBondContact CA-OG 3.45Å; T183-S186 PolarHBondContact O-N 3.27Å; T183-S186 PolarHBondContact O-OG 3.28Å; T183-V187 HydrophobicContact CG2-CG2 4.42Å; T183-V187 WeakPolarHBondContact O-CB 3.46Å; T183-V187 VanDerWaalsContact O-CG2 3.27Å; T183-V187 WeakPolarHBondContact O-CG2 3.38Å; T183-V187 PolarHBondContact O-N 3.28Å
184	A	83.8	Confident	80.5	Confident	41 Å²	41	61 Å²	61	34%	0.339	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-37	175.3	0	0	0	0	0	112.2	F133 K180 M181 D188	F133-A184 HydrophobicContact CE1-CB 4.21Å; F133-A184 HydrophobicContact CZ-CB 4.33Å; K180-A184 WeakPolarHBondContact O-CB 3.44Å; K180-A184 PolarHBondContact O-N 3.38Å; M181-A184 PolarHBondContact O-N 3.36Å; A184-D188 WeakPolarHBondContact O-CB 3.28Å; A184-D188 PolarHBondContact O-N 3.46Å
185	V	82	Confident	80.8	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-43.7	175.3	170.7	0	0	0	0	111.5	R129 F133 M181 E182 T183 W189	R129-V185 HydrophobicContact CG-CG1 3.73Å; R129-V185 VanDerWaalsContact CZ-CG1 3.48Å; F133-V185 HydrophobicContact CB-CG2 3.51Å; F133-V185 HydrophobicContact CD1-CG2 3.3Å; F133-V185 HydrophobicContact CD2-CG2 3.93Å; F133-V185 HydrophobicContact CE1-CG2 3.88Å; F133-V185 HydrophobicContact CE2-CG2 4.42Å; F133-V185 HydrophobicContact CG-CG2 3.32Å; F133-V185 HydrophobicContact CZ-CG2 4.39Å; M181-V185 VanDerWaalsContact O-CG2 3.24Å; M181-V185 WeakPolarHBondContact O-CG2 3.41Å; M181-V185 PolarHBondContact O-N 3.46Å; E182-V185 WeakPolarHBondContact O-CB 3.48Å; E182-V185 PolarHBondContact O-N 2.92Å; T183-V185 VanDerWaalsContact C-N 3.29Å; T183-V185 PolarHBondContact O-N 3.23Å; V185-W189 WeakPolarHBondContact O-CB 3.44Å; V185-W189 PolarHBondContact O-N 3.43Å; V185-W189 VanDerWaalsContact O-N 3.12Å
186	S	77.9	Confident	81.3	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-65.1	-44.1	179	64.2	0	0	0	0	111.1	E182 T183 W189 Q190	E182-S186 PolarHBondContact O-N 2.92Å; T183-S186 WeakPolarHBondContact CA-OG 3.45Å; T183-S186 PolarHBondContact O-N 3.27Å; T183-S186 PolarHBondContact O-OG 3.28Å; S186-W189 PolarHBondContact O-N 2.98Å; S186-Q190 WeakPolarHBondContact O-CB 3.34Å; S186-Q190 VanDerWaalsContact O-CG 3.28Å; S186-Q190 WeakPolarHBondContact O-CG 3.08Å; S186-Q190 PolarHBondContact O-N 2.91Å
187	V	82.3	Confident	81.6	Confident	61 Å²	61	58.2 Å²	58.2	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-46.5	176.9	174.1	0	0	0	0	112	T183 W189 Q190 Q191	T183-V187 HydrophobicContact CG2-CG2 4.42Å; T183-V187 WeakPolarHBondContact O-CB 3.46Å; T183-V187 VanDerWaalsContact O-CG2 3.27Å; T183-V187 WeakPolarHBondContact O-CG2 3.38Å; T183-V187 PolarHBondContact O-N 3.28Å; V187-W189 PolarHBondContact O-N 2.84Å; V187-Q190 PolarHBondContact O-N 3.23Å; V187-Q191 HydrophobicContact CG1-CG 4.5Å; V187-Q191 WeakPolarHBondContact O-CG 3.29Å; V187-Q191 PolarHBondContact O-N 3.04Å
188	D	82.6	Confident	81.9	Confident	65 Å²	65	57.7 Å²	57.7	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-38.1	176.7	178.2	80.7	0	0	0	111.9	A184 K192	A184-D188 WeakPolarHBondContact O-CB 3.28Å; A184-D188 PolarHBondContact O-N 3.46Å; D188-K192 WeakPolarHBondContact O-CE 3.35Å; D188-K192 WeakPolarHBondContact OD2-CE 3.41Å; D188-K192 IonicContact OD2-NZ 3.95Å; D188-K192 PolarHBondContact OD2-NZ 2.97Å
189	W	82.1	Confident	82.6	Confident	11 Å²	11	61.1 Å²	61.1	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-72.8	-43.1	177.8	-177	82.4	0	0	0	112	V119 N122 V185 S186 V187 Q191 K192 R197	V119-W189 HydrophobicContact CG2-CH2 3.81Å; V119-W189 HydrophobicContact CG2-CZ3 4.34Å; N122-W189 HydrophobicContact CB-CH2 4.44Å; N122-W189 HydrophobicContact CB-CZ2 3.97Å; V185-W189 WeakPolarHBondContact O-CB 3.44Å; V185-W189 PolarHBondContact O-N 3.43Å; V185-W189 VanDerWaalsContact O-N 3.12Å; S186-W189 PolarHBondContact O-N 2.98Å; V187-W189 PolarHBondContact O-N 2.84Å; W189-Q191 VanDerWaalsContact C-N 3.29Å; W189-Q191 PolarHBondContact O-N 3.48Å; W189-K192 PolarHBondContact O-N 3.37Å; W189-R197 HydrophobicContact CD2-CG 4.25Å; W189-R197 HydrophobicContact CZ2-CB 3.75Å; W189-R197 HydrophobicContact CZ2-CG 4.17Å; W189-R197 PolarHBondContact NE1-O 3.19Å; W189-R197 WeakPolarHBondContact O-CG 3.35Å; W189-R197 PolarHBondContact O-NE 3.37Å
190	Q	79.5	Confident	83.2	Confident	85 Å²	85	59 Å²	59	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-28.5	178.6	-74.9	177.4	-2.9	0	0	112.9	A26 S186 V187 K192 R197	A26-Q190 PolarHBondContact O-NE2 3.5Å; S186-Q190 WeakPolarHBondContact O-CB 3.34Å; S186-Q190 VanDerWaalsContact O-CG 3.28Å; S186-Q190 WeakPolarHBondContact O-CG 3.08Å; S186-Q190 PolarHBondContact O-N 2.91Å; V187-Q190 PolarHBondContact O-N 3.23Å; Q190-K192 PolarHBondContact O-N 2.64Å; Q190-R197 PolarHBondContact O-NE 3.44Å; Q190-R197 PolarHBondContact O-NH2 2.92Å
191	Q	83.8	Confident	83.4	Confident	153 Å²	153	51.8 Å²	51.8	72%	0.715	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17	177.2	-74	175.7	0.8	0	0	114.2	V187 W189	V187-Q191 HydrophobicContact CG1-CG 4.5Å; V187-Q191 WeakPolarHBondContact O-CG 3.29Å; V187-Q191 PolarHBondContact O-N 3.04Å; W189-Q191 VanDerWaalsContact C-N 3.29Å; W189-Q191 PolarHBondContact O-N 3.48Å
192	K	84.4	Confident	83.7	Confident	62 Å²	62	53.7 Å²	53.7	27%	0.27	30%	0.302	S	S	.	.	S	Bend	trans	-80.6	154.9	-178.5	-65.4	170	-169.5	164.8	0	111.4	D188 W189 Q190 T196 R197 N200	D188-K192 WeakPolarHBondContact O-CE 3.35Å; D188-K192 WeakPolarHBondContact OD2-CE 3.41Å; D188-K192 IonicContact OD2-NZ 3.95Å; D188-K192 PolarHBondContact OD2-NZ 2.97Å; W189-K192 PolarHBondContact O-N 3.37Å; Q190-K192 PolarHBondContact O-N 2.64Å; K192-T196 HydrophobicContact CB-CG2 4.23Å; K192-T196 HydrophobicContact CD-CG2 4.3Å; K192-T196 HydrophobicContact CG-CG2 4.45Å; K192-R197 HydrophobicContact CB-CG 4Å; K192-R197 PolarHBondContact O-NE 3.22Å; K192-R197 PolarHBondContact O-NH2 3.31Å; K192-N200 PolarHBondContact NZ-ND2 3.33Å
193	S	85.2	Confident	84.3	Confident	73 Å²	73	55.5 Å²	55.5	51%	0.51	32%	0.317	S	S	.	.			trans	-63.9	152.8	173	67.3	0	0	0	0	111.6	A195 T196 R197	S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.06Å; S193-T196 CarbonylContact O-C 3.49Å; S193-T196 WeakPolarHBondContact O-CA 3.23Å; S193-T196 WeakPolarHBondContact O-CB 3.36Å; S193-T196 PolarHBondContact O-N 3.43Å; S193-T196 PolarHBondContact OG-OG1 3.49Å; S193-R197 WeakPolarHBondContact O-CG 3.32Å; S193-R197 PolarHBondContact O-N 3.23Å
194	S	78.3	Confident	84.7	Confident	34 Å²	34	54.1 Å²	54.1	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-52.9	-42.8	-176.6	-62.2	0	0	0	0	113.7	D115 T196 R197 L198	D115-S194 WeakPolarHBondContact OD1-CB 3.17Å; D115-S194 PolarHBondContact OD1-OG 3.05Å; S194-T196 PolarHBondContact O-N 3Å; S194-R197 WeakPolarHBondContact O-CB 3.3Å; S194-R197 PolarHBondContact O-N 3.41Å; S194-L198 PolarHBondContact O-N 3.3Å; S194-L198 VanDerWaalsContact O-N 3.09Å
195	A	84.3	Confident	84.9	Confident	64 Å²	64	53.8 Å²	53.8	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-39.7	176.3	0	0	0	0	0	112.5	S193 L198 L199	S193-A195 VanDerWaalsContact C-N 3.31Å; S193-A195 PolarHBondContact O-N 3.06Å; A195-L198 PolarHBondContact O-N 2.59Å; A195-L199 PolarHBondContact O-N 3.06Å
196	T	87.1	Confident	85.3	Confident	66 Å²	66	57.4 Å²	57.4	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-70.2	-35.5	177.6	-48.3	0	0	0	0	111.1	K192 S193 S194 L199 N200	K192-T196 HydrophobicContact CB-CG2 4.23Å; K192-T196 HydrophobicContact CD-CG2 4.3Å; K192-T196 HydrophobicContact CG-CG2 4.45Å; S193-T196 CarbonylContact O-C 3.49Å; S193-T196 WeakPolarHBondContact O-CA 3.23Å; S193-T196 WeakPolarHBondContact O-CB 3.36Å; S193-T196 PolarHBondContact O-N 3.43Å; S193-T196 PolarHBondContact OG-OG1 3.49Å; S194-T196 PolarHBondContact O-N 3Å; T196-L199 PolarHBondContact O-N 3.37Å; T196-N200 VanDerWaalsContact O-CB 3.22Å; T196-N200 WeakPolarHBondContact O-CB 3.23Å; T196-N200 PolarHBondContact O-N 2.98Å
197	R	85.9	Confident	85.8	Confident	46 Å²	46	57.2 Å²	57.2	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-46.5	173.4	-71.4	-173.6	-154.2	152.9	0.7	111.3	D115 W189 Q190 K192 S193 S194 N200 A201	D115-R197 IonicContact OD1-NH1 2.64Å; W189-R197 HydrophobicContact CD2-CG 4.25Å; W189-R197 HydrophobicContact CZ2-CB 3.75Å; W189-R197 HydrophobicContact CZ2-CG 4.17Å; W189-R197 PolarHBondContact NE1-O 3.19Å; W189-R197 WeakPolarHBondContact O-CG 3.35Å; W189-R197 PolarHBondContact O-NE 3.37Å; Q190-R197 PolarHBondContact O-NE 3.44Å; Q190-R197 PolarHBondContact O-NH2 2.92Å; K192-R197 HydrophobicContact CB-CG 4Å; K192-R197 PolarHBondContact O-NE 3.22Å; K192-R197 PolarHBondContact O-NH2 3.31Å; S193-R197 WeakPolarHBondContact O-CG 3.32Å; S193-R197 PolarHBondContact O-N 3.23Å; S194-R197 WeakPolarHBondContact O-CB 3.3Å; S194-R197 PolarHBondContact O-N 3.41Å; R197-N200 PolarHBondContact O-N 3.46Å; R197-A201 WeakPolarHBondContact O-CB 3.4Å; R197-A201 PolarHBondContact O-N 3.3Å
198	L	87.2	Confident	86	Confident	37 Å²	37	55.7 Å²	55.7	19%	0.194	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-49.8	176.7	-179.7	64.8	0	0	0	111.5	L114 C117 L121 S194 A195 N200 A201 V202	L114-L198 HydrophobicContact CD2-CD2 3.6Å; C117-L198 HydrophobicContact CB-CD1 4.21Å; L121-L198 HydrophobicContact CD1-CD1 3.78Å; S194-L198 PolarHBondContact O-N 3.3Å; S194-L198 VanDerWaalsContact O-N 3.09Å; A195-L198 PolarHBondContact O-N 2.59Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.86Å; L198-A201 WeakPolarHBondContact O-CB 3.39Å; L198-A201 PolarHBondContact O-N 2.96Å; L198-A201 VanDerWaalsContact O-N 3.13Å; L198-V202 HydrophobicContact CD1-CG2 4.48Å; L198-V202 WeakPolarHBondContact O-CG2 3.49Å; L198-V202 PolarHBondContact O-N 3.46Å
199	L	90	Very high	86.3	Confident	113 Å²	113	56.5 Å²	56.5	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-59	-43.9	179.2	-178.4	63.6	0	0	0	111.7	A195 T196 V202 V203	A195-L199 PolarHBondContact O-N 3.06Å; T196-L199 PolarHBondContact O-N 3.37Å; L199-V202 PolarHBondContact O-N 3.01Å; L199-V203 WeakPolarHBondContact O-CG2 3.07Å; L199-V203 PolarHBondContact O-N 3.35Å
200	N	88	Confident	86.8	Confident	42 Å²	42	56.4 Å²	56.4	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176.7	-170.5	9.8	0	0	0	111.4	K192 T196 R197 L198 V203 N204	K192-N200 PolarHBondContact NZ-ND2 3.33Å; T196-N200 VanDerWaalsContact O-CB 3.22Å; T196-N200 WeakPolarHBondContact O-CB 3.23Å; T196-N200 PolarHBondContact O-N 2.98Å; R197-N200 PolarHBondContact O-N 3.46Å; L198-N200 VanDerWaalsContact C-N 3.32Å; L198-N200 PolarHBondContact O-N 2.86Å; N200-V203 PolarHBondContact O-N 3.24Å; N200-N204 WeakPolarHBondContact O-CB 3.36Å; N200-N204 VanDerWaalsContact O-CG 3.24Å; N200-N204 PolarHBondContact O-N 2.68Å; N200-N204 PolarHBondContact O-ND2 3.15Å; N200-N204 PolarHBondContact OD1-ND2 2.62Å
201	A	87.2	Confident	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-42.8	174.9	0	0	0	0	0	111.8	L121 N122 R197 L198 N204 C205	L121-A201 HydrophobicContact CB-CB 3.81Å; N122-A201 HydrophobicContact CB-CB 4.48Å; R197-A201 WeakPolarHBondContact O-CB 3.4Å; R197-A201 PolarHBondContact O-N 3.3Å; L198-A201 WeakPolarHBondContact O-CB 3.39Å; L198-A201 PolarHBondContact O-N 2.96Å; L198-A201 VanDerWaalsContact O-N 3.13Å; A201-N204 PolarHBondContact O-N 2.95Å; A201-C205 WeakPolarHBondContact O-CB 3.41Å; A201-C205 PolarHBondContact O-N 2.92Å
202	V	89.1	Confident	87.6	Confident	56 Å²	56	50.7 Å²	50.7	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-45.9	176.1	172.5	0	0	0	0	111.7	L121 L198 L199 N204 C205 I206	L121-V202 HydrophobicContact CD1-CG2 3.96Å; L198-V202 HydrophobicContact CD1-CG2 4.48Å; L198-V202 WeakPolarHBondContact O-CG2 3.49Å; L198-V202 PolarHBondContact O-N 3.46Å; L199-V202 PolarHBondContact O-N 3.01Å; V202-N204 PolarHBondContact O-N 3.01Å; V202-C205 WeakPolarHBondContact O-CB 3.4Å; V202-C205 PolarHBondContact O-N 2.79Å; V202-I206 HydrophobicContact CG1-CD1 4Å; V202-I206 WeakPolarHBondContact O-CG1 3.45Å; V202-I206 PolarHBondContact O-N 3.08Å
203	V	90.3	Very high	88	Confident	83 Å²	83	50.4 Å²	50.4	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-42.3	178.7	171.3	0	0	0	0	111.4	L199 N200 C205 I206 G207	L199-V203 WeakPolarHBondContact O-CG2 3.07Å; L199-V203 PolarHBondContact O-N 3.35Å; N200-V203 PolarHBondContact O-N 3.24Å; V203-C205 VanDerWaalsContact C-N 3.31Å; V203-C205 PolarHBondContact O-N 3.37Å; V203-I206 PolarHBondContact O-N 3.3Å; V203-G207 PolarHBondContact O-N 3.03Å
204	N	87.9	Confident	88.4	Confident	31 Å²	31	47 Å²	47	17%	0.166	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-34.2	176.2	-69	-35.6	0	0	0	111.9	C125 H128 N200 A201 V202 G207 A208	C125-N204 HydrophobicContact CB-CB 4.36Å; H128-N204 PolarHBondContact CD2-O 3.29Å; N200-N204 WeakPolarHBondContact O-CB 3.36Å; N200-N204 VanDerWaalsContact O-CG 3.24Å; N200-N204 PolarHBondContact O-N 2.68Å; N200-N204 PolarHBondContact O-ND2 3.15Å; N200-N204 PolarHBondContact OD1-ND2 2.62Å; A201-N204 PolarHBondContact O-N 2.95Å; V202-N204 PolarHBondContact O-N 3.01Å; N204-G207 PolarHBondContact O-N 3.41Å; N204-A208 VanDerWaalsContact O-CB 3.3Å; N204-A208 WeakPolarHBondContact O-CB 3.35Å; N204-A208 PolarHBondContact O-N 2.86Å
205	C	88.6	Confident	89.1	Confident	34 Å²	34	45.6 Å²	45.6	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-49	174.4	-172.7	0	0	0	0	112.2	C125 A201 V202 V203 G207 A208 H209	C125-C205 WeakPolarHBondContact SG-CA 3.28Å; C125-C205 WeakPolarHBondContact SG-CB 3.36Å; A201-C205 WeakPolarHBondContact O-CB 3.41Å; A201-C205 PolarHBondContact O-N 2.92Å; V202-C205 WeakPolarHBondContact O-CB 3.4Å; V202-C205 PolarHBondContact O-N 2.79Å; V203-C205 VanDerWaalsContact C-N 3.31Å; V203-C205 PolarHBondContact O-N 3.37Å; C205-G207 VanDerWaalsContact C-N 3.29Å; C205-G207 PolarHBondContact O-N 3.24Å; C205-A208 PolarHBondContact O-N 2.9Å; C205-H209 PolarHBondContact O-N 3.48Å
206	I	89.9	Confident	89.5	Confident	81 Å²	81	46 Å²	46	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-40.1	175.6	-64.5	165.4	0	0	0	110.4	V202 V203 A208 H209 T210 L213 F318	V202-I206 HydrophobicContact CG1-CD1 4Å; V202-I206 WeakPolarHBondContact O-CG1 3.45Å; V202-I206 PolarHBondContact O-N 3.08Å; V203-I206 PolarHBondContact O-N 3.3Å; I206-A208 VanDerWaalsContact C-N 3.34Å; I206-A208 PolarHBondContact O-N 3.23Å; I206-H209 PolarHBondContact O-N 3.46Å; I206-T210 WeakPolarHBondContact O-CG2 3.36Å; I206-T210 PolarHBondContact O-N 2.73Å; I206-L213 HydrophobicContact CG2-CD1 3.73Å; I206-F318 HydrophobicContact CG2-CE1 4.33Å
207	G	88.6	Confident	89.9	Confident	5 Å²	5	45 Å²	45	5%	0.052	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-35.4	175.7	0	0	0	0	0	114	H128 V203 N204 C205	H128-G207 VanDerWaalsContact CE1-C 3.49Å; H128-G207 PolarHBondContact CE1-O 3.23Å; H128-G207 VanDerWaalsContact CE1-O 3.28Å; V203-G207 PolarHBondContact O-N 3.03Å; N204-G207 PolarHBondContact O-N 3.41Å; C205-G207 VanDerWaalsContact C-N 3.29Å; C205-G207 PolarHBondContact O-N 3.24Å
208	A	86.7	Confident	90.3	Very high	28 Å²	28	42.9 Å²	42.9	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-70.8	-37.4	179.2	0	0	0	0	0	112.7	H128 N204 C205 I206	H128-A208 HydrophobicContact CB-CB 3.6Å; N204-A208 VanDerWaalsContact O-CB 3.3Å; N204-A208 WeakPolarHBondContact O-CB 3.35Å; N204-A208 PolarHBondContact O-N 2.86Å; C205-A208 PolarHBondContact O-N 2.9Å; I206-A208 VanDerWaalsContact C-N 3.34Å; I206-A208 PolarHBondContact O-N 3.23Å
209	H	88.3	Confident	90.6	Very high	82 Å²	82	41.1 Å²	41.1	38%	0.38	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	40.8	-170	-63.1	-63.1	0	0	0	113.9	C205 I206 D211 I212 L213	C205-H209 PolarHBondContact O-N 3.48Å; I206-H209 PolarHBondContact O-N 3.46Å; H209-D211 VanDerWaalsContact C-N 3.29Å; H209-D211 PolarHBondContact O-N 3.36Å; H209-I212 HydrophobicContact CB-CD1 4.19Å; H209-I212 PolarHBondContact O-N 2.97Å; H209-L213 PolarHBondContact O-N 3.13Å
210	T	92.4	Very high	90.7	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-26.1	-178.7	49.6	0	0	0	0	114.5	I206 C214 F318 H319 M322	I206-T210 WeakPolarHBondContact O-CG2 3.36Å; I206-T210 PolarHBondContact O-N 2.73Å; T210-C214 PolarHBondContact O-N 2.9Å; T210-C214 PolarHBondContact O-SG 2.96Å; T210-F318 HydrophobicContact CG2-CD1 3.84Å; T210-F318 HydrophobicContact CG2-CE1 3.52Å; T210-H319 WeakPolarHBondContact CB-ND1 3.42Å; T210-H319 PolarHBondContact OG1-ND1 3.45Å; T210-M322 HydrophobicContact CG2-CB 4.46Å; T210-M322 HydrophobicContact CG2-CG 3.99Å
211	D	90.8	Very high	90.9	Very high	37 Å²	37	34.5 Å²	34.5	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-67.4	-45.4	175.2	57.4	-23.8	0	0	0	112	H209 L213 C214 Y215 W253 H319	H209-D211 VanDerWaalsContact C-N 3.29Å; H209-D211 PolarHBondContact O-N 3.36Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.47Å; D211-C214 WeakPolarHBondContact O-CB 3.46Å; D211-C214 PolarHBondContact O-N 3.43Å; D211-C214 VanDerWaalsContact O-N 3.11Å; D211-Y215 WeakPolarHBondContact O-CD2 3.37Å; D211-Y215 PolarHBondContact O-N 3.06Å; D211-Y215 VanDerWaalsContact O-N 3.07Å; D211-W253 HydrophobicContact CB-CH2 4.17Å; D211-W253 HydrophobicContact CB-CZ2 4.15Å; D211-H319 PolarHBondContact N-ND1 3.29Å
212	I	89.9	Confident	91.1	Very high	81 Å²	81	34.5 Å²	34.5	42%	0.415	19%	0.186	S	C	.	.	H	α-helix	trans	-60.7	-41.1	176.9	-59.8	176.9	0	0	0	110.5	H209 C214 Y215 F216	H209-I212 HydrophobicContact CB-CD1 4.19Å; H209-I212 PolarHBondContact O-N 2.97Å; I212-C214 VanDerWaalsContact C-N 3.32Å; I212-C214 PolarHBondContact O-N 3.25Å; I212-Y215 PolarHBondContact O-N 2.9Å; I212-F216 WeakPolarHBondContact O-CB 3.42Å; I212-F216 PolarHBondContact O-N 2.98Å
213	L	91.4	Very high	91.2	Very high	57 Å²	57	32.1 Å²	32.1	30%	0.298	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-40.6	175.5	-70.2	171.1	0	0	0	112	I206 H209 D211 F216 F217	I206-L213 HydrophobicContact CG2-CD1 3.73Å; H209-L213 PolarHBondContact O-N 3.13Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.47Å; L213-F216 PolarHBondContact O-N 3.32Å; L213-F217 HydrophobicContact CB-CE2 4.45Å; L213-F217 WeakPolarHBondContact O-CD2 3.11Å; L213-F217 PolarHBondContact O-N 2.57Å
214	C	94.4	Very high	91.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-44.3	175.9	-65.6	0	0	0	0	111.7	T210 D211 I212 F217 A218 W253 S315 L316 H319	T210-C214 PolarHBondContact O-N 2.9Å; T210-C214 PolarHBondContact O-SG 2.96Å; D211-C214 WeakPolarHBondContact O-CB 3.46Å; D211-C214 PolarHBondContact O-N 3.43Å; D211-C214 VanDerWaalsContact O-N 3.11Å; I212-C214 VanDerWaalsContact C-N 3.32Å; I212-C214 PolarHBondContact O-N 3.25Å; C214-F217 PolarHBondContact O-N 2.82Å; C214-A218 WeakPolarHBondContact O-CB 3.23Å; C214-A218 PolarHBondContact O-N 3.41Å; C214-W253 HydrophobicContact CB-CH2 4.13Å; C214-W253 HydrophobicContact CB-CZ3 3.87Å; C214-S315 PolarHBondContact SG-O 2.92Å; C214-S315 PolarHBondContact SG-OG 3.49Å; C214-L316 HydrophobicContact CB-CD2 4.02Å; C214-H319 VanDerWaalsContact SG-CB 3.51Å
215	Y	93.8	Very high	90.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-41.6	177.5	-58.2	-28.6	0	0	0	111.9	D211 I212 A218 I219 G241 N242 P248 F252 W253 L541	D211-Y215 WeakPolarHBondContact O-CD2 3.37Å; D211-Y215 PolarHBondContact O-N 3.06Å; D211-Y215 VanDerWaalsContact O-N 3.07Å; I212-Y215 PolarHBondContact O-N 2.9Å; Y215-A218 WeakPolarHBondContact O-CB 3.24Å; Y215-A218 PolarHBondContact O-N 3.41Å; Y215-I219 WeakPolarHBondContact O-CD1 3.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.42Å; Y215-I219 PolarHBondContact O-N 3.09Å; Y215-G241 VanDerWaalsContact OH-CA 3.27Å; Y215-G241 WeakPolarHBondContact OH-CA 3.44Å; Y215-G241 PolarHBondContact OH-O 2.5Å; Y215-N242 HydrophobicContact CD2-CB 4.49Å; Y215-N242 HydrophobicContact CE2-CB 4.05Å; Y215-P248 WeakPolarHBondContact OH-CG 3.44Å; Y215-F252 AromaticContact CE1-CE1 3.99Å; Y215-F252 HydrophobicContact CE1-CE1 3.99Å; Y215-F252 AromaticContact CE1-CZ 3.85Å; Y215-F252 HydrophobicContact CE1-CZ 3.85Å; Y215-W253 AromaticContact CE1-CH2 3.9Å; Y215-W253 HydrophobicContact CE1-CH2 3.9Å; Y215-L541 HydrophobicContact CD2-CD2 3.98Å; Y215-L541 HydrophobicContact CG-CD2 4.21Å
216	F	92.4	Very high	90.6	Very high	73 Å²	73	29.5 Å²	29.5	32%	0.32	15%	0.154	S	C	.	.	H	α-helix	trans	-59.5	-47.9	175.6	177.5	-99.5	0	0	0	111.8	I212 L213 A218 I219 M220 V534	I212-F216 WeakPolarHBondContact O-CB 3.42Å; I212-F216 PolarHBondContact O-N 2.98Å; L213-F216 PolarHBondContact O-N 3.32Å; F216-A218 VanDerWaalsContact C-N 3.32Å; F216-A218 PolarHBondContact O-N 3.21Å; F216-I219 PolarHBondContact O-N 3.04Å; F216-M220 HydrophobicContact CD1-CG 4.12Å; F216-M220 HydrophobicContact CD2-CE 4.5Å; F216-M220 HydrophobicContact CE1-CE 4.49Å; F216-M220 HydrophobicContact CE1-CG 3.66Å; F216-M220 HydrophobicContact CE1-SD 4.35Å; F216-M220 HydrophobicContact CE2-CE 3.74Å; F216-M220 HydrophobicContact CE2-CG 4.4Å; F216-M220 HydrophobicContact CZ-CE 3.73Å; F216-M220 HydrophobicContact CZ-CG 3.82Å; F216-M220 HydrophobicContact CZ-SD 3.98Å; F216-M220 WeakPolarHBondContact O-CG 3.4Å; F216-M220 PolarHBondContact O-N 3.45Å; F216-V534 HydrophobicContact CE2-CG1 4.5Å
217	F	94.2	Very high	90.3	Very high	46 Å²	46	25.7 Å²	25.7	20%	0.202	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-32.2	177.5	-69.1	-52.8	0	0	0	112.8	L213 C214 I219 M220 T221 W308 V311 L312	L213-F217 HydrophobicContact CB-CE2 4.45Å; L213-F217 WeakPolarHBondContact O-CD2 3.11Å; L213-F217 PolarHBondContact O-N 2.57Å; C214-F217 PolarHBondContact O-N 2.82Å; F217-I219 VanDerWaalsContact C-N 3.32Å; F217-I219 PolarHBondContact O-N 3.4Å; F217-M220 PolarHBondContact O-N 3.17Å; F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 PolarHBondContact O-N 2.88Å; F217-T221 PolarHBondContact O-OG1 3.48Å; F217-W308 HydrophobicContact CD1-CZ3 4.43Å; F217-V311 HydrophobicContact CD1-CG1 3.68Å; F217-V311 HydrophobicContact CD2-CG1 4.3Å; F217-V311 HydrophobicContact CE1-CG1 3.63Å; F217-V311 HydrophobicContact CE2-CG1 4.24Å; F217-V311 HydrophobicContact CG-CG1 4.04Å; F217-V311 HydrophobicContact CZ-CG1 3.92Å; F217-L312 HydrophobicContact CB-CB 4.23Å; F217-L312 HydrophobicContact CB-CD1 3.92Å
218	A	94.4	Very high	90.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-40.4	173.8	0	0	0	0	0	112	C214 Y215 F216 Q222 L233 M256 L312	C214-A218 WeakPolarHBondContact O-CB 3.23Å; C214-A218 PolarHBondContact O-N 3.41Å; Y215-A218 WeakPolarHBondContact O-CB 3.24Å; Y215-A218 PolarHBondContact O-N 3.41Å; F216-A218 VanDerWaalsContact C-N 3.32Å; F216-A218 PolarHBondContact O-N 3.21Å; A218-Q222 PolarHBondContact O-N 3.08Å; A218-L233 HydrophobicContact CB-CB 4.4Å; A218-M256 HydrophobicContact CB-CE 3.5Å; A218-M256 VanDerWaalsContact CB-CE 3.5Å; A218-L312 HydrophobicContact CB-CD1 4.14Å; A218-L312 HydrophobicContact CB-CD2 4.37Å
219	I	93.7	Very high	90.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-46	174.1	-66.8	159	0	0	0	110.5	Y215 F216 F217 T221 Q222 V223 P234 Y533 L541	Y215-I219 WeakPolarHBondContact O-CD1 3.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.42Å; Y215-I219 PolarHBondContact O-N 3.09Å; F216-I219 PolarHBondContact O-N 3.04Å; F217-I219 VanDerWaalsContact C-N 3.32Å; F217-I219 PolarHBondContact O-N 3.4Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.44Å; I219-Q222 PolarHBondContact O-N 2.88Å; I219-Q222 VanDerWaalsContact O-N 3.17Å; I219-V223 HydrophobicContact CG2-CG2 4.48Å; I219-V223 WeakPolarHBondContact O-CG2 3.24Å; I219-V223 PolarHBondContact O-N 2.96Å; I219-P234 HydrophobicContact CG1-CB 4.24Å; I219-Y533 HydrophobicContact CG2-CD1 4.27Å; I219-Y533 HydrophobicContact CG2-CE1 3.92Å; I219-L541 HydrophobicContact CD1-CD1 3.73Å; I219-L541 HydrophobicContact CD1-CG 4.25Å
220	M	92.1	Very high	90.7	Very high	16 Å²	16	25.8 Å²	25.8	8%	0.079	13%	0.132	C	C	.	.	H	α-helix	trans	-56.8	-44.1	176.8	-75.1	-63.5	112.9	0	0	112.2	F216 F217 Q222 V223 M224 W308 V534	F216-M220 HydrophobicContact CD1-CG 4.12Å; F216-M220 HydrophobicContact CD2-CE 4.5Å; F216-M220 HydrophobicContact CE1-CE 4.49Å; F216-M220 HydrophobicContact CE1-CG 3.66Å; F216-M220 HydrophobicContact CE1-SD 4.35Å; F216-M220 HydrophobicContact CE2-CE 3.74Å; F216-M220 HydrophobicContact CE2-CG 4.4Å; F216-M220 HydrophobicContact CZ-CE 3.73Å; F216-M220 HydrophobicContact CZ-CG 3.82Å; F216-M220 HydrophobicContact CZ-SD 3.98Å; F216-M220 WeakPolarHBondContact O-CG 3.4Å; F216-M220 PolarHBondContact O-N 3.45Å; F217-M220 PolarHBondContact O-N 3.17Å; M220-Q222 VanDerWaalsContact C-N 3.31Å; M220-Q222 PolarHBondContact O-N 3.13Å; M220-V223 PolarHBondContact O-N 3.25Å; M220-V223 VanDerWaalsContact O-N 3.16Å; M220-M224 VanDerWaalsContact O-CG 3.29Å; M220-M224 WeakPolarHBondContact O-CG 3.14Å; M220-M224 PolarHBondContact O-N 2.9Å; M220-W308 HydrophobicContact CB-CE3 3.94Å; M220-W308 HydrophobicContact CB-CZ3 4.09Å; M220-W308 HydrophobicContact CG-CZ3 4.22Å; M220-V534 HydrophobicContact CE-CB 3.92Å; M220-V534 HydrophobicContact CE-CG1 3.33Å; M220-V534 HydrophobicContact CE-CG2 3.25Å
221	T	92.6	Very high	90.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-42	177.9	-65.6	0	0	0	0	111.8	F217 I219 T225 T230 L233 W308 D309	F217-T221 WeakPolarHBondContact O-CB 3.44Å; F217-T221 PolarHBondContact O-N 2.88Å; F217-T221 PolarHBondContact O-OG1 3.48Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.44Å; T221-T225 VanDerWaalsContact O-CB 3.28Å; T221-T225 WeakPolarHBondContact O-CB 3.29Å; T221-T225 PolarHBondContact O-N 3.3Å; T221-T225 VanDerWaalsContact O-N 3.09Å; T221-T225 PolarHBondContact O-OG1 3.45Å; T221-T230 HydrophobicContact CG2-CG2 4.06Å; T221-L233 HydrophobicContact CG2-CD1 4.13Å; T221-W308 PolarHBondContact OG1-O 3.24Å; T221-D309 WeakPolarHBondContact CG2-OD1 3.27Å
222	Q	92.3	Very high	90.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-40.6	175.5	177.8	60.7	17.2	0	0	112.3	A218 I219 M220 G226 G227 T230 P234 F512 Y533	A218-Q222 PolarHBondContact O-N 3.08Å; I219-Q222 PolarHBondContact O-N 2.88Å; I219-Q222 VanDerWaalsContact O-N 3.17Å; M220-Q222 VanDerWaalsContact C-N 3.31Å; M220-Q222 PolarHBondContact O-N 3.13Å; Q222-G226 VanDerWaalsContact O-CA 3.26Å; Q222-G226 WeakPolarHBondContact O-CA 3.47Å; Q222-G226 PolarHBondContact O-N 3.1Å; Q222-G227 PolarHBondContact NE2-O 2.98Å; Q222-G227 VanDerWaalsContact NE2-O 3.11Å; Q222-G227 PolarHBondContact OE1-O 3.38Å; Q222-T230 PolarHBondContact OE1-O 3.32Å; Q222-T230 PolarHBondContact OE1-OG1 2.87Å; Q222-P234 HydrophobicContact CB-CG 3.84Å; Q222-P234 HydrophobicContact CG-CG 3.97Å; Q222-F512 HydrophobicContact CG-CE1 4.5Å; Q222-F512 HydrophobicContact CG-CE2 3.97Å; Q222-F512 HydrophobicContact CG-CZ 3.62Å; Q222-Y533 HydrophobicContact CG-CE1 4.3Å; Q222-Y533 WeakPolarHBondContact CG-OH 3.25Å
223	V	90.5	Very high	90.9	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-66.5	-41.9	-177.7	172	0	0	0	0	112.1	I219 M220 Q530 Y533 V534	I219-V223 HydrophobicContact CG2-CG2 4.48Å; I219-V223 WeakPolarHBondContact O-CG2 3.24Å; I219-V223 PolarHBondContact O-N 2.96Å; M220-V223 PolarHBondContact O-N 3.25Å; M220-V223 VanDerWaalsContact O-N 3.16Å; V223-Q530 HydrophobicContact CG1-CB 3.55Å; V223-Q530 HydrophobicContact CG1-CG 3.64Å; V223-Y533 HydrophobicContact CG2-CD1 3.19Å; V223-Y533 HydrophobicContact CG2-CE1 3.61Å; V223-Y533 HydrophobicContact CG2-CG 4.16Å; V223-V534 HydrophobicContact CB-CG2 4.39Å; V223-V534 HydrophobicContact CG1-CG2 4.16Å; V223-V534 HydrophobicContact CG2-CG2 3.69Å
224	M	88	Confident	90.9	Very high	65 Å²	65	20.6 Å²	20.6	32%	0.32	11%	0.108	S	C	.	.	H	α-helix	trans	-79.9	-31.9	-175.4	-62.5	-69.1	166.2	0	0	112	M220 R302 W308	M220-M224 VanDerWaalsContact O-CG 3.29Å; M220-M224 WeakPolarHBondContact O-CG 3.14Å; M220-M224 PolarHBondContact O-N 2.9Å; M224-R302 PolarHBondContact O-NH1 3.24Å; M224-W308 HydrophobicContact CB-CG 4.17Å; M224-W308 HydrophobicContact CE-CZ2 4.34Å; M224-W308 HydrophobicContact CG-CD2 4.21Å; M224-W308 HydrophobicContact CG-CG 4.1Å; M224-W308 HydrophobicContact CG-CZ2 4.43Å
225	T	85	Confident	90.8	Very high	16 Å²	16	22.7 Å²	22.7	10%	0.098	12%	0.119	C	C	.	.	H	α-helix	trans	-86.8	-39.3	177.7	-48.6	0	0	0	0	112.2	T221 G227 T230 K267 G298 I524	T221-T225 VanDerWaalsContact O-CB 3.28Å; T221-T225 WeakPolarHBondContact O-CB 3.29Å; T221-T225 PolarHBondContact O-N 3.3Å; T221-T225 VanDerWaalsContact O-N 3.09Å; T221-T225 PolarHBondContact O-OG1 3.45Å; T225-G227 PolarHBondContact O-N 3.43Å; T225-T230 HydrophobicContact CG2-CG2 3.96Å; T225-K267 VanDerWaalsContact CG2-CE 3.49Å; T225-K267 VanDerWaalsContact CG2-NZ 3.32Å; T225-K267 PolarHBondContact OG1-NZ 3.24Å; T225-G298 WeakPolarHBondContact CG2-O 3.48Å; T225-I524 WeakPolarHBondContact O-CD1 3.31Å
226	G	81.3	Confident	90.8	Very high	11 Å²	11	24 Å²	24	11%	0.113	13%	0.125	C	C	.	.			trans	65.7	11.4	-178.9	0	0	0	0	0	115.9	Q222	Q222-G226 VanDerWaalsContact O-CA 3.26Å; Q222-G226 WeakPolarHBondContact O-CA 3.47Å; Q222-G226 PolarHBondContact O-N 3.1Å
227	G	83.7	Confident	90.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.11	C	C	.	.			trans	-91.7	154.4	-171.1	0	0	0	0	0	114.7	Q222 T225 I229 T230 L231 G298	Q222-G227 PolarHBondContact NE2-O 2.98Å; Q222-G227 VanDerWaalsContact NE2-O 3.11Å; Q222-G227 PolarHBondContact OE1-O 3.38Å; T225-G227 PolarHBondContact O-N 3.43Å; G227-I229 PolarHBondContact O-N 2.99Å; G227-T230 PolarHBondContact O-N 3.37Å; G227-T230 PolarHBondContact O-OG1 3.07Å; G227-T230 VanDerWaalsContact O-OG1 3.06Å; G227-L231 PolarHBondContact O-N 3.05Å; G227-G298 VanDerWaalsContact CA-CA 3.5Å
228	L	87.7	Confident	90.6	Very high	83 Å²	83	18.3 Å²	18.3	44%	0.435	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.6	168.7	-159.3	75	0	0	0	112.3	L231 L296 F297	L228-L231 HydrophobicContact CD1-CD2 3.82Å; L228-L231 VanDerWaalsContact O-CB 3.24Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.42Å; L228-L296 WeakPolarHBondContact CB-O 3.27Å; L228-L296 PolarHBondContact N-O 3.33Å; L228-F297 HydrophobicContact CB-CD1 4.26Å; L228-F297 HydrophobicContact CD2-CD1 4.44Å; L228-F297 HydrophobicContact CD2-CE1 4.07Å
229	I	91.4	Very high	90.4	Very high	34 Å²	34	21.3 Å²	21.3	17%	0.174	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.6	177.9	-63.9	177.6	0	0	0	111.6	G227 L231 P232 Y259 V263 I266 F297 V299	G227-I229 PolarHBondContact O-N 2.99Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-P232 WeakPolarHBondContact O-CD 3.36Å; I229-Y259 PolarHBondContact O-OH 3.48Å; I229-V263 HydrophobicContact CG2-CB 4.48Å; I229-V263 HydrophobicContact CG2-CG1 4.12Å; I229-V263 HydrophobicContact CG2-CG2 3.88Å; I229-I266 HydrophobicContact CD1-CG2 4.11Å; I229-F297 HydrophobicContact CD1-CB 4.16Å; I229-F297 HydrophobicContact CG1-CB 4.31Å; I229-F297 HydrophobicContact CG1-CD1 4.15Å; I229-F297 WeakPolarHBondContact CG1-O 3.34Å; I229-V299 HydrophobicContact CD1-CG2 3.69Å
230	T	91.8	Very high	90.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.8	176.9	44.1	0	0	0	0	112.4	T221 Q222 T225 G227 P232 L233 P234 V263	T221-T230 HydrophobicContact CG2-CG2 4.06Å; Q222-T230 PolarHBondContact OE1-O 3.32Å; Q222-T230 PolarHBondContact OE1-OG1 2.87Å; T225-T230 HydrophobicContact CG2-CG2 3.96Å; G227-T230 PolarHBondContact O-N 3.37Å; G227-T230 PolarHBondContact O-OG1 3.07Å; G227-T230 VanDerWaalsContact O-OG1 3.06Å; T230-P232 VanDerWaalsContact C-CD 3.5Å; T230-L233 HydrophobicContact CG2-CD1 4.46Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 2.9Å; T230-L233 VanDerWaalsContact O-N 3.09Å; T230-P234 WeakPolarHBondContact O-CD 3.23Å; T230-V263 HydrophobicContact CG2-CG1 3.99Å
231	L	91.1	Very high	90	Very high	33 Å²	33	24.5 Å²	24.5	17%	0.173	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.6	-175.1	-172.3	77.9	0	0	0	114	G227 L228 I229 L233 P234 L235 H508 F512	G227-L231 PolarHBondContact O-N 3.05Å; L228-L231 HydrophobicContact CD1-CD2 3.82Å; L228-L231 VanDerWaalsContact O-CB 3.24Å; L228-L231 WeakPolarHBondContact O-CB 3.48Å; L228-L231 PolarHBondContact O-N 3.42Å; I229-L231 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 3.3Å; L231-P234 WeakPolarHBondContact O-CD 3.37Å; L231-P234 VanDerWaalsContact O-CG 3.29Å; L231-P234 WeakPolarHBondContact O-CG 3.34Å; L231-L235 HydrophobicContact CD2-CD1 4.11Å; L231-L235 HydrophobicContact CG-CD1 3.91Å; L231-L235 HydrophobicContact CG-CG 4.39Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.15Å; L231-H508 HydrophobicContact CD1-CB 4.29Å; L231-H508 WeakPolarHBondContact CD1-CD2 3.43Å; L231-F512 HydrophobicContact CD1-CD2 4.4Å; L231-F512 HydrophobicContact CD1-CE2 4.48Å
232	P	93.5	Very high	89.8	Confident	42 Å²	42	25 Å²	25	27%	0.273	13%	0.128	S	C	.	.	H	α-helix	trans	-64.4	-23.8	179.3	-28.6	41.6	0	0	0	114.1	I229 T230 L235 M236 Y259	I229-P232 WeakPolarHBondContact O-CD 3.36Å; T230-P232 VanDerWaalsContact C-CD 3.5Å; P232-L235 PolarHBondContact O-N 2.95Å; P232-M236 VanDerWaalsContact O-CB 3.32Å; P232-M236 WeakPolarHBondContact O-CB 3.47Å; P232-M236 VanDerWaalsContact O-CG 3.22Å; P232-M236 WeakPolarHBondContact O-CG 3.44Å; P232-M236 PolarHBondContact O-N 3.36Å; P232-Y259 HydrophobicContact CB-CE1 3.91Å; P232-Y259 WeakPolarHBondContact CD-OH 3.25Å; P232-Y259 HydrophobicContact CG-CE1 4.26Å; P232-Y259 VanDerWaalsContact CG-OH 3.25Å; P232-Y259 WeakPolarHBondContact CG-OH 3.32Å
233	L	93.1	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-59.2	179.2	-66.9	168.2	0	0	0	112.5	A218 T221 T230 L231 L235 M236 S237 M256 Y259 L312	A218-L233 HydrophobicContact CB-CB 4.4Å; T221-L233 HydrophobicContact CG2-CD1 4.13Å; T230-L233 HydrophobicContact CG2-CD1 4.46Å; T230-L233 WeakPolarHBondContact O-CB 3.44Å; T230-L233 PolarHBondContact O-N 2.9Å; T230-L233 VanDerWaalsContact O-N 3.09Å; L231-L233 PolarHBondContact O-N 3.3Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 PolarHBondContact O-N 3.02Å; L233-M236 PolarHBondContact O-N 2.97Å; L233-S237 PolarHBondContact O-N 3.39Å; L233-S237 VanDerWaalsContact O-N 3.13Å; L233-M256 HydrophobicContact CB-CE 4.07Å; L233-M256 HydrophobicContact CD2-CE 3.72Å; L233-M256 HydrophobicContact CD2-SD 3.8Å; L233-Y259 HydrophobicContact CD2-CD1 3.61Å; L233-Y259 HydrophobicContact CD2-CE1 4.27Å; L233-Y259 HydrophobicContact CG-CD1 3.89Å; L233-Y259 HydrophobicContact CG-CE1 4.03Å; L233-L312 HydrophobicContact CD1-CD2 4Å; L233-L312 HydrophobicContact CD2-CD2 4.32Å
234	P	92.3	Very high	89.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-37.6	175.8	25.5	-35	0	0	0	111.8	I219 Q222 T230 L231 M236 S237 L238	I219-P234 HydrophobicContact CG1-CB 4.24Å; Q222-P234 HydrophobicContact CB-CG 3.84Å; Q222-P234 HydrophobicContact CG-CG 3.97Å; T230-P234 WeakPolarHBondContact O-CD 3.23Å; L231-P234 WeakPolarHBondContact O-CD 3.37Å; L231-P234 VanDerWaalsContact O-CG 3.29Å; L231-P234 WeakPolarHBondContact O-CG 3.34Å; P234-M236 PolarHBondContact O-N 2.89Å; P234-S237 WeakPolarHBondContact CA-OG 3.23Å; P234-S237 PolarHBondContact O-N 3.47Å; P234-S237 VanDerWaalsContact O-N 3.11Å; P234-S237 PolarHBondContact O-OG 3.23Å; P234-L238 WeakPolarHBondContact O-CB 3.29Å; P234-L238 VanDerWaalsContact O-CG 3.29Å; P234-L238 WeakPolarHBondContact O-CG 3.27Å; P234-L238 PolarHBondContact O-N 2.96Å
235	L	92.8	Very high	88.7	Confident	46 Å²	46	24 Å²	24	24%	0.241	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-43.2	178.6	-66.4	-179.9	0	0	0	112.4	L231 P232 L233 S237 L238 F239 I504	L231-L235 HydrophobicContact CD2-CD1 4.11Å; L231-L235 HydrophobicContact CG-CD1 3.91Å; L231-L235 HydrophobicContact CG-CG 4.39Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.15Å; P232-L235 PolarHBondContact O-N 2.95Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 PolarHBondContact O-N 3.02Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.44Å; L235-L238 PolarHBondContact O-N 3.06Å; L235-F239 HydrophobicContact CB-CD2 4.33Å; L235-F239 HydrophobicContact CD2-CD2 4.33Å; L235-F239 HydrophobicContact CD2-CE2 3.85Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 3.33Å; L235-I504 HydrophobicContact CD2-CG2 3.83Å
236	M	92.7	Very high	88.1	Confident	31 Å²	31	28.4 Å²	28.4	15%	0.153	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-42.1	173.2	-76.2	176.7	60.4	0	0	111.4	P232 L233 P234 W240 G241 F252 T255 M256	P232-M236 VanDerWaalsContact O-CB 3.32Å; P232-M236 WeakPolarHBondContact O-CB 3.47Å; P232-M236 VanDerWaalsContact O-CG 3.22Å; P232-M236 WeakPolarHBondContact O-CG 3.44Å; P232-M236 PolarHBondContact O-N 3.36Å; L233-M236 PolarHBondContact O-N 2.97Å; P234-M236 PolarHBondContact O-N 2.89Å; M236-W240 WeakPolarHBondContact O-CA 3.48Å; M236-W240 WeakPolarHBondContact O-CB 3.05Å; M236-W240 PolarHBondContact O-N 3.27Å; M236-G241 PolarHBondContact O-N 2.73Å; M236-F252 HydrophobicContact CB-CE2 4.23Å; M236-F252 HydrophobicContact CE-CE2 4.48Å; M236-F252 WeakPolarHBondContact O-CE2 3.43Å; M236-T255 HydrophobicContact CE-CG2 3.66Å; M236-T255 HydrophobicContact SD-CG2 4.49Å; M236-M256 HydrophobicContact CB-SD 4.38Å; M236-M256 HydrophobicContact CE-CB 4.41Å; M236-M256 HydrophobicContact CE-SD 4.21Å
237	S	92.2	Very high	88	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-63.5	-41.4	177.8	76.5	0	0	0	0	112.9	L233 P234 L235 N242	L233-S237 PolarHBondContact O-N 3.39Å; L233-S237 VanDerWaalsContact O-N 3.13Å; P234-S237 WeakPolarHBondContact CA-OG 3.23Å; P234-S237 PolarHBondContact O-N 3.47Å; P234-S237 VanDerWaalsContact O-N 3.11Å; P234-S237 PolarHBondContact O-OG 3.23Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.44Å; S237-N242 WeakPolarHBondContact O-CB 3.41Å; S237-N242 PolarHBondContact O-N 2.98Å
238	L	91.4	Very high	88	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-81.1	-38.5	-174.4	-67.1	176.3	0	0	0	112.8	P234 L235 I504 F540 L541	P234-L238 WeakPolarHBondContact O-CB 3.29Å; P234-L238 VanDerWaalsContact O-CG 3.29Å; P234-L238 WeakPolarHBondContact O-CG 3.27Å; P234-L238 PolarHBondContact O-N 2.96Å; L235-L238 PolarHBondContact O-N 3.06Å; L238-I504 HydrophobicContact CB-CD1 4Å; L238-I504 HydrophobicContact CD1-CD1 4.19Å; L238-I504 HydrophobicContact CD1-CG1 4.33Å; L238-I504 HydrophobicContact CD1-CG2 4.31Å; L238-F540 HydrophobicContact CD1-CB 4.43Å; L238-F540 HydrophobicContact CD1-CD2 4.49Å; L238-F540 HydrophobicContact CD2-CB 3.76Å; L238-L541 HydrophobicContact CD2-CD2 3.79Å; L238-L541 HydrophobicContact CD2-CG 4.02Å
239	F	89	Confident	87.9	Confident	63 Å²	63	30.2 Å²	30.2	28%	0.276	16%	0.158	S	C	.	.	I	π-helix	trans	-94.5	-27.5	-176.7	-68.7	-46.2	0	0	0	114.9	L235 L243 V501 I504	L235-F239 HydrophobicContact CB-CD2 4.33Å; L235-F239 HydrophobicContact CD2-CD2 4.33Å; L235-F239 HydrophobicContact CD2-CE2 3.85Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 3.33Å; F239-L243 WeakPolarHBondContact O-CD1 3.39Å; F239-V501 HydrophobicContact CD1-CG2 4.33Å; F239-V501 HydrophobicContact CE1-CB 4.21Å; F239-V501 HydrophobicContact CE1-CG1 4.38Å; F239-V501 HydrophobicContact CE1-CG2 3.76Å; F239-V501 HydrophobicContact CZ-CG1 4.37Å; F239-I504 HydrophobicContact CD1-CD1 4.19Å; F239-I504 HydrophobicContact CE1-CB 4.21Å; F239-I504 HydrophobicContact CE1-CD1 3.56Å; F239-I504 HydrophobicContact CE1-CG1 4.48Å; F239-I504 HydrophobicContact CE1-CG2 4.19Å; F239-I504 HydrophobicContact CE2-CG2 3.93Å; F239-I504 HydrophobicContact CZ-CB 3.83Å; F239-I504 HydrophobicContact CZ-CD1 4Å; F239-I504 HydrophobicContact CZ-CG2 3.49Å; F239-I504 VanDerWaalsContact CZ-CG2 3.49Å
240	W	89.1	Confident	87.7	Confident	83 Å²	83	32 Å²	32	31%	0.314	17%	0.165	S	C	.	.	I	π-helix	trans	-116.7	-53.9	-174.5	-170.1	3.3	0	0	0	112.3	M236 S244 F251 F252	M236-W240 WeakPolarHBondContact O-CA 3.48Å; M236-W240 WeakPolarHBondContact O-CB 3.05Å; M236-W240 PolarHBondContact O-N 3.27Å; W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.95Å; W240-F251 AromaticContact CH2-CD1 3.45Å; W240-F251 HydrophobicContact CH2-CD1 3.45Å; W240-F251 VanDerWaalsContact CH2-CD1 3.45Å; W240-F251 AromaticContact CH2-CE1 3.54Å; W240-F251 HydrophobicContact CH2-CE1 3.54Å; W240-F251 AromaticContact CZ2-CD1 3.74Å; W240-F251 HydrophobicContact CZ2-CD1 3.74Å; W240-F251 HydrophobicContact CZ2-CE1 4.23Å; W240-F252 HydrophobicContact CB-CD2 4.1Å; W240-F252 HydrophobicContact CB-CE2 4.26Å; W240-F252 HydrophobicContact CD2-CB 4.41Å; W240-F252 AromaticContact CD2-CD2 3.81Å; W240-F252 HydrophobicContact CD2-CD2 3.81Å; W240-F252 HydrophobicContact CE3-CD2 4.05Å; W240-F252 AromaticContact CG-CD2 3.84Å; W240-F252 HydrophobicContact CG-CD2 3.84Å; W240-F252 HydrophobicContact CG-CE2 4.47Å; W240-F252 HydrophobicContact CZ2-CB 4.43Å
241	G	87.9	Confident	87.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-57.8	-63.3	-178	0	0	0	0	0	111.2	Y215 M236 L243 S244 F252	Y215-G241 VanDerWaalsContact OH-CA 3.27Å; Y215-G241 WeakPolarHBondContact OH-CA 3.44Å; Y215-G241 PolarHBondContact OH-O 2.5Å; M236-G241 PolarHBondContact O-N 2.73Å; G241-L243 PolarHBondContact O-N 3.22Å; G241-S244 PolarHBondContact O-N 3.13Å; G241-S244 PolarHBondContact O-OG 2.86Å; G241-F252 VanDerWaalsContact CA-CZ 3.43Å
242	N	88.6	Confident	87.6	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.059	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.3	-170.1	-160.2	33	0	0	0	114.7	Y215 S237 S244 L541 A544	Y215-N242 HydrophobicContact CD2-CB 4.49Å; Y215-N242 HydrophobicContact CE2-CB 4.05Å; S237-N242 WeakPolarHBondContact O-CB 3.41Å; S237-N242 PolarHBondContact O-N 2.98Å; N242-S244 VanDerWaalsContact C-N 3.32Å; N242-L541 HydrophobicContact CB-CD2 4.25Å; N242-L541 VanDerWaalsContact ND2-CA 3.34Å; N242-L541 WeakPolarHBondContact ND2-CA 3.24Å; N242-L541 PolarHBondContact ND2-O 3.3Å; N242-A544 HydrophobicContact CB-CB 4.05Å; N242-A544 WeakPolarHBondContact ND2-CB 3.17Å
243	L	87.9	Confident	87.6	Confident	6 Å²	6	35 Å²	35	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.7	175.1	-73.6	175.1	0	0	0	113.2	F239 G241 F412 L416 L497 A544 I547	F239-L243 WeakPolarHBondContact O-CD1 3.39Å; G241-L243 PolarHBondContact O-N 3.22Å; L243-F412 HydrophobicContact CB-CE1 4.41Å; L243-F412 HydrophobicContact CB-CZ 3.94Å; L243-L416 HydrophobicContact CD2-CD2 4.42Å; L243-L416 VanDerWaalsContact O-CD1 3.31Å; L243-L416 WeakPolarHBondContact O-CD1 3.19Å; L243-L497 HydrophobicContact CD1-CD1 3.78Å; L243-L497 HydrophobicContact CD2-CD1 4.27Å; L243-A544 HydrophobicContact CD2-CB 3.69Å; L243-A544 HydrophobicContact CG-CB 3.99Å; L243-I547 HydrophobicContact CD2-CB 4.08Å; L243-I547 HydrophobicContact CD2-CD1 4.24Å; L243-I547 HydrophobicContact CD2-CG2 3.91Å
244	S	84.6	Confident	87.6	Confident	8 Å²	8	37.9 Å²	37.9	6%	0.056	19%	0.19	C	C	.	.	S	Bend	trans	-72.7	133	178.5	65.1	0	0	0	0	112.6	W240 G241 N242 R247 P248 R548	W240-S244 WeakPolarHBondContact O-CB 3.43Å; W240-S244 PolarHBondContact O-N 2.95Å; G241-S244 PolarHBondContact O-N 3.13Å; G241-S244 PolarHBondContact O-OG 2.86Å; N242-S244 VanDerWaalsContact C-N 3.32Å; S244-R247 VanDerWaalsContact OG-C 3.26Å; S244-P248 WeakPolarHBondContact OG-CA 3.49Å; S244-P248 WeakPolarHBondContact OG-CD 3.39Å; S244-P248 WeakPolarHBondContact OG-CG 3.37Å; S244-R548 VanDerWaalsContact O-CD 3.32Å; S244-R548 WeakPolarHBondContact O-CD 3.48Å
245	N	76.1	Confident	87.6	Confident	36 Å²	36	39.8 Å²	39.8	19%	0.193	20%	0.202	C	C	.	.	S	Bend	trans	-117.7	131	179.1	-163.8	-21.5	0	0	0	110.5	P419 R548	N245-P419 WeakPolarHBondContact ND2-CB 3.47Å; N245-R548 HydrophobicContact CB-CG 3.92Å; N245-R548 PolarHBondContact ND2-O 3.39Å
246	P	72.1	Confident	87.7	Confident	108 Å²	108	37.7 Å²	37.7	70%	0.701	19%	0.191	S	C	*	.	S	Bend	cis	-80.1	-16.8	-7.3	30.4	-33.7	0	0	0	114.3
247	R	78.5	Confident	87.8	Confident	75 Å²	75	36.7 Å²	36.7	28%	0.283	19%	0.186	S	C	.	.	S	Bend	trans	-151.3	157.9	-178.3	53.4	172.7	-103.9	-145.1	-10.6	112	S244 L328 K330	S244-R247 VanDerWaalsContact OG-C 3.26Å; R247-L328 PolarHBondContact NH1-O 3.42Å; R247-L328 PolarHBondContact NH2-O 3.35Å; R247-K330 PolarHBondContact NH2-O 2.72Å
248	P	85.2	Confident	87.9	Confident	9 Å²	9	40 Å²	40	6%	0.058	21%	0.206	C	C	.	.			trans	-63.4	145.9	176.3	-15.9	26	0	0	0	112.1	Y215 S244 F252 W253	Y215-P248 WeakPolarHBondContact OH-CG 3.44Å; S244-P248 WeakPolarHBondContact OG-CA 3.49Å; S244-P248 WeakPolarHBondContact OG-CD 3.39Å; S244-P248 WeakPolarHBondContact OG-CG 3.37Å; P248-F252 HydrophobicContact CB-CB 4.24Å; P248-F252 HydrophobicContact CB-CD1 3.44Å; P248-F252 VanDerWaalsContact CB-CD1 3.44Å; P248-F252 HydrophobicContact CB-CE1 4.08Å; P248-F252 HydrophobicContact CB-CG 4.02Å; P248-F252 HydrophobicContact CG-CD1 4.21Å; P248-F252 HydrophobicContact CG-CE1 4.37Å; P248-W253 HydrophobicContact CB-CZ2 4.42Å; P248-W253 HydrophobicContact CG-CZ2 3.94Å
249	S	84.8	Confident	88.2	Confident	49 Å²	49	43.2 Å²	43.2	34%	0.343	22%	0.219	S	C	.	.			trans	-64.8	157	175	70.4	0	0	0	0	110.9	F251 F252	S249-F251 PolarHBondContact O-N 3.33Å; S249-F252 WeakPolarHBondContact O-CB 3.37Å; S249-F252 PolarHBondContact O-N 3.07Å; S249-F252 PolarHBondContact OG-N 2.99Å
250	K	88	Confident	88.4	Confident	71 Å²	71	40.2 Å²	40.2	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-58	-35.9	170.8	176.5	-175	160.7	-158.7	0	111.4	F252 W253 V254 W329 D331	K250-F252 VanDerWaalsContact C-N 3.32Å; K250-F252 PolarHBondContact O-N 3.49Å; K250-W253 PolarHBondContact O-N 3.08Å; K250-V254 HydrophobicContact CG-CG2 4.32Å; K250-V254 WeakPolarHBondContact O-CG2 3.3Å; K250-V254 PolarHBondContact O-N 3.48Å; K250-W329 HydrophobicContact CG-CZ2 4.28Å; K250-D331 WeakPolarHBondContact CB-OD1 3.41Å; K250-D331 IonicContact NZ-OD2 2.97Å; K250-D331 PolarHBondContact NZ-OD2 3.41Å
251	F	88.4	Confident	88.7	Confident	134 Å²	134	40.1 Å²	40.1	59%	0.588	21%	0.208	S	C	*	.	H	α-helix	trans	-60	-40.9	178.2	-176.3	-118.5	0	0	0	112.3	W240 S249 V254 T255	W240-F251 AromaticContact CH2-CD1 3.45Å; W240-F251 HydrophobicContact CH2-CD1 3.45Å; W240-F251 VanDerWaalsContact CH2-CD1 3.45Å; W240-F251 AromaticContact CH2-CE1 3.54Å; W240-F251 HydrophobicContact CH2-CE1 3.54Å; W240-F251 AromaticContact CZ2-CD1 3.74Å; W240-F251 HydrophobicContact CZ2-CD1 3.74Å; W240-F251 HydrophobicContact CZ2-CE1 4.23Å; S249-F251 PolarHBondContact O-N 3.33Å; F251-V254 PolarHBondContact O-N 3.25Å; F251-T255 WeakPolarHBondContact O-CB 3.32Å; F251-T255 PolarHBondContact O-N 3.06Å; F251-T255 PolarHBondContact O-OG1 3.16Å
252	F	91	Very high	89	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-52.5	174.6	166.4	-98.4	0	0	0	111.7	Y215 M236 W240 G241 P248 S249 K250 V254 T255 M256	Y215-F252 AromaticContact CE1-CE1 3.99Å; Y215-F252 HydrophobicContact CE1-CE1 3.99Å; Y215-F252 AromaticContact CE1-CZ 3.85Å; Y215-F252 HydrophobicContact CE1-CZ 3.85Å; M236-F252 HydrophobicContact CB-CE2 4.23Å; M236-F252 HydrophobicContact CE-CE2 4.48Å; M236-F252 WeakPolarHBondContact O-CE2 3.43Å; W240-F252 HydrophobicContact CB-CD2 4.1Å; W240-F252 HydrophobicContact CB-CE2 4.26Å; W240-F252 HydrophobicContact CD2-CB 4.41Å; W240-F252 AromaticContact CD2-CD2 3.81Å; W240-F252 HydrophobicContact CD2-CD2 3.81Å; W240-F252 HydrophobicContact CE3-CD2 4.05Å; W240-F252 AromaticContact CG-CD2 3.84Å; W240-F252 HydrophobicContact CG-CD2 3.84Å; W240-F252 HydrophobicContact CG-CE2 4.47Å; W240-F252 HydrophobicContact CZ2-CB 4.43Å; G241-F252 VanDerWaalsContact CA-CZ 3.43Å; P248-F252 HydrophobicContact CB-CB 4.24Å; P248-F252 HydrophobicContact CB-CD1 3.44Å; P248-F252 VanDerWaalsContact CB-CD1 3.44Å; P248-F252 HydrophobicContact CB-CE1 4.08Å; P248-F252 HydrophobicContact CB-CG 4.02Å; P248-F252 HydrophobicContact CG-CD1 4.21Å; P248-F252 HydrophobicContact CG-CE1 4.37Å; S249-F252 WeakPolarHBondContact O-CB 3.37Å; S249-F252 PolarHBondContact O-N 3.07Å; S249-F252 PolarHBondContact OG-N 2.99Å; K250-F252 VanDerWaalsContact C-N 3.32Å; K250-F252 PolarHBondContact O-N 3.49Å; F252-V254 PolarHBondContact O-N 3.29Å; F252-T255 PolarHBondContact O-N 3.43Å; F252-M256 PolarHBondContact O-N 2.76Å
253	W	93.4	Very high	89.2	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-39.2	-177.6	-68.8	113	0	0	0	113.3	D211 C214 Y215 P248 K250 M256 I257 L316 H319 W329	D211-W253 HydrophobicContact CB-CH2 4.17Å; D211-W253 HydrophobicContact CB-CZ2 4.15Å; C214-W253 HydrophobicContact CB-CH2 4.13Å; C214-W253 HydrophobicContact CB-CZ3 3.87Å; Y215-W253 AromaticContact CE1-CH2 3.9Å; Y215-W253 HydrophobicContact CE1-CH2 3.9Å; P248-W253 HydrophobicContact CB-CZ2 4.42Å; P248-W253 HydrophobicContact CG-CZ2 3.94Å; K250-W253 PolarHBondContact O-N 3.08Å; W253-M256 PolarHBondContact O-N 3.21Å; W253-I257 VanDerWaalsContact O-CG1 3.31Å; W253-I257 WeakPolarHBondContact O-CG1 3.29Å; W253-I257 PolarHBondContact O-N 3.4Å; W253-L316 HydrophobicContact CE3-CD2 3.89Å; W253-L316 HydrophobicContact CZ3-CD2 3.77Å; W253-H319 AromaticContact CD2-CD2 3.63Å; W253-H319 AromaticContact CD2-NE2 3.89Å; W253-H319 AromaticContact CE2-CD2 3.43Å; W253-H319 VanDerWaalsContact CE2-CD2 3.43Å; W253-H319 AromaticContact CE2-NE2 3.18Å; W253-H319 AromaticContact CE3-CD2 3.73Å; W253-H319 AromaticContact CH2-CD2 3.5Å; W253-H319 AromaticContact CH2-NE2 3.59Å; W253-H319 AromaticContact CZ2-CD2 3.39Å; W253-H319 WeakPolarHBondContact CZ2-CD2 3.22Å; W253-H319 AromaticContact CZ2-CE1 3.9Å; W253-H319 AromaticContact CZ2-NE2 3.02Å; W253-H319 WeakPolarHBondContact CZ2-NE2 3.32Å; W253-H319 AromaticContact CZ3-CD2 3.66Å; W253-H319 AromaticContact NE1-NE2 3.57Å; W253-W329 HydrophobicContact CB-CH2 3.65Å; W253-W329 HydrophobicContact CB-CZ3 3.78Å; W253-W329 HydrophobicContact CG-CH2 4.5Å; W253-W329 HydrophobicContact CG-CZ3 4.14Å
254	V	93.2	Very high	89.5	Confident	60 Å²	60	44 Å²	44	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-63.5	-44.7	175.3	173.9	0	0	0	0	110.3	K250 F251 F252 M256 I257 T258 W329	K250-V254 HydrophobicContact CG-CG2 4.32Å; K250-V254 WeakPolarHBondContact O-CG2 3.3Å; K250-V254 PolarHBondContact O-N 3.48Å; F251-V254 PolarHBondContact O-N 3.25Å; F252-V254 PolarHBondContact O-N 3.29Å; V254-M256 VanDerWaalsContact C-N 3.34Å; V254-M256 PolarHBondContact O-N 3.14Å; V254-I257 PolarHBondContact O-N 2.94Å; V254-T258 WeakPolarHBondContact O-CB 3.44Å; V254-T258 PolarHBondContact O-N 3.45Å; V254-T258 PolarHBondContact O-OG1 3.13Å; V254-T258 VanDerWaalsContact O-OG1 3.1Å; V254-W329 HydrophobicContact CG2-CH2 4.41Å; V254-W329 HydrophobicContact CG2-CZ2 3.99Å
255	T	93.9	Very high	89.9	Confident	41 Å²	41	47.9 Å²	47.9	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-42.7	177.5	-52.8	0	0	0	0	111.4	M236 F251 F252 I257 T258 Y259	M236-T255 HydrophobicContact CE-CG2 3.66Å; M236-T255 HydrophobicContact SD-CG2 4.49Å; F251-T255 WeakPolarHBondContact O-CB 3.32Å; F251-T255 PolarHBondContact O-N 3.06Å; F251-T255 PolarHBondContact O-OG1 3.16Å; F252-T255 PolarHBondContact O-N 3.43Å; T255-I257 PolarHBondContact O-N 3.41Å; T255-T258 PolarHBondContact O-N 3.33Å; T255-Y259 VanDerWaalsContact O-CB 3.26Å; T255-Y259 WeakPolarHBondContact O-CB 3.27Å; T255-Y259 PolarHBondContact O-N 3.48Å
256	M	93.7	Very high	90.6	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-43.1	178	-166.6	69.5	172.3	0	0	112.4	A218 L233 M236 F252 W253 V254 T260 L316	A218-M256 HydrophobicContact CB-CE 3.5Å; A218-M256 VanDerWaalsContact CB-CE 3.5Å; L233-M256 HydrophobicContact CB-CE 4.07Å; L233-M256 HydrophobicContact CD2-CE 3.72Å; L233-M256 HydrophobicContact CD2-SD 3.8Å; M236-M256 HydrophobicContact CB-SD 4.38Å; M236-M256 HydrophobicContact CE-CB 4.41Å; M236-M256 HydrophobicContact CE-SD 4.21Å; F252-M256 PolarHBondContact O-N 2.76Å; W253-M256 PolarHBondContact O-N 3.21Å; V254-M256 VanDerWaalsContact C-N 3.34Å; V254-M256 PolarHBondContact O-N 3.14Å; M256-T260 WeakPolarHBondContact O-CB 3.46Å; M256-T260 PolarHBondContact O-N 3.34Å; M256-T260 VanDerWaalsContact O-N 3.07Å; M256-T260 PolarHBondContact O-OG1 3.16Å; M256-L316 HydrophobicContact CB-CD2 4.37Å; M256-L316 HydrophobicContact CG-CD1 3.94Å; M256-L316 HydrophobicContact CG-CD2 3.75Å
257	I	95	Very high	91.5	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-52.9	176.8	-68.7	165	0	0	0	110.3	W253 V254 T255 Y259 T260 E261 L313 L316 F317	W253-I257 VanDerWaalsContact O-CG1 3.31Å; W253-I257 WeakPolarHBondContact O-CG1 3.29Å; W253-I257 PolarHBondContact O-N 3.4Å; V254-I257 PolarHBondContact O-N 2.94Å; T255-I257 PolarHBondContact O-N 3.41Å; I257-Y259 VanDerWaalsContact C-N 3.31Å; I257-Y259 PolarHBondContact O-N 2.91Å; I257-T260 PolarHBondContact O-N 2.89Å; I257-E261 WeakPolarHBondContact O-CG 3.37Å; I257-E261 PolarHBondContact O-N 3.22Å; I257-L313 HydrophobicContact CG2-CD1 4.33Å; I257-L316 HydrophobicContact CD1-CB 4.43Å; I257-L316 HydrophobicContact CG1-CB 3.78Å; I257-L316 HydrophobicContact CG1-CD1 4.14Å; I257-L316 HydrophobicContact CG1-CG 4.44Å; I257-F317 HydrophobicContact CG2-CE2 4.29Å; I257-F317 HydrophobicContact CG2-CZ 4.09Å
258	T	95.4	Very high	92.1	Very high	69 Å²	69	47 Å²	47	42%	0.423	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-40.8	-178.6	-59.9	0	0	0	0	111.7	V254 T255 E261 C262	V254-T258 WeakPolarHBondContact O-CB 3.44Å; V254-T258 PolarHBondContact O-N 3.45Å; V254-T258 PolarHBondContact O-OG1 3.13Å; V254-T258 VanDerWaalsContact O-OG1 3.1Å; T255-T258 PolarHBondContact O-N 3.33Å; T258-E261 PolarHBondContact O-N 2.92Å; T258-C262 PolarHBondContact O-N 2.59Å; T258-C262 PolarHBondContact O-SG 2.96Å
259	Y	95.8	Very high	92.3	Very high	69 Å²	69	49.5 Å²	49.5	27%	0.271	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-42.6	177.1	-169.3	-99.8	0	0	0	111.8	I229 P232 L233 T255 I257 E261 C262 V263	I229-Y259 PolarHBondContact O-OH 3.48Å; P232-Y259 HydrophobicContact CB-CE1 3.91Å; P232-Y259 WeakPolarHBondContact CD-OH 3.25Å; P232-Y259 HydrophobicContact CG-CE1 4.26Å; P232-Y259 VanDerWaalsContact CG-OH 3.25Å; P232-Y259 WeakPolarHBondContact CG-OH 3.32Å; L233-Y259 HydrophobicContact CD2-CD1 3.61Å; L233-Y259 HydrophobicContact CD2-CE1 4.27Å; L233-Y259 HydrophobicContact CG-CD1 3.89Å; L233-Y259 HydrophobicContact CG-CE1 4.03Å; T255-Y259 VanDerWaalsContact O-CB 3.26Å; T255-Y259 WeakPolarHBondContact O-CB 3.27Å; T255-Y259 PolarHBondContact O-N 3.48Å; I257-Y259 VanDerWaalsContact C-N 3.31Å; I257-Y259 PolarHBondContact O-N 2.91Å; Y259-E261 VanDerWaalsContact C-N 3.34Å; Y259-E261 PolarHBondContact O-N 2.92Å; Y259-C262 WeakPolarHBondContact O-CB 3.02Å; Y259-C262 PolarHBondContact O-N 3.36Å; Y259-V263 HydrophobicContact CD1-CG2 3.89Å; Y259-V263 HydrophobicContact CE1-CG2 3.54Å; Y259-V263 WeakPolarHBondContact O-CG2 3.24Å; Y259-V263 PolarHBondContact O-N 3.38Å
260	T	94.6	Very high	92.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.9	-54.5	0	0	0	0	111.3	M256 I257 V263 I264 L312 L313	M256-T260 WeakPolarHBondContact O-CB 3.46Å; M256-T260 PolarHBondContact O-N 3.34Å; M256-T260 VanDerWaalsContact O-N 3.07Å; M256-T260 PolarHBondContact O-OG1 3.16Å; I257-T260 PolarHBondContact O-N 2.89Å; T260-V263 PolarHBondContact O-N 3.32Å; T260-I264 HydrophobicContact CG2-CD1 4.19Å; T260-I264 WeakPolarHBondContact O-CG1 3.41Å; T260-I264 PolarHBondContact O-N 3.19Å; T260-L312 HydrophobicContact CG2-CD2 4.06Å; T260-L312 HydrophobicContact CG2-CG 4.27Å; T260-L313 HydrophobicContact CG2-CB 4.29Å; T260-L313 HydrophobicContact CG2-CD1 4.32Å
261	E	95	Very high	92.5	Very high	80 Å²	80	46.1 Å²	46.1	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-45.5	174.5	-70.5	173.4	174.1	0	0	111.7	I257 T258 Y259 V263 I264 V265 L313	I257-E261 WeakPolarHBondContact O-CG 3.37Å; I257-E261 PolarHBondContact O-N 3.22Å; T258-E261 PolarHBondContact O-N 2.92Å; Y259-E261 VanDerWaalsContact C-N 3.34Å; Y259-E261 PolarHBondContact O-N 2.92Å; E261-V263 PolarHBondContact O-N 3.35Å; E261-I264 PolarHBondContact O-N 2.97Å; E261-V265 WeakPolarHBondContact O-CG2 3.47Å; E261-V265 PolarHBondContact O-N 3.15Å; E261-L313 HydrophobicContact CG-CD1 3.9Å
262	C	94.4	Very high	92.4	Very high	62 Å²	62	44.4 Å²	44.4	42%	0.419	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-44	175.3	-70.5	0	0	0	0	112.3	T258 Y259 I264 V265 I266	T258-C262 PolarHBondContact O-N 2.59Å; T258-C262 PolarHBondContact O-SG 2.96Å; Y259-C262 WeakPolarHBondContact O-CB 3.02Å; Y259-C262 PolarHBondContact O-N 3.36Å; C262-I264 PolarHBondContact O-N 2.95Å; C262-V265 PolarHBondContact O-N 2.76Å; C262-I266 WeakPolarHBondContact O-CB 3.48Å; C262-I266 VanDerWaalsContact O-CG1 3.25Å; C262-I266 WeakPolarHBondContact O-CG1 3.26Å; C262-I266 PolarHBondContact O-N 3.35Å
263	V	92.9	Very high	91.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-43.3	178.3	170.8	0	0	0	0	111.2	I229 T230 Y259 T260 E261 V265 I266 K267	I229-V263 HydrophobicContact CG2-CB 4.48Å; I229-V263 HydrophobicContact CG2-CG1 4.12Å; I229-V263 HydrophobicContact CG2-CG2 3.88Å; T230-V263 HydrophobicContact CG2-CG1 3.99Å; Y259-V263 HydrophobicContact CD1-CG2 3.89Å; Y259-V263 HydrophobicContact CE1-CG2 3.54Å; Y259-V263 WeakPolarHBondContact O-CG2 3.24Å; Y259-V263 PolarHBondContact O-N 3.38Å; T260-V263 PolarHBondContact O-N 3.32Å; E261-V263 PolarHBondContact O-N 3.35Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 2.93Å; V263-I266 PolarHBondContact O-N 3.46Å; V263-K267 HydrophobicContact CG1-CD 4.01Å; V263-K267 HydrophobicContact CG1-CG 4.29Å; V263-K267 WeakPolarHBondContact O-CB 3.39Å; V263-K267 WeakPolarHBondContact O-CG 3.29Å; V263-K267 PolarHBondContact O-N 3.23Å
264	I	92.9	Very high	91.5	Very high	36 Å²	36	54.9 Å²	54.9	19%	0.185	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-46	176.8	-68.2	165.8	0	0	0	110.6	T260 E261 C262 K267 F268 D309 L313	T260-I264 HydrophobicContact CG2-CD1 4.19Å; T260-I264 WeakPolarHBondContact O-CG1 3.41Å; T260-I264 PolarHBondContact O-N 3.19Å; E261-I264 PolarHBondContact O-N 2.97Å; C262-I264 PolarHBondContact O-N 2.95Å; I264-K267 PolarHBondContact O-N 2.76Å; I264-F268 VanDerWaalsContact O-CB 3.29Å; I264-F268 WeakPolarHBondContact O-CB 3.19Å; I264-F268 PolarHBondContact O-N 2.97Å; I264-D309 HydrophobicContact CD1-CB 3.91Å; I264-D309 HydrophobicContact CG1-CB 3.52Å; I264-L313 HydrophobicContact CD1-CD2 4.08Å
265	V	93.6	Very high	91.1	Very high	90 Å²	90	53.9 Å²	53.9	55%	0.545	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-45.4	178.5	173.6	0	0	0	0	111.2	E261 C262 V263 F268 V269	E261-V265 WeakPolarHBondContact O-CG2 3.47Å; E261-V265 PolarHBondContact O-N 3.15Å; C262-V265 PolarHBondContact O-N 2.76Å; V263-V265 VanDerWaalsContact C-N 3.35Å; V263-V265 PolarHBondContact O-N 2.93Å; V265-F268 PolarHBondContact O-N 3.21Å; V265-V269 WeakPolarHBondContact O-CG2 3.49Å; V265-V269 PolarHBondContact O-N 3.03Å
266	I	91.2	Very high	90.6	Very high	77 Å²	77	56.5 Å²	56.5	40%	0.395	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-49.3	177.6	-69.9	165	0	0	0	110.4	I229 C262 V263 F268 V269 C270	I229-I266 HydrophobicContact CD1-CG2 4.11Å; C262-I266 WeakPolarHBondContact O-CB 3.48Å; C262-I266 VanDerWaalsContact O-CG1 3.25Å; C262-I266 WeakPolarHBondContact O-CG1 3.26Å; C262-I266 PolarHBondContact O-N 3.35Å; V263-I266 PolarHBondContact O-N 3.46Å; I266-F268 VanDerWaalsContact C-N 3.32Å; I266-F268 PolarHBondContact O-N 3.26Å; I266-V269 PolarHBondContact O-N 3.19Å; I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.07Å; I266-C270 VanDerWaalsContact O-N 3.07Å; I266-C270 PolarHBondContact O-SG 3.44Å
267	K	90.1	Very high	90.1	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.035	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-44.7	176.9	-75.9	-179.8	175.6	-179.1	0	111	T225 V263 I264 C270 Q271 F305 D309	T225-K267 VanDerWaalsContact CG2-CE 3.49Å; T225-K267 VanDerWaalsContact CG2-NZ 3.32Å; T225-K267 PolarHBondContact OG1-NZ 3.24Å; V263-K267 HydrophobicContact CG1-CD 4.01Å; V263-K267 HydrophobicContact CG1-CG 4.29Å; V263-K267 WeakPolarHBondContact O-CB 3.39Å; V263-K267 WeakPolarHBondContact O-CG 3.29Å; V263-K267 PolarHBondContact O-N 3.23Å; I264-K267 PolarHBondContact O-N 2.76Å; K267-C270 PolarHBondContact O-N 2.85Å; K267-Q271 WeakPolarHBondContact O-CG 3.43Å; K267-Q271 PolarHBondContact O-N 2.73Å; K267-F305 HydrophobicContact CB-CD2 3.86Å; K267-F305 HydrophobicContact CB-CE2 3.85Å; K267-F305 HydrophobicContact CD-CD2 4.47Å; K267-D309 WeakPolarHBondContact CD-OD2 3.48Å; K267-D309 IonicContact NZ-OD1 2.73Å; K267-D309 PolarHBondContact NZ-OD1 3.43Å; K267-D309 IonicContact NZ-OD2 3.65Å; K267-D309 PolarHBondContact NZ-OD2 3.44Å
268	F	90.8	Very high	89.6	Confident	115 Å²	115	58.5 Å²	58.5	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-59.6	-48.6	178.5	178.3	-97.9	0	0	0	112.3	I264 V265 I266 C270 Q271 F272 F305	I264-F268 VanDerWaalsContact O-CB 3.29Å; I264-F268 WeakPolarHBondContact O-CB 3.19Å; I264-F268 PolarHBondContact O-N 2.97Å; V265-F268 PolarHBondContact O-N 3.21Å; I266-F268 VanDerWaalsContact C-N 3.32Å; I266-F268 PolarHBondContact O-N 3.26Å; F268-C270 PolarHBondContact O-N 3.43Å; F268-Q271 PolarHBondContact O-N 3.49Å; F268-F272 HydrophobicContact CD1-CE2 4.46Å; F268-F272 HydrophobicContact CE1-CE2 4.09Å; F268-F272 AromaticContact CE1-CZ 4Å; F268-F272 HydrophobicContact CE1-CZ 4Å; F268-F272 HydrophobicContact CZ-CZ 4.22Å; F268-F305 HydrophobicContact CB-CE2 4.45Å; F268-F305 HydrophobicContact CB-CZ 4.28Å; F268-F305 HydrophobicContact CD2-CZ 4.15Å
269	V	90.9	Very high	89	Confident	62 Å²	62	57.2 Å²	57.2	38%	0.376	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-35.2	176.6	171.9	0	0	0	0	111.4	V265 I266 Q271 F272 M275	V265-V269 WeakPolarHBondContact O-CG2 3.49Å; V265-V269 PolarHBondContact O-N 3.03Å; I266-V269 PolarHBondContact O-N 3.19Å; V269-Q271 VanDerWaalsContact C-N 3.34Å; V269-Q271 PolarHBondContact O-N 3.11Å; V269-F272 VanDerWaalsContact O-CD2 3.25Å; V269-F272 WeakPolarHBondContact O-CD2 3.34Å; V269-M275 HydrophobicContact CG1-CE 4.18Å
270	C	88.1	Confident	88.5	Confident	18 Å²	18	60 Å²	60	12%	0.122	33%	0.325	C	S	.	.	H	α-helix	trans	-82.9	-7.2	-177.2	-64.6	0	0	0	0	114.9	I266 K267 F268 F272 Y277 N278 V299	I266-C270 WeakPolarHBondContact O-CB 3.45Å; I266-C270 PolarHBondContact O-N 3.07Å; I266-C270 VanDerWaalsContact O-N 3.07Å; I266-C270 PolarHBondContact O-SG 3.44Å; K267-C270 PolarHBondContact O-N 2.85Å; F268-C270 PolarHBondContact O-N 3.43Å; C270-F272 VanDerWaalsContact C-N 3.29Å; C270-Y277 WeakPolarHBondContact CB-OH 3.3Å; C270-Y277 PolarHBondContact SG-OH 2.96Å; C270-N278 PolarHBondContact O-ND2 3.47Å; C270-V299 HydrophobicContact CB-CB 4.39Å; C270-V299 HydrophobicContact CB-CG1 2.96Å; C270-V299 WeakPolarHBondContact SG-CG1 3.33Å
271	Q	87.6	Confident	88	Confident	31 Å²	31	65 Å²	65	15%	0.145	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.5	172.7	-70	-63.8	-37.1	0	0	112.9	K267 F268 V269 S300 Q301 F305	K267-Q271 WeakPolarHBondContact O-CG 3.43Å; K267-Q271 PolarHBondContact O-N 2.73Å; F268-Q271 PolarHBondContact O-N 3.49Å; V269-Q271 VanDerWaalsContact C-N 3.34Å; V269-Q271 PolarHBondContact O-N 3.11Å; Q271-S300 PolarHBondContact NE2-O 2.52Å; Q271-Q301 VanDerWaalsContact OE1-CA 3.29Å; Q271-F305 HydrophobicContact CG-CD1 3.68Å; Q271-F305 HydrophobicContact CG-CD2 4.1Å; Q271-F305 HydrophobicContact CG-CE1 3.73Å; Q271-F305 HydrophobicContact CG-CE2 4.12Å; Q271-F305 HydrophobicContact CG-CG 3.89Å; Q271-F305 HydrophobicContact CG-CZ 3.95Å
272	F	87.9	Confident	87.5	Confident	97 Å²	97	64.5 Å²	64.5	43%	0.425	35%	0.35	S	S	.	.	S	Bend	trans	-65.8	139.9	-179.1	-73.7	-66.2	0	0	0	112	F268 V269 C270 F274 M275 N278	F268-F272 HydrophobicContact CD1-CE2 4.46Å; F268-F272 HydrophobicContact CE1-CE2 4.09Å; F268-F272 AromaticContact CE1-CZ 4Å; F268-F272 HydrophobicContact CE1-CZ 4Å; F268-F272 HydrophobicContact CZ-CZ 4.22Å; V269-F272 VanDerWaalsContact O-CD2 3.25Å; V269-F272 WeakPolarHBondContact O-CD2 3.34Å; C270-F272 VanDerWaalsContact C-N 3.29Å; F272-F274 HydrophobicContact CB-CD1 3.41Å; F272-F274 VanDerWaalsContact CB-CD1 3.41Å; F272-F274 HydrophobicContact CB-CE1 3.15Å; F272-F274 HydrophobicContact CB-CG 4.35Å; F272-F274 HydrophobicContact CB-CZ 3.93Å; F272-F274 AromaticContact CD2-CE1 3.75Å; F272-F274 HydrophobicContact CD2-CE1 3.75Å; F272-F274 HydrophobicContact CD2-CZ 4.27Å; F272-F274 HydrophobicContact CG-CD1 4.16Å; F272-F274 AromaticContact CG-CE1 3.59Å; F272-F274 HydrophobicContact CG-CE1 3.59Å; F272-F274 HydrophobicContact CG-CZ 4.43Å; F272-F274 PolarHBondContact O-N 3.31Å; F272-F274 VanDerWaalsContact O-N 3.1Å; F272-M275 PolarHBondContact O-N 3.46Å; F272-N278 PolarHBondContact O-ND2 2.92Å
273	A	79.9	Confident	86.9	Confident	84 Å²	84	66.3 Å²	66.3	69%	0.694	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.5	-175.1	0	0	0	0	0	114.7	M275	A273-M275 PolarHBondContact O-N 3.03Å
274	F	85.1	Confident	86.4	Confident	142 Å²	142	70.8 Å²	70.8	62%	0.623	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.9	177.3	67.4	-104.8	0	0	0	113.3	F272	F272-F274 HydrophobicContact CB-CD1 3.41Å; F272-F274 VanDerWaalsContact CB-CD1 3.41Å; F272-F274 HydrophobicContact CB-CE1 3.15Å; F272-F274 HydrophobicContact CB-CG 4.35Å; F272-F274 HydrophobicContact CB-CZ 3.93Å; F272-F274 AromaticContact CD2-CE1 3.75Å; F272-F274 HydrophobicContact CD2-CE1 3.75Å; F272-F274 HydrophobicContact CD2-CZ 4.27Å; F272-F274 HydrophobicContact CG-CD1 4.16Å; F272-F274 AromaticContact CG-CE1 3.59Å; F272-F274 HydrophobicContact CG-CE1 3.59Å; F272-F274 HydrophobicContact CG-CZ 4.43Å; F272-F274 PolarHBondContact O-N 3.31Å; F272-F274 VanDerWaalsContact O-N 3.1Å
275	M	84.8	Confident	85.9	Confident	38 Å²	38	76.2 Å²	76.2	19%	0.187	40%	0.4	C	S	.	.	S	Bend	trans	-69.3	129.2	177.2	-67.9	-65.6	-169.1	0	0	110.1	V269 F272 A273 Y277 N278	V269-M275 HydrophobicContact CG1-CE 4.18Å; F272-M275 PolarHBondContact O-N 3.46Å; A273-M275 PolarHBondContact O-N 3.03Å; M275-Y277 HydrophobicContact CB-CD1 4.27Å; M275-Y277 HydrophobicContact CB-CD2 4.31Å; M275-Y277 HydrophobicContact CB-CE1 3.76Å; M275-Y277 HydrophobicContact CB-CE2 3.8Å; M275-Y277 VanDerWaalsContact CB-CZ 3.49Å; M275-Y277 HydrophobicContact CG-CE1 4.18Å; M275-Y277 HydrophobicContact CG-CE2 4.34Å; M275-Y277 WeakPolarHBondContact CG-OH 3.47Å; M275-Y277 PolarHBondContact O-N 3.29Å; M275-Y277 VanDerWaalsContact O-N 3.1Å; M275-Y277 HydrophobicContact SD-CE1 4.21Å; M275-N278 HydrophobicContact CB-CB 4.46Å; M275-N278 WeakPolarHBondContact O-CB 3.49Å; M275-N278 PolarHBondContact O-N 3.42Å
276	P	83	Confident	85.3	Confident	96 Å²	96	73.7 Å²	73.7	62%	0.623	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-55	-36.5	-173.9	-27.3	33.7	0	0	0	113.8	N278 S279	P276-N278 VanDerWaalsContact C-N 3.25Å; P276-N278 PolarHBondContact O-N 3.09Å; P276-S279 VanDerWaalsContact O-CB 3.29Å; P276-S279 WeakPolarHBondContact O-CB 3.14Å; P276-S279 PolarHBondContact O-N 3.3Å; P276-S279 PolarHBondContact O-OG 3.04Å
277	Y	83.9	Confident	84.6	Confident	47 Å²	47	76.2 Å²	76.2	18%	0.184	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-73.3	-13.2	-179.8	54.4	-100.5	0	0	0	114.3	C270 M275 W282 D294	C270-Y277 WeakPolarHBondContact CB-OH 3.3Å; C270-Y277 PolarHBondContact SG-OH 2.96Å; M275-Y277 HydrophobicContact CB-CD1 4.27Å; M275-Y277 HydrophobicContact CB-CD2 4.31Å; M275-Y277 HydrophobicContact CB-CE1 3.76Å; M275-Y277 HydrophobicContact CB-CE2 3.8Å; M275-Y277 VanDerWaalsContact CB-CZ 3.49Å; M275-Y277 HydrophobicContact CG-CE1 4.18Å; M275-Y277 HydrophobicContact CG-CE2 4.34Å; M275-Y277 WeakPolarHBondContact CG-OH 3.47Å; M275-Y277 PolarHBondContact O-N 3.29Å; M275-Y277 VanDerWaalsContact O-N 3.1Å; M275-Y277 HydrophobicContact SD-CE1 4.21Å; Y277-W282 VanDerWaalsContact CA-CD1 3.43Å; Y277-D294 HydrophobicContact CD2-CB 4.02Å; Y277-D294 HydrophobicContact CG-CB 4.16Å
278	N	83.9	Confident	83.7	Confident	7 Å²	7	83.1 Å²	83.1	4%	0.037	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-87.4	-8.3	173.6	-68.6	-19.2	0	0	0	112.6	C270 F272 M275 P276 R283	C270-N278 PolarHBondContact O-ND2 3.47Å; F272-N278 PolarHBondContact O-ND2 2.92Å; M275-N278 HydrophobicContact CB-CB 4.46Å; M275-N278 WeakPolarHBondContact O-CB 3.49Å; M275-N278 PolarHBondContact O-N 3.42Å; P276-N278 VanDerWaalsContact C-N 3.25Å; P276-N278 PolarHBondContact O-N 3.09Å; N278-R283 PolarHBondContact O-NH2 2.88Å; N278-R283 VanDerWaalsContact O-NH2 3.07Å
279	S	83.6	Confident	83.2	Confident	41 Å²	41	80.5 Å²	80.5	29%	0.287	42%	0.418	S	S	.	.	S	Bend	trans	-60.6	149.9	173.8	68.1	0	0	0	0	111.1	P276 T281 W282 R283	P276-S279 VanDerWaalsContact O-CB 3.29Å; P276-S279 WeakPolarHBondContact O-CB 3.14Å; P276-S279 PolarHBondContact O-N 3.3Å; P276-S279 PolarHBondContact O-OG 3.04Å; S279-T281 VanDerWaalsContact C-N 3.26Å; S279-T281 PolarHBondContact O-N 3.38Å; S279-T281 PolarHBondContact OG-OG1 3.47Å; S279-W282 PolarHBondContact O-N 3.11Å; S279-W282 WeakPolarHBondContact OG-CB 3.39Å; S279-W282 PolarHBondContact OG-N 3.07Å; S279-R283 PolarHBondContact O-N 3.42Å
280	I	83.6	Confident	82.6	Confident	128 Å²	128	78 Å²	78	66%	0.656	40%	0.403	S	S	*	.	H	α-helix	trans	-62.4	-39.8	179.2	-63.5	170.3	0	0	0	110	R283 T284	I280-R283 PolarHBondContact O-N 3.21Å; I280-T284 PolarHBondContact O-N 3.48Å; I280-T284 PolarHBondContact O-OG1 2.9Å; I280-T284 VanDerWaalsContact O-OG1 3.1Å
281	T	85.3	Confident	82.2	Confident	105 Å²	105	80 Å²	80	64%	0.644	41%	0.412	S	S	*	.	H	α-helix	trans	-59.4	-48.6	179.1	47.6	0	0	0	0	112.3	S279 R283 T284 E285	S279-T281 VanDerWaalsContact C-N 3.26Å; S279-T281 PolarHBondContact O-N 3.38Å; S279-T281 PolarHBondContact OG-OG1 3.47Å; T281-R283 PolarHBondContact O-N 3.32Å; T281-T284 PolarHBondContact O-N 3.37Å; T281-E285 PolarHBondContact O-N 2.87Å; T281-E285 VanDerWaalsContact O-N 3.09Å
282	W	84.2	Confident	82	Confident	69 Å²	69	78.8 Å²	78.8	26%	0.261	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-45.2	178.4	-178.9	-87.8	0	0	0	112.1	Y277 S279 T284 E285 H286 D294	Y277-W282 VanDerWaalsContact CA-CD1 3.43Å; S279-W282 PolarHBondContact O-N 3.11Å; S279-W282 WeakPolarHBondContact OG-CB 3.39Å; S279-W282 PolarHBondContact OG-N 3.07Å; W282-T284 VanDerWaalsContact C-N 3.35Å; W282-T284 PolarHBondContact O-N 2.87Å; W282-E285 PolarHBondContact O-N 3.03Å; W282-H286 AromaticContact CD2-CE1 3.85Å; W282-H286 AromaticContact CD2-ND1 3.6Å; W282-H286 AromaticContact CE2-CE1 3.96Å; W282-H286 AromaticContact CE2-ND1 3.68Å; W282-H286 AromaticContact CE3-CE1 3.69Å; W282-H286 AromaticContact CE3-ND1 3.9Å; W282-H286 AromaticContact CG-ND1 3.99Å; W282-H286 AromaticContact CH2-CE1 3.79Å; W282-H286 AromaticContact CH2-NE2 3.9Å; W282-H286 AromaticContact CZ2-CE1 3.95Å; W282-H286 AromaticContact CZ3-CE1 3.66Å; W282-H286 WeakPolarHBondContact O-CB 3.39Å; W282-H286 PolarHBondContact O-N 2.86Å; W282-H286 PolarHBondContact O-ND1 2.88Å; W282-D294 PolarHBondContact NE1-OD1 3.15Å
283	R	81.8	Confident	81.8	Confident	101 Å²	101	79.4 Å²	79.4	38%	0.381	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-39.7	-179.2	-77.1	-169	-73.7	-159.6	-13.3	112.7	N278 S279 I280 T281 Q287 Q301	N278-R283 PolarHBondContact O-NH2 2.88Å; N278-R283 VanDerWaalsContact O-NH2 3.07Å; S279-R283 PolarHBondContact O-N 3.42Å; I280-R283 PolarHBondContact O-N 3.21Å; T281-R283 PolarHBondContact O-N 3.32Å; R283-Q287 WeakPolarHBondContact O-CA 3.3Å; R283-Q287 WeakPolarHBondContact O-CB 3.46Å; R283-Q287 PolarHBondContact O-N 2.69Å; R283-Q287 VanDerWaalsContact O-N 3.1Å; R283-Q301 VanDerWaalsContact CZ-OE1 3.3Å
284	T	82.9	Confident	82	Confident	95 Å²	95	76 Å²	76	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-69.2	-43.7	178.3	-57.7	0	0	0	0	111.5	I280 T281 W282	I280-T284 PolarHBondContact O-N 3.48Å; I280-T284 PolarHBondContact O-OG1 2.9Å; I280-T284 VanDerWaalsContact O-OG1 3.1Å; T281-T284 PolarHBondContact O-N 3.37Å; W282-T284 VanDerWaalsContact C-N 3.35Å; W282-T284 PolarHBondContact O-N 2.87Å
285	E	81.7	Confident	81.9	Confident	149 Å²	149	71.1 Å²	71.1	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-43.5	179.9	-174.5	175.4	-166.8	0	0	112.1	T281 W282	T281-E285 PolarHBondContact O-N 2.87Å; T281-E285 VanDerWaalsContact O-N 3.09Å; W282-E285 PolarHBondContact O-N 3.03Å
286	H	80.7	Confident	81.8	Confident	37 Å²	37	71.5 Å²	71.5	17%	0.171	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	15.1	-175.4	-62.3	82.6	0	0	0	113.2	W282 M288 D289 K295	W282-H286 AromaticContact CD2-CE1 3.85Å; W282-H286 AromaticContact CD2-ND1 3.6Å; W282-H286 AromaticContact CE2-CE1 3.96Å; W282-H286 AromaticContact CE2-ND1 3.68Å; W282-H286 AromaticContact CE3-CE1 3.69Å; W282-H286 AromaticContact CE3-ND1 3.9Å; W282-H286 AromaticContact CG-ND1 3.99Å; W282-H286 AromaticContact CH2-CE1 3.79Å; W282-H286 AromaticContact CH2-NE2 3.9Å; W282-H286 AromaticContact CZ2-CE1 3.95Å; W282-H286 AromaticContact CZ3-CE1 3.66Å; W282-H286 WeakPolarHBondContact O-CB 3.39Å; W282-H286 PolarHBondContact O-N 2.86Å; W282-H286 PolarHBondContact O-ND1 2.88Å; H286-M288 VanDerWaalsContact C-N 3.33Å; H286-M288 PolarHBondContact O-N 3.3Å; H286-D289 PolarHBondContact O-N 2.96Å; H286-K295 PolarHBondContact O-NZ 3.47Å
287	Q	76	Confident	82	Confident	130 Å²	130	71.1 Å²	71.1	61%	0.607	35%	0.353	S	S	*	.	S	Bend	trans	-60.6	-44.1	-177.6	-171.9	172.3	-17	0	0	111.7	R283 K295	R283-Q287 WeakPolarHBondContact O-CA 3.3Å; R283-Q287 WeakPolarHBondContact O-CB 3.46Å; R283-Q287 PolarHBondContact O-N 2.69Å; R283-Q287 VanDerWaalsContact O-N 3.1Å; Q287-K295 PolarHBondContact O-NZ 3.4Å
288	M	72.5	Confident	81.9	Confident	154 Å²	154	69.3 Å²	69.3	76%	0.759	35%	0.349	S	S	*	.	S	Bend	trans	-87.2	-13.2	-177.9	-63.5	-60.7	-175.6	0	0	113.6	H286 P290	H286-M288 VanDerWaalsContact C-N 3.33Å; H286-M288 PolarHBondContact O-N 3.3Å; M288-P290 WeakPolarHBondContact O-CD 3.34Å
289	D	80.9	Confident	82	Confident	60 Å²	60	69.6 Å²	69.6	32%	0.321	35%	0.351	S	S	.	.			trans	-79.8	113.3	176.6	-172	4.8	0	0	0	109.8	H286 M291 K295	H286-D289 PolarHBondContact O-N 2.96Å; D289-M291 PolarHBondContact O-N 2.8Å; D289-M291 PolarHBondContact OD1-N 2.99Å; D289-K295 PolarHBondContact O-NZ 3.43Å
290	P	77.1	Confident	81.8	Confident	9 Å²	9	68.4 Å²	68.4	6%	0.058	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.4	177.5	29.5	-36.6	0	0	0	112.8	M288 P516	M288-P290 WeakPolarHBondContact O-CD 3.34Å; P290-P516 HydrophobicContact CB-CB 3.77Å; P290-P516 HydrophobicContact CG-CB 4.47Å; P290-P516 VanDerWaalsContact CG-O 3.25Å; P290-P516 WeakPolarHBondContact CG-O 3.43Å
291	M	79.6	Confident	81.8	Confident	61 Å²	61	65.9 Å²	65.9	30%	0.3	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	17.8	-171.2	-68.1	-63.3	-69.3	0	0	113.6	D289 L296 L513	D289-M291 PolarHBondContact O-N 2.8Å; D289-M291 PolarHBondContact OD1-N 2.99Å; M291-L296 HydrophobicContact CE-CD1 3.85Å; M291-L296 HydrophobicContact SD-CD1 4.44Å; M291-L513 HydrophobicContact CE-CD2 4.03Å
292	S	83.2	Confident	81.6	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.028	31%	0.312	C	S	.	.			trans	-59.1	144.4	173.9	72.3	0	0	0	0	110.9	D294 K295 L296	S292-D294 WeakPolarHBondContact CB-OD1 3.32Å; S292-D294 PolarHBondContact O-N 2.93Å; S292-D294 VanDerWaalsContact O-N 3.15Å; S292-D294 PolarHBondContact OG-OD1 2.97Å; S292-K295 PolarHBondContact O-N 2.98Å; S292-K295 WeakPolarHBondContact OG-CD 3.48Å; S292-K295 WeakPolarHBondContact OG-CG 3.47Å; S292-L296 PolarHBondContact O-N 3.3Å
293	L	84.4	Confident	81.5	Confident	110 Å²	110	69.3 Å²	69.3	58%	0.576	34%	0.341	S	S	*	.	H	α-helix	trans	-56	-37.3	-172.3	-68.8	175.3	0	0	0	112.8	F297	L293-F297 HydrophobicContact CD2-CE2 4.39Å; L293-F297 WeakPolarHBondContact O-CD2 3.47Å; L293-F297 PolarHBondContact O-N 3.29Å; L293-F297 VanDerWaalsContact O-N 3.09Å
294	D	84.2	Confident	81.7	Confident	14 Å²	14	69 Å²	69	8%	0.075	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-38.2	177	63.1	-59.9	0	0	0	112.5	Y277 W282 S292 G298 V299 S300	Y277-D294 HydrophobicContact CD2-CB 4.02Å; Y277-D294 HydrophobicContact CG-CB 4.16Å; W282-D294 PolarHBondContact NE1-OD1 3.15Å; S292-D294 WeakPolarHBondContact CB-OD1 3.32Å; S292-D294 PolarHBondContact O-N 2.93Å; S292-D294 VanDerWaalsContact O-N 3.15Å; S292-D294 PolarHBondContact OG-OD1 2.97Å; D294-G298 PolarHBondContact O-N 3.48Å; D294-G298 VanDerWaalsContact O-N 3.16Å; D294-V299 PolarHBondContact O-N 2.6Å; D294-S300 PolarHBondContact O-N 3.23Å
295	K	82.2	Confident	81.8	Confident	39 Å²	39	67.3 Å²	67.3	17%	0.17	34%	0.339	C	S	.	.	H	α-helix	trans	-76.3	-41.6	177	-67	176.8	-162.9	163.1	0	111.6	H286 Q287 D289 S292 F297 G298	H286-K295 PolarHBondContact O-NZ 3.47Å; Q287-K295 PolarHBondContact O-NZ 3.4Å; D289-K295 PolarHBondContact O-NZ 3.43Å; S292-K295 PolarHBondContact O-N 2.98Å; S292-K295 WeakPolarHBondContact OG-CD 3.48Å; S292-K295 WeakPolarHBondContact OG-CG 3.47Å; K295-F297 PolarHBondContact O-N 2.95Å; K295-G298 PolarHBondContact O-N 3.23Å; K295-G298 VanDerWaalsContact O-N 3.12Å
296	L	83.9	Confident	82.1	Confident	45 Å²	45	60.8 Å²	60.8	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-45.7	179.8	-178.3	64.9	0	0	0	112	L228 M291 S292 G298 L513	L228-L296 WeakPolarHBondContact CB-O 3.27Å; L228-L296 PolarHBondContact N-O 3.33Å; M291-L296 HydrophobicContact CE-CD1 3.85Å; M291-L296 HydrophobicContact SD-CD1 4.44Å; S292-L296 PolarHBondContact O-N 3.3Å; L296-G298 VanDerWaalsContact C-N 3.32Å; L296-L513 HydrophobicContact CD1-CD2 3.91Å
297	F	85.9	Confident	82.6	Confident	89 Å²	89	63.1 Å²	63.1	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-80.8	-12.9	176.5	-74.7	-74.5	0	0	0	113	L228 I229 L293 K295 V299	L228-F297 HydrophobicContact CB-CD1 4.26Å; L228-F297 HydrophobicContact CD2-CD1 4.44Å; L228-F297 HydrophobicContact CD2-CE1 4.07Å; I229-F297 HydrophobicContact CD1-CB 4.16Å; I229-F297 HydrophobicContact CG1-CB 4.31Å; I229-F297 HydrophobicContact CG1-CD1 4.15Å; I229-F297 WeakPolarHBondContact CG1-O 3.34Å; L293-F297 HydrophobicContact CD2-CE2 4.39Å; L293-F297 WeakPolarHBondContact O-CD2 3.47Å; L293-F297 PolarHBondContact O-N 3.29Å; L293-F297 VanDerWaalsContact O-N 3.09Å; K295-F297 PolarHBondContact O-N 2.95Å; F297-V299 HydrophobicContact CB-CG2 3.44Å; F297-V299 VanDerWaalsContact CB-CG2 3.44Å
298	G	83.2	Confident	83.3	Confident	9 Å²	9	61 Å²	61	9%	0.093	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	35.8	-179.8	0	0	0	0	0	113.7	T225 G227 D294 K295 L296	T225-G298 WeakPolarHBondContact CG2-O 3.48Å; G227-G298 VanDerWaalsContact CA-CA 3.5Å; D294-G298 PolarHBondContact O-N 3.48Å; D294-G298 VanDerWaalsContact O-N 3.16Å; K295-G298 PolarHBondContact O-N 3.23Å; K295-G298 VanDerWaalsContact O-N 3.12Å; L296-G298 VanDerWaalsContact C-N 3.32Å
299	V	85.2	Confident	84.3	Confident	12 Å²	12	53.6 Å²	53.6	7%	0.073	27%	0.274	C	S	.	.			trans	-114.1	8.9	-171.1	-149.4	0	0	0	0	112.4	I229 C270 D294 F297	I229-V299 HydrophobicContact CD1-CG2 3.69Å; C270-V299 HydrophobicContact CB-CB 4.39Å; C270-V299 HydrophobicContact CB-CG1 2.96Å; C270-V299 WeakPolarHBondContact SG-CG1 3.33Å; D294-V299 PolarHBondContact O-N 2.6Å; F297-V299 HydrophobicContact CB-CG2 3.44Å; F297-V299 VanDerWaalsContact CB-CG2 3.44Å
300	S	80.5	Confident	84.9	Confident	17 Å²	17	55.4 Å²	55.4	12%	0.119	28%	0.283	C	S	.	.			trans	-58.4	141.7	177.2	66	0	0	0	0	112.1	Q271 D294 R302	Q271-S300 PolarHBondContact NE2-O 2.52Å; D294-S300 PolarHBondContact O-N 3.23Å; S300-R302 PolarHBondContact O-N 2.78Å; S300-R302 PolarHBondContact OG-NE 3.5Å
301	Q	83.3	Confident	85.8	Confident	75 Å²	75	57.3 Å²	57.3	35%	0.35	29%	0.294	S	S	.	.			trans	-63.1	125.5	174.9	-162.2	-173.7	17.3	0	0	111.2	Q271 R283	Q271-Q301 VanDerWaalsContact OE1-CA 3.29Å; R283-Q301 VanDerWaalsContact CZ-OE1 3.3Å
302	R	81.3	Confident	86.5	Confident	82 Å²	82	54.4 Å²	54.4	31%	0.309	28%	0.28	S	S	.	.			trans	-147.5	148.5	-179.1	-68.6	-173.7	-176.4	177.9	-2.6	112.4	M224 S300 F305	M224-R302 PolarHBondContact O-NH1 3.24Å; S300-R302 PolarHBondContact O-N 2.78Å; S300-R302 PolarHBondContact OG-NE 3.5Å; R302-F305 HydrophobicContact CB-CB 4.4Å
303	D	81.8	Confident	87.1	Confident	163 Å²	163	55.8 Å²	55.8	87%	0.872	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	136.3	165.3	-60.2	-28.6	0	0	0	109.3	F305	D303-F305 VanDerWaalsContact C-N 3.31Å; D303-F305 PolarHBondContact O-N 2.97Å
304	S	86	Confident	87.6	Confident	94 Å²	94	57.7 Å²	57.7	66%	0.657	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	33.4	-178.8	-52.1	0	0	0	0	115.4	A306 L307	S304-A306 PolarHBondContact O-N 3.39Å; S304-L307 PolarHBondContact O-N 3.44Å
305	F	84.9	Confident	88.1	Confident	61 Å²	61	57.4 Å²	57.4	27%	0.268	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.2	-176.8	75.4	-86.9	0	0	0	115.3	K267 F268 Q271 R302 D303	K267-F305 HydrophobicContact CB-CD2 3.86Å; K267-F305 HydrophobicContact CB-CE2 3.85Å; K267-F305 HydrophobicContact CD-CD2 4.47Å; F268-F305 HydrophobicContact CB-CE2 4.45Å; F268-F305 HydrophobicContact CB-CZ 4.28Å; F268-F305 HydrophobicContact CD2-CZ 4.15Å; Q271-F305 HydrophobicContact CG-CD1 3.68Å; Q271-F305 HydrophobicContact CG-CD2 4.1Å; Q271-F305 HydrophobicContact CG-CE1 3.73Å; Q271-F305 HydrophobicContact CG-CE2 4.12Å; Q271-F305 HydrophobicContact CG-CG 3.89Å; Q271-F305 HydrophobicContact CG-CZ 3.95Å; R302-F305 HydrophobicContact CB-CB 4.4Å; D303-F305 VanDerWaalsContact C-N 3.31Å; D303-F305 PolarHBondContact O-N 2.97Å
306	A	86.6	Confident	88.7	Confident	11 Å²	11	55.6 Å²	55.6	9%	0.091	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	1.7	-174.7	0	0	0	0	0	114.8	S304 W308 D309 I310	S304-A306 PolarHBondContact O-N 3.39Å; A306-W308 PolarHBondContact O-N 3.18Å; A306-D309 PolarHBondContact O-N 3Å; A306-I310 HydrophobicContact CB-CD1 4.03Å; A306-I310 HydrophobicContact CB-CG1 4.37Å; A306-I310 VanDerWaalsContact O-CG1 3.27Å; A306-I310 WeakPolarHBondContact O-CG1 3.3Å; A306-I310 PolarHBondContact O-N 2.86Å
307	L	91.3	Very high	89.2	Confident	86 Å²	86	57.3 Å²	57.3	45%	0.45	29%	0.288	S	S	.	.	H	α-helix	trans	-56.6	-50.3	-171.4	-176.6	151	0	0	0	112.1	S304 I310 V311	S304-L307 PolarHBondContact O-N 3.44Å; L307-I310 PolarHBondContact O-N 3.38Å; L307-V311 HydrophobicContact CD2-CG2 4.42Å; L307-V311 WeakPolarHBondContact O-CG2 3.36Å; L307-V311 PolarHBondContact O-N 3.06Å
308	W	91.9	Very high	89.6	Confident	85 Å²	85	56.2 Å²	56.2	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-72	-33.4	-179.1	-68.1	103.1	0	0	0	113.1	F217 M220 T221 M224 A306 I310 V311 L312	F217-W308 HydrophobicContact CD1-CZ3 4.43Å; M220-W308 HydrophobicContact CB-CE3 3.94Å; M220-W308 HydrophobicContact CB-CZ3 4.09Å; M220-W308 HydrophobicContact CG-CZ3 4.22Å; T221-W308 PolarHBondContact OG1-O 3.24Å; M224-W308 HydrophobicContact CB-CG 4.17Å; M224-W308 HydrophobicContact CE-CZ2 4.34Å; M224-W308 HydrophobicContact CG-CD2 4.21Å; M224-W308 HydrophobicContact CG-CG 4.1Å; M224-W308 HydrophobicContact CG-CZ2 4.43Å; A306-W308 PolarHBondContact O-N 3.18Å; W308-I310 VanDerWaalsContact C-N 3.33Å; W308-V311 PolarHBondContact O-N 3.09Å; W308-L312 WeakPolarHBondContact O-CB 3.35Å; W308-L312 PolarHBondContact O-N 2.94Å
309	D	92.7	Very high	90.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-39.7	174.2	-55.6	-60.1	0	0	0	111	T221 I264 K267 A306 L312 L313	T221-D309 WeakPolarHBondContact CG2-OD1 3.27Å; I264-D309 HydrophobicContact CD1-CB 3.91Å; I264-D309 HydrophobicContact CG1-CB 3.52Å; K267-D309 WeakPolarHBondContact CD-OD2 3.48Å; K267-D309 IonicContact NZ-OD1 2.73Å; K267-D309 PolarHBondContact NZ-OD1 3.43Å; K267-D309 IonicContact NZ-OD2 3.65Å; K267-D309 PolarHBondContact NZ-OD2 3.44Å; A306-D309 PolarHBondContact O-N 3Å; D309-L312 PolarHBondContact O-N 3.28Å; D309-L313 WeakPolarHBondContact O-CB 3.35Å; D309-L313 PolarHBondContact O-N 3.3Å
310	I	94.1	Very high	90.5	Very high	98 Å²	98	58.9 Å²	58.9	50%	0.503	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-42.2	176.6	-67.8	165.2	0	0	0	111.1	A306 L307 W308 L312 L313 F314	A306-I310 HydrophobicContact CB-CD1 4.03Å; A306-I310 HydrophobicContact CB-CG1 4.37Å; A306-I310 VanDerWaalsContact O-CG1 3.27Å; A306-I310 WeakPolarHBondContact O-CG1 3.3Å; A306-I310 PolarHBondContact O-N 2.86Å; L307-I310 PolarHBondContact O-N 3.38Å; W308-I310 VanDerWaalsContact C-N 3.33Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L313 PolarHBondContact O-N 2.96Å; I310-F314 WeakPolarHBondContact O-CB 3.29Å; I310-F314 PolarHBondContact O-N 3.49Å
311	V	94.8	Very high	91.1	Very high	48 Å²	48	64.6 Å²	64.6	29%	0.291	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.8	171.1	0	0	0	0	110.8	F217 L307 W308 F314 S315	F217-V311 HydrophobicContact CD1-CG1 3.68Å; F217-V311 HydrophobicContact CD2-CG1 4.3Å; F217-V311 HydrophobicContact CE1-CG1 3.63Å; F217-V311 HydrophobicContact CE2-CG1 4.24Å; F217-V311 HydrophobicContact CG-CG1 4.04Å; F217-V311 HydrophobicContact CZ-CG1 3.92Å; L307-V311 HydrophobicContact CD2-CG2 4.42Å; L307-V311 WeakPolarHBondContact O-CG2 3.36Å; L307-V311 PolarHBondContact O-N 3.06Å; W308-V311 PolarHBondContact O-N 3.09Å; V311-F314 PolarHBondContact O-N 3.08Å; V311-S315 WeakPolarHBondContact O-CB 3.42Å; V311-S315 PolarHBondContact O-N 3.32Å
312	L	95.2	Very high	91.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-47.6	173.6	174.3	59.9	0	0	0	111.3	F217 A218 L233 T260 W308 D309 I310 F314 S315 L316	F217-L312 HydrophobicContact CB-CB 4.23Å; F217-L312 HydrophobicContact CB-CD1 3.92Å; A218-L312 HydrophobicContact CB-CD1 4.14Å; A218-L312 HydrophobicContact CB-CD2 4.37Å; L233-L312 HydrophobicContact CD1-CD2 4Å; L233-L312 HydrophobicContact CD2-CD2 4.32Å; T260-L312 HydrophobicContact CG2-CD2 4.06Å; T260-L312 HydrophobicContact CG2-CG 4.27Å; W308-L312 WeakPolarHBondContact O-CB 3.35Å; W308-L312 PolarHBondContact O-N 2.94Å; D309-L312 PolarHBondContact O-N 3.28Å; I310-L312 VanDerWaalsContact C-N 3.34Å; L312-F314 VanDerWaalsContact C-N 3.35Å; L312-F314 PolarHBondContact O-N 3.02Å; L312-S315 WeakPolarHBondContact O-CB 3.43Å; L312-S315 PolarHBondContact O-N 2.66Å; L312-S315 VanDerWaalsContact O-N 3.17Å; L312-L316 HydrophobicContact CD1-CD1 4.11Å; L312-L316 HydrophobicContact CD1-CG 4.07Å; L312-L316 HydrophobicContact CG-CD1 4.02Å; L312-L316 HydrophobicContact CG-CG 4.43Å; L312-L316 WeakPolarHBondContact O-CG 3.09Å; L312-L316 PolarHBondContact O-N 3.47Å
313	L	95.9	Very high	91.7	Very high	34 Å²	34	59.2 Å²	59.2	18%	0.178	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-46	179	-171.5	66.2	0	0	0	111.4	I257 T260 E261 I264 D309 I310 S315 L316 F317	I257-L313 HydrophobicContact CG2-CD1 4.33Å; T260-L313 HydrophobicContact CG2-CB 4.29Å; T260-L313 HydrophobicContact CG2-CD1 4.32Å; E261-L313 HydrophobicContact CG-CD1 3.9Å; I264-L313 HydrophobicContact CD1-CD2 4.08Å; D309-L313 WeakPolarHBondContact O-CB 3.35Å; D309-L313 PolarHBondContact O-N 3.3Å; I310-L313 PolarHBondContact O-N 2.96Å; L313-S315 VanDerWaalsContact C-N 3.34Å; L313-S315 PolarHBondContact O-N 2.87Å; L313-L316 PolarHBondContact O-N 3.07Å; L313-F317 HydrophobicContact CD1-CD2 4.07Å; L313-F317 HydrophobicContact CD1-CE2 3.65Å; L313-F317 HydrophobicContact CD2-CE2 4.39Å; L313-F317 HydrophobicContact CG-CD2 3.94Å; L313-F317 HydrophobicContact CG-CE2 3.81Å; L313-F317 VanDerWaalsContact O-CD2 3.27Å; L313-F317 WeakPolarHBondContact O-CD2 3.28Å; L313-F317 PolarHBondContact O-N 3.29Å
314	F	95.6	Very high	92.1	Very high	150 Å²	150	57.9 Å²	57.9	66%	0.658	27%	0.271	S	S	*	.	H	α-helix	trans	-58.3	-45.9	174.8	176.8	-96.7	0	0	0	111.7	I310 V311 L312 L316 F317 F318	I310-F314 WeakPolarHBondContact O-CB 3.29Å; I310-F314 PolarHBondContact O-N 3.49Å; V311-F314 PolarHBondContact O-N 3.08Å; L312-F314 VanDerWaalsContact C-N 3.35Å; L312-F314 PolarHBondContact O-N 3.02Å; F314-L316 PolarHBondContact O-N 2.91Å; F314-F317 PolarHBondContact O-N 2.91Å; F314-F318 WeakPolarHBondContact O-CB 3.41Å; F314-F318 PolarHBondContact O-N 3Å
315	S	94.3	Very high	92.1	Very high	8 Å²	8	59.5 Å²	59.5	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-43.6	177.5	-171.8	0	0	0	0	112.2	C214 V311 L312 L313 F317 F318 H319	C214-S315 PolarHBondContact SG-O 2.92Å; C214-S315 PolarHBondContact SG-OG 3.49Å; V311-S315 WeakPolarHBondContact O-CB 3.42Å; V311-S315 PolarHBondContact O-N 3.32Å; L312-S315 WeakPolarHBondContact O-CB 3.43Å; L312-S315 PolarHBondContact O-N 2.66Å; L312-S315 VanDerWaalsContact O-N 3.17Å; L313-S315 VanDerWaalsContact C-N 3.34Å; L313-S315 PolarHBondContact O-N 2.87Å; S315-F317 PolarHBondContact O-N 3.21Å; S315-F318 WeakPolarHBondContact O-CB 3.42Å; S315-F318 PolarHBondContact O-N 2.98Å; S315-H319 PolarHBondContact O-N 3.35Å
316	L	94.8	Very high	92	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42	177.1	-69.6	169.7	0	0	0	112.3	C214 W253 M256 I257 L312 L313 F314 H319 R320	C214-L316 HydrophobicContact CB-CD2 4.02Å; W253-L316 HydrophobicContact CE3-CD2 3.89Å; W253-L316 HydrophobicContact CZ3-CD2 3.77Å; M256-L316 HydrophobicContact CB-CD2 4.37Å; M256-L316 HydrophobicContact CG-CD1 3.94Å; M256-L316 HydrophobicContact CG-CD2 3.75Å; I257-L316 HydrophobicContact CD1-CB 4.43Å; I257-L316 HydrophobicContact CG1-CB 3.78Å; I257-L316 HydrophobicContact CG1-CD1 4.14Å; I257-L316 HydrophobicContact CG1-CG 4.44Å; L312-L316 HydrophobicContact CD1-CD1 4.11Å; L312-L316 HydrophobicContact CD1-CG 4.07Å; L312-L316 HydrophobicContact CG-CD1 4.02Å; L312-L316 HydrophobicContact CG-CG 4.43Å; L312-L316 WeakPolarHBondContact O-CG 3.09Å; L312-L316 PolarHBondContact O-N 3.47Å; L313-L316 PolarHBondContact O-N 3.07Å; F314-L316 PolarHBondContact O-N 2.91Å; L316-H319 PolarHBondContact O-N 3.35Å; L316-R320 WeakPolarHBondContact O-CB 3.42Å; L316-R320 PolarHBondContact O-N 2.97Å
317	F	95.1	Very high	91.7	Very high	81 Å²	81	60.9 Å²	60.9	36%	0.355	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-36.8	174.3	-84	-72	0	0	0	112.4	I257 L313 F314 S315 R320 Y321	I257-F317 HydrophobicContact CG2-CE2 4.29Å; I257-F317 HydrophobicContact CG2-CZ 4.09Å; L313-F317 HydrophobicContact CD1-CD2 4.07Å; L313-F317 HydrophobicContact CD1-CE2 3.65Å; L313-F317 HydrophobicContact CD2-CE2 4.39Å; L313-F317 HydrophobicContact CG-CD2 3.94Å; L313-F317 HydrophobicContact CG-CE2 3.81Å; L313-F317 VanDerWaalsContact O-CD2 3.27Å; L313-F317 WeakPolarHBondContact O-CD2 3.28Å; L313-F317 PolarHBondContact O-N 3.29Å; F314-F317 PolarHBondContact O-N 2.91Å; S315-F317 PolarHBondContact O-N 3.21Å; F317-R320 PolarHBondContact O-N 3.24Å; F317-Y321 WeakPolarHBondContact O-CB 3.1Å; F317-Y321 PolarHBondContact O-N 3.22Å
318	F	93.8	Very high	91.3	Very high	66 Å²	66	60.1 Å²	60.1	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-44	174.7	-178.4	-110.2	0	0	0	111.9	I206 T210 F314 S315 Y321 M322	I206-F318 HydrophobicContact CG2-CE1 4.33Å; T210-F318 HydrophobicContact CG2-CD1 3.84Å; T210-F318 HydrophobicContact CG2-CE1 3.52Å; F314-F318 WeakPolarHBondContact O-CB 3.41Å; F314-F318 PolarHBondContact O-N 3Å; S315-F318 WeakPolarHBondContact O-CB 3.42Å; S315-F318 PolarHBondContact O-N 2.98Å; F318-Y321 WeakPolarHBondContact O-CB 3.41Å; F318-Y321 PolarHBondContact O-N 3.01Å; F318-M322 HydrophobicContact CE1-CE 4.12Å; F318-M322 HydrophobicContact CE1-CG 4.35Å; F318-M322 HydrophobicContact CE2-CE 3.65Å; F318-M322 HydrophobicContact CZ-CE 3.3Å; F318-M322 HydrophobicContact CZ-CG 4.3Å; F318-M322 PolarHBondContact O-N 3.29Å
319	H	93.6	Very high	90.7	Very high	9 Å²	9	57.5 Å²	57.5	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-44.4	173.6	-178.2	66.7	0	0	0	111.6	T210 D211 C214 W253 S315 L316 Y321 M322 L323	T210-H319 WeakPolarHBondContact CB-ND1 3.42Å; T210-H319 PolarHBondContact OG1-ND1 3.45Å; D211-H319 PolarHBondContact N-ND1 3.29Å; C214-H319 VanDerWaalsContact SG-CB 3.51Å; W253-H319 AromaticContact CD2-CD2 3.63Å; W253-H319 AromaticContact CD2-NE2 3.89Å; W253-H319 AromaticContact CE2-CD2 3.43Å; W253-H319 VanDerWaalsContact CE2-CD2 3.43Å; W253-H319 AromaticContact CE2-NE2 3.18Å; W253-H319 AromaticContact CE3-CD2 3.73Å; W253-H319 AromaticContact CH2-CD2 3.5Å; W253-H319 AromaticContact CH2-NE2 3.59Å; W253-H319 AromaticContact CZ2-CD2 3.39Å; W253-H319 WeakPolarHBondContact CZ2-CD2 3.22Å; W253-H319 AromaticContact CZ2-CE1 3.9Å; W253-H319 AromaticContact CZ2-NE2 3.02Å; W253-H319 WeakPolarHBondContact CZ2-NE2 3.32Å; W253-H319 AromaticContact CZ3-CD2 3.66Å; W253-H319 AromaticContact NE1-NE2 3.57Å; S315-H319 PolarHBondContact O-N 3.35Å; L316-H319 PolarHBondContact O-N 3.35Å; H319-Y321 VanDerWaalsContact C-N 3.31Å; H319-Y321 PolarHBondContact O-N 2.94Å; H319-M322 PolarHBondContact O-N 3.12Å; H319-M322 VanDerWaalsContact O-N 3.16Å; H319-L323 WeakPolarHBondContact NE2-CD1 3.05Å; H319-L323 PolarHBondContact O-N 3.02Å
320	R	93.4	Very high	89.6	Confident	67 Å²	67	63.7 Å²	63.7	25%	0.253	30%	0.3	S	S	.	.	H	α-helix	trans	-57.8	-41.9	172.7	176.4	178.3	-178.3	-169	2.8	112.2	L316 F317 R324 W329	L316-R320 WeakPolarHBondContact O-CB 3.42Å; L316-R320 PolarHBondContact O-N 2.97Å; F317-R320 PolarHBondContact O-N 3.24Å; R320-R324 WeakPolarHBondContact O-CB 3.36Å; R320-R324 VanDerWaalsContact O-CG 3.3Å; R320-R324 WeakPolarHBondContact O-CG 3.18Å; R320-R324 PolarHBondContact O-N 3.3Å; R320-W329 HydrophobicContact CB-CE3 4.32Å; R320-W329 HydrophobicContact CB-CH2 4.09Å; R320-W329 HydrophobicContact CB-CZ3 3.88Å; R320-W329 HydrophobicContact CG-CD2 4.05Å; R320-W329 HydrophobicContact CG-CE3 3.93Å; R320-W329 HydrophobicContact CG-CH2 3.7Å; R320-W329 HydrophobicContact CG-CZ2 3.83Å; R320-W329 HydrophobicContact CG-CZ3 3.75Å
321	Y	92.5	Very high	87.8	Confident	138 Å²	138	61.9 Å²	61.9	54%	0.541	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-45.6	175.1	167.7	-100.8	0	0	0	111.5	F317 F318 H319 R324 K325	F317-Y321 WeakPolarHBondContact O-CB 3.1Å; F317-Y321 PolarHBondContact O-N 3.22Å; F318-Y321 WeakPolarHBondContact O-CB 3.41Å; F318-Y321 PolarHBondContact O-N 3.01Å; H319-Y321 VanDerWaalsContact C-N 3.31Å; H319-Y321 PolarHBondContact O-N 2.94Å; Y321-R324 WeakPolarHBondContact O-CB 3.41Å; Y321-R324 PolarHBondContact O-N 3.44Å; Y321-K325 WeakPolarHBondContact O-CB 3.41Å; Y321-K325 PolarHBondContact O-N 3.36Å
322	M	89.9	Confident	85.7	Confident	24 Å²	24	63.3 Å²	63.3	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-44.5	177.9	-73.6	-58.4	-174.1	0	0	112.6	T210 F318 H319 R324 K325 L326	T210-M322 HydrophobicContact CG2-CB 4.46Å; T210-M322 HydrophobicContact CG2-CG 3.99Å; F318-M322 HydrophobicContact CE1-CE 4.12Å; F318-M322 HydrophobicContact CE1-CG 4.35Å; F318-M322 HydrophobicContact CE2-CE 3.65Å; F318-M322 HydrophobicContact CZ-CE 3.3Å; F318-M322 HydrophobicContact CZ-CG 4.3Å; F318-M322 PolarHBondContact O-N 3.29Å; H319-M322 PolarHBondContact O-N 3.12Å; H319-M322 VanDerWaalsContact O-N 3.16Å; M322-R324 VanDerWaalsContact C-N 3.26Å; M322-R324 PolarHBondContact O-N 2.97Å; M322-K325 WeakPolarHBondContact O-CB 3.12Å; M322-K325 PolarHBondContact O-N 2.86Å; M322-K325 VanDerWaalsContact O-N 3.15Å; M322-K325 HydrophobicContact SD-CD 4.12Å; M322-L326 WeakPolarHBondContact O-CG 3.35Å; M322-L326 PolarHBondContact O-N 3.28Å
323	L	88.6	Confident	83.3	Confident	20 Å²	20	69.8 Å²	69.8	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-35.5	173.8	-73.2	-177.6	0	0	0	112.3	H319 G327 L328 W329	H319-L323 WeakPolarHBondContact NE2-CD1 3.05Å; H319-L323 PolarHBondContact O-N 3.02Å; L323-G327 PolarHBondContact O-N 3.36Å; L323-L328 HydrophobicContact CB-CB 4.49Å; L323-L328 HydrophobicContact CD2-CB 3.9Å; L323-L328 HydrophobicContact CD2-CD1 4.11Å; L323-L328 WeakPolarHBondContact O-CA 3.38Å; L323-L328 PolarHBondContact O-N 3.38Å; L323-W329 HydrophobicContact CB-CB 4.32Å; L323-W329 HydrophobicContact CB-CE3 3.92Å; L323-W329 HydrophobicContact CD1-CE3 3.68Å; L323-W329 HydrophobicContact CD1-CZ3 3.91Å; L323-W329 HydrophobicContact CG-CE3 4.48Å; L323-W329 PolarHBondContact O-N 3.36Å; L323-W329 VanDerWaalsContact O-N 3.15Å
324	R	88.7	Confident	80.6	Confident	134 Å²	134	75.1 Å²	75.1	51%	0.506	37%	0.371	S	S	.	.	H	α-helix	trans	-70.2	-41.9	173.8	-76.3	174.3	169.1	-166	-11.3	112.1	R320 Y321 M322 L326 G327 W329	R320-R324 WeakPolarHBondContact O-CB 3.36Å; R320-R324 VanDerWaalsContact O-CG 3.3Å; R320-R324 WeakPolarHBondContact O-CG 3.18Å; R320-R324 PolarHBondContact O-N 3.3Å; Y321-R324 WeakPolarHBondContact O-CB 3.41Å; Y321-R324 PolarHBondContact O-N 3.44Å; M322-R324 VanDerWaalsContact C-N 3.26Å; M322-R324 PolarHBondContact O-N 2.97Å; R324-L326 VanDerWaalsContact C-N 3.29Å; R324-L326 PolarHBondContact O-N 2.87Å; R324-G327 PolarHBondContact O-N 3.33Å; R324-G327 VanDerWaalsContact O-N 3.08Å; R324-W329 HydrophobicContact CB-CB 4.43Å; R324-W329 HydrophobicContact CG-CB 3.53Å; R324-W329 HydrophobicContact CG-CD2 4.41Å; R324-W329 HydrophobicContact CG-CG 3.69Å
325	K	86.2	Confident	77.8	Confident	129 Å²	129	70.6 Å²	70.6	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-59.6	-39.7	177.7	-177.6	-173.2	172.3	-167.1	0	111.7	Y321 M322 G327	Y321-K325 WeakPolarHBondContact O-CB 3.41Å; Y321-K325 PolarHBondContact O-N 3.36Å; M322-K325 WeakPolarHBondContact O-CB 3.12Å; M322-K325 PolarHBondContact O-N 2.86Å; M322-K325 VanDerWaalsContact O-N 3.15Å; M322-K325 HydrophobicContact SD-CD 4.12Å; K325-G327 VanDerWaalsContact C-N 3.31Å
326	L	84.1	Confident	75	Confident	45 Å²	45	76.8 Å²	76.8	24%	0.236	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.5	177.3	-64.3	173.3	0	0	0	113.7	V131 L135 M322 R324 L328	V131-L326 HydrophobicContact CG1-CD2 4.47Å; L135-L326 HydrophobicContact CD1-CD2 3.85Å; M322-L326 WeakPolarHBondContact O-CG 3.35Å; M322-L326 PolarHBondContact O-N 3.28Å; R324-L326 VanDerWaalsContact C-N 3.29Å; R324-L326 PolarHBondContact O-N 2.87Å; L326-L328 HydrophobicContact CB-CD1 3.93Å; L326-L328 HydrophobicContact CB-CG 4.02Å; L326-L328 HydrophobicContact CD1-CD1 4.1Å; L326-L328 PolarHBondContact O-N 2.96Å
327	G	80	Confident	72.4	Confident	55 Å²	55	81 Å²	81	57%	0.567	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	7.2	-177.6	0	0	0	0	0	114.9	L323 R324 K325	L323-G327 PolarHBondContact O-N 3.36Å; R324-G327 PolarHBondContact O-N 3.33Å; R324-G327 VanDerWaalsContact O-N 3.08Å; K325-G327 VanDerWaalsContact C-N 3.31Å
328	L	81.8	Confident	69.6	Low	70 Å²	70	87 Å²	87	37%	0.366	44%	0.44	S	S	.	.			trans	-81.2	-17.7	-175.6	-66.3	172.9	0	0	0	113.3	R247 L323 L326 K330	R247-L328 PolarHBondContact NH1-O 3.42Å; R247-L328 PolarHBondContact NH2-O 3.35Å; L323-L328 HydrophobicContact CB-CB 4.49Å; L323-L328 HydrophobicContact CD2-CB 3.9Å; L323-L328 HydrophobicContact CD2-CD1 4.11Å; L323-L328 WeakPolarHBondContact O-CA 3.38Å; L323-L328 PolarHBondContact O-N 3.38Å; L326-L328 HydrophobicContact CB-CD1 3.93Å; L326-L328 HydrophobicContact CB-CG 4.02Å; L326-L328 HydrophobicContact CD1-CD1 4.1Å; L326-L328 PolarHBondContact O-N 2.96Å; L328-K330 PolarHBondContact O-N 2.76Å
329	W	80.7	Confident	66.6	Low	30 Å²	30	87.8 Å²	87.8	11%	0.114	45%	0.451	C	S	.	.			trans	-69.5	15.6	-176.2	-168	-95.3	0	0	0	116.4	K250 W253 V254 R320 L323 R324	K250-W329 HydrophobicContact CG-CZ2 4.28Å; W253-W329 HydrophobicContact CB-CH2 3.65Å; W253-W329 HydrophobicContact CB-CZ3 3.78Å; W253-W329 HydrophobicContact CG-CH2 4.5Å; W253-W329 HydrophobicContact CG-CZ3 4.14Å; V254-W329 HydrophobicContact CG2-CH2 4.41Å; V254-W329 HydrophobicContact CG2-CZ2 3.99Å; R320-W329 HydrophobicContact CB-CE3 4.32Å; R320-W329 HydrophobicContact CB-CH2 4.09Å; R320-W329 HydrophobicContact CB-CZ3 3.88Å; R320-W329 HydrophobicContact CG-CD2 4.05Å; R320-W329 HydrophobicContact CG-CE3 3.93Å; R320-W329 HydrophobicContact CG-CH2 3.7Å; R320-W329 HydrophobicContact CG-CZ2 3.83Å; R320-W329 HydrophobicContact CG-CZ3 3.75Å; L323-W329 HydrophobicContact CB-CB 4.32Å; L323-W329 HydrophobicContact CB-CE3 3.92Å; L323-W329 HydrophobicContact CD1-CE3 3.68Å; L323-W329 HydrophobicContact CD1-CZ3 3.91Å; L323-W329 HydrophobicContact CG-CE3 4.48Å; L323-W329 PolarHBondContact O-N 3.36Å; L323-W329 VanDerWaalsContact O-N 3.15Å; R324-W329 HydrophobicContact CB-CB 4.43Å; R324-W329 HydrophobicContact CG-CB 3.53Å; R324-W329 HydrophobicContact CG-CD2 4.41Å; R324-W329 HydrophobicContact CG-CG 3.69Å
330	K	68.1	Low	63.8	Low	130 Å²	130	95.5 Å²	95.5	57%	0.565	49%	0.491	S	S	*	.	S	Bend	trans	-101.3	151.1	173.4	-69.6	-179.2	178.5	177	0	110.7	R247 L328 A332	R247-K330 PolarHBondContact NH2-O 2.72Å; L328-K330 PolarHBondContact O-N 2.76Å; K330-A332 PolarHBondContact O-N 3.43Å
331	D	56.8	Low	60.8	Low	61 Å²	61	101 Å²	101	33%	0.326	52%	0.517	S	S	.	.			trans	-63.7	117.1	175.4	-66.7	-53.8	0	0	0	108	K250 N333 L334	K250-D331 WeakPolarHBondContact CB-OD1 3.41Å; K250-D331 IonicContact NZ-OD2 2.97Å; K250-D331 PolarHBondContact NZ-OD2 3.41Å; D331-N333 PolarHBondContact O-N 3.27Å; D331-L334 HydrophobicContact CB-CD1 4.44Å; D331-L334 PolarHBondContact O-N 3.41Å
332	A	51.2	Low	57.9	Low	77 Å²	77	103.5 Å²	103.5	64%	0.636	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-56.5	-18.6	-175.7	0	0	0	0	0	113	K330	K330-A332 PolarHBondContact O-N 3.43Å
333	N	44	Very low	55.2	Low	137 Å²	137	109.7 Å²	109.7	73%	0.733	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-88.1	1	179.4	-73.4	-15.1	0	0	0	115.2	D331	D331-N333 PolarHBondContact O-N 3.27Å
334	L	40.5	Very low	52.6	Low	145 Å²	145	114.6 Å²	114.6	76%	0.759	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-108	1.8	179.6	-91	164	0	0	0	114.4	D331	D331-L334 HydrophobicContact CB-CD1 4.44Å; D331-L334 PolarHBondContact O-N 3.41Å
335	T	35.4	Very low	49.9	Very low	55 Å²	55	119.9 Å²	119.9	34%	0.337	62%	0.615	S	S	.	*			trans	-129.6	89.7	178.6	37.2	0	0	0	0	110.7	T337	T335-T337 WeakPolarHBondContact CB-OG1 3.46Å; T335-T337 PolarHBondContact O-N 2.8Å; T335-T337 PolarHBondContact O-OG1 3.02Å
336	D	35.8	Very low	47.6	Very low	139 Å²	139	119.1 Å²	119.1	74%	0.743	63%	0.626	S	S	*	*			trans	-46.1	68.8	151	-81.5	-38.2	0	0	0	111.4	T339	D336-T339 VanDerWaalsContact CA-OG1 3.29Å; D336-T339 WeakPolarHBondContact CA-OG1 3.47Å; D336-T339 WeakPolarHBondContact CB-OG1 3.15Å; D336-T339 PolarHBondContact OD1-OG1 3.24Å
337	T	40.3	Very low	45.1	Very low	88 Å²	88	121.6 Å²	121.6	54%	0.54	65%	0.653	S	S	.	*	S	Bend	trans	-92.7	-7.7	-177.4	-30.2	0	0	0	0	111.7	T335	T335-T337 WeakPolarHBondContact CB-OG1 3.46Å; T335-T337 PolarHBondContact O-N 2.8Å; T335-T337 PolarHBondContact O-OG1 3.02Å
338	F	35.6	Very low	43	Very low	207 Å²	207	125.1 Å²	125.1	91%	0.908	67%	0.669	S	S	*	*	S	Bend	trans	-131.1	-0.5	177.2	-66.4	-72.3	0	0	0	114.3	L340	F338-L340 PolarHBondContact O-N 3.45Å
339	T	32	Very low	40.7	Very low	84 Å²	84	124.9 Å²	124.9	52%	0.515	68%	0.684	S	S	.	*			trans	-93.2	86	168.8	37.1	0	0	0	0	107	D336 K341	D336-T339 VanDerWaalsContact CA-OG1 3.29Å; D336-T339 WeakPolarHBondContact CA-OG1 3.47Å; D336-T339 WeakPolarHBondContact CB-OG1 3.15Å; D336-T339 PolarHBondContact OD1-OG1 3.24Å; T339-K341 PolarHBondContact O-N 3.37Å
340	L	34.3	Very low	38.6	Very low	170 Å²	170	128.6 Å²	128.6	89%	0.89	72%	0.715	S	S	*	*			trans	-51.8	118.6	161.2	-81.6	162.8	0	0	0	107	F338 E342	F338-L340 PolarHBondContact O-N 3.45Å; L340-E342 PolarHBondContact O-N 3.18Å
341	K	30.1	Very low	37.1	Very low	183 Å²	183	129.2 Å²	129.2	80%	0.796	72%	0.724	S	S	*	*			trans	-31.9	99.9	175.8	-71	172.1	168.1	-177.9	0	113.1	T339	T339-K341 PolarHBondContact O-N 3.37Å
342	E	32.1	Very low	36.2	Very low	191 Å²	191	133 Å²	133	89%	0.893	75%	0.749	S	S	*	*			trans	-97.3	78.9	146.7	-76.6	-173	163.4	0	0	106.9	L340	L340-E342 PolarHBondContact O-N 3.18Å
343	E	34	Very low	35.4	Very low	153 Å²	153	132.7 Å²	132.7	72%	0.715	75%	0.754	S	S	*	*			trans	-73.4	131.1	162.4	-82.3	-173.9	170.7	0	0	108.4	R345	E343-R345 PolarHBondContact O-N 3.37Å
344	P	33.1	Very low	35	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	76%	0.757	S	S	*	*			trans	-72.3	103.4	179.8	29.2	-30.9	0	0	0	108.8	S346	P344-S346 PolarHBondContact O-N 3.06Å
345	R	32.5	Very low	34.7	Very low	245 Å²	245	131.1 Å²	131.1	93%	0.925	76%	0.763	S	S	*	*			trans	-71.6	96.2	167.2	-77.3	-176.1	176.2	171.1	-0.8	109	E343 A347	E343-R345 PolarHBondContact O-N 3.37Å; R345-A347 PolarHBondContact O-N 3.07Å
346	S	36.8	Very low	34.6	Very low	113 Å²	113	138.4 Å²	138.4	79%	0.79	79%	0.79	S	S	*	*			trans	-56.1	118.1	160.6	39.3	0	0	0	0	111	P344	P344-S346 PolarHBondContact O-N 3.06Å
347	A	33	Very low	34.5	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	80%	0.798	S	S	*	*	S	Bend	trans	37.2	106.8	146.2	0	0	0	0	0	119.4	R345	R345-A347 PolarHBondContact O-N 3.07Å
348	S	35.1	Very low	34.1	Very low	129 Å²	129	145.3 Å²	145.3	90%	0.902	81%	0.811	S	S	*	*			trans	162.1	120.8	134.1	167.8	0	0	0	0	112.3
349	G	34.4	Very low	33.9	Very low	65 Å²	65	140 Å²	140	67%	0.67	81%	0.806	S	S	*	*			trans	86.6	88.7	158.7	0	0	0	0	0	115.3
350	S	35.6	Very low	33.8	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	83%	0.825	S	S	*	*				72.2	115.5	92.9	76.7	0	0	0	0	115.2
351	D	35.7	Very low	33.5	Very low	142 Å²	142	146 Å²	146	76%	0.759	82%	0.824	S	S	*	*			trans	93.1	107	145.8	-65.2	-9.7	0	0	0	121.4
352	T	38	Very low	33.5	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	82%	0.824	S	S	*	*			trans	85	113.5	136.1	61.6	0	0	0	0	119.9
353	G	34.7	Very low	33.3	Very low	71 Å²	71	143.2 Å²	143.2	73%	0.732	82%	0.821	S	S	*	*			trans	135.3	84.5	146.5	0	0	0	0	0	118.9
354	S	35.3	Very low	33	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	82%	0.823	S	S	*	*			trans	55.4	127.3	148.8	65.7	0	0	0	0	121.9
355	P	34	Very low	32.8	Very low	134 Å²	134	141.2 Å²	141.2	87%	0.87	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-92.7	134	175.7	35.5	-28.9	0	0	0	112.5
356	K	33.3	Very low	32.7	Very low	207 Å²	207	135.4 Å²	135.4	90%	0.9	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-94.5	124.4	166.7	-103	-179.5	176.7	178.3	0	110
357	K	33.8	Very low	32.4	Very low	211 Å²	211	135.4 Å²	135.4	92%	0.917	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-51.7	132.6	175.4	-76.3	175.1	169.6	-179.4	0	112.8
358	I	32.2	Very low	32.2	Very low	161 Å²	161	139.6 Å²	139.6	83%	0.826	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.2	127	162.4	-65.8	170.9	0	0	0	107.1
359	A	31.2	Very low	32	Very low	97 Å²	97	138.3 Å²	138.3	80%	0.802	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.3	123.7	177.2	0	0	0	0	0	110.4
360	Q	30	Very low	31.8	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.2	128.7	167.6	-79.6	171.8	-26.7	0	0	109.3
361	E	28.7	Very low	31.5	Very low	187 Å²	187	144.6 Å²	144.6	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.4	139.6	165.4	-74	-177.4	158.5	0	0	110.2	K363	E361-K363 PolarHBondContact O-N 3Å
362	P	30.5	Very low	31.4	Very low	123 Å²	123	145.2 Å²	145.2	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77.6	124.6	-172.8	30.7	-32.5	0	0	0	111.2
363	K	27.4	Very low	31.2	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	82%	0.815	S	S	*	*			trans	-91.6	107.3	168.8	-151.9	179.3	-172.1	-175.1	0	107.8	E361 V365	E361-K363 PolarHBondContact O-N 3Å; K363-V365 PolarHBondContact O-N 3.04Å
364	V	27.9	Very low	31.1	Very low	126 Å²	126	147.1 Å²	147.1	76%	0.764	81%	0.813	S	S	*	*			trans	-72.8	108.5	173.4	179.4	0	0	0	0	108.1	V366	V364-V366 HydrophobicContact CG1-CG2 4.16Å
365	V	29	Very low	30.9	Very low	108 Å²	108	148.3 Å²	148.3	66%	0.655	82%	0.816	S	S	*	*			trans	-98.2	110.8	168.8	177.4	0	0	0	0	106.5	K363 T367	K363-V365 PolarHBondContact O-N 3.04Å; V365-T367 PolarHBondContact O-N 3.43Å
366	V	29.9	Very low	31	Very low	123 Å²	123	147.4 Å²	147.4	75%	0.745	81%	0.812	S	S	*	*			trans	-85.5	105.2	167.3	179.9	0	0	0	0	106.9	V364 Q368	V364-V366 HydrophobicContact CG1-CG2 4.16Å; V366-Q368 PolarHBondContact O-N 2.89Å
367	T	29.9	Very low	30.9	Very low	113 Å²	113	141.4 Å²	141.4	69%	0.693	81%	0.81	S	S	*	*			trans	-73.9	111.8	172.2	-48	0	0	0	0	108.5	V365 S369	V365-T367 PolarHBondContact O-N 3.43Å; T367-S369 PolarHBondContact O-N 3.31Å
368	Q	29.7	Very low	30.8	Very low	186 Å²	186	135 Å²	135	87%	0.869	80%	0.803	S	S	*	*			trans	-74.9	101.5	160.8	-75.9	179.9	-9.8	0	0	107.3	V366	V366-Q368 PolarHBondContact O-N 2.89Å
369	S	31.8	Very low	30.8	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-91.8	121.8	164.6	52.8	0	0	0	0	108.7	T367	T367-S369 PolarHBondContact O-N 3.31Å
370	D	30.3	Very low	30.8	Very low	166 Å²	166	138.7 Å²	138.7	89%	0.888	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-49.2	133.9	174.4	-73.5	-45.7	0	0	0	112.3
371	T	29.3	Very low	31.1	Very low	141 Å²	141	134.9 Å²	134.9	87%	0.865	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.7	118.4	177.4	32.8	0	0	0	0	111.4
372	L	33.4	Very low	31.7	Very low	155 Å²	155	133.1 Å²	133.1	81%	0.812	79%	0.788	S	S	*	*			trans	-129.8	111.4	149.8	-95.1	162.1	0	0	0	107.8
373	E	32.4	Very low	32.1	Very low	184 Å²	184	132.9 Å²	132.9	86%	0.86	79%	0.787	S	S	*	*			trans	51.6	118.3	149.3	-61.5	-176.5	161.5	0	0	120.3
374	G	32.3	Very low	32.5	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	79%	0.787	S	S	*	*			trans	108.8	96.7	131.7	0	0	0	0	0	118.2
375	T	32.7	Very low	33	Very low	141 Å²	141	129.9 Å²	129.9	87%	0.865	79%	0.785	S	S	*	*			trans	83.6	110.2	131.4	-38	0	0	0	0	119.4
376	S	35	Very low	33.5	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	79%	0.792	S	S	*	*			trans	74.4	106.1	138.8	-176.6	0	0	0	0	120.7
377	G	31.2	Very low	34.1	Very low	82 Å²	82	132.4 Å²	132.4	85%	0.845	80%	0.797	S	S	*	*				76.5	107.2	128.4	0	0	0	0	0	118.1
378	G	32.6	Very low	34.5	Very low	75 Å²	75	131 Å²	131	77%	0.773	80%	0.797	S	S	*	*			trans	-158.7	104.4	169	0	0	0	0	0	112.2
379	E	30.6	Very low	34.9	Very low	179 Å²	179	128.3 Å²	128.3	84%	0.836	79%	0.793	S	S	*	*			trans	-64	134.4	172.5	-177.1	178.4	172.7	0	0	111.6	V381	E379-V381 HydrophobicContact CG-CG2 4.42Å
380	I	32.8	Very low	34.9	Very low	157 Å²	157	128.4 Å²	128.4	81%	0.805	79%	0.794	S	S	*	*			trans	-90	106.8	174.5	-59.9	172.5	0	0	0	108.7
381	V	36.2	Very low	35	Very low	112 Å²	112	127.7 Å²	127.7	68%	0.679	79%	0.79	S	S	*	*			trans	-96.1	125.1	167.8	178.5	0	0	0	0	108.8	E379 P383	E379-V381 HydrophobicContact CG-CG2 4.42Å; V381-P383 WeakPolarHBondContact O-CD 3.23Å
382	I	41	Very low	35.2	Very low	151 Å²	151	129.1 Å²	129.1	77%	0.774	79%	0.789	S	S	*	*			trans	-89.6	115.9	175.3	-58	169.5	0	0	0	108.3
383	P	38.7	Very low	35.2	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	79%	0.791	S	S	*	*			trans	-80.9	126.6	174.3	-5.4	23.5	0	0	0	110.5	V381 D385	V381-P383 WeakPolarHBondContact O-CD 3.23Å; P383-D385 PolarHBondContact O-N 3.35Å
384	S	34.8	Very low	35.2	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	80%	0.795	S	S	*	*			trans	-84.6	87.3	173.3	47.6	0	0	0	0	111.1
385	D	39.1	Very low	35.3	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	80%	0.801	S	S	*	*			trans	-164.5	123.4	149.6	-131.5	-22.5	0	0	0	112.1	P383 N387	P383-D385 PolarHBondContact O-N 3.35Å; D385-N387 PolarHBondContact O-N 2.91Å
386	P	40.1	Very low	35.2	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	9.7	-168	-9.9	28	0	0	0	117
387	N	42.2	Very low	35	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	12.7	-169.6	-86.7	-27.4	0	0	0	116.1	D385	D385-N387 PolarHBondContact O-N 2.91Å
388	A	38.5	Very low	35.1	Very low	84 Å²	84	141.4 Å²	141.4	69%	0.694	80%	0.802	S	S	*	*			trans	-121.4	58.6	-172.8	0	0	0	0	0	113.7
389	V	36.8	Very low	35.4	Very low	128 Å²	128	142.8 Å²	142.8	78%	0.776	80%	0.797	S	S	*	*			trans	-144.8	82.2	158.5	-167.3	0	0	0	0	109.6
390	S	33.3	Very low	36	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	80%	0.796	S	S	*	*			trans	-109.8	132.8	151.1	43.8	0	0	0	0	107.3
391	N	31.8	Very low	36.1	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	79%	0.792	S	S	*	*			trans	82.3	78.4	175.6	-47.8	-16.7	0	0	0	115.8
392	M	33.5	Very low	36.6	Very low	171 Å²	171	139.6 Å²	139.6	84%	0.842	80%	0.795	S	S	*	*			trans	-137.4	113.9	142.7	-99.7	-176.7	-83.6	0	0	108.6
393	E	34.3	Very low	37.1	Very low	183 Å²	183	139.8 Å²	139.8	86%	0.855	79%	0.793	S	S	*	*			trans	3.1	118.5	169.3	-69.9	165.2	159.8	0	0	118.8	L395	E393-L395 PolarHBondContact O-N 2.94Å
394	E	30.7	Very low	37.6	Very low	200 Å²	200	143.2 Å²	143.2	94%	0.935	80%	0.796	S	S	*	*			trans	-56.4	100.6	157	-68.9	175.2	152.5	0	0	108.9
395	L	34.8	Very low	38.2	Very low	159 Å²	159	147 Å²	147	83%	0.832	80%	0.801	S	S	*	*			trans	-76.9	120.3	161.6	-138.6	95.2	0	0	0	107.2	E393 C397	E393-L395 PolarHBondContact O-N 2.94Å; L395-C397 PolarHBondContact O-N 2.96Å
396	D	31	Very low	39.2	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	79%	0.791	S	S	*	*			trans	-41.3	101.8	179.8	-78.5	-45.1	0	0	0	113.1	E398	D396-E398 PolarHBondContact O-N 3.44Å
397	C	31.9	Very low	40.9	Very low	126 Å²	126	140.4 Å²	140.4	85%	0.851	78%	0.775	S	S	*	*			trans	-78.4	103.5	160.8	-84.1	0	0	0	0	107.8	L395	L395-C397 PolarHBondContact O-N 2.96Å
398	E	31.4	Very low	42.6	Very low	167 Å²	167	138.2 Å²	138.2	78%	0.78	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-47.1	130.6	170.6	-158.1	175.8	-171.7	0	0	110.2	D396	D396-E398 PolarHBondContact O-N 3.44Å
399	P	40	Very low	44.5	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60	145.8	-179.8	24.8	-33.2	0	0	0	110.1	I401	P399-I401 PolarHBondContact O-N 2.97Å
400	P	43.2	Very low	46.5	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-58.8	120.8	-179.6	24.8	-32.2	0	0	0	109.2
401	I	35.6	Very low	48.6	Very low	142 Å²	142	137.1 Å²	137.1	73%	0.728	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-48.3	124.4	173.7	-59.3	165.7	0	0	0	107.5	P399 E403	P399-I401 PolarHBondContact O-N 2.97Å; I401-E403 PolarHBondContact O-N 3.31Å
402	P	45.4	Very low	50.9	Low	116 Å²	116	132.1 Å²	132.1	75%	0.753	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-57.8	119.4	179.7	20.8	-30.4	0	0	0	109.1	K404	P402-K404 PolarHBondContact O-N 2.98Å
403	E	51.2	Low	53.2	Low	155 Å²	155	127.3 Å²	127.3	72%	0.724	68%	0.682	S	S	*	*			trans	-50.5	113.2	178.9	-83.8	-173.5	157.5	0	0	109.4	I401 Q405 H414	I401-E403 PolarHBondContact O-N 3.31Å; E403-Q405 PolarHBondContact O-N 3.1Å; E403-H414 IonicContact OE1-CE1 3.8Å; E403-H414 PolarHBondContact OE1-CE1 3.32Å; E403-H414 IonicContact OE1-ND1 3.18Å
404	K	49.6	Very low	55.4	Low	188 Å²	188	122.9 Å²	122.9	82%	0.817	66%	0.662	S	S	*	*			trans	-51.4	123.8	173.7	-156	175.3	-170.4	176.3	0	107.7	P402 S406	P402-K404 PolarHBondContact O-N 2.98Å; K404-S406 PolarHBondContact O-N 3.45Å; K404-S406 PolarHBondContact O-OG 3.39Å
405	Q	48.6	Very low	57.8	Low	201 Å²	201	117.5 Å²	117.5	94%	0.939	64%	0.636	S	S	*	*			trans	-52.9	84.9	179.3	-73.7	-178.4	-7.6	0	0	110.6	E403	E403-Q405 PolarHBondContact O-N 3.1Å
406	S	58.8	Low	60	Low	74 Å²	74	110.2 Å²	110.2	52%	0.517	60%	0.598	S	S	.	*			trans	-80.4	134.7	178.7	-69.2	0	0	0	0	107.2	K404	K404-S406 PolarHBondContact O-N 3.45Å; K404-S406 PolarHBondContact O-OG 3.39Å
407	G	76.7	Confident	62.3	Low	45 Å²	45	104.5 Å²	104.5	46%	0.464	57%	0.566	S	S	.	*			trans	-53.1	167.7	173.4	0	0	0	0	0	111.8	I409 G410 R411	G407-I409 PolarHBondContact O-N 2.91Å; G407-G410 WeakPolarHBondContact O-CA 3.44Å; G407-G410 PolarHBondContact O-N 3.13Å; G407-R411 PolarHBondContact O-N 3.43Å
408	P	77.1	Confident	64.4	Low	116 Å²	116	105 Å²	105	75%	0.753	56%	0.555	S	S	*	*	H	α-helix	trans	-53.7	-34.6	-174.5	21.8	-33.6	0	0	0	113	F412	P408-F412 WeakPolarHBondContact O-CB 3.29Å; P408-F412 PolarHBondContact O-N 2.87Å
409	I	78.1	Confident	66.5	Low	126 Å²	126	98.2 Å²	98.2	65%	0.646	53%	0.526	S	S	*	.	H	α-helix	trans	-69.5	-44.5	175.8	-62.4	165.2	0	0	0	111.5	G407 R411 F412 I413	G407-I409 PolarHBondContact O-N 2.91Å; I409-R411 VanDerWaalsContact C-N 3.32Å; I409-R411 PolarHBondContact O-N 2.85Å; I409-F412 WeakPolarHBondContact O-CB 3.29Å; I409-F412 PolarHBondContact O-N 3.04Å; I409-F412 VanDerWaalsContact O-N 3.17Å; I409-I413 HydrophobicContact CG2-CD1 3.84Å; I409-I413 HydrophobicContact CG2-CG1 4.4Å; I409-I413 WeakPolarHBondContact O-CG1 3.49Å; I409-I413 PolarHBondContact O-N 3.36Å
410	G	79.4	Confident	67.8	Low	28 Å²	28	102.7 Å²	102.7	29%	0.289	53%	0.534	S	S	.	.	H	α-helix	trans	-64	-39.1	177.9	0	0	0	0	0	111.8	G407 I413 H414	G407-G410 WeakPolarHBondContact O-CA 3.44Å; G407-G410 PolarHBondContact O-N 3.13Å; G410-I413 PolarHBondContact O-N 3.47Å; G410-H414 VanDerWaalsContact O-CB 3.32Å; G410-H414 WeakPolarHBondContact O-CB 3.44Å; G410-H414 PolarHBondContact O-N 2.71Å
411	R	77.9	Confident	69	Low	138 Å²	138	105.3 Å²	105.3	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-41.4	171.9	-171.2	177.6	-177.6	171.7	4.3	112	G407 I409 H414 Q415	G407-R411 PolarHBondContact O-N 3.43Å; I409-R411 VanDerWaalsContact C-N 3.32Å; I409-R411 PolarHBondContact O-N 2.85Å; R411-H414 PolarHBondContact O-N 2.92Å; R411-Q415 WeakPolarHBondContact O-CB 3.43Å; R411-Q415 VanDerWaalsContact O-CG 3.23Å; R411-Q415 WeakPolarHBondContact O-CG 3.25Å; R411-Q415 PolarHBondContact O-N 2.94Å
412	F	80.6	Confident	70.6	Confident	47 Å²	47	104.4 Å²	104.4	21%	0.206	52%	0.521	C	S	.	.	H	α-helix	trans	-62.4	-46.1	176.1	176.7	-99.6	0	0	0	112	L243 P408 I409 Q415 L416	L243-F412 HydrophobicContact CB-CE1 4.41Å; L243-F412 HydrophobicContact CB-CZ 3.94Å; P408-F412 WeakPolarHBondContact O-CB 3.29Å; P408-F412 PolarHBondContact O-N 2.87Å; I409-F412 WeakPolarHBondContact O-CB 3.29Å; I409-F412 PolarHBondContact O-N 3.04Å; I409-F412 VanDerWaalsContact O-N 3.17Å; F412-Q415 PolarHBondContact O-N 3.09Å; F412-L416 WeakPolarHBondContact O-CB 3.5Å; F412-L416 PolarHBondContact O-N 3.45Å
413	I	81.6	Confident	71.7	Confident	69 Å²	69	103.9 Å²	103.9	35%	0.354	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-41.7	178.5	-67.4	172	0	0	0	111	I409 G410 Q415 L416 F417	I409-I413 HydrophobicContact CG2-CD1 3.84Å; I409-I413 HydrophobicContact CG2-CG1 4.4Å; I409-I413 WeakPolarHBondContact O-CG1 3.49Å; I409-I413 PolarHBondContact O-N 3.36Å; G410-I413 PolarHBondContact O-N 3.47Å; I413-Q415 VanDerWaalsContact C-N 3.35Å; I413-Q415 PolarHBondContact O-N 2.94Å; I413-L416 WeakPolarHBondContact O-CB 3.26Å; I413-L416 PolarHBondContact O-N 3.49Å; I413-F417 HydrophobicContact CG2-CD2 3.62Å; I413-F417 HydrophobicContact CG2-CE2 3.35Å; I413-F417 HydrophobicContact CG2-CZ 4.44Å; I413-F417 WeakPolarHBondContact O-CD2 3.27Å; I413-F417 PolarHBondContact O-N 3.31Å
414	H	80.4	Confident	72.7	Confident	91 Å²	91	100.2 Å²	100.2	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-44.2	175.3	-174.7	-104.7	0	0	0	111.6	E403 G410 R411 L416 F417 H418	E403-H414 IonicContact OE1-CE1 3.8Å; E403-H414 PolarHBondContact OE1-CE1 3.32Å; E403-H414 IonicContact OE1-ND1 3.18Å; G410-H414 VanDerWaalsContact O-CB 3.32Å; G410-H414 WeakPolarHBondContact O-CB 3.44Å; G410-H414 PolarHBondContact O-N 2.71Å; R411-H414 PolarHBondContact O-N 2.92Å; H414-L416 VanDerWaalsContact C-N 3.29Å; H414-L416 PolarHBondContact O-N 3.44Å; H414-F417 PolarHBondContact O-N 3.1Å; H414-H418 AromaticContact CD2-CD2 3.89Å; H414-H418 AromaticContact NE2-CD2 3.91Å; H414-H418 PolarHBondContact O-N 3.23Å
415	Q	79.5	Confident	73.8	Confident	86 Å²	86	95.1 Å²	95.1	40%	0.402	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-30.7	175	-74.4	175.6	-4.8	0	0	113.2	R411 F412 I413	R411-Q415 WeakPolarHBondContact O-CB 3.43Å; R411-Q415 VanDerWaalsContact O-CG 3.23Å; R411-Q415 WeakPolarHBondContact O-CG 3.25Å; R411-Q415 PolarHBondContact O-N 2.94Å; F412-Q415 PolarHBondContact O-N 3.09Å; I413-Q415 VanDerWaalsContact C-N 3.35Å; I413-Q415 PolarHBondContact O-N 2.94Å
416	L	81.5	Confident	75.3	Confident	6 Å²	6	87.9 Å²	87.9	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-68.8	-45.6	176.3	178.2	56.6	0	0	0	111.7	L243 F412 I413 H414 L497 I547	L243-L416 HydrophobicContact CD2-CD2 4.42Å; L243-L416 VanDerWaalsContact O-CD1 3.31Å; L243-L416 WeakPolarHBondContact O-CD1 3.19Å; F412-L416 WeakPolarHBondContact O-CB 3.5Å; F412-L416 PolarHBondContact O-N 3.45Å; I413-L416 WeakPolarHBondContact O-CB 3.26Å; I413-L416 PolarHBondContact O-N 3.49Å; H414-L416 VanDerWaalsContact C-N 3.29Å; H414-L416 PolarHBondContact O-N 3.44Å; L416-L497 HydrophobicContact CD2-CD1 4.36Å; L416-L497 HydrophobicContact CD2-CD2 4.11Å; L416-I547 HydrophobicContact CD1-CG2 4.21Å; L416-I547 HydrophobicContact CD2-CG2 4.35Å; L416-I547 HydrophobicContact CG-CG2 4.5Å
417	F	80.4	Confident	76.5	Confident	45 Å²	45	84.4 Å²	84.4	20%	0.197	41%	0.408	C	S	.	.	H	α-helix	trans	-80.8	-33.7	-177.8	-66.6	-51.6	0	0	0	113.6	I413 H414 P419 R422 V493 V494 L497	I413-F417 HydrophobicContact CG2-CD2 3.62Å; I413-F417 HydrophobicContact CG2-CE2 3.35Å; I413-F417 HydrophobicContact CG2-CZ 4.44Å; I413-F417 WeakPolarHBondContact O-CD2 3.27Å; I413-F417 PolarHBondContact O-N 3.31Å; H414-F417 PolarHBondContact O-N 3.1Å; F417-P419 VanDerWaalsContact O-CD 3.22Å; F417-P419 WeakPolarHBondContact O-CD 3.44Å; F417-R422 PolarHBondContact O-NH2 3.41Å; F417-V493 HydrophobicContact CD1-CG1 4.2Å; F417-V493 HydrophobicContact CE1-CG1 4.09Å; F417-V494 HydrophobicContact CD1-CG2 4.32Å; F417-V494 HydrophobicContact CE1-CB 4.43Å; F417-V494 HydrophobicContact CE1-CG2 3.75Å; F417-V494 HydrophobicContact CE2-CG2 4.38Å; F417-V494 HydrophobicContact CZ-CB 4.35Å; F417-V494 HydrophobicContact CZ-CG1 4.47Å; F417-V494 HydrophobicContact CZ-CG2 3.78Å; F417-L497 HydrophobicContact CE1-CD2 4.37Å; F417-L497 HydrophobicContact CZ-CD2 3.75Å
418	H	76.4	Confident	77.1	Confident	136 Å²	136	82.9 Å²	82.9	63%	0.63	39%	0.389	S	S	*	.	S	Bend	trans	-118.6	67.2	-179.4	-57.7	-69.4	0	0	0	111.8	H414	H414-H418 AromaticContact CD2-CD2 3.89Å; H414-H418 AromaticContact NE2-CD2 3.91Å; H414-H418 PolarHBondContact O-N 3.23Å
419	P	74.5	Confident	77.4	Confident	25 Å²	25	78.8 Å²	78.8	16%	0.162	36%	0.362	C	S	.	.			trans	-71.5	147.3	174.8	32.5	-35.5	0	0	0	110.8	N245 F417 F421 R422	N245-P419 WeakPolarHBondContact ND2-CB 3.47Å; F417-P419 VanDerWaalsContact O-CD 3.22Å; F417-P419 WeakPolarHBondContact O-CD 3.44Å; P419-F421 PolarHBondContact O-N 3.13Å; P419-R422 HydrophobicContact CG-CB 4.38Å
420	K	66.8	Low	77.9	Confident	199 Å²	199	76 Å²	76	87%	0.865	35%	0.348	S	S	*	.	S	Bend	trans	-61.2	-32.4	177	-69.6	-171.9	177.2	-173	0	113
421	F	69	Low	78.5	Confident	179 Å²	179	74.7 Å²	74.7	79%	0.785	33%	0.334	S	S	*	.	S	Bend	trans	-136.2	132.7	177.8	-61.4	-78.9	0	0	0	108.6	P419	P419-F421 PolarHBondContact O-N 3.13Å
422	R	69.1	Low	79.1	Confident	122 Å²	122	71.3 Å²	71.3	46%	0.46	32%	0.323	S	S	.	.			trans	-116.4	115.5	178.7	-170.5	178	-75.2	176.2	0.3	108.6	F417 P419 I424 N549	F417-R422 PolarHBondContact O-NH2 3.41Å; P419-R422 HydrophobicContact CG-CB 4.38Å; R422-I424 HydrophobicContact CG-CG1 3.96Å; R422-I424 PolarHBondContact O-N 3.06Å; R422-N549 VanDerWaalsContact CD-O 3.23Å; R422-N549 WeakPolarHBondContact CD-O 3.38Å; R422-N549 WeakPolarHBondContact CG-O 3.5Å
423	Y	68.4	Low	79.6	Confident	106 Å²	106	70.5 Å²	70.5	42%	0.416	33%	0.328	S	S	.	.			trans	-87.4	97.1	170.9	-173.5	-94.5	0	0	0	108.2	S17 R425 N549	S17-Y423 PolarHBondContact OG-OH 3.46Å; Y423-R425 HydrophobicContact CD1-CB 4.3Å; Y423-R425 HydrophobicContact CE1-CB 4.1Å; Y423-R425 PolarHBondContact O-N 2.75Å; Y423-N549 WeakPolarHBondContact O-CB 3.41Å; Y423-N549 PolarHBondContact O-ND2 2.95Å; Y423-N549 VanDerWaalsContact O-ND2 3.1Å
424	I	72.4	Confident	80.2	Confident	77 Å²	77	68.3 Å²	68.3	40%	0.395	32%	0.317	S	S	.	.			trans	-76.1	120.2	-176.2	-62.4	176.3	0	0	0	108.5	R422 P552	R422-I424 HydrophobicContact CG-CG1 3.96Å; R422-I424 PolarHBondContact O-N 3.06Å; I424-P552 HydrophobicContact CG2-CB 3.57Å
425	R	71.7	Confident	80.8	Confident	82 Å²	82	64 Å²	64	31%	0.309	30%	0.297	S	S	.	.			trans	-142.3	137.8	171.9	177.9	175.2	161.4	167.4	-8.5	108.7	Y423 L427 Q546	Y423-R425 HydrophobicContact CD1-CB 4.3Å; Y423-R425 HydrophobicContact CE1-CB 4.1Å; Y423-R425 PolarHBondContact O-N 2.75Å; R425-L427 HydrophobicContact CG-CD2 4.16Å; R425-L427 HydrophobicContact CG-CG 4.33Å; R425-Q546 PolarHBondContact O-OE1 3.42Å; R425-Q546 VanDerWaalsContact O-OE1 3.11Å
426	D	80.3	Confident	81.4	Confident	49 Å²	49	62.4 Å²	62.4	26%	0.262	29%	0.293	S	S	.	.			trans	-85.3	117.2	171.3	-162.8	-6.3	0	0	0	111.1	Y428 Y488 P552	D426-Y428 VanDerWaalsContact OD1-CB 3.23Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.36Å; D426-Y428 PolarHBondContact OD1-N 2.8Å; D426-Y488 WeakPolarHBondContact OD1-CE2 3.35Å; D426-Y488 PolarHBondContact OD2-OH 3.42Å; D426-P552 HydrophobicContact CB-CG 4.13Å
427	L	85.4	Confident	81.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.312	C	S	.	.			trans	-110.9	-0.9	175.8	-58	163.1	0	0	0	112.1	R425 P429 I430 M431 V542 W545 Q546	R425-L427 HydrophobicContact CG-CD2 4.16Å; R425-L427 HydrophobicContact CG-CG 4.33Å; L427-P429 VanDerWaalsContact C-CD 3.47Å; L427-P429 VanDerWaalsContact C-N 3.33Å; L427-I430 HydrophobicContact CD2-CD1 4.14Å; L427-I430 WeakPolarHBondContact O-CB 3.3Å; L427-I430 PolarHBondContact O-N 3.43Å; L427-M431 WeakPolarHBondContact O-CG 3.19Å; L427-M431 PolarHBondContact O-N 3.42Å; L427-V542 HydrophobicContact CB-CG1 3.8Å; L427-V542 HydrophobicContact CD1-CG1 4.41Å; L427-W545 HydrophobicContact CD1-CB 3.91Å; L427-W545 HydrophobicContact CD1-CD2 3.31Å; L427-W545 HydrophobicContact CD1-CE3 3.36Å; L427-W545 HydrophobicContact CD1-CG 3.57Å; L427-W545 HydrophobicContact CD1-CZ2 4.47Å; L427-W545 HydrophobicContact CD1-CZ3 3.99Å; L427-W545 HydrophobicContact CD2-CD2 4.32Å; L427-W545 HydrophobicContact CD2-CE3 3.69Å; L427-W545 HydrophobicContact CD2-CH2 3.84Å; L427-W545 HydrophobicContact CD2-CZ2 4.42Å; L427-W545 HydrophobicContact CD2-CZ3 3.41Å; L427-W545 VanDerWaalsContact CD2-CZ3 3.41Å; L427-W545 HydrophobicContact CG-CD2 4.45Å; L427-W545 HydrophobicContact CG-CE3 4.17Å; L427-W545 HydrophobicContact CG-CZ3 4.36Å; L427-Q546 HydrophobicContact CB-CB 4.47Å; L427-Q546 HydrophobicContact CD1-CB 4.3Å
428	Y	88.5	Confident	82.5	Confident	14 Å²	14	64 Å²	64	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-41.5	-177.4	-178.8	-91.6	0	0	0	113.3	D426 I430 M431 F432 R485 Y488	D426-Y428 VanDerWaalsContact OD1-CB 3.23Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.36Å; D426-Y428 PolarHBondContact OD1-N 2.8Å; Y428-I430 VanDerWaalsContact C-N 3.28Å; Y428-I430 PolarHBondContact O-N 3.46Å; Y428-M431 WeakPolarHBondContact O-CB 3.29Å; Y428-M431 PolarHBondContact O-N 3.1Å; Y428-M431 VanDerWaalsContact O-N 3.08Å; Y428-F432 HydrophobicContact CE1-CB 4.26Å; Y428-F432 PolarHBondContact O-N 2.92Å; Y428-R485 VanDerWaalsContact CZ-CD 3.5Å; Y428-R485 WeakPolarHBondContact OH-CA 3.04Å; Y428-R485 VanDerWaalsContact OH-CB 3.24Å; Y428-R485 WeakPolarHBondContact OH-CB 3.36Å; Y428-R485 VanDerWaalsContact OH-CD 3.23Å; Y428-R485 WeakPolarHBondContact OH-CD 3.41Å; Y428-Y488 VanDerWaalsContact CB-CD2 3.42Å; Y428-Y488 HydrophobicContact CD1-CD1 4.21Å; Y428-Y488 HydrophobicContact CD1-CD2 4.37Å; Y428-Y488 HydrophobicContact CD1-CE1 4.25Å; Y428-Y488 HydrophobicContact CD1-CE2 4.4Å; Y428-Y488 HydrophobicContact CD1-CG 4.26Å; Y428-Y488 HydrophobicContact CD2-CD1 4.18Å; Y428-Y488 AromaticContact CD2-CD2 3.56Å; Y428-Y488 HydrophobicContact CD2-CD2 3.56Å; Y428-Y488 HydrophobicContact CD2-CE2 4.29Å; Y428-Y488 AromaticContact CD2-CG 3.48Å; Y428-Y488 HydrophobicContact CD2-CG 3.48Å; Y428-Y488 VanDerWaalsContact CD2-CG 3.48Å; Y428-Y488 HydrophobicContact CE2-CD1 4.45Å; Y428-Y488 HydrophobicContact CE2-CD2 4.48Å; Y428-Y488 AromaticContact CE2-CG 3.97Å; Y428-Y488 HydrophobicContact CE2-CG 3.97Å; Y428-Y488 HydrophobicContact CG-CD1 4.07Å; Y428-Y488 AromaticContact CG-CD2 3.5Å; Y428-Y488 HydrophobicContact CG-CD2 3.5Å; Y428-Y488 HydrophobicContact CG-CE1 4.29Å; Y428-Y488 AromaticContact CG-CE2 3.76Å; Y428-Y488 HydrophobicContact CG-CE2 3.76Å; Y428-Y488 AromaticContact CG-CG 3.66Å; Y428-Y488 HydrophobicContact CG-CG 3.66Å
429	P	84.5	Confident	83.2	Confident	29 Å²	29	60.5 Å²	60.5	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-34.7	177.7	-25.9	36.5	0	0	0	114.2	L427 G433 L559	L427-P429 VanDerWaalsContact C-CD 3.47Å; L427-P429 VanDerWaalsContact C-N 3.33Å; P429-G433 PolarHBondContact O-N 2.9Å; P429-L559 HydrophobicContact CB-CB 3.42Å; P429-L559 VanDerWaalsContact CB-CB 3.42Å; P429-L559 HydrophobicContact CB-CD1 4.24Å; P429-L559 HydrophobicContact CB-CD2 3.7Å; P429-L559 HydrophobicContact CB-CG 3.97Å; P429-L559 HydrophobicContact CG-CB 3.78Å
430	I	87.8	Confident	84	Confident	68 Å²	68	63.2 Å²	63.2	35%	0.349	30%	0.299	S	S	.	.	H	α-helix	trans	-68.2	-42.1	175.1	-59.9	174.7	0	0	0	109.3	L427 Y428 G433 I434 V542	L427-I430 HydrophobicContact CD2-CD1 4.14Å; L427-I430 WeakPolarHBondContact O-CB 3.3Å; L427-I430 PolarHBondContact O-N 3.43Å; Y428-I430 VanDerWaalsContact C-N 3.28Å; Y428-I430 PolarHBondContact O-N 3.46Å; I430-G433 PolarHBondContact O-N 3.04Å; I430-I434 HydrophobicContact CG2-CD1 4.02Å; I430-I434 VanDerWaalsContact O-CG1 3.27Å; I430-I434 WeakPolarHBondContact O-CG1 3.22Å; I430-I434 PolarHBondContact O-N 3.43Å; I430-V542 HydrophobicContact CB-CG1 4.38Å; I430-V542 HydrophobicContact CG2-CG1 4.19Å; I430-V542 HydrophobicContact CG2-CG2 4.31Å
431	M	91.8	Very high	85.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-48.2	176.4	-64.3	176.5	59.1	0	0	111.8	L427 Y428 G433 I434 D435 Y539 V542 Q546	L427-M431 WeakPolarHBondContact O-CG 3.19Å; L427-M431 PolarHBondContact O-N 3.42Å; Y428-M431 WeakPolarHBondContact O-CB 3.29Å; Y428-M431 PolarHBondContact O-N 3.1Å; Y428-M431 VanDerWaalsContact O-N 3.08Å; M431-G433 PolarHBondContact O-N 2.92Å; M431-I434 PolarHBondContact O-N 3.47Å; M431-D435 PolarHBondContact O-N 3.34Å; M431-Y539 HydrophobicContact CB-CD2 4.02Å; M431-Y539 HydrophobicContact CB-CE2 3.78Å; M431-Y539 HydrophobicContact CE-CD2 4.46Å; M431-Y539 HydrophobicContact CE-CE1 4.48Å; M431-Y539 HydrophobicContact CE-CE2 3.68Å; M431-Y539 HydrophobicContact CG-CE2 4.43Å; M431-Y539 WeakPolarHBondContact O-CD2 3.4Å; M431-V542 HydrophobicContact CG-CB 4.16Å; M431-V542 HydrophobicContact CG-CG1 3.57Å; M431-V542 HydrophobicContact SD-CG1 4.46Å; M431-Q546 HydrophobicContact SD-CB 4.08Å; M431-Q546 HydrophobicContact SD-CG 4.4Å
432	F	91.2	Very high	86	Confident	66 Å²	66	47.1 Å²	47.1	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-44.2	176	177.4	-103.3	0	0	0	112	Y428 I434 D435 V436 I481	Y428-F432 HydrophobicContact CE1-CB 4.26Å; Y428-F432 PolarHBondContact O-N 2.92Å; F432-I434 VanDerWaalsContact C-N 3.31Å; F432-I434 PolarHBondContact O-N 3.36Å; F432-D435 PolarHBondContact O-N 3.43Å; F432-D435 VanDerWaalsContact O-N 3.13Å; F432-V436 HydrophobicContact CD1-CG2 4.15Å; F432-V436 HydrophobicContact CE1-CG2 3.68Å; F432-V436 HydrophobicContact CE2-CG2 4.11Å; F432-V436 HydrophobicContact CZ-CG2 3.66Å; F432-V436 WeakPolarHBondContact O-CG2 3.44Å; F432-V436 PolarHBondContact O-N 2.74Å; F432-I481 HydrophobicContact CD2-CG2 4.05Å; F432-I481 HydrophobicContact CE2-CG2 3.92Å
433	G	90.1	Very high	86.7	Confident	31 Å²	31	44 Å²	44	32%	0.32	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-40.1	176.6	0	0	0	0	0	113.1	P429 I430 M431 V436 I437	P429-G433 PolarHBondContact O-N 2.9Å; I430-G433 PolarHBondContact O-N 3.04Å; M431-G433 PolarHBondContact O-N 2.92Å; G433-V436 PolarHBondContact O-N 3.49Å; G433-I437 WeakPolarHBondContact O-CG1 3.31Å; G433-I437 PolarHBondContact O-N 3.42Å
434	I	94.3	Very high	87.5	Confident	23 Å²	23	46.7 Å²	46.7	12%	0.118	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-39.9	175.3	-65.2	167.2	0	0	0	111.1	I430 M431 F432 I437 C438 I535 V542	I430-I434 HydrophobicContact CG2-CD1 4.02Å; I430-I434 VanDerWaalsContact O-CG1 3.27Å; I430-I434 WeakPolarHBondContact O-CG1 3.22Å; I430-I434 PolarHBondContact O-N 3.43Å; M431-I434 PolarHBondContact O-N 3.47Å; F432-I434 VanDerWaalsContact C-N 3.31Å; F432-I434 PolarHBondContact O-N 3.36Å; I434-I437 PolarHBondContact O-N 2.66Å; I434-C438 PolarHBondContact O-N 2.98Å; I434-C438 PolarHBondContact O-SG 3.4Å; I434-I535 HydrophobicContact CG2-CG2 3.54Å; I434-I535 VanDerWaalsContact CG2-O 3.29Å; I434-I535 WeakPolarHBondContact CG2-O 3.44Å; I434-V542 HydrophobicContact CD1-CG2 4Å
435	D	93.6	Very high	87.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-36.7	176.9	-84.7	-4.6	0	0	0	112.7	M431 F432 C438 F439 I481 K536 Y539	M431-D435 PolarHBondContact O-N 3.34Å; F432-D435 PolarHBondContact O-N 3.43Å; F432-D435 VanDerWaalsContact O-N 3.13Å; D435-C438 WeakPolarHBondContact O-CB 3.12Å; D435-C438 PolarHBondContact O-N 2.94Å; D435-F439 PolarHBondContact O-N 3.47Å; D435-I481 HydrophobicContact CB-CD1 4.1Å; D435-I481 HydrophobicContact CB-CG1 3.95Å; D435-K536 VanDerWaalsContact CG-NZ 3.26Å; D435-K536 IonicContact OD1-NZ 3.36Å; D435-K536 PolarHBondContact OD1-NZ 3.07Å; D435-K536 IonicContact OD2-NZ 2.8Å; D435-K536 PolarHBondContact OD2-NZ 3.34Å; D435-Y539 VanDerWaalsContact OD1-CD2 3.32Å; D435-Y539 WeakPolarHBondContact OD1-CD2 3.22Å; D435-Y539 WeakPolarHBondContact OD2-CE2 3.33Å
436	V	91.2	Very high	88.3	Confident	52 Å²	52	40.2 Å²	40.2	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-41.9	171.2	173	0	0	0	0	111.1	F432 G433 C438 F439 L440	F432-V436 HydrophobicContact CD1-CG2 4.15Å; F432-V436 HydrophobicContact CE1-CG2 3.68Å; F432-V436 HydrophobicContact CE2-CG2 4.11Å; F432-V436 HydrophobicContact CZ-CG2 3.66Å; F432-V436 WeakPolarHBondContact O-CG2 3.44Å; F432-V436 PolarHBondContact O-N 2.74Å; G433-V436 PolarHBondContact O-N 3.49Å; V436-C438 VanDerWaalsContact C-N 3.32Å; V436-C438 PolarHBondContact O-N 2.93Å; V436-F439 WeakPolarHBondContact O-CB 3.37Å; V436-F439 PolarHBondContact O-N 2.84Å; V436-L440 HydrophobicContact CG1-CD1 4.44Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 3.49Å
437	I	93.5	Very high	88.2	Confident	85 Å²	85	39.8 Å²	39.8	44%	0.436	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-41.5	174.5	-67	165.4	0	0	0	110.6	G433 I434 F439 L440 I441 I535	G433-I437 WeakPolarHBondContact O-CG1 3.31Å; G433-I437 PolarHBondContact O-N 3.42Å; I434-I437 PolarHBondContact O-N 2.66Å; I437-F439 VanDerWaalsContact C-N 3.32Å; I437-F439 PolarHBondContact O-N 2.69Å; I437-L440 PolarHBondContact O-N 3.22Å; I437-I441 HydrophobicContact CG2-CD1 3.9Å; I437-I441 WeakPolarHBondContact O-CG1 3.39Å; I437-I441 PolarHBondContact O-N 3.16Å; I437-I535 HydrophobicContact CG2-CD1 4.08Å; I437-I535 HydrophobicContact CG2-CG2 4.18Å
438	C	92.8	Very high	88	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-42.7	174.4	-66.1	0	0	0	0	111.7	I434 D435 V436 L440 I441 M442 M477 I535	I434-C438 PolarHBondContact O-N 2.98Å; I434-C438 PolarHBondContact O-SG 3.4Å; D435-C438 WeakPolarHBondContact O-CB 3.12Å; D435-C438 PolarHBondContact O-N 2.94Å; V436-C438 VanDerWaalsContact C-N 3.32Å; V436-C438 PolarHBondContact O-N 2.93Å; C438-L440 PolarHBondContact O-N 3.37Å; C438-I441 PolarHBondContact O-N 3.19Å; C438-M442 WeakPolarHBondContact O-CG 3.34Å; C438-M442 PolarHBondContact O-N 2.86Å; C438-M477 HydrophobicContact CB-CE 3.51Å; C438-M477 HydrophobicContact CB-SD 3.82Å; C438-I535 WeakPolarHBondContact SG-CG2 3.4Å
439	F	91.4	Very high	87.6	Confident	62 Å²	62	39.4 Å²	39.4	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-43.5	177	-173	-86.3	0	0	0	112	D435 V436 I437 M442 T443 L474 M477	D435-F439 PolarHBondContact O-N 3.47Å; V436-F439 WeakPolarHBondContact O-CB 3.37Å; V436-F439 PolarHBondContact O-N 2.84Å; I437-F439 VanDerWaalsContact C-N 3.32Å; I437-F439 PolarHBondContact O-N 2.69Å; F439-M442 PolarHBondContact O-N 2.86Å; F439-T443 PolarHBondContact O-N 3.44Å; F439-T443 PolarHBondContact O-OG1 3.19Å; F439-L474 HydrophobicContact CE2-CD1 4.08Å; F439-L474 HydrophobicContact CE2-CD2 3.88Å; F439-L474 HydrophobicContact CE2-CG 3.64Å; F439-L474 HydrophobicContact CZ-CD1 3.97Å; F439-L474 HydrophobicContact CZ-CD2 4.16Å; F439-L474 HydrophobicContact CZ-CG 4.02Å; F439-M477 HydrophobicContact CB-SD 3.97Å; F439-M477 HydrophobicContact CD2-SD 4.44Å; F439-M477 PolarHBondContact N-SD 3.43Å
440	L	90.6	Very high	87.1	Confident	81 Å²	81	38.4 Å²	38.4	42%	0.424	21%	0.207	S	C	.	.	H	α-helix	trans	-65.1	-41.6	176.7	-70.1	175.9	0	0	0	112.3	V436 I437 C438 M442 T443 F444	V436-L440 HydrophobicContact CG1-CD1 4.44Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 3.49Å; I437-L440 PolarHBondContact O-N 3.22Å; C438-L440 PolarHBondContact O-N 3.37Å; L440-M442 VanDerWaalsContact C-N 3.34Å; L440-M442 PolarHBondContact O-N 2.96Å; L440-T443 PolarHBondContact O-N 3.39Å; L440-F444 HydrophobicContact CB-CD2 4.39Å; L440-F444 HydrophobicContact CB-CE2 4.33Å; L440-F444 HydrophobicContact CD2-CE2 4.19Å; L440-F444 WeakPolarHBondContact O-CD2 3.39Å; L440-F444 PolarHBondContact O-N 2.88Å
441	I	90.6	Very high	86.2	Confident	40 Å²	40	41.1 Å²	41.1	21%	0.205	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-41.3	177.3	-71.4	168.9	0	0	0	111.4	I437 C438 G445 V528 I535	I437-I441 HydrophobicContact CG2-CD1 3.9Å; I437-I441 WeakPolarHBondContact O-CG1 3.39Å; I437-I441 PolarHBondContact O-N 3.16Å; C438-I441 PolarHBondContact O-N 3.19Å; I441-G445 WeakPolarHBondContact O-CA 3.47Å; I441-G445 PolarHBondContact O-N 3.25Å; I441-V528 HydrophobicContact CG2-CG1 3.96Å; I441-I535 HydrophobicContact CD1-CD1 3.15Å
442	M	86.6	Confident	84.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-42	174.9	-68.9	-170.8	-44.8	0	0	112.1	C438 F439 L440 G445 Y446 F449 M473 M477 L532	C438-M442 WeakPolarHBondContact O-CG 3.34Å; C438-M442 PolarHBondContact O-N 2.86Å; F439-M442 PolarHBondContact O-N 2.86Å; L440-M442 VanDerWaalsContact C-N 3.34Å; L440-M442 PolarHBondContact O-N 2.96Å; M442-G445 CarbonylContact O-C 3.59Å; M442-Y446 PolarHBondContact O-N 3.15Å; M442-F449 HydrophobicContact CB-CE2 4.42Å; M442-F449 HydrophobicContact CG-CE2 4.36Å; M442-F449 HydrophobicContact CG-CZ 4.24Å; M442-M473 HydrophobicContact SD-CB 4Å; M442-M473 HydrophobicContact SD-CE 3.83Å; M442-M477 HydrophobicContact CE-CB 3.78Å; M442-M477 HydrophobicContact CE-CE 3.44Å; M442-M477 VanDerWaalsContact CE-CE 3.44Å; M442-M477 HydrophobicContact CE-CG 4.13Å; M442-M477 HydrophobicContact CE-SD 3.27Å; M442-M477 WeakPolarHBondContact CE-SD 3.41Å; M442-M477 HydrophobicContact SD-CE 3.59Å; M442-M477 VanDerWaalsContact SD-CE 3.59Å; M442-M477 HydrophobicContact SD-SD 4.25Å; M442-L532 HydrophobicContact CG-CD1 3.38Å; M442-L532 HydrophobicContact SD-CD1 3.73Å
443	T	84.2	Confident	83.4	Confident	57 Å²	57	42.4 Å²	42.4	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-67.2	-46.7	-177.5	-55	0	0	0	0	111.7	F439 L440	F439-T443 PolarHBondContact O-N 3.44Å; F439-T443 PolarHBondContact O-OG1 3.19Å; L440-T443 PolarHBondContact O-N 3.39Å
444	F	84.3	Confident	82	Confident	162 Å²	162	44.6 Å²	44.6	71%	0.711	26%	0.261	S	S	*	.	H	α-helix	trans	-75.1	-31.3	177.1	-66.9	-56	0	0	0	112.7	L440 Y446	L440-F444 HydrophobicContact CB-CD2 4.39Å; L440-F444 HydrophobicContact CB-CE2 4.33Å; L440-F444 HydrophobicContact CD2-CE2 4.19Å; L440-F444 WeakPolarHBondContact O-CD2 3.39Å; L440-F444 PolarHBondContact O-N 2.88Å; F444-Y446 VanDerWaalsContact C-N 3.29Å; F444-Y446 PolarHBondContact O-N 3.07Å
445	G	80.8	Confident	80.6	Confident	10 Å²	10	45.6 Å²	45.6	10%	0.103	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	21.4	-179.9	0	0	0	0	0	114.7	I441 M442 S447 A448 F449	I441-G445 WeakPolarHBondContact O-CA 3.47Å; I441-G445 PolarHBondContact O-N 3.25Å; M442-G445 CarbonylContact O-C 3.59Å; G445-S447 PolarHBondContact O-N 2.89Å; G445-S447 VanDerWaalsContact O-N 3.13Å; G445-A448 VanDerWaalsContact O-CB 3.28Å; G445-A448 WeakPolarHBondContact O-CB 3.16Å; G445-A448 PolarHBondContact O-N 3.49Å; G445-F449 WeakPolarHBondContact O-CD2 3.23Å
446	Y	80	Confident	79.3	Confident	13 Å²	13	49.2 Å²	49.2	5%	0.051	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-55.4	-34.6	-170.5	81.6	-75.6	0	0	0	114.1	M442 F444 A448 F449 G455 N456 V457 D460	M442-Y446 PolarHBondContact O-N 3.15Å; F444-Y446 VanDerWaalsContact C-N 3.29Å; F444-Y446 PolarHBondContact O-N 3.07Å; Y446-A448 PolarHBondContact O-N 3.43Å; Y446-F449 PolarHBondContact O-N 3.11Å; Y446-G455 WeakPolarHBondContact OH-CA 3.41Å; Y446-G455 PolarHBondContact OH-O 3.26Å; Y446-N456 VanDerWaalsContact OH-CA 3.26Å; Y446-N456 WeakPolarHBondContact OH-CA 3.46Å; Y446-N456 PolarHBondContact OH-N 3.4Å; Y446-N456 PolarHBondContact OH-O 3.38Å; Y446-V457 HydrophobicContact CD1-CG2 3.36Å; Y446-V457 HydrophobicContact CE1-CB 4.09Å; Y446-V457 HydrophobicContact CE1-CG2 3.13Å; Y446-V457 HydrophobicContact CE2-CG2 4.37Å; Y446-V457 HydrophobicContact CG-CG2 4.1Å; Y446-V457 WeakPolarHBondContact OH-CA 3.48Å; Y446-V457 PolarHBondContact OH-N 3.42Å; Y446-D460 HydrophobicContact CE2-CB 4.18Å; Y446-D460 WeakPolarHBondContact CE2-OD2 3.37Å; Y446-D460 PolarHBondContact OH-OD2 3.38Å
447	S	78.6	Confident	78.1	Confident	39 Å²	39	50.2 Å²	50.2	27%	0.273	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.5	-16.2	179.2	65.4	0	0	0	0	113.6	G445	G445-S447 PolarHBondContact O-N 2.89Å; G445-S447 VanDerWaalsContact O-N 3.13Å
448	A	81.3	Confident	76.8	Confident	6 Å²	6	51 Å²	51	5%	0.05	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-83.5	-13.8	178.9	0	0	0	0	0	113.4	G445 Y446 N526 V528	G445-A448 VanDerWaalsContact O-CB 3.28Å; G445-A448 WeakPolarHBondContact O-CB 3.16Å; G445-A448 PolarHBondContact O-N 3.49Å; Y446-A448 PolarHBondContact O-N 3.43Å; A448-N526 WeakPolarHBondContact CB-OD1 3.38Å; A448-N526 PolarHBondContact O-ND2 3.26Å; A448-V528 HydrophobicContact CB-CB 3.64Å; A448-V528 HydrophobicContact CB-CG1 4.18Å; A448-V528 HydrophobicContact CB-CG2 3.67Å
449	F	80.4	Confident	75.6	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	33%	0.326	C	S	.	.	S	Bend	trans	-99.5	-10.6	-178	-61.8	-76.4	0	0	0	113.2	M442 G445 Y446 T469 L470 M473 L515 T519 V528 L532	M442-F449 HydrophobicContact CB-CE2 4.42Å; M442-F449 HydrophobicContact CG-CE2 4.36Å; M442-F449 HydrophobicContact CG-CZ 4.24Å; G445-F449 WeakPolarHBondContact O-CD2 3.23Å; Y446-F449 PolarHBondContact O-N 3.11Å; F449-T469 WeakPolarHBondContact O-CB 3.27Å; F449-T469 PolarHBondContact O-OG1 3.44Å; F449-L470 HydrophobicContact CB-CB 4.42Å; F449-L470 HydrophobicContact CD2-CD1 4.01Å; F449-M473 HydrophobicContact CD1-CE 4.14Å; F449-M473 HydrophobicContact CD1-SD 3.46Å; F449-M473 WeakPolarHBondContact CD1-SD 3.31Å; F449-M473 HydrophobicContact CE1-CE 3.63Å; F449-M473 HydrophobicContact CE1-SD 3.62Å; F449-M473 HydrophobicContact CG-SD 4.3Å; F449-M473 HydrophobicContact CZ-CE 4.24Å; F449-L515 HydrophobicContact CD1-CD1 3.73Å; F449-L515 HydrophobicContact CD1-CD2 4.21Å; F449-L515 HydrophobicContact CE1-CD1 4.45Å; F449-L515 HydrophobicContact CE1-CD2 4.19Å; F449-T519 VanDerWaalsContact O-CG2 3.22Å; F449-T519 WeakPolarHBondContact O-CG2 3.45Å; F449-V528 HydrophobicContact CE2-CG1 3.72Å; F449-V528 HydrophobicContact CZ-CG1 3.84Å; F449-L532 HydrophobicContact CE1-CD1 4.42Å; F449-L532 HydrophobicContact CZ-CD1 3.99Å
450	G	74	Confident	74.5	Confident	7 Å²	7	52 Å²	52	7%	0.072	32%	0.316	C	S	.	.	S	Bend	trans	-122	165.9	-179.5	0	0	0	0	0	114.3
451	E	68.9	Low	73.5	Confident	125 Å²	125	51.7 Å²	51.7	58%	0.584	32%	0.317	S	S	*	.	S	Bend	trans	-90.1	138.6	168.9	-65.5	-173.4	163.9	0	0	110.4	G453 R520	E451-G453 PolarHBondContact O-N 2.88Å; E451-R520 WeakPolarHBondContact OE1-CG 3.37Å
452	G	63.2	Low	72.4	Confident	65 Å²	65	55.4 Å²	55.4	67%	0.67	33%	0.332	S	S	*	.	S	Bend	trans	76	10.6	168.9	0	0	0	0	0	117.1
453	G	60.7	Low	71.6	Confident	30 Å²	30	57.9 Å²	57.9	31%	0.309	35%	0.352	S	S	.	.			trans	-69.6	134.7	174.5	0	0	0	0	0	112.3	E451 G455 D460	E451-G453 PolarHBondContact O-N 2.88Å; G453-G455 PolarHBondContact O-N 3.27Å; G453-D460 WeakPolarHBondContact CA-OD2 3.47Å
454	S	61.7	Low	71.1	Confident	76 Å²	76	60.3 Å²	60.3	53%	0.531	37%	0.372	S	S	.	.			trans	-68.6	-13.3	-178.4	61.5	0	0	0	0	113.3	N456 D460	S454-N456 VanDerWaalsContact C-N 3.27Å; S454-N456 PolarHBondContact OG-N 2.95Å; S454-D460 WeakPolarHBondContact CB-OD1 3.38Å; S454-D460 PolarHBondContact N-OD1 3.27Å; S454-D460 PolarHBondContact N-OD2 2.9Å; S454-D460 PolarHBondContact OG-OD1 2.86Å
455	G	63.8	Low	70.4	Confident	45 Å²	45	60.6 Å²	60.6	46%	0.464	37%	0.368	S	S	.	.	S	Bend	trans	89.9	-15.9	-171.4	0	0	0	0	0	112.7	Y446 G453	Y446-G455 WeakPolarHBondContact OH-CA 3.41Å; Y446-G455 PolarHBondContact OH-O 3.26Å; G453-G455 PolarHBondContact O-N 3.27Å
456	N	66.7	Low	70	Confident	77 Å²	77	64.3 Å²	64.3	41%	0.412	39%	0.385	S	S	.	.			trans	-100.6	112.9	173.2	-167.7	6.3	0	0	0	113.7	Y446 S454 L458 D459 D460	Y446-N456 VanDerWaalsContact OH-CA 3.26Å; Y446-N456 WeakPolarHBondContact OH-CA 3.46Å; Y446-N456 PolarHBondContact OH-N 3.4Å; Y446-N456 PolarHBondContact OH-O 3.38Å; S454-N456 VanDerWaalsContact C-N 3.27Å; S454-N456 PolarHBondContact OG-N 2.95Å; N456-L458 PolarHBondContact O-N 3.16Å; N456-L458 VanDerWaalsContact O-N 3.08Å; N456-D459 HydrophobicContact CB-CB 4.37Å; N456-D459 PolarHBondContact ND2-OD2 2.93Å; N456-D459 PolarHBondContact O-N 3.39Å; N456-D460 PolarHBondContact O-N 3.17Å
457	V	65.5	Low	69.9	Low	73 Å²	73	64.6 Å²	64.6	44%	0.442	39%	0.388	S	S	.	.	H	α-helix	trans	-53.2	-38.9	-175.7	179	0	0	0	0	110.4	Y446 D459 V461	Y446-V457 HydrophobicContact CD1-CG2 3.36Å; Y446-V457 HydrophobicContact CE1-CB 4.09Å; Y446-V457 HydrophobicContact CE1-CG2 3.13Å; Y446-V457 HydrophobicContact CE2-CG2 4.37Å; Y446-V457 HydrophobicContact CG-CG2 4.1Å; Y446-V457 WeakPolarHBondContact OH-CA 3.48Å; Y446-V457 PolarHBondContact OH-N 3.42Å; V457-D459 PolarHBondContact O-N 3.48Å; V457-V461 HydrophobicContact CG1-CG2 3.98Å; V457-V461 VanDerWaalsContact O-CB 3.28Å; V457-V461 WeakPolarHBondContact O-CB 3.43Å; V457-V461 WeakPolarHBondContact O-CG2 3.13Å; V457-V461 PolarHBondContact O-N 3.19Å
458	L	67.2	Low	70.1	Confident	102 Å²	102	67.9 Å²	67.9	53%	0.534	41%	0.406	S	S	.	.	H	α-helix	trans	-66.5	-38.4	-174.8	-169.3	67.4	0	0	0	112.2	N456 K462	N456-L458 PolarHBondContact O-N 3.16Å; N456-L458 VanDerWaalsContact O-N 3.08Å; L458-K462 HydrophobicContact CG-CD 4.38Å; L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.48Å; L458-K462 WeakPolarHBondContact O-CD 3.31Å; L458-K462 WeakPolarHBondContact O-CG 3.32Å; L458-K462 PolarHBondContact O-N 3.39Å
459	D	68.2	Low	70.2	Confident	71 Å²	71	68.1 Å²	68.1	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-78.2	-37.9	-177.4	-62	-31.8	0	0	0	110.7	N456 V457 K462 A463	N456-D459 HydrophobicContact CB-CB 4.37Å; N456-D459 PolarHBondContact ND2-OD2 2.93Å; N456-D459 PolarHBondContact O-N 3.39Å; V457-D459 PolarHBondContact O-N 3.48Å; D459-K462 PolarHBondContact O-N 3.5Å; D459-K462 IonicContact OD1-NZ 3.39Å; D459-A463 VanDerWaalsContact O-CB 3.31Å; D459-A463 WeakPolarHBondContact O-CB 3.23Å; D459-A463 PolarHBondContact O-N 2.91Å
460	D	68.2	Low	70.5	Confident	11 Å²	11	69 Å²	69	6%	0.059	41%	0.412	C	S	.	.	H	α-helix	trans	-69.3	-37.5	176.6	-67.6	-1.6	0	0	0	111.3	Y446 G453 S454 N456 A463 S464 R465	Y446-D460 HydrophobicContact CE2-CB 4.18Å; Y446-D460 WeakPolarHBondContact CE2-OD2 3.37Å; Y446-D460 PolarHBondContact OH-OD2 3.38Å; G453-D460 WeakPolarHBondContact CA-OD2 3.47Å; S454-D460 WeakPolarHBondContact CB-OD1 3.38Å; S454-D460 PolarHBondContact N-OD1 3.27Å; S454-D460 PolarHBondContact N-OD2 2.9Å; S454-D460 PolarHBondContact OG-OD1 2.86Å; N456-D460 PolarHBondContact O-N 3.17Å; D460-A463 CarbonylContact O-C 3.6Å; D460-A463 PolarHBondContact O-N 3.49Å; D460-S464 PolarHBondContact O-N 3.11Å; D460-S464 VanDerWaalsContact O-N 3.15Å; D460-R465 PolarHBondContact O-N 2.88Å
461	V	69	Low	71	Confident	75 Å²	75	72.2 Å²	72.2	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-68.4	-41.9	172.8	171.2	0	0	0	0	111.1	V457 A463 S464 I466	V457-V461 HydrophobicContact CG1-CG2 3.98Å; V457-V461 VanDerWaalsContact O-CB 3.28Å; V457-V461 WeakPolarHBondContact O-CB 3.43Å; V457-V461 WeakPolarHBondContact O-CG2 3.13Å; V457-V461 PolarHBondContact O-N 3.19Å; V461-A463 VanDerWaalsContact C-N 3.27Å; V461-A463 PolarHBondContact O-N 3.4Å; V461-S464 PolarHBondContact O-N 2.94Å; V461-I466 HydrophobicContact CG2-CD1 4.33Å; V461-I466 HydrophobicContact CG2-CG1 4.27Å
462	K	66.1	Low	71.9	Confident	117 Å²	117	69.8 Å²	69.8	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-60	-39.1	173.6	-79.7	169.7	-178	170.8	0	111.7	L458 D459 S464	L458-K462 HydrophobicContact CG-CD 4.38Å; L458-K462 VanDerWaalsContact O-CB 3.32Å; L458-K462 WeakPolarHBondContact O-CB 3.48Å; L458-K462 WeakPolarHBondContact O-CD 3.31Å; L458-K462 WeakPolarHBondContact O-CG 3.32Å; L458-K462 PolarHBondContact O-N 3.39Å; D459-K462 PolarHBondContact O-N 3.5Å; D459-K462 IonicContact OD1-NZ 3.39Å; K462-S464 PolarHBondContact O-N 3.5Å
463	A	71.6	Confident	73.1	Confident	53 Å²	53	67.9 Å²	67.9	44%	0.438	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0.4	175.6	0	0	0	0	0	113.4	D459 D460 V461 R465	D459-A463 VanDerWaalsContact O-CB 3.31Å; D459-A463 WeakPolarHBondContact O-CB 3.23Å; D459-A463 PolarHBondContact O-N 2.91Å; D460-A463 CarbonylContact O-C 3.6Å; D460-A463 PolarHBondContact O-N 3.49Å; V461-A463 VanDerWaalsContact C-N 3.27Å; V461-A463 PolarHBondContact O-N 3.4Å; A463-R465 HydrophobicContact CB-CB 4.41Å; A463-R465 HydrophobicContact CB-CG 3.85Å; A463-R465 WeakPolarHBondContact O-CG 3.29Å; A463-R465 PolarHBondContact O-N 3.22Å
464	S	72.5	Confident	74.4	Confident	108 Å²	108	69.1 Å²	69.1	76%	0.755	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	30.6	-174	-57.2	0	0	0	0	113.7	D460 V461 K462	D460-S464 PolarHBondContact O-N 3.11Å; D460-S464 VanDerWaalsContact O-N 3.15Å; V461-S464 PolarHBondContact O-N 2.94Å; K462-S464 PolarHBondContact O-N 3.5Å
465	R	70.4	Confident	75.8	Confident	169 Å²	169	69 Å²	69	64%	0.638	39%	0.393	S	S	*	.			trans	-100.2	41.8	-176.3	-66.8	-175.5	-178.9	-175.2	0.1	112.8	D460 A463 P467	D460-R465 PolarHBondContact O-N 2.88Å; A463-R465 HydrophobicContact CB-CB 4.41Å; A463-R465 HydrophobicContact CB-CG 3.85Å; A463-R465 WeakPolarHBondContact O-CG 3.29Å; A463-R465 PolarHBondContact O-N 3.22Å; R465-P467 WeakPolarHBondContact O-CD 3.46Å
466	I	72.4	Confident	77.1	Confident	88 Å²	88	68.7 Å²	68.7	45%	0.451	39%	0.389	S	S	.	.			trans	-69	123	177.5	-57.5	175.3	0	0	0	108.8	V461 V468 L470 V471	V461-I466 HydrophobicContact CG2-CD1 4.33Å; V461-I466 HydrophobicContact CG2-CG1 4.27Å; I466-V468 PolarHBondContact O-N 3.13Å; I466-L470 HydrophobicContact CG2-CD2 4.33Å; I466-V471 HydrophobicContact CG2-CG2 3.7Å
467	P	77.2	Confident	78.3	Confident	18 Å²	18	65.9 Å²	65.9	12%	0.117	37%	0.374	C	S	.	.			trans	-61.2	128.3	179.7	-23.9	34.7	0	0	0	111.7	R465 T469 L470 V471	R465-P467 WeakPolarHBondContact O-CD 3.46Å; P467-T469 WeakPolarHBondContact CB-OG1 3.47Å; P467-T469 PolarHBondContact O-N 2.99Å; P467-L470 HydrophobicContact CB-CB 4.21Å; P467-L470 WeakPolarHBondContact O-CB 3.33Å; P467-L470 PolarHBondContact O-N 3.22Å; P467-V471 PolarHBondContact O-N 3.48Å
468	V	83	Confident	79.6	Confident	108 Å²	108	64.8 Å²	64.8	66%	0.655	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-37.9	179.1	179.1	0	0	0	0	111.4	I466 L470 V471 V472	I466-V468 PolarHBondContact O-N 3.13Å; V468-L470 VanDerWaalsContact C-N 3.32Å; V468-L470 PolarHBondContact O-N 3.28Å; V468-V471 PolarHBondContact O-N 2.93Å; V468-V472 HydrophobicContact CG1-CG2 4.28Å; V468-V472 WeakPolarHBondContact O-CG2 3.4Å; V468-V472 PolarHBondContact O-N 3.37Å
469	T	84.2	Confident	80.8	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.067	37%	0.366	C	S	.	.	H	α-helix	trans	-52.4	-46.1	173.1	43.5	0	0	0	0	112.7	F449 P467 M473 M518	F449-T469 WeakPolarHBondContact O-CB 3.27Å; F449-T469 PolarHBondContact O-OG1 3.44Å; P467-T469 WeakPolarHBondContact CB-OG1 3.47Å; P467-T469 PolarHBondContact O-N 2.99Å; T469-M473 WeakPolarHBondContact O-CB 3.42Å; T469-M473 VanDerWaalsContact O-CG 3.25Å; T469-M473 WeakPolarHBondContact O-CG 3.4Å; T469-M473 PolarHBondContact O-N 3.22Å; T469-M518 HydrophobicContact CG2-CB 4Å; T469-M518 HydrophobicContact CG2-CE 3.32Å; T469-M518 HydrophobicContact CG2-CG 4.46Å; T469-M518 HydrophobicContact CG2-SD 3.63Å
470	L	84.9	Confident	82	Confident	20 Å²	20	61.3 Å²	61.3	11%	0.105	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-46.1	178.8	179.1	73.2	0	0	0	111	F449 I466 P467 V468 M473 L474	F449-L470 HydrophobicContact CB-CB 4.42Å; F449-L470 HydrophobicContact CD2-CD1 4.01Å; I466-L470 HydrophobicContact CG2-CD2 4.33Å; P467-L470 HydrophobicContact CB-CB 4.21Å; P467-L470 WeakPolarHBondContact O-CB 3.33Å; P467-L470 PolarHBondContact O-N 3.22Å; V468-L470 VanDerWaalsContact C-N 3.32Å; V468-L470 PolarHBondContact O-N 3.28Å; L470-M473 PolarHBondContact O-N 3.43Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 2.95Å
471	V	86.1	Confident	83.2	Confident	75 Å²	75	62.2 Å²	62.2	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-46.4	-179	-179.7	0	0	0	0	110.6	I466 P467 V468 M473 L474 V475	I466-V471 HydrophobicContact CG2-CG2 3.7Å; P467-V471 PolarHBondContact O-N 3.48Å; V468-V471 PolarHBondContact O-N 2.93Å; V471-M473 VanDerWaalsContact C-N 3.32Å; V471-M473 PolarHBondContact O-N 3.49Å; V471-L474 PolarHBondContact O-N 3.17Å; V471-V475 HydrophobicContact CG1-CG2 4.39Å; V471-V475 WeakPolarHBondContact O-CB 3.42Å; V471-V475 WeakPolarHBondContact O-CG2 3.35Å; V471-V475 PolarHBondContact O-N 2.92Å
472	V	87.8	Confident	84.3	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177	173.6	0	0	0	0	111	V468 G476 W510	V468-V472 HydrophobicContact CG1-CG2 4.28Å; V468-V472 WeakPolarHBondContact O-CG2 3.4Å; V468-V472 PolarHBondContact O-N 3.37Å; V472-G476 PolarHBondContact O-N 3.06Å; V472-W510 HydrophobicContact CG1-CH2 3.9Å; V472-W510 HydrophobicContact CG1-CZ2 4.4Å
473	M	86.9	Confident	85.6	Confident	24 Å²	24	59 Å²	59	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-41.5	177.5	-74.6	-175.4	72.3	0	0	112.8	M442 F449 T469 L470 V471 M477 W510 L532	M442-M473 HydrophobicContact SD-CB 4Å; M442-M473 HydrophobicContact SD-CE 3.83Å; F449-M473 HydrophobicContact CD1-CE 4.14Å; F449-M473 HydrophobicContact CD1-SD 3.46Å; F449-M473 WeakPolarHBondContact CD1-SD 3.31Å; F449-M473 HydrophobicContact CE1-CE 3.63Å; F449-M473 HydrophobicContact CE1-SD 3.62Å; F449-M473 HydrophobicContact CG-SD 4.3Å; F449-M473 HydrophobicContact CZ-CE 4.24Å; T469-M473 WeakPolarHBondContact O-CB 3.42Å; T469-M473 VanDerWaalsContact O-CG 3.25Å; T469-M473 WeakPolarHBondContact O-CG 3.4Å; T469-M473 PolarHBondContact O-N 3.22Å; L470-M473 PolarHBondContact O-N 3.43Å; V471-M473 VanDerWaalsContact C-N 3.32Å; V471-M473 PolarHBondContact O-N 3.49Å; M473-M477 VanDerWaalsContact O-CB 3.32Å; M473-M477 WeakPolarHBondContact O-CB 3.33Å; M473-M477 PolarHBondContact O-N 2.95Å; M473-W510 HydrophobicContact CG-CZ2 3.86Å; M473-W510 PolarHBondContact SD-NE1 3.17Å; M473-L532 HydrophobicContact CE-CD1 3.76Å
474	L	89.2	Confident	86.7	Confident	56 Å²	56	56.6 Å²	56.6	29%	0.293	32%	0.318	S	S	.	.	H	α-helix	trans	-67.3	-49	-179.4	-168.8	149.8	0	0	0	110.9	F439 L470 V471 G476 M477 T478	F439-L474 HydrophobicContact CE2-CD1 4.08Å; F439-L474 HydrophobicContact CE2-CD2 3.88Å; F439-L474 HydrophobicContact CE2-CG 3.64Å; F439-L474 HydrophobicContact CZ-CD1 3.97Å; F439-L474 HydrophobicContact CZ-CD2 4.16Å; F439-L474 HydrophobicContact CZ-CG 4.02Å; L470-L474 WeakPolarHBondContact O-CB 3.4Å; L470-L474 PolarHBondContact O-N 2.95Å; V471-L474 PolarHBondContact O-N 3.17Å; L474-G476 PolarHBondContact O-N 3.21Å; L474-M477 PolarHBondContact O-N 3.42Å; L474-T478 PolarHBondContact O-N 2.89Å; L474-T478 PolarHBondContact O-OG1 2.73Å; L474-T478 VanDerWaalsContact O-OG1 3.11Å
475	V	91.6	Very high	87.6	Confident	75 Å²	75	53.3 Å²	53.3	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-45.2	176	173.9	0	0	0	0	110.8	V471 M477 T478 L479	V471-V475 HydrophobicContact CG1-CG2 4.39Å; V471-V475 WeakPolarHBondContact O-CB 3.42Å; V471-V475 WeakPolarHBondContact O-CG2 3.35Å; V471-V475 PolarHBondContact O-N 2.92Å; V475-M477 VanDerWaalsContact C-N 3.31Å; V475-M477 PolarHBondContact O-N 2.99Å; V475-T478 PolarHBondContact O-N 3.41Å; V475-L479 HydrophobicContact CG1-CD1 4.09Å; V475-L479 HydrophobicContact CG1-CG 4.5Å; V475-L479 WeakPolarHBondContact O-CG 3.46Å; V475-L479 PolarHBondContact O-N 3.42Å
476	G	91.2	Very high	88.6	Confident	38 Å²	38	45.8 Å²	45.8	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-40.6	176.9	0	0	0	0	0	112.7	V472 L474 A480	V472-G476 PolarHBondContact O-N 3.06Å; L474-G476 PolarHBondContact O-N 3.21Å; G476-A480 VanDerWaalsContact O-CB 3.3Å; G476-A480 WeakPolarHBondContact O-CB 3.39Å; G476-A480 PolarHBondContact O-N 2.85Å
477	M	91.2	Very high	89.5	Confident	18 Å²	18	43 Å²	43	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-41.5	176.8	-172.4	173.9	-74.8	0	0	112.3	C438 F439 M442 M473 L474 V475 L479 A480 I481	C438-M477 HydrophobicContact CB-CE 3.51Å; C438-M477 HydrophobicContact CB-SD 3.82Å; F439-M477 HydrophobicContact CB-SD 3.97Å; F439-M477 HydrophobicContact CD2-SD 4.44Å; F439-M477 PolarHBondContact N-SD 3.43Å; M442-M477 HydrophobicContact CE-CB 3.78Å; M442-M477 HydrophobicContact CE-CE 3.44Å; M442-M477 VanDerWaalsContact CE-CE 3.44Å; M442-M477 HydrophobicContact CE-CG 4.13Å; M442-M477 HydrophobicContact CE-SD 3.27Å; M442-M477 WeakPolarHBondContact CE-SD 3.41Å; M442-M477 HydrophobicContact SD-CE 3.59Å; M442-M477 VanDerWaalsContact SD-CE 3.59Å; M442-M477 HydrophobicContact SD-SD 4.25Å; M473-M477 VanDerWaalsContact O-CB 3.32Å; M473-M477 WeakPolarHBondContact O-CB 3.33Å; M473-M477 PolarHBondContact O-N 2.95Å; L474-M477 PolarHBondContact O-N 3.42Å; V475-M477 VanDerWaalsContact C-N 3.31Å; V475-M477 PolarHBondContact O-N 2.99Å; M477-L479 VanDerWaalsContact C-N 3.34Å; M477-L479 PolarHBondContact O-N 3.04Å; M477-A480 WeakPolarHBondContact O-CB 3.47Å; M477-A480 PolarHBondContact O-N 3Å; M477-I481 HydrophobicContact CG-CD1 4.19Å; M477-I481 WeakPolarHBondContact O-CG1 3.41Å; M477-I481 PolarHBondContact O-N 3.24Å
478	T	91.9	Very high	90.1	Very high	50 Å²	50	42.4 Å²	42.4	31%	0.307	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-45.3	175.2	-58.9	0	0	0	0	111.1	L474 V475 A480 I481 I482	L474-T478 PolarHBondContact O-N 2.89Å; L474-T478 PolarHBondContact O-OG1 2.73Å; L474-T478 VanDerWaalsContact O-OG1 3.11Å; V475-T478 PolarHBondContact O-N 3.41Å; T478-A480 PolarHBondContact O-N 2.87Å; T478-I481 PolarHBondContact O-N 3.23Å; T478-I482 HydrophobicContact CG2-CD1 4.2Å; T478-I482 WeakPolarHBondContact O-CG1 3.3Å; T478-I482 PolarHBondContact O-N 3.46Å; T478-I482 VanDerWaalsContact O-N 3.1Å
479	L	93	Very high	90.4	Very high	95 Å²	95	38.5 Å²	38.5	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-40.8	175.5	-70	174.1	0	0	0	112.1	V475 M477 I481 I482 I483	V475-L479 HydrophobicContact CG1-CD1 4.09Å; V475-L479 HydrophobicContact CG1-CG 4.5Å; V475-L479 WeakPolarHBondContact O-CG 3.46Å; V475-L479 PolarHBondContact O-N 3.42Å; M477-L479 VanDerWaalsContact C-N 3.34Å; M477-L479 PolarHBondContact O-N 3.04Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 2.92Å; L479-I482 PolarHBondContact O-N 3.3Å; L479-I483 VanDerWaalsContact O-CG1 3.3Å; L479-I483 WeakPolarHBondContact O-CG1 3.48Å; L479-I483 PolarHBondContact O-N 2.88Å
480	A	93	Very high	90.6	Very high	5 Å²	5	45 Å²	45	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-41.1	176.1	0	0	0	0	0	112.2	G476 M477 T478 I483 D484 Y499 M503	G476-A480 VanDerWaalsContact O-CB 3.3Å; G476-A480 WeakPolarHBondContact O-CB 3.39Å; G476-A480 PolarHBondContact O-N 2.85Å; M477-A480 WeakPolarHBondContact O-CB 3.47Å; M477-A480 PolarHBondContact O-N 3Å; T478-A480 PolarHBondContact O-N 2.87Å; A480-I483 PolarHBondContact O-N 3.43Å; A480-D484 WeakPolarHBondContact O-CB 3.34Å; A480-D484 PolarHBondContact O-N 3.36Å; A480-Y499 WeakPolarHBondContact CB-OH 3.37Å; A480-Y499 PolarHBondContact O-OH 3.02Å; A480-Y499 VanDerWaalsContact O-OH 3.06Å; A480-M503 HydrophobicContact CB-CE 3.88Å
481	I	93.1	Very high	90.7	Very high	30 Å²	30	47 Å²	47	15%	0.154	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-42.5	175.8	-67.4	165.4	0	0	0	111.1	F432 D435 M477 T478 L479 D484 R485	F432-I481 HydrophobicContact CD2-CG2 4.05Å; F432-I481 HydrophobicContact CE2-CG2 3.92Å; D435-I481 HydrophobicContact CB-CD1 4.1Å; D435-I481 HydrophobicContact CB-CG1 3.95Å; M477-I481 HydrophobicContact CG-CD1 4.19Å; M477-I481 WeakPolarHBondContact O-CG1 3.41Å; M477-I481 PolarHBondContact O-N 3.24Å; T478-I481 PolarHBondContact O-N 3.23Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 2.92Å; I481-D484 PolarHBondContact O-N 3.04Å; I481-R485 PolarHBondContact O-N 3.35Å
482	I	93.5	Very high	90.8	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.205	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-47.1	178.1	-65.1	167.6	0	0	0	110.7	T478 L479 D484 R485 A486 I588 W592	T478-I482 HydrophobicContact CG2-CD1 4.2Å; T478-I482 WeakPolarHBondContact O-CG1 3.3Å; T478-I482 PolarHBondContact O-N 3.46Å; T478-I482 VanDerWaalsContact O-N 3.1Å; L479-I482 PolarHBondContact O-N 3.3Å; I482-D484 VanDerWaalsContact C-N 3.31Å; I482-D484 PolarHBondContact O-N 3.16Å; I482-R485 PolarHBondContact O-N 3.32Å; I482-A486 WeakPolarHBondContact O-CB 3.31Å; I482-A486 PolarHBondContact O-N 2.68Å; I482-I588 HydrophobicContact CG1-CD1 4.02Å; I482-I588 HydrophobicContact CG2-CD1 4.27Å; I482-W592 HydrophobicContact CG2-CH2 3.93Å; I482-W592 HydrophobicContact CG2-CZ3 4.4Å
483	I	93.6	Very high	90.9	Very high	84 Å²	84	43.3 Å²	43.3	43%	0.431	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-40.7	177.9	-67.6	167.1	0	0	0	110.4	L479 A480 A486 L487 Y499	L479-I483 VanDerWaalsContact O-CG1 3.3Å; L479-I483 WeakPolarHBondContact O-CG1 3.48Å; L479-I483 PolarHBondContact O-N 2.88Å; A480-I483 PolarHBondContact O-N 3.43Å; I483-A486 PolarHBondContact O-N 2.76Å; I483-L487 HydrophobicContact CG2-CD1 4Å; I483-L487 HydrophobicContact CG2-CG 4.4Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 2.85Å; I483-Y499 HydrophobicContact CB-CE2 4.38Å; I483-Y499 HydrophobicContact CG2-CD2 3.86Å; I483-Y499 HydrophobicContact CG2-CE2 3.92Å
484	D	93.2	Very high	91	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.5	-168.9	14.8	0	0	0	112	A480 I481 I482 A486 L487 Y488 K496 Y499 Y539	A480-D484 WeakPolarHBondContact O-CB 3.34Å; A480-D484 PolarHBondContact O-N 3.36Å; I481-D484 PolarHBondContact O-N 3.04Å; I482-D484 VanDerWaalsContact C-N 3.31Å; I482-D484 PolarHBondContact O-N 3.16Å; D484-A486 VanDerWaalsContact C-N 3.32Å; D484-A486 PolarHBondContact O-N 3.08Å; D484-L487 PolarHBondContact O-N 3.22Å; D484-Y488 WeakPolarHBondContact O-CB 3.47Å; D484-Y488 PolarHBondContact O-N 2.96Å; D484-K496 IonicContact OD1-NZ 2.61Å; D484-K496 PolarHBondContact OD1-NZ 3.44Å; D484-K496 IonicContact OD2-NZ 2.7Å; D484-K496 PolarHBondContact OD2-NZ 3.49Å; D484-Y499 HydrophobicContact CB-CE1 4.4Å; D484-Y539 VanDerWaalsContact CG-OH 3.24Å; D484-Y539 PolarHBondContact OD2-OH 2.93Å
485	R	91.6	Very high	91.2	Very high	40 Å²	40	44 Å²	44	15%	0.151	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-42.5	175.8	-172.9	57	175.2	-176.1	-2.2	111.8	Y428 I481 I482 Y488 L489 I588 D589	Y428-R485 VanDerWaalsContact CZ-CD 3.5Å; Y428-R485 WeakPolarHBondContact OH-CA 3.04Å; Y428-R485 VanDerWaalsContact OH-CB 3.24Å; Y428-R485 WeakPolarHBondContact OH-CB 3.36Å; Y428-R485 VanDerWaalsContact OH-CD 3.23Å; Y428-R485 WeakPolarHBondContact OH-CD 3.41Å; I481-R485 PolarHBondContact O-N 3.35Å; I482-R485 PolarHBondContact O-N 3.32Å; R485-Y488 VanDerWaalsContact NH1-CE1 3.29Å; R485-Y488 WeakPolarHBondContact O-CB 3.33Å; R485-Y488 PolarHBondContact O-N 2.9Å; R485-L489 HydrophobicContact CG-CD1 4.17Å; R485-L489 WeakPolarHBondContact O-CG 3.39Å; R485-L489 PolarHBondContact O-N 3.39Å; R485-I588 HydrophobicContact CB-CG2 3.96Å; R485-I588 HydrophobicContact CG-CG2 3.35Å; R485-D589 IonicContact CZ-OD1 2.81Å; R485-D589 VanDerWaalsContact CZ-OD1 3.23Å; R485-D589 IonicContact CZ-OD2 3.44Å; R485-D589 IonicContact NE-OD1 3.54Å; R485-D589 PolarHBondContact NE-OD1 3.44Å; R485-D589 VanDerWaalsContact NH2-CG 3.25Å; R485-D589 IonicContact NH2-OD1 3.5Å; R485-D589 PolarHBondContact NH2-OD1 3.44Å; R485-D589 IonicContact NH2-OD2 3.67Å; R485-D589 PolarHBondContact NH2-OD2 3.28Å
486	A	91.6	Very high	91.2	Very high	11 Å²	11	40.4 Å²	40.4	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-43.4	177	0	0	0	0	0	112.4	I482 I483 D484 L489 R490 W592	I482-A486 WeakPolarHBondContact O-CB 3.31Å; I482-A486 PolarHBondContact O-N 2.68Å; I483-A486 PolarHBondContact O-N 2.76Å; D484-A486 VanDerWaalsContact C-N 3.32Å; D484-A486 PolarHBondContact O-N 3.08Å; A486-L489 PolarHBondContact O-N 3.21Å; A486-R490 WeakPolarHBondContact O-CB 3.37Å; A486-R490 WeakPolarHBondContact O-CG 3.42Å; A486-R490 PolarHBondContact O-N 3.36Å; A486-W592 HydrophobicContact CB-CD2 3.54Å; A486-W592 HydrophobicContact CB-CE3 3.99Å; A486-W592 HydrophobicContact CB-CG 3.98Å; A486-W592 HydrophobicContact CB-CH2 4.2Å; A486-W592 HydrophobicContact CB-CZ2 3.72Å; A486-W592 HydrophobicContact CB-CZ3 4.34Å
487	L	92.3	Very high	91.3	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-38.1	177	-71.9	171.7	0	0	0	112.3	I483 D484 K491 S492 Y499	I483-L487 HydrophobicContact CG2-CD1 4Å; I483-L487 HydrophobicContact CG2-CG 4.4Å; I483-L487 WeakPolarHBondContact O-CG 3.32Å; I483-L487 PolarHBondContact O-N 2.85Å; D484-L487 PolarHBondContact O-N 3.22Å; L487-K491 PolarHBondContact O-N 3.41Å; L487-S492 PolarHBondContact O-N 3.47Å; L487-Y499 HydrophobicContact CD1-CD1 4.27Å; L487-Y499 HydrophobicContact CD1-CD2 4.24Å; L487-Y499 HydrophobicContact CD1-CG 3.78Å
488	Y	90.3	Very high	91.4	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-50.7	173.7	168.6	-96.9	0	0	0	111.7	D426 Y428 D484 R485 R490 K491 Y551 C555	D426-Y488 WeakPolarHBondContact OD1-CE2 3.35Å; D426-Y488 PolarHBondContact OD2-OH 3.42Å; Y428-Y488 VanDerWaalsContact CB-CD2 3.42Å; Y428-Y488 HydrophobicContact CD1-CD1 4.21Å; Y428-Y488 HydrophobicContact CD1-CD2 4.37Å; Y428-Y488 HydrophobicContact CD1-CE1 4.25Å; Y428-Y488 HydrophobicContact CD1-CE2 4.4Å; Y428-Y488 HydrophobicContact CD1-CG 4.26Å; Y428-Y488 HydrophobicContact CD2-CD1 4.18Å; Y428-Y488 AromaticContact CD2-CD2 3.56Å; Y428-Y488 HydrophobicContact CD2-CD2 3.56Å; Y428-Y488 HydrophobicContact CD2-CE2 4.29Å; Y428-Y488 AromaticContact CD2-CG 3.48Å; Y428-Y488 HydrophobicContact CD2-CG 3.48Å; Y428-Y488 VanDerWaalsContact CD2-CG 3.48Å; Y428-Y488 HydrophobicContact CE2-CD1 4.45Å; Y428-Y488 HydrophobicContact CE2-CD2 4.48Å; Y428-Y488 AromaticContact CE2-CG 3.97Å; Y428-Y488 HydrophobicContact CE2-CG 3.97Å; Y428-Y488 HydrophobicContact CG-CD1 4.07Å; Y428-Y488 AromaticContact CG-CD2 3.5Å; Y428-Y488 HydrophobicContact CG-CD2 3.5Å; Y428-Y488 HydrophobicContact CG-CE1 4.29Å; Y428-Y488 AromaticContact CG-CE2 3.76Å; Y428-Y488 HydrophobicContact CG-CE2 3.76Å; Y428-Y488 AromaticContact CG-CG 3.66Å; Y428-Y488 HydrophobicContact CG-CG 3.66Å; D484-Y488 WeakPolarHBondContact O-CB 3.47Å; D484-Y488 PolarHBondContact O-N 2.96Å; R485-Y488 VanDerWaalsContact NH1-CE1 3.29Å; R485-Y488 WeakPolarHBondContact O-CB 3.33Å; R485-Y488 PolarHBondContact O-N 2.9Å; Y488-R490 VanDerWaalsContact C-N 3.35Å; Y488-R490 PolarHBondContact O-N 3.02Å; Y488-K491 WeakPolarHBondContact O-CA 3.41Å; Y488-K491 PolarHBondContact O-N 3.36Å; Y488-Y551 AromaticContact CD2-CD1 3.76Å; Y488-Y551 HydrophobicContact CD2-CD1 3.76Å; Y488-Y551 AromaticContact CD2-CE1 3.67Å; Y488-Y551 HydrophobicContact CD2-CE1 3.67Å; Y488-Y551 HydrophobicContact CE2-CD1 4.23Å; Y488-Y551 HydrophobicContact CE2-CE1 4.5Å; Y488-Y551 HydrophobicContact CG-CE1 4.47Å; Y488-C555 HydrophobicContact CE1-CB 4.13Å; Y488-C555 PolarHBondContact OH-O 3.01Å
489	L	88.3	Confident	91.5	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.131	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-37.4	180	-69	170.8	0	0	0	112.6	R485 A486 K491 I588 W592	R485-L489 HydrophobicContact CG-CD1 4.17Å; R485-L489 WeakPolarHBondContact O-CG 3.39Å; R485-L489 PolarHBondContact O-N 3.39Å; A486-L489 PolarHBondContact O-N 3.21Å; L489-K491 PolarHBondContact O-N 2.95Å; L489-I588 HydrophobicContact CD1-CG2 4.17Å; L489-W592 HydrophobicContact CB-CB 3.99Å; L489-W592 HydrophobicContact CD1-CB 3.9Å
490	R	88.6	Confident	91.6	Very high	147 Å²	147	37.9 Å²	37.9	56%	0.555	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.3	173.6	-73.9	-67.5	-156.1	-170.2	-1	113.7	A486 Y488 S492 D594	A486-R490 WeakPolarHBondContact O-CB 3.37Å; A486-R490 WeakPolarHBondContact O-CG 3.42Å; A486-R490 PolarHBondContact O-N 3.36Å; Y488-R490 VanDerWaalsContact C-N 3.35Å; Y488-R490 PolarHBondContact O-N 3.02Å; R490-S492 PolarHBondContact O-N 2.9Å; R490-D594 IonicContact NH1-OD1 3.95Å
491	K	87.8	Confident	91.5	Very high	64 Å²	64	40.6 Å²	40.6	28%	0.278	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	27.6	-178.4	-57.2	173.8	-171.9	168.7	0	113.5	L487 Y488 L489 V493 Y551 E553 C555 E1002	L487-K491 PolarHBondContact O-N 3.41Å; Y488-K491 WeakPolarHBondContact O-CA 3.41Å; Y488-K491 PolarHBondContact O-N 3.36Å; L489-K491 PolarHBondContact O-N 2.95Å; K491-V493 PolarHBondContact O-N 2.76Å; K491-Y551 HydrophobicContact CB-CD2 4.39Å; K491-Y551 HydrophobicContact CB-CG 4.47Å; K491-E553 PolarHBondContact NZ-O 3.02Å; K491-C555 VanDerWaalsContact CE-SG 3.52Å; K491-E1002 VanDerWaalsContact NZ-CD 3.3Å; K491-E1002 IonicContact NZ-OE1 3.39Å; K491-E1002 PolarHBondContact NZ-OE1 2.81Å; K491-E1002 IonicContact NZ-OE2 2.76Å; K491-E1002 PolarHBondContact NZ-OE2 3.29Å
492	S	88.2	Confident	91.6	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	23%	0.231	S	C	.	.			trans	-87.9	95.7	-173.9	-175.6	0	0	0	0	111.7	L487 R490 V494 G495 K496	L487-S492 PolarHBondContact O-N 3.47Å; R490-S492 PolarHBondContact O-N 2.9Å; S492-V494 VanDerWaalsContact C-N 3.3Å; S492-V494 PolarHBondContact O-N 2.87Å; S492-G495 PolarHBondContact O-N 2.91Å; S492-G495 PolarHBondContact OG-N 2.9Å; S492-K496 WeakPolarHBondContact O-CB 3.3Å; S492-K496 PolarHBondContact O-N 3.23Å
493	V	88.3	Confident	91.6	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-36.8	177.7	-174.5	0	0	0	0	111.6	F417 K491 K496 L497 I547 Y551	F417-V493 HydrophobicContact CD1-CG1 4.2Å; F417-V493 HydrophobicContact CE1-CG1 4.09Å; K491-V493 PolarHBondContact O-N 2.76Å; V493-K496 PolarHBondContact O-N 2.65Å; V493-L497 PolarHBondContact O-N 3.45Å; V493-I547 HydrophobicContact CG1-CG2 3.83Å; V493-Y551 HydrophobicContact CG2-CD2 3.77Å; V493-Y551 HydrophobicContact CG2-CE2 4.04Å
494	V	90.4	Very high	91.6	Very high	76 Å²	76	40.5 Å²	40.5	46%	0.461	21%	0.21	S	C	.	.	H	α-helix	trans	-65.9	-48.5	177.5	-178.4	0	0	0	0	110.8	F417 S492 K496 L497 I498	F417-V494 HydrophobicContact CD1-CG2 4.32Å; F417-V494 HydrophobicContact CE1-CB 4.43Å; F417-V494 HydrophobicContact CE1-CG2 3.75Å; F417-V494 HydrophobicContact CE2-CG2 4.38Å; F417-V494 HydrophobicContact CZ-CB 4.35Å; F417-V494 HydrophobicContact CZ-CG1 4.47Å; F417-V494 HydrophobicContact CZ-CG2 3.78Å; S492-V494 VanDerWaalsContact C-N 3.3Å; S492-V494 PolarHBondContact O-N 2.87Å; V494-K496 PolarHBondContact O-N 3.46Å; V494-L497 PolarHBondContact O-N 3.45Å; V494-I498 HydrophobicContact CG1-CD1 4.24Å; V494-I498 WeakPolarHBondContact O-CG1 3.24Å; V494-I498 PolarHBondContact O-N 3.43Å; V494-I498 VanDerWaalsContact O-N 3.08Å
495	G	92.1	Very high	91.5	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-39.4	176.6	0	0	0	0	0	111.5	S492 I498 Y499	S492-G495 PolarHBondContact O-N 2.91Å; S492-G495 PolarHBondContact OG-N 2.9Å; G495-I498 PolarHBondContact O-N 3.36Å; G495-Y499 VanDerWaalsContact O-CB 3.31Å; G495-Y499 WeakPolarHBondContact O-CB 3.23Å; G495-Y499 PolarHBondContact O-N 3.13Å
496	K	93.1	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-40	175.7	-172.6	67.1	-175.2	173.6	0	113.2	D484 S492 V493 V494 Y499 Q500 Y539 S543 I547 Y551	D484-K496 IonicContact OD1-NZ 2.61Å; D484-K496 PolarHBondContact OD1-NZ 3.44Å; D484-K496 IonicContact OD2-NZ 2.7Å; D484-K496 PolarHBondContact OD2-NZ 3.49Å; S492-K496 WeakPolarHBondContact O-CB 3.3Å; S492-K496 PolarHBondContact O-N 3.23Å; V493-K496 PolarHBondContact O-N 2.65Å; V494-K496 PolarHBondContact O-N 3.46Å; K496-Y499 HydrophobicContact CD-CD1 4.28Å; K496-Y499 PolarHBondContact O-N 3.38Å; K496-Q500 WeakPolarHBondContact O-CB 3.47Å; K496-Q500 PolarHBondContact O-N 3.33Å; K496-Y539 PolarHBondContact NZ-OH 3.37Å; K496-S543 WeakPolarHBondContact CE-OG 3.38Å; K496-I547 HydrophobicContact CB-CG1 4.3Å; K496-I547 HydrophobicContact CG-CD1 3.96Å; K496-I547 HydrophobicContact CG-CG1 3.7Å; K496-Y551 HydrophobicContact CB-CE2 4.48Å; K496-Y551 WeakPolarHBondContact CB-OH 3.25Å; K496-Y551 WeakPolarHBondContact CD-OH 3.31Å; K496-Y551 WeakPolarHBondContact CG-OH 3.49Å
497	L	92.4	Very high	91.5	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-46.4	175.8	-178.7	65.9	0	0	0	111.8	L243 L416 F417 V493 V494 Y499 Q500 V501 I547	L243-L497 HydrophobicContact CD1-CD1 3.78Å; L243-L497 HydrophobicContact CD2-CD1 4.27Å; L416-L497 HydrophobicContact CD2-CD1 4.36Å; L416-L497 HydrophobicContact CD2-CD2 4.11Å; F417-L497 HydrophobicContact CE1-CD2 4.37Å; F417-L497 HydrophobicContact CZ-CD2 3.75Å; V493-L497 PolarHBondContact O-N 3.45Å; V494-L497 PolarHBondContact O-N 3.45Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; L497-Y499 PolarHBondContact O-N 3.41Å; L497-Q500 PolarHBondContact O-N 2.88Å; L497-V501 WeakPolarHBondContact O-CG2 3.23Å; L497-V501 PolarHBondContact O-N 2.89Å; L497-I547 HydrophobicContact CB-CD1 4.33Å; L497-I547 HydrophobicContact CD1-CD1 4.24Å
498	I	93.5	Very high	91.4	Very high	100 Å²	100	45.3 Å²	45.3	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-47.8	177	-65.2	169.1	0	0	0	110	V494 G495 Q500 V501 L502	V494-I498 HydrophobicContact CG1-CD1 4.24Å; V494-I498 WeakPolarHBondContact O-CG1 3.24Å; V494-I498 PolarHBondContact O-N 3.43Å; V494-I498 VanDerWaalsContact O-N 3.08Å; G495-I498 PolarHBondContact O-N 3.36Å; I498-Q500 VanDerWaalsContact C-N 3.33Å; I498-Q500 PolarHBondContact O-N 2.8Å; I498-V501 PolarHBondContact O-N 3.46Å; I498-L502 HydrophobicContact CG2-CD1 4.03Å; I498-L502 HydrophobicContact CG2-CG 4.46Å; I498-L502 WeakPolarHBondContact O-CG 3.4Å; I498-L502 PolarHBondContact O-N 3.44Å
499	Y	94.5	Very high	91.4	Very high	20 Å²	20	49.4 Å²	49.4	8%	0.078	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-45.7	175.9	172.5	-99.8	0	0	0	112	A480 I483 D484 L487 G495 K496 L497 V501 L502 M503	A480-Y499 WeakPolarHBondContact CB-OH 3.37Å; A480-Y499 PolarHBondContact O-OH 3.02Å; A480-Y499 VanDerWaalsContact O-OH 3.06Å; I483-Y499 HydrophobicContact CB-CE2 4.38Å; I483-Y499 HydrophobicContact CG2-CD2 3.86Å; I483-Y499 HydrophobicContact CG2-CE2 3.92Å; D484-Y499 HydrophobicContact CB-CE1 4.4Å; L487-Y499 HydrophobicContact CD1-CD1 4.27Å; L487-Y499 HydrophobicContact CD1-CD2 4.24Å; L487-Y499 HydrophobicContact CD1-CG 3.78Å; G495-Y499 VanDerWaalsContact O-CB 3.31Å; G495-Y499 WeakPolarHBondContact O-CB 3.23Å; G495-Y499 PolarHBondContact O-N 3.13Å; K496-Y499 HydrophobicContact CD-CD1 4.28Å; K496-Y499 PolarHBondContact O-N 3.38Å; L497-Y499 VanDerWaalsContact C-N 3.34Å; L497-Y499 PolarHBondContact O-N 3.41Å; Y499-V501 PolarHBondContact O-N 3.32Å; Y499-L502 PolarHBondContact O-N 2.93Å; Y499-M503 HydrophobicContact CD1-CG 4.33Å; Y499-M503 HydrophobicContact CD2-CG 3.95Å; Y499-M503 HydrophobicContact CE1-CG 3.97Å; Y499-M503 HydrophobicContact CE2-CG 3.53Å; Y499-M503 HydrophobicContact CE2-SD 4.07Å; Y499-M503 HydrophobicContact CG-CG 4.33Å; Y499-M503 WeakPolarHBondContact O-CB 3.32Å; Y499-M503 VanDerWaalsContact O-CG 3.28Å; Y499-M503 WeakPolarHBondContact O-CG 3.26Å; Y499-M503 PolarHBondContact O-N 3.27Å
500	Q	93.7	Very high	91.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-43	178.2	175.9	156.1	-12.8	0	0	112.2	K496 L497 I498 M503 I504 F540 S543 I547	K496-Q500 WeakPolarHBondContact O-CB 3.47Å; K496-Q500 PolarHBondContact O-N 3.33Å; L497-Q500 PolarHBondContact O-N 2.88Å; I498-Q500 VanDerWaalsContact C-N 3.33Å; I498-Q500 PolarHBondContact O-N 2.8Å; Q500-M503 PolarHBondContact O-N 3.36Å; Q500-I504 HydrophobicContact CG-CD1 3.61Å; Q500-I504 HydrophobicContact CG-CG1 4.36Å; Q500-I504 WeakPolarHBondContact O-CB 3.39Å; Q500-I504 WeakPolarHBondContact O-CD1 3.41Å; Q500-I504 WeakPolarHBondContact O-CG1 3.47Å; Q500-I504 PolarHBondContact O-N 2.96Å; Q500-F540 HydrophobicContact CG-CD1 4.41Å; Q500-F540 PolarHBondContact NE2-O 3.36Å; Q500-F540 VanDerWaalsContact NE2-O 3.13Å; Q500-S543 PolarHBondContact OE1-OG 3.41Å; Q500-I547 HydrophobicContact CB-CD1 4.19Å
501	V	92.5	Very high	91.4	Very high	62 Å²	62	43.2 Å²	43.2	38%	0.376	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-47.4	177.1	173.6	0	0	0	0	111.5	F239 L497 I498 Y499 I504 A505	F239-V501 HydrophobicContact CD1-CG2 4.33Å; F239-V501 HydrophobicContact CE1-CB 4.21Å; F239-V501 HydrophobicContact CE1-CG1 4.38Å; F239-V501 HydrophobicContact CE1-CG2 3.76Å; F239-V501 HydrophobicContact CZ-CG1 4.37Å; L497-V501 WeakPolarHBondContact O-CG2 3.23Å; L497-V501 PolarHBondContact O-N 2.89Å; I498-V501 PolarHBondContact O-N 3.46Å; Y499-V501 PolarHBondContact O-N 3.32Å; V501-I504 PolarHBondContact O-N 3.22Å; V501-A505 PolarHBondContact O-N 3.18Å
502	L	94.2	Very high	91.4	Very high	114 Å²	114	41.5 Å²	41.5	60%	0.597	23%	0.227	S	C	*	.	H	α-helix	trans	-63	-43.7	179	-67.9	176.7	0	0	0	111.8	I498 Y499 A505 F506	I498-L502 HydrophobicContact CG2-CD1 4.03Å; I498-L502 HydrophobicContact CG2-CG 4.46Å; I498-L502 WeakPolarHBondContact O-CG 3.4Å; I498-L502 PolarHBondContact O-N 3.44Å; Y499-L502 PolarHBondContact O-N 2.93Å; L502-A505 PolarHBondContact O-N 3.07Å; L502-F506 WeakPolarHBondContact O-CB 3.37Å; L502-F506 PolarHBondContact O-N 2.98Å
503	M	93.2	Very high	91.2	Very high	38 Å²	38	42.6 Å²	42.6	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-69.8	-36.3	-179	-72.9	-60.2	-68	0	0	113	A480 Y499 Q500 L507 F540	A480-M503 HydrophobicContact CB-CE 3.88Å; Y499-M503 HydrophobicContact CD1-CG 4.33Å; Y499-M503 HydrophobicContact CD2-CG 3.95Å; Y499-M503 HydrophobicContact CE1-CG 3.97Å; Y499-M503 HydrophobicContact CE2-CG 3.53Å; Y499-M503 HydrophobicContact CE2-SD 4.07Å; Y499-M503 HydrophobicContact CG-CG 4.33Å; Y499-M503 WeakPolarHBondContact O-CB 3.32Å; Y499-M503 VanDerWaalsContact O-CG 3.28Å; Y499-M503 WeakPolarHBondContact O-CG 3.26Å; Y499-M503 PolarHBondContact O-N 3.27Å; Q500-M503 PolarHBondContact O-N 3.36Å; M503-L507 VanDerWaalsContact O-CB 3.29Å; M503-L507 WeakPolarHBondContact O-CB 3.5Å; M503-L507 PolarHBondContact O-N 3.15Å; M503-F540 HydrophobicContact CB-CE1 3.64Å; M503-F540 HydrophobicContact CB-CZ 3.79Å
504	I	93.6	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-48.7	173.3	-72.5	168	0	0	0	109.6	L235 L238 F239 Q500 V501 F506 L507 H508 F540	L235-I504 HydrophobicContact CD2-CG2 3.83Å; L238-I504 HydrophobicContact CB-CD1 4Å; L238-I504 HydrophobicContact CD1-CD1 4.19Å; L238-I504 HydrophobicContact CD1-CG1 4.33Å; L238-I504 HydrophobicContact CD1-CG2 4.31Å; F239-I504 HydrophobicContact CD1-CD1 4.19Å; F239-I504 HydrophobicContact CE1-CB 4.21Å; F239-I504 HydrophobicContact CE1-CD1 3.56Å; F239-I504 HydrophobicContact CE1-CG1 4.48Å; F239-I504 HydrophobicContact CE1-CG2 4.19Å; F239-I504 HydrophobicContact CE2-CG2 3.93Å; F239-I504 HydrophobicContact CZ-CB 3.83Å; F239-I504 HydrophobicContact CZ-CD1 4Å; F239-I504 HydrophobicContact CZ-CG2 3.49Å; F239-I504 VanDerWaalsContact CZ-CG2 3.49Å; Q500-I504 HydrophobicContact CG-CD1 3.61Å; Q500-I504 HydrophobicContact CG-CG1 4.36Å; Q500-I504 WeakPolarHBondContact O-CB 3.39Å; Q500-I504 WeakPolarHBondContact O-CD1 3.41Å; Q500-I504 WeakPolarHBondContact O-CG1 3.47Å; Q500-I504 PolarHBondContact O-N 2.96Å; V501-I504 PolarHBondContact O-N 3.22Å; I504-F506 PolarHBondContact O-N 3.11Å; I504-L507 PolarHBondContact O-N 3.31Å; I504-H508 PolarHBondContact O-N 3.27Å; I504-H508 VanDerWaalsContact O-N 3.1Å; I504-H508 PolarHBondContact O-ND1 3.03Å; I504-F540 HydrophobicContact CD1-CB 4.32Å; I504-F540 HydrophobicContact CD1-CD1 4.3Å; I504-F540 HydrophobicContact CD1-CG 4.16Å; I504-F540 HydrophobicContact CG1-CB 4.32Å; I504-F540 HydrophobicContact CG1-CD1 3.75Å; I504-F540 HydrophobicContact CG1-CD2 3.69Å; I504-F540 HydrophobicContact CG1-CE1 3.91Å; I504-F540 HydrophobicContact CG1-CE2 3.84Å; I504-F540 HydrophobicContact CG1-CG 3.66Å; I504-F540 HydrophobicContact CG1-CZ 3.96Å
505	A	92.1	Very high	91	Very high	46 Å²	46	40 Å²	40	38%	0.38	21%	0.214	S	C	.	.	H	α-helix	trans	-59.9	-46.5	178.1	0	0	0	0	0	111.6	V501 L502 L507 H508 I509	V501-A505 PolarHBondContact O-N 3.18Å; L502-A505 PolarHBondContact O-N 3.07Å; A505-L507 PolarHBondContact O-N 2.6Å; A505-H508 PolarHBondContact O-N 3Å; A505-I509 WeakPolarHBondContact O-CB 3.32Å; A505-I509 WeakPolarHBondContact O-CD1 3.24Å; A505-I509 VanDerWaalsContact O-CG1 3.27Å; A505-I509 WeakPolarHBondContact O-CG1 3.46Å; A505-I509 PolarHBondContact O-N 3.36Å
506	F	92.3	Very high	90.7	Very high	112 Å²	112	39.4 Å²	39.4	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-58	-48.3	176.9	179.1	-98.8	0	0	0	111.8	L502 I504 H508 I509 W510	L502-F506 WeakPolarHBondContact O-CB 3.37Å; L502-F506 PolarHBondContact O-N 2.98Å; I504-F506 PolarHBondContact O-N 3.11Å; F506-H508 PolarHBondContact O-N 3.06Å; F506-I509 PolarHBondContact O-N 3.35Å; F506-W510 HydrophobicContact CE1-CB 4.39Å; F506-W510 HydrophobicContact CE1-CD2 4.48Å; F506-W510 HydrophobicContact CE1-CG 4.42Å; F506-W510 HydrophobicContact CE2-CD2 4.49Å; F506-W510 AromaticContact CE2-CE3 3.8Å; F506-W510 HydrophobicContact CE2-CE3 3.8Å; F506-W510 HydrophobicContact CE2-CZ3 4.31Å; F506-W510 HydrophobicContact CZ-CB 4.48Å; F506-W510 AromaticContact CZ-CD2 3.95Å; F506-W510 HydrophobicContact CZ-CD2 3.95Å; F506-W510 AromaticContact CZ-CE3 3.64Å; F506-W510 HydrophobicContact CZ-CE3 3.64Å; F506-W510 HydrophobicContact CZ-CG 4.33Å; F506-W510 HydrophobicContact CZ-CZ3 4.19Å; F506-W510 WeakPolarHBondContact O-CB 3.5Å; F506-W510 PolarHBondContact O-N 3.1Å
507	L	91	Very high	90.3	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-44.9	-178.9	179.8	125.5	0	0	0	112.6	M503 I504 A505 W510 V511 L532 Y533 K536 F540	M503-L507 VanDerWaalsContact O-CB 3.29Å; M503-L507 WeakPolarHBondContact O-CB 3.5Å; M503-L507 PolarHBondContact O-N 3.15Å; I504-L507 PolarHBondContact O-N 3.31Å; A505-L507 PolarHBondContact O-N 2.6Å; L507-W510 PolarHBondContact O-N 2.81Å; L507-V511 HydrophobicContact CG-CG2 4.34Å; L507-V511 WeakPolarHBondContact O-CB 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.5Å; L507-V511 PolarHBondContact O-N 2.9Å; L507-L532 HydrophobicContact CD1-CD2 4.37Å; L507-Y533 HydrophobicContact CD2-CD2 3.32Å; L507-Y533 HydrophobicContact CD2-CE2 3.36Å; L507-Y533 HydrophobicContact CD2-CG 4.27Å; L507-Y533 HydrophobicContact CG-CD2 4.24Å; L507-K536 HydrophobicContact CD1-CB 3.57Å; L507-K536 HydrophobicContact CD1-CG 3.36Å; L507-F540 HydrophobicContact CB-CE2 4.23Å; L507-F540 HydrophobicContact CD1-CE2 4.13Å; L507-F540 HydrophobicContact CD2-CE2 4.19Å; L507-F540 HydrophobicContact CG-CE2 4.43Å
508	H	89.8	Confident	89.9	Confident	13 Å²	13	46.4 Å²	46.4	6%	0.06	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-43.7	179.8	-71	86	0	0	0	111.8	L231 I504 A505 F506 F512 Y533	L231-H508 HydrophobicContact CD1-CB 4.29Å; L231-H508 WeakPolarHBondContact CD1-CD2 3.43Å; I504-H508 PolarHBondContact O-N 3.27Å; I504-H508 VanDerWaalsContact O-N 3.1Å; I504-H508 PolarHBondContact O-ND1 3.03Å; A505-H508 PolarHBondContact O-N 3Å; F506-H508 PolarHBondContact O-N 3.06Å; H508-F512 WeakPolarHBondContact O-CB 3.43Å; H508-F512 WeakPolarHBondContact O-CD2 3.32Å; H508-F512 PolarHBondContact O-N 3.39Å; H508-F512 VanDerWaalsContact O-N 3.16Å; H508-Y533 AromaticContact CD2-CE2 3.86Å; H508-Y533 PolarHBondContact CD2-OH 3.29Å; H508-Y533 AromaticContact NE2-CE2 3.92Å; H508-Y533 AromaticContact NE2-CZ 3.8Å; H508-Y533 PolarHBondContact NE2-OH 3.45Å
509	I	90	Very high	89.4	Confident	91 Å²	91	41.9 Å²	41.9	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-43.7	176.3	-67.9	167.7	0	0	0	110.2	A505 F506 L513 V514	A505-I509 WeakPolarHBondContact O-CB 3.32Å; A505-I509 WeakPolarHBondContact O-CD1 3.24Å; A505-I509 VanDerWaalsContact O-CG1 3.27Å; A505-I509 WeakPolarHBondContact O-CG1 3.46Å; A505-I509 PolarHBondContact O-N 3.36Å; F506-I509 PolarHBondContact O-N 3.35Å; I509-L513 HydrophobicContact CG2-CD1 4.31Å; I509-L513 WeakPolarHBondContact O-CA 3.34Å; I509-L513 VanDerWaalsContact O-CB 3.24Å; I509-L513 WeakPolarHBondContact O-CB 3.27Å; I509-L513 PolarHBondContact O-N 3.31Å; I509-V514 HydrophobicContact CG2-CG2 4.23Å; I509-V514 PolarHBondContact O-N 3.06Å; I509-V514 VanDerWaalsContact O-N 3.1Å
510	W	89.5	Confident	88.8	Confident	36 Å²	36	47.8 Å²	47.8	14%	0.136	24%	0.241	C	C	.	.	I	π-helix	trans	-67	-51.2	-176.6	-168	-91.7	0	0	0	112.1	V472 M473 F506 L507 V514 L515	V472-W510 HydrophobicContact CG1-CH2 3.9Å; V472-W510 HydrophobicContact CG1-CZ2 4.4Å; M473-W510 HydrophobicContact CG-CZ2 3.86Å; M473-W510 PolarHBondContact SD-NE1 3.17Å; F506-W510 HydrophobicContact CE1-CB 4.39Å; F506-W510 HydrophobicContact CE1-CD2 4.48Å; F506-W510 HydrophobicContact CE1-CG 4.42Å; F506-W510 HydrophobicContact CE2-CD2 4.49Å; F506-W510 AromaticContact CE2-CE3 3.8Å; F506-W510 HydrophobicContact CE2-CE3 3.8Å; F506-W510 HydrophobicContact CE2-CZ3 4.31Å; F506-W510 HydrophobicContact CZ-CB 4.48Å; F506-W510 AromaticContact CZ-CD2 3.95Å; F506-W510 HydrophobicContact CZ-CD2 3.95Å; F506-W510 AromaticContact CZ-CE3 3.64Å; F506-W510 HydrophobicContact CZ-CE3 3.64Å; F506-W510 HydrophobicContact CZ-CG 4.33Å; F506-W510 HydrophobicContact CZ-CZ3 4.19Å; F506-W510 WeakPolarHBondContact O-CB 3.5Å; F506-W510 PolarHBondContact O-N 3.1Å; L507-W510 PolarHBondContact O-N 2.81Å; W510-V514 HydrophobicContact CD2-CB 4.27Å; W510-V514 HydrophobicContact CD2-CG1 4.25Å; W510-V514 HydrophobicContact CE3-CB 4.11Å; W510-V514 HydrophobicContact CE3-CG1 3.93Å; W510-V514 HydrophobicContact CE3-CG2 4.22Å; W510-V514 HydrophobicContact CH2-CG1 4.19Å; W510-V514 HydrophobicContact CZ2-CG1 4.49Å; W510-V514 HydrophobicContact CZ3-CG1 3.9Å; W510-V514 PolarHBondContact O-N 3.38Å; W510-L515 VanDerWaalsContact O-CB 3.25Å; W510-L515 WeakPolarHBondContact O-CB 3.43Å; W510-L515 PolarHBondContact O-N 3.16Å
511	V	87.6	Confident	88.1	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.042	26%	0.261	C	S	.	.	I	π-helix	trans	-72.2	-37.7	-174.7	174.4	0	0	0	0	112.4	L507 P516 Y533	L507-V511 HydrophobicContact CG-CG2 4.34Å; L507-V511 WeakPolarHBondContact O-CB 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.5Å; L507-V511 PolarHBondContact O-N 2.9Å; V511-P516 VanDerWaalsContact O-CD 3.27Å; V511-P516 WeakPolarHBondContact O-CD 3.45Å; V511-P516 WeakPolarHBondContact O-CG 3.46Å; V511-Y533 HydrophobicContact CB-CD2 4.34Å; V511-Y533 HydrophobicContact CG1-CD2 4.22Å; V511-Y533 HydrophobicContact CG2-CD2 4.39Å
512	F	86.7	Confident	87.5	Confident	27 Å²	27	51.6 Å²	51.6	12%	0.118	25%	0.253	C	S	.	.	I	π-helix	trans	-96.6	-21.9	-174.7	-62.8	-65.5	0	0	0	114.6	Q222 L231 H508 A523 Y533	Q222-F512 HydrophobicContact CG-CE1 4.5Å; Q222-F512 HydrophobicContact CG-CE2 3.97Å; Q222-F512 HydrophobicContact CG-CZ 3.62Å; L231-F512 HydrophobicContact CD1-CD2 4.4Å; L231-F512 HydrophobicContact CD1-CE2 4.48Å; H508-F512 WeakPolarHBondContact O-CB 3.43Å; H508-F512 WeakPolarHBondContact O-CD2 3.32Å; H508-F512 PolarHBondContact O-N 3.39Å; H508-F512 VanDerWaalsContact O-N 3.16Å; F512-A523 HydrophobicContact CD1-CB 4.02Å; F512-A523 HydrophobicContact CE1-CB 4.35Å; F512-Y533 HydrophobicContact CD2-CE2 4.44Å; F512-Y533 AromaticContact CE2-CD2 3.93Å; F512-Y533 HydrophobicContact CE2-CD2 3.93Å; F512-Y533 AromaticContact CE2-CE2 3.37Å; F512-Y533 HydrophobicContact CE2-CE2 3.37Å; F512-Y533 AromaticContact CE2-CZ 3.83Å; F512-Y533 HydrophobicContact CZ-CD2 4.06Å; F512-Y533 HydrophobicContact CZ-CE1 4.5Å; F512-Y533 AromaticContact CZ-CE2 3.78Å; F512-Y533 HydrophobicContact CZ-CE2 3.78Å
513	L	85.8	Confident	86.9	Confident	70 Å²	70	46.9 Å²	46.9	37%	0.366	23%	0.231	S	C	.	.	I	π-helix	trans	-115.5	-55	-177.9	-52.5	174.5	0	0	0	112.5	M291 L296 I509 N517	M291-L513 HydrophobicContact CE-CD2 4.03Å; L296-L513 HydrophobicContact CD1-CD2 3.91Å; I509-L513 HydrophobicContact CG2-CD1 4.31Å; I509-L513 WeakPolarHBondContact O-CA 3.34Å; I509-L513 VanDerWaalsContact O-CB 3.24Å; I509-L513 WeakPolarHBondContact O-CB 3.27Å; I509-L513 PolarHBondContact O-N 3.31Å; L513-N517 WeakPolarHBondContact O-CB 3.4Å; L513-N517 PolarHBondContact O-N 3.07Å
514	V	87.5	Confident	86.4	Confident	42 Å²	42	46.5 Å²	46.5	26%	0.255	23%	0.229	S	C	.	.	I	π-helix	trans	-72.8	-51.2	-172.9	-179.3	0	0	0	0	111.5	I509 W510 N517 M518	I509-V514 HydrophobicContact CG2-CG2 4.23Å; I509-V514 PolarHBondContact O-N 3.06Å; I509-V514 VanDerWaalsContact O-N 3.1Å; W510-V514 HydrophobicContact CD2-CB 4.27Å; W510-V514 HydrophobicContact CD2-CG1 4.25Å; W510-V514 HydrophobicContact CE3-CB 4.11Å; W510-V514 HydrophobicContact CE3-CG1 3.93Å; W510-V514 HydrophobicContact CE3-CG2 4.22Å; W510-V514 HydrophobicContact CH2-CG1 4.19Å; W510-V514 HydrophobicContact CZ2-CG1 4.49Å; W510-V514 HydrophobicContact CZ3-CG1 3.9Å; W510-V514 PolarHBondContact O-N 3.38Å; V514-N517 PolarHBondContact O-N 3.43Å; V514-M518 HydrophobicContact CG1-CG 4.21Å; V514-M518 HydrophobicContact CG1-SD 3.65Å; V514-M518 WeakPolarHBondContact O-CG 3.47Å; V514-M518 PolarHBondContact O-N 3.01Å
515	L	86.1	Confident	85.9	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-44.5	-175.1	-171.5	73.9	0	0	0	112.5	F449 W510 N517 M518 T519 A529	F449-L515 HydrophobicContact CD1-CD1 3.73Å; F449-L515 HydrophobicContact CD1-CD2 4.21Å; F449-L515 HydrophobicContact CE1-CD1 4.45Å; F449-L515 HydrophobicContact CE1-CD2 4.19Å; W510-L515 VanDerWaalsContact O-CB 3.25Å; W510-L515 WeakPolarHBondContact O-CB 3.43Å; W510-L515 PolarHBondContact O-N 3.16Å; L515-N517 VanDerWaalsContact C-N 3.31Å; L515-N517 PolarHBondContact O-N 3.25Å; L515-M518 PolarHBondContact O-N 2.9Å; L515-T519 HydrophobicContact CD1-CG2 3.8Å; L515-T519 HydrophobicContact CG-CG2 4.19Å; L515-T519 WeakPolarHBondContact O-CB 3.25Å; L515-T519 WeakPolarHBondContact O-CG2 3.37Å; L515-T519 PolarHBondContact O-N 3.46Å; L515-T519 PolarHBondContact O-OG1 3.25Å; L515-A529 HydrophobicContact CD2-CB 3.63Å
516	P	85.6	Confident	85.6	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-38	177.3	-24	38.1	0	0	0	112	P290 V511 R520 R521 A523	P290-P516 HydrophobicContact CB-CB 3.77Å; P290-P516 HydrophobicContact CG-CB 4.47Å; P290-P516 VanDerWaalsContact CG-O 3.25Å; P290-P516 WeakPolarHBondContact CG-O 3.43Å; V511-P516 VanDerWaalsContact O-CD 3.27Å; V511-P516 WeakPolarHBondContact O-CD 3.45Å; V511-P516 WeakPolarHBondContact O-CG 3.46Å; P516-R520 WeakPolarHBondContact O-CA 3.46Å; P516-R520 PolarHBondContact O-N 2.89Å; P516-R521 VanDerWaalsContact CA-O 3.3Å; P516-R521 WeakPolarHBondContact CA-O 3.49Å; P516-R521 WeakPolarHBondContact CB-O 3.33Å; P516-A523 HydrophobicContact CG-CB 4.14Å
517	N	85.4	Confident	85.5	Confident	85 Å²	85	49.2 Å²	49.2	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-41.9	176.4	-172.7	35.4	0	0	0	112.4	L513 V514 L515	L513-N517 WeakPolarHBondContact O-CB 3.4Å; L513-N517 PolarHBondContact O-N 3.07Å; V514-N517 PolarHBondContact O-N 3.43Å; L515-N517 VanDerWaalsContact C-N 3.31Å; L515-N517 PolarHBondContact O-N 3.25Å
518	M	84.4	Confident	85.4	Confident	89 Å²	89	50.4 Å²	50.4	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-78.2	-31	-178.3	-68.8	-174.6	79.9	0	0	114.3	T469 V514 L515	T469-M518 HydrophobicContact CG2-CB 4Å; T469-M518 HydrophobicContact CG2-CE 3.32Å; T469-M518 HydrophobicContact CG2-CG 4.46Å; T469-M518 HydrophobicContact CG2-SD 3.63Å; V514-M518 HydrophobicContact CG1-CG 4.21Å; V514-M518 HydrophobicContact CG1-SD 3.65Å; V514-M518 WeakPolarHBondContact O-CG 3.47Å; V514-M518 PolarHBondContact O-N 3.01Å; L515-M518 PolarHBondContact O-N 2.9Å
519	T	81.7	Confident	85.4	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-99.3	-8.2	-176.8	60.3	0	0	0	0	113.7	F449 L515 R521	F449-T519 VanDerWaalsContact O-CG2 3.22Å; F449-T519 WeakPolarHBondContact O-CG2 3.45Å; L515-T519 HydrophobicContact CD1-CG2 3.8Å; L515-T519 HydrophobicContact CG-CG2 4.19Å; L515-T519 WeakPolarHBondContact O-CB 3.25Å; L515-T519 WeakPolarHBondContact O-CG2 3.37Å; L515-T519 PolarHBondContact O-N 3.46Å; L515-T519 PolarHBondContact O-OG1 3.25Å; T519-R521 PolarHBondContact O-N 3.3Å; T519-R521 PolarHBondContact OG1-N 3.17Å
520	R	82.3	Confident	85.4	Confident	144 Å²	144	46.5 Å²	46.5	54%	0.543	23%	0.231	S	C	.	.	S	Bend	trans	53.3	21.2	-171.8	-59.7	-68.7	-176.9	-179.5	-1	114	E451 P516	E451-R520 WeakPolarHBondContact OE1-CG 3.37Å; P516-R520 WeakPolarHBondContact O-CA 3.46Å; P516-R520 PolarHBondContact O-N 2.89Å
521	R	79.5	Confident	85.5	Confident	113 Å²	113	46.6 Å²	46.6	43%	0.426	24%	0.239	S	C	.	.	S	Bend	trans	-113.5	130.5	176	-68.9	178.7	-177.3	176	3.4	108.9	P516 T519	P516-R521 VanDerWaalsContact CA-O 3.3Å; P516-R521 WeakPolarHBondContact CA-O 3.49Å; P516-R521 WeakPolarHBondContact CB-O 3.33Å; T519-R521 PolarHBondContact O-N 3.3Å; T519-R521 PolarHBondContact OG1-N 3.17Å
522	S	79.1	Confident	85.8	Confident	29 Å²	29	46.6 Å²	46.6	20%	0.203	24%	0.239	C	C	.	.			trans	-59	144.9	173.5	74.1	0	0	0	0	110.3	I524 S525 N526	S522-I524 PolarHBondContact O-N 3.49Å; S522-S525 PolarHBondContact N-OG 3.43Å; S522-S525 PolarHBondContact O-N 2.88Å; S522-S525 PolarHBondContact O-OG 3.33Å; S522-S525 PolarHBondContact OG-N 3.43Å; S522-S525 PolarHBondContact OG-OG 3.22Å; S522-N526 PolarHBondContact O-N 3.48Å
523	A	81.1	Confident	86.1	Confident	16 Å²	16	45.4 Å²	45.4	13%	0.132	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26	177.8	0	0	0	0	0	112.6	F512 P516	F512-A523 HydrophobicContact CD1-CB 4.02Å; F512-A523 HydrophobicContact CE1-CB 4.35Å; P516-A523 HydrophobicContact CG-CB 4.14Å
524	I	82.4	Confident	86.4	Confident	29 Å²	29	43.1 Å²	43.1	15%	0.149	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-32.4	-177.3	-57.5	156.3	0	0	0	111.1	T225 S522 N526 Q530	T225-I524 WeakPolarHBondContact O-CD1 3.31Å; S522-I524 PolarHBondContact O-N 3.49Å; I524-N526 VanDerWaalsContact C-N 3.29Å; I524-Q530 PolarHBondContact O-NE2 2.96Å
525	S	83.7	Confident	86.8	Confident	68 Å²	68	43.1 Å²	43.1	48%	0.476	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	173.8	49.5	0	0	0	0	113.2	S522 H527	S522-S525 PolarHBondContact N-OG 3.43Å; S522-S525 PolarHBondContact O-N 2.88Å; S522-S525 PolarHBondContact O-OG 3.33Å; S522-S525 PolarHBondContact OG-N 3.43Å; S522-S525 PolarHBondContact OG-OG 3.22Å; S525-H527 PolarHBondContact O-N 3.47Å
526	N	86.7	Confident	87.2	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.043	22%	0.221	C	C	.	.			trans	-95.7	87.4	-174.9	-169	-19.2	0	0	0	111.6	A448 S522 I524 V528 A529 Q530	A448-N526 WeakPolarHBondContact CB-OD1 3.38Å; A448-N526 PolarHBondContact O-ND2 3.26Å; S522-N526 PolarHBondContact O-N 3.48Å; I524-N526 VanDerWaalsContact C-N 3.29Å; N526-V528 PolarHBondContact O-N 2.88Å; N526-V528 PolarHBondContact OD1-N 2.98Å; N526-A529 HydrophobicContact CB-CB 3.93Å; N526-A529 PolarHBondContact O-N 3.5Å; N526-A529 VanDerWaalsContact O-N 3.16Å; N526-A529 PolarHBondContact OD1-N 2.94Å; N526-A529 VanDerWaalsContact OD1-N 3.11Å; N526-Q530 WeakPolarHBondContact O-CG 3.45Å; N526-Q530 PolarHBondContact O-N 2.99Å
527	H	88.6	Confident	87.5	Confident	140 Å²	140	43 Å²	43	65%	0.648	22%	0.22	S	C	*	.	H	α-helix	trans	-58.8	-31.5	-179.7	-64.8	-51.4	0	0	0	114.3	S525 Q530 A531	S525-H527 PolarHBondContact O-N 3.47Å; H527-Q530 PolarHBondContact ND1-OE1 3.32Å; H527-Q530 WeakPolarHBondContact O-CB 3.46Å; H527-Q530 PolarHBondContact O-N 3.39Å; H527-A531 WeakPolarHBondContact O-CB 3.09Å; H527-A531 PolarHBondContact O-N 2.85Å
528	V	89.7	Confident	87.9	Confident	37 Å²	37	40.8 Å²	40.8	22%	0.224	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-45.2	177.5	179.6	0	0	0	0	110.2	I441 A448 F449 N526 Q530 A531 L532	I441-V528 HydrophobicContact CG2-CG1 3.96Å; A448-V528 HydrophobicContact CB-CB 3.64Å; A448-V528 HydrophobicContact CB-CG1 4.18Å; A448-V528 HydrophobicContact CB-CG2 3.67Å; F449-V528 HydrophobicContact CE2-CG1 3.72Å; F449-V528 HydrophobicContact CZ-CG1 3.84Å; N526-V528 PolarHBondContact O-N 2.88Å; N526-V528 PolarHBondContact OD1-N 2.98Å; V528-Q530 VanDerWaalsContact C-N 3.31Å; V528-Q530 PolarHBondContact O-N 2.99Å; V528-A531 PolarHBondContact O-N 3.35Å; V528-L532 WeakPolarHBondContact O-CB 3.35Å; V528-L532 PolarHBondContact O-N 3.2Å
529	A	89	Confident	88.4	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-36.9	175.7	0	0	0	0	0	112	L515 N526 L532 Y533	L515-A529 HydrophobicContact CD2-CB 3.63Å; N526-A529 HydrophobicContact CB-CB 3.93Å; N526-A529 PolarHBondContact O-N 3.5Å; N526-A529 VanDerWaalsContact O-N 3.16Å; N526-A529 PolarHBondContact OD1-N 2.94Å; N526-A529 VanDerWaalsContact OD1-N 3.11Å; A529-L532 PolarHBondContact O-N 2.92Å; A529-Y533 WeakPolarHBondContact O-CB 3.37Å; A529-Y533 PolarHBondContact O-N 3.44Å
530	Q	91	Very high	89	Confident	21 Å²	21	36.3 Å²	36.3	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-52	172.5	-70.3	177.6	-24.3	0	0	111.4	V223 I524 N526 H527 V528 L532 Y533 V534	V223-Q530 HydrophobicContact CG1-CB 3.55Å; V223-Q530 HydrophobicContact CG1-CG 3.64Å; I524-Q530 PolarHBondContact O-NE2 2.96Å; N526-Q530 WeakPolarHBondContact O-CG 3.45Å; N526-Q530 PolarHBondContact O-N 2.99Å; H527-Q530 PolarHBondContact ND1-OE1 3.32Å; H527-Q530 WeakPolarHBondContact O-CB 3.46Å; H527-Q530 PolarHBondContact O-N 3.39Å; V528-Q530 VanDerWaalsContact C-N 3.31Å; V528-Q530 PolarHBondContact O-N 2.99Å; Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 3.22Å; Q530-Y533 PolarHBondContact O-N 3.27Å; Q530-V534 VanDerWaalsContact O-CG2 3.27Å; Q530-V534 WeakPolarHBondContact O-CG2 3.4Å; Q530-V534 PolarHBondContact O-N 2.97Å
531	A	92.3	Very high	89.5	Confident	37 Å²	37	30.4 Å²	30.4	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-59.1	-43.2	178.8	0	0	0	0	0	111.8	H527 V528 Y533 V534 I535	H527-A531 WeakPolarHBondContact O-CB 3.09Å; H527-A531 PolarHBondContact O-N 2.85Å; V528-A531 PolarHBondContact O-N 3.35Å; A531-Y533 PolarHBondContact O-N 2.99Å; A531-V534 PolarHBondContact O-N 3.32Å; A531-I535 WeakPolarHBondContact O-CB 3.41Å; A531-I535 WeakPolarHBondContact O-CG1 3.36Å; A531-I535 PolarHBondContact O-N 3.02Å
532	L	92.4	Very high	90.1	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-47	175.8	-175.5	154.7	0	0	0	111.6	M442 F449 M473 L507 V528 A529 Q530 V534 I535 K536	M442-L532 HydrophobicContact CG-CD1 3.38Å; M442-L532 HydrophobicContact SD-CD1 3.73Å; F449-L532 HydrophobicContact CE1-CD1 4.42Å; F449-L532 HydrophobicContact CZ-CD1 3.99Å; M473-L532 HydrophobicContact CE-CD1 3.76Å; L507-L532 HydrophobicContact CD1-CD2 4.37Å; V528-L532 WeakPolarHBondContact O-CB 3.35Å; V528-L532 PolarHBondContact O-N 3.2Å; A529-L532 PolarHBondContact O-N 2.92Å; Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 3.22Å; L532-V534 PolarHBondContact O-N 3.46Å; L532-I535 PolarHBondContact O-N 3.05Å; L532-K536 VanDerWaalsContact O-CB 3.23Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.45Å
533	Y	93.1	Very high	90.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.8	179.6	-83.5	0	0	0	111.8	I219 Q222 V223 L507 H508 V511 F512 A529 Q530 A531 S537	I219-Y533 HydrophobicContact CG2-CD1 4.27Å; I219-Y533 HydrophobicContact CG2-CE1 3.92Å; Q222-Y533 HydrophobicContact CG-CE1 4.3Å; Q222-Y533 WeakPolarHBondContact CG-OH 3.25Å; V223-Y533 HydrophobicContact CG2-CD1 3.19Å; V223-Y533 HydrophobicContact CG2-CE1 3.61Å; V223-Y533 HydrophobicContact CG2-CG 4.16Å; L507-Y533 HydrophobicContact CD2-CD2 3.32Å; L507-Y533 HydrophobicContact CD2-CE2 3.36Å; L507-Y533 HydrophobicContact CD2-CG 4.27Å; L507-Y533 HydrophobicContact CG-CD2 4.24Å; H508-Y533 AromaticContact CD2-CE2 3.86Å; H508-Y533 PolarHBondContact CD2-OH 3.29Å; H508-Y533 AromaticContact NE2-CE2 3.92Å; H508-Y533 AromaticContact NE2-CZ 3.8Å; H508-Y533 PolarHBondContact NE2-OH 3.45Å; V511-Y533 HydrophobicContact CB-CD2 4.34Å; V511-Y533 HydrophobicContact CG1-CD2 4.22Å; V511-Y533 HydrophobicContact CG2-CD2 4.39Å; F512-Y533 HydrophobicContact CD2-CE2 4.44Å; F512-Y533 AromaticContact CE2-CD2 3.93Å; F512-Y533 HydrophobicContact CE2-CD2 3.93Å; F512-Y533 AromaticContact CE2-CE2 3.37Å; F512-Y533 HydrophobicContact CE2-CE2 3.37Å; F512-Y533 AromaticContact CE2-CZ 3.83Å; F512-Y533 HydrophobicContact CZ-CD2 4.06Å; F512-Y533 HydrophobicContact CZ-CE1 4.5Å; F512-Y533 AromaticContact CZ-CE2 3.78Å; F512-Y533 HydrophobicContact CZ-CE2 3.78Å; A529-Y533 WeakPolarHBondContact O-CB 3.37Å; A529-Y533 PolarHBondContact O-N 3.44Å; Q530-Y533 PolarHBondContact O-N 3.27Å; A531-Y533 PolarHBondContact O-N 2.99Å; Y533-S537 VanDerWaalsContact O-CB 3.23Å; Y533-S537 WeakPolarHBondContact O-CB 3.45Å; Y533-S537 PolarHBondContact O-N 3.49Å; Y533-S537 PolarHBondContact O-OG 2.96Å
534	V	93.6	Very high	91.2	Very high	23 Å²	23	24 Å²	24	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-52.4	178.6	171.2	0	0	0	0	110.7	F216 M220 V223 Q530 A531 L532 S537 C538	F216-V534 HydrophobicContact CE2-CG1 4.5Å; M220-V534 HydrophobicContact CE-CB 3.92Å; M220-V534 HydrophobicContact CE-CG1 3.33Å; M220-V534 HydrophobicContact CE-CG2 3.25Å; V223-V534 HydrophobicContact CB-CG2 4.39Å; V223-V534 HydrophobicContact CG1-CG2 4.16Å; V223-V534 HydrophobicContact CG2-CG2 3.69Å; Q530-V534 VanDerWaalsContact O-CG2 3.27Å; Q530-V534 WeakPolarHBondContact O-CG2 3.4Å; Q530-V534 PolarHBondContact O-N 2.97Å; A531-V534 PolarHBondContact O-N 3.32Å; L532-V534 PolarHBondContact O-N 3.46Å; V534-S537 WeakPolarHBondContact O-CB 3.34Å; V534-S537 PolarHBondContact O-N 3.47Å; V534-C538 PolarHBondContact O-N 2.91Å; V534-C538 PolarHBondContact O-SG 3.13Å; V534-C538 VanDerWaalsContact O-SG 3.39Å
535	I	94.5	Very high	91.5	Very high	41 Å²	41	25.9 Å²	25.9	21%	0.21	14%	0.143	C	C	.	.	H	α-helix	trans	-69.6	-39.7	-173.7	-67.7	166.9	0	0	0	110.2	I434 I437 C438 I441 A531 L532 S537 C538 Y539	I434-I535 HydrophobicContact CG2-CG2 3.54Å; I434-I535 VanDerWaalsContact CG2-O 3.29Å; I434-I535 WeakPolarHBondContact CG2-O 3.44Å; I437-I535 HydrophobicContact CG2-CD1 4.08Å; I437-I535 HydrophobicContact CG2-CG2 4.18Å; C438-I535 WeakPolarHBondContact SG-CG2 3.4Å; I441-I535 HydrophobicContact CD1-CD1 3.15Å; A531-I535 WeakPolarHBondContact O-CB 3.41Å; A531-I535 WeakPolarHBondContact O-CG1 3.36Å; A531-I535 PolarHBondContact O-N 3.02Å; L532-I535 PolarHBondContact O-N 3.05Å; I535-S537 VanDerWaalsContact C-N 3.3Å; I535-S537 PolarHBondContact O-N 2.99Å; I535-C538 WeakPolarHBondContact O-CB 3.42Å; I535-C538 PolarHBondContact O-N 2.83Å; I535-C538 VanDerWaalsContact O-N 3.16Å; I535-Y539 PolarHBondContact O-N 3.42Å
536	K	94.4	Very high	91.7	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.03	12%	0.12	C	C	.	.	H	α-helix	trans	-69.1	-29.3	174.5	-161.9	66.8	178.3	-178.2	0	112.3	D435 L507 L532 Y539 F540	D435-K536 VanDerWaalsContact CG-NZ 3.26Å; D435-K536 IonicContact OD1-NZ 3.36Å; D435-K536 PolarHBondContact OD1-NZ 3.07Å; D435-K536 IonicContact OD2-NZ 2.8Å; D435-K536 PolarHBondContact OD2-NZ 3.34Å; L507-K536 HydrophobicContact CD1-CB 3.57Å; L507-K536 HydrophobicContact CD1-CG 3.36Å; L532-K536 VanDerWaalsContact O-CB 3.23Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.45Å; K536-Y539 HydrophobicContact CD-CD1 4.22Å; K536-Y539 HydrophobicContact CD-CG 4.31Å; K536-Y539 VanDerWaalsContact O-CB 3.31Å; K536-Y539 WeakPolarHBondContact O-CB 3.42Å; K536-Y539 PolarHBondContact O-N 3.21Å; K536-F540 HydrophobicContact CG-CE2 3.97Å; K536-F540 HydrophobicContact CG-CZ 4.14Å; K536-F540 WeakPolarHBondContact O-CD2 3.28Å; K536-F540 WeakPolarHBondContact O-CG 3.47Å; K536-F540 PolarHBondContact O-N 3Å
537	S	93.4	Very high	91.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-37.7	170	-59.7	0	0	0	0	111.9	Y533 V534 I535 Y539 F540 L541	Y533-S537 VanDerWaalsContact O-CB 3.23Å; Y533-S537 WeakPolarHBondContact O-CB 3.45Å; Y533-S537 PolarHBondContact O-N 3.49Å; Y533-S537 PolarHBondContact O-OG 2.96Å; V534-S537 WeakPolarHBondContact O-CB 3.34Å; V534-S537 PolarHBondContact O-N 3.47Å; I535-S537 VanDerWaalsContact C-N 3.3Å; I535-S537 PolarHBondContact O-N 2.99Å; S537-Y539 VanDerWaalsContact C-N 3.32Å; S537-Y539 PolarHBondContact O-N 3.31Å; S537-F540 PolarHBondContact O-N 2.96Å; S537-F540 VanDerWaalsContact O-N 3.15Å; S537-L541 PolarHBondContact O-N 3.3Å
538	C	93	Very high	91.7	Very high	38 Å²	38	17.7 Å²	17.7	26%	0.257	10%	0.095	S	C	.	.	H	α-helix	trans	-60.9	-40.4	169.4	-66.2	0	0	0	0	111.6	V534 I535 F540 L541 V542	V534-C538 PolarHBondContact O-N 2.91Å; V534-C538 PolarHBondContact O-SG 3.13Å; V534-C538 VanDerWaalsContact O-SG 3.39Å; I535-C538 WeakPolarHBondContact O-CB 3.42Å; I535-C538 PolarHBondContact O-N 2.83Å; I535-C538 VanDerWaalsContact O-N 3.16Å; C538-F540 VanDerWaalsContact C-N 3.33Å; C538-F540 PolarHBondContact O-N 3.47Å; C538-L541 WeakPolarHBondContact O-CB 3.49Å; C538-L541 PolarHBondContact O-N 3.48Å; C538-V542 WeakPolarHBondContact O-CG2 3.35Å; C538-V542 PolarHBondContact O-N 3.41Å
539	Y	94.9	Very high	91.3	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-56.7	-45.7	171	166.4	-84.8	0	0	0	111.3	M431 D435 D484 K496 I535 K536 S537 L541 V542 S543	M431-Y539 HydrophobicContact CB-CD2 4.02Å; M431-Y539 HydrophobicContact CB-CE2 3.78Å; M431-Y539 HydrophobicContact CE-CD2 4.46Å; M431-Y539 HydrophobicContact CE-CE1 4.48Å; M431-Y539 HydrophobicContact CE-CE2 3.68Å; M431-Y539 HydrophobicContact CG-CE2 4.43Å; M431-Y539 WeakPolarHBondContact O-CD2 3.4Å; D435-Y539 VanDerWaalsContact OD1-CD2 3.32Å; D435-Y539 WeakPolarHBondContact OD1-CD2 3.22Å; D435-Y539 WeakPolarHBondContact OD2-CE2 3.33Å; D484-Y539 VanDerWaalsContact CG-OH 3.24Å; D484-Y539 PolarHBondContact OD2-OH 2.93Å; K496-Y539 PolarHBondContact NZ-OH 3.37Å; I535-Y539 PolarHBondContact O-N 3.42Å; K536-Y539 HydrophobicContact CD-CD1 4.22Å; K536-Y539 HydrophobicContact CD-CG 4.31Å; K536-Y539 VanDerWaalsContact O-CB 3.31Å; K536-Y539 WeakPolarHBondContact O-CB 3.42Å; K536-Y539 PolarHBondContact O-N 3.21Å; S537-Y539 VanDerWaalsContact C-N 3.32Å; S537-Y539 PolarHBondContact O-N 3.31Å; Y539-L541 VanDerWaalsContact C-N 3.3Å; Y539-L541 PolarHBondContact O-N 2.92Å; Y539-V542 PolarHBondContact O-N 3.46Å; Y539-S543 VanDerWaalsContact O-CB 3.23Å; Y539-S543 WeakPolarHBondContact O-CB 3.38Å; Y539-S543 PolarHBondContact O-N 2.84Å
540	F	94.5	Very high	91	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-31.7	177.7	-64.7	-49.6	0	0	0	113.1	L238 Q500 M503 I504 L507 K536 S537 C538 A544	L238-F540 HydrophobicContact CD1-CB 4.43Å; L238-F540 HydrophobicContact CD1-CD2 4.49Å; L238-F540 HydrophobicContact CD2-CB 3.76Å; Q500-F540 HydrophobicContact CG-CD1 4.41Å; Q500-F540 PolarHBondContact NE2-O 3.36Å; Q500-F540 VanDerWaalsContact NE2-O 3.13Å; M503-F540 HydrophobicContact CB-CE1 3.64Å; M503-F540 HydrophobicContact CB-CZ 3.79Å; I504-F540 HydrophobicContact CD1-CB 4.32Å; I504-F540 HydrophobicContact CD1-CD1 4.3Å; I504-F540 HydrophobicContact CD1-CG 4.16Å; I504-F540 HydrophobicContact CG1-CB 4.32Å; I504-F540 HydrophobicContact CG1-CD1 3.75Å; I504-F540 HydrophobicContact CG1-CD2 3.69Å; I504-F540 HydrophobicContact CG1-CE1 3.91Å; I504-F540 HydrophobicContact CG1-CE2 3.84Å; I504-F540 HydrophobicContact CG1-CG 3.66Å; I504-F540 HydrophobicContact CG1-CZ 3.96Å; L507-F540 HydrophobicContact CB-CE2 4.23Å; L507-F540 HydrophobicContact CD1-CE2 4.13Å; L507-F540 HydrophobicContact CD2-CE2 4.19Å; L507-F540 HydrophobicContact CG-CE2 4.43Å; K536-F540 HydrophobicContact CG-CE2 3.97Å; K536-F540 HydrophobicContact CG-CZ 4.14Å; K536-F540 WeakPolarHBondContact O-CD2 3.28Å; K536-F540 WeakPolarHBondContact O-CG 3.47Å; K536-F540 PolarHBondContact O-N 3Å; S537-F540 PolarHBondContact O-N 2.96Å; S537-F540 VanDerWaalsContact O-N 3.15Å; C538-F540 VanDerWaalsContact C-N 3.33Å; C538-F540 PolarHBondContact O-N 3.47Å; F540-A544 WeakPolarHBondContact O-CB 3.29Å; F540-A544 PolarHBondContact O-N 3.37Å
541	L	92.6	Very high	90.7	Very high	19 Å²	19	16.1 Å²	16.1	10%	0.099	9%	0.085	C	C	.	.	H	α-helix	trans	-65.8	-46.1	172	-70.4	174.5	0	0	0	111.5	Y215 I219 L238 N242 S537 C538 Y539 S543 A544 W545	Y215-L541 HydrophobicContact CD2-CD2 3.98Å; Y215-L541 HydrophobicContact CG-CD2 4.21Å; I219-L541 HydrophobicContact CD1-CD1 3.73Å; I219-L541 HydrophobicContact CD1-CG 4.25Å; L238-L541 HydrophobicContact CD2-CD2 3.79Å; L238-L541 HydrophobicContact CD2-CG 4.02Å; N242-L541 HydrophobicContact CB-CD2 4.25Å; N242-L541 VanDerWaalsContact ND2-CA 3.34Å; N242-L541 WeakPolarHBondContact ND2-CA 3.24Å; N242-L541 PolarHBondContact ND2-O 3.3Å; S537-L541 PolarHBondContact O-N 3.3Å; C538-L541 WeakPolarHBondContact O-CB 3.49Å; C538-L541 PolarHBondContact O-N 3.48Å; Y539-L541 VanDerWaalsContact C-N 3.3Å; Y539-L541 PolarHBondContact O-N 2.92Å; L541-S543 VanDerWaalsContact C-N 3.33Å; L541-S543 PolarHBondContact O-N 3.14Å; L541-A544 PolarHBondContact O-N 3.44Å; L541-W545 WeakPolarHBondContact O-CB 3.39Å; L541-W545 PolarHBondContact O-N 2.82Å
542	V	91.8	Very high	90	Very high	23 Å²	23	15.1 Å²	15.1	14%	0.139	8%	0.076	C	C	.	.	H	α-helix	trans	-66.6	-38.5	176.4	-179	0	0	0	0	111	L427 I430 M431 I434 C538 Y539 W545 Q546	L427-V542 HydrophobicContact CB-CG1 3.8Å; L427-V542 HydrophobicContact CD1-CG1 4.41Å; I430-V542 HydrophobicContact CB-CG1 4.38Å; I430-V542 HydrophobicContact CG2-CG1 4.19Å; I430-V542 HydrophobicContact CG2-CG2 4.31Å; M431-V542 HydrophobicContact CG-CB 4.16Å; M431-V542 HydrophobicContact CG-CG1 3.57Å; M431-V542 HydrophobicContact SD-CG1 4.46Å; I434-V542 HydrophobicContact CD1-CG2 4Å; C538-V542 WeakPolarHBondContact O-CG2 3.35Å; C538-V542 PolarHBondContact O-N 3.41Å; Y539-V542 PolarHBondContact O-N 3.46Å; V542-W545 WeakPolarHBondContact O-CB 3.49Å; V542-W545 PolarHBondContact O-N 2.72Å; V542-Q546 PolarHBondContact O-N 2.85Å
543	S	92.8	Very high	89	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176	-178.7	0	0	0	0	112.4	K496 Q500 Y539 L541 W545 Q546 I547	K496-S543 WeakPolarHBondContact CE-OG 3.38Å; Q500-S543 PolarHBondContact OE1-OG 3.41Å; Y539-S543 VanDerWaalsContact O-CB 3.23Å; Y539-S543 WeakPolarHBondContact O-CB 3.38Å; Y539-S543 PolarHBondContact O-N 2.84Å; L541-S543 VanDerWaalsContact C-N 3.33Å; L541-S543 PolarHBondContact O-N 3.14Å; S543-W545 VanDerWaalsContact C-N 3.26Å; S543-W545 PolarHBondContact O-N 3.48Å; S543-Q546 WeakPolarHBondContact O-CB 3.4Å; S543-Q546 PolarHBondContact O-N 3.48Å; S543-I547 WeakPolarHBondContact O-CG1 3.25Å; S543-I547 PolarHBondContact O-N 3.28Å
544	A	90.9	Very high	87.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-34.3	175.5	0	0	0	0	0	111.5	N242 L243 F540 L541 I547 R548	N242-A544 HydrophobicContact CB-CB 4.05Å; N242-A544 WeakPolarHBondContact ND2-CB 3.17Å; L243-A544 HydrophobicContact CD2-CB 3.69Å; L243-A544 HydrophobicContact CG-CB 3.99Å; F540-A544 WeakPolarHBondContact O-CB 3.29Å; F540-A544 PolarHBondContact O-N 3.37Å; L541-A544 PolarHBondContact O-N 3.44Å; A544-I547 PolarHBondContact O-N 3.09Å; A544-R548 WeakPolarHBondContact O-CB 3.32Å; A544-R548 PolarHBondContact O-N 3.37Å
545	W	87.8	Confident	86.5	Confident	69 Å²	69	26.5 Å²	26.5	26%	0.261	13%	0.131	S	C	.	.	H	α-helix	trans	-63.9	-41.7	172.8	-174.4	17	0	0	0	111.7	L427 L541 V542 S543 R548 N549	L427-W545 HydrophobicContact CD1-CB 3.91Å; L427-W545 HydrophobicContact CD1-CD2 3.31Å; L427-W545 HydrophobicContact CD1-CE3 3.36Å; L427-W545 HydrophobicContact CD1-CG 3.57Å; L427-W545 HydrophobicContact CD1-CZ2 4.47Å; L427-W545 HydrophobicContact CD1-CZ3 3.99Å; L427-W545 HydrophobicContact CD2-CD2 4.32Å; L427-W545 HydrophobicContact CD2-CE3 3.69Å; L427-W545 HydrophobicContact CD2-CH2 3.84Å; L427-W545 HydrophobicContact CD2-CZ2 4.42Å; L427-W545 HydrophobicContact CD2-CZ3 3.41Å; L427-W545 VanDerWaalsContact CD2-CZ3 3.41Å; L427-W545 HydrophobicContact CG-CD2 4.45Å; L427-W545 HydrophobicContact CG-CE3 4.17Å; L427-W545 HydrophobicContact CG-CZ3 4.36Å; L541-W545 WeakPolarHBondContact O-CB 3.39Å; L541-W545 PolarHBondContact O-N 2.82Å; V542-W545 WeakPolarHBondContact O-CB 3.49Å; V542-W545 PolarHBondContact O-N 2.72Å; S543-W545 VanDerWaalsContact C-N 3.26Å; S543-W545 PolarHBondContact O-N 3.48Å; W545-R548 PolarHBondContact O-N 2.96Å; W545-N549 PolarHBondContact NE1-ND2 3.33Å; W545-N549 WeakPolarHBondContact O-CB 3.44Å; W545-N549 PolarHBondContact O-N 3.31Å
546	Q	89.5	Confident	84.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-44.8	173.2	-174.4	65.8	23.5	0	0	111.8	R425 L427 M431 V542 S543 R548 N549 G550 Y551	R425-Q546 PolarHBondContact O-OE1 3.42Å; R425-Q546 VanDerWaalsContact O-OE1 3.11Å; L427-Q546 HydrophobicContact CB-CB 4.47Å; L427-Q546 HydrophobicContact CD1-CB 4.3Å; M431-Q546 HydrophobicContact SD-CB 4.08Å; M431-Q546 HydrophobicContact SD-CG 4.4Å; V542-Q546 PolarHBondContact O-N 2.85Å; S543-Q546 WeakPolarHBondContact O-CB 3.4Å; S543-Q546 PolarHBondContact O-N 3.48Å; Q546-R548 VanDerWaalsContact C-N 3.32Å; Q546-R548 PolarHBondContact O-N 2.95Å; Q546-N549 PolarHBondContact O-N 3.22Å; Q546-G550 PolarHBondContact NE2-O 3.47Å; Q546-G550 VanDerWaalsContact NE2-O 3.15Å; Q546-G550 WeakPolarHBondContact O-CA 3.39Å; Q546-G550 PolarHBondContact O-N 3.26Å; Q546-Y551 HydrophobicContact CG-CD1 4.27Å; Q546-Y551 HydrophobicContact CG-CE1 3.76Å
547	I	89.4	Confident	83	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-43.1	177.4	-67	171.7	0	0	0	110.8	L243 L416 V493 K496 L497 Q500 S543 A544 N549 G550	L243-I547 HydrophobicContact CD2-CB 4.08Å; L243-I547 HydrophobicContact CD2-CD1 4.24Å; L243-I547 HydrophobicContact CD2-CG2 3.91Å; L416-I547 HydrophobicContact CD1-CG2 4.21Å; L416-I547 HydrophobicContact CD2-CG2 4.35Å; L416-I547 HydrophobicContact CG-CG2 4.5Å; V493-I547 HydrophobicContact CG1-CG2 3.83Å; K496-I547 HydrophobicContact CB-CG1 4.3Å; K496-I547 HydrophobicContact CG-CD1 3.96Å; K496-I547 HydrophobicContact CG-CG1 3.7Å; L497-I547 HydrophobicContact CB-CD1 4.33Å; L497-I547 HydrophobicContact CD1-CD1 4.24Å; Q500-I547 HydrophobicContact CB-CD1 4.19Å; S543-I547 WeakPolarHBondContact O-CG1 3.25Å; S543-I547 PolarHBondContact O-N 3.28Å; A544-I547 PolarHBondContact O-N 3.09Å; I547-N549 PolarHBondContact O-N 2.94Å; I547-G550 PolarHBondContact O-N 3.47Å
548	R	85.3	Confident	81.6	Confident	42 Å²	42	29.7 Å²	29.7	16%	0.158	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-42.1	178.5	-178	-179.4	70.2	-173.5	-2.8	112.4	S244 N245 A544 W545 Q546	S244-R548 VanDerWaalsContact O-CD 3.32Å; S244-R548 WeakPolarHBondContact O-CD 3.48Å; N245-R548 HydrophobicContact CB-CG 3.92Å; N245-R548 PolarHBondContact ND2-O 3.39Å; A544-R548 WeakPolarHBondContact O-CB 3.32Å; A544-R548 PolarHBondContact O-N 3.37Å; W545-R548 PolarHBondContact O-N 2.96Å; Q546-R548 VanDerWaalsContact C-N 3.32Å; Q546-R548 PolarHBondContact O-N 2.95Å
549	N	81.7	Confident	80.2	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-82.4	-18.4	-177.2	-78.7	16.9	0	0	0	113.1	R422 Y423 W545 Q546 I547	R422-N549 VanDerWaalsContact CD-O 3.23Å; R422-N549 WeakPolarHBondContact CD-O 3.38Å; R422-N549 WeakPolarHBondContact CG-O 3.5Å; Y423-N549 WeakPolarHBondContact O-CB 3.41Å; Y423-N549 PolarHBondContact O-ND2 2.95Å; Y423-N549 VanDerWaalsContact O-ND2 3.1Å; W545-N549 PolarHBondContact NE1-ND2 3.33Å; W545-N549 WeakPolarHBondContact O-CB 3.44Å; W545-N549 PolarHBondContact O-N 3.31Å; Q546-N549 PolarHBondContact O-N 3.22Å; I547-N549 PolarHBondContact O-N 2.94Å
550	G	82.8	Confident	79	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	18%	0.179	C	C	.	.			trans	72.5	177.2	-171.7	0	0	0	0	0	112.8	Q546 I547	Q546-G550 PolarHBondContact NE2-O 3.47Å; Q546-G550 VanDerWaalsContact NE2-O 3.15Å; Q546-G550 WeakPolarHBondContact O-CA 3.39Å; Q546-G550 PolarHBondContact O-N 3.26Å; I547-G550 PolarHBondContact O-N 3.47Å
551	Y	83.3	Confident	77.9	Confident	16 Å²	16	34.6 Å²	34.6	6%	0.063	18%	0.18	C	C	.	.			trans	-90.9	145.1	175	-65	-74.5	0	0	0	110.8	Y488 K491 V493 K496 Q546	Y488-Y551 AromaticContact CD2-CD1 3.76Å; Y488-Y551 HydrophobicContact CD2-CD1 3.76Å; Y488-Y551 AromaticContact CD2-CE1 3.67Å; Y488-Y551 HydrophobicContact CD2-CE1 3.67Å; Y488-Y551 HydrophobicContact CE2-CD1 4.23Å; Y488-Y551 HydrophobicContact CE2-CE1 4.5Å; Y488-Y551 HydrophobicContact CG-CE1 4.47Å; K491-Y551 HydrophobicContact CB-CD2 4.39Å; K491-Y551 HydrophobicContact CB-CG 4.47Å; V493-Y551 HydrophobicContact CG2-CD2 3.77Å; V493-Y551 HydrophobicContact CG2-CE2 4.04Å; K496-Y551 HydrophobicContact CB-CE2 4.48Å; K496-Y551 WeakPolarHBondContact CB-OH 3.25Å; K496-Y551 WeakPolarHBondContact CD-OH 3.31Å; K496-Y551 WeakPolarHBondContact CG-OH 3.49Å; Q546-Y551 HydrophobicContact CG-CD1 4.27Å; Q546-Y551 HydrophobicContact CG-CE1 3.76Å
552	P	79.1	Confident	76.8	Confident	17 Å²	17	38.3 Å²	38.3	11%	0.11	20%	0.196	C	C	.	.			trans	-65.8	152.3	170.8	30.6	-36	0	0	0	111.7	I424 D426 L554	I424-P552 HydrophobicContact CG2-CB 3.57Å; D426-P552 HydrophobicContact CB-CG 4.13Å; P552-L554 VanDerWaalsContact C-N 3.29Å
553	E	70.5	Confident	76	Confident	168 Å²	168	40 Å²	40	79%	0.785	21%	0.21	S	C	*	.	S	Bend	trans	-67.3	-34.2	173.7	-67.7	-175.5	175	0	0	111.3	K491	K491-E553 PolarHBondContact NZ-O 3.02Å
554	L	70.6	Confident	75.5	Confident	88 Å²	88	42.3 Å²	42.3	46%	0.461	22%	0.219	S	C	.	.			trans	-102.1	102.5	173.7	-159.8	81.4	0	0	0	109.3	P552 I556 L999 E1002	P552-L554 VanDerWaalsContact C-N 3.29Å; L554-I556 HydrophobicContact CD1-CD1 3.49Å; L554-I556 VanDerWaalsContact CD1-CD1 3.49Å; L554-I556 HydrophobicContact CG-CB 4.12Å; L554-I556 HydrophobicContact CG-CD1 3.81Å; L554-I556 HydrophobicContact CG-CG1 4.37Å; L554-I556 PolarHBondContact O-N 2.91Å; L554-L999 HydrophobicContact CD1-CB 4.45Å; L554-L999 HydrophobicContact CD1-CG 4.37Å; L554-E1002 HydrophobicContact CD1-CB 4.29Å; L554-E1002 HydrophobicContact CD1-CG 4.32Å
555	C	63.1	Low	75	Confident	15 Å²	15	43.8 Å²	43.8	10%	0.101	23%	0.234	C	C	.	.			trans	-84.6	20.9	176.8	-78.1	0	0	0	0	112.9	Y488 K491 E1002	Y488-C555 HydrophobicContact CE1-CB 4.13Å; Y488-C555 PolarHBondContact OH-O 3.01Å; K491-C555 VanDerWaalsContact CE-SG 3.52Å; C555-E1002 PolarHBondContact N-OE1 2.95Å
556	I	58.7	Low	74.6	Confident	46 Å²	46	44.2 Å²	44.2	24%	0.236	24%	0.24	C	C	.	.			trans	-102.5	113.1	-166.1	-62.5	150.2	0	0	0	110.1	L554 Y998 E1002	L554-I556 HydrophobicContact CD1-CD1 3.49Å; L554-I556 VanDerWaalsContact CD1-CD1 3.49Å; L554-I556 HydrophobicContact CG-CB 4.12Å; L554-I556 HydrophobicContact CG-CD1 3.81Å; L554-I556 HydrophobicContact CG-CG1 4.37Å; L554-I556 PolarHBondContact O-N 2.91Å; I556-Y998 VanDerWaalsContact CD1-CB 3.43Å; I556-Y998 WeakPolarHBondContact CD1-O 3.33Å; I556-Y998 HydrophobicContact CG1-CG 4.44Å; I556-Y998 VanDerWaalsContact CG2-CB 3.41Å; I556-Y998 HydrophobicContact CG2-CD1 4.4Å; I556-Y998 HydrophobicContact CG2-CD2 3.62Å; I556-Y998 HydrophobicContact CG2-CE2 4.48Å; I556-Y998 HydrophobicContact CG2-CG 3.61Å; I556-E1002 HydrophobicContact CD1-CB 4.22Å; I556-E1002 HydrophobicContact CD1-CG 3.31Å; I556-E1002 HydrophobicContact CG1-CG 4.03Å
557	G	57.7	Low	74.3	Confident	35 Å²	35	49.3 Å²	49.3	36%	0.361	27%	0.271	S	S	.	.			trans	152.4	104.7	172.8	0	0	0	0	0	108.2	L559	G557-L559 PolarHBondContact O-N 3.43Å
558	N	63.4	Low	74.1	Confident	33 Å²	33	50.5 Å²	50.5	18%	0.176	28%	0.277	C	S	.	.			trans	-58.5	134.4	164.6	-177.8	-1.8	0	0	0	106.4	L560 T561 H562 R585	N558-L560 PolarHBondContact O-N 2.75Å; N558-L560 VanDerWaalsContact O-N 3.08Å; N558-L560 PolarHBondContact OD1-N 2.74Å; N558-T561 HydrophobicContact CB-CG2 3.9Å; N558-T561 WeakPolarHBondContact CB-OG1 3.15Å; N558-T561 PolarHBondContact N-OG1 2.69Å; N558-T561 CarbonylContact O-C 3.51Å; N558-T561 WeakPolarHBondContact O-CA 3.43Å; N558-T561 PolarHBondContact O-N 3.28Å; N558-T561 PolarHBondContact O-OG1 3.48Å; N558-T561 VanDerWaalsContact O-OG1 3.07Å; N558-H562 PolarHBondContact O-N 2.93Å; N558-R585 PolarHBondContact ND2-NH1 2.97Å
559	L	64.8	Low	74.1	Confident	99 Å²	99	50 Å²	50	52%	0.518	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-51.3	-37.1	176.2	176.4	74.4	0	0	0	111	P429 G557 T561	P429-L559 HydrophobicContact CB-CB 3.42Å; P429-L559 VanDerWaalsContact CB-CB 3.42Å; P429-L559 HydrophobicContact CB-CD1 4.24Å; P429-L559 HydrophobicContact CB-CD2 3.7Å; P429-L559 HydrophobicContact CB-CG 3.97Å; P429-L559 HydrophobicContact CG-CB 3.78Å; G557-L559 PolarHBondContact O-N 3.43Å; L559-T561 PolarHBondContact O-N 2.88Å
560	L	67.9	Low	74.5	Confident	39 Å²	39	53.9 Å²	53.9	20%	0.204	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.9	-18.5	177.8	-57.6	179.6	0	0	0	113.3	N558 N568 A571 F572 F575 F613	N558-L560 PolarHBondContact O-N 2.75Å; N558-L560 VanDerWaalsContact O-N 3.08Å; N558-L560 PolarHBondContact OD1-N 2.74Å; L560-N568 WeakPolarHBondContact O-CB 3.41Å; L560-N568 PolarHBondContact O-ND2 2.92Å; L560-A571 HydrophobicContact CD2-CB 3.7Å; L560-F572 HydrophobicContact CB-CD2 4.43Å; L560-F575 HydrophobicContact CD1-CB 3.78Å; L560-F575 HydrophobicContact CD1-CD2 4.22Å; L560-F575 HydrophobicContact CD1-CG 4.1Å; L560-F613 WeakPolarHBondContact O-CZ 3.48Å
561	T	71.6	Confident	74.7	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.031	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-110.1	2.4	-176.1	68.9	0	0	0	0	114.4	N558 L559 S563 F572 Y609 F613	N558-T561 HydrophobicContact CB-CG2 3.9Å; N558-T561 WeakPolarHBondContact CB-OG1 3.15Å; N558-T561 PolarHBondContact N-OG1 2.69Å; N558-T561 CarbonylContact O-C 3.51Å; N558-T561 WeakPolarHBondContact O-CA 3.43Å; N558-T561 PolarHBondContact O-N 3.28Å; N558-T561 PolarHBondContact O-OG1 3.48Å; N558-T561 VanDerWaalsContact O-OG1 3.07Å; L559-T561 PolarHBondContact O-N 2.88Å; T561-S563 VanDerWaalsContact C-N 3.33Å; T561-S563 PolarHBondContact O-N 2.9Å; T561-F572 HydrophobicContact CG2-CD2 3.92Å; T561-F572 HydrophobicContact CG2-CE2 3.85Å; T561-Y609 WeakPolarHBondContact CB-OH 3.14Å; T561-Y609 HydrophobicContact CG2-CE1 4.12Å; T561-Y609 PolarHBondContact OG1-OH 3.03Å; T561-F613 VanDerWaalsContact CA-CE2 3.41Å; T561-F613 VanDerWaalsContact CB-CE2 3.47Å; T561-F613 HydrophobicContact CG2-CD1 3.94Å; T561-F613 HydrophobicContact CG2-CD2 3.88Å; T561-F613 HydrophobicContact CG2-CE1 3.82Å; T561-F613 HydrophobicContact CG2-CE2 3.76Å; T561-F613 HydrophobicContact CG2-CG 3.98Å; T561-F613 HydrophobicContact CG2-CZ 3.73Å
562	H	70.1	Confident	75	Confident	96 Å²	96	55 Å²	55	44%	0.444	31%	0.308	S	S	.	.	S	Bend	trans	-70.9	-27.9	178.1	-166.9	-84.4	0	0	0	113.1	N558	N558-H562 PolarHBondContact O-N 2.93Å
563	S	75.2	Confident	75.5	Confident	60 Å²	60	58.7 Å²	58.7	42%	0.42	32%	0.323	S	S	.	.	S	Bend	trans	-128	153.8	173	67.4	0	0	0	0	112.1	T561 N568	T561-S563 VanDerWaalsContact C-N 3.33Å; T561-S563 PolarHBondContact O-N 2.9Å; S563-N568 PolarHBondContact N-ND2 3Å; S563-N568 WeakPolarHBondContact O-CB 3.3Å; S563-N568 PolarHBondContact O-ND2 2.83Å; S563-N568 PolarHBondContact OG-ND2 2.99Å
564	Y	82.8	Confident	76.4	Confident	48 Å²	48	54.5 Å²	54.5	19%	0.188	31%	0.308	C	S	.	.			trans	-99.8	28.7	-172.3	-54.3	-71.8	0	0	0	112.8	F613 K616 Q620 L991	Y564-F613 HydrophobicContact CD1-CD2 4.04Å; Y564-F613 AromaticContact CD1-CE2 3.64Å; Y564-F613 HydrophobicContact CD1-CE2 3.64Å; Y564-F613 AromaticContact CE1-CD2 3.84Å; Y564-F613 HydrophobicContact CE1-CD2 3.84Å; Y564-F613 AromaticContact CE1-CE2 3.72Å; Y564-F613 HydrophobicContact CE1-CE2 3.72Å; Y564-K616 HydrophobicContact CD1-CB 4.23Å; Y564-K616 HydrophobicContact CD1-CG 3.4Å; Y564-K616 VanDerWaalsContact CD1-CG 3.4Å; Y564-K616 HydrophobicContact CD2-CG 4.45Å; Y564-K616 HydrophobicContact CE1-CG 3.75Å; Y564-K616 HydrophobicContact CG-CG 3.8Å; Y564-Q620 VanDerWaalsContact O-CB 3.27Å; Y564-Q620 WeakPolarHBondContact O-CB 3.35Å; Y564-Q620 VanDerWaalsContact O-CG 3.29Å; Y564-Q620 WeakPolarHBondContact O-CG 3.46Å; Y564-L991 HydrophobicContact CE1-CD2 3.64Å; Y564-L991 WeakPolarHBondContact OH-CD2 3.45Å
565	G	80	Confident	77.3	Confident	31 Å²	31	51.3 Å²	51.3	32%	0.32	29%	0.291	S	S	.	.	S	Bend	trans	-80.2	167	-177.6	0	0	0	0	0	114.9	T567 N568 M569	G565-T567 VanDerWaalsContact C-N 3.32Å; G565-T567 PolarHBondContact O-N 2.66Å; G565-N568 PolarHBondContact O-N 3.46Å; G565-M569 PolarHBondContact O-N 3.42Å
566	M	79.6	Confident	78.5	Confident	78 Å²	78	53.4 Å²	53.4	38%	0.384	30%	0.3	S	S	.	.	H	α-helix	trans	-57.2	-43.1	176.8	-174.3	179.4	76.3	0	0	112.5	N568 M569 I570 F621	M566-N568 VanDerWaalsContact C-N 3.29Å; M566-N568 PolarHBondContact O-N 3.45Å; M566-M569 WeakPolarHBondContact O-CB 3.5Å; M566-M569 PolarHBondContact O-N 3.33Å; M566-I570 HydrophobicContact CG-CD1 4.07Å; M566-I570 WeakPolarHBondContact O-CG1 3.38Å; M566-I570 PolarHBondContact O-N 3.45Å; M566-F621 HydrophobicContact CB-CD2 4.01Å; M566-F621 HydrophobicContact CG-CD2 4.08Å; M566-F621 HydrophobicContact CG-CE2 4.22Å; M566-F621 HydrophobicContact SD-CD2 4.04Å; M566-F621 HydrophobicContact SD-CE2 3.57Å; M566-F621 VanDerWaalsContact SD-CE2 3.57Å; M566-F621 HydrophobicContact SD-CZ 4.47Å
567	T	81.8	Confident	79.9	Confident	106 Å²	106	57.5 Å²	57.5	65%	0.65	32%	0.322	S	S	*	.	H	α-helix	trans	-60.5	-40.7	179.3	-49.5	0	0	0	0	111.5	G565 I570 A571	G565-T567 VanDerWaalsContact C-N 3.32Å; G565-T567 PolarHBondContact O-N 2.66Å; T567-I570 PolarHBondContact O-N 2.86Å; T567-A571 VanDerWaalsContact O-CB 3.31Å; T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 3.27Å
568	N	85.6	Confident	81.4	Confident	29 Å²	29	59.4 Å²	59.4	16%	0.155	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-38.5	177.9	-76.8	15.3	0	0	0	112	L560 S563 G565 M566 I570 A571 F572	L560-N568 WeakPolarHBondContact O-CB 3.41Å; L560-N568 PolarHBondContact O-ND2 2.92Å; S563-N568 PolarHBondContact N-ND2 3Å; S563-N568 WeakPolarHBondContact O-CB 3.3Å; S563-N568 PolarHBondContact O-ND2 2.83Å; S563-N568 PolarHBondContact OG-ND2 2.99Å; G565-N568 PolarHBondContact O-N 3.46Å; M566-N568 VanDerWaalsContact C-N 3.29Å; M566-N568 PolarHBondContact O-N 3.45Å; N568-I570 VanDerWaalsContact C-N 3.34Å; N568-I570 PolarHBondContact O-N 3.43Å; N568-A571 PolarHBondContact O-N 2.97Å; N568-F572 WeakPolarHBondContact O-CB 3.36Å; N568-F572 PolarHBondContact O-N 3.27Å
569	M	86.4	Confident	82.7	Confident	30 Å²	30	62.5 Å²	62.5	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-47.7	172.5	-169.4	-178.9	61.7	0	0	111.4	G565 M566 K573 C617	G565-M569 PolarHBondContact O-N 3.42Å; M566-M569 WeakPolarHBondContact O-CB 3.5Å; M566-M569 PolarHBondContact O-N 3.33Å; M569-K573 WeakPolarHBondContact O-CB 3.25Å; M569-K573 WeakPolarHBondContact O-CG 3.31Å; M569-K573 PolarHBondContact O-N 3.03Å; M569-C617 HydrophobicContact CB-CB 3.78Å; M569-C617 HydrophobicContact CG-CB 3.82Å; M569-C617 HydrophobicContact SD-CB 4.11Å
570	I	89.7	Confident	83.9	Confident	92 Å²	92	65.6 Å²	65.6	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-48.1	178.9	-65.9	168.6	0	0	0	110.1	M566 T567 N568 F572 K573 V574	M566-I570 HydrophobicContact CG-CD1 4.07Å; M566-I570 WeakPolarHBondContact O-CG1 3.38Å; M566-I570 PolarHBondContact O-N 3.45Å; T567-I570 PolarHBondContact O-N 2.86Å; N568-I570 VanDerWaalsContact C-N 3.34Å; N568-I570 PolarHBondContact O-N 3.43Å; I570-F572 VanDerWaalsContact C-N 3.33Å; I570-F572 PolarHBondContact O-N 3.01Å; I570-K573 PolarHBondContact O-N 3.29Å; I570-V574 HydrophobicContact CG2-CG2 4.44Å; I570-V574 WeakPolarHBondContact O-CG2 3.08Å; I570-V574 PolarHBondContact O-N 2.99Å
571	A	86.9	Confident	84.9	Confident	34 Å²	34	65.9 Å²	65.9	28%	0.281	36%	0.356	S	S	.	.	H	α-helix	trans	-62.4	-39.1	-179.9	0	0	0	0	0	112.3	L560 T567 N568 V574 F575	L560-A571 HydrophobicContact CD2-CB 3.7Å; T567-A571 VanDerWaalsContact O-CB 3.31Å; T567-A571 WeakPolarHBondContact O-CB 3.47Å; T567-A571 PolarHBondContact O-N 3.27Å; N568-A571 PolarHBondContact O-N 2.97Å; A571-V574 PolarHBondContact O-N 2.82Å; A571-F575 WeakPolarHBondContact O-CB 3.48Å; A571-F575 PolarHBondContact O-N 3.07Å
572	F	89.8	Confident	85.8	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-67.1	-40.5	175	-172	-104.5	0	0	0	112.2	L560 T561 N568 I570 F575 M576 A610 F613	L560-F572 HydrophobicContact CB-CD2 4.43Å; T561-F572 HydrophobicContact CG2-CD2 3.92Å; T561-F572 HydrophobicContact CG2-CE2 3.85Å; N568-F572 WeakPolarHBondContact O-CB 3.36Å; N568-F572 PolarHBondContact O-N 3.27Å; I570-F572 VanDerWaalsContact C-N 3.33Å; I570-F572 PolarHBondContact O-N 3.01Å; F572-F575 HydrophobicContact CD2-CD1 4.48Å; F572-F575 HydrophobicContact CE2-CD1 4.48Å; F572-F575 WeakPolarHBondContact O-CB 3.38Å; F572-F575 PolarHBondContact O-N 3.36Å; F572-M576 HydrophobicContact CD1-CG 4.4Å; F572-M576 HydrophobicContact CE1-CE 3.77Å; F572-M576 HydrophobicContact CE1-CG 4.13Å; F572-M576 HydrophobicContact CE2-CE 3.74Å; F572-M576 HydrophobicContact CZ-CE 3.2Å; F572-M576 HydrophobicContact CZ-CG 4.38Å; F572-M576 WeakPolarHBondContact O-CG 3.38Å; F572-M576 PolarHBondContact O-N 2.97Å; F572-A610 HydrophobicContact CE1-CB 3.9Å; F572-A610 HydrophobicContact CZ-CB 3.69Å; F572-F613 HydrophobicContact CB-CD1 4.44Å; F572-F613 HydrophobicContact CB-CE1 3.87Å; F572-F613 AromaticContact CD1-CD1 3.65Å; F572-F613 HydrophobicContact CD1-CD1 3.65Å; F572-F613 AromaticContact CD1-CE1 3.96Å; F572-F613 HydrophobicContact CD1-CE1 3.96Å; F572-F613 HydrophobicContact CD2-CD1 4.19Å; F572-F613 HydrophobicContact CD2-CE1 4.13Å; F572-F613 AromaticContact CE1-CD1 3.81Å; F572-F613 HydrophobicContact CE1-CD1 3.81Å; F572-F613 HydrophobicContact CE2-CD1 4.34Å; F572-F613 AromaticContact CG-CD1 3.84Å; F572-F613 HydrophobicContact CG-CD1 3.84Å; F572-F613 AromaticContact CG-CE1 3.72Å; F572-F613 HydrophobicContact CG-CE1 3.72Å; F572-F613 HydrophobicContact CZ-CD1 4.14Å
573	K	89	Confident	86.8	Confident	95 Å²	95	66.4 Å²	66.4	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-39.7	172.3	-76	-172.8	-179.1	-169.7	0	112	M569 I570 M576 N577 N614	M569-K573 WeakPolarHBondContact O-CB 3.25Å; M569-K573 WeakPolarHBondContact O-CG 3.31Å; M569-K573 PolarHBondContact O-N 3.03Å; I570-K573 PolarHBondContact O-N 3.29Å; K573-M576 PolarHBondContact O-N 3.42Å; K573-N577 PolarHBondContact O-N 3.37Å; K573-N577 VanDerWaalsContact O-N 3.08Å; K573-N577 PolarHBondContact O-ND2 3.22Å; K573-N614 WeakPolarHBondContact CE-OD1 3.4Å
574	V	89.9	Confident	87.6	Confident	80 Å²	80	67.5 Å²	67.5	49%	0.485	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-47.9	174	170.6	0	0	0	0	109.8	I570 A571 M576 N577 I578	I570-V574 HydrophobicContact CG2-CG2 4.44Å; I570-V574 WeakPolarHBondContact O-CG2 3.08Å; I570-V574 PolarHBondContact O-N 2.99Å; A571-V574 PolarHBondContact O-N 2.82Å; V574-M576 VanDerWaalsContact C-N 3.31Å; V574-M576 PolarHBondContact O-N 3.02Å; V574-N577 PolarHBondContact O-N 3.47Å; V574-I578 HydrophobicContact CG1-CD1 4.36Å; V574-I578 WeakPolarHBondContact O-CG1 3.38Å; V574-I578 PolarHBondContact O-N 3.12Å; V574-I578 VanDerWaalsContact O-N 3.16Å
575	F	89	Confident	88	Confident	20 Å²	20	67.4 Å²	67.4	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-52.7	-46	175.2	166.6	-86.1	0	0	0	112.3	L560 A571 F572 N577 I578 L581 F582	L560-F575 HydrophobicContact CD1-CB 3.78Å; L560-F575 HydrophobicContact CD1-CD2 4.22Å; L560-F575 HydrophobicContact CD1-CG 4.1Å; A571-F575 WeakPolarHBondContact O-CB 3.48Å; A571-F575 PolarHBondContact O-N 3.07Å; F572-F575 HydrophobicContact CD2-CD1 4.48Å; F572-F575 HydrophobicContact CE2-CD1 4.48Å; F572-F575 WeakPolarHBondContact O-CB 3.38Å; F572-F575 PolarHBondContact O-N 3.36Å; F575-N577 VanDerWaalsContact C-N 3.31Å; F575-N577 PolarHBondContact O-N 3.36Å; F575-I578 PolarHBondContact O-N 3.22Å; F575-L581 HydrophobicContact CD2-CD2 3.28Å; F575-L581 HydrophobicContact CE2-CD2 2.96Å; F575-L581 HydrophobicContact CE2-CG 4.47Å; F575-L581 HydrophobicContact CG-CD2 4.22Å; F575-L581 HydrophobicContact CZ-CD2 3.64Å; F575-F582 HydrophobicContact CE1-CB 4.41Å; F575-F582 HydrophobicContact CE1-CD2 4.12Å
576	M	88.1	Confident	88.5	Confident	59 Å²	59	65.9 Å²	65.9	29%	0.291	34%	0.343	S	S	.	.	H	α-helix	trans	-70.4	-22.5	178.7	-71.2	-61.9	178.5	0	0	114.3	F572 K573 V574 F582 A610	F572-M576 HydrophobicContact CD1-CG 4.4Å; F572-M576 HydrophobicContact CE1-CE 3.77Å; F572-M576 HydrophobicContact CE1-CG 4.13Å; F572-M576 HydrophobicContact CE2-CE 3.74Å; F572-M576 HydrophobicContact CZ-CE 3.2Å; F572-M576 HydrophobicContact CZ-CG 4.38Å; F572-M576 WeakPolarHBondContact O-CG 3.38Å; F572-M576 PolarHBondContact O-N 2.97Å; K573-M576 PolarHBondContact O-N 3.42Å; V574-M576 VanDerWaalsContact C-N 3.31Å; V574-M576 PolarHBondContact O-N 3.02Å; M576-F582 HydrophobicContact CE-CD2 3.54Å; M576-F582 HydrophobicContact CE-CE2 3.65Å; M576-F582 HydrophobicContact CE-CG 4.39Å; M576-F582 HydrophobicContact SD-CB 4.05Å; M576-F582 HydrophobicContact SD-CD1 4.49Å; M576-F582 HydrophobicContact SD-CD2 3.5Å; M576-F582 VanDerWaalsContact SD-CD2 3.5Å; M576-F582 HydrophobicContact SD-CE2 4.05Å; M576-F582 HydrophobicContact SD-CG 3.75Å; M576-A610 HydrophobicContact CE-CB 3.49Å; M576-A610 VanDerWaalsContact CE-CB 3.49Å
577	N	88.6	Confident	89.2	Confident	133 Å²	133	63.8 Å²	63.8	71%	0.711	34%	0.338	S	S	*	.	H	α-helix	trans	-87.9	-12.9	177.1	-77.8	-63.9	0	0	0	113.1	K573 V574 F575 P579	K573-N577 PolarHBondContact O-N 3.37Å; K573-N577 VanDerWaalsContact O-N 3.08Å; K573-N577 PolarHBondContact O-ND2 3.22Å; V574-N577 PolarHBondContact O-N 3.47Å; F575-N577 VanDerWaalsContact C-N 3.31Å; F575-N577 PolarHBondContact O-N 3.36Å; N577-P579 WeakPolarHBondContact O-CD 3.34Å
578	I	89.9	Confident	89.7	Confident	74 Å²	74	59.5 Å²	59.5	38%	0.379	31%	0.311	S	S	.	.	S	Bend	trans	-73.1	120.5	176.6	-65.7	165.9	0	0	0	108.5	V574 F575 L581	V574-I578 HydrophobicContact CG1-CD1 4.36Å; V574-I578 WeakPolarHBondContact O-CG1 3.38Å; V574-I578 PolarHBondContact O-N 3.12Å; V574-I578 VanDerWaalsContact O-N 3.16Å; F575-I578 PolarHBondContact O-N 3.22Å; I578-L581 HydrophobicContact CB-CB 4.1Å; I578-L581 HydrophobicContact CB-CD1 4.25Å; I578-L581 HydrophobicContact CD1-CD1 4.18Å; I578-L581 HydrophobicContact CG2-CB 3.78Å; I578-L581 HydrophobicContact CG2-CD1 3.77Å; I578-L581 HydrophobicContact CG2-CG 4.42Å; I578-L581 PolarHBondContact O-N 3.2Å
579	P	89.4	Confident	89.9	Confident	98 Å²	98	58.6 Å²	58.6	64%	0.636	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	139.7	-176.7	-23.7	33.3	0	0	0	112.6	N577 L581	N577-P579 WeakPolarHBondContact O-CD 3.34Å; P579-L581 PolarHBondContact O-N 3.06Å
580	F	89.7	Confident	90.2	Very high	165 Å²	165	61.5 Å²	61.5	72%	0.724	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-10.4	176.4	-49.9	-69.2	0	0	0	116.3	E583 L584	F580-E583 WeakPolarHBondContact CA-OE2 3.37Å; F580-E583 PolarHBondContact N-OE2 2.86Å; F580-L584 WeakPolarHBondContact O-CB 3.34Å; F580-L584 PolarHBondContact O-N 3.44Å
581	L	90	Very high	90.4	Very high	44 Å²	44	60.9 Å²	60.9	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-74.3	-41.8	-171.3	-167.7	153	0	0	0	111.5	F575 I578 P579 R585	F575-L581 HydrophobicContact CD2-CD2 3.28Å; F575-L581 HydrophobicContact CE2-CD2 2.96Å; F575-L581 HydrophobicContact CE2-CG 4.47Å; F575-L581 HydrophobicContact CG-CD2 4.22Å; F575-L581 HydrophobicContact CZ-CD2 3.64Å; I578-L581 HydrophobicContact CB-CB 4.1Å; I578-L581 HydrophobicContact CB-CD1 4.25Å; I578-L581 HydrophobicContact CD1-CD1 4.18Å; I578-L581 HydrophobicContact CG2-CB 3.78Å; I578-L581 HydrophobicContact CG2-CD1 3.77Å; I578-L581 HydrophobicContact CG2-CG 4.42Å; I578-L581 PolarHBondContact O-N 3.2Å; P579-L581 PolarHBondContact O-N 3.06Å; L581-R585 VanDerWaalsContact O-CB 3.29Å; L581-R585 WeakPolarHBondContact O-CB 3.26Å; L581-R585 PolarHBondContact O-N 2.9Å
582	F	90.1	Very high	90.6	Very high	18 Å²	18	62.9 Å²	62.9	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-47.4	173.8	172.9	-109.9	0	0	0	110.8	F575 M576 R585 T586 E606 N607	F575-F582 HydrophobicContact CE1-CB 4.41Å; F575-F582 HydrophobicContact CE1-CD2 4.12Å; M576-F582 HydrophobicContact CE-CD2 3.54Å; M576-F582 HydrophobicContact CE-CE2 3.65Å; M576-F582 HydrophobicContact CE-CG 4.39Å; M576-F582 HydrophobicContact SD-CB 4.05Å; M576-F582 HydrophobicContact SD-CD1 4.49Å; M576-F582 HydrophobicContact SD-CD2 3.5Å; M576-F582 VanDerWaalsContact SD-CD2 3.5Å; M576-F582 HydrophobicContact SD-CE2 4.05Å; M576-F582 HydrophobicContact SD-CG 3.75Å; F582-R585 PolarHBondContact O-N 3.36Å; F582-T586 PolarHBondContact O-N 3.29Å; F582-T586 PolarHBondContact O-OG1 3.49Å; F582-T586 VanDerWaalsContact O-OG1 3.13Å; F582-E606 HydrophobicContact CE2-CB 4.22Å; F582-E606 HydrophobicContact CZ-CB 4.07Å; F582-N607 VanDerWaalsContact CE1-OD1 3.23Å; F582-N607 WeakPolarHBondContact CE1-OD1 3.49Å; F582-N607 VanDerWaalsContact CZ-OD1 3.23Å; F582-N607 WeakPolarHBondContact CZ-OD1 3.32Å
583	E	92.2	Very high	90.5	Very high	95 Å²	95	63.9 Å²	63.9	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-44.7	-176.8	-60.8	82.9	172.4	0	0	112	F580 T586 A587 F603	F580-E583 WeakPolarHBondContact CA-OE2 3.37Å; F580-E583 PolarHBondContact N-OE2 2.86Å; E583-T586 PolarHBondContact O-N 3.09Å; E583-A587 WeakPolarHBondContact O-CB 3.01Å; E583-A587 PolarHBondContact O-N 3.3Å; E583-F603 HydrophobicContact CB-CE1 4.5Å
584	L	91.7	Very high	90.6	Very high	82 Å²	82	62.7 Å²	62.7	43%	0.429	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-42.8	177.5	-174.9	67.8	0	0	0	110.8	F580 A587 I588	F580-L584 WeakPolarHBondContact O-CB 3.34Å; F580-L584 PolarHBondContact O-N 3.44Å; L584-A587 PolarHBondContact O-N 3.06Å; L584-I588 HydrophobicContact CD1-CD1 4.05Å; L584-I588 HydrophobicContact CD1-CG1 4.35Å; L584-I588 HydrophobicContact CD2-CD1 4.35Å; L584-I588 HydrophobicContact CG-CD1 3.72Å; L584-I588 HydrophobicContact CG-CG1 4.38Å; L584-I588 WeakPolarHBondContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CD1 3.38Å; L584-I588 WeakPolarHBondContact O-CG1 3Å; L584-I588 PolarHBondContact O-N 2.87Å
585	R	90.5	Very high	90.7	Very high	46 Å²	46	60.3 Å²	60.3	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-53.6	175.6	177.1	-165.5	164.4	-161.2	-12.6	110.9	N558 L581 F582 A587 I588 D589 E606	N558-R585 PolarHBondContact ND2-NH1 2.97Å; L581-R585 VanDerWaalsContact O-CB 3.29Å; L581-R585 WeakPolarHBondContact O-CB 3.26Å; L581-R585 PolarHBondContact O-N 2.9Å; F582-R585 PolarHBondContact O-N 3.36Å; R585-A587 VanDerWaalsContact C-N 3.32Å; R585-A587 PolarHBondContact O-N 3.48Å; R585-I588 PolarHBondContact O-N 3.12Å; R585-D589 IonicContact NE-OD2 3.84Å; R585-D589 PolarHBondContact NE-OD2 3.23Å; R585-D589 WeakPolarHBondContact O-CB 3.36Å; R585-D589 VanDerWaalsContact O-CG 3.3Å; R585-D589 PolarHBondContact O-N 3.49Å; R585-E606 IonicContact NH2-OE2 3.29Å
586	T	91.4	Very high	90.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-39.2	-176.4	-62.3	0	0	0	0	111.8	F582 E583 D589 W590 F602 F603 E606	F582-T586 PolarHBondContact O-N 3.29Å; F582-T586 PolarHBondContact O-OG1 3.49Å; F582-T586 VanDerWaalsContact O-OG1 3.13Å; E583-T586 PolarHBondContact O-N 3.09Å; T586-D589 PolarHBondContact O-N 3.33Å; T586-W590 WeakPolarHBondContact O-CB 3.41Å; T586-W590 PolarHBondContact O-N 2.77Å; T586-F602 HydrophobicContact CG2-CD1 3.62Å; T586-F602 HydrophobicContact CG2-CE1 3.82Å; T586-F603 HydrophobicContact CG2-CD1 3.52Å; T586-F603 HydrophobicContact CG2-CD2 4.03Å; T586-F603 HydrophobicContact CG2-CE1 3.57Å; T586-F603 HydrophobicContact CG2-CE2 4.07Å; T586-F603 HydrophobicContact CG2-CG 3.75Å; T586-F603 HydrophobicContact CG2-CZ 3.85Å; T586-E606 HydrophobicContact CG2-CB 4.34Å; T586-E606 HydrophobicContact CG2-CG 3.95Å
587	A	93.3	Very high	90.9	Very high	34 Å²	34	58.8 Å²	58.8	28%	0.281	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-41.4	175.9	0	0	0	0	0	112.9	E583 L584 R585 T591 F603	E583-A587 WeakPolarHBondContact O-CB 3.01Å; E583-A587 PolarHBondContact O-N 3.3Å; L584-A587 PolarHBondContact O-N 3.06Å; R585-A587 VanDerWaalsContact C-N 3.32Å; R585-A587 PolarHBondContact O-N 3.48Å; A587-T591 WeakPolarHBondContact O-CB 3.44Å; A587-T591 PolarHBondContact O-N 2.97Å; A587-T591 VanDerWaalsContact O-N 3.09Å; A587-T591 PolarHBondContact O-OG1 2.92Å; A587-F603 HydrophobicContact CB-CZ 4.41Å
588	I	92.3	Very high	91.1	Very high	16 Å²	16	56 Å²	56	8%	0.082	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-50	174.8	-70.4	171.5	0	0	0	109.7	I482 R485 L489 L584 R585 W590 T591 W592	I482-I588 HydrophobicContact CG1-CD1 4.02Å; I482-I588 HydrophobicContact CG2-CD1 4.27Å; R485-I588 HydrophobicContact CB-CG2 3.96Å; R485-I588 HydrophobicContact CG-CG2 3.35Å; L489-I588 HydrophobicContact CD1-CG2 4.17Å; L584-I588 HydrophobicContact CD1-CD1 4.05Å; L584-I588 HydrophobicContact CD1-CG1 4.35Å; L584-I588 HydrophobicContact CD2-CD1 4.35Å; L584-I588 HydrophobicContact CG-CD1 3.72Å; L584-I588 HydrophobicContact CG-CG1 4.38Å; L584-I588 WeakPolarHBondContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CD1 3.38Å; L584-I588 WeakPolarHBondContact O-CG1 3Å; L584-I588 PolarHBondContact O-N 2.87Å; R585-I588 PolarHBondContact O-N 3.12Å; I588-W590 VanDerWaalsContact C-N 3.31Å; I588-W590 PolarHBondContact O-N 3.16Å; I588-T591 PolarHBondContact O-N 2.69Å; I588-W592 HydrophobicContact CB-CE3 4.18Å; I588-W592 HydrophobicContact CB-CZ3 3.86Å; I588-W592 HydrophobicContact CG1-CZ3 3.89Å; I588-W592 HydrophobicContact CG2-CE3 3.54Å; I588-W592 HydrophobicContact CG2-CZ3 3.51Å; I588-W592 PolarHBondContact O-N 3.39Å
589	D	90.5	Very high	91.2	Very high	10 Å²	10	55 Å²	55	5%	0.053	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-42	-178.8	-71	-7.5	0	0	0	111.2	R485 R585 T586 T591 T593 F602	R485-D589 IonicContact CZ-OD1 2.81Å; R485-D589 VanDerWaalsContact CZ-OD1 3.23Å; R485-D589 IonicContact CZ-OD2 3.44Å; R485-D589 IonicContact NE-OD1 3.54Å; R485-D589 PolarHBondContact NE-OD1 3.44Å; R485-D589 VanDerWaalsContact NH2-CG 3.25Å; R485-D589 IonicContact NH2-OD1 3.5Å; R485-D589 PolarHBondContact NH2-OD1 3.44Å; R485-D589 IonicContact NH2-OD2 3.67Å; R485-D589 PolarHBondContact NH2-OD2 3.28Å; R585-D589 IonicContact NE-OD2 3.84Å; R585-D589 PolarHBondContact NE-OD2 3.23Å; R585-D589 WeakPolarHBondContact O-CB 3.36Å; R585-D589 VanDerWaalsContact O-CG 3.3Å; R585-D589 PolarHBondContact O-N 3.49Å; T586-D589 PolarHBondContact O-N 3.33Å; D589-T591 PolarHBondContact O-N 3Å; D589-T593 WeakPolarHBondContact O-CB 3.27Å; D589-T593 PolarHBondContact O-N 3.46Å; D589-T593 VanDerWaalsContact O-N 3.08Å; D589-T593 PolarHBondContact O-OG1 3.44Å; D589-F602 HydrophobicContact CB-CE1 4.23Å; D589-F602 HydrophobicContact CB-CZ 4.07Å
590	W	93.1	Very high	91.4	Very high	91 Å²	91	58 Å²	58	35%	0.345	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-36.1	173.7	177.8	81.3	0	0	0	113.8	T586 I588 M597 L599 F602	T586-W590 WeakPolarHBondContact O-CB 3.41Å; T586-W590 PolarHBondContact O-N 2.77Å; I588-W590 VanDerWaalsContact C-N 3.31Å; I588-W590 PolarHBondContact O-N 3.16Å; W590-M597 PolarHBondContact NE1-O 2.84Å; W590-M597 VanDerWaalsContact NE1-O 3.16Å; W590-L599 HydrophobicContact CB-CD1 4.08Å; W590-L599 HydrophobicContact CD2-CB 4.19Å; W590-L599 HydrophobicContact CD2-CD1 3.4Å; W590-L599 HydrophobicContact CD2-CG 4.4Å; W590-L599 HydrophobicContact CE3-CD1 3.49Å; W590-L599 VanDerWaalsContact CE3-CD1 3.49Å; W590-L599 HydrophobicContact CG-CD1 3.67Å; W590-L599 HydrophobicContact CH2-CB 4.3Å; W590-L599 HydrophobicContact CZ2-CB 3.89Å; W590-L599 HydrophobicContact CZ2-CD1 4.5Å; W590-L599 HydrophobicContact CZ3-CD1 4.06Å; W590-F602 HydrophobicContact CB-CD1 3.88Å; W590-F602 HydrophobicContact CB-CD2 4.37Å; W590-F602 HydrophobicContact CB-CE1 4.03Å; W590-F602 HydrophobicContact CB-CE2 4.45Å; W590-F602 HydrophobicContact CB-CG 4.07Å; W590-F602 HydrophobicContact CB-CZ 4.31Å; W590-F602 AromaticContact CD1-CD2 3.88Å; W590-F602 AromaticContact CD1-CG 3.79Å; W590-F602 HydrophobicContact CG-CB 4.49Å; W590-F602 HydrophobicContact CG-CG 4.31Å
591	T	93.6	Very high	91.6	Very high	78 Å²	78	52.8 Å²	52.8	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-71.4	-36.1	-175.3	-59.5	0	0	0	0	113	A587 I588 D589	A587-T591 WeakPolarHBondContact O-CB 3.44Å; A587-T591 PolarHBondContact O-N 2.97Å; A587-T591 VanDerWaalsContact O-N 3.09Å; A587-T591 PolarHBondContact O-OG1 2.92Å; I588-T591 PolarHBondContact O-N 2.69Å; D589-T591 PolarHBondContact O-N 3Å
592	W	90.4	Very high	91.7	Very high	76 Å²	76	50.7 Å²	50.7	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-108.3	-9.3	-174.5	-73.3	-75.1	0	0	0	114.9	I482 A486 L489 I588	I482-W592 HydrophobicContact CG2-CH2 3.93Å; I482-W592 HydrophobicContact CG2-CZ3 4.4Å; A486-W592 HydrophobicContact CB-CD2 3.54Å; A486-W592 HydrophobicContact CB-CE3 3.99Å; A486-W592 HydrophobicContact CB-CG 3.98Å; A486-W592 HydrophobicContact CB-CH2 4.2Å; A486-W592 HydrophobicContact CB-CZ2 3.72Å; A486-W592 HydrophobicContact CB-CZ3 4.34Å; L489-W592 HydrophobicContact CB-CB 3.99Å; L489-W592 HydrophobicContact CD1-CB 3.9Å; I588-W592 HydrophobicContact CB-CE3 4.18Å; I588-W592 HydrophobicContact CB-CZ3 3.86Å; I588-W592 HydrophobicContact CG1-CZ3 3.89Å; I588-W592 HydrophobicContact CG2-CE3 3.54Å; I588-W592 HydrophobicContact CG2-CZ3 3.51Å; I588-W592 PolarHBondContact O-N 3.39Å
593	T	88.1	Confident	92	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	27%	0.265	C	S	.	.	S	Bend	trans	-91.2	132.3	172.4	-49.1	0	0	0	0	109.4	D589 T595 R1001	D589-T593 WeakPolarHBondContact O-CB 3.27Å; D589-T593 PolarHBondContact O-N 3.46Å; D589-T593 VanDerWaalsContact O-N 3.08Å; D589-T593 PolarHBondContact O-OG1 3.44Å; T593-T595 PolarHBondContact O-N 3.24Å; T593-R1001 HydrophobicContact CG2-CG 3.99Å
594	D	90.6	Very high	92	Very high	69 Å²	69	50.9 Å²	50.9	37%	0.369	26%	0.263	S	S	.	.			trans	-70.2	116.8	172.5	-55.8	-33.2	0	0	0	107.9	R490 K1004 F1006	R490-D594 IonicContact NH1-OD1 3.95Å; D594-K1004 IonicContact OD2-NZ 3.5Å; D594-K1004 PolarHBondContact OD2-NZ 3.28Å; D594-F1006 HydrophobicContact CB-CE1 4.38Å; D594-F1006 HydrophobicContact CB-CZ 4Å; D594-F1006 WeakPolarHBondContact O-CE1 3.36Å
595	T	91.5	Very high	92	Very high	31 Å²	31	47 Å²	47	19%	0.19	24%	0.243	C	C	.	.			trans	-147.1	152.2	177.9	176.2	0	0	0	0	109.6	T593 M597 F602 E1009	T593-T595 PolarHBondContact O-N 3.24Å; T595-M597 PolarHBondContact OG1-N 2.92Å; T595-M597 VanDerWaalsContact OG1-N 3.12Å; T595-F602 HydrophobicContact CG2-CD2 4.22Å; T595-F602 HydrophobicContact CG2-CE2 4.42Å; T595-E1009 VanDerWaalsContact OG1-CD 3.23Å; T595-E1009 PolarHBondContact OG1-OE1 2.94Å; T595-E1009 PolarHBondContact OG1-OE2 3.32Å; T595-E1009 VanDerWaalsContact OG1-OE2 3.09Å
596	S	91.8	Very high	92.1	Very high	38 Å²	38	45.1 Å²	45.1	27%	0.266	24%	0.236	S	C	.	.	S	Bend	trans	-90.7	-7.4	172.9	64.7	0	0	0	0	113.7	F1006 E1009 Q1010	S596-F1006 PolarHBondContact OG-O 3.05Å; S596-E1009 PolarHBondContact N-OE2 3.33Å; S596-E1009 VanDerWaalsContact N-OE2 3.07Å; S596-E1009 PolarHBondContact OG-OE2 2.69Å; S596-Q1010 WeakPolarHBondContact OG-CG 3.3Å; S596-Q1010 PolarHBondContact OG-NE2 2.89Å
597	M	90	Very high	92.2	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.039	26%	0.255	C	S	.	.	S	Bend	trans	-76	135.3	-178.2	-64.1	-167.9	-166	0	0	111.8	W590 T595 I997 E1009 F1013	W590-M597 PolarHBondContact NE1-O 2.84Å; W590-M597 VanDerWaalsContact NE1-O 3.16Å; T595-M597 PolarHBondContact OG1-N 2.92Å; T595-M597 VanDerWaalsContact OG1-N 3.12Å; M597-I997 HydrophobicContact CE-CG2 3.64Å; M597-E1009 HydrophobicContact CE-CG 3.37Å; M597-E1009 HydrophobicContact CG-CG 4.32Å; M597-F1013 HydrophobicContact CE-CB 3.48Å; M597-F1013 VanDerWaalsContact CE-CB 3.48Å; M597-F1013 HydrophobicContact CE-CD1 4.38Å; M597-F1013 HydrophobicContact CE-CD2 4.07Å; M597-F1013 HydrophobicContact CE-CG 3.73Å; M597-F1013 HydrophobicContact SD-CB 4.41Å; M597-F1013 HydrophobicContact SD-CD1 4.26Å; M597-F1013 HydrophobicContact SD-CD2 4.2Å; M597-F1013 HydrophobicContact SD-CG 4.03Å
598	P	93.4	Very high	92.1	Very high	75 Å²	75	49.7 Å²	49.7	49%	0.487	25%	0.253	S	S	.	.			trans	-57.9	155	166.7	-22.4	32.8	0	0	0	112.2	F600 D601 F602	P598-F600 VanDerWaalsContact C-N 3.35Å; P598-F600 PolarHBondContact O-N 3.4Å; P598-D601 PolarHBondContact O-N 3.09Å; P598-D601 VanDerWaalsContact O-N 3.11Å; P598-F602 PolarHBondContact O-N 3.02Å
599	L	92.2	Very high	92.1	Very high	54 Å²	54	49.5 Å²	49.5	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-50.4	-49.8	-178.7	-179.6	69.8	0	0	0	113	W590 D601 F602 F603	W590-L599 HydrophobicContact CB-CD1 4.08Å; W590-L599 HydrophobicContact CD2-CB 4.19Å; W590-L599 HydrophobicContact CD2-CD1 3.4Å; W590-L599 HydrophobicContact CD2-CG 4.4Å; W590-L599 HydrophobicContact CE3-CD1 3.49Å; W590-L599 VanDerWaalsContact CE3-CD1 3.49Å; W590-L599 HydrophobicContact CG-CD1 3.67Å; W590-L599 HydrophobicContact CH2-CB 4.3Å; W590-L599 HydrophobicContact CZ2-CB 3.89Å; W590-L599 HydrophobicContact CZ2-CD1 4.5Å; W590-L599 HydrophobicContact CZ3-CD1 4.06Å; L599-D601 VanDerWaalsContact C-N 3.34Å; L599-D601 PolarHBondContact O-N 3.16Å; L599-F602 WeakPolarHBondContact O-CB 3.41Å; L599-F602 PolarHBondContact O-N 3.25Å; L599-F603 HydrophobicContact CD1-CD2 4.09Å; L599-F603 HydrophobicContact CD1-CE2 3.77Å; L599-F603 HydrophobicContact CG-CD2 4.03Å; L599-F603 HydrophobicContact CG-CE2 4Å; L599-F603 WeakPolarHBondContact O-CD2 3.45Å; L599-F603 PolarHBondContact O-N 2.93Å
600	F	93.2	Very high	92.2	Very high	159 Å²	159	49.6 Å²	49.6	70%	0.697	25%	0.253	S	S	*	.	H	α-helix	trans	-68.8	-31.9	-177.1	-67.4	-67.5	0	0	0	113.3	P598 F603 N604	P598-F600 VanDerWaalsContact C-N 3.35Å; P598-F600 PolarHBondContact O-N 3.4Å; F600-F603 WeakPolarHBondContact O-CB 3.29Å; F600-F603 PolarHBondContact O-N 3.39Å; F600-N604 VanDerWaalsContact O-CG 3.26Å; F600-N604 PolarHBondContact O-N 3.06Å; F600-N604 PolarHBondContact O-ND2 3.28Å
601	D	93.7	Very high	92.1	Very high	56 Å²	56	48.4 Å²	48.4	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-71.2	-36.7	174.9	-73.7	-18.8	0	0	0	111.2	P598 L599 N604 M605 F1013	P598-D601 PolarHBondContact O-N 3.09Å; P598-D601 VanDerWaalsContact O-N 3.11Å; L599-D601 VanDerWaalsContact C-N 3.34Å; L599-D601 PolarHBondContact O-N 3.16Å; D601-N604 PolarHBondContact O-N 2.54Å; D601-M605 WeakPolarHBondContact O-CB 3.33Å; D601-M605 PolarHBondContact O-N 3.46Å; D601-F1013 HydrophobicContact CB-CE1 3.66Å; D601-F1013 HydrophobicContact CB-CZ 3.82Å
602	F	93.3	Very high	92	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-44.6	170.5	-168.4	-82.2	0	0	0	111.5	T586 D589 W590 T595 P598 L599 N604 M605 E606	T586-F602 HydrophobicContact CG2-CD1 3.62Å; T586-F602 HydrophobicContact CG2-CE1 3.82Å; D589-F602 HydrophobicContact CB-CE1 4.23Å; D589-F602 HydrophobicContact CB-CZ 4.07Å; W590-F602 HydrophobicContact CB-CD1 3.88Å; W590-F602 HydrophobicContact CB-CD2 4.37Å; W590-F602 HydrophobicContact CB-CE1 4.03Å; W590-F602 HydrophobicContact CB-CE2 4.45Å; W590-F602 HydrophobicContact CB-CG 4.07Å; W590-F602 HydrophobicContact CB-CZ 4.31Å; W590-F602 AromaticContact CD1-CD2 3.88Å; W590-F602 AromaticContact CD1-CG 3.79Å; W590-F602 HydrophobicContact CG-CB 4.49Å; W590-F602 HydrophobicContact CG-CG 4.31Å; T595-F602 HydrophobicContact CG2-CD2 4.22Å; T595-F602 HydrophobicContact CG2-CE2 4.42Å; P598-F602 PolarHBondContact O-N 3.02Å; L599-F602 WeakPolarHBondContact O-CB 3.41Å; L599-F602 PolarHBondContact O-N 3.25Å; F602-N604 PolarHBondContact O-N 3.48Å; F602-M605 WeakPolarHBondContact O-CB 3.35Å; F602-M605 PolarHBondContact O-N 3.11Å; F602-E606 HydrophobicContact CD1-CG 4.21Å; F602-E606 HydrophobicContact CE1-CG 3.98Å; F602-E606 PolarHBondContact O-N 3.16Å
603	F	94.5	Very high	92.1	Very high	43 Å²	43	41.1 Å²	41.1	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-42.8	172.3	-91.5	-81.3	0	0	0	112.7	E583 T586 A587 L599 F600 E606 N607	E583-F603 HydrophobicContact CB-CE1 4.5Å; T586-F603 HydrophobicContact CG2-CD1 3.52Å; T586-F603 HydrophobicContact CG2-CD2 4.03Å; T586-F603 HydrophobicContact CG2-CE1 3.57Å; T586-F603 HydrophobicContact CG2-CE2 4.07Å; T586-F603 HydrophobicContact CG2-CG 3.75Å; T586-F603 HydrophobicContact CG2-CZ 3.85Å; A587-F603 HydrophobicContact CB-CZ 4.41Å; L599-F603 HydrophobicContact CD1-CD2 4.09Å; L599-F603 HydrophobicContact CD1-CE2 3.77Å; L599-F603 HydrophobicContact CG-CD2 4.03Å; L599-F603 HydrophobicContact CG-CE2 4Å; L599-F603 WeakPolarHBondContact O-CD2 3.45Å; L599-F603 PolarHBondContact O-N 2.93Å; F600-F603 WeakPolarHBondContact O-CB 3.29Å; F600-F603 PolarHBondContact O-N 3.39Å; F603-E606 PolarHBondContact O-N 3.07Å; F603-N607 WeakPolarHBondContact O-CB 3.36Å; F603-N607 PolarHBondContact O-N 3.32Å; F603-N607 PolarHBondContact O-ND2 3.46Å
604	N	93.2	Very high	92.2	Very high	74 Å²	74	42.1 Å²	42.1	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-42.3	176.8	-72.2	-28.9	0	0	0	111.8	F600 D601 F602 N607 F608	F600-N604 VanDerWaalsContact O-CG 3.26Å; F600-N604 PolarHBondContact O-N 3.06Å; F600-N604 PolarHBondContact O-ND2 3.28Å; D601-N604 PolarHBondContact O-N 2.54Å; F602-N604 PolarHBondContact O-N 3.48Å; N604-N607 PolarHBondContact O-N 2.94Å; N604-F608 HydrophobicContact CB-CE2 4.27Å; N604-F608 WeakPolarHBondContact O-CD2 3.45Å; N604-F608 WeakPolarHBondContact O-CG 3.47Å; N604-F608 PolarHBondContact O-N 2.97Å
605	M	92.3	Very high	92.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-48	176.3	-173.8	-82.6	-160.4	0	0	111.9	D601 F602 N607 F608 Y609 I997 Y998 F1013	D601-M605 WeakPolarHBondContact O-CB 3.33Å; D601-M605 PolarHBondContact O-N 3.46Å; F602-M605 WeakPolarHBondContact O-CB 3.35Å; F602-M605 PolarHBondContact O-N 3.11Å; M605-N607 VanDerWaalsContact C-N 3.35Å; M605-N607 PolarHBondContact O-N 2.87Å; M605-F608 PolarHBondContact O-N 3.32Å; M605-Y609 PolarHBondContact O-N 3.47Å; M605-I997 HydrophobicContact CE-CB 3.77Å; M605-I997 HydrophobicContact CE-CG2 3.33Å; M605-Y998 HydrophobicContact CE-CD1 3.6Å; M605-Y998 HydrophobicContact CE-CD2 4.43Å; M605-Y998 HydrophobicContact CE-CE1 3.38Å; M605-Y998 HydrophobicContact CE-CE2 4.23Å; M605-Y998 HydrophobicContact CE-CG 4.11Å; M605-Y998 HydrophobicContact SD-CE1 3.81Å; M605-F1013 HydrophobicContact CB-CD2 4.15Å; M605-F1013 HydrophobicContact CB-CE2 3.75Å; M605-F1013 HydrophobicContact CG-CD2 4.22Å; M605-F1013 HydrophobicContact CG-CE2 4.31Å
606	E	92.2	Very high	92.3	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-37.8	176.8	-70.8	-68.1	156.8	0	0	112.2	F582 R585 T586 F602 F603 Y609 A610 Y998	F582-E606 HydrophobicContact CE2-CB 4.22Å; F582-E606 HydrophobicContact CZ-CB 4.07Å; R585-E606 IonicContact NH2-OE2 3.29Å; T586-E606 HydrophobicContact CG2-CB 4.34Å; T586-E606 HydrophobicContact CG2-CG 3.95Å; F602-E606 HydrophobicContact CD1-CG 4.21Å; F602-E606 HydrophobicContact CE1-CG 3.98Å; F602-E606 PolarHBondContact O-N 3.16Å; F603-E606 PolarHBondContact O-N 3.07Å; E606-Y609 PolarHBondContact O-N 3.42Å; E606-A610 WeakPolarHBondContact O-CB 3.22Å; E606-A610 PolarHBondContact O-N 2.94Å; E606-Y998 WeakPolarHBondContact OE1-CE1 3.48Å; E606-Y998 PolarHBondContact OE1-OH 2.72Å; E606-Y998 PolarHBondContact OE2-OH 3.28Å
607	N	92.5	Very high	92.3	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-42.5	174.5	-78.9	-33.2	0	0	0	112.4	F582 F603 N604 M605 A610 H611	F582-N607 VanDerWaalsContact CE1-OD1 3.23Å; F582-N607 WeakPolarHBondContact CE1-OD1 3.49Å; F582-N607 VanDerWaalsContact CZ-OD1 3.23Å; F582-N607 WeakPolarHBondContact CZ-OD1 3.32Å; F603-N607 WeakPolarHBondContact O-CB 3.36Å; F603-N607 PolarHBondContact O-N 3.32Å; F603-N607 PolarHBondContact O-ND2 3.46Å; N604-N607 PolarHBondContact O-N 2.94Å; M605-N607 VanDerWaalsContact C-N 3.35Å; M605-N607 PolarHBondContact O-N 2.87Å; N607-A610 PolarHBondContact O-N 3.43Å; N607-H611 WeakPolarHBondContact O-CB 3.27Å; N607-H611 PolarHBondContact O-N 2.93Å
608	F	92.7	Very high	92.3	Very high	53 Å²	53	38.2 Å²	38.2	23%	0.232	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-47	174.7	-70	-49.9	0	0	0	111.1	N604 M605 A610 H611 I612 L1016 F1020	N604-F608 HydrophobicContact CB-CE2 4.27Å; N604-F608 WeakPolarHBondContact O-CD2 3.45Å; N604-F608 WeakPolarHBondContact O-CG 3.47Å; N604-F608 PolarHBondContact O-N 2.97Å; M605-F608 PolarHBondContact O-N 3.32Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 2.92Å; F608-H611 PolarHBondContact O-N 3.24Å; F608-I612 HydrophobicContact CB-CD1 4.5Å; F608-I612 WeakPolarHBondContact O-CB 3.36Å; F608-I612 WeakPolarHBondContact O-CD1 3.45Å; F608-I612 VanDerWaalsContact O-CG1 3.25Å; F608-I612 WeakPolarHBondContact O-CG1 3.37Å; F608-I612 PolarHBondContact O-N 3.26Å; F608-L1016 HydrophobicContact CB-CD2 4.28Å; F608-L1016 HydrophobicContact CD2-CD2 4.16Å; F608-F1020 HydrophobicContact CB-CE2 4.4Å; F608-F1020 HydrophobicContact CD1-CD1 4.49Å; F608-F1020 AromaticContact CD1-CD2 3.98Å; F608-F1020 HydrophobicContact CD1-CD2 3.98Å; F608-F1020 HydrophobicContact CD1-CE1 4.39Å; F608-F1020 AromaticContact CD1-CE2 3.86Å; F608-F1020 HydrophobicContact CD1-CE2 3.86Å; F608-F1020 HydrophobicContact CD1-CG 4.3Å; F608-F1020 HydrophobicContact CD1-CZ 4.08Å; F608-F1020 HydrophobicContact CE1-CB 4.45Å; F608-F1020 HydrophobicContact CE1-CD1 4.33Å; F608-F1020 HydrophobicContact CE1-CD2 4.04Å; F608-F1020 HydrophobicContact CE1-CE2 4.38Å; F608-F1020 HydrophobicContact CE1-CG 4.02Å; F608-F1020 HydrophobicContact CG-CD2 4.4Å; F608-F1020 HydrophobicContact CG-CE2 4.18Å; F608-F1020 HydrophobicContact CZ-CD2 4.5Å
609	Y	92.4	Very high	92.1	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-46.8	176.9	177.2	-104.8	0	0	0	111.7	T561 M605 E606 H611 I612 F613 L991 C994 L995 Y998	T561-Y609 WeakPolarHBondContact CB-OH 3.14Å; T561-Y609 HydrophobicContact CG2-CE1 4.12Å; T561-Y609 PolarHBondContact OG1-OH 3.03Å; M605-Y609 PolarHBondContact O-N 3.47Å; E606-Y609 PolarHBondContact O-N 3.42Å; Y609-H611 VanDerWaalsContact C-N 3.31Å; Y609-H611 PolarHBondContact O-N 2.74Å; Y609-I612 PolarHBondContact O-N 2.88Å; Y609-F613 WeakPolarHBondContact O-CB 3.35Å; Y609-F613 PolarHBondContact O-N 3.49Å; Y609-L991 HydrophobicContact CD2-CD1 4Å; Y609-L991 HydrophobicContact CE2-CD1 3.57Å; Y609-C994 HydrophobicContact CD2-CB 3.68Å; Y609-C994 HydrophobicContact CE2-CB 4.47Å; Y609-L995 HydrophobicContact CE2-CD2 4.41Å; Y609-Y998 HydrophobicContact CD1-CE2 4.43Å; Y609-Y998 WeakPolarHBondContact CD1-OH 3.41Å; Y609-Y998 AromaticContact CD2-CE2 3.86Å; Y609-Y998 HydrophobicContact CD2-CE2 3.86Å; Y609-Y998 AromaticContact CE2-CE2 3.93Å; Y609-Y998 HydrophobicContact CE2-CE2 3.93Å; Y609-Y998 HydrophobicContact CG-CE2 4.11Å
610	A	91.4	Very high	91.8	Very high	12 Å²	12	38.6 Å²	38.6	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-41.8	177.5	0	0	0	0	0	113.1	F572 M576 E606 N607 F608 N614	F572-A610 HydrophobicContact CE1-CB 3.9Å; F572-A610 HydrophobicContact CZ-CB 3.69Å; M576-A610 HydrophobicContact CE-CB 3.49Å; M576-A610 VanDerWaalsContact CE-CB 3.49Å; E606-A610 WeakPolarHBondContact O-CB 3.22Å; E606-A610 PolarHBondContact O-N 2.94Å; N607-A610 PolarHBondContact O-N 3.43Å; F608-A610 VanDerWaalsContact C-N 3.34Å; F608-A610 PolarHBondContact O-N 2.92Å; A610-N614 WeakPolarHBondContact O-CB 3.22Å; A610-N614 PolarHBondContact O-N 3.48Å; A610-N614 VanDerWaalsContact O-N 3.16Å
611	H	90.9	Very high	91.4	Very high	67 Å²	67	34.5 Å²	34.5	31%	0.31	17%	0.171	S	C	.	.	H	α-helix	trans	-67.7	-48.8	178.6	-167.8	-81	0	0	0	111.7	N607 F608 Y609 F613 N614 I615 F981	N607-H611 WeakPolarHBondContact O-CB 3.27Å; N607-H611 PolarHBondContact O-N 2.93Å; F608-H611 PolarHBondContact O-N 3.24Å; Y609-H611 VanDerWaalsContact C-N 3.31Å; Y609-H611 PolarHBondContact O-N 2.74Å; H611-F613 PolarHBondContact O-N 3.47Å; H611-N614 PolarHBondContact O-N 2.89Å; H611-I615 WeakPolarHBondContact O-CG1 3.47Å; H611-I615 PolarHBondContact O-N 2.87Å; H611-I615 VanDerWaalsContact O-N 3.16Å; H611-F981 PolarHBondContact CE1-O 3.12Å
612	I	92.6	Very high	91	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-43.9	178.7	-67.2	161.7	0	0	0	110.6	F608 Y609 N614 I615 K616 A987 L990 L991 F1020	F608-I612 HydrophobicContact CB-CD1 4.5Å; F608-I612 WeakPolarHBondContact O-CB 3.36Å; F608-I612 WeakPolarHBondContact O-CD1 3.45Å; F608-I612 VanDerWaalsContact O-CG1 3.25Å; F608-I612 WeakPolarHBondContact O-CG1 3.37Å; F608-I612 PolarHBondContact O-N 3.26Å; Y609-I612 PolarHBondContact O-N 2.88Å; I612-N614 PolarHBondContact O-N 3.27Å; I612-I615 PolarHBondContact O-N 3.43Å; I612-K616 PolarHBondContact O-N 2.94Å; I612-A987 HydrophobicContact CG2-CB 4.16Å; I612-L990 HydrophobicContact CD1-CB 3.85Å; I612-L990 HydrophobicContact CG1-CB 4.27Å; I612-L990 HydrophobicContact CG2-CB 4.12Å; I612-L991 HydrophobicContact CG2-CB 3.83Å; I612-L991 HydrophobicContact CG2-CD1 4.22Å; I612-F1020 HydrophobicContact CD1-CE2 4.06Å; I612-F1020 HydrophobicContact CD1-CZ 3.93Å; I612-F1020 HydrophobicContact CG1-CZ 4.1Å
613	F	91.4	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-45.7	177.7	175.6	-99.4	0	0	0	111.8	L560 T561 Y564 F572 Y609 H611 I615 K616 C617	L560-F613 WeakPolarHBondContact O-CZ 3.48Å; T561-F613 VanDerWaalsContact CA-CE2 3.41Å; T561-F613 VanDerWaalsContact CB-CE2 3.47Å; T561-F613 HydrophobicContact CG2-CD1 3.94Å; T561-F613 HydrophobicContact CG2-CD2 3.88Å; T561-F613 HydrophobicContact CG2-CE1 3.82Å; T561-F613 HydrophobicContact CG2-CE2 3.76Å; T561-F613 HydrophobicContact CG2-CG 3.98Å; T561-F613 HydrophobicContact CG2-CZ 3.73Å; Y564-F613 HydrophobicContact CD1-CD2 4.04Å; Y564-F613 AromaticContact CD1-CE2 3.64Å; Y564-F613 HydrophobicContact CD1-CE2 3.64Å; Y564-F613 AromaticContact CE1-CD2 3.84Å; Y564-F613 HydrophobicContact CE1-CD2 3.84Å; Y564-F613 AromaticContact CE1-CE2 3.72Å; Y564-F613 HydrophobicContact CE1-CE2 3.72Å; F572-F613 HydrophobicContact CB-CD1 4.44Å; F572-F613 HydrophobicContact CB-CE1 3.87Å; F572-F613 AromaticContact CD1-CD1 3.65Å; F572-F613 HydrophobicContact CD1-CD1 3.65Å; F572-F613 AromaticContact CD1-CE1 3.96Å; F572-F613 HydrophobicContact CD1-CE1 3.96Å; F572-F613 HydrophobicContact CD2-CD1 4.19Å; F572-F613 HydrophobicContact CD2-CE1 4.13Å; F572-F613 AromaticContact CE1-CD1 3.81Å; F572-F613 HydrophobicContact CE1-CD1 3.81Å; F572-F613 HydrophobicContact CE2-CD1 4.34Å; F572-F613 AromaticContact CG-CD1 3.84Å; F572-F613 HydrophobicContact CG-CD1 3.84Å; F572-F613 AromaticContact CG-CE1 3.72Å; F572-F613 HydrophobicContact CG-CE1 3.72Å; F572-F613 HydrophobicContact CZ-CD1 4.14Å; Y609-F613 WeakPolarHBondContact O-CB 3.35Å; Y609-F613 PolarHBondContact O-N 3.49Å; H611-F613 PolarHBondContact O-N 3.47Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.9Å; F613-K616 PolarHBondContact O-N 2.86Å; F613-C617 VanDerWaalsContact CE1-SG 3.6Å; F613-C617 WeakPolarHBondContact CZ-SG 3.46Å; F613-C617 PolarHBondContact O-N 3.39Å
614	N	91.3	Very high	89.8	Confident	50 Å²	50	38.1 Å²	38.1	27%	0.267	20%	0.199	S	C	.	.	H	α-helix	trans	-62.9	-36.9	178.1	-174.9	31.6	0	0	0	112	K573 A610 H611 I612 A618	K573-N614 WeakPolarHBondContact CE-OD1 3.4Å; A610-N614 WeakPolarHBondContact O-CB 3.22Å; A610-N614 PolarHBondContact O-N 3.48Å; A610-N614 VanDerWaalsContact O-N 3.16Å; H611-N614 PolarHBondContact O-N 2.89Å; I612-N614 PolarHBondContact O-N 3.27Å; N614-A618 PolarHBondContact O-N 2.91Å
615	I	92	Very high	89.3	Confident	11 Å²	11	36.9 Å²	36.9	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-47.1	172.9	-63.4	167.9	0	0	0	110.7	H611 I612 F613 C617 A618 R619 F981 L984 A987	H611-I615 WeakPolarHBondContact O-CG1 3.47Å; H611-I615 PolarHBondContact O-N 2.87Å; H611-I615 VanDerWaalsContact O-N 3.16Å; I612-I615 PolarHBondContact O-N 3.43Å; F613-I615 VanDerWaalsContact C-N 3.31Å; F613-I615 PolarHBondContact O-N 2.9Å; I615-C617 VanDerWaalsContact C-N 3.29Å; I615-C617 PolarHBondContact O-N 3.15Å; I615-A618 WeakPolarHBondContact O-CB 3.27Å; I615-A618 PolarHBondContact O-N 2.87Å; I615-R619 HydrophobicContact CG2-CG 4.26Å; I615-R619 WeakPolarHBondContact O-CG 3.18Å; I615-R619 PolarHBondContact O-N 2.97Å; I615-F981 WeakPolarHBondContact CD1-O 3.26Å; I615-L984 HydrophobicContact CD1-CB 4.43Å; I615-L984 HydrophobicContact CD1-CD1 3.92Å; I615-L984 HydrophobicContact CD1-CG 4.21Å; I615-L984 HydrophobicContact CG2-CB 4.31Å; I615-A987 HydrophobicContact CB-CB 4.38Å; I615-A987 HydrophobicContact CG2-CB 4.03Å
616	K	91.4	Very high	88.7	Confident	25 Å²	25	38 Å²	38	11%	0.109	20%	0.196	C	C	.	.	H	α-helix	trans	-56.7	-44.9	178	177.6	58.9	169.4	178.6	0	111.3	Y564 I612 F613 A618 R619 Q620 A987 D988 L991	Y564-K616 HydrophobicContact CD1-CB 4.23Å; Y564-K616 HydrophobicContact CD1-CG 3.4Å; Y564-K616 VanDerWaalsContact CD1-CG 3.4Å; Y564-K616 HydrophobicContact CD2-CG 4.45Å; Y564-K616 HydrophobicContact CE1-CG 3.75Å; Y564-K616 HydrophobicContact CG-CG 3.8Å; I612-K616 PolarHBondContact O-N 2.94Å; F613-K616 PolarHBondContact O-N 2.86Å; K616-A618 PolarHBondContact O-N 2.8Å; K616-R619 PolarHBondContact O-N 3.44Å; K616-Q620 WeakPolarHBondContact O-CB 3.43Å; K616-Q620 PolarHBondContact O-N 2.95Å; K616-A987 HydrophobicContact CB-CB 4.34Å; K616-D988 WeakPolarHBondContact CD-OD1 3.1Å; K616-D988 WeakPolarHBondContact CE-OD1 3.38Å; K616-D988 IonicContact NZ-OD1 3.1Å; K616-D988 PolarHBondContact NZ-OD1 3.04Å; K616-D988 IonicContact NZ-OD2 3.38Å; K616-D988 PolarHBondContact NZ-OD2 2.73Å; K616-L991 HydrophobicContact CB-CD2 4.34Å; K616-L991 HydrophobicContact CG-CD2 4.01Å
617	C	91.1	Very high	88.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-42.2	173.4	-79.4	0	0	0	0	113.1	M569 F613 I615 Q620 F621	M569-C617 HydrophobicContact CB-CB 3.78Å; M569-C617 HydrophobicContact CG-CB 3.82Å; M569-C617 HydrophobicContact SD-CB 4.11Å; F613-C617 VanDerWaalsContact CE1-SG 3.6Å; F613-C617 WeakPolarHBondContact CZ-SG 3.46Å; F613-C617 PolarHBondContact O-N 3.39Å; I615-C617 VanDerWaalsContact C-N 3.29Å; I615-C617 PolarHBondContact O-N 3.15Å; C617-Q620 PolarHBondContact O-N 2.91Å; C617-F621 WeakPolarHBondContact O-CB 3.5Å; C617-F621 PolarHBondContact O-N 3.38Å
618	A	89.8	Confident	87.4	Confident	28 Å²	28	37.8 Å²	37.8	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-43	177.3	0	0	0	0	0	111.7	N614 I615 K616 F621 E622	N614-A618 PolarHBondContact O-N 2.91Å; I615-A618 WeakPolarHBondContact O-CB 3.27Å; I615-A618 PolarHBondContact O-N 2.87Å; K616-A618 PolarHBondContact O-N 2.8Å; A618-F621 WeakPolarHBondContact O-CB 3.48Å; A618-F621 PolarHBondContact O-N 3.4Å; A618-E622 WeakPolarHBondContact O-CG 3.31Å; A618-E622 PolarHBondContact O-N 3.41Å
619	R	89.4	Confident	86.8	Confident	56 Å²	56	47 Å²	47	21%	0.211	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-37.8	176.7	-59.3	-59.9	156.7	-154.1	-7.4	112.5	I615 K616 F621 E622 A623 E983 L984	I615-R619 HydrophobicContact CG2-CG 4.26Å; I615-R619 WeakPolarHBondContact O-CG 3.18Å; I615-R619 PolarHBondContact O-N 2.97Å; K616-R619 PolarHBondContact O-N 3.44Å; R619-F621 VanDerWaalsContact C-N 3.33Å; R619-E622 WeakPolarHBondContact CD-OE2 3.26Å; R619-E622 IonicContact CZ-OE1 3.98Å; R619-E622 IonicContact CZ-OE2 3.36Å; R619-E622 IonicContact NE-OE2 2.92Å; R619-E622 IonicContact NH1-OE1 3.04Å; R619-E622 PolarHBondContact NH1-OE1 3.15Å; R619-E622 IonicContact NH1-OE2 3.82Å; R619-E622 PolarHBondContact NH1-OE2 3.23Å; R619-E622 PolarHBondContact O-N 3.4Å; R619-A623 PolarHBondContact O-N 2.84Å; R619-E983 IonicContact CZ-OE2 3.23Å; R619-E983 IonicContact NH2-OE2 2.83Å; R619-E983 PolarHBondContact NH2-OE2 3.19Å; R619-L984 PolarHBondContact NE-O 3.49Å
620	Q	86.3	Confident	86.1	Confident	80 Å²	80	50.6 Å²	50.6	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-38.1	173.5	-170.1	67.6	16.4	0	0	111.8	Y564 K616 C617 A623 A624	Y564-Q620 VanDerWaalsContact O-CB 3.27Å; Y564-Q620 WeakPolarHBondContact O-CB 3.35Å; Y564-Q620 VanDerWaalsContact O-CG 3.29Å; Y564-Q620 WeakPolarHBondContact O-CG 3.46Å; K616-Q620 WeakPolarHBondContact O-CB 3.43Å; K616-Q620 PolarHBondContact O-N 2.95Å; C617-Q620 PolarHBondContact O-N 2.91Å; Q620-A623 PolarHBondContact O-N 2.94Å; Q620-A624 WeakPolarHBondContact O-CB 3.49Å; Q620-A624 PolarHBondContact O-N 2.92Å
621	F	86.1	Confident	85.4	Confident	73 Å²	73	53.6 Å²	53.6	32%	0.32	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-43.1	173.6	172.8	-100.8	0	0	0	111.7	M566 C617 A618 R619 A623 A624 Y625	M566-F621 HydrophobicContact CB-CD2 4.01Å; M566-F621 HydrophobicContact CG-CD2 4.08Å; M566-F621 HydrophobicContact CG-CE2 4.22Å; M566-F621 HydrophobicContact SD-CD2 4.04Å; M566-F621 HydrophobicContact SD-CE2 3.57Å; M566-F621 VanDerWaalsContact SD-CE2 3.57Å; M566-F621 HydrophobicContact SD-CZ 4.47Å; C617-F621 WeakPolarHBondContact O-CB 3.5Å; C617-F621 PolarHBondContact O-N 3.38Å; A618-F621 WeakPolarHBondContact O-CB 3.48Å; A618-F621 PolarHBondContact O-N 3.4Å; R619-F621 VanDerWaalsContact C-N 3.33Å; F621-A623 VanDerWaalsContact C-N 3.31Å; F621-A623 PolarHBondContact O-N 3.34Å; F621-A624 PolarHBondContact O-N 3.45Å; F621-Y625 AromaticContact CD2-CD2 3.35Å; F621-Y625 HydrophobicContact CD2-CD2 3.35Å; F621-Y625 AromaticContact CD2-CE2 3.61Å; F621-Y625 HydrophobicContact CD2-CE2 3.61Å; F621-Y625 HydrophobicContact CD2-CG 4.45Å; F621-Y625 AromaticContact CE2-CD2 3.22Å; F621-Y625 HydrophobicContact CE2-CD2 3.22Å; F621-Y625 AromaticContact CE2-CE2 3.51Å; F621-Y625 HydrophobicContact CE2-CE2 3.51Å; F621-Y625 HydrophobicContact CE2-CG 4.02Å; F621-Y625 HydrophobicContact CG-CD2 4.23Å; F621-Y625 HydrophobicContact CZ-CD2 4.03Å; F621-Y625 HydrophobicContact CZ-CG 4.46Å; F621-Y625 WeakPolarHBondContact O-CD2 3.4Å; F621-Y625 PolarHBondContact O-N 3.32Å
622	E	85.2	Confident	84.9	Confident	102 Å²	102	55.4 Å²	55.4	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-37.1	174.5	-73	173.9	177.6	0	0	112.7	A618 R619 Y625	A618-E622 WeakPolarHBondContact O-CG 3.31Å; A618-E622 PolarHBondContact O-N 3.41Å; R619-E622 WeakPolarHBondContact CD-OE2 3.26Å; R619-E622 IonicContact CZ-OE1 3.98Å; R619-E622 IonicContact CZ-OE2 3.36Å; R619-E622 IonicContact NE-OE2 2.92Å; R619-E622 IonicContact NH1-OE1 3.04Å; R619-E622 PolarHBondContact NH1-OE1 3.15Å; R619-E622 IonicContact NH1-OE2 3.82Å; R619-E622 PolarHBondContact NH1-OE2 3.23Å; R619-E622 PolarHBondContact O-N 3.4Å; E622-Y625 CarbonylContact O-C 3.56Å
623	A	82	Confident	84.3	Confident	40 Å²	40	60.8 Å²	60.8	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-44.3	174.3	0	0	0	0	0	112.1	R619 Q620 F621 Y625	R619-A623 PolarHBondContact O-N 2.84Å; Q620-A623 PolarHBondContact O-N 2.94Å; F621-A623 VanDerWaalsContact C-N 3.31Å; F621-A623 PolarHBondContact O-N 3.34Å; A623-Y625 PolarHBondContact O-N 3.29Å
624	A	79.4	Confident	83.6	Confident	34 Å²	34	61.3 Å²	61.3	28%	0.281	34%	0.339	S	S	.	.	H	α-helix	trans	-71.5	-25.8	-178.7	0	0	0	0	0	114.2	Q36 Q620 F621 P626	Q36-A624 PolarHBondContact NE2-O 3.25Å; Q620-A624 WeakPolarHBondContact O-CB 3.49Å; Q620-A624 PolarHBondContact O-N 2.92Å; F621-A624 PolarHBondContact O-N 3.45Å; A624-P626 VanDerWaalsContact C-CD 3.49Å
625	Y	82.4	Confident	83.3	Confident	49 Å²	49	65.6 Å²	65.6	19%	0.192	36%	0.355	C	S	.	.	S	Bend	trans	-125.4	67.7	179.1	-60.8	-82.2	0	0	0	110.9	Q36 Y39 F621 E622 A623 A627	Q36-Y625 HydrophobicContact CG-CD1 4.47Å; Q36-Y625 HydrophobicContact CG-CE1 4.05Å; Y39-Y625 AromaticContact CD1-CD1 3.83Å; Y39-Y625 HydrophobicContact CD1-CD1 3.83Å; Y39-Y625 HydrophobicContact CD2-CD1 4.2Å; Y39-Y625 HydrophobicContact CE1-CD1 4.46Å; Y39-Y625 AromaticContact CG-CD1 3.66Å; Y39-Y625 HydrophobicContact CG-CD1 3.66Å; Y39-Y625 HydrophobicContact CG-CE1 4.41Å; Y39-Y625 HydrophobicContact CG-CG 4.49Å; F621-Y625 AromaticContact CD2-CD2 3.35Å; F621-Y625 HydrophobicContact CD2-CD2 3.35Å; F621-Y625 AromaticContact CD2-CE2 3.61Å; F621-Y625 HydrophobicContact CD2-CE2 3.61Å; F621-Y625 HydrophobicContact CD2-CG 4.45Å; F621-Y625 AromaticContact CE2-CD2 3.22Å; F621-Y625 HydrophobicContact CE2-CD2 3.22Å; F621-Y625 AromaticContact CE2-CE2 3.51Å; F621-Y625 HydrophobicContact CE2-CE2 3.51Å; F621-Y625 HydrophobicContact CE2-CG 4.02Å; F621-Y625 HydrophobicContact CG-CD2 4.23Å; F621-Y625 HydrophobicContact CZ-CD2 4.03Å; F621-Y625 HydrophobicContact CZ-CG 4.46Å; F621-Y625 WeakPolarHBondContact O-CD2 3.4Å; F621-Y625 PolarHBondContact O-N 3.32Å; E622-Y625 CarbonylContact O-C 3.56Å; A623-Y625 PolarHBondContact O-N 3.29Å; Y625-A627 PolarHBondContact O-N 3.33Å
626	P	80.9	Confident	82.7	Confident	22 Å²	22	67.2 Å²	67.2	14%	0.143	36%	0.363	C	S	.	.			trans	-63.2	138.6	-174.4	27.7	-35	0	0	0	110.7	A68 L69 A624	A68-P626 HydrophobicContact CB-CG 3.85Å; L69-P626 HydrophobicContact CB-CB 4.4Å; L69-P626 HydrophobicContact CB-CG 3.97Å; L69-P626 HydrophobicContact CD1-CB 3.98Å; L69-P626 HydrophobicContact CD1-CG 4.34Å; A624-P626 VanDerWaalsContact C-CD 3.49Å
627	A	79.8	Confident	82.3	Confident	48 Å²	48	68.4 Å²	68.4	40%	0.397	37%	0.373	S	S	.	.			trans	-104.5	128.9	173.4	0	0	0	0	0	109.5	Y625 R629	Y625-A627 PolarHBondContact O-N 3.33Å; A627-R629 PolarHBondContact O-N 3.44Å
628	P	77.9	Confident	82	Confident	32 Å²	32	74.1 Å²	74.1	21%	0.208	40%	0.397	C	S	.	.			trans	-62.7	135.9	176.9	25.7	-33.6	0	0	0	110.4	V72 I631	V72-P628 HydrophobicContact CG1-CG 4.34Å; P628-I631 HydrophobicContact CB-CD1 3.64Å; P628-I631 HydrophobicContact CB-CG1 4.1Å; P628-I631 HydrophobicContact CG-CB 4.17Å; P628-I631 HydrophobicContact CG-CD1 3.73Å; P628-I631 HydrophobicContact CG-CG1 4.2Å
629	R	78.8	Confident	81.9	Confident	246 Å²	246	80.4 Å²	80.4	93%	0.928	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	137.5	-178.4	-68.8	-177.7	171.4	-176.9	-1.1	110.4	A627 I631	A627-R629 PolarHBondContact O-N 3.44Å; R629-I631 VanDerWaalsContact C-N 3.29Å; R629-I631 PolarHBondContact O-N 3.38Å
630	G	77.7	Confident	81.7	Confident	88 Å²	88	84.1 Å²	84.1	91%	0.907	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	2.2	173.4	0	0	0	0	0	116
631	I	77.2	Confident	81.5	Confident	74 Å²	74	86.8 Å²	86.8	38%	0.379	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-97.2	135.3	178.8	-55.3	-170.6	0	0	0	110.1	P628 R629	P628-I631 HydrophobicContact CB-CD1 3.64Å; P628-I631 HydrophobicContact CB-CG1 4.1Å; P628-I631 HydrophobicContact CG-CB 4.17Å; P628-I631 HydrophobicContact CG-CD1 3.73Å; P628-I631 HydrophobicContact CG-CG1 4.2Å; R629-I631 VanDerWaalsContact C-N 3.29Å; R629-I631 PolarHBondContact O-N 3.38Å
632	P	80	Confident	81.6	Confident	105 Å²	105	84.5 Å²	84.5	68%	0.682	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-63.4	138.2	173.5	27.3	-35	0	0	0	111.2	G634	P632-G634 PolarHBondContact O-N 3.49Å
633	K	80.9	Confident	81.8	Confident	113 Å²	113	85.7 Å²	85.7	49%	0.491	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-58.2	139.5	171.8	-66.5	-71.7	-175.1	177.6	0	110.8	K638	K633-K638 VanDerWaalsContact O-CE 3.31Å; K633-K638 WeakPolarHBondContact O-CE 3.31Å
634	G	76.1	Confident	82.2	Confident	12 Å²	12	87.3 Å²	87.3	12%	0.124	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-50.1	145.3	176	0	0	0	0	0	112.8	D45 P632 L636 V637 K638	D45-G634 VanDerWaalsContact OD1-C 3.26Å; D45-G634 WeakPolarHBondContact OD1-CA 3.35Å; P632-G634 PolarHBondContact O-N 3.49Å; G634-L636 VanDerWaalsContact C-N 3.25Å; G634-L636 PolarHBondContact O-N 3.2Å; G634-V637 PolarHBondContact O-N 3.38Å; G634-K638 PolarHBondContact O-N 3.5Å
635	K	84.5	Confident	82.5	Confident	140 Å²	140	88.9 Å²	88.9	61%	0.609	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-38	-179.7	-65.6	176.2	-175.9	171.3	0	110.9	D45 K638 Y639	D45-K635 PolarHBondContact OD1-N 3.42Å; D45-K635 PolarHBondContact OD2-N 3.02Å; K635-K638 WeakPolarHBondContact O-CB 3.21Å; K635-K638 PolarHBondContact O-N 2.75Å; K635-Y639 HydrophobicContact CB-CE2 4.18Å; K635-Y639 WeakPolarHBondContact O-CD2 3.05Å; K635-Y639 PolarHBondContact O-N 2.88Å
636	L	80.3	Confident	82.8	Confident	45 Å²	45	91.7 Å²	91.7	24%	0.236	48%	0.48	C	S	.	.	H	α-helix	trans	-61.7	-47	179.5	-177.6	69.5	0	0	0	111.8	T42 D45 L46 G634 K638 Y639 M640	T42-L636 HydrophobicContact CG2-CD2 4.41Å; D45-L636 WeakPolarHBondContact OD1-CB 3.2Å; D45-L636 PolarHBondContact OD1-N 3.36Å; L46-L636 HydrophobicContact CD1-CD1 4.36Å; L46-L636 HydrophobicContact CD1-CD2 3.46Å; L46-L636 VanDerWaalsContact CD1-CD2 3.46Å; L46-L636 HydrophobicContact CD2-CD2 4.36Å; L46-L636 HydrophobicContact CG-CD2 3.49Å; L46-L636 VanDerWaalsContact CG-CD2 3.49Å; G634-L636 VanDerWaalsContact C-N 3.25Å; G634-L636 PolarHBondContact O-N 3.2Å; L636-K638 VanDerWaalsContact C-N 3.26Å; L636-K638 PolarHBondContact O-N 3.13Å; L636-Y639 PolarHBondContact O-N 3.48Å; L636-Y639 VanDerWaalsContact O-N 3.16Å; L636-M640 HydrophobicContact CD1-CG 4.06Å; L636-M640 HydrophobicContact CG-CG 4.11Å; L636-M640 WeakPolarHBondContact O-CB 3.33Å; L636-M640 VanDerWaalsContact O-CG 3.28Å; L636-M640 WeakPolarHBondContact O-CG 3.24Å; L636-M640 PolarHBondContact O-N 2.92Å
637	V	81.7	Confident	83.3	Confident	50 Å²	50	93.7 Å²	93.7	30%	0.303	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-40.2	179	178.6	0	0	0	0	110.7	G634 M640 M641	G634-V637 PolarHBondContact O-N 3.38Å; V637-M640 PolarHBondContact O-N 2.87Å; V637-M641 WeakPolarHBondContact O-CB 3.39Å; V637-M641 PolarHBondContact O-N 3.5Å
638	K	86.1	Confident	83.6	Confident	120 Å²	120	93.4 Å²	93.4	52%	0.522	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-44.5	175.9	-67.5	177.6	-179.3	175.1	0	112	K633 G634 K635 L636 G642	K633-K638 VanDerWaalsContact O-CE 3.31Å; K633-K638 WeakPolarHBondContact O-CE 3.31Å; G634-K638 PolarHBondContact O-N 3.5Å; K635-K638 WeakPolarHBondContact O-CB 3.21Å; K635-K638 PolarHBondContact O-N 2.75Å; L636-K638 VanDerWaalsContact C-N 3.26Å; L636-K638 PolarHBondContact O-N 3.13Å; K638-G642 WeakPolarHBondContact O-CA 3.47Å; K638-G642 PolarHBondContact O-N 3.15Å
639	Y	87.7	Confident	84	Confident	160 Å²	160	94.2 Å²	94.2	63%	0.627	50%	0.495	S	S	*	.	H	α-helix	trans	-68.4	-42.6	177.2	-64.2	-43.1	0	0	0	111.9	K635 L636 M641 F643 P644	K635-Y639 HydrophobicContact CB-CE2 4.18Å; K635-Y639 WeakPolarHBondContact O-CD2 3.05Å; K635-Y639 PolarHBondContact O-N 2.88Å; L636-Y639 PolarHBondContact O-N 3.48Å; L636-Y639 VanDerWaalsContact O-N 3.16Å; Y639-M641 PolarHBondContact O-N 3.48Å; Y639-F643 WeakPolarHBondContact O-CB 3.41Å; Y639-F643 PolarHBondContact O-N 3.49Å; Y639-P644 WeakPolarHBondContact O-CD 3.28Å
640	M	84.6	Confident	84.5	Confident	133 Å²	133	85.8 Å²	85.8	66%	0.655	47%	0.471	S	S	*	.	H	α-helix	trans	-66.7	-33.3	-179.7	-71.5	-62.7	-69.4	0	0	113.2	L636 V637 P644	L636-M640 HydrophobicContact CD1-CG 4.06Å; L636-M640 HydrophobicContact CG-CG 4.11Å; L636-M640 WeakPolarHBondContact O-CB 3.33Å; L636-M640 VanDerWaalsContact O-CG 3.28Å; L636-M640 WeakPolarHBondContact O-CG 3.24Å; L636-M640 PolarHBondContact O-N 2.92Å; V637-M640 PolarHBondContact O-N 2.87Å; M640-P644 WeakPolarHBondContact O-CD 3.36Å; M640-P644 WeakPolarHBondContact O-CG 3.44Å
641	M	82.4	Confident	84.9	Confident	136 Å²	136	86.7 Å²	86.7	67%	0.67	45%	0.453	S	S	*	.	H	α-helix	trans	-87.5	-43.1	176.6	-173.1	173.8	172.2	0	0	112.1	V637 Y639 I645	V637-M641 WeakPolarHBondContact O-CB 3.39Å; V637-M641 PolarHBondContact O-N 3.5Å; Y639-M641 PolarHBondContact O-N 3.48Å; M641-I645 VanDerWaalsContact O-CD1 3.24Å; M641-I645 WeakPolarHBondContact O-CD1 3.31Å; M641-I645 WeakPolarHBondContact O-CG1 3.43Å
642	G	87	Confident	85.2	Confident	26 Å²	26	85.9 Å²	85.9	27%	0.268	45%	0.447	S	S	.	.	H	α-helix	trans	-80.7	-43.1	-173.2	0	0	0	0	0	114.3	K638 I645 I646	K638-G642 WeakPolarHBondContact O-CA 3.47Å; K638-G642 PolarHBondContact O-N 3.15Å; G642-I645 PolarHBondContact O-N 3.18Å; G642-I646 VanDerWaalsContact O-CG1 3.31Å; G642-I646 WeakPolarHBondContact O-CG1 3.45Å; G642-I646 PolarHBondContact O-N 3.35Å
643	F	90.9	Very high	85.4	Confident	126 Å²	126	84 Å²	84	55%	0.553	43%	0.431	S	S	*	.	H	α-helix	trans	-64.8	-42.6	-175.1	-171.7	-114.4	0	0	0	113	Y639 I645 I646 I647	Y639-F643 WeakPolarHBondContact O-CB 3.41Å; Y639-F643 PolarHBondContact O-N 3.49Å; F643-I645 VanDerWaalsContact C-N 3.3Å; F643-I645 PolarHBondContact O-N 3.07Å; F643-I646 PolarHBondContact O-N 3.12Å; F643-I647 HydrophobicContact CD1-CD1 3.53Å; F643-I647 HydrophobicContact CD1-CG1 4.27Å; F643-I647 HydrophobicContact CD2-CD1 4.41Å; F643-I647 HydrophobicContact CD2-CG1 4.43Å; F643-I647 HydrophobicContact CE1-CD1 3.09Å; F643-I647 HydrophobicContact CE1-CG1 4.07Å; F643-I647 HydrophobicContact CE2-CD1 4.04Å; F643-I647 HydrophobicContact CE2-CG1 4.2Å; F643-I647 HydrophobicContact CG-CD1 4.19Å; F643-I647 HydrophobicContact CG-CG1 4.46Å; F643-I647 HydrophobicContact CZ-CD1 3.39Å; F643-I647 HydrophobicContact CZ-CG1 4.04Å; F643-I647 WeakPolarHBondContact O-CB 3.43Å; F643-I647 WeakPolarHBondContact O-CG1 3.49Å; F643-I647 PolarHBondContact O-N 3.27Å
644	P	89.4	Confident	85.7	Confident	75 Å²	75	84 Å²	84	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-62.8	-36.1	174.7	-25.7	37.8	0	0	0	113	Y639 M640 G648	Y639-P644 WeakPolarHBondContact O-CD 3.28Å; M640-P644 WeakPolarHBondContact O-CD 3.36Å; M640-P644 WeakPolarHBondContact O-CG 3.44Å; P644-G648 PolarHBondContact O-N 3.19Å
645	I	85.6	Confident	86.1	Confident	67 Å²	67	86.3 Å²	86.3	34%	0.344	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-48.1	175.3	-67.4	171.1	0	0	0	110.2	M641 G642 F643 G648 V649 F972	M641-I645 VanDerWaalsContact O-CD1 3.24Å; M641-I645 WeakPolarHBondContact O-CD1 3.31Å; M641-I645 WeakPolarHBondContact O-CG1 3.43Å; G642-I645 PolarHBondContact O-N 3.18Å; F643-I645 VanDerWaalsContact C-N 3.3Å; F643-I645 PolarHBondContact O-N 3.07Å; I645-G648 PolarHBondContact O-N 3.41Å; I645-V649 WeakPolarHBondContact O-CG2 3.43Å; I645-V649 PolarHBondContact O-N 3.04Å; I645-F972 HydrophobicContact CD1-CE1 4.2Å; I645-F972 HydrophobicContact CD1-CZ 4.45Å; I645-F972 HydrophobicContact CG2-CE1 4Å; I645-F972 HydrophobicContact CG2-CE2 4.31Å; I645-F972 HydrophobicContact CG2-CZ 3.46Å; I645-F972 VanDerWaalsContact CG2-CZ 3.46Å
646	I	89.3	Confident	85.7	Confident	107 Å²	107	81.1 Å²	81.1	55%	0.549	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-48.8	178.3	-66.8	164.9	0	0	0	110.5	G642 F643 G648 V649 V650	G642-I646 VanDerWaalsContact O-CG1 3.31Å; G642-I646 WeakPolarHBondContact O-CG1 3.45Å; G642-I646 PolarHBondContact O-N 3.35Å; F643-I646 PolarHBondContact O-N 3.12Å; I646-G648 VanDerWaalsContact C-N 3.32Å; I646-G648 PolarHBondContact O-N 2.87Å; I646-V649 PolarHBondContact O-N 3.38Å; I646-V650 HydrophobicContact CG2-CG2 4.31Å; I646-V650 WeakPolarHBondContact O-CB 3.37Å; I646-V650 VanDerWaalsContact O-CG2 3.26Å; I646-V650 WeakPolarHBondContact O-CG2 3.25Å; I646-V650 PolarHBondContact O-N 3.3Å
647	I	91	Very high	85.6	Confident	65 Å²	65	82.9 Å²	82.9	33%	0.333	44%	0.435	S	S	.	.	H	α-helix	trans	-57.8	-46.2	175.8	-76.1	-177.4	0	0	0	110.7	F643 V649 V650 I651	F643-I647 HydrophobicContact CD1-CD1 3.53Å; F643-I647 HydrophobicContact CD1-CG1 4.27Å; F643-I647 HydrophobicContact CD2-CD1 4.41Å; F643-I647 HydrophobicContact CD2-CG1 4.43Å; F643-I647 HydrophobicContact CE1-CD1 3.09Å; F643-I647 HydrophobicContact CE1-CG1 4.07Å; F643-I647 HydrophobicContact CE2-CD1 4.04Å; F643-I647 HydrophobicContact CE2-CG1 4.2Å; F643-I647 HydrophobicContact CG-CD1 4.19Å; F643-I647 HydrophobicContact CG-CG1 4.46Å; F643-I647 HydrophobicContact CZ-CD1 3.39Å; F643-I647 HydrophobicContact CZ-CG1 4.04Å; F643-I647 WeakPolarHBondContact O-CB 3.43Å; F643-I647 WeakPolarHBondContact O-CG1 3.49Å; F643-I647 PolarHBondContact O-N 3.27Å; I647-V649 VanDerWaalsContact C-N 3.32Å; I647-V649 PolarHBondContact O-N 2.59Å; I647-V650 PolarHBondContact O-N 2.78Å; I647-I651 HydrophobicContact CG2-CD1 3.47Å; I647-I651 VanDerWaalsContact CG2-CD1 3.47Å; I647-I651 HydrophobicContact CG2-CG1 4.06Å; I647-I651 WeakPolarHBondContact O-CB 3.39Å; I647-I651 WeakPolarHBondContact O-CG1 3.29Å; I647-I651 PolarHBondContact O-N 2.8Å
648	G	87.2	Confident	85.6	Confident	41 Å²	41	85.4 Å²	85.4	42%	0.423	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-44.1	179.8	0	0	0	0	0	112.1	P644 I645 I646 F652	P644-G648 PolarHBondContact O-N 3.19Å; I645-G648 PolarHBondContact O-N 3.41Å; I646-G648 VanDerWaalsContact C-N 3.32Å; I646-G648 PolarHBondContact O-N 2.87Å; G648-F652 VanDerWaalsContact O-CB 3.26Å; G648-F652 WeakPolarHBondContact O-CB 3.32Å; G648-F652 PolarHBondContact O-N 3.17Å
649	V	85.4	Confident	85.1	Confident	50 Å²	50	83.3 Å²	83.3	30%	0.303	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-43.1	175.9	174.1	0	0	0	0	111.7	I645 I646 I647 F652 I653	I645-V649 WeakPolarHBondContact O-CG2 3.43Å; I645-V649 PolarHBondContact O-N 3.04Å; I646-V649 PolarHBondContact O-N 3.38Å; I647-V649 VanDerWaalsContact C-N 3.32Å; I647-V649 PolarHBondContact O-N 2.59Å; V649-F652 PolarHBondContact O-N 2.96Å; V649-I653 HydrophobicContact CG1-CD1 3.91Å; V649-I653 WeakPolarHBondContact O-CG1 3.22Å; V649-I653 PolarHBondContact O-N 3.17Å
650	V	88.3	Confident	84.3	Confident	69 Å²	69	79.2 Å²	79.2	42%	0.418	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-49	178.9	169.8	0	0	0	0	111.1	I646 I647 F652 I653 F654	I646-V650 HydrophobicContact CG2-CG2 4.31Å; I646-V650 WeakPolarHBondContact O-CB 3.37Å; I646-V650 VanDerWaalsContact O-CG2 3.26Å; I646-V650 WeakPolarHBondContact O-CG2 3.25Å; I646-V650 PolarHBondContact O-N 3.3Å; I647-V650 PolarHBondContact O-N 2.78Å; V650-F652 PolarHBondContact O-N 3.19Å; V650-I653 PolarHBondContact O-N 3.01Å; V650-F654 HydrophobicContact CG1-CD2 3.73Å; V650-F654 HydrophobicContact CG1-CE2 3.99Å; V650-F654 VanDerWaalsContact O-CD2 3.27Å; V650-F654 WeakPolarHBondContact O-CD2 3.44Å; V650-F654 PolarHBondContact O-N 3.35Å
651	I	87.5	Confident	83.8	Confident	106 Å²	106	75.9 Å²	75.9	54%	0.544	41%	0.414	S	S	.	.	H	α-helix	trans	-57.8	-42.9	175.7	-70	175.1	0	0	0	109.7	I647 I653 F654 S655	I647-I651 HydrophobicContact CG2-CD1 3.47Å; I647-I651 VanDerWaalsContact CG2-CD1 3.47Å; I647-I651 HydrophobicContact CG2-CG1 4.06Å; I647-I651 WeakPolarHBondContact O-CB 3.39Å; I647-I651 WeakPolarHBondContact O-CG1 3.29Å; I647-I651 PolarHBondContact O-N 2.8Å; I651-I653 PolarHBondContact O-N 3.18Å; I651-F654 PolarHBondContact O-N 2.99Å; I651-S655 WeakPolarHBondContact O-CA 3.19Å; I651-S655 WeakPolarHBondContact O-CB 3.39Å; I651-S655 PolarHBondContact O-N 3.02Å
652	F	83.5	Confident	83.5	Confident	57 Å²	57	73.3 Å²	73.3	25%	0.25	40%	0.402	C	S	.	.	H	α-helix	trans	-62	-43	179.7	179.8	-99.4	0	0	0	112.9	G648 V649 V650 P656 V959 I960 V963	G648-F652 VanDerWaalsContact O-CB 3.26Å; G648-F652 WeakPolarHBondContact O-CB 3.32Å; G648-F652 PolarHBondContact O-N 3.17Å; V649-F652 PolarHBondContact O-N 2.96Å; V650-F652 PolarHBondContact O-N 3.19Å; F652-P656 VanDerWaalsContact O-CD 3.27Å; F652-P656 WeakPolarHBondContact O-CD 3.49Å; F652-V959 HydrophobicContact CE2-CG1 4.14Å; F652-V959 HydrophobicContact CZ-CG1 3.78Å; F652-I960 HydrophobicContact CE1-CG1 4.41Å; F652-V963 HydrophobicContact CD1-CG1 4.12Å; F652-V963 HydrophobicContact CD2-CG1 4.03Å; F652-V963 HydrophobicContact CE1-CB 3.69Å; F652-V963 HydrophobicContact CE1-CG1 3.54Å; F652-V963 HydrophobicContact CE1-CG2 4.49Å; F652-V963 HydrophobicContact CE2-CB 3.77Å; F652-V963 HydrophobicContact CE2-CG1 3.45Å; F652-V963 VanDerWaalsContact CE2-CG1 3.45Å; F652-V963 HydrophobicContact CE2-CG2 3.78Å; F652-V963 HydrophobicContact CG-CG1 4.37Å; F652-V963 HydrophobicContact CZ-CB 3.16Å; F652-V963 HydrophobicContact CZ-CG1 3.21Å; F652-V963 HydrophobicContact CZ-CG2 3.51Å
653	I	84.7	Confident	82.5	Confident	67 Å²	67	72.8 Å²	72.8	34%	0.344	39%	0.393	S	S	.	.	H	α-helix	trans	-67.4	-42.8	178.7	-67.4	167.2	0	0	0	111.3	V649 V650 I651	V649-I653 HydrophobicContact CG1-CD1 3.91Å; V649-I653 WeakPolarHBondContact O-CG1 3.22Å; V649-I653 PolarHBondContact O-N 3.17Å; V650-I653 PolarHBondContact O-N 3.01Å; I651-I653 PolarHBondContact O-N 3.18Å
654	F	86.9	Confident	81.2	Confident	112 Å²	112	70.6 Å²	70.6	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-88.1	-20.2	-175.3	-71.5	-70.4	0	0	0	114.5	V650 I651 L657 L658	V650-F654 HydrophobicContact CG1-CD2 3.73Å; V650-F654 HydrophobicContact CG1-CE2 3.99Å; V650-F654 VanDerWaalsContact O-CD2 3.27Å; V650-F654 WeakPolarHBondContact O-CD2 3.44Å; V650-F654 PolarHBondContact O-N 3.35Å; I651-F654 PolarHBondContact O-N 2.99Å; F654-L657 HydrophobicContact CD1-CD1 4.1Å; F654-L657 WeakPolarHBondContact O-CB 3.18Å; F654-L657 PolarHBondContact O-N 3.04Å; F654-L657 VanDerWaalsContact O-N 3.09Å; F654-L658 HydrophobicContact CB-CD1 4.4Å; F654-L658 WeakPolarHBondContact O-CG 3.25Å; F654-L658 PolarHBondContact O-N 2.87Å
655	S	83.1	Confident	80.2	Confident	60 Å²	60	74 Å²	74	42%	0.42	40%	0.397	S	S	.	.	H	α-helix	trans	-56.6	-45.4	-175.9	169.4	0	0	0	0	113.1	I651 L657 L658 L659	I651-S655 WeakPolarHBondContact O-CA 3.19Å; I651-S655 WeakPolarHBondContact O-CB 3.39Å; I651-S655 PolarHBondContact O-N 3.02Å; S655-L657 PolarHBondContact O-N 3.5Å; S655-L658 PolarHBondContact O-N 3.25Å; S655-L659 VanDerWaalsContact O-CB 3.3Å; S655-L659 WeakPolarHBondContact O-CB 3.27Å; S655-L659 PolarHBondContact O-N 2.74Å
656	P	77	Confident	79.4	Confident	32 Å²	32	76.8 Å²	76.8	21%	0.208	41%	0.411	C	S	.	.	H	α-helix	trans	-64.8	-35	175.6	-24.9	35.7	0	0	0	114	F652 W660 Y956 V959	F652-P656 VanDerWaalsContact O-CD 3.27Å; F652-P656 WeakPolarHBondContact O-CD 3.49Å; P656-W660 PolarHBondContact O-N 3.25Å; P656-Y956 HydrophobicContact CB-CD2 3.78Å; P656-Y956 HydrophobicContact CB-CE2 4.26Å; P656-Y956 HydrophobicContact CG-CD2 4.3Å; P656-V959 HydrophobicContact CG-CG1 4.48Å
657	L	78.6	Confident	78.4	Confident	82 Å²	82	71.8 Å²	71.8	43%	0.429	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-44.6	177	-70.4	168.7	0	0	0	111.1	F654 S655 L659 W660 S661 Y956	F654-L657 HydrophobicContact CD1-CD1 4.1Å; F654-L657 WeakPolarHBondContact O-CB 3.18Å; F654-L657 PolarHBondContact O-N 3.04Å; F654-L657 VanDerWaalsContact O-N 3.09Å; S655-L657 PolarHBondContact O-N 3.5Å; L657-L659 VanDerWaalsContact C-N 3.32Å; L657-W660 PolarHBondContact O-N 2.84Å; L657-S661 PolarHBondContact O-N 2.96Å; L657-Y956 HydrophobicContact CD1-CE2 4.25Å; L657-Y956 HydrophobicContact CD2-CE2 4.31Å; L657-Y956 HydrophobicContact CG-CE2 3.85Å
658	L	81.6	Confident	77.6	Confident	103 Å²	103	72.6 Å²	72.6	54%	0.539	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-45.7	174.3	-73.4	170.9	0	0	0	110.5	F654 S655 W660 S661 L662	F654-L658 HydrophobicContact CB-CD1 4.4Å; F654-L658 WeakPolarHBondContact O-CG 3.25Å; F654-L658 PolarHBondContact O-N 2.87Å; S655-L658 PolarHBondContact O-N 3.25Å; L658-W660 VanDerWaalsContact C-N 3.34Å; L658-W660 PolarHBondContact O-N 3.35Å; L658-S661 PolarHBondContact O-N 3.39Å; L658-S661 PolarHBondContact O-OG 3.3Å; L658-L662 WeakPolarHBondContact O-CB 3.03Å; L658-L662 WeakPolarHBondContact O-CG 3.5Å; L658-L662 PolarHBondContact O-N 3.23Å
659	L	75.1	Confident	77	Confident	75 Å²	75	73.5 Å²	73.5	39%	0.393	39%	0.389	S	S	.	.	H	α-helix	trans	-57.5	-46.9	176.9	-172.2	70.3	0	0	0	110.9	S655 L657 S661 L662 L663	S655-L659 VanDerWaalsContact O-CB 3.3Å; S655-L659 WeakPolarHBondContact O-CB 3.27Å; S655-L659 PolarHBondContact O-N 2.74Å; L657-L659 VanDerWaalsContact C-N 3.32Å; L659-S661 PolarHBondContact O-N 3.33Å; L659-L662 PolarHBondContact O-N 3.02Å; L659-L663 HydrophobicContact CD1-CD1 4.43Å; L659-L663 HydrophobicContact CD1-CG 4.39Å; L659-L663 HydrophobicContact CD2-CD1 4.25Å; L659-L663 HydrophobicContact CG-CD1 3.75Å; L659-L663 HydrophobicContact CG-CG 4.16Å; L659-L663 VanDerWaalsContact O-CB 3.29Å; L659-L663 WeakPolarHBondContact O-CB 3.47Å; L659-L663 WeakPolarHBondContact O-CD1 3.37Å; L659-L663 WeakPolarHBondContact O-CG 3.28Å; L659-L663 PolarHBondContact O-N 2.96Å
660	W	71.1	Confident	76.6	Confident	74 Å²	74	71.7 Å²	71.7	28%	0.28	38%	0.378	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177.3	-177.7	-106.4	0	0	0	113	P656 L657 L658 L662 L663 N664 F940 V952	P656-W660 PolarHBondContact O-N 3.25Å; L657-W660 PolarHBondContact O-N 2.84Å; L658-W660 VanDerWaalsContact C-N 3.34Å; L658-W660 PolarHBondContact O-N 3.35Å; W660-L662 VanDerWaalsContact C-N 3.3Å; W660-L662 PolarHBondContact O-N 3.01Å; W660-L663 PolarHBondContact O-N 3.13Å; W660-N664 PolarHBondContact O-N 3.33Å; W660-F940 HydrophobicContact CE3-CE1 4.26Å; W660-F940 HydrophobicContact CE3-CZ 4.02Å; W660-F940 HydrophobicContact CH2-CE1 4.11Å; W660-F940 AromaticContact CH2-CE2 3.65Å; W660-F940 HydrophobicContact CH2-CE2 3.65Å; W660-F940 AromaticContact CH2-CZ 3.14Å; W660-F940 HydrophobicContact CH2-CZ 3.14Å; W660-F940 HydrophobicContact CZ2-CZ 4.16Å; W660-F940 AromaticContact CZ3-CE1 3.68Å; W660-F940 HydrophobicContact CZ3-CE1 3.68Å; W660-F940 AromaticContact CZ3-CE2 3.57Å; W660-F940 HydrophobicContact CZ3-CE2 3.57Å; W660-F940 AromaticContact CZ3-CZ 3.04Å; W660-F940 HydrophobicContact CZ3-CZ 3.04Å; W660-V952 HydrophobicContact CB-CG1 4.49Å; W660-V952 HydrophobicContact CD2-CB 4.44Å; W660-V952 HydrophobicContact CD2-CG1 3.74Å; W660-V952 HydrophobicContact CD2-CG2 3.89Å; W660-V952 HydrophobicContact CE3-CB 4.32Å; W660-V952 HydrophobicContact CE3-CG1 3.74Å; W660-V952 HydrophobicContact CE3-CG2 3.55Å; W660-V952 HydrophobicContact CG-CG1 4.06Å; W660-V952 HydrophobicContact CH2-CB 4.48Å; W660-V952 HydrophobicContact CH2-CG2 3.13Å; W660-V952 HydrophobicContact CZ2-CG2 3.53Å; W660-V952 HydrophobicContact CZ3-CB 4.33Å; W660-V952 HydrophobicContact CZ3-CG1 4.24Å; W660-V952 HydrophobicContact CZ3-CG2 3.16Å
661	S	73.8	Confident	76.2	Confident	63 Å²	63	70.7 Å²	70.7	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-38.1	179.2	71.9	0	0	0	0	112.6	L657 L658 L659	L657-S661 PolarHBondContact O-N 2.96Å; L658-S661 PolarHBondContact O-N 3.39Å; L658-S661 PolarHBondContact O-OG 3.3Å; L659-S661 PolarHBondContact O-N 3.33Å
662	L	75.8	Confident	76.1	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-76.1	-34.4	178.1	-70.6	167.2	0	0	0	111.9	L658 L659 W660 N664 Q665 I666	L658-L662 WeakPolarHBondContact O-CB 3.03Å; L658-L662 WeakPolarHBondContact O-CG 3.5Å; L658-L662 PolarHBondContact O-N 3.23Å; L659-L662 PolarHBondContact O-N 3.02Å; W660-L662 VanDerWaalsContact C-N 3.3Å; W660-L662 PolarHBondContact O-N 3.01Å; L662-N664 VanDerWaalsContact C-N 3.34Å; L662-N664 PolarHBondContact O-N 2.97Å; L662-Q665 PolarHBondContact O-N 3.24Å; L662-Q665 VanDerWaalsContact O-N 3.1Å; L662-I666 HydrophobicContact CB-CD1 4.09Å; L662-I666 WeakPolarHBondContact O-CG1 3.34Å; L662-I666 PolarHBondContact O-N 3.22Å
663	L	66.3	Low	76	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-64.1	-37.3	-177.7	-80.8	168.5	0	0	0	112.9	L659 W660 Q665 I666 G667 F940 L944 F948	L659-L663 HydrophobicContact CD1-CD1 4.43Å; L659-L663 HydrophobicContact CD1-CG 4.39Å; L659-L663 HydrophobicContact CD2-CD1 4.25Å; L659-L663 HydrophobicContact CG-CD1 3.75Å; L659-L663 HydrophobicContact CG-CG 4.16Å; L659-L663 VanDerWaalsContact O-CB 3.29Å; L659-L663 WeakPolarHBondContact O-CB 3.47Å; L659-L663 WeakPolarHBondContact O-CD1 3.37Å; L659-L663 WeakPolarHBondContact O-CG 3.28Å; L659-L663 PolarHBondContact O-N 2.96Å; W660-L663 PolarHBondContact O-N 3.13Å; L663-Q665 PolarHBondContact O-N 3.23Å; L663-I666 PolarHBondContact O-N 2.83Å; L663-G667 PolarHBondContact O-N 3.15Å; L663-F940 HydrophobicContact CB-CD1 4.01Å; L663-F940 HydrophobicContact CB-CE1 3.83Å; L663-F940 HydrophobicContact CD1-CD1 4.41Å; L663-F940 HydrophobicContact CD2-CD1 4.43Å; L663-L944 HydrophobicContact CD1-CD1 3.8Å; L663-L944 HydrophobicContact CD2-CD1 3.27Å; L663-L944 HydrophobicContact CG-CD1 4.16Å; L663-F948 HydrophobicContact CD1-CE2 4.08Å
664	N	63.9	Low	76.2	Confident	80 Å²	80	68.8 Å²	68.8	43%	0.428	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-25.1	176	-74.7	-5.4	0	0	0	112.6	W660 L662	W660-N664 PolarHBondContact O-N 3.33Å; L662-N664 VanDerWaalsContact C-N 3.34Å; L662-N664 PolarHBondContact O-N 2.97Å
665	Q	67.5	Low	76.5	Confident	147 Å²	147	63.5 Å²	63.5	69%	0.687	33%	0.334	S	S	*	.	H	α-helix	trans	-88.6	-35.7	177.4	-67.1	-175.3	-26.7	0	0	112.9	L662 L663	L662-Q665 PolarHBondContact O-N 3.24Å; L662-Q665 VanDerWaalsContact O-N 3.1Å; L663-Q665 PolarHBondContact O-N 3.23Å
666	I	69.1	Low	77	Confident	124 Å²	124	61 Å²	61	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-91.1	-10	-174.2	-60.6	164.7	0	0	0	112.1	L662 L663	L662-I666 HydrophobicContact CB-CD1 4.09Å; L662-I666 WeakPolarHBondContact O-CG1 3.34Å; L662-I666 PolarHBondContact O-N 3.22Å; L663-I666 PolarHBondContact O-N 2.83Å
667	G	69.2	Low	77.9	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.031	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-51.9	154.3	-177.1	0	0	0	0	0	114.2	L663 R938 A939	L663-G667 PolarHBondContact O-N 3.15Å; G667-R938 WeakPolarHBondContact O-CD 3.26Å; G667-R938 PolarHBondContact O-NH1 2.89Å; G667-A939 CarbonylContact C-O 3.5Å; G667-A939 VanDerWaalsContact CA-O 3.28Å; G667-A939 WeakPolarHBondContact CA-O 3.4Å
668	T	73.3	Confident	78.7	Confident	82 Å²	82	60.7 Å²	60.7	50%	0.503	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-82.3	140.7	179	50.8	0	0	0	0	110.4	S670 A939	T668-S670 PolarHBondContact O-N 2.92Å; T668-A939 PolarHBondContact N-O 3.25Å; T668-A939 PolarHBondContact O-N 3.36Å; T668-A939 PolarHBondContact OG1-O 2.94Å
669	I	75.5	Confident	79.3	Confident	59 Å²	59	55.8 Å²	55.8	30%	0.303	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-71.6	121.7	176.7	-60.7	158.8	0	0	0	108.4	M671 E745	I669-M671 HydrophobicContact CG2-CE 3.94Å; I669-M671 HydrophobicContact CG2-CG 4.07Å; I669-E745 HydrophobicContact CD1-CB 3.79Å; I669-E745 WeakPolarHBondContact CD1-OE2 3.27Å
670	S	76.8	Confident	80.1	Confident	13 Å²	13	52.9 Å²	52.9	9%	0.091	27%	0.266	C	S	.	.			trans	-119.3	92.1	175.9	62	0	0	0	0	109.6	T668 R790	T668-S670 PolarHBondContact O-N 2.92Å; S670-R790 PolarHBondContact O-NE 3.48Å
671	M	79.8	Confident	81.2	Confident	47 Å²	47	49.4 Å²	49.4	23%	0.232	25%	0.252	C	S	.	.			trans	-71.9	141.6	178.4	-70.8	176.4	-178.9	0	0	110.8	I669 M704 E745 P791	I669-M671 HydrophobicContact CG2-CE 3.94Å; I669-M671 HydrophobicContact CG2-CG 4.07Å; M671-M704 HydrophobicContact CE-CE 3.23Å; M671-M704 HydrophobicContact CE-CG 3.89Å; M671-M704 HydrophobicContact CE-SD 3.49Å; M671-M704 WeakPolarHBondContact CE-SD 3.48Å; M671-M704 HydrophobicContact SD-CE 3.55Å; M671-M704 VanDerWaalsContact SD-CE 3.55Å; M671-M704 HydrophobicContact SD-SD 4.47Å; M671-E745 WeakPolarHBondContact CE-O 3.34Å; M671-P791 VanDerWaalsContact O-CD 3.24Å; M671-P791 WeakPolarHBondContact O-CD 2.92Å
672	P	85.2	Confident	81.9	Confident	6 Å²	6	50 Å²	50	4%	0.039	25%	0.248	C	C	.	.			trans	-63.2	137.7	173.3	29.8	-36.1	0	0	0	110.3	V675 L748 F788 T789 R790 I936	P672-V675 HydrophobicContact CB-CG2 4.29Å; P672-V675 HydrophobicContact CG-CG2 4.26Å; P672-L748 HydrophobicContact CG-CD2 3.35Å; P672-F788 HydrophobicContact CB-CB 4.5Å; P672-F788 HydrophobicContact CB-CD1 4.01Å; P672-F788 HydrophobicContact CG-CD1 3.9Å; P672-F788 HydrophobicContact CG-CE1 4.44Å; P672-T789 CarbonylContact C-O 3.58Å; P672-T789 WeakPolarHBondContact CA-O 3.48Å; P672-T789 WeakPolarHBondContact CB-O 3.35Å; P672-R790 HydrophobicContact CB-CG 4.03Å; P672-I936 VanDerWaalsContact CD-CD1 3.43Å; P672-I936 HydrophobicContact CG-CD1 4.23Å
673	E	82.5	Confident	82.5	Confident	120 Å²	120	49.6 Å²	49.6	56%	0.561	26%	0.264	S	S	*	.	S	Bend	trans	-75.8	-36.7	177.3	-175.9	-179.5	178.2	0	0	111.1	T789	E673-T789 PolarHBondContact N-O 3.09Å
674	K	88.6	Confident	83.6	Confident	65 Å²	65	51 Å²	51	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.8	179.7	59.3	174	175.1	179.8	0	111.7	E691 A692 Q693 T789	K674-E691 HydrophobicContact CB-CG 4.17Å; K674-E691 WeakPolarHBondContact CB-OE1 3.44Å; K674-E691 HydrophobicContact CD-CG 4.42Å; K674-E691 WeakPolarHBondContact CD-OE1 3.16Å; K674-E691 IonicContact NZ-OE1 2.78Å; K674-A692 WeakPolarHBondContact CA-O 3.17Å; K674-Q693 HydrophobicContact CB-CG 4.2Å; K674-T789 HydrophobicContact CG-CG2 4.14Å; K674-T789 PolarHBondContact O-N 3.41Å
675	V	92.3	Very high	85	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.8	174.7	-169.5	0	0	0	0	108.8	P672 E691 A692 L702 V750 F752 L786 E787 F788	P672-V675 HydrophobicContact CB-CG2 4.29Å; P672-V675 HydrophobicContact CG-CG2 4.26Å; V675-E691 WeakPolarHBondContact O-CA 3.38Å; V675-A692 PolarHBondContact N-O 2.92Å; V675-A692 PolarHBondContact O-N 3.34Å; V675-L702 HydrophobicContact CB-CD2 4.43Å; V675-L702 HydrophobicContact CG2-CD2 3.72Å; V675-V750 HydrophobicContact CB-CG1 3.9Å; V675-V750 HydrophobicContact CG1-CG1 4.05Å; V675-V750 HydrophobicContact CG2-CG1 4.2Å; V675-V750 HydrophobicContact CG2-CG2 4.07Å; V675-F752 HydrophobicContact CB-CE1 4.31Å; V675-F752 HydrophobicContact CB-CZ 4.31Å; V675-F752 HydrophobicContact CG1-CE1 4.09Å; V675-F752 HydrophobicContact CG1-CZ 3.69Å; V675-F752 WeakPolarHBondContact O-CE1 3.14Å; V675-L786 HydrophobicContact CG1-CD1 3.74Å; V675-E787 CarbonylContact C-O 3.58Å; V675-E787 VanDerWaalsContact CA-O 3.31Å; V675-E787 WeakPolarHBondContact CA-O 3.36Å; V675-F788 HydrophobicContact CB-CD1 4.41Å; V675-F788 HydrophobicContact CB-CE1 4.46Å; V675-F788 HydrophobicContact CG1-CD1 4.02Å; V675-F788 HydrophobicContact CG1-CD2 3.98Å; V675-F788 HydrophobicContact CG1-CE1 3.91Å; V675-F788 HydrophobicContact CG1-CE2 3.89Å; V675-F788 HydrophobicContact CG1-CG 4.06Å; V675-F788 HydrophobicContact CG1-CZ 3.85Å; V675-F788 HydrophobicContact CG2-CD1 3.49Å; V675-F788 VanDerWaalsContact CG2-CD1 3.49Å; V675-F788 HydrophobicContact CG2-CE1 3.62Å; V675-F788 HydrophobicContact CG2-CG 4.16Å; V675-F788 HydrophobicContact CG2-CZ 4.39Å
676	T	94.2	Very high	86.1	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.7	-176.9	-50.7	0	0	0	0	109.8	R678 M690 L786 E787	T676-R678 HydrophobicContact CG2-CG 4.11Å; T676-M690 WeakPolarHBondContact CA-O 3.26Å; T676-L786 WeakPolarHBondContact O-CA 3.28Å; T676-E787 PolarHBondContact N-O 2.88Å; T676-E787 PolarHBondContact O-N 3.34Å
677	L	95	Very high	87.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.7	172.3	176.3	64.3	0	0	0	109.7	Y688 E689 M690 F752 V784 L786 I838 L930	L677-Y688 HydrophobicContact CD2-CE1 3.94Å; L677-Y688 HydrophobicContact CG-CE1 4.19Å; L677-E689 WeakPolarHBondContact O-CA 3.35Å; L677-M690 PolarHBondContact N-O 3.48Å; L677-M690 PolarHBondContact O-N 3.17Å; L677-F752 HydrophobicContact CB-CD1 3.85Å; L677-F752 HydrophobicContact CB-CD2 4.34Å; L677-F752 HydrophobicContact CB-CE1 3.62Å; L677-F752 HydrophobicContact CB-CE2 4.14Å; L677-F752 HydrophobicContact CB-CG 4.2Å; L677-F752 HydrophobicContact CB-CZ 3.78Å; L677-F752 HydrophobicContact CD2-CD2 3.95Å; L677-F752 HydrophobicContact CD2-CE2 4.2Å; L677-F752 HydrophobicContact CD2-CG 4.19Å; L677-V784 HydrophobicContact CD1-CG1 3.99Å; L677-L786 HydrophobicContact CB-CD1 4.34Å; L677-L786 HydrophobicContact CD1-CD1 4.38Å; L677-I838 HydrophobicContact CD1-CD1 3.72Å; L677-I838 HydrophobicContact CD2-CD1 3.78Å; L677-I838 HydrophobicContact CG-CD1 4.44Å; L677-L930 HydrophobicContact CD2-CD2 3.23Å; L677-L930 HydrophobicContact CD2-CG 4.12Å
678	R	95.1	Very high	88.4	Confident	107 Å²	107	37.6 Å²	37.6	40%	0.404	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.6	176.1	-52	174.2	163.5	165.2	-5.6	110.8	T676 Y688 E689 V784 S785	T676-R678 HydrophobicContact CG2-CG 4.11Å; R678-Y688 CarbonylContact C-O 3.57Å; R678-Y688 WeakPolarHBondContact CA-O 3.38Å; R678-E689 HydrophobicContact CG-CG 4.11Å; R678-E689 IonicContact CZ-OE1 3.4Å; R678-E689 IonicContact NE-OE1 3.81Å; R678-E689 PolarHBondContact NE-OE1 3.45Å; R678-E689 IonicContact NH2-OE1 2.72Å; R678-E689 PolarHBondContact NH2-OE1 2.91Å; R678-V784 CarbonylContact O-C 3.53Å; R678-V784 WeakPolarHBondContact O-CA 3.36Å; R678-S785 WeakPolarHBondContact CB-OG 3.29Å; R678-S785 PolarHBondContact N-O 3.42Å; R678-S785 PolarHBondContact O-N 3.2Å
679	I	94.8	Very high	89.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.1	175.1	-55.7	163.6	0	0	0	107.2	P686 L687 Y688 E783 V784 I834 L886 L888 A903	I679-P686 CarbonylContact O-C 3.55Å; I679-P686 WeakPolarHBondContact O-CA 3.36Å; I679-L687 PolarHBondContact O-N 3.22Å; I679-Y688 HydrophobicContact CD1-CD1 3.77Å; I679-Y688 HydrophobicContact CD1-CG 4.19Å; I679-Y688 HydrophobicContact CG1-CD1 4.2Å; I679-Y688 PolarHBondContact N-O 2.86Å; I679-Y688 PolarHBondContact O-N 3.43Å; I679-E783 WeakPolarHBondContact CA-O 3.27Å; I679-V784 HydrophobicContact CG1-CG1 4.35Å; I679-V784 HydrophobicContact CG1-CG2 4.35Å; I679-V784 HydrophobicContact CG2-CG2 4.28Å; I679-I834 HydrophobicContact CG2-CD1 3.68Å; I679-L886 HydrophobicContact CD1-CD1 3.55Å; I679-L886 HydrophobicContact CG1-CD1 4.18Å; I679-L888 HydrophobicContact CD1-CD2 4.08Å; I679-L888 HydrophobicContact CG2-CD1 4.02Å; I679-A903 HydrophobicContact CD1-CB 4.48Å
680	S	93.2	Very high	90.3	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	165.3	-177.4	74.2	0	0	0	0	111.8	F782 E783	S680-F782 CarbonylContact O-C 3.42Å; S680-F782 WeakPolarHBondContact O-CA 3.46Å; S680-E783 PolarHBondContact N-O 2.88Å; S680-E783 PolarHBondContact O-N 2.94Å
681	I	92.3	Very high	91	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.8	164.2	-67	170	0	0	0	106.4	G683 Y684 L687 M770 V780 F782 L824	I681-G683 PolarHBondContact O-N 3.39Å; I681-G683 VanDerWaalsContact O-N 3.13Å; I681-Y684 HydrophobicContact CB-CD2 4.42Å; I681-Y684 HydrophobicContact CG2-CD2 4.03Å; I681-Y684 PolarHBondContact O-N 2.97Å; I681-L687 HydrophobicContact CD1-CD1 4.14Å; I681-L687 HydrophobicContact CG1-CD1 4.06Å; I681-M770 HydrophobicContact CB-CE 4.26Å; I681-M770 HydrophobicContact CD1-CE 4.24Å; I681-M770 HydrophobicContact CD1-CG 4.26Å; I681-M770 HydrophobicContact CD1-SD 3.63Å; I681-V780 HydrophobicContact CG2-CG1 3.54Å; I681-F782 HydrophobicContact CD1-CE1 3.94Å; I681-F782 HydrophobicContact CG1-CD1 3.68Å; I681-F782 HydrophobicContact CG1-CE1 3.54Å; I681-L824 HydrophobicContact CD1-CD1 4.27Å; I681-L824 HydrophobicContact CD1-CD2 4.4Å
682	E	89.9	Confident	91.5	Very high	75 Å²	75	31.5 Å²	31.5	35%	0.35	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	117.9	-173.9	-172.2	-175.5	167.7	0	0	112.5	N781	E682-N781 HydrophobicContact CB-CB 4.48Å; E682-N781 WeakPolarHBondContact CB-O 3.47Å; E682-N781 PolarHBondContact N-O 2.95Å; E682-N781 WeakPolarHBondContact OE2-CB 3.32Å; E682-N781 PolarHBondContact OE2-ND2 3.01Å
683	G	87	Confident	91.3	Very high	75 Å²	75	36.1 Å²	36.1	77%	0.773	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	7.2	-179.8	0	0	0	0	0	115.9	I681	I681-G683 PolarHBondContact O-N 3.39Å; I681-G683 VanDerWaalsContact O-N 3.13Å
684	Y	91.4	Very high	90.5	Very high	46 Å²	46	31.1 Å²	31.1	18%	0.18	17%	0.17	C	C	.	.	S	Bend	trans	-129.3	162.5	-179.4	-65.1	-81.7	0	0	0	112.7	I681 S766 A769 M770 K773	I681-Y684 HydrophobicContact CB-CD2 4.42Å; I681-Y684 HydrophobicContact CG2-CD2 4.03Å; I681-Y684 PolarHBondContact O-N 2.97Å; Y684-S766 VanDerWaalsContact CE1-O 3.32Å; Y684-S766 WeakPolarHBondContact CE1-O 3.41Å; Y684-A769 VanDerWaalsContact OH-C 3.32Å; Y684-A769 PolarHBondContact OH-O 3.47Å; Y684-M770 HydrophobicContact CD1-CB 4.11Å; Y684-M770 HydrophobicContact CD1-CE 3.69Å; Y684-M770 HydrophobicContact CD2-CB 4.32Å; Y684-M770 HydrophobicContact CD2-CE 3.67Å; Y684-M770 HydrophobicContact CD2-CG 4.13Å; Y684-M770 HydrophobicContact CE1-CB 3.76Å; Y684-M770 HydrophobicContact CE1-CE 4.47Å; Y684-M770 HydrophobicContact CE2-CB 3.96Å; Y684-M770 HydrophobicContact CE2-CE 4.44Å; Y684-M770 HydrophobicContact CE2-CG 4.04Å; Y684-M770 HydrophobicContact CG-CB 4.39Å; Y684-M770 HydrophobicContact CG-CE 3.22Å; Y684-M770 HydrophobicContact CG-CG 4.42Å; Y684-M770 WeakPolarHBondContact OH-CA 3.37Å; Y684-M770 PolarHBondContact OH-N 3.46Å; Y684-K773 HydrophobicContact CE2-CD 4.09Å
685	P	91.6	Very high	88.8	Confident	39 Å²	39	32.7 Å²	32.7	25%	0.253	19%	0.19	S	C	.	.			trans	-57.6	149.5	176.8	-23.6	33.8	0	0	0	113	L687 P761	P685-L687 PolarHBondContact O-N 3.02Å; P685-P761 HydrophobicContact CB-CG 4.06Å
686	P	92.1	Very high	86.7	Confident	31 Å²	31	38.6 Å²	38.6	20%	0.201	22%	0.222	C	C	.	.			trans	-61.1	134.1	-176.1	26.3	-34.1	0	0	0	111.2	I679 E689	I679-P686 CarbonylContact O-C 3.55Å; I679-P686 WeakPolarHBondContact O-CA 3.36Å; P686-E689 HydrophobicContact CB-CB 4.47Å; P686-E689 HydrophobicContact CG-CB 4.41Å
687	L	92.3	Very high	84.4	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.261	C	S	.	.	S	Bend	trans	-69.1	-44.9	171.4	-62.2	172.2	0	0	0	109.5	I679 I681 P685 W760 F782 L824 I832 L888 W901	I679-L687 PolarHBondContact O-N 3.22Å; I681-L687 HydrophobicContact CD1-CD1 4.14Å; I681-L687 HydrophobicContact CG1-CD1 4.06Å; P685-L687 PolarHBondContact O-N 3.02Å; L687-W760 HydrophobicContact CD2-CD2 4.44Å; L687-W760 HydrophobicContact CD2-CH2 4.48Å; L687-W760 HydrophobicContact CD2-CZ2 3.69Å; L687-F782 HydrophobicContact CD1-CE1 4.39Å; L687-L824 HydrophobicContact CD2-CD2 4.15Å; L687-I832 HydrophobicContact CD1-CD1 4.47Å; L687-L888 HydrophobicContact CB-CD1 4.23Å; L687-L888 HydrophobicContact CD1-CD1 3.88Å; L687-W901 HydrophobicContact CB-CD2 4.46Å; L687-W901 HydrophobicContact CB-CG 4.23Å; L687-W901 HydrophobicContact CD2-CZ2 3.93Å; L687-W901 WeakPolarHBondContact O-CB 3.33Å
688	Y	94.3	Very high	82.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.6	178.8	171.4	-86.7	0	0	0	109.3	L677 R678 I679 M690 R753 P754 A903	L677-Y688 HydrophobicContact CD2-CE1 3.94Å; L677-Y688 HydrophobicContact CG-CE1 4.19Å; R678-Y688 CarbonylContact C-O 3.57Å; R678-Y688 WeakPolarHBondContact CA-O 3.38Å; I679-Y688 HydrophobicContact CD1-CD1 3.77Å; I679-Y688 HydrophobicContact CD1-CG 4.19Å; I679-Y688 HydrophobicContact CG1-CD1 4.2Å; I679-Y688 PolarHBondContact N-O 2.86Å; I679-Y688 PolarHBondContact O-N 3.43Å; Y688-M690 HydrophobicContact CE1-CB 3.77Å; Y688-M690 HydrophobicContact CE2-CB 4.38Å; Y688-M690 VanDerWaalsContact OH-CB 3.24Å; Y688-M690 WeakPolarHBondContact OH-CB 3.19Å; Y688-R753 PolarHBondContact OH-O 2.66Å; Y688-P754 WeakPolarHBondContact CE2-O 3.17Å; Y688-A903 HydrophobicContact CD1-CB 4.46Å; Y688-A903 HydrophobicContact CD2-CB 3.77Å; Y688-A903 HydrophobicContact CE1-CB 4.5Å; Y688-A903 HydrophobicContact CE2-CB 3.82Å; Y688-A903 HydrophobicContact CG-CB 4.1Å
689	E	94	Very high	80.4	Confident	34 Å²	34	53.6 Å²	53.6	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.2	173.3	177.6	162.5	-157.7	0	0	108.7	L677 R678 P686 S756 E757 I758	L677-E689 WeakPolarHBondContact O-CA 3.35Å; R678-E689 HydrophobicContact CG-CG 4.11Å; R678-E689 IonicContact CZ-OE1 3.4Å; R678-E689 IonicContact NE-OE1 3.81Å; R678-E689 PolarHBondContact NE-OE1 3.45Å; R678-E689 IonicContact NH2-OE1 2.72Å; R678-E689 PolarHBondContact NH2-OE1 2.91Å; P686-E689 HydrophobicContact CB-CB 4.47Å; P686-E689 HydrophobicContact CG-CB 4.41Å; E689-S756 PolarHBondContact N-OG 2.82Å; E689-S756 PolarHBondContact O-OG 2.76Å; E689-E757 WeakPolarHBondContact O-CB 3.29Å; E689-E757 PolarHBondContact O-N 3.42Å; E689-I758 HydrophobicContact CG-CD1 4.41Å
690	M	93.1	Very high	79.2	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	129.8	177.7	176.6	57.2	57.1	0	0	110.3	T676 L677 Y688 F752 R753 E755 E757	T676-M690 WeakPolarHBondContact CA-O 3.26Å; L677-M690 PolarHBondContact N-O 3.48Å; L677-M690 PolarHBondContact O-N 3.17Å; Y688-M690 HydrophobicContact CE1-CB 3.77Å; Y688-M690 HydrophobicContact CE2-CB 4.38Å; Y688-M690 VanDerWaalsContact OH-CB 3.24Å; Y688-M690 WeakPolarHBondContact OH-CB 3.19Å; M690-F752 HydrophobicContact CB-CB 4.43Å; M690-F752 HydrophobicContact CB-CD1 4.36Å; M690-F752 HydrophobicContact CG-CB 3.88Å; M690-F752 HydrophobicContact CG-CD1 4.01Å; M690-F752 HydrophobicContact CG-CG 4.46Å; M690-R753 HydrophobicContact CE-CB 3.57Å; M690-R753 HydrophobicContact CE-CG 4.49Å; M690-R753 HydrophobicContact SD-CB 3.94Å; M690-R753 HydrophobicContact SD-CG 4.4Å; M690-E755 WeakPolarHBondContact CE-O 3.36Å; M690-E757 HydrophobicContact CE-CB 3.8Å; M690-E757 HydrophobicContact SD-CB 4.24Å
691	E	92.2	Very high	78.6	Confident	38 Å²	38	57.3 Å²	57.3	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.6	169	-164.2	173.7	139	0	0	110.3	K674 V675 Q693 E757	K674-E691 HydrophobicContact CB-CG 4.17Å; K674-E691 WeakPolarHBondContact CB-OE1 3.44Å; K674-E691 HydrophobicContact CD-CG 4.42Å; K674-E691 WeakPolarHBondContact CD-OE1 3.16Å; K674-E691 IonicContact NZ-OE1 2.78Å; V675-E691 WeakPolarHBondContact O-CA 3.38Å; E691-Q693 HydrophobicContact CG-CG 3.97Å; E691-Q693 PolarHBondContact OE1-NE2 3.42Å; E691-E757 PolarHBondContact N-OE2 3.02Å
692	A	89.6	Confident	78.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.9	169.8	0	0	0	0	0	108.9	K674 V675 E701 L702 V750 F752	K674-A692 WeakPolarHBondContact CA-O 3.17Å; V675-A692 PolarHBondContact N-O 2.92Å; V675-A692 PolarHBondContact O-N 3.34Å; A692-E701 WeakPolarHBondContact CA-OE2 3.38Å; A692-E701 HydrophobicContact CB-CB 4.24Å; A692-L702 HydrophobicContact CB-CD2 4.29Å; A692-V750 HydrophobicContact CB-CG1 3.89Å; A692-F752 HydrophobicContact CB-CD1 3.96Å; A692-F752 HydrophobicContact CB-CE1 4.02Å
693	Q	83	Confident	78	Confident	102 Å²	102	55.4 Å²	55.4	48%	0.477	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	159.3	-178.1	-65.6	-175.5	-8.2	0	0	111.8	K674 E691 E701	K674-Q693 HydrophobicContact CB-CG 4.2Å; E691-Q693 HydrophobicContact CG-CG 3.97Å; E691-Q693 PolarHBondContact OE1-NE2 3.42Å; Q693-E701 PolarHBondContact N-OE2 3.42Å
694	G	63.9	Low	78	Confident	15 Å²	15	56.5 Å²	56.5	16%	0.155	31%	0.311	C	S	.	.			trans	117	103.7	166.5	0	0	0	0	0	113.2	N696 L702	G694-N696 VanDerWaalsContact C-N 3.27Å; G694-L702 WeakPolarHBondContact O-CB 3.42Å
695	S	54.4	Low	77.9	Confident	99 Å²	99	54.5 Å²	54.5	69%	0.692	30%	0.303	S	S	*	.			trans	-77.9	-12.8	168.3	178.4	0	0	0	0	112.9
696	N	47.5	Very low	77.8	Confident	124 Å²	124	59.2 Å²	59.2	66%	0.663	32%	0.32	S	S	*	.	S	Bend	trans	-84.6	136.7	-174.2	-74.4	-16	0	0	0	110.6	G694 D698 N699	G694-N696 VanDerWaalsContact C-N 3.27Å; N696-D698 PolarHBondContact O-N 2.97Å; N696-N699 PolarHBondContact O-N 3.31Å
697	H	46.1	Very low	77.7	Confident	191 Å²	191	61.5 Å²	61.5	88%	0.884	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-13.9	-175.1	-162.4	-78.8	0	0	0	115.3
698	D	49.4	Very low	77.6	Confident	147 Å²	147	67.4 Å²	67.4	79%	0.786	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.2	-178.8	-63.2	-21.8	0	0	0	113.7	N696	N696-D698 PolarHBondContact O-N 2.97Å
699	N	57.3	Low	77.4	Confident	92 Å²	92	70 Å²	70	49%	0.492	38%	0.378	S	S	.	.			trans	-98.3	107.5	179.2	-69.3	-7.3	0	0	0	110	N696 E701	N696-N699 PolarHBondContact O-N 3.31Å; N699-E701 PolarHBondContact O-N 3.31Å
700	A	68.2	Low	77.2	Confident	59 Å²	59	69.8 Å²	69.8	49%	0.488	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	0.2	-174.4	0	0	0	0	0	115.3	R751	A700-R751 WeakPolarHBondContact O-CD 3.27Å; A700-R751 PolarHBondContact O-NH1 3.25Å
701	E	81.3	Confident	77.1	Confident	32 Å²	32	72.4 Å²	72.4	15%	0.15	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-40.4	-176.2	-62.8	-169.5	162.5	0	0	112.7	A692 Q693 N699 V750 R751 R753	A692-E701 WeakPolarHBondContact CA-OE2 3.38Å; A692-E701 HydrophobicContact CB-CB 4.24Å; Q693-E701 PolarHBondContact N-OE2 3.42Å; N699-E701 PolarHBondContact O-N 3.31Å; E701-V750 CarbonylContact O-C 3.44Å; E701-R751 PolarHBondContact O-N 2.86Å; E701-R753 WeakPolarHBondContact OE1-CD 3.41Å; E701-R753 IonicContact OE1-CZ 2.73Å; E701-R753 IonicContact OE1-NE 3.68Å; E701-R753 PolarHBondContact OE1-NE 3.34Å
702	L	85.8	Confident	77	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	94.9	173.9	-61.9	170	0	0	0	108.6	V675 A692 G694 L748 V750	V675-L702 HydrophobicContact CB-CD2 4.43Å; V675-L702 HydrophobicContact CG2-CD2 3.72Å; A692-L702 HydrophobicContact CB-CD2 4.29Å; G694-L702 WeakPolarHBondContact O-CB 3.42Å; L702-L748 HydrophobicContact CB-CD1 4.21Å; L702-L748 HydrophobicContact CD2-CD2 4.03Å; L702-V750 HydrophobicContact CD2-CB 4.36Å; L702-V750 HydrophobicContact CD2-CG1 3.95Å; L702-V750 HydrophobicContact CD2-CG2 4Å
703	G	84	Confident	77	Confident	17 Å²	17	73.6 Å²	73.6	18%	0.175	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.9	-177.9	0	0	0	0	0	112.3	I749	G703-I749 PolarHBondContact N-O 3.46Å; G703-I749 WeakPolarHBondContact O-CA 3.28Å; G703-I749 WeakPolarHBondContact O-CB 3.45Å; G703-I749 PolarHBondContact O-N 3.33Å
704	M	86.9	Confident	77.3	Confident	99 Å²	99	71.3 Å²	71.3	49%	0.488	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	148.6	170.1	-56.2	-177.8	-154.4	0	0	110.6	M671 K706	M671-M704 HydrophobicContact CE-CE 3.23Å; M671-M704 HydrophobicContact CE-CG 3.89Å; M671-M704 HydrophobicContact CE-SD 3.49Å; M671-M704 WeakPolarHBondContact CE-SD 3.48Å; M671-M704 HydrophobicContact SD-CE 3.55Å; M671-M704 VanDerWaalsContact SD-CE 3.55Å; M671-M704 HydrophobicContact SD-SD 4.47Å; M704-K706 PolarHBondContact O-N 2.89Å
705	I	88.8	Confident	78.5	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.015	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-63.4	136	173.4	-163.9	165.4	0	0	0	109.8	Q709 L710 I747 I749 I917	I705-Q709 HydrophobicContact CD1-CB 4.16Å; I705-Q709 HydrophobicContact CG1-CB 3.68Å; I705-L710 HydrophobicContact CD1-CB 4.09Å; I705-L710 HydrophobicContact CD1-CD1 4.39Å; I705-L710 HydrophobicContact CG1-CB 4.33Å; I705-L710 HydrophobicContact CG2-CB 4.2Å; I705-I747 HydrophobicContact CB-CB 4.2Å; I705-I747 HydrophobicContact CB-CG2 3.95Å; I705-I747 HydrophobicContact CD1-CG2 4.12Å; I705-I747 HydrophobicContact CG2-CB 3.61Å; I705-I747 HydrophobicContact CG2-CD1 4.3Å; I705-I747 HydrophobicContact CG2-CG1 4.49Å; I705-I747 HydrophobicContact CG2-CG2 3.88Å; I705-I747 PolarHBondContact N-O 3.35Å; I705-I749 HydrophobicContact CB-CD1 4.33Å; I705-I749 HydrophobicContact CB-CG1 4.48Å; I705-I749 HydrophobicContact CG1-CD1 4.24Å; I705-I917 HydrophobicContact CD1-CD1 3.68Å; I705-I917 HydrophobicContact CG1-CD1 4.41Å
706	K	89.1	Confident	80.1	Confident	138 Å²	138	71.7 Å²	71.7	60%	0.6	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-72.8	147.2	173.3	-66.2	-177.2	179.1	-177.9	0	110	M704 D708 Q709 L710	M704-K706 PolarHBondContact O-N 2.89Å; K706-D708 PolarHBondContact O-N 2.98Å; K706-D708 VanDerWaalsContact O-N 3.15Å; K706-Q709 HydrophobicContact CB-CB 4.44Å; K706-Q709 HydrophobicContact CB-CG 4.15Å; K706-Q709 VanDerWaalsContact N-OE1 3.16Å; K706-Q709 WeakPolarHBondContact O-CB 3.26Å; K706-Q709 PolarHBondContact O-N 2.99Å; K706-L710 PolarHBondContact O-N 3.3Å
707	P	90.1	Very high	82	Confident	79 Å²	79	65.8 Å²	65.8	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-51.5	-39.8	176.3	-28.6	35.5	0	0	0	113.4	Q709 L710 A711	P707-Q709 PolarHBondContact O-N 3Å; P707-L710 PolarHBondContact O-N 3.02Å; P707-A711 WeakPolarHBondContact O-CB 3.24Å; P707-A711 PolarHBondContact O-N 3.4Å
708	D	90.2	Very high	84	Confident	126 Å²	126	59.5 Å²	59.5	67%	0.674	34%	0.337	S	S	*	.	H	α-helix	trans	-66.4	-36.7	178.5	-56.3	-27.6	0	0	0	112.9	K706 S712	K706-D708 PolarHBondContact O-N 2.98Å; K706-D708 VanDerWaalsContact O-N 3.15Å; D708-S712 WeakPolarHBondContact O-CB 3.31Å; D708-S712 PolarHBondContact O-N 3.39Å; D708-S712 PolarHBondContact O-OG 3.29Å
709	Q	90.2	Very high	85.7	Confident	53 Å²	53	57.2 Å²	57.2	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-41.3	177	-69	176.7	-40.6	0	0	110.6	I705 K706 P707 S712 L713	I705-Q709 HydrophobicContact CD1-CB 4.16Å; I705-Q709 HydrophobicContact CG1-CB 3.68Å; K706-Q709 HydrophobicContact CB-CB 4.44Å; K706-Q709 HydrophobicContact CB-CG 4.15Å; K706-Q709 VanDerWaalsContact N-OE1 3.16Å; K706-Q709 WeakPolarHBondContact O-CB 3.26Å; K706-Q709 PolarHBondContact O-N 2.99Å; P707-Q709 PolarHBondContact O-N 3Å; Q709-S712 PolarHBondContact O-N 3.24Å; Q709-L713 WeakPolarHBondContact O-CB 3.48Å; Q709-L713 PolarHBondContact O-N 3.27Å
710	L	90.4	Very high	86.8	Confident	30 Å²	30	53.9 Å²	53.9	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-42.5	175.2	-178.9	59.1	0	0	0	111.5	I705 K706 P707 S712 L713 N714 L739 I747	I705-L710 HydrophobicContact CD1-CB 4.09Å; I705-L710 HydrophobicContact CD1-CD1 4.39Å; I705-L710 HydrophobicContact CG1-CB 4.33Å; I705-L710 HydrophobicContact CG2-CB 4.2Å; K706-L710 PolarHBondContact O-N 3.3Å; P707-L710 PolarHBondContact O-N 3.02Å; L710-S712 VanDerWaalsContact C-N 3.33Å; L710-S712 PolarHBondContact O-N 2.83Å; L710-L713 PolarHBondContact O-N 2.84Å; L710-N714 VanDerWaalsContact O-CB 3.3Å; L710-N714 WeakPolarHBondContact O-CB 3.05Å; L710-N714 PolarHBondContact O-N 3.43Å; L710-L739 HydrophobicContact CD1-CD1 3.66Å; L710-L739 HydrophobicContact CD1-CD2 4.11Å; L710-L739 HydrophobicContact CD1-CG 4.02Å; L710-I747 HydrophobicContact CD1-CD1 3.52Å; L710-I747 HydrophobicContact CD2-CD1 4.41Å
711	A	90.8	Very high	87.5	Confident	57 Å²	57	56.1 Å²	56.1	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-41.7	175.1	0	0	0	0	0	111.8	P707 N714 Q715	P707-A711 WeakPolarHBondContact O-CB 3.24Å; P707-A711 PolarHBondContact O-N 3.4Å; A711-N714 PolarHBondContact O-N 2.93Å; A711-Q715 WeakPolarHBondContact O-CB 3.41Å; A711-Q715 PolarHBondContact O-N 2.81Å
712	S	89.7	Confident	87.6	Confident	60 Å²	60	57.1 Å²	57.1	42%	0.42	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-43.3	176.7	-59.5	0	0	0	0	112.2	D708 Q709 L710 Q715 A716	D708-S712 WeakPolarHBondContact O-CB 3.31Å; D708-S712 PolarHBondContact O-N 3.39Å; D708-S712 PolarHBondContact O-OG 3.29Å; Q709-S712 PolarHBondContact O-N 3.24Å; L710-S712 VanDerWaalsContact C-N 3.33Å; L710-S712 PolarHBondContact O-N 2.83Å; S712-Q715 PolarHBondContact O-N 3.27Å; S712-A716 WeakPolarHBondContact O-CB 3.38Å; S712-A716 PolarHBondContact O-N 3.02Å
713	L	89.1	Confident	87.2	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-44.4	175.5	178.5	63	0	0	0	111.2	Q709 L710 Q715 A716 L717 L739 F841 L915	Q709-L713 WeakPolarHBondContact O-CB 3.48Å; Q709-L713 PolarHBondContact O-N 3.27Å; L710-L713 PolarHBondContact O-N 2.84Å; L713-Q715 VanDerWaalsContact C-N 3.34Å; L713-Q715 PolarHBondContact O-N 3.48Å; L713-A716 PolarHBondContact O-N 3.39Å; L713-L717 HydrophobicContact CD1-CD1 4.36Å; L713-L717 HydrophobicContact CG-CD1 4.32Å; L713-L717 WeakPolarHBondContact O-CG 3.45Å; L713-L717 PolarHBondContact O-N 2.94Å; L713-L739 HydrophobicContact CD2-CD1 4.09Å; L713-L739 HydrophobicContact CD2-CD2 4.4Å; L713-L739 HydrophobicContact CG-CD2 4.23Å; L713-F841 HydrophobicContact CD1-CE1 4.41Å; L713-F841 HydrophobicContact CD1-CZ 4.04Å; L713-F841 HydrophobicContact CD2-CE1 4.26Å; L713-L915 HydrophobicContact CD1-CD1 4.39Å; L713-L915 WeakPolarHBondContact CD1-O 3.2Å
714	N	90.9	Very high	87.1	Confident	54 Å²	54	71.8 Å²	71.8	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-43	177.3	-173.7	32.5	0	0	0	111.7	L710 A711 L717 T718 L739	L710-N714 VanDerWaalsContact O-CB 3.3Å; L710-N714 WeakPolarHBondContact O-CB 3.05Å; L710-N714 PolarHBondContact O-N 3.43Å; A711-N714 PolarHBondContact O-N 2.93Å; N714-L717 PolarHBondContact O-N 2.8Å; N714-T718 WeakPolarHBondContact O-CB 3.13Å; N714-T718 PolarHBondContact O-N 3.36Å; N714-T718 PolarHBondContact O-OG1 3.42Å; N714-L739 HydrophobicContact CB-CD2 3.62Å
715	Q	89.5	Confident	87	Confident	106 Å²	106	69.6 Å²	69.6	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-45.1	175	-174.6	175.4	4.9	0	0	111.3	A711 S712 L713 L717 T718 D719	A711-Q715 WeakPolarHBondContact O-CB 3.41Å; A711-Q715 PolarHBondContact O-N 2.81Å; S712-Q715 PolarHBondContact O-N 3.27Å; L713-Q715 VanDerWaalsContact C-N 3.34Å; L713-Q715 PolarHBondContact O-N 3.48Å; Q715-L717 VanDerWaalsContact C-N 3.32Å; Q715-L717 PolarHBondContact O-N 3.43Å; Q715-T718 WeakPolarHBondContact O-CB 3.48Å; Q715-T718 PolarHBondContact O-N 2.92Å; Q715-T718 VanDerWaalsContact O-N 3.1Å; Q715-D719 PolarHBondContact O-N 3.16Å
716	A	87.5	Confident	86.9	Confident	16 Å²	16	74.3 Å²	74.3	13%	0.132	39%	0.394	C	S	.	.	H	α-helix	trans	-58.8	-41.7	178	0	0	0	0	0	112.6	S712 L713 S720 K914	S712-A716 WeakPolarHBondContact O-CB 3.38Å; S712-A716 PolarHBondContact O-N 3.02Å; L713-A716 PolarHBondContact O-N 3.39Å; A716-S720 WeakPolarHBondContact O-CB 3.3Å; A716-S720 PolarHBondContact O-N 2.84Å; A716-S720 VanDerWaalsContact O-N 3.14Å; A716-S720 PolarHBondContact O-OG 3.12Å; A716-K914 HydrophobicContact CB-CB 4.1Å
717	L	87.3	Confident	86.8	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-73.4	-27.9	176.2	-69.1	173	0	0	0	113.3	L713 N714 Q715 S720 S732 V736 L739 I856 T859 L915	L713-L717 HydrophobicContact CD1-CD1 4.36Å; L713-L717 HydrophobicContact CG-CD1 4.32Å; L713-L717 WeakPolarHBondContact O-CG 3.45Å; L713-L717 PolarHBondContact O-N 2.94Å; N714-L717 PolarHBondContact O-N 2.8Å; Q715-L717 VanDerWaalsContact C-N 3.32Å; Q715-L717 PolarHBondContact O-N 3.43Å; L717-S720 WeakPolarHBondContact CA-OG 3.08Å; L717-S720 PolarHBondContact O-OG 2.93Å; L717-S732 PolarHBondContact O-OG 3.36Å; L717-V736 HydrophobicContact CB-CG2 4.17Å; L717-L739 HydrophobicContact CD1-CD2 4.18Å; L717-I856 HydrophobicContact CD1-CG1 4.41Å; L717-I856 HydrophobicContact CD2-CG2 4.47Å; L717-T859 HydrophobicContact CD2-CG2 4.27Å; L717-L915 HydrophobicContact CD2-CD1 3.72Å; L717-L915 HydrophobicContact CG-CD1 4.34Å
718	T	86.9	Confident	86.6	Confident	59 Å²	59	68.6 Å²	68.6	36%	0.362	37%	0.365	S	S	.	.	H	α-helix	trans	-72.4	-36.9	175.2	-59.6	0	0	0	0	111	N714 Q715 Y721 V736	N714-T718 WeakPolarHBondContact O-CB 3.13Å; N714-T718 PolarHBondContact O-N 3.36Å; N714-T718 PolarHBondContact O-OG1 3.42Å; Q715-T718 WeakPolarHBondContact O-CB 3.48Å; Q715-T718 PolarHBondContact O-N 2.92Å; Q715-T718 VanDerWaalsContact O-N 3.1Å; T718-Y721 WeakPolarHBondContact O-CD1 3.29Å; T718-Y721 VanDerWaalsContact O-CE1 3.25Å; T718-Y721 WeakPolarHBondContact O-CE1 3.49Å; T718-V736 WeakPolarHBondContact OG1-CG2 3.2Å
719	D	85.7	Confident	86.4	Confident	100 Å²	100	65.3 Å²	65.3	54%	0.535	35%	0.347	S	S	.	.	H	α-helix	trans	-83.9	-15.4	-178.9	-65	-18.5	0	0	0	112.5	Q715 Y721	Q715-D719 PolarHBondContact O-N 3.16Å; D719-Y721 PolarHBondContact O-N 3.22Å
720	S	79.9	Confident	86.2	Confident	21 Å²	21	67 Å²	67	15%	0.147	36%	0.357	C	S	.	.			trans	-79.9	63.8	-179.6	66	0	0	0	0	112.5	A716 L717 T859	A716-S720 WeakPolarHBondContact O-CB 3.3Å; A716-S720 PolarHBondContact O-N 2.84Å; A716-S720 VanDerWaalsContact O-N 3.14Å; A716-S720 PolarHBondContact O-OG 3.12Å; L717-S720 WeakPolarHBondContact CA-OG 3.08Å; L717-S720 PolarHBondContact O-OG 2.93Å; S720-T859 WeakPolarHBondContact OG-CG2 3.42Å
721	Y	83.3	Confident	86.1	Confident	106 Å²	106	67.7 Å²	67.7	42%	0.416	36%	0.358	S	S	.	.	S	Bend	trans	-144.2	155.5	169.7	72.1	-79.8	0	0	0	111.9	T718 D719 T723 S728 I729	T718-Y721 WeakPolarHBondContact O-CD1 3.29Å; T718-Y721 VanDerWaalsContact O-CE1 3.25Å; T718-Y721 WeakPolarHBondContact O-CE1 3.49Å; D719-Y721 PolarHBondContact O-N 3.22Å; Y721-T723 HydrophobicContact CE2-CG2 3.79Å; Y721-S728 VanDerWaalsContact CA-OG 3.32Å; Y721-S728 WeakPolarHBondContact CA-OG 3.31Å; Y721-I729 HydrophobicContact CD2-CG1 3.73Å; Y721-I729 HydrophobicContact CE2-CG1 4.41Å; Y721-I729 HydrophobicContact CG-CG1 4.44Å
722	T	82.6	Confident	86	Confident	54 Å²	54	65.3 Å²	65.3	33%	0.331	34%	0.338	S	S	.	.			trans	-96.4	121	171	-56.6	0	0	0	0	108.9	R724 D725 S728	T722-R724 PolarHBondContact O-N 2.76Å; T722-D725 PolarHBondContact O-N 3.1Å; T722-S728 PolarHBondContact N-OG 3.1Å
723	T	79.1	Confident	86	Confident	109 Å²	109	70.9 Å²	70.9	67%	0.669	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.1	-175.9	52	0	0	0	0	114.8	Y721	Y721-T723 HydrophobicContact CE2-CG2 3.79Å
724	R	80.6	Confident	86.1	Confident	234 Å²	234	75.3 Å²	75.3	88%	0.883	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-12.5	-179.9	-65.7	-176.2	176.8	160.3	-0.4	114.8	T722	T722-R724 PolarHBondContact O-N 2.76Å
725	D	85.1	Confident	86	Confident	54 Å²	54	72.7 Å²	72.7	29%	0.289	36%	0.358	S	S	.	.			trans	-106.7	110.1	-177.2	179.1	15.4	0	0	0	111	T722 N727 S728 I729 R731	T722-D725 PolarHBondContact O-N 3.1Å; D725-N727 PolarHBondContact O-N 3.21Å; D725-N727 WeakPolarHBondContact OD1-CB 3.45Å; D725-N727 PolarHBondContact OD1-N 3.35Å; D725-S728 VanDerWaalsContact O-CB 3.29Å; D725-S728 WeakPolarHBondContact O-CB 3.34Å; D725-S728 PolarHBondContact O-N 2.91Å; D725-S728 VanDerWaalsContact O-N 3.14Å; D725-S728 WeakPolarHBondContact OD2-CB 3.08Å; D725-S728 PolarHBondContact OD2-N 3.25Å; D725-I729 PolarHBondContact O-N 2.86Å; D725-I729 VanDerWaalsContact O-N 3.08Å; D725-R731 IonicContact OD2-NH2 3Å; D725-R731 PolarHBondContact OD2-NH2 2.73Å
726	T	87.1	Confident	86.1	Confident	101 Å²	101	68.6 Å²	68.6	62%	0.62	34%	0.34	S	S	*	.	H	α-helix	trans	-58.3	-36.1	177.8	-43.8	0	0	0	0	112	I729 L730	T726-I729 PolarHBondContact O-N 3.17Å; T726-L730 WeakPolarHBondContact O-CG 3.43Å; T726-L730 PolarHBondContact O-N 3.29Å
727	N	86.6	Confident	86.3	Confident	97 Å²	97	71.6 Å²	71.6	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-69.8	-37.8	179.3	-66.6	-45.8	0	0	0	111.1	D725 L730 R731	D725-N727 PolarHBondContact O-N 3.21Å; D725-N727 WeakPolarHBondContact OD1-CB 3.45Å; D725-N727 PolarHBondContact OD1-N 3.35Å; N727-L730 PolarHBondContact O-N 2.67Å; N727-R731 WeakPolarHBondContact O-CG 3.44Å; N727-R731 PolarHBondContact O-N 2.79Å
728	S	85.2	Confident	86.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-45.3	173.6	-170.9	0	0	0	0	111.9	Y721 T722 D725 L730 R731 S732 D863	Y721-S728 VanDerWaalsContact CA-OG 3.32Å; Y721-S728 WeakPolarHBondContact CA-OG 3.31Å; T722-S728 PolarHBondContact N-OG 3.1Å; D725-S728 VanDerWaalsContact O-CB 3.29Å; D725-S728 WeakPolarHBondContact O-CB 3.34Å; D725-S728 PolarHBondContact O-N 2.91Å; D725-S728 VanDerWaalsContact O-N 3.14Å; D725-S728 WeakPolarHBondContact OD2-CB 3.08Å; D725-S728 PolarHBondContact OD2-N 3.25Å; S728-L730 PolarHBondContact O-N 3.43Å; S728-R731 VanDerWaalsContact CA-NH2 3.31Å; S728-R731 PolarHBondContact O-N 3.1Å; S728-S732 PolarHBondContact O-N 2.84Å; S728-D863 VanDerWaalsContact CB-OD1 3.23Å; S728-D863 WeakPolarHBondContact CB-OD1 3.25Å; S728-D863 PolarHBondContact OG-OD1 2.83Å
729	I	86.4	Confident	86.6	Confident	58 Å²	58	70.9 Å²	70.9	30%	0.297	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.3	-65.2	166.7	0	0	0	110.9	Y721 D725 T726 R733	Y721-I729 HydrophobicContact CD2-CG1 3.73Å; Y721-I729 HydrophobicContact CE2-CG1 4.41Å; Y721-I729 HydrophobicContact CG-CG1 4.44Å; D725-I729 PolarHBondContact O-N 2.86Å; D725-I729 VanDerWaalsContact O-N 3.08Å; T726-I729 PolarHBondContact O-N 3.17Å; I729-R733 HydrophobicContact CG2-CG 4.5Å; I729-R733 WeakPolarHBondContact O-CB 3.14Å; I729-R733 VanDerWaalsContact O-CG 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.32Å; I729-R733 PolarHBondContact O-N 3.33Å
730	L	87.1	Confident	86.8	Confident	88 Å²	88	73.7 Å²	73.7	46%	0.461	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-42.5	177.5	-73	171.9	0	0	0	112	T726 N727 S728 R733 M734	T726-L730 WeakPolarHBondContact O-CG 3.43Å; T726-L730 PolarHBondContact O-N 3.29Å; N727-L730 PolarHBondContact O-N 2.67Å; S728-L730 PolarHBondContact O-N 3.43Å; L730-R733 PolarHBondContact O-N 3.19Å; L730-M734 VanDerWaalsContact O-CG 3.3Å; L730-M734 WeakPolarHBondContact O-CG 3.32Å; L730-M734 PolarHBondContact O-N 3.06Å
731	R	88.4	Confident	87.1	Confident	45 Å²	45	75.6 Å²	75.6	17%	0.17	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-50.6	176.8	-73.8	-173.8	-60	-97.9	0.3	112	D725 N727 S728 R733 M734 S735 T859 D863	D725-R731 IonicContact OD2-NH2 3Å; D725-R731 PolarHBondContact OD2-NH2 2.73Å; N727-R731 WeakPolarHBondContact O-CG 3.44Å; N727-R731 PolarHBondContact O-N 2.79Å; S728-R731 VanDerWaalsContact CA-NH2 3.31Å; S728-R731 PolarHBondContact O-N 3.1Å; R731-R733 VanDerWaalsContact C-N 3.32Å; R731-R733 PolarHBondContact O-N 3.35Å; R731-M734 HydrophobicContact CB-CE 4.44Å; R731-M734 HydrophobicContact CG-CE 4.06Å; R731-M734 PolarHBondContact O-N 3.21Å; R731-S735 PolarHBondContact O-N 3.19Å; R731-S735 PolarHBondContact O-OG 3.07Å; R731-T859 PolarHBondContact O-OG1 3.32Å; R731-D863 IonicContact CZ-OD1 2.75Å; R731-D863 IonicContact CZ-OD2 3.91Å; R731-D863 IonicContact NE-OD1 3.97Å; R731-D863 IonicContact NE-OD2 2.76Å; R731-D863 PolarHBondContact NE-OD2 3.38Å; R731-D863 IonicContact NH2-OD1 2.69Å; R731-D863 PolarHBondContact NH2-OD1 3.35Å; R731-D863 IonicContact NH2-OD2 2.66Å; R731-D863 PolarHBondContact NH2-OD2 3.35Å
732	S	87.6	Confident	87.3	Confident	7 Å²	7	71.9 Å²	71.9	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-45.2	175.3	168.5	0	0	0	0	111.7	L717 S728 M734 S735 V736	L717-S732 PolarHBondContact O-OG 3.36Å; S728-S732 PolarHBondContact O-N 2.84Å; S732-M734 PolarHBondContact O-N 3.4Å; S732-S735 PolarHBondContact O-N 3.37Å; S732-V736 WeakPolarHBondContact O-CG2 3.14Å; S732-V736 PolarHBondContact O-N 3.31Å
733	R	89.9	Confident	87.6	Confident	176 Å²	176	72 Å²	72	66%	0.664	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-39.8	176.8	-72.8	178.2	115.9	-176.3	3.4	113	I729 L730 R731 S737	I729-R733 HydrophobicContact CG2-CG 4.5Å; I729-R733 WeakPolarHBondContact O-CB 3.14Å; I729-R733 VanDerWaalsContact O-CG 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.32Å; I729-R733 PolarHBondContact O-N 3.33Å; L730-R733 PolarHBondContact O-N 3.19Å; R731-R733 VanDerWaalsContact C-N 3.32Å; R731-R733 PolarHBondContact O-N 3.35Å; R733-S737 WeakPolarHBondContact O-CB 3.27Å; R733-S737 PolarHBondContact O-N 2.81Å
734	M	91	Very high	88	Confident	96 Å²	96	72 Å²	72	47%	0.473	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-42	175.1	-73.4	-174.9	-62.8	0	0	111.3	L730 R731 S732 S737 Y738	L730-M734 VanDerWaalsContact O-CG 3.3Å; L730-M734 WeakPolarHBondContact O-CG 3.32Å; L730-M734 PolarHBondContact O-N 3.06Å; R731-M734 HydrophobicContact CB-CE 4.44Å; R731-M734 HydrophobicContact CG-CE 4.06Å; R731-M734 PolarHBondContact O-N 3.21Å; S732-M734 PolarHBondContact O-N 3.4Å; M734-S737 PolarHBondContact O-N 2.87Å; M734-Y738 WeakPolarHBondContact O-CB 3Å; M734-Y738 PolarHBondContact O-N 2.72Å
735	S	89.7	Confident	88.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-43.9	177.7	-65.7	0	0	0	0	112.8	R731 S732 S737 Y738 L739 S855 I856 T859	R731-S735 PolarHBondContact O-N 3.19Å; R731-S735 PolarHBondContact O-OG 3.07Å; S732-S735 PolarHBondContact O-N 3.37Å; S735-S737 VanDerWaalsContact C-N 3.34Å; S735-Y738 PolarHBondContact O-N 3.08Å; S735-L739 PolarHBondContact O-N 3.49Å; S735-S855 PolarHBondContact OG-O 3.46Å; S735-I856 PolarHBondContact OG-N 3.49Å; S735-T859 PolarHBondContact OG-OG1 3.02Å
736	V	91.3	Very high	88.4	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-40.1	173.7	172.7	0	0	0	0	110.9	L717 T718 S732 L739 K740	L717-V736 HydrophobicContact CB-CG2 4.17Å; T718-V736 WeakPolarHBondContact OG1-CG2 3.2Å; S732-V736 WeakPolarHBondContact O-CG2 3.14Å; S732-V736 PolarHBondContact O-N 3.31Å; V736-L739 PolarHBondContact O-N 3.46Å; V736-K740 HydrophobicContact CG1-CD 4.4Å; V736-K740 WeakPolarHBondContact O-CG 3.39Å; V736-K740 PolarHBondContact O-N 2.9Å
737	S	91.1	Very high	88.6	Confident	80 Å²	80	56.9 Å²	56.9	56%	0.559	29%	0.287	S	S	*	.	H	α-helix	trans	-65.7	-38.5	176.5	-170	0	0	0	0	112.2	R733 M734 S735 K740	R733-S737 WeakPolarHBondContact O-CB 3.27Å; R733-S737 PolarHBondContact O-N 2.81Å; M734-S737 PolarHBondContact O-N 2.87Å; S735-S737 VanDerWaalsContact C-N 3.34Å; S737-K740 PolarHBondContact O-N 3.03Å
738	Y	91	Very high	88.8	Confident	39 Å²	39	52.5 Å²	52.5	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-47.9	174.1	-179	-85.9	0	0	0	110.3	M734 S735 K740 G741 Y742 Q843 P853 I856 F935	M734-Y738 WeakPolarHBondContact O-CB 3Å; M734-Y738 PolarHBondContact O-N 2.72Å; S735-Y738 PolarHBondContact O-N 3.08Å; Y738-K740 VanDerWaalsContact C-N 3.32Å; Y738-K740 PolarHBondContact O-N 3.08Å; Y738-G741 PolarHBondContact O-N 3.35Å; Y738-G741 VanDerWaalsContact O-N 3.11Å; Y738-Y742 HydrophobicContact CD1-CE2 4.21Å; Y738-Y742 HydrophobicContact CE1-CD2 4.36Å; Y738-Y742 AromaticContact CE1-CE2 3.68Å; Y738-Y742 HydrophobicContact CE1-CE2 3.68Å; Y738-Y742 HydrophobicContact CE2-CE2 4.3Å; Y738-Y742 AromaticContact CZ-CE2 3.71Å; Y738-Y742 WeakPolarHBondContact O-CD2 3.36Å; Y738-Y742 PolarHBondContact OH-OH 3.26Å; Y738-Q843 WeakPolarHBondContact OH-CB 3.49Å; Y738-Q843 VanDerWaalsContact OH-CD 3.3Å; Y738-Q843 WeakPolarHBondContact OH-CG 3.31Å; Y738-Q843 PolarHBondContact OH-OE1 3.28Å; Y738-P853 HydrophobicContact CD1-CB 4.47Å; Y738-P853 HydrophobicContact CE1-CB 3.73Å; Y738-P853 HydrophobicContact CE2-CB 4.38Å; Y738-I856 HydrophobicContact CD1-CD1 3.74Å; Y738-I856 HydrophobicContact CD1-CG1 4.13Å; Y738-I856 HydrophobicContact CE1-CD1 3.97Å; Y738-F935 HydrophobicContact CE1-CD1 4.27Å; Y738-F935 HydrophobicContact CE1-CD2 4.17Å; Y738-F935 HydrophobicContact CE1-CE2 4.39Å; Y738-F935 HydrophobicContact CE1-CG 4.11Å
739	L	90.7	Very high	89.1	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-37.2	179.4	-171.3	63.3	0	0	0	112.6	L710 L713 N714 L717 S735 V736 G741 Y742 I747 F935	L710-L739 HydrophobicContact CD1-CD1 3.66Å; L710-L739 HydrophobicContact CD1-CD2 4.11Å; L710-L739 HydrophobicContact CD1-CG 4.02Å; L713-L739 HydrophobicContact CD2-CD1 4.09Å; L713-L739 HydrophobicContact CD2-CD2 4.4Å; L713-L739 HydrophobicContact CG-CD2 4.23Å; N714-L739 HydrophobicContact CB-CD2 3.62Å; L717-L739 HydrophobicContact CD1-CD2 4.18Å; S735-L739 PolarHBondContact O-N 3.49Å; V736-L739 PolarHBondContact O-N 3.46Å; L739-G741 PolarHBondContact O-N 2.91Å; L739-Y742 PolarHBondContact O-N 3.16Å; L739-I747 HydrophobicContact CD1-CD1 4.02Å; L739-F935 HydrophobicContact CD1-CE1 3.71Å; L739-F935 HydrophobicContact CD1-CZ 4.3Å
740	K	89.3	Confident	89.3	Confident	158 Å²	158	49.8 Å²	49.8	69%	0.687	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	175.9	-78.8	-179.3	179	-175.9	0	114.4	V736 S737 Y738 Y742	V736-K740 HydrophobicContact CG1-CD 4.4Å; V736-K740 WeakPolarHBondContact O-CG 3.39Å; V736-K740 PolarHBondContact O-N 2.9Å; S737-K740 PolarHBondContact O-N 3.03Å; Y738-K740 VanDerWaalsContact C-N 3.32Å; Y738-K740 PolarHBondContact O-N 3.08Å; K740-Y742 PolarHBondContact O-N 2.92Å
741	G	86	Confident	89.5	Confident	62 Å²	62	47.4 Å²	47.4	64%	0.639	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.2	175.3	0	0	0	0	0	114	Y738 L739	Y738-G741 PolarHBondContact O-N 3.35Å; Y738-G741 VanDerWaalsContact O-N 3.11Å; L739-G741 PolarHBondContact O-N 2.91Å
742	Y	88.1	Confident	89.7	Confident	28 Å²	28	45.2 Å²	45.2	11%	0.11	23%	0.227	C	C	.	.	S	Bend	trans	-118.9	141.5	-176.3	-60.1	-87	0	0	0	110.7	Y738 L739 K740 D746 Q843 F935 D937	Y738-Y742 HydrophobicContact CD1-CE2 4.21Å; Y738-Y742 HydrophobicContact CE1-CD2 4.36Å; Y738-Y742 AromaticContact CE1-CE2 3.68Å; Y738-Y742 HydrophobicContact CE1-CE2 3.68Å; Y738-Y742 HydrophobicContact CE2-CE2 4.3Å; Y738-Y742 AromaticContact CZ-CE2 3.71Å; Y738-Y742 WeakPolarHBondContact O-CD2 3.36Å; Y738-Y742 PolarHBondContact OH-OH 3.26Å; L739-Y742 PolarHBondContact O-N 3.16Å; K740-Y742 PolarHBondContact O-N 2.92Å; Y742-D746 HydrophobicContact CD1-CB 3.95Å; Y742-Q843 PolarHBondContact OH-NE2 3Å; Y742-F935 HydrophobicContact CD1-CB 4.26Å; Y742-F935 HydrophobicContact CD2-CB 4.49Å; Y742-F935 AromaticContact CD2-CD1 3.92Å; Y742-F935 HydrophobicContact CD2-CD1 3.92Å; Y742-F935 HydrophobicContact CE1-CB 3.9Å; Y742-F935 HydrophobicContact CE2-CB 4.16Å; Y742-F935 HydrophobicContact CE2-CD1 4.23Å; Y742-F935 HydrophobicContact CE2-CG 4.45Å; Y742-F935 HydrophobicContact CG-CD1 4.11Å; Y742-D937 WeakPolarHBondContact CE1-OD1 3.41Å; Y742-D937 PolarHBondContact OH-OD1 3.35Å
743	T	87.8	Confident	89.9	Confident	57 Å²	57	48.5 Å²	48.5	35%	0.35	24%	0.238	S	C	.	.			trans	-89.3	172.1	168.8	67.2	0	0	0	0	110.6	E745 D746 R938	T743-E745 PolarHBondContact O-N 3.06Å; T743-D746 WeakPolarHBondContact CB-OD2 3.34Å; T743-D746 PolarHBondContact N-OD2 3.24Å; T743-D746 PolarHBondContact O-N 3.06Å; T743-D746 VanDerWaalsContact OG1-CG 3.27Å; T743-D746 PolarHBondContact OG1-OD2 3.33Å; T743-R938 PolarHBondContact OG1-NH2 3.16Å
744	Y	88.3	Confident	90	Very high	107 Å²	107	40.1 Å²	40.1	42%	0.42	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-62.6	-24.2	176.5	68.2	-91	0	0	0	112.6	D746	Y744-D746 VanDerWaalsContact C-N 3.33Å
745	E	86.1	Confident	89.9	Confident	69 Å²	69	36.7 Å²	36.7	32%	0.322	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-77.4	-21.5	176.1	-56.1	-178.5	170.1	0	0	112.2	I669 M671 T743	I669-E745 HydrophobicContact CD1-CB 3.79Å; I669-E745 WeakPolarHBondContact CD1-OE2 3.27Å; M671-E745 WeakPolarHBondContact CE-O 3.34Å; T743-E745 PolarHBondContact O-N 3.06Å
746	D	88.2	Confident	90	Very high	2 Å²	2	37 Å²	37	1%	0.011	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-91.2	2.2	-179.8	-54.1	-53.7	0	0	0	112.2	Y742 T743 Y744 I936 R938	Y742-D746 HydrophobicContact CD1-CB 3.95Å; T743-D746 WeakPolarHBondContact CB-OD2 3.34Å; T743-D746 PolarHBondContact N-OD2 3.24Å; T743-D746 PolarHBondContact O-N 3.06Å; T743-D746 VanDerWaalsContact OG1-CG 3.27Å; T743-D746 PolarHBondContact OG1-OD2 3.33Å; Y744-D746 VanDerWaalsContact C-N 3.33Å; D746-I936 VanDerWaalsContact O-CB 3.3Å; D746-I936 WeakPolarHBondContact O-CB 3.35Å; D746-I936 PolarHBondContact O-N 2.82Å; D746-R938 IonicContact OD1-CZ 2.76Å; D746-R938 IonicContact OD1-NE 2.71Å; D746-R938 PolarHBondContact OD1-NE 2.86Å; D746-R938 VanDerWaalsContact OD1-NE 3.1Å; D746-R938 IonicContact OD1-NH2 2.6Å; D746-R938 PolarHBondContact OD1-NH2 3.48Å; D746-R938 IonicContact OD2-CZ 3.98Å; D746-R938 IonicContact OD2-NE 2.92Å; D746-R938 PolarHBondContact OD2-NE 3.31Å; D746-R938 IonicContact OD2-NH2 3.23Å; D746-R938 PolarHBondContact OD2-NH2 3.24Å
747	I	91.2	Very high	89.9	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.1	-178.2	-58	169.5	0	0	0	109.5	I705 L710 L739 V933 F935	I705-I747 HydrophobicContact CB-CB 4.2Å; I705-I747 HydrophobicContact CB-CG2 3.95Å; I705-I747 HydrophobicContact CD1-CG2 4.12Å; I705-I747 HydrophobicContact CG2-CB 3.61Å; I705-I747 HydrophobicContact CG2-CD1 4.3Å; I705-I747 HydrophobicContact CG2-CG1 4.49Å; I705-I747 HydrophobicContact CG2-CG2 3.88Å; I705-I747 PolarHBondContact N-O 3.35Å; L710-I747 HydrophobicContact CD1-CD1 3.52Å; L710-I747 HydrophobicContact CD2-CD1 4.41Å; L739-I747 HydrophobicContact CD1-CD1 4.02Å; I747-V933 HydrophobicContact CG2-CG1 3.77Å; I747-F935 HydrophobicContact CD1-CD1 4.07Å; I747-F935 HydrophobicContact CD1-CE1 3.83Å; I747-F935 HydrophobicContact CG1-CD1 3.78Å; I747-F935 HydrophobicContact CG1-CE1 4.01Å; I747-F935 HydrophobicContact CG2-CE1 4.4Å
748	L	90.4	Very high	89.8	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.7	-176.4	-175.4	69.5	0	0	0	110.9	P672 L702 V750 V933 G934 I936	P672-L748 HydrophobicContact CG-CD2 3.35Å; L702-L748 HydrophobicContact CB-CD1 4.21Å; L702-L748 HydrophobicContact CD2-CD2 4.03Å; L748-V750 HydrophobicContact CD2-CG2 3.92Å; L748-V750 HydrophobicContact CG-CG2 4.12Å; L748-V933 CarbonylContact O-C 3.54Å; L748-V933 WeakPolarHBondContact O-CA 3.3Å; L748-G934 PolarHBondContact N-O 3.13Å; L748-G934 PolarHBondContact O-N 2.97Å; L748-I936 HydrophobicContact CB-CD1 3.64Å; L748-I936 HydrophobicContact CB-CG1 4.47Å; L748-I936 HydrophobicContact CD2-CD1 3.99Å; L748-I936 HydrophobicContact CG-CD1 4.42Å
749	I	91.4	Very high	89.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.9	168.6	-56.6	172.6	0	0	0	107.3	G703 I705 R751 I917 Q931	G703-I749 PolarHBondContact N-O 3.46Å; G703-I749 WeakPolarHBondContact O-CA 3.28Å; G703-I749 WeakPolarHBondContact O-CB 3.45Å; G703-I749 PolarHBondContact O-N 3.33Å; I705-I749 HydrophobicContact CB-CD1 4.33Å; I705-I749 HydrophobicContact CB-CG1 4.48Å; I705-I749 HydrophobicContact CG1-CD1 4.24Å; I749-R751 HydrophobicContact CG2-CG 4.13Å; I749-I917 HydrophobicContact CD1-CD1 4.36Å; I749-I917 HydrophobicContact CD1-CG2 4.11Å; I749-Q931 HydrophobicContact CG2-CG 3.59Å
750	V	91.9	Very high	89.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.8	175.3	-172.9	0	0	0	0	108.4	V675 A692 E701 L702 L748 F752 F788 Q931 V932	V675-V750 HydrophobicContact CB-CG1 3.9Å; V675-V750 HydrophobicContact CG1-CG1 4.05Å; V675-V750 HydrophobicContact CG2-CG1 4.2Å; V675-V750 HydrophobicContact CG2-CG2 4.07Å; A692-V750 HydrophobicContact CB-CG1 3.89Å; E701-V750 CarbonylContact O-C 3.44Å; L702-V750 HydrophobicContact CD2-CB 4.36Å; L702-V750 HydrophobicContact CD2-CG1 3.95Å; L702-V750 HydrophobicContact CD2-CG2 4Å; L748-V750 HydrophobicContact CD2-CG2 3.92Å; L748-V750 HydrophobicContact CG-CG2 4.12Å; V750-F752 HydrophobicContact CB-CE2 4.33Å; V750-F752 HydrophobicContact CB-CZ 4.45Å; V750-F752 HydrophobicContact CG1-CD1 4.45Å; V750-F752 HydrophobicContact CG1-CD2 4.24Å; V750-F752 HydrophobicContact CG1-CE1 3.87Å; V750-F752 HydrophobicContact CG1-CE2 3.63Å; V750-F752 HydrophobicContact CG1-CZ 3.41Å; V750-F752 VanDerWaalsContact CG1-CZ 3.41Å; V750-F788 HydrophobicContact CG2-CE1 3.92Å; V750-F788 HydrophobicContact CG2-CZ 4.14Å; V750-Q931 CarbonylContact O-C 3.57Å; V750-Q931 VanDerWaalsContact O-CA 3.31Å; V750-Q931 WeakPolarHBondContact O-CA 3.42Å; V750-V932 WeakPolarHBondContact CB-O 3.32Å; V750-V932 PolarHBondContact N-O 2.84Å; V750-V932 PolarHBondContact O-N 2.85Å
751	R	91.3	Very high	89.5	Confident	37 Å²	37	41 Å²	41	14%	0.14	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	106.7	178.8	-59.9	-173.2	-178.1	95.1	4.5	109.3	A700 E701 I749 Y929 L930 Q931	A700-R751 WeakPolarHBondContact O-CD 3.27Å; A700-R751 PolarHBondContact O-NH1 3.25Å; E701-R751 PolarHBondContact O-N 2.86Å; I749-R751 HydrophobicContact CG2-CG 4.13Å; R751-Y929 HydrophobicContact CB-CD1 3.9Å; R751-Y929 HydrophobicContact CB-CG 3.92Å; R751-L930 CarbonylContact C-O 3.51Å; R751-L930 WeakPolarHBondContact CA-O 3.3Å; R751-Q931 HydrophobicContact CG-CG 4.42Å
752	F	92.2	Very high	89.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.9	172.9	-55.6	-79.8	0	0	0	109.8	V675 L677 M690 A692 V750 L786 Y929 L930 V932	V675-F752 HydrophobicContact CB-CE1 4.31Å; V675-F752 HydrophobicContact CB-CZ 4.31Å; V675-F752 HydrophobicContact CG1-CE1 4.09Å; V675-F752 HydrophobicContact CG1-CZ 3.69Å; V675-F752 WeakPolarHBondContact O-CE1 3.14Å; L677-F752 HydrophobicContact CB-CD1 3.85Å; L677-F752 HydrophobicContact CB-CD2 4.34Å; L677-F752 HydrophobicContact CB-CE1 3.62Å; L677-F752 HydrophobicContact CB-CE2 4.14Å; L677-F752 HydrophobicContact CB-CG 4.2Å; L677-F752 HydrophobicContact CB-CZ 3.78Å; L677-F752 HydrophobicContact CD2-CD2 3.95Å; L677-F752 HydrophobicContact CD2-CE2 4.2Å; L677-F752 HydrophobicContact CD2-CG 4.19Å; M690-F752 HydrophobicContact CB-CB 4.43Å; M690-F752 HydrophobicContact CB-CD1 4.36Å; M690-F752 HydrophobicContact CG-CB 3.88Å; M690-F752 HydrophobicContact CG-CD1 4.01Å; M690-F752 HydrophobicContact CG-CG 4.46Å; A692-F752 HydrophobicContact CB-CD1 3.96Å; A692-F752 HydrophobicContact CB-CE1 4.02Å; V750-F752 HydrophobicContact CB-CE2 4.33Å; V750-F752 HydrophobicContact CB-CZ 4.45Å; V750-F752 HydrophobicContact CG1-CD1 4.45Å; V750-F752 HydrophobicContact CG1-CD2 4.24Å; V750-F752 HydrophobicContact CG1-CE1 3.87Å; V750-F752 HydrophobicContact CG1-CE2 3.63Å; V750-F752 HydrophobicContact CG1-CZ 3.41Å; V750-F752 VanDerWaalsContact CG1-CZ 3.41Å; F752-L786 HydrophobicContact CE2-CD1 4.19Å; F752-L786 HydrophobicContact CZ-CD1 3.62Å; F752-Y929 WeakPolarHBondContact O-CD1 3.26Å; F752-L930 HydrophobicContact CB-CB 4.1Å; F752-L930 HydrophobicContact CB-CG 4.49Å; F752-L930 HydrophobicContact CD2-CG 4.29Å; F752-L930 WeakPolarHBondContact CD2-O 3.39Å; F752-L930 PolarHBondContact N-O 2.96Å; F752-L930 PolarHBondContact O-N 3.04Å; F752-V932 HydrophobicContact CE2-CB 4.31Å; F752-V932 HydrophobicContact CE2-CG2 3.98Å
753	R	91.1	Very high	89.7	Confident	75 Å²	75	41 Å²	41	28%	0.283	20%	0.199	S	C	.	.			trans	-61.3	139.5	174.8	-69.1	176.7	-81	161.3	2.7	109.9	Y688 M690 E701 E755 Y924 Y929	Y688-R753 PolarHBondContact OH-O 2.66Å; M690-R753 HydrophobicContact CE-CB 3.57Å; M690-R753 HydrophobicContact CE-CG 4.49Å; M690-R753 HydrophobicContact SD-CB 3.94Å; M690-R753 HydrophobicContact SD-CG 4.4Å; E701-R753 WeakPolarHBondContact OE1-CD 3.41Å; E701-R753 IonicContact OE1-CZ 2.73Å; E701-R753 IonicContact OE1-NE 3.68Å; E701-R753 PolarHBondContact OE1-NE 3.34Å; R753-E755 VanDerWaalsContact C-N 3.3Å; R753-E755 PolarHBondContact O-N 3.42Å; R753-Y924 WeakPolarHBondContact CB-OH 3.34Å; R753-Y924 WeakPolarHBondContact CD-OH 3.42Å; R753-Y924 VanDerWaalsContact CG-OH 3.27Å; R753-Y924 WeakPolarHBondContact CG-OH 3.44Å; R753-Y929 HydrophobicContact CG-CD1 4.45Å; R753-Y929 HydrophobicContact CG-CE1 3.84Å
754	P	91.5	Very high	89.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-68.6	-28.4	-173.6	22.1	-26.9	0	0	0	113.1	Y688 I902 A903 T922 R927	Y688-P754 WeakPolarHBondContact CE2-O 3.17Å; P754-I902 HydrophobicContact CB-CG2 4.34Å; P754-I902 CarbonylContact O-C 3.59Å; P754-I902 VanDerWaalsContact O-CA 3.3Å; P754-I902 WeakPolarHBondContact O-CA 3.37Å; P754-A903 PolarHBondContact O-N 3.23Å; P754-T922 VanDerWaalsContact CD-CG2 3.48Å; P754-T922 HydrophobicContact CG-CG2 3.86Å; P754-R927 HydrophobicContact CB-CB 4.22Å; P754-R927 HydrophobicContact CG-CB 3.59Å
755	E	90.1	Very high	89.8	Confident	25 Å²	25	44.1 Å²	44.1	12%	0.117	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-78.8	135.6	173.2	-59.7	79.1	-168.8	0	0	111.3	M690 R753 M900 I902 Y924 S925 R927	M690-E755 WeakPolarHBondContact CE-O 3.36Å; R753-E755 VanDerWaalsContact C-N 3.3Å; R753-E755 PolarHBondContact O-N 3.42Å; E755-M900 HydrophobicContact CB-SD 3.81Å; E755-M900 HydrophobicContact CG-SD 4.21Å; E755-I902 HydrophobicContact CG-CG1 4.32Å; E755-Y924 WeakPolarHBondContact OE2-CE2 3.43Å; E755-Y924 PolarHBondContact OE2-OH 3.46Å; E755-S925 WeakPolarHBondContact OE1-CB 3.2Å; E755-S925 PolarHBondContact OE1-OG 3.43Å; E755-R927 WeakPolarHBondContact OE1-CD 3.42Å; E755-R927 IonicContact OE1-CZ 2.73Å; E755-R927 IonicContact OE1-NE 2.74Å; E755-R927 IonicContact OE1-NH1 3.01Å; E755-R927 PolarHBondContact OE1-NH1 2.97Å
756	S	92	Very high	90	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.042	22%	0.218	C	C	.	.			trans	-59.3	137.6	171.8	-174.6	0	0	0	0	111.1	E689 I758 W901	E689-S756 PolarHBondContact N-OG 2.82Å; E689-S756 PolarHBondContact O-OG 2.76Å; S756-I758 VanDerWaalsContact C-N 3.29Å; S756-I758 PolarHBondContact O-N 3.47Å; S756-I758 PolarHBondContact OG-O 3.25Å; S756-W901 WeakPolarHBondContact CB-O 3.17Å; S756-W901 PolarHBondContact N-O 3.44Å
757	E	88.7	Confident	90.1	Very high	98 Å²	98	43.8 Å²	43.8	46%	0.458	22%	0.221	S	C	.	.	S	Bend	trans	-67.3	-34.4	179.5	-178	169.2	-168.6	0	0	111.6	E689 M690 E691	E689-E757 WeakPolarHBondContact O-CB 3.29Å; E689-E757 PolarHBondContact O-N 3.42Å; M690-E757 HydrophobicContact CE-CB 3.8Å; M690-E757 HydrophobicContact SD-CB 4.24Å; E691-E757 PolarHBondContact N-OE2 3.02Å
758	I	88.9	Confident	90.1	Very high	81 Å²	81	47.6 Å²	47.6	42%	0.415	24%	0.241	S	C	.	.	S	Bend	trans	-112.4	137	-179	-46.4	178.3	0	0	0	108.7	E689 S756	E689-I758 HydrophobicContact CG-CD1 4.41Å; S756-I758 VanDerWaalsContact C-N 3.29Å; S756-I758 PolarHBondContact O-N 3.47Å; S756-I758 PolarHBondContact OG-O 3.25Å
759	Y	89.5	Confident	90.2	Very high	114 Å²	114	49.5 Å²	49.5	45%	0.447	26%	0.257	S	S	.	.			trans	-61.1	143.4	166.5	-69.7	-71.1	0	0	0	110.1	P761 E898 M900	Y759-P761 WeakPolarHBondContact O-CD 3.37Å; Y759-E898 HydrophobicContact CD1-CB 4.2Å; Y759-E898 HydrophobicContact CE1-CB 3.99Å; Y759-E898 HydrophobicContact CE1-CG 4.45Å; Y759-M900 HydrophobicContact CD1-CB 4.03Å; Y759-M900 HydrophobicContact CD1-CE 4.33Å; Y759-M900 HydrophobicContact CE1-CB 4.16Å; Y759-M900 HydrophobicContact CE1-CE 3.83Å
760	W	89.8	Confident	90.1	Very high	13 Å²	13	49.5 Å²	49.5	5%	0.049	26%	0.257	C	S	.	.			trans	-59.5	109.1	-173	-175.6	35.6	0	0	0	112.1	L687 I762 R767 M770 L824 K899 W901	L687-W760 HydrophobicContact CD2-CD2 4.44Å; L687-W760 HydrophobicContact CD2-CH2 4.48Å; L687-W760 HydrophobicContact CD2-CZ2 3.69Å; W760-I762 HydrophobicContact CD2-CB 3.99Å; W760-I762 HydrophobicContact CD2-CG2 3.44Å; W760-I762 VanDerWaalsContact CD2-CG2 3.44Å; W760-I762 HydrophobicContact CE3-CB 4.5Å; W760-I762 HydrophobicContact CE3-CG2 3.48Å; W760-I762 VanDerWaalsContact CE3-CG2 3.48Å; W760-I762 HydrophobicContact CG-CB 4.44Å; W760-I762 HydrophobicContact CG-CG2 4.18Å; W760-I762 HydrophobicContact CH2-CB 4.45Å; W760-I762 HydrophobicContact CH2-CD1 3.83Å; W760-I762 HydrophobicContact CH2-CG2 3.71Å; W760-I762 HydrophobicContact CZ2-CB 3.94Å; W760-I762 HydrophobicContact CZ2-CD1 3.26Å; W760-I762 HydrophobicContact CZ2-CG1 4.18Å; W760-I762 HydrophobicContact CZ2-CG2 3.67Å; W760-I762 HydrophobicContact CZ3-CG2 3.61Å; W760-I762 PolarHBondContact O-N 3.35Å; W760-R767 HydrophobicContact CH2-CG 4.03Å; W760-R767 HydrophobicContact CZ3-CG 4.36Å; W760-M770 HydrophobicContact CZ2-CE 4.09Å; W760-M770 HydrophobicContact CZ2-SD 4.17Å; W760-L824 HydrophobicContact CH2-CD2 3.81Å; W760-L824 HydrophobicContact CZ2-CD2 4.2Å; W760-K899 HydrophobicContact CB-CB 4.45Å; W760-K899 WeakPolarHBondContact CB-O 3.4Å; W760-K899 HydrophobicContact CE3-CB 4.46Å; W760-K899 HydrophobicContact CE3-CD 4.46Å; W760-K899 PolarHBondContact N-O 2.76Å; W760-W901 AromaticContact CD2-NE1 3.58Å; W760-W901 AromaticContact CE3-NE1 3.75Å; W760-W901 AromaticContact CG-NE1 3.68Å; W760-W901 HydrophobicContact CZ3-CZ2 4.44Å
761	P	86.1	Confident	90.1	Very high	80 Å²	80	50.2 Å²	50.2	52%	0.519	26%	0.261	S	S	.	.			trans	-89.4	57.8	-168.2	35.8	-33.5	0	0	0	110.9	P685 Y759	P685-P761 HydrophobicContact CB-CG 4.06Å; Y759-P761 WeakPolarHBondContact O-CD 3.37Å
762	I	88.1	Confident	90.1	Very high	30 Å²	30	51.8 Å²	51.8	15%	0.154	27%	0.272	C	S	.	.			trans	-103.9	135.5	-179.7	-160.3	165.8	0	0	0	111.6	W760 R767 M770	W760-I762 HydrophobicContact CD2-CB 3.99Å; W760-I762 HydrophobicContact CD2-CG2 3.44Å; W760-I762 VanDerWaalsContact CD2-CG2 3.44Å; W760-I762 HydrophobicContact CE3-CB 4.5Å; W760-I762 HydrophobicContact CE3-CG2 3.48Å; W760-I762 VanDerWaalsContact CE3-CG2 3.48Å; W760-I762 HydrophobicContact CG-CB 4.44Å; W760-I762 HydrophobicContact CG-CG2 4.18Å; W760-I762 HydrophobicContact CH2-CB 4.45Å; W760-I762 HydrophobicContact CH2-CD1 3.83Å; W760-I762 HydrophobicContact CH2-CG2 3.71Å; W760-I762 HydrophobicContact CZ2-CB 3.94Å; W760-I762 HydrophobicContact CZ2-CD1 3.26Å; W760-I762 HydrophobicContact CZ2-CG1 4.18Å; W760-I762 HydrophobicContact CZ2-CG2 3.67Å; W760-I762 HydrophobicContact CZ3-CG2 3.61Å; W760-I762 PolarHBondContact O-N 3.35Å; I762-R767 HydrophobicContact CD1-CB 3.89Å; I762-R767 HydrophobicContact CG1-CB 4.15Å; I762-R767 HydrophobicContact CG2-CB 4.21Å; I762-M770 HydrophobicContact CD1-CE 3.67Å; I762-M770 HydrophobicContact CD1-SD 4.44Å
763	S	88.6	Confident	89.9	Confident	59 Å²	59	54.9 Å²	54.9	41%	0.413	29%	0.286	S	S	.	.			trans	-71	151.5	168.2	82.2	0	0	0	0	110.3	D765 S766 R767	S763-D765 PolarHBondContact O-N 3.05Å; S763-S766 PolarHBondContact O-N 2.81Å; S763-S766 VanDerWaalsContact OG-CB 3.25Å; S763-S766 WeakPolarHBondContact OG-CB 3.34Å; S763-S766 PolarHBondContact OG-N 3.21Å; S763-S766 PolarHBondContact OG-OG 2.64Å; S763-R767 WeakPolarHBondContact O-CB 3.46Å; S763-R767 PolarHBondContact O-N 2.9Å
764	Q	87.1	Confident	89.7	Confident	103 Å²	103	51.5 Å²	51.5	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-33.6	178.9	-174.2	61.2	16.4	0	0	111.8	R767 N768	Q764-R767 PolarHBondContact O-N 3.08Å; Q764-N768 WeakPolarHBondContact O-CB 3.1Å; Q764-N768 PolarHBondContact O-N 3.16Å; Q764-N768 PolarHBondContact O-ND2 3.46Å
765	D	90.9	Very high	89.5	Confident	127 Å²	127	54.7 Å²	54.7	68%	0.679	30%	0.295	S	S	*	.	H	α-helix	trans	-69.6	-43.7	175.5	-64.9	-33.6	0	0	0	112.1	S763 R767 N768 A769	S763-D765 PolarHBondContact O-N 3.05Å; D765-R767 VanDerWaalsContact C-N 3.27Å; D765-R767 PolarHBondContact O-N 3.22Å; D765-N768 PolarHBondContact O-N 2.99Å; D765-A769 WeakPolarHBondContact O-CB 3.42Å; D765-A769 PolarHBondContact O-N 2.9Å
766	S	91	Very high	89.2	Confident	47 Å²	47	60.5 Å²	60.5	33%	0.329	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-36.9	175	-60.1	0	0	0	0	111.5	Y684 S763 A769 M770	Y684-S766 VanDerWaalsContact CE1-O 3.32Å; Y684-S766 WeakPolarHBondContact CE1-O 3.41Å; S763-S766 PolarHBondContact O-N 2.81Å; S763-S766 VanDerWaalsContact OG-CB 3.25Å; S763-S766 WeakPolarHBondContact OG-CB 3.34Å; S763-S766 PolarHBondContact OG-N 3.21Å; S763-S766 PolarHBondContact OG-OG 2.64Å; S766-A769 PolarHBondContact O-N 3.02Å; S766-M770 WeakPolarHBondContact O-CB 2.99Å; S766-M770 PolarHBondContact O-N 3.36Å
767	R	89.8	Confident	88.7	Confident	17 Å²	17	66.6 Å²	66.6	6%	0.064	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-45.3	175.2	-178.3	-179.2	179.7	-146.2	6.7	111.8	W760 I762 S763 Q764 D765 A769 M770 I771 L824 R825 K899	W760-R767 HydrophobicContact CH2-CG 4.03Å; W760-R767 HydrophobicContact CZ3-CG 4.36Å; I762-R767 HydrophobicContact CD1-CB 3.89Å; I762-R767 HydrophobicContact CG1-CB 4.15Å; I762-R767 HydrophobicContact CG2-CB 4.21Å; S763-R767 WeakPolarHBondContact O-CB 3.46Å; S763-R767 PolarHBondContact O-N 2.9Å; Q764-R767 PolarHBondContact O-N 3.08Å; D765-R767 VanDerWaalsContact C-N 3.27Å; D765-R767 PolarHBondContact O-N 3.22Å; R767-A769 VanDerWaalsContact C-N 3.32Å; R767-A769 PolarHBondContact O-N 2.72Å; R767-M770 WeakPolarHBondContact O-CB 3.18Å; R767-M770 PolarHBondContact O-N 2.73Å; R767-I771 HydrophobicContact CG-CD1 4.15Å; R767-I771 VanDerWaalsContact O-CG1 3.31Å; R767-I771 WeakPolarHBondContact O-CG1 3.48Å; R767-I771 PolarHBondContact O-N 3.01Å; R767-L824 PolarHBondContact NE-O 2.97Å; R767-L824 PolarHBondContact NH2-O 3.17Å; R767-R825 PolarHBondContact NH2-O 3.06Å; R767-K899 VanDerWaalsContact CZ-NZ 3.26Å
768	N	92.3	Very high	88.4	Confident	80 Å²	80	64.8 Å²	64.8	43%	0.428	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-39.9	175.4	-70.5	-19	0	0	0	111.3	Q764 D765 I771 D772	Q764-N768 WeakPolarHBondContact O-CB 3.1Å; Q764-N768 PolarHBondContact O-N 3.16Å; Q764-N768 PolarHBondContact O-ND2 3.46Å; D765-N768 PolarHBondContact O-N 2.99Å; N768-I771 PolarHBondContact O-N 3.33Å; N768-D772 WeakPolarHBondContact O-CB 3.43Å; N768-D772 PolarHBondContact O-N 3.46Å
769	A	91.4	Very high	88.2	Confident	46 Å²	46	65.4 Å²	65.4	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-38.7	175	0	0	0	0	0	112.3	Y684 D765 S766 R767 D772 K773	Y684-A769 VanDerWaalsContact OH-C 3.32Å; Y684-A769 PolarHBondContact OH-O 3.47Å; D765-A769 WeakPolarHBondContact O-CB 3.42Å; D765-A769 PolarHBondContact O-N 2.9Å; S766-A769 PolarHBondContact O-N 3.02Å; R767-A769 VanDerWaalsContact C-N 3.32Å; R767-A769 PolarHBondContact O-N 2.72Å; A769-D772 PolarHBondContact O-N 3.39Å; A769-K773 VanDerWaalsContact O-CB 3.31Å; A769-K773 WeakPolarHBondContact O-CB 3.3Å; A769-K773 PolarHBondContact O-N 3.34Å
770	M	91.1	Very high	88.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-46.3	173.8	-178.7	-169.7	-74.6	0	0	111.4	I681 Y684 W760 I762 S766 R767 K773 L774 L824	I681-M770 HydrophobicContact CB-CE 4.26Å; I681-M770 HydrophobicContact CD1-CE 4.24Å; I681-M770 HydrophobicContact CD1-CG 4.26Å; I681-M770 HydrophobicContact CD1-SD 3.63Å; Y684-M770 HydrophobicContact CD1-CB 4.11Å; Y684-M770 HydrophobicContact CD1-CE 3.69Å; Y684-M770 HydrophobicContact CD2-CB 4.32Å; Y684-M770 HydrophobicContact CD2-CE 3.67Å; Y684-M770 HydrophobicContact CD2-CG 4.13Å; Y684-M770 HydrophobicContact CE1-CB 3.76Å; Y684-M770 HydrophobicContact CE1-CE 4.47Å; Y684-M770 HydrophobicContact CE2-CB 3.96Å; Y684-M770 HydrophobicContact CE2-CE 4.44Å; Y684-M770 HydrophobicContact CE2-CG 4.04Å; Y684-M770 HydrophobicContact CG-CB 4.39Å; Y684-M770 HydrophobicContact CG-CE 3.22Å; Y684-M770 HydrophobicContact CG-CG 4.42Å; Y684-M770 WeakPolarHBondContact OH-CA 3.37Å; Y684-M770 PolarHBondContact OH-N 3.46Å; W760-M770 HydrophobicContact CZ2-CE 4.09Å; W760-M770 HydrophobicContact CZ2-SD 4.17Å; I762-M770 HydrophobicContact CD1-CE 3.67Å; I762-M770 HydrophobicContact CD1-SD 4.44Å; S766-M770 WeakPolarHBondContact O-CB 2.99Å; S766-M770 PolarHBondContact O-N 3.36Å; R767-M770 WeakPolarHBondContact O-CB 3.18Å; R767-M770 PolarHBondContact O-N 2.73Å; M770-K773 PolarHBondContact O-N 3.26Å; M770-L774 HydrophobicContact CG-CD1 4.42Å; M770-L774 WeakPolarHBondContact O-CG 3.49Å; M770-L774 PolarHBondContact O-N 3.45Å; M770-L824 HydrophobicContact CG-CD1 4.02Å; M770-L824 HydrophobicContact SD-CD1 3.61Å; M770-L824 HydrophobicContact SD-CD2 3.73Å; M770-L824 HydrophobicContact SD-CG 4.31Å
771	I	90.7	Very high	88.2	Confident	16 Å²	16	61.2 Å²	61.2	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-43.3	176.6	-67.6	165.4	0	0	0	110.5	R767 N768 L774 S775 Q821 L824 R825	R767-I771 HydrophobicContact CG-CD1 4.15Å; R767-I771 VanDerWaalsContact O-CG1 3.31Å; R767-I771 WeakPolarHBondContact O-CG1 3.48Å; R767-I771 PolarHBondContact O-N 3.01Å; N768-I771 PolarHBondContact O-N 3.33Å; I771-L774 PolarHBondContact O-N 3.4Å; I771-S775 PolarHBondContact O-N 2.97Å; I771-Q821 HydrophobicContact CG2-CG 4.27Å; I771-L824 HydrophobicContact CD1-CB 4.38Å; I771-L824 HydrophobicContact CG1-CB 4.13Å; I771-L824 HydrophobicContact CG1-CD1 4.37Å; I771-R825 HydrophobicContact CD1-CG 3.9Å
772	D	90.5	Very high	88.6	Confident	70 Å²	70	57.7 Å²	57.7	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-44.2	175.8	-174.1	61.7	0	0	0	111.4	N768 A769 L774 S775 R776	N768-D772 WeakPolarHBondContact O-CB 3.43Å; N768-D772 PolarHBondContact O-N 3.46Å; A769-D772 PolarHBondContact O-N 3.39Å; D772-L774 VanDerWaalsContact C-N 3.27Å; D772-L774 PolarHBondContact O-N 3.09Å; D772-S775 WeakPolarHBondContact O-CB 3.21Å; D772-S775 PolarHBondContact O-N 3.1Å; D772-S775 PolarHBondContact O-OG 3.38Å; D772-R776 PolarHBondContact O-N 3.06Å; D772-R776 IonicContact OD2-CZ 3.68Å; D772-R776 VanDerWaalsContact OD2-CZ 3.27Å; D772-R776 IonicContact OD2-NE 3.83Å; D772-R776 PolarHBondContact OD2-NE 2.89Å; D772-R776 IonicContact OD2-NH2 3.89Å; D772-R776 PolarHBondContact OD2-NH2 3.35Å
773	K	89.7	Confident	88.9	Confident	65 Å²	65	59.2 Å²	59.2	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-36.7	176.9	-166.2	-179.4	-176.5	-174.2	0	112	Y684 A769 M770 S775 R776 V780	Y684-K773 HydrophobicContact CE2-CD 4.09Å; A769-K773 VanDerWaalsContact O-CB 3.31Å; A769-K773 WeakPolarHBondContact O-CB 3.3Å; A769-K773 PolarHBondContact O-N 3.34Å; M770-K773 PolarHBondContact O-N 3.26Å; K773-S775 VanDerWaalsContact C-N 3.34Å; K773-R776 PolarHBondContact O-N 3.42Å; K773-V780 HydrophobicContact CD-CG2 4.12Å; K773-V780 HydrophobicContact CG-CG2 3.97Å
774	L	87.1	Confident	89.1	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-73.9	-23.3	175.3	-71.4	169.5	0	0	0	113.3	M770 I771 D772 R776 V780 I810 R817 I820 Q821 L824	M770-L774 HydrophobicContact CG-CD1 4.42Å; M770-L774 WeakPolarHBondContact O-CG 3.49Å; M770-L774 PolarHBondContact O-N 3.45Å; I771-L774 PolarHBondContact O-N 3.4Å; D772-L774 VanDerWaalsContact C-N 3.27Å; D772-L774 PolarHBondContact O-N 3.09Å; L774-R776 VanDerWaalsContact C-N 3.34Å; L774-V780 HydrophobicContact CD2-CB 4.44Å; L774-V780 HydrophobicContact CD2-CG1 4.46Å; L774-I810 HydrophobicContact CD2-CD1 3.94Å; L774-R817 PolarHBondContact O-NH1 3.07Å; L774-I820 HydrophobicContact CD1-CG2 3.75Å; L774-Q821 HydrophobicContact CB-CG 4.13Å; L774-Q821 PolarHBondContact O-NE2 2.94Å; L774-L824 HydrophobicContact CD1-CD1 3.38Å
775	S	86.2	Confident	89.5	Confident	67 Å²	67	52.7 Å²	52.7	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-75	-26.7	174.7	81.1	0	0	0	0	112.7	I771 D772 K773	I771-S775 PolarHBondContact O-N 2.97Å; D772-S775 WeakPolarHBondContact O-CB 3.21Å; D772-S775 PolarHBondContact O-N 3.1Å; D772-S775 PolarHBondContact O-OG 3.38Å; K773-S775 VanDerWaalsContact C-N 3.34Å
776	R	83.4	Confident	89.7	Confident	148 Å²	148	46.7 Å²	46.7	56%	0.558	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	152.4	176.3	-62.6	176.4	-169	-140.3	3.5	110.6	D772 K773 L774 T778 R817	D772-R776 PolarHBondContact O-N 3.06Å; D772-R776 IonicContact OD2-CZ 3.68Å; D772-R776 VanDerWaalsContact OD2-CZ 3.27Å; D772-R776 IonicContact OD2-NE 3.83Å; D772-R776 PolarHBondContact OD2-NE 2.89Å; D772-R776 IonicContact OD2-NH2 3.89Å; D772-R776 PolarHBondContact OD2-NH2 3.35Å; K773-R776 PolarHBondContact O-N 3.42Å; L774-R776 VanDerWaalsContact C-N 3.34Å; R776-T778 PolarHBondContact O-N 3.33Å; R776-R817 PolarHBondContact O-NH1 3.05Å
777	N	81.9	Confident	89.8	Confident	134 Å²	134	46.3 Å²	46.3	72%	0.717	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	49.1	174.7	-161.2	12.2	0	0	0	111.9	L812	N777-L812 WeakPolarHBondContact OD1-CD2 3.42Å
778	T	82.6	Confident	89.9	Confident	59 Å²	59	45.5 Å²	45.5	36%	0.362	25%	0.249	S	C	.	.			trans	-101.6	140.2	178.6	-52.9	0	0	0	0	109.4	R776 V780 R817	R776-T778 PolarHBondContact O-N 3.33Å; T778-V780 PolarHBondContact O-N 3.43Å; T778-R817 PolarHBondContact O-NH1 2.74Å; T778-R817 VanDerWaalsContact O-NH1 3.1Å; T778-R817 PolarHBondContact O-NH2 3.01Å
779	S	84	Confident	89.8	Confident	95 Å²	95	41.9 Å²	41.9	66%	0.664	23%	0.23	S	C	*	.			trans	-65.8	118.9	170.2	53.7	0	0	0	0	109.3
780	V	88.5	Confident	89.2	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.018	21%	0.212	C	C	.	.			trans	-127.4	138.5	175.5	-177.5	0	0	0	0	106.4	I681 K773 L774 T778 I810	I681-V780 HydrophobicContact CG2-CG1 3.54Å; K773-V780 HydrophobicContact CD-CG2 4.12Å; K773-V780 HydrophobicContact CG-CG2 3.97Å; L774-V780 HydrophobicContact CD2-CB 4.44Å; L774-V780 HydrophobicContact CD2-CG1 4.46Å; T778-V780 PolarHBondContact O-N 3.43Å; V780-I810 HydrophobicContact CB-CD1 4.21Å; V780-I810 HydrophobicContact CG1-CD1 3.96Å; V780-I810 VanDerWaalsContact O-CB 3.25Å; V780-I810 WeakPolarHBondContact O-CB 3.39Å; V780-I810 VanDerWaalsContact O-CG1 3.28Å; V780-I810 WeakPolarHBondContact O-CG1 3.41Å; V780-I810 PolarHBondContact O-N 3.47Å
781	N	92.2	Very high	88.4	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.193	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.7	179.6	-53.4	-47.7	0	0	0	110.5	E682 L807 V808 P809	E682-N781 HydrophobicContact CB-CB 4.48Å; E682-N781 WeakPolarHBondContact CB-O 3.47Å; E682-N781 PolarHBondContact N-O 2.95Å; E682-N781 WeakPolarHBondContact OE2-CB 3.32Å; E682-N781 PolarHBondContact OE2-ND2 3.01Å; N781-L807 HydrophobicContact CB-CB 4.33Å; N781-L807 HydrophobicContact CB-CD2 4.34Å; N781-V808 CarbonylContact C-O 3.57Å; N781-V808 WeakPolarHBondContact CA-O 3.21Å; N781-P809 VanDerWaalsContact OD1-CA 3.31Å; N781-P809 WeakPolarHBondContact OD1-CA 3.29Å
782	F	93.1	Very high	87.1	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.1	155.5	-69.8	-68.8	0	0	0	108.6	S680 I681 L687 L807 V808 I810 I820 I832 I834	S680-F782 CarbonylContact O-C 3.42Å; S680-F782 WeakPolarHBondContact O-CA 3.46Å; I681-F782 HydrophobicContact CD1-CE1 3.94Å; I681-F782 HydrophobicContact CG1-CD1 3.68Å; I681-F782 HydrophobicContact CG1-CE1 3.54Å; L687-F782 HydrophobicContact CD1-CE1 4.39Å; F782-L807 CarbonylContact O-C 3.59Å; F782-L807 WeakPolarHBondContact O-CA 3.45Å; F782-V808 HydrophobicContact CB-CB 4.34Å; F782-V808 PolarHBondContact N-O 3.3Å; F782-V808 PolarHBondContact O-N 3.31Å; F782-I810 HydrophobicContact CD1-CD1 4.39Å; F782-I810 HydrophobicContact CD2-CD1 3.93Å; F782-I810 HydrophobicContact CD2-CG1 3.51Å; F782-I810 HydrophobicContact CE1-CD1 4.14Å; F782-I810 HydrophobicContact CE2-CD1 3.66Å; F782-I810 HydrophobicContact CE2-CG1 3.47Å; F782-I810 VanDerWaalsContact CE2-CG1 3.47Å; F782-I810 HydrophobicContact CG-CD1 4.29Å; F782-I810 HydrophobicContact CG-CG1 4.21Å; F782-I810 HydrophobicContact CZ-CD1 3.75Å; F782-I810 HydrophobicContact CZ-CG1 4.11Å; F782-I820 HydrophobicContact CE2-CD1 4.2Å; F782-I820 HydrophobicContact CZ-CD1 4Å; F782-I832 HydrophobicContact CE1-CG2 3.98Å; F782-I832 HydrophobicContact CE2-CG2 4.3Å; F782-I832 HydrophobicContact CZ-CG2 3.5Å; F782-I832 VanDerWaalsContact CZ-CG2 3.5Å; F782-I834 HydrophobicContact CB-CD1 4.27Å; F782-I834 HydrophobicContact CB-CG2 4.08Å; F782-I834 HydrophobicContact CD1-CD1 3.76Å; F782-I834 HydrophobicContact CD1-CG1 4.29Å; F782-I834 HydrophobicContact CD2-CB 4.44Å; F782-I834 HydrophobicContact CD2-CD1 4.19Å; F782-I834 HydrophobicContact CD2-CG1 3.92Å; F782-I834 HydrophobicContact CD2-CG2 3.87Å; F782-I834 HydrophobicContact CE1-CD1 4.08Å; F782-I834 HydrophobicContact CE1-CG1 4.33Å; F782-I834 HydrophobicContact CE2-CD1 4.47Å; F782-I834 HydrophobicContact CE2-CG1 3.96Å; F782-I834 HydrophobicContact CG-CD1 3.83Å; F782-I834 HydrophobicContact CG-CG1 4.09Å; F782-I834 HydrophobicContact CG-CG2 4.11Å; F782-I834 HydrophobicContact CZ-CD1 4.44Å; F782-I834 HydrophobicContact CZ-CG1 4.19Å
783	E	94.1	Very high	85.7	Confident	61 Å²	61	41.8 Å²	41.8	29%	0.285	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116	172.7	-178.6	179.6	-169.7	0	0	108.9	I679 S680 S805 L807	I679-E783 WeakPolarHBondContact CA-O 3.27Å; S680-E783 PolarHBondContact N-O 2.88Å; S680-E783 PolarHBondContact O-N 2.94Å; E783-S805 WeakPolarHBondContact OE1-CB 3.28Å; E783-S805 PolarHBondContact OE1-OG 3.29Å; E783-L807 HydrophobicContact CB-CD2 3.91Å; E783-L807 HydrophobicContact CG-CD2 4.05Å
784	V	94.2	Very high	83.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.9	172.4	-178.3	0	0	0	0	107.9	L677 R678 I679 S805 W806 I838 L886	L677-V784 HydrophobicContact CD1-CG1 3.99Å; R678-V784 CarbonylContact O-C 3.53Å; R678-V784 WeakPolarHBondContact O-CA 3.36Å; I679-V784 HydrophobicContact CG1-CG1 4.35Å; I679-V784 HydrophobicContact CG1-CG2 4.35Å; I679-V784 HydrophobicContact CG2-CG2 4.28Å; V784-S805 CarbonylContact O-C 3.59Å; V784-S805 WeakPolarHBondContact O-CA 3.28Å; V784-W806 HydrophobicContact CB-CE3 4.47Å; V784-W806 HydrophobicContact CG1-CE3 4.29Å; V784-W806 PolarHBondContact N-O 3.42Å; V784-W806 PolarHBondContact O-N 3.4Å; V784-I838 HydrophobicContact CG1-CB 4.42Å; V784-L886 HydrophobicContact CG1-CD1 4.47Å; V784-L886 HydrophobicContact CG2-CD1 4.44Å
785	S	94.6	Very high	82.3	Confident	25 Å²	25	50.6 Å²	50.6	18%	0.175	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.8	-178.7	73.2	0	0	0	0	111.4	R678 K804 S805	R678-S785 WeakPolarHBondContact CB-OG 3.29Å; R678-S785 PolarHBondContact N-O 3.42Å; R678-S785 PolarHBondContact O-N 3.2Å; S785-K804 WeakPolarHBondContact CA-O 3.45Å; S785-S805 VanDerWaalsContact CB-OG 3.28Å; S785-S805 WeakPolarHBondContact CB-OG 3.32Å
786	L	94.7	Very high	80.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	176.5	-177.3	60.4	0	0	0	109.2	V675 T676 L677 F752 F788 S803 K804 W806 I842 L850 V932	V675-L786 HydrophobicContact CG1-CD1 3.74Å; T676-L786 WeakPolarHBondContact O-CA 3.28Å; L677-L786 HydrophobicContact CB-CD1 4.34Å; L677-L786 HydrophobicContact CD1-CD1 4.38Å; F752-L786 HydrophobicContact CE2-CD1 4.19Å; F752-L786 HydrophobicContact CZ-CD1 3.62Å; L786-F788 HydrophobicContact CD1-CE2 4.23Å; L786-F788 HydrophobicContact CD2-CE2 3.82Å; L786-F788 HydrophobicContact CG-CD2 4.29Å; L786-F788 HydrophobicContact CG-CE2 3.79Å; L786-S803 CarbonylContact O-C 3.58Å; L786-S803 VanDerWaalsContact O-CA 3.29Å; L786-S803 WeakPolarHBondContact O-CA 3.34Å; L786-K804 PolarHBondContact N-O 3.32Å; L786-K804 PolarHBondContact O-N 3.46Å; L786-W806 HydrophobicContact CB-CH2 4.19Å; L786-W806 HydrophobicContact CB-CZ3 3.86Å; L786-W806 HydrophobicContact CD2-CH2 4.28Å; L786-W806 HydrophobicContact CD2-CZ3 4.49Å; L786-I842 HydrophobicContact CD2-CD1 3.59Å; L786-L850 HydrophobicContact CB-CD1 4.24Å; L786-L850 HydrophobicContact CD2-CD1 4.49Å; L786-L850 HydrophobicContact CG-CD1 4.13Å; L786-L850 WeakPolarHBondContact O-CD1 3.43Å; L786-V932 HydrophobicContact CD2-CG1 4.14Å
787	E	94.4	Very high	79.3	Confident	39 Å²	39	52.9 Å²	52.9	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.7	-177.9	-178.7	177.5	130.1	0	0	110.8	V675 T676 K801 H802	V675-E787 CarbonylContact C-O 3.58Å; V675-E787 VanDerWaalsContact CA-O 3.31Å; V675-E787 WeakPolarHBondContact CA-O 3.36Å; T676-E787 PolarHBondContact N-O 2.88Å; T676-E787 PolarHBondContact O-N 3.34Å; E787-K801 WeakPolarHBondContact OE1-CD 3.24Å; E787-K801 WeakPolarHBondContact OE1-CE 3.25Å; E787-K801 IonicContact OE1-NZ 2.73Å; E787-K801 PolarHBondContact OE1-NZ 3.09Å; E787-H802 CarbonylContact C-O 3.58Å; E787-H802 WeakPolarHBondContact CA-O 3.31Å
788	F	91.6	Very high	78.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.8	171.2	-73.9	-106.6	0	0	0	109.7	P672 V675 V750 L786 K801 H802 I842 V844 L850	P672-F788 HydrophobicContact CB-CB 4.5Å; P672-F788 HydrophobicContact CB-CD1 4.01Å; P672-F788 HydrophobicContact CG-CD1 3.9Å; P672-F788 HydrophobicContact CG-CE1 4.44Å; V675-F788 HydrophobicContact CB-CD1 4.41Å; V675-F788 HydrophobicContact CB-CE1 4.46Å; V675-F788 HydrophobicContact CG1-CD1 4.02Å; V675-F788 HydrophobicContact CG1-CD2 3.98Å; V675-F788 HydrophobicContact CG1-CE1 3.91Å; V675-F788 HydrophobicContact CG1-CE2 3.89Å; V675-F788 HydrophobicContact CG1-CG 4.06Å; V675-F788 HydrophobicContact CG1-CZ 3.85Å; V675-F788 HydrophobicContact CG2-CD1 3.49Å; V675-F788 VanDerWaalsContact CG2-CD1 3.49Å; V675-F788 HydrophobicContact CG2-CE1 3.62Å; V675-F788 HydrophobicContact CG2-CG 4.16Å; V675-F788 HydrophobicContact CG2-CZ 4.39Å; V750-F788 HydrophobicContact CG2-CE1 3.92Å; V750-F788 HydrophobicContact CG2-CZ 4.14Å; L786-F788 HydrophobicContact CD1-CE2 4.23Å; L786-F788 HydrophobicContact CD2-CE2 3.82Å; L786-F788 HydrophobicContact CG-CD2 4.29Å; L786-F788 HydrophobicContact CG-CE2 3.79Å; F788-K801 WeakPolarHBondContact O-CA 3.45Å; F788-H802 HydrophobicContact CB-CB 4.35Å; F788-H802 PolarHBondContact N-O 3.42Å; F788-H802 PolarHBondContact O-N 3.44Å; F788-I842 HydrophobicContact CE2-CG2 3.94Å; F788-I842 HydrophobicContact CZ-CG2 3.83Å; F788-V844 HydrophobicContact CB-CG1 4.18Å; F788-V844 HydrophobicContact CD1-CG2 3.8Å; F788-V844 HydrophobicContact CD2-CG2 4.15Å; F788-V844 HydrophobicContact CE1-CG2 3.84Å; F788-V844 HydrophobicContact CE2-CG2 4.16Å; F788-V844 HydrophobicContact CG-CG1 4.33Å; F788-V844 HydrophobicContact CG-CG2 3.96Å; F788-V844 HydrophobicContact CZ-CG2 4.02Å; F788-L850 HydrophobicContact CB-CD2 4.43Å; F788-L850 HydrophobicContact CD2-CD1 3.71Å; F788-L850 HydrophobicContact CD2-CD2 3.53Å; F788-L850 HydrophobicContact CD2-CG 4.26Å; F788-L850 HydrophobicContact CE2-CD1 4.06Å; F788-L850 HydrophobicContact CE2-CD2 4.06Å; F788-L850 HydrophobicContact CG-CD2 4.2Å
789	T	88.8	Confident	77.3	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.6	176.6	-58	0	0	0	0	109.8	P672 E673 K674 A799	P672-T789 CarbonylContact C-O 3.58Å; P672-T789 WeakPolarHBondContact CA-O 3.48Å; P672-T789 WeakPolarHBondContact CB-O 3.35Å; E673-T789 PolarHBondContact N-O 3.09Å; K674-T789 HydrophobicContact CG-CG2 4.14Å; K674-T789 PolarHBondContact O-N 3.41Å; T789-A799 HydrophobicContact CG2-CB 3.38Å
790	R	80.7	Confident	76.8	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.8	-176.6	-75.5	-179.4	153.1	169.4	-0.5	113.4	S670 P672 Y792 A799 L800 V844 P845	S670-R790 PolarHBondContact O-NE 3.48Å; P672-R790 HydrophobicContact CB-CG 4.03Å; R790-Y792 PolarHBondContact O-N 2.87Å; R790-A799 CarbonylContact O-C 3.59Å; R790-A799 WeakPolarHBondContact O-CA 3.19Å; R790-L800 PolarHBondContact N-O 3Å; R790-L800 PolarHBondContact O-N 3.09Å; R790-V844 PolarHBondContact NH1-O 2.92Å; R790-V844 VanDerWaalsContact NH1-O 3.11Å; R790-V844 PolarHBondContact NH2-O 3.23Å; R790-P845 PolarHBondContact NH1-O 2.86Å
791	P	72.6	Confident	76.7	Confident	59 Å²	59	53.1 Å²	53.1	38%	0.383	30%	0.295	S	S	.	.			trans	-76	107.6	165.7	31	-29.2	0	0	0	108.7	M671	M671-P791 VanDerWaalsContact O-CD 3.24Å; M671-P791 WeakPolarHBondContact O-CD 2.92Å
792	Y	64.1	Low	76.5	Confident	36 Å²	36	51.5 Å²	51.5	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-88.5	-34.9	179.4	-169.6	-85.2	0	0	0	112	R790 A939 F940 A945	R790-Y792 PolarHBondContact O-N 2.87Å; Y792-A939 HydrophobicContact CD2-CB 4.07Å; Y792-A939 HydrophobicContact CE2-CB 3.69Å; Y792-F940 PolarHBondContact OH-N 3.25Å; Y792-A945 HydrophobicContact CD1-CB 4.46Å; Y792-A945 HydrophobicContact CE1-CB 3.22Å; Y792-A945 WeakPolarHBondContact OH-CB 3.32Å
793	D	61.3	Low	76.5	Confident	31 Å²	31	53.8 Å²	53.8	17%	0.166	30%	0.303	C	S	.	.			trans	-134.3	124.4	174.8	-168.1	-25.8	0	0	0	107.8	N795 E796	D793-N795 PolarHBondContact O-N 2.83Å; D793-N795 WeakPolarHBondContact OD1-CB 3.47Å; D793-N795 PolarHBondContact OD1-N 3.26Å; D793-E796 HydrophobicContact CB-CB 4.06Å; D793-E796 PolarHBondContact O-N 2.74Å
794	P	52.2	Low	76.4	Confident	117 Å²	117	53.3 Å²	53.3	76%	0.76	30%	0.3	S	S	*	.	S	Bend	trans	-58.7	-17	173.8	23.1	-32.4	0	0	0	112.9
795	N	53.9	Low	76.3	Confident	137 Å²	137	56.2 Å²	56.2	73%	0.733	32%	0.32	S	S	*	.	S	Bend	trans	-103.9	-22.2	-177.5	-61.3	-31.8	0	0	0	114.5	D793	D793-N795 PolarHBondContact O-N 2.83Å; D793-N795 WeakPolarHBondContact OD1-CB 3.47Å; D793-N795 PolarHBondContact OD1-N 3.26Å
796	E	55.3	Low	76.2	Confident	93 Å²	93	55.5 Å²	55.5	44%	0.435	31%	0.314	S	S	.	.	S	Bend	trans	-96	106.1	169.3	-71.1	-172.6	163.5	0	0	107.9	D793 A798 K949	D793-E796 HydrophobicContact CB-CB 4.06Å; D793-E796 PolarHBondContact O-N 2.74Å; E796-A798 PolarHBondContact O-N 2.89Å; E796-K949 IonicContact OE2-NZ 3.71Å; E796-K949 PolarHBondContact OE2-NZ 3.37Å; E796-K949 VanDerWaalsContact OE2-NZ 3.08Å
797	N	49.6	Very low	76	Confident	169 Å²	169	59.1 Å²	59.1	90%	0.904	33%	0.333	S	S	*	.			trans	-59.1	9.4	176.7	-69.4	-31.5	0	0	0	115	A799	N797-A799 PolarHBondContact O-N 3.48Å
798	A	58.1	Low	75.8	Confident	70 Å²	70	57.8 Å²	57.8	58%	0.579	33%	0.327	S	S	*	.			trans	-89.9	88.7	174.4	0	0	0	0	0	108.9	E796 L800	E796-A798 PolarHBondContact O-N 2.89Å; A798-L800 PolarHBondContact O-N 2.89Å
799	A	64.1	Low	75.6	Confident	39 Å²	39	61.9 Å²	61.9	32%	0.322	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.2	128.9	167.4	0	0	0	0	0	109.4	T789 R790 N797 K801	T789-A799 HydrophobicContact CG2-CB 3.38Å; R790-A799 CarbonylContact O-C 3.59Å; R790-A799 WeakPolarHBondContact O-CA 3.19Å; N797-A799 PolarHBondContact O-N 3.48Å; A799-K801 PolarHBondContact O-N 2.74Å
800	L	75.3	Confident	75.6	Confident	61 Å²	61	62.1 Å²	62.1	32%	0.319	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.1	177.4	-139	77.5	0	0	0	108.1	R790 A798 N846 Q847	R790-L800 PolarHBondContact N-O 3Å; R790-L800 PolarHBondContact O-N 3.09Å; A798-L800 PolarHBondContact O-N 2.89Å; L800-N846 WeakPolarHBondContact CD2-O 3.32Å; L800-Q847 HydrophobicContact CD2-CG 4.35Å
801	K	85	Confident	75.8	Confident	126 Å²	126	64.8 Å²	64.8	55%	0.548	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.7	177.8	-68.6	179.9	168.5	-130.8	0	109.9	E787 F788 A799	E787-K801 WeakPolarHBondContact OE1-CD 3.24Å; E787-K801 WeakPolarHBondContact OE1-CE 3.25Å; E787-K801 IonicContact OE1-NZ 2.73Å; E787-K801 PolarHBondContact OE1-NZ 3.09Å; F788-K801 WeakPolarHBondContact O-CA 3.45Å; A799-K801 PolarHBondContact O-N 2.74Å
802	H	88.9	Confident	76.3	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.009	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	104.2	174.4	-56	-87.9	0	0	0	108.2	E787 F788 V844 P845 G848 L850	E787-H802 CarbonylContact C-O 3.58Å; E787-H802 WeakPolarHBondContact CA-O 3.31Å; F788-H802 HydrophobicContact CB-CB 4.35Å; F788-H802 PolarHBondContact N-O 3.42Å; F788-H802 PolarHBondContact O-N 3.44Å; H802-V844 HydrophobicContact CB-CG1 4.27Å; H802-P845 PolarHBondContact CE1-O 3.42Å; H802-G848 PolarHBondContact ND1-O 2.89Å; H802-L850 HydrophobicContact CB-CD2 3.7Å; H802-L850 HydrophobicContact CB-CG 4.12Å; H802-L850 WeakPolarHBondContact O-CD1 3.37Å; H802-L850 WeakPolarHBondContact O-CG 3.41Å
803	S	91.9	Very high	77.3	Confident	54 Å²	54	68.5 Å²	68.5	38%	0.378	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151	-177.3	57.6	0	0	0	0	112.2	L786	L786-S803 CarbonylContact O-C 3.58Å; L786-S803 VanDerWaalsContact O-CA 3.29Å; L786-S803 WeakPolarHBondContact O-CA 3.34Å
804	K	93.6	Very high	78.4	Confident	52 Å²	52	74.6 Å²	74.6	23%	0.226	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	134.5	167.6	-176.6	157.6	-176.9	170.6	0	111.2	S785 L786 W806 L850	S785-K804 WeakPolarHBondContact CA-O 3.45Å; L786-K804 PolarHBondContact N-O 3.32Å; L786-K804 PolarHBondContact O-N 3.46Å; K804-W806 HydrophobicContact CB-CZ2 4.45Å; K804-W806 HydrophobicContact CD-CZ2 3.97Å; K804-W806 HydrophobicContact CG-CH2 4.49Å; K804-W806 HydrophobicContact CG-CZ2 4Å; K804-L850 HydrophobicContact CB-CB 3.91Å; K804-L850 HydrophobicContact CB-CD1 4.18Å; K804-L850 HydrophobicContact CB-CG 4.43Å; K804-L850 HydrophobicContact CD-CB 4.36Å; K804-L850 WeakPolarHBondContact CD-O 3.4Å; K804-L850 PolarHBondContact NZ-O 3.5Å; K804-L850 VanDerWaalsContact NZ-O 3.15Å
805	S	92.4	Very high	80.1	Confident	60 Å²	60	73.1 Å²	73.1	42%	0.42	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.9	174.6	-64.8	0	0	0	0	110.9	E783 V784 S785	E783-S805 WeakPolarHBondContact OE1-CB 3.28Å; E783-S805 PolarHBondContact OE1-OG 3.29Å; V784-S805 CarbonylContact O-C 3.59Å; V784-S805 WeakPolarHBondContact O-CA 3.28Å; S785-S805 VanDerWaalsContact CB-OG 3.28Å; S785-S805 WeakPolarHBondContact CB-OG 3.32Å
806	W	91.2	Very high	81.7	Confident	10 Å²	10	69.8 Å²	69.8	4%	0.038	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124	169.6	-60.5	-83.9	0	0	0	109.8	V784 L786 K804 P839 I842 L852 F883	V784-W806 HydrophobicContact CB-CE3 4.47Å; V784-W806 HydrophobicContact CG1-CE3 4.29Å; V784-W806 PolarHBondContact N-O 3.42Å; V784-W806 PolarHBondContact O-N 3.4Å; L786-W806 HydrophobicContact CB-CH2 4.19Å; L786-W806 HydrophobicContact CB-CZ3 3.86Å; L786-W806 HydrophobicContact CD2-CH2 4.28Å; L786-W806 HydrophobicContact CD2-CZ3 4.49Å; K804-W806 HydrophobicContact CB-CZ2 4.45Å; K804-W806 HydrophobicContact CD-CZ2 3.97Å; K804-W806 HydrophobicContact CG-CH2 4.49Å; K804-W806 HydrophobicContact CG-CZ2 4Å; W806-P839 HydrophobicContact CH2-CG 3.58Å; W806-P839 HydrophobicContact CZ2-CG 3.51Å; W806-P839 HydrophobicContact CZ3-CG 4.34Å; W806-I842 HydrophobicContact CH2-CD1 3.75Å; W806-I842 HydrophobicContact CZ2-CD1 4.19Å; W806-L852 HydrophobicContact CZ2-CD2 4.19Å; W806-F883 AromaticContact CD1-CE2 3.77Å; W806-F883 HydrophobicContact CG-CE2 4.29Å; W806-F883 AromaticContact NE1-CE2 3.67Å; W806-F883 AromaticContact NE1-CZ 3.9Å
807	L	91.1	Very high	83.3	Confident	77 Å²	77	65.8 Å²	65.8	40%	0.403	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118	172.7	-62.1	174.6	0	0	0	109.3	N781 F782 E783 R880	N781-L807 HydrophobicContact CB-CB 4.33Å; N781-L807 HydrophobicContact CB-CD2 4.34Å; F782-L807 CarbonylContact O-C 3.59Å; F782-L807 WeakPolarHBondContact O-CA 3.45Å; E783-L807 HydrophobicContact CB-CD2 3.91Å; E783-L807 HydrophobicContact CG-CD2 4.05Å; L807-R880 PolarHBondContact O-NH1 3.43Å
808	V	89.2	Confident	85.1	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.067	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114	177.4	-178.4	0	0	0	0	108.5	N781 F782 I810 I834	N781-V808 CarbonylContact C-O 3.57Å; N781-V808 WeakPolarHBondContact CA-O 3.21Å; F782-V808 HydrophobicContact CB-CB 4.34Å; F782-V808 PolarHBondContact N-O 3.3Å; F782-V808 PolarHBondContact O-N 3.31Å; V808-I810 PolarHBondContact O-N 2.83Å; V808-I834 HydrophobicContact CB-CG2 4.22Å; V808-I834 HydrophobicContact CG1-CG2 4.1Å; V808-I834 HydrophobicContact CG2-CG2 4.38Å
809	P	88.7	Confident	86.6	Confident	86 Å²	86	62.5 Å²	62.5	56%	0.558	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	132.2	-177.2	27.3	-33.4	0	0	0	111.7	N781 S811	N781-P809 VanDerWaalsContact OD1-CA 3.31Å; N781-P809 WeakPolarHBondContact OD1-CA 3.29Å; P809-S811 PolarHBondContact O-N 2.96Å
810	I	87.9	Confident	87.9	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.051	33%	0.332	C	S	.	.			trans	-77.4	116.5	173.2	-56.8	179.9	0	0	0	108.2	L774 V780 F782 V808 L812 R817 I820	L774-I810 HydrophobicContact CD2-CD1 3.94Å; V780-I810 HydrophobicContact CB-CD1 4.21Å; V780-I810 HydrophobicContact CG1-CD1 3.96Å; V780-I810 VanDerWaalsContact O-CB 3.25Å; V780-I810 WeakPolarHBondContact O-CB 3.39Å; V780-I810 VanDerWaalsContact O-CG1 3.28Å; V780-I810 WeakPolarHBondContact O-CG1 3.41Å; V780-I810 PolarHBondContact O-N 3.47Å; F782-I810 HydrophobicContact CD1-CD1 4.39Å; F782-I810 HydrophobicContact CD2-CD1 3.93Å; F782-I810 HydrophobicContact CD2-CG1 3.51Å; F782-I810 HydrophobicContact CE1-CD1 4.14Å; F782-I810 HydrophobicContact CE2-CD1 3.66Å; F782-I810 HydrophobicContact CE2-CG1 3.47Å; F782-I810 VanDerWaalsContact CE2-CG1 3.47Å; F782-I810 HydrophobicContact CG-CD1 4.29Å; F782-I810 HydrophobicContact CG-CG1 4.21Å; F782-I810 HydrophobicContact CZ-CD1 3.75Å; F782-I810 HydrophobicContact CZ-CG1 4.11Å; V808-I810 PolarHBondContact O-N 2.83Å; I810-L812 PolarHBondContact O-N 3.4Å; I810-R817 HydrophobicContact CG2-CG 4.27Å; I810-R817 PolarHBondContact O-NH2 2.84Å; I810-I820 HydrophobicContact CG2-CD1 3.68Å
811	S	84.4	Confident	88.6	Confident	60 Å²	60	59.6 Å²	59.6	42%	0.42	32%	0.324	S	S	.	.			trans	-45.3	139.6	177.1	-179.5	0	0	0	0	111.9	P809 D813 R817	P809-S811 PolarHBondContact O-N 2.96Å; S811-D813 PolarHBondContact O-N 3.1Å; S811-D813 WeakPolarHBondContact OG-CB 3.46Å; S811-D813 PolarHBondContact OG-N 2.75Å; S811-R817 PolarHBondContact O-NE 2.78Å
812	L	84	Confident	88.8	Confident	104 Å²	104	55 Å²	55	55%	0.545	31%	0.308	S	S	.	.			trans	-72.1	-4.1	175	-63.3	173	0	0	0	112.3	N777 I810 M814 R817	N777-L812 WeakPolarHBondContact OD1-CD2 3.42Å; I810-L812 PolarHBondContact O-N 3.4Å; L812-M814 PolarHBondContact O-N 3.01Å; L812-M814 VanDerWaalsContact O-N 3.16Å; L812-R817 VanDerWaalsContact CD2-NH2 3.26Å
813	D	85.4	Confident	88.9	Confident	70 Å²	70	55 Å²	55	37%	0.374	31%	0.309	S	S	.	.			trans	-59	118.4	174.9	-173.1	-10.5	0	0	0	110.8	S811 T815 I816 R817	S811-D813 PolarHBondContact O-N 3.1Å; S811-D813 WeakPolarHBondContact OG-CB 3.46Å; S811-D813 PolarHBondContact OG-N 2.75Å; D813-T815 PolarHBondContact O-N 3.23Å; D813-T815 WeakPolarHBondContact OD1-CB 3.36Å; D813-T815 PolarHBondContact OD1-N 2.84Å; D813-T815 PolarHBondContact OD1-OG1 3.03Å; D813-T815 PolarHBondContact OD2-OG1 2.79Å; D813-I816 HydrophobicContact CB-CB 4.41Å; D813-I816 HydrophobicContact CB-CD1 4.04Å; D813-I816 HydrophobicContact CB-CG1 4.15Å; D813-I816 PolarHBondContact O-N 2.96Å; D813-R817 PolarHBondContact O-N 2.76Å
814	M	84	Confident	88.8	Confident	158 Å²	158	52.4 Å²	52.4	78%	0.778	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-27.4	-178.4	-161.1	170.9	-169.3	0	0	111.8	L812 A818	L812-M814 PolarHBondContact O-N 3.01Å; L812-M814 VanDerWaalsContact O-N 3.16Å; M814-A818 WeakPolarHBondContact O-CB 3.36Å; M814-A818 PolarHBondContact O-N 2.85Å
815	T	87.6	Confident	88.5	Confident	86 Å²	86	56.7 Å²	56.7	53%	0.528	31%	0.305	S	S	.	.	H	α-helix	trans	-70	-42.1	178.1	68.1	0	0	0	0	112	D813 A818 K819	D813-T815 PolarHBondContact O-N 3.23Å; D813-T815 WeakPolarHBondContact OD1-CB 3.36Å; D813-T815 PolarHBondContact OD1-N 2.84Å; D813-T815 PolarHBondContact OD1-OG1 3.03Å; D813-T815 PolarHBondContact OD2-OG1 2.79Å; T815-A818 PolarHBondContact O-N 2.96Å; T815-K819 WeakPolarHBondContact O-CG 3.41Å; T815-K819 PolarHBondContact O-N 3.36Å; T815-K819 VanDerWaalsContact O-N 3.1Å
816	I	87.2	Confident	88	Confident	67 Å²	67	54.5 Å²	54.5	34%	0.344	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-45.7	177.1	-61.6	176.7	0	0	0	109.3	D813 A818 K819 I820	D813-I816 HydrophobicContact CB-CB 4.41Å; D813-I816 HydrophobicContact CB-CD1 4.04Å; D813-I816 HydrophobicContact CB-CG1 4.15Å; D813-I816 PolarHBondContact O-N 2.96Å; I816-A818 VanDerWaalsContact C-N 3.33Å; I816-A818 PolarHBondContact O-N 2.84Å; I816-K819 WeakPolarHBondContact O-CB 3.42Å; I816-K819 PolarHBondContact O-N 3.33Å; I816-I820 HydrophobicContact CG2-CD1 4.03Å; I816-I820 WeakPolarHBondContact O-CG1 3.05Å; I816-I820 PolarHBondContact O-N 2.98Å
817	R	89	Confident	87.6	Confident	10 Å²	10	57.7 Å²	57.7	4%	0.038	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-39.6	176.9	-70.9	-179.5	172.7	-133	-3.1	112.2	L774 R776 T778 I810 S811 L812 D813 I820 Q821	L774-R817 PolarHBondContact O-NH1 3.07Å; R776-R817 PolarHBondContact O-NH1 3.05Å; T778-R817 PolarHBondContact O-NH1 2.74Å; T778-R817 VanDerWaalsContact O-NH1 3.1Å; T778-R817 PolarHBondContact O-NH2 3.01Å; I810-R817 HydrophobicContact CG2-CG 4.27Å; I810-R817 PolarHBondContact O-NH2 2.84Å; S811-R817 PolarHBondContact O-NE 2.78Å; L812-R817 VanDerWaalsContact CD2-NH2 3.26Å; D813-R817 PolarHBondContact O-N 2.76Å; R817-I820 PolarHBondContact O-N 3.26Å; R817-Q821 WeakPolarHBondContact O-CB 3.21Å; R817-Q821 WeakPolarHBondContact O-CG 3.32Å; R817-Q821 PolarHBondContact O-N 2.83Å
818	A	88.3	Confident	87	Confident	43 Å²	43	60 Å²	60	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-42.2	174.4	0	0	0	0	0	111.7	M814 T815 I816 Q821 S822	M814-A818 WeakPolarHBondContact O-CB 3.36Å; M814-A818 PolarHBondContact O-N 2.85Å; T815-A818 PolarHBondContact O-N 2.96Å; I816-A818 VanDerWaalsContact C-N 3.33Å; I816-A818 PolarHBondContact O-N 2.84Å; A818-Q821 WeakPolarHBondContact O-CB 3.49Å; A818-Q821 PolarHBondContact O-N 3.38Å; A818-S822 PolarHBondContact O-N 2.91Å; A818-S822 PolarHBondContact O-OG 3.18Å
819	K	89.1	Confident	86.6	Confident	126 Å²	126	63 Å²	63	55%	0.548	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-45	174.2	-72.4	175.7	179.5	-179.4	0	112.2	T815 I816 Q821 S822 A823	T815-K819 WeakPolarHBondContact O-CG 3.41Å; T815-K819 PolarHBondContact O-N 3.36Å; T815-K819 VanDerWaalsContact O-N 3.1Å; I816-K819 WeakPolarHBondContact O-CB 3.42Å; I816-K819 PolarHBondContact O-N 3.33Å; K819-Q821 VanDerWaalsContact C-N 3.32Å; K819-Q821 PolarHBondContact O-N 2.94Å; K819-S822 PolarHBondContact O-N 3.37Å; K819-A823 WeakPolarHBondContact O-CB 3.38Å; K819-A823 PolarHBondContact O-N 3.04Å
820	I	90.6	Very high	86.6	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-41.9	176	-63.1	167.2	0	0	0	110.1	L774 F782 I810 I816 R817 A823 L824 I832	L774-I820 HydrophobicContact CD1-CG2 3.75Å; F782-I820 HydrophobicContact CE2-CD1 4.2Å; F782-I820 HydrophobicContact CZ-CD1 4Å; I810-I820 HydrophobicContact CG2-CD1 3.68Å; I816-I820 HydrophobicContact CG2-CD1 4.03Å; I816-I820 WeakPolarHBondContact O-CG1 3.05Å; I816-I820 PolarHBondContact O-N 2.98Å; R817-I820 PolarHBondContact O-N 3.26Å; I820-A823 WeakPolarHBondContact O-CB 3.46Å; I820-A823 PolarHBondContact O-N 3.27Å; I820-L824 HydrophobicContact CG2-CD1 3.9Å; I820-L824 HydrophobicContact CG2-CG 4.22Å; I820-L824 WeakPolarHBondContact O-CB 3.13Å; I820-L824 VanDerWaalsContact O-CG 3.23Å; I820-L824 WeakPolarHBondContact O-CG 3.49Å; I820-L824 PolarHBondContact O-N 3.34Å; I820-I832 HydrophobicContact CG1-CG2 4.38Å; I820-I832 HydrophobicContact CG2-CD1 4.26Å; I820-I832 HydrophobicContact CG2-CG1 4.47Å
821	Q	90.1	Very high	86.7	Confident	35 Å²	35	64.8 Å²	64.8	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-62.3	-44.7	176.7	-71.6	170.3	37.9	0	0	112.1	I771 L774 R817 A818 K819 L824 R825	I771-Q821 HydrophobicContact CG2-CG 4.27Å; L774-Q821 HydrophobicContact CB-CG 4.13Å; L774-Q821 PolarHBondContact O-NE2 2.94Å; R817-Q821 WeakPolarHBondContact O-CB 3.21Å; R817-Q821 WeakPolarHBondContact O-CG 3.32Å; R817-Q821 PolarHBondContact O-N 2.83Å; A818-Q821 WeakPolarHBondContact O-CB 3.49Å; A818-Q821 PolarHBondContact O-N 3.38Å; K819-Q821 VanDerWaalsContact C-N 3.32Å; K819-Q821 PolarHBondContact O-N 2.94Å; Q821-L824 PolarHBondContact O-N 3.13Å; Q821-R825 WeakPolarHBondContact O-CB 3.44Å; Q821-R825 VanDerWaalsContact O-CG 3.31Å; Q821-R825 WeakPolarHBondContact O-CG 3.49Å; Q821-R825 PolarHBondContact O-N 3.48Å
822	S	90.2	Very high	87.1	Confident	29 Å²	29	61.9 Å²	61.9	20%	0.203	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-41.8	175	-59.7	0	0	0	0	111.8	A818 K819 R825 G826 D827	A818-S822 PolarHBondContact O-N 2.91Å; A818-S822 PolarHBondContact O-OG 3.18Å; K819-S822 PolarHBondContact O-N 3.37Å; S822-R825 PolarHBondContact O-N 2.98Å; S822-G826 PolarHBondContact O-N 2.94Å; S822-D827 PolarHBondContact O-N 3.11Å; S822-D827 VanDerWaalsContact O-N 3.08Å
823	A	90.6	Very high	87.4	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-60.9	-46.1	174.6	0	0	0	0	0	111.7	K819 I820 R825 G826 H830 I832 W901	K819-A823 WeakPolarHBondContact O-CB 3.38Å; K819-A823 PolarHBondContact O-N 3.04Å; I820-A823 WeakPolarHBondContact O-CB 3.46Å; I820-A823 PolarHBondContact O-N 3.27Å; A823-R825 VanDerWaalsContact C-N 3.3Å; A823-R825 PolarHBondContact O-N 3.15Å; A823-G826 PolarHBondContact O-N 3Å; A823-H830 HydrophobicContact CB-CB 4.23Å; A823-H830 WeakPolarHBondContact CB-O 3.43Å; A823-I832 HydrophobicContact CB-CD1 4.03Å; A823-I832 HydrophobicContact CB-CG1 3.52Å; A823-W901 HydrophobicContact CB-CH2 4.43Å
824	L	89.3	Confident	87.7	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.8	-29	176.9	-70	173.5	0	0	0	112.4	I681 L687 W760 R767 M770 I771 L774 I820 Q821 G826 I832 W901	I681-L824 HydrophobicContact CD1-CD1 4.27Å; I681-L824 HydrophobicContact CD1-CD2 4.4Å; L687-L824 HydrophobicContact CD2-CD2 4.15Å; W760-L824 HydrophobicContact CH2-CD2 3.81Å; W760-L824 HydrophobicContact CZ2-CD2 4.2Å; R767-L824 PolarHBondContact NE-O 2.97Å; R767-L824 PolarHBondContact NH2-O 3.17Å; M770-L824 HydrophobicContact CG-CD1 4.02Å; M770-L824 HydrophobicContact SD-CD1 3.61Å; M770-L824 HydrophobicContact SD-CD2 3.73Å; M770-L824 HydrophobicContact SD-CG 4.31Å; I771-L824 HydrophobicContact CD1-CB 4.38Å; I771-L824 HydrophobicContact CG1-CB 4.13Å; I771-L824 HydrophobicContact CG1-CD1 4.37Å; L774-L824 HydrophobicContact CD1-CD1 3.38Å; I820-L824 HydrophobicContact CG2-CD1 3.9Å; I820-L824 HydrophobicContact CG2-CG 4.22Å; I820-L824 WeakPolarHBondContact O-CB 3.13Å; I820-L824 VanDerWaalsContact O-CG 3.23Å; I820-L824 WeakPolarHBondContact O-CG 3.49Å; I820-L824 PolarHBondContact O-N 3.34Å; Q821-L824 PolarHBondContact O-N 3.13Å; L824-G826 VanDerWaalsContact C-N 3.27Å; L824-I832 HydrophobicContact CD2-CD1 4.3Å; L824-I832 HydrophobicContact CG-CD1 4.48Å; L824-W901 HydrophobicContact CD2-CH2 4.32Å; L824-W901 HydrophobicContact CD2-CZ2 4.03Å
825	R	87.7	Confident	87.9	Confident	142 Å²	142	54 Å²	54	54%	0.536	31%	0.313	S	S	.	.	H	α-helix	trans	-73.4	-18.5	171.7	-75.9	176.7	-176.4	-179.2	3.2	113.1	R767 I771 Q821 S822 A823	R767-R825 PolarHBondContact NH2-O 3.06Å; I771-R825 HydrophobicContact CD1-CG 3.9Å; Q821-R825 WeakPolarHBondContact O-CB 3.44Å; Q821-R825 VanDerWaalsContact O-CG 3.31Å; Q821-R825 WeakPolarHBondContact O-CG 3.49Å; Q821-R825 PolarHBondContact O-N 3.48Å; S822-R825 PolarHBondContact O-N 2.98Å; A823-R825 VanDerWaalsContact C-N 3.3Å; A823-R825 PolarHBondContact O-N 3.15Å
826	G	82.3	Confident	87.9	Confident	14 Å²	14	52.1 Å²	52.1	14%	0.144	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	25.7	177.8	0	0	0	0	0	113.3	S822 A823 L824 Q892	S822-G826 PolarHBondContact O-N 2.94Å; A823-G826 PolarHBondContact O-N 3Å; L824-G826 VanDerWaalsContact C-N 3.27Å; G826-Q892 PolarHBondContact O-NE2 2.77Å
827	D	83.4	Confident	88.1	Confident	76 Å²	76	49 Å²	49	41%	0.406	28%	0.282	S	S	.	.			trans	-70	125.9	172.9	-64	-31.7	0	0	0	109.1	S822	S822-D827 PolarHBondContact O-N 3.11Å; S822-D827 VanDerWaalsContact O-N 3.08Å
828	P	78.1	Confident	88.2	Confident	125 Å²	125	48.5 Å²	48.5	81%	0.812	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	145.5	-178.5	24.8	-32.8	0	0	0	111	H830	P828-H830 PolarHBondContact O-ND1 3.22Å
829	G	81.4	Confident	88.4	Confident	75 Å²	75	46.5 Å²	46.5	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	8.6	174.9	0	0	0	0	0	116.5	P831	G829-P831 WeakPolarHBondContact O-CD 3.12Å
830	H	87.6	Confident	88.5	Confident	75 Å²	75	40.7 Å²	40.7	35%	0.347	24%	0.239	S	C	.	.			trans	-113	93	177.7	-63.8	82.7	0	0	0	111.4	A823 P828	A823-H830 HydrophobicContact CB-CB 4.23Å; A823-H830 WeakPolarHBondContact CB-O 3.43Å; P828-H830 PolarHBondContact O-ND1 3.22Å
831	P	90	Very high	88.6	Confident	58 Å²	58	40.6 Å²	40.6	38%	0.377	24%	0.238	S	C	.	.			trans	-72.8	147.1	172.9	25.1	-31.1	0	0	0	112.5	G829 T887 L888 N889	G829-P831 WeakPolarHBondContact O-CD 3.12Å; P831-T887 HydrophobicContact CB-CG2 3.59Å; P831-L888 WeakPolarHBondContact CA-O 3.44Å; P831-N889 WeakPolarHBondContact CB-OD1 3.4Å
832	I	92.2	Very high	88.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.1	165.5	-60	176.2	0	0	0	108.1	L687 F782 I820 A823 L824 I834 T887 L888 W901	L687-I832 HydrophobicContact CD1-CD1 4.47Å; F782-I832 HydrophobicContact CE1-CG2 3.98Å; F782-I832 HydrophobicContact CE2-CG2 4.3Å; F782-I832 HydrophobicContact CZ-CG2 3.5Å; F782-I832 VanDerWaalsContact CZ-CG2 3.5Å; I820-I832 HydrophobicContact CG1-CG2 4.38Å; I820-I832 HydrophobicContact CG2-CD1 4.26Å; I820-I832 HydrophobicContact CG2-CG1 4.47Å; A823-I832 HydrophobicContact CB-CD1 4.03Å; A823-I832 HydrophobicContact CB-CG1 3.52Å; L824-I832 HydrophobicContact CD2-CD1 4.3Å; L824-I832 HydrophobicContact CG-CD1 4.48Å; I832-I834 HydrophobicContact CG2-CG1 4.06Å; I832-T887 CarbonylContact O-C 3.45Å; I832-T887 WeakPolarHBondContact O-CA 3.11Å; I832-L888 HydrophobicContact CB-CB 4.2Å; I832-L888 PolarHBondContact N-O 3.46Å; I832-L888 PolarHBondContact O-N 3.33Å; I832-W901 HydrophobicContact CD1-CH2 3.5Å; I832-W901 HydrophobicContact CD1-CZ2 4.38Å; I832-W901 HydrophobicContact CD1-CZ3 3.69Å; I832-W901 HydrophobicContact CG1-CH2 4.33Å; I832-W901 HydrophobicContact CG1-CZ3 4.18Å
833	L	91.7	Very high	88.9	Confident	100 Å²	100	39.2 Å²	39.2	52%	0.524	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	174.3	-178	68.1	0	0	0	109.9	T887	L833-T887 WeakPolarHBondContact CD1-OG1 3.46Å
834	I	91.5	Very high	88.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	96.3	174.5	-46.5	178.6	0	0	0	107.6	I679 F782 V808 I832 S837 S885 L886 L888	I679-I834 HydrophobicContact CG2-CD1 3.68Å; F782-I834 HydrophobicContact CB-CD1 4.27Å; F782-I834 HydrophobicContact CB-CG2 4.08Å; F782-I834 HydrophobicContact CD1-CD1 3.76Å; F782-I834 HydrophobicContact CD1-CG1 4.29Å; F782-I834 HydrophobicContact CD2-CB 4.44Å; F782-I834 HydrophobicContact CD2-CD1 4.19Å; F782-I834 HydrophobicContact CD2-CG1 3.92Å; F782-I834 HydrophobicContact CD2-CG2 3.87Å; F782-I834 HydrophobicContact CE1-CD1 4.08Å; F782-I834 HydrophobicContact CE1-CG1 4.33Å; F782-I834 HydrophobicContact CE2-CD1 4.47Å; F782-I834 HydrophobicContact CE2-CG1 3.96Å; F782-I834 HydrophobicContact CG-CD1 3.83Å; F782-I834 HydrophobicContact CG-CG1 4.09Å; F782-I834 HydrophobicContact CG-CG2 4.11Å; F782-I834 HydrophobicContact CZ-CD1 4.44Å; F782-I834 HydrophobicContact CZ-CG1 4.19Å; V808-I834 HydrophobicContact CB-CG2 4.22Å; V808-I834 HydrophobicContact CG1-CG2 4.1Å; V808-I834 HydrophobicContact CG2-CG2 4.38Å; I832-I834 HydrophobicContact CG2-CG1 4.06Å; I834-S837 PolarHBondContact O-OG 2.78Å; I834-S885 WeakPolarHBondContact O-CA 3.43Å; I834-L886 HydrophobicContact CB-CB 4.38Å; I834-L886 PolarHBondContact N-O 2.86Å; I834-L886 PolarHBondContact O-N 2.83Å; I834-L888 HydrophobicContact CD1-CD1 3.94Å
835	P	88.5	Confident	88.7	Confident	67 Å²	67	39.8 Å²	39.8	44%	0.435	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.9	-178.3	28.7	-33.9	0	0	0	111.4	S837	P835-S837 PolarHBondContact O-N 2.99Å
836	Q	88	Confident	88.2	Confident	46 Å²	46	34.5 Å²	34.5	22%	0.215	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.7	54.5	168.9	-62	173.6	-22.8	0	0	114.2	M873 R880 F883 S885	Q836-M873 VanDerWaalsContact NE2-CE 3.27Å; Q836-R880 HydrophobicContact CB-CB 4.48Å; Q836-F883 HydrophobicContact CB-CB 4.27Å; Q836-S885 PolarHBondContact N-OG 3.17Å
837	S	90.1	Very high	87.8	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-30.1	-160.5	64	0	0	0	0	114.6	I834 P835 D884 L886	I834-S837 PolarHBondContact O-OG 2.78Å; P835-S837 PolarHBondContact O-N 2.99Å; S837-D884 PolarHBondContact N-O 3.1Å; S837-D884 PolarHBondContact OG-O 2.97Å; S837-L886 WeakPolarHBondContact OG-CB 3.44Å; S837-L886 VanDerWaalsContact OG-CD1 3.24Å; S837-L886 WeakPolarHBondContact OG-CD1 3.24Å; S837-L886 WeakPolarHBondContact OG-CG 3.34Å; S837-L886 PolarHBondContact OG-N 2.81Å
838	I	92	Very high	87.5	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.2	-179.3	-167.7	173.4	0	0	0	110.6	L677 V784 F883 D884 L886 V932	L677-I838 HydrophobicContact CD1-CD1 3.72Å; L677-I838 HydrophobicContact CD2-CD1 3.78Å; L677-I838 HydrophobicContact CG-CD1 4.44Å; V784-I838 HydrophobicContact CG1-CB 4.42Å; I838-F883 CarbonylContact O-C 3.55Å; I838-F883 WeakPolarHBondContact O-CB 3.49Å; I838-D884 HydrophobicContact CG2-CB 3.84Å; I838-D884 PolarHBondContact N-O 2.66Å; I838-D884 PolarHBondContact O-N 2.96Å; I838-L886 HydrophobicContact CB-CD1 4.15Å; I838-L886 HydrophobicContact CG2-CD1 3.96Å; I838-L886 HydrophobicContact CG2-CD2 4.04Å; I838-L886 HydrophobicContact CG2-CG 3.88Å; I838-V932 HydrophobicContact CD1-CG2 3.72Å; I838-V932 HydrophobicContact CG1-CG2 4.2Å
839	P	92.3	Very high	88	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.22	C	C	.	.			trans	-76.8	134.3	176.5	31.4	-35.6	0	0	0	111.2	W806 F841 I842 L852 W882 F883	W806-P839 HydrophobicContact CH2-CG 3.58Å; W806-P839 HydrophobicContact CZ2-CG 3.51Å; W806-P839 HydrophobicContact CZ3-CG 4.34Å; P839-F841 PolarHBondContact O-N 3.06Å; P839-I842 HydrophobicContact CG-CD1 4.45Å; P839-L852 HydrophobicContact CB-CD2 3.71Å; P839-L852 HydrophobicContact CG-CD2 3.75Å; P839-W882 HydrophobicContact CB-CH2 3.9Å; P839-W882 HydrophobicContact CB-CZ2 4.37Å; P839-W882 HydrophobicContact CB-CZ3 4.25Å; P839-F883 HydrophobicContact CB-CD1 3.93Å; P839-F883 HydrophobicContact CB-CE1 3.78Å; P839-F883 HydrophobicContact CB-CE2 4.44Å; P839-F883 HydrophobicContact CB-CG 4.36Å; P839-F883 HydrophobicContact CB-CZ 4.05Å; P839-F883 HydrophobicContact CG-CZ 4.45Å
840	A	90.1	Very high	88.4	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.033	18%	0.183	C	C	.	.	S	Bend	trans	-66.1	-26.5	173.6	0	0	0	0	0	113	W916 V933	A840-W916 HydrophobicContact CB-CE3 4.11Å; A840-W916 HydrophobicContact CB-CZ3 3.61Å; A840-V933 PolarHBondContact O-N 3.13Å
841	F	93	Very high	88.6	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.9	179.7	-63.7	-73.5	0	0	0	110.7	L713 P839 P853 I856 I860 W882 W916 V933 F935	L713-F841 HydrophobicContact CD1-CE1 4.41Å; L713-F841 HydrophobicContact CD1-CZ 4.04Å; L713-F841 HydrophobicContact CD2-CE1 4.26Å; P839-F841 PolarHBondContact O-N 3.06Å; F841-P853 HydrophobicContact CB-CG 3.69Å; F841-P853 WeakPolarHBondContact O-CD 3.48Å; F841-I856 HydrophobicContact CD2-CG2 4.01Å; F841-I856 HydrophobicContact CE2-CG2 4.27Å; F841-I860 HydrophobicContact CD2-CD1 4.18Å; F841-I860 HydrophobicContact CE2-CD1 4.06Å; F841-W882 HydrophobicContact CB-CH2 3.96Å; F841-W882 HydrophobicContact CB-CZ3 3.78Å; F841-W882 HydrophobicContact CD2-CE3 4.45Å; F841-W882 AromaticContact CD2-CZ3 3.83Å; F841-W882 HydrophobicContact CD2-CZ3 3.83Å; F841-W882 HydrophobicContact CG-CZ3 4.31Å; F841-W882 VanDerWaalsContact O-CH2 3.28Å; F841-W882 WeakPolarHBondContact O-CH2 3.49Å; F841-W916 HydrophobicContact CD2-CZ3 4.19Å; F841-W916 AromaticContact CE2-CE3 3.97Å; F841-W916 HydrophobicContact CE2-CE3 3.97Å; F841-W916 AromaticContact CE2-CZ3 3.64Å; F841-W916 HydrophobicContact CE2-CZ3 3.64Å; F841-W916 HydrophobicContact CZ-CE3 4.47Å; F841-V933 CarbonylContact C-O 3.59Å; F841-V933 WeakPolarHBondContact CA-O 3.45Å; F841-V933 HydrophobicContact CD1-CB 3.67Å; F841-V933 HydrophobicContact CD1-CG1 3.93Å; F841-V933 HydrophobicContact CD1-CG2 4.24Å; F841-V933 HydrophobicContact CE1-CB 4Å; F841-V933 HydrophobicContact CE1-CG1 4.12Å; F841-V933 HydrophobicContact CE1-CG2 4.11Å; F841-F935 HydrophobicContact CB-CE2 4.04Å; F841-F935 AromaticContact CD1-CE2 3.74Å; F841-F935 HydrophobicContact CD1-CE2 3.74Å; F841-F935 HydrophobicContact CD1-CZ 4.04Å; F841-F935 HydrophobicContact CG-CE2 4.23Å
842	I	93.9	Very high	88.6	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.7	179.2	-160.1	160.4	0	0	0	111	L786 F788 W806 P839 L850 T851 V932 V933 G934 F935	L786-I842 HydrophobicContact CD2-CD1 3.59Å; F788-I842 HydrophobicContact CE2-CG2 3.94Å; F788-I842 HydrophobicContact CZ-CG2 3.83Å; W806-I842 HydrophobicContact CH2-CD1 3.75Å; W806-I842 HydrophobicContact CZ2-CD1 4.19Å; P839-I842 HydrophobicContact CG-CD1 4.45Å; I842-L850 HydrophobicContact CD1-CB 3.73Å; I842-L850 HydrophobicContact CD1-CD1 3.7Å; I842-L850 HydrophobicContact CD1-CD2 4.45Å; I842-L850 HydrophobicContact CD1-CG 4.16Å; I842-L850 HydrophobicContact CG1-CB 4.07Å; I842-T851 WeakPolarHBondContact CG1-O 3.47Å; I842-V932 HydrophobicContact CB-CG1 4.35Å; I842-V932 HydrophobicContact CG2-CG1 3.76Å; I842-V933 PolarHBondContact N-O 3.42Å; I842-G934 CarbonylContact O-C 3.58Å; I842-G934 VanDerWaalsContact O-CA 3.31Å; I842-G934 WeakPolarHBondContact O-CA 3.38Å; I842-F935 WeakPolarHBondContact O-CD2 3.3Å; I842-F935 PolarHBondContact O-N 3.22Å
843	Q	92.6	Very high	88.6	Confident	36 Å²	36	31 Å²	31	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.4	173.9	-178.4	-171.5	11.2	0	0	109.5	Y738 Y742 P845 T851 F935 D937	Y738-Q843 WeakPolarHBondContact OH-CB 3.49Å; Y738-Q843 VanDerWaalsContact OH-CD 3.3Å; Y738-Q843 WeakPolarHBondContact OH-CG 3.31Å; Y738-Q843 PolarHBondContact OH-OE1 3.28Å; Y742-Q843 PolarHBondContact OH-NE2 3Å; Q843-P845 WeakPolarHBondContact O-CD 3.39Å; Q843-T851 WeakPolarHBondContact CB-OG1 3.5Å; Q843-T851 WeakPolarHBondContact CG-OG1 3.43Å; Q843-T851 PolarHBondContact N-O 3.1Å; Q843-T851 PolarHBondContact O-N 3.47Å; Q843-T851 PolarHBondContact OE1-OG1 3.42Å; Q843-F935 WeakPolarHBondContact CA-O 3.27Å; Q843-D937 PolarHBondContact NE2-OD1 2.82Å
844	V	90.4	Very high	88.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	96.1	178.5	-168	0	0	0	0	107.9	F788 R790 H802 L850 F935 D937	F788-V844 HydrophobicContact CB-CG1 4.18Å; F788-V844 HydrophobicContact CD1-CG2 3.8Å; F788-V844 HydrophobicContact CD2-CG2 4.15Å; F788-V844 HydrophobicContact CE1-CG2 3.84Å; F788-V844 HydrophobicContact CE2-CG2 4.16Å; F788-V844 HydrophobicContact CG-CG1 4.33Å; F788-V844 HydrophobicContact CG-CG2 3.96Å; F788-V844 HydrophobicContact CZ-CG2 4.02Å; R790-V844 PolarHBondContact NH1-O 2.92Å; R790-V844 VanDerWaalsContact NH1-O 3.11Å; R790-V844 PolarHBondContact NH2-O 3.23Å; H802-V844 HydrophobicContact CB-CG1 4.27Å; V844-L850 HydrophobicContact CB-CD2 4.24Å; V844-L850 HydrophobicContact CG1-CD2 4.05Å; V844-L850 HydrophobicContact CG2-CD2 3.9Å; V844-F935 PolarHBondContact N-O 3.35Å; V844-D937 PolarHBondContact O-N 3.04Å
845	P	86	Confident	88.2	Confident	14 Å²	14	32 Å²	32	9%	0.091	19%	0.186	C	C	.	.			trans	-68.4	167.5	-175.7	30	-35.9	0	0	0	111.8	R790 H802 Q843 Q847 E849 D937	R790-P845 PolarHBondContact NH1-O 2.86Å; H802-P845 PolarHBondContact CE1-O 3.42Å; Q843-P845 WeakPolarHBondContact O-CD 3.39Å; P845-Q847 VanDerWaalsContact C-N 3.27Å; P845-Q847 PolarHBondContact O-N 2.95Å; P845-E849 WeakPolarHBondContact CG-O 3.46Å; P845-D937 WeakPolarHBondContact CA-OD2 3.45Å
846	N	76.9	Confident	88.1	Confident	31 Å²	31	28.9 Å²	28.9	17%	0.166	17%	0.165	C	C	.	.	S	Bend	trans	-64.3	-31.7	174.9	64.4	-2.5	0	0	0	112.9	L800 D937 F940	L800-N846 WeakPolarHBondContact CD2-O 3.32Å; N846-D937 HydrophobicContact CB-CB 4.43Å; N846-F940 WeakPolarHBondContact ND2-CE2 3.44Å; N846-F940 VanDerWaalsContact ND2-CZ 3.32Å; N846-F940 WeakPolarHBondContact ND2-CZ 3.48Å
847	Q	74.4	Confident	88.1	Confident	68 Å²	68	26.7 Å²	26.7	32%	0.318	16%	0.156	S	C	.	.	S	Bend	trans	-148	146.1	177.4	-65.1	-172.8	-5.3	0	0	109.5	L800 P845	L800-Q847 HydrophobicContact CD2-CG 4.35Å; P845-Q847 VanDerWaalsContact C-N 3.27Å; P845-Q847 PolarHBondContact O-N 2.95Å
848	G	77.6	Confident	87.9	Confident	49 Å²	49	30.2 Å²	30.2	51%	0.505	17%	0.174	S	C	.	.	S	Bend	trans	100.6	-167.1	176.6	0	0	0	0	0	114.8	H802	H802-G848 PolarHBondContact ND1-O 2.89Å
849	E	87.1	Confident	87.6	Confident	139 Å²	139	30.2 Å²	30.2	65%	0.65	17%	0.174	S	C	*	.	S	Bend	trans	-79.2	163.4	-178.8	-65.2	-177.7	177.5	0	0	112.8	P845 T851	P845-E849 WeakPolarHBondContact CG-O 3.46Å; E849-T851 PolarHBondContact O-N 3.29Å
850	L	90.9	Very high	87.2	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.176	C	C	.	.			trans	-64.2	134.4	178	-59.4	167	0	0	0	111.8	L786 F788 H802 K804 I842 V844	L786-L850 HydrophobicContact CB-CD1 4.24Å; L786-L850 HydrophobicContact CD2-CD1 4.49Å; L786-L850 HydrophobicContact CG-CD1 4.13Å; L786-L850 WeakPolarHBondContact O-CD1 3.43Å; F788-L850 HydrophobicContact CB-CD2 4.43Å; F788-L850 HydrophobicContact CD2-CD1 3.71Å; F788-L850 HydrophobicContact CD2-CD2 3.53Å; F788-L850 HydrophobicContact CD2-CG 4.26Å; F788-L850 HydrophobicContact CE2-CD1 4.06Å; F788-L850 HydrophobicContact CE2-CD2 4.06Å; F788-L850 HydrophobicContact CG-CD2 4.2Å; H802-L850 HydrophobicContact CB-CD2 3.7Å; H802-L850 HydrophobicContact CB-CG 4.12Å; H802-L850 WeakPolarHBondContact O-CD1 3.37Å; H802-L850 WeakPolarHBondContact O-CG 3.41Å; K804-L850 HydrophobicContact CB-CB 3.91Å; K804-L850 HydrophobicContact CB-CD1 4.18Å; K804-L850 HydrophobicContact CB-CG 4.43Å; K804-L850 HydrophobicContact CD-CB 4.36Å; K804-L850 WeakPolarHBondContact CD-O 3.4Å; K804-L850 PolarHBondContact NZ-O 3.5Å; K804-L850 VanDerWaalsContact NZ-O 3.15Å; I842-L850 HydrophobicContact CD1-CB 3.73Å; I842-L850 HydrophobicContact CD1-CD1 3.7Å; I842-L850 HydrophobicContact CD1-CD2 4.45Å; I842-L850 HydrophobicContact CD1-CG 4.16Å; I842-L850 HydrophobicContact CG1-CB 4.07Å; V844-L850 HydrophobicContact CB-CD2 4.24Å; V844-L850 HydrophobicContact CG1-CD2 4.05Å; V844-L850 HydrophobicContact CG2-CD2 3.9Å
851	T	91.2	Very high	86.9	Confident	52 Å²	52	31 Å²	31	32%	0.319	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-107.8	157.5	179.5	51.8	0	0	0	0	111.1	I842 Q843 E849	I842-T851 WeakPolarHBondContact CG1-O 3.47Å; Q843-T851 WeakPolarHBondContact CB-OG1 3.5Å; Q843-T851 WeakPolarHBondContact CG-OG1 3.43Å; Q843-T851 PolarHBondContact N-O 3.1Å; Q843-T851 PolarHBondContact O-N 3.47Å; Q843-T851 PolarHBondContact OE1-OG1 3.42Å; E849-T851 PolarHBondContact O-N 3.29Å
852	L	90.7	Very high	86.4	Confident	41 Å²	41	34.2 Å²	34.2	22%	0.215	20%	0.195	C	C	.	.			trans	-98.5	134.7	176.8	-65.2	166	0	0	0	108.4	W806 P839 T854 W882 F883	W806-L852 HydrophobicContact CZ2-CD2 4.19Å; P839-L852 HydrophobicContact CB-CD2 3.71Å; P839-L852 HydrophobicContact CG-CD2 3.75Å; L852-T854 PolarHBondContact O-N 2.97Å; L852-W882 HydrophobicContact CB-CZ2 4.49Å; L852-W882 HydrophobicContact CD2-CZ2 4.23Å; L852-F883 HydrophobicContact CD1-CE1 4.19Å; L852-F883 HydrophobicContact CD1-CZ 3.73Å; L852-F883 HydrophobicContact CD2-CE1 4.07Å; L852-F883 HydrophobicContact CD2-CZ 3.84Å; L852-F883 HydrophobicContact CG-CZ 4.46Å
853	P	90.7	Very high	85.8	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.198	C	C	.	.			trans	-73	81.9	174.4	29.4	-32.9	0	0	0	109.8	Y738 F841 S855 I856 G857 W882 F935	Y738-P853 HydrophobicContact CD1-CB 4.47Å; Y738-P853 HydrophobicContact CE1-CB 3.73Å; Y738-P853 HydrophobicContact CE2-CB 4.38Å; F841-P853 HydrophobicContact CB-CG 3.69Å; F841-P853 WeakPolarHBondContact O-CD 3.48Å; P853-S855 PolarHBondContact O-N 3.36Å; P853-I856 HydrophobicContact CB-CB 4.3Å; P853-I856 HydrophobicContact CB-CD1 4.14Å; P853-I856 HydrophobicContact CB-CG1 4.39Å; P853-I856 PolarHBondContact O-N 2.89Å; P853-I856 VanDerWaalsContact O-N 3.13Å; P853-G857 PolarHBondContact O-N 2.85Å; P853-W882 HydrophobicContact CG-CH2 4.26Å; P853-F935 HydrophobicContact CG-CD2 4.41Å; P853-F935 HydrophobicContact CG-CE2 4.34Å
854	T	86.8	Confident	84.8	Confident	93 Å²	93	33.8 Å²	33.8	57%	0.571	20%	0.197	S	C	*	.	H	α-helix	trans	-60.6	-30.9	-173.8	55.5	0	0	0	0	113	L852 G857 N858	L852-T854 PolarHBondContact O-N 2.97Å; T854-G857 PolarHBondContact O-N 2.83Å; T854-N858 VanDerWaalsContact O-CB 3.24Å; T854-N858 WeakPolarHBondContact O-CB 3.31Å; T854-N858 PolarHBondContact O-N 2.8Å; T854-N858 PolarHBondContact O-ND2 2.84Å; T854-N858 VanDerWaalsContact O-ND2 3.14Å
855	S	88	Confident	83.8	Confident	28 Å²	28	41 Å²	41	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-54	174.3	-52.8	0	0	0	0	110.5	S735 P853 N858 T859	S735-S855 PolarHBondContact OG-O 3.46Å; P853-S855 PolarHBondContact O-N 3.36Å; S855-N858 PolarHBondContact O-N 2.78Å; S855-T859 PolarHBondContact O-N 2.98Å; S855-T859 PolarHBondContact O-OG1 3.29Å
856	I	88.1	Confident	82.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-51.3	178.1	-62.8	176.4	0	0	0	109.5	L717 S735 Y738 F841 P853 N858 T859 I860 F935	L717-I856 HydrophobicContact CD1-CG1 4.41Å; L717-I856 HydrophobicContact CD2-CG2 4.47Å; S735-I856 PolarHBondContact OG-N 3.49Å; Y738-I856 HydrophobicContact CD1-CD1 3.74Å; Y738-I856 HydrophobicContact CD1-CG1 4.13Å; Y738-I856 HydrophobicContact CE1-CD1 3.97Å; F841-I856 HydrophobicContact CD2-CG2 4.01Å; F841-I856 HydrophobicContact CE2-CG2 4.27Å; P853-I856 HydrophobicContact CB-CB 4.3Å; P853-I856 HydrophobicContact CB-CD1 4.14Å; P853-I856 HydrophobicContact CB-CG1 4.39Å; P853-I856 PolarHBondContact O-N 2.89Å; P853-I856 VanDerWaalsContact O-N 3.13Å; I856-N858 VanDerWaalsContact C-N 3.32Å; I856-N858 PolarHBondContact O-N 3.44Å; I856-T859 WeakPolarHBondContact O-CB 3.37Å; I856-T859 PolarHBondContact O-N 3.44Å; I856-T859 VanDerWaalsContact O-N 3.11Å; I856-I860 HydrophobicContact CG2-CD1 3.71Å; I856-I860 HydrophobicContact CG2-CG1 4.3Å; I856-I860 VanDerWaalsContact O-CG1 3.28Å; I856-I860 WeakPolarHBondContact O-CG1 3.38Å; I856-I860 PolarHBondContact O-N 2.76Å; I856-F935 HydrophobicContact CD1-CE2 3.8Å; I856-F935 HydrophobicContact CD1-CZ 3.65Å
857	G	87	Confident	82.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-54.9	-43.9	179.8	0	0	0	0	0	113.4	P853 T854 T859 I860 I861	P853-G857 PolarHBondContact O-N 2.85Å; T854-G857 PolarHBondContact O-N 2.83Å; G857-T859 PolarHBondContact O-N 2.94Å; G857-I860 WeakPolarHBondContact O-CB 3.42Å; G857-I860 PolarHBondContact O-N 2.88Å; G857-I860 VanDerWaalsContact O-N 3.16Å; G857-I861 WeakPolarHBondContact O-CD1 3.35Å; G857-I861 VanDerWaalsContact O-CG1 3.25Å; G857-I861 WeakPolarHBondContact O-CG1 3.4Å; G857-I861 PolarHBondContact O-N 2.85Å
858	N	85.4	Confident	82.8	Confident	73 Å²	73	47.7 Å²	47.7	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-35.6	179.2	-74.6	-26.3	0	0	0	113.1	T854 S855 I856 N862	T854-N858 VanDerWaalsContact O-CB 3.24Å; T854-N858 WeakPolarHBondContact O-CB 3.31Å; T854-N858 PolarHBondContact O-N 2.8Å; T854-N858 PolarHBondContact O-ND2 2.84Å; T854-N858 VanDerWaalsContact O-ND2 3.14Å; S855-N858 PolarHBondContact O-N 2.78Å; I856-N858 VanDerWaalsContact C-N 3.32Å; I856-N858 PolarHBondContact O-N 3.44Å; N858-N862 WeakPolarHBondContact O-CB 3.42Å; N858-N862 PolarHBondContact O-N 2.76Å; N858-N862 PolarHBondContact O-ND2 2.89Å
859	T	85.9	Confident	82.6	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-41.4	172.1	-63.7	0	0	0	0	110.8	L717 S720 R731 S735 S855 I856 G857 D863 G864	L717-T859 HydrophobicContact CD2-CG2 4.27Å; S720-T859 WeakPolarHBondContact OG-CG2 3.42Å; R731-T859 PolarHBondContact O-OG1 3.32Å; S735-T859 PolarHBondContact OG-OG1 3.02Å; S855-T859 PolarHBondContact O-N 2.98Å; S855-T859 PolarHBondContact O-OG1 3.29Å; I856-T859 WeakPolarHBondContact O-CB 3.37Å; I856-T859 PolarHBondContact O-N 3.44Å; I856-T859 VanDerWaalsContact O-N 3.11Å; G857-T859 PolarHBondContact O-N 2.94Å; T859-D863 HydrophobicContact CG2-CB 4.35Å; T859-D863 CarbonylContact O-C 3.45Å; T859-D863 WeakPolarHBondContact O-CA 3.44Å; T859-D863 WeakPolarHBondContact O-CB 3.28Å; T859-D863 PolarHBondContact O-N 3.41Å; T859-G864 PolarHBondContact O-N 2.97Å
860	I	85	Confident	82	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-47.7	178.7	-60.6	173.8	0	0	0	111.3	F841 I856 G857 G864 I868 W882 L915 W916	F841-I860 HydrophobicContact CD2-CD1 4.18Å; F841-I860 HydrophobicContact CE2-CD1 4.06Å; I856-I860 HydrophobicContact CG2-CD1 3.71Å; I856-I860 HydrophobicContact CG2-CG1 4.3Å; I856-I860 VanDerWaalsContact O-CG1 3.28Å; I856-I860 WeakPolarHBondContact O-CG1 3.38Å; I856-I860 PolarHBondContact O-N 2.76Å; G857-I860 WeakPolarHBondContact O-CB 3.42Å; G857-I860 PolarHBondContact O-N 2.88Å; G857-I860 VanDerWaalsContact O-N 3.16Å; I860-G864 WeakPolarHBondContact O-CA 3.46Å; I860-G864 PolarHBondContact O-N 3.33Å; I860-I868 HydrophobicContact CG2-CD1 4.04Å; I860-W882 HydrophobicContact CB-CB 4.15Å; I860-W882 HydrophobicContact CD1-CE3 4.09Å; I860-W882 HydrophobicContact CG2-CB 3.73Å; I860-L915 HydrophobicContact CB-CD2 4.33Å; I860-L915 HydrophobicContact CD1-CD1 4.37Å; I860-L915 HydrophobicContact CD1-CD2 3.77Å; I860-L915 HydrophobicContact CD1-CG 4.4Å; I860-L915 HydrophobicContact CG1-CD1 4.17Å; I860-L915 HydrophobicContact CG1-CD2 3.53Å; I860-L915 HydrophobicContact CG1-CG 4.38Å; I860-L915 HydrophobicContact CG2-CD2 4Å; I860-W916 HydrophobicContact CD1-CH2 3.97Å; I860-W916 HydrophobicContact CD1-CZ3 4.21Å; I860-W916 HydrophobicContact CG2-CH2 4.11Å; I860-W916 HydrophobicContact CG2-CZ2 4.18Å
861	I	83.7	Confident	81	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.072	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-49.6	-178.1	-64.5	160.8	0	0	0	111.2	G857 T870 E878 A881 W882	G857-I861 WeakPolarHBondContact O-CD1 3.35Å; G857-I861 VanDerWaalsContact O-CG1 3.25Å; G857-I861 WeakPolarHBondContact O-CG1 3.4Å; G857-I861 PolarHBondContact O-N 2.85Å; I861-T870 HydrophobicContact CG2-CG2 3.71Å; I861-E878 VanDerWaalsContact CD1-O 3.26Å; I861-E878 WeakPolarHBondContact CD1-O 3.42Å; I861-A881 HydrophobicContact CG1-CB 4.33Å; I861-W882 HydrophobicContact CG1-CB 4.17Å; I861-W882 HydrophobicContact CG1-CG 4.41Å
862	N	81.8	Confident	79.9	Confident	68 Å²	68	52.9 Å²	52.9	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-94.8	-34.8	-167	-63	-66.2	0	0	0	114.1	N858 R867	N858-N862 WeakPolarHBondContact O-CB 3.42Å; N858-N862 PolarHBondContact O-N 2.76Å; N858-N862 PolarHBondContact O-ND2 2.89Å; N862-R867 PolarHBondContact O-NE 2.95Å
863	D	80.5	Confident	79.2	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-114.4	0.9	-172.2	-55.5	-54.9	0	0	0	112.8	S728 R731 T859	S728-D863 VanDerWaalsContact CB-OD1 3.23Å; S728-D863 WeakPolarHBondContact CB-OD1 3.25Å; S728-D863 PolarHBondContact OG-OD1 2.83Å; R731-D863 IonicContact CZ-OD1 2.75Å; R731-D863 IonicContact CZ-OD2 3.91Å; R731-D863 IonicContact NE-OD1 3.97Å; R731-D863 IonicContact NE-OD2 2.76Å; R731-D863 PolarHBondContact NE-OD2 3.38Å; R731-D863 IonicContact NH2-OD1 2.69Å; R731-D863 PolarHBondContact NH2-OD1 3.35Å; R731-D863 IonicContact NH2-OD2 2.66Å; R731-D863 PolarHBondContact NH2-OD2 3.35Å; T859-D863 HydrophobicContact CG2-CB 4.35Å; T859-D863 CarbonylContact O-C 3.45Å; T859-D863 WeakPolarHBondContact O-CA 3.44Å; T859-D863 WeakPolarHBondContact O-CB 3.28Å; T859-D863 PolarHBondContact O-N 3.41Å
864	G	72.7	Confident	78.4	Confident	14 Å²	14	60.4 Å²	60.4	14%	0.144	34%	0.343	C	S	.	.			trans	-60.6	148.6	175.3	0	0	0	0	0	112.6	T859 I860 P866 R867	T859-G864 PolarHBondContact O-N 2.97Å; I860-G864 WeakPolarHBondContact O-CA 3.46Å; I860-G864 PolarHBondContact O-N 3.33Å; G864-P866 CarbonylContact C-O 3.56Å; G864-P866 CarbonylContact O-C 3.31Å; G864-P866 VanDerWaalsContact O-C 3.31Å; G864-R867 WeakPolarHBondContact O-CA 3.37Å; G864-R867 WeakPolarHBondContact O-CG 3.19Å; G864-R867 PolarHBondContact O-N 2.8Å; G864-R867 VanDerWaalsContact O-N 3.17Å
865	N	69.2	Low	77.6	Confident	151 Å²	151	64.4 Å²	64.4	81%	0.807	35%	0.353	S	S	*	.	S	Bend	trans	-126	108.2	172.1	-171.1	12.2	0	0	0	108.9
866	P	67.9	Low	76.7	Confident	60 Å²	60	65.8 Å²	65.8	39%	0.39	36%	0.362	S	S	.	.	S	Bend	cis	-70.9	149.9	4	30.4	-35.4	0	0	0	113.1	G864 D910	G864-P866 CarbonylContact C-O 3.56Å; G864-P866 CarbonylContact O-C 3.31Å; G864-P866 VanDerWaalsContact O-C 3.31Å; P866-D910 HydrophobicContact CG-CB 4.35Å
867	R	71.1	Confident	76.1	Confident	165 Å²	165	68.2 Å²	68.2	62%	0.623	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-69	134.8	175.4	-75.7	-175.1	171.2	170.7	-0.5	110.2	N862 G864 N869	N862-R867 PolarHBondContact O-NE 2.95Å; G864-R867 WeakPolarHBondContact O-CA 3.37Å; G864-R867 WeakPolarHBondContact O-CG 3.19Å; G864-R867 PolarHBondContact O-N 2.8Å; G864-R867 VanDerWaalsContact O-N 3.17Å; R867-N869 PolarHBondContact O-N 2.84Å
868	I	76.9	Confident	75.7	Confident	29 Å²	29	72 Å²	72	15%	0.149	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-74.8	123.9	175.9	-56.7	176.9	0	0	0	107.8	I860 T870 A881 W882 P908	I860-I868 HydrophobicContact CG2-CD1 4.04Å; I868-T870 PolarHBondContact O-N 3.23Å; I868-T870 VanDerWaalsContact O-N 3.09Å; I868-A881 HydrophobicContact CG2-CB 4.04Å; I868-W882 HydrophobicContact CD1-CB 4.26Å; I868-P908 HydrophobicContact CD1-CB 3.93Å; I868-P908 HydrophobicContact CD1-CG 3.94Å; I868-P908 HydrophobicContact CG1-CB 4.41Å
869	N	74.3	Confident	75.4	Confident	114 Å²	114	71.1 Å²	71.1	61%	0.61	40%	0.396	S	S	*	.			trans	-75.3	101.7	178.6	-171.9	14.1	0	0	0	109.8	R867 T871	R867-N869 PolarHBondContact O-N 2.84Å; N869-T871 PolarHBondContact ND2-OG1 3.41Å; N869-T871 WeakPolarHBondContact OD1-CB 3.31Å; N869-T871 WeakPolarHBondContact OD1-CG2 3.46Å; N869-T871 PolarHBondContact OD1-N 3.23Å; N869-T871 PolarHBondContact OD1-OG1 2.65Å
870	T	74.7	Confident	75.3	Confident	34 Å²	34	74 Å²	74	21%	0.209	41%	0.406	C	S	.	.			trans	-91.6	2.3	176.3	54.8	0	0	0	0	113.1	I861 I868 G872 M873 A881	I861-T870 HydrophobicContact CG2-CG2 3.71Å; I868-T870 PolarHBondContact O-N 3.23Å; I868-T870 VanDerWaalsContact O-N 3.09Å; T870-G872 PolarHBondContact O-N 3.02Å; T870-G872 VanDerWaalsContact O-N 3.11Å; T870-M873 PolarHBondContact O-N 3.33Å; T870-M873 VanDerWaalsContact O-N 3.14Å; T870-A881 HydrophobicContact CG2-CB 4.03Å
871	T	69.4	Low	75.2	Confident	116 Å²	116	73.7 Å²	73.7	71%	0.712	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	116.9	-177.6	58.9	0	0	0	0	111	N869	N869-T871 PolarHBondContact ND2-OG1 3.41Å; N869-T871 WeakPolarHBondContact OD1-CB 3.31Å; N869-T871 WeakPolarHBondContact OD1-CG2 3.46Å; N869-T871 PolarHBondContact OD1-N 3.23Å; N869-T871 PolarHBondContact OD1-OG1 2.65Å
872	G	68.2	Low	75.4	Confident	87 Å²	87	73.3 Å²	73.3	90%	0.897	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	1.6	-179.9	0	0	0	0	0	115.8	T870	T870-G872 PolarHBondContact O-N 3.02Å; T870-G872 VanDerWaalsContact O-N 3.11Å
873	M	75.5	Confident	75.8	Confident	59 Å²	59	70.1 Å²	70.1	29%	0.291	39%	0.386	S	S	.	.			trans	-77.5	147.1	171.5	-70.5	-176.8	-174.2	0	0	111.3	Q836 T870 D877 E878 A881	Q836-M873 VanDerWaalsContact NE2-CE 3.27Å; T870-M873 PolarHBondContact O-N 3.33Å; T870-M873 VanDerWaalsContact O-N 3.14Å; M873-D877 HydrophobicContact CB-CB 4.24Å; M873-E878 HydrophobicContact CB-CG 3.98Å; M873-A881 HydrophobicContact SD-CB 4.09Å
874	E	73.6	Confident	76.3	Confident	141 Å²	141	69.5 Å²	69.5	66%	0.659	38%	0.382	S	S	*	.			trans	-71.6	153	168.7	-161.9	172.4	176.7	0	0	109.7	S876 D877 E878	E874-S876 PolarHBondContact O-N 2.82Å; E874-D877 WeakPolarHBondContact O-CA 3.43Å; E874-D877 WeakPolarHBondContact O-CB 3.48Å; E874-D877 PolarHBondContact O-N 3.45Å; E874-E878 PolarHBondContact O-N 3.47Å
875	K	70.7	Confident	77.2	Confident	177 Å²	177	70.3 Å²	70.3	77%	0.77	39%	0.386	S	S	*	.	H	α-helix	trans	-55.6	-29.8	-176.7	-72.4	-176.7	178.8	177	0	113.9	D877	K875-D877 VanDerWaalsContact C-N 3.31Å
876	S	69.9	Low	78.4	Confident	57 Å²	57	63.1 Å²	63.1	40%	0.399	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-33.6	174.5	51.6	0	0	0	0	112.7	E874	E874-S876 PolarHBondContact O-N 2.82Å
877	D	75.2	Confident	79.6	Confident	51 Å²	51	61.2 Å²	61.2	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-87.8	-30.6	-173.8	-59.2	-12.8	0	0	0	110.4	M873 E874 K875 A879 R880 A881	M873-D877 HydrophobicContact CB-CB 4.24Å; E874-D877 WeakPolarHBondContact O-CA 3.43Å; E874-D877 WeakPolarHBondContact O-CB 3.48Å; E874-D877 PolarHBondContact O-N 3.45Å; K875-D877 VanDerWaalsContact C-N 3.31Å; D877-A879 PolarHBondContact O-N 2.88Å; D877-R880 CarbonylContact O-C 3.57Å; D877-R880 WeakPolarHBondContact O-CA 3.39Å; D877-R880 PolarHBondContact O-N 2.83Å; D877-A881 PolarHBondContact O-N 2.89Å
878	E	77.8	Confident	80.7	Confident	79 Å²	79	53.3 Å²	53.3	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-53.7	-42.6	169.6	-70.6	-176.3	159.2	0	0	111.6	I861 M873 E874 R880 A881	I861-E878 VanDerWaalsContact CD1-O 3.26Å; I861-E878 WeakPolarHBondContact CD1-O 3.42Å; M873-E878 HydrophobicContact CB-CG 3.98Å; E874-E878 PolarHBondContact O-N 3.47Å; E878-R880 PolarHBondContact O-N 2.84Å; E878-A881 VanDerWaalsContact O-CB 3.24Å; E878-A881 WeakPolarHBondContact O-CB 3.45Å; E878-A881 PolarHBondContact O-N 2.85Å; E878-A881 VanDerWaalsContact O-N 3.14Å
879	A	79.3	Confident	81.4	Confident	55 Å²	55	55 Å²	55	46%	0.455	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.7	178.1	0	0	0	0	0	113.5	D877 W882	D877-A879 PolarHBondContact O-N 2.88Å; A879-W882 PolarHBondContact O-NE1 3.31Å
880	R	83.5	Confident	82.1	Confident	62 Å²	62	51.3 Å²	51.3	23%	0.234	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	0.7	177.8	-58.6	177.9	-173.6	-175.9	0.2	112.4	L807 Q836 D877 E878 W882 F883	L807-R880 PolarHBondContact O-NH1 3.43Å; Q836-R880 HydrophobicContact CB-CB 4.48Å; D877-R880 CarbonylContact O-C 3.57Å; D877-R880 WeakPolarHBondContact O-CA 3.39Å; D877-R880 PolarHBondContact O-N 2.83Å; E878-R880 PolarHBondContact O-N 2.84Å; R880-W882 PolarHBondContact O-N 2.86Å; R880-W882 VanDerWaalsContact O-N 3.1Å; R880-F883 HydrophobicContact CB-CD1 4.4Å; R880-F883 HydrophobicContact CB-CD2 4.01Å; R880-F883 HydrophobicContact CB-CE2 4.18Å; R880-F883 HydrophobicContact CB-CG 4.13Å; R880-F883 HydrophobicContact CB-CZ 4.44Å; R880-F883 HydrophobicContact CG-CD2 4.19Å; R880-F883 HydrophobicContact CG-CE2 3.87Å; R880-F883 HydrophobicContact CG-CZ 4.09Å; R880-F883 WeakPolarHBondContact O-CB 3.42Å; R880-F883 WeakPolarHBondContact O-CG 2.83Å; R880-F883 PolarHBondContact O-N 2.86Å
881	A	83.3	Confident	82.6	Confident	1 Å²	1	54 Å²	54	1%	0.008	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.7	-172.9	0	0	0	0	0	113.9	I861 I868 T870 M873 D877 E878	I861-A881 HydrophobicContact CG1-CB 4.33Å; I868-A881 HydrophobicContact CG2-CB 4.04Å; T870-A881 HydrophobicContact CG2-CB 4.03Å; M873-A881 HydrophobicContact SD-CB 4.09Å; D877-A881 PolarHBondContact O-N 2.89Å; E878-A881 VanDerWaalsContact O-CB 3.24Å; E878-A881 WeakPolarHBondContact O-CB 3.45Å; E878-A881 PolarHBondContact O-N 2.85Å; E878-A881 VanDerWaalsContact O-N 3.14Å
882	W	87.8	Confident	83.1	Confident	6 Å²	6	53.7 Å²	53.7	2%	0.023	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.3	175.7	68.4	-75.8	0	0	0	113.9	P839 F841 L852 P853 I860 I861 I868 A879 R880	P839-W882 HydrophobicContact CB-CH2 3.9Å; P839-W882 HydrophobicContact CB-CZ2 4.37Å; P839-W882 HydrophobicContact CB-CZ3 4.25Å; F841-W882 HydrophobicContact CB-CH2 3.96Å; F841-W882 HydrophobicContact CB-CZ3 3.78Å; F841-W882 HydrophobicContact CD2-CE3 4.45Å; F841-W882 AromaticContact CD2-CZ3 3.83Å; F841-W882 HydrophobicContact CD2-CZ3 3.83Å; F841-W882 HydrophobicContact CG-CZ3 4.31Å; F841-W882 VanDerWaalsContact O-CH2 3.28Å; F841-W882 WeakPolarHBondContact O-CH2 3.49Å; L852-W882 HydrophobicContact CB-CZ2 4.49Å; L852-W882 HydrophobicContact CD2-CZ2 4.23Å; P853-W882 HydrophobicContact CG-CH2 4.26Å; I860-W882 HydrophobicContact CB-CB 4.15Å; I860-W882 HydrophobicContact CD1-CE3 4.09Å; I860-W882 HydrophobicContact CG2-CB 3.73Å; I861-W882 HydrophobicContact CG1-CB 4.17Å; I861-W882 HydrophobicContact CG1-CG 4.41Å; I868-W882 HydrophobicContact CD1-CB 4.26Å; A879-W882 PolarHBondContact O-NE1 3.31Å; R880-W882 PolarHBondContact O-N 2.86Å; R880-W882 VanDerWaalsContact O-N 3.1Å
883	F	91	Very high	83.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	27%	0.27	C	S	.	.	S	Bend	trans	-77.5	152.1	177	-71.6	18	0	0	0	110.6	W806 Q836 I838 P839 L852 R880	W806-F883 AromaticContact CD1-CE2 3.77Å; W806-F883 HydrophobicContact CG-CE2 4.29Å; W806-F883 AromaticContact NE1-CE2 3.67Å; W806-F883 AromaticContact NE1-CZ 3.9Å; Q836-F883 HydrophobicContact CB-CB 4.27Å; I838-F883 CarbonylContact O-C 3.55Å; I838-F883 WeakPolarHBondContact O-CB 3.49Å; P839-F883 HydrophobicContact CB-CD1 3.93Å; P839-F883 HydrophobicContact CB-CE1 3.78Å; P839-F883 HydrophobicContact CB-CE2 4.44Å; P839-F883 HydrophobicContact CB-CG 4.36Å; P839-F883 HydrophobicContact CB-CZ 4.05Å; P839-F883 HydrophobicContact CG-CZ 4.45Å; L852-F883 HydrophobicContact CD1-CE1 4.19Å; L852-F883 HydrophobicContact CD1-CZ 3.73Å; L852-F883 HydrophobicContact CD2-CE1 4.07Å; L852-F883 HydrophobicContact CD2-CZ 3.84Å; L852-F883 HydrophobicContact CG-CZ 4.46Å; R880-F883 HydrophobicContact CB-CD1 4.4Å; R880-F883 HydrophobicContact CB-CD2 4.01Å; R880-F883 HydrophobicContact CB-CE2 4.18Å; R880-F883 HydrophobicContact CB-CG 4.13Å; R880-F883 HydrophobicContact CB-CZ 4.44Å; R880-F883 HydrophobicContact CG-CD2 4.19Å; R880-F883 HydrophobicContact CG-CE2 3.87Å; R880-F883 HydrophobicContact CG-CZ 4.09Å; R880-F883 WeakPolarHBondContact O-CB 3.42Å; R880-F883 WeakPolarHBondContact O-CG 2.83Å; R880-F883 PolarHBondContact O-N 2.86Å
884	D	90.4	Very high	83.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	144.6	177.6	-61.8	-9.4	0	0	0	110.6	S837 I838 E906 H907	S837-D884 PolarHBondContact N-O 3.1Å; S837-D884 PolarHBondContact OG-O 2.97Å; I838-D884 HydrophobicContact CG2-CB 3.84Å; I838-D884 PolarHBondContact N-O 2.66Å; I838-D884 PolarHBondContact O-N 2.96Å; D884-E906 VanDerWaalsContact CA-O 3.31Å; D884-E906 WeakPolarHBondContact CA-O 3.33Å; D884-H907 WeakPolarHBondContact OD1-CA 3.42Å; D884-H907 IonicContact OD1-CE1 3.85Å; D884-H907 IonicContact OD1-CG 3.83Å; D884-H907 IonicContact OD1-ND1 3.79Å; D884-H907 PolarHBondContact OD1-ND1 3.06Å; D884-H907 IonicContact OD2-CE1 3.27Å; D884-H907 PolarHBondContact OD2-CE1 2.97Å; D884-H907 IonicContact OD2-ND1 2.68Å; D884-H907 PolarHBondContact OD2-ND1 3.04Å
885	S	92.2	Very high	83.4	Confident	31 Å²	31	54.7 Å²	54.7	22%	0.217	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.3	172.6	-60.6	0	0	0	0	109.1	I834 Q836 S905 E906	I834-S885 WeakPolarHBondContact O-CA 3.43Å; Q836-S885 PolarHBondContact N-OG 3.17Å; S885-S905 WeakPolarHBondContact O-CA 3.16Å; S885-E906 PolarHBondContact N-O 3.05Å; S885-E906 PolarHBondContact O-N 2.98Å
886	L	93.8	Very high	83.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.8	-179.9	-73.6	171.4	0	0	0	109.9	I679 V784 I834 S837 I838 T904 L930	I679-L886 HydrophobicContact CD1-CD1 3.55Å; I679-L886 HydrophobicContact CG1-CD1 4.18Å; V784-L886 HydrophobicContact CG1-CD1 4.47Å; V784-L886 HydrophobicContact CG2-CD1 4.44Å; I834-L886 HydrophobicContact CB-CB 4.38Å; I834-L886 PolarHBondContact N-O 2.86Å; I834-L886 PolarHBondContact O-N 2.83Å; S837-L886 WeakPolarHBondContact OG-CB 3.44Å; S837-L886 VanDerWaalsContact OG-CD1 3.24Å; S837-L886 WeakPolarHBondContact OG-CD1 3.24Å; S837-L886 WeakPolarHBondContact OG-CG 3.34Å; S837-L886 PolarHBondContact OG-N 2.81Å; I838-L886 HydrophobicContact CB-CD1 4.15Å; I838-L886 HydrophobicContact CG2-CD1 3.96Å; I838-L886 HydrophobicContact CG2-CD2 4.04Å; I838-L886 HydrophobicContact CG2-CG 3.88Å; L886-T904 CarbonylContact C-O 3.59Å; L886-T904 WeakPolarHBondContact CA-O 3.24Å; L886-L930 HydrophobicContact CD2-CD1 3.79Å; L886-L930 HydrophobicContact CD2-CD2 3.91Å
887	T	93.8	Very high	83.4	Confident	19 Å²	19	58 Å²	58	12%	0.117	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.9	171.9	-58.4	0	0	0	0	108.8	P831 I832 L833 A903 T904	P831-T887 HydrophobicContact CB-CG2 3.59Å; I832-T887 CarbonylContact O-C 3.45Å; I832-T887 WeakPolarHBondContact O-CA 3.11Å; L833-T887 WeakPolarHBondContact CD1-OG1 3.46Å; T887-A903 WeakPolarHBondContact O-CA 3.2Å; T887-T904 PolarHBondContact N-O 2.78Å; T887-T904 PolarHBondContact O-N 2.6Å; T887-T904 PolarHBondContact O-OG1 3.18Å
888	L	92.6	Very high	83.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.9	177.7	-57.2	171.6	0	0	0	110.2	I679 L687 P831 I832 I834 W901 I902 A903	I679-L888 HydrophobicContact CD1-CD2 4.08Å; I679-L888 HydrophobicContact CG2-CD1 4.02Å; L687-L888 HydrophobicContact CB-CD1 4.23Å; L687-L888 HydrophobicContact CD1-CD1 3.88Å; P831-L888 WeakPolarHBondContact CA-O 3.44Å; I832-L888 HydrophobicContact CB-CB 4.2Å; I832-L888 PolarHBondContact N-O 3.46Å; I832-L888 PolarHBondContact O-N 3.33Å; I834-L888 HydrophobicContact CD1-CD1 3.94Å; L888-W901 HydrophobicContact CB-CE3 3.81Å; L888-W901 HydrophobicContact CB-CZ3 4.23Å; L888-I902 CarbonylContact C-O 3.54Å; L888-I902 WeakPolarHBondContact CA-O 3.31Å; L888-A903 HydrophobicContact CD2-CB 3.64Å
889	N	91.8	Very high	84	Confident	65 Å²	65	56.3 Å²	56.3	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.7	173.6	-73.8	-43.2	0	0	0	110.1	P831 W901 I902	P831-N889 WeakPolarHBondContact CB-OD1 3.4Å; N889-W901 CarbonylContact O-C 3.53Å; N889-W901 WeakPolarHBondContact O-CA 3.23Å; N889-I902 PolarHBondContact N-O 3.04Å; N889-I902 PolarHBondContact O-N 2.99Å
890	L	89.4	Confident	84.5	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.9	175.3	-173.1	72.7	0	0	0	110.2	K899 W901	L890-K899 HydrophobicContact CD1-CB 3.93Å; L890-K899 HydrophobicContact CD1-CG 4.39Å; L890-K899 HydrophobicContact CD2-CD 4.38Å; L890-K899 HydrophobicContact CD2-CG 4.45Å; L890-W901 HydrophobicContact CB-CD2 4.32Å; L890-W901 HydrophobicContact CB-CE3 3.92Å; L890-W901 HydrophobicContact CB-CH2 3.91Å; L890-W901 HydrophobicContact CB-CZ2 4.3Å; L890-W901 HydrophobicContact CB-CZ3 3.72Å; L890-W901 HydrophobicContact CD1-CD2 3.72Å; L890-W901 VanDerWaalsContact CD1-CE2 3.46Å; L890-W901 HydrophobicContact CD1-CE3 4.21Å; L890-W901 HydrophobicContact CD1-CG 4.11Å; L890-W901 HydrophobicContact CD1-CH2 4.27Å; L890-W901 HydrophobicContact CD1-CZ2 3.77Å; L890-W901 HydrophobicContact CD1-CZ3 4.47Å; L890-W901 HydrophobicContact CG-CH2 4.49Å; L890-W901 HydrophobicContact CG-CZ2 4.41Å
891	E	85	Confident	84.9	Confident	91 Å²	91	52.7 Å²	52.7	43%	0.425	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.8	166.3	-81.9	-175.7	-174.3	0	0	110.1	M900 I902 R927	E891-M900 PolarHBondContact N-O 2.84Å; E891-M900 PolarHBondContact O-N 2.85Å; E891-I902 HydrophobicContact CB-CD1 3.96Å; E891-I902 HydrophobicContact CG-CD1 3.52Å; E891-I902 WeakPolarHBondContact OE1-CD1 3.4Å; E891-I902 WeakPolarHBondContact OE2-CD1 3.45Å; E891-R927 VanDerWaalsContact CD-NH2 3.33Å; E891-R927 IonicContact OE1-CZ 4Å; E891-R927 IonicContact OE1-NH2 2.72Å; E891-R927 PolarHBondContact OE1-NH2 3.46Å; E891-R927 IonicContact OE2-NH1 2.93Å; E891-R927 IonicContact OE2-NH2 3.08Å; E891-R927 PolarHBondContact OE2-NH2 3.5Å
892	Q	79.3	Confident	85.3	Confident	108 Å²	108	52.9 Å²	52.9	51%	0.505	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.7	175.2	-64.7	-176.1	16.7	0	0	109	G826 K899	G826-Q892 PolarHBondContact O-NE2 2.77Å; Q892-K899 HydrophobicContact CG-CG 4.42Å
893	G	75	Confident	85.6	Confident	37 Å²	37	52.6 Å²	52.6	38%	0.381	27%	0.271	S	S	.	.			trans	-71.9	-162.8	174.6	0	0	0	0	0	112.4	S895 E898	G893-S895 VanDerWaalsContact C-N 3.3Å; G893-S895 PolarHBondContact O-N 2.71Å; G893-E898 PolarHBondContact N-O 2.75Å
894	K	76.5	Confident	85.7	Confident	215 Å²	215	54.3 Å²	54.3	94%	0.935	28%	0.282	S	S	*	.	S	Bend	trans	-73.4	-29	-177.3	-68.2	178.7	-179.3	175.1	0	111.4	E898	K894-E898 PolarHBondContact N-OE2 2.99Å
895	S	73.5	Confident	85.7	Confident	56 Å²	56	55.7 Å²	55.7	39%	0.392	29%	0.291	S	S	.	.	S	Bend	trans	-99.8	147	176	-175	0	0	0	0	111.6	G893 N897 E898	G893-S895 VanDerWaalsContact C-N 3.3Å; G893-S895 PolarHBondContact O-N 2.71Å; S895-N897 PolarHBondContact O-N 3.18Å; S895-E898 PolarHBondContact N-OE2 2.67Å; S895-E898 VanDerWaalsContact N-OE2 3.11Å; S895-E898 PolarHBondContact O-N 2.57Å
896	Q	69.4	Low	85.6	Confident	162 Å²	162	58.9 Å²	58.9	76%	0.757	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.9	177	-73.1	-172	-8.2	0	0	113.7	K899	Q896-K899 WeakPolarHBondContact O-CE 3.38Å
897	N	70.3	Confident	85.4	Confident	141 Å²	141	60.1 Å²	60.1	75%	0.754	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-10	179.4	-67.6	-10.9	0	0	0	113.5	S895 K899	S895-N897 PolarHBondContact O-N 3.18Å; N897-K899 PolarHBondContact O-N 2.81Å
898	E	80.4	Confident	84.8	Confident	67 Å²	67	60.6 Å²	60.6	31%	0.313	31%	0.312	S	S	.	.			trans	-88	81.8	179.4	-72	166.4	-173.8	0	0	109.4	Y759 G893 K894 S895	Y759-E898 HydrophobicContact CD1-CB 4.2Å; Y759-E898 HydrophobicContact CE1-CB 3.99Å; Y759-E898 HydrophobicContact CE1-CG 4.45Å; G893-E898 PolarHBondContact N-O 2.75Å; K894-E898 PolarHBondContact N-OE2 2.99Å; S895-E898 PolarHBondContact N-OE2 2.67Å; S895-E898 VanDerWaalsContact N-OE2 3.11Å; S895-E898 PolarHBondContact O-N 2.57Å
899	K	85.4	Confident	84.1	Confident	28 Å²	28	63 Å²	63	12%	0.122	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.5	177.8	-77.6	174.4	-171	163.6	0	109.6	W760 R767 L890 Q892 Q896 N897	W760-K899 HydrophobicContact CB-CB 4.45Å; W760-K899 WeakPolarHBondContact CB-O 3.4Å; W760-K899 HydrophobicContact CE3-CB 4.46Å; W760-K899 HydrophobicContact CE3-CD 4.46Å; W760-K899 PolarHBondContact N-O 2.76Å; R767-K899 VanDerWaalsContact CZ-NZ 3.26Å; L890-K899 HydrophobicContact CD1-CB 3.93Å; L890-K899 HydrophobicContact CD1-CG 4.39Å; L890-K899 HydrophobicContact CD2-CD 4.38Å; L890-K899 HydrophobicContact CD2-CG 4.45Å; Q892-K899 HydrophobicContact CG-CG 4.42Å; Q896-K899 WeakPolarHBondContact O-CE 3.38Å; N897-K899 PolarHBondContact O-N 2.81Å
900	M	89.5	Confident	83.4	Confident	41 Å²	41	63.6 Å²	63.6	20%	0.202	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.5	179.3	-178.6	-174.1	-79.1	0	0	109.4	E755 Y759 E891	E755-M900 HydrophobicContact CB-SD 3.81Å; E755-M900 HydrophobicContact CG-SD 4.21Å; Y759-M900 HydrophobicContact CD1-CB 4.03Å; Y759-M900 HydrophobicContact CD1-CE 4.33Å; Y759-M900 HydrophobicContact CE1-CB 4.16Å; Y759-M900 HydrophobicContact CE1-CE 3.83Å; E891-M900 PolarHBondContact N-O 2.84Å; E891-M900 PolarHBondContact O-N 2.85Å
901	W	91.5	Very high	82.5	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.4	173.3	-66.3	91.7	0	0	0	110.4	L687 S756 W760 A823 L824 I832 L888 N889 L890	L687-W901 HydrophobicContact CB-CD2 4.46Å; L687-W901 HydrophobicContact CB-CG 4.23Å; L687-W901 HydrophobicContact CD2-CZ2 3.93Å; L687-W901 WeakPolarHBondContact O-CB 3.33Å; S756-W901 WeakPolarHBondContact CB-O 3.17Å; S756-W901 PolarHBondContact N-O 3.44Å; W760-W901 AromaticContact CD2-NE1 3.58Å; W760-W901 AromaticContact CE3-NE1 3.75Å; W760-W901 AromaticContact CG-NE1 3.68Å; W760-W901 HydrophobicContact CZ3-CZ2 4.44Å; A823-W901 HydrophobicContact CB-CH2 4.43Å; L824-W901 HydrophobicContact CD2-CH2 4.32Å; L824-W901 HydrophobicContact CD2-CZ2 4.03Å; I832-W901 HydrophobicContact CD1-CH2 3.5Å; I832-W901 HydrophobicContact CD1-CZ2 4.38Å; I832-W901 HydrophobicContact CD1-CZ3 3.69Å; I832-W901 HydrophobicContact CG1-CH2 4.33Å; I832-W901 HydrophobicContact CG1-CZ3 4.18Å; L888-W901 HydrophobicContact CB-CE3 3.81Å; L888-W901 HydrophobicContact CB-CZ3 4.23Å; N889-W901 CarbonylContact O-C 3.53Å; N889-W901 WeakPolarHBondContact O-CA 3.23Å; L890-W901 HydrophobicContact CB-CD2 4.32Å; L890-W901 HydrophobicContact CB-CE3 3.92Å; L890-W901 HydrophobicContact CB-CH2 3.91Å; L890-W901 HydrophobicContact CB-CZ2 4.3Å; L890-W901 HydrophobicContact CB-CZ3 3.72Å; L890-W901 HydrophobicContact CD1-CD2 3.72Å; L890-W901 VanDerWaalsContact CD1-CE2 3.46Å; L890-W901 HydrophobicContact CD1-CE3 4.21Å; L890-W901 HydrophobicContact CD1-CG 4.11Å; L890-W901 HydrophobicContact CD1-CH2 4.27Å; L890-W901 HydrophobicContact CD1-CZ2 3.77Å; L890-W901 HydrophobicContact CD1-CZ3 4.47Å; L890-W901 HydrophobicContact CG-CH2 4.49Å; L890-W901 HydrophobicContact CG-CZ2 4.41Å
902	I	93	Very high	81.8	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.8	174.6	-65.7	153.4	0	0	0	108	P754 E755 L888 N889 E891	P754-I902 HydrophobicContact CB-CG2 4.34Å; P754-I902 CarbonylContact O-C 3.59Å; P754-I902 VanDerWaalsContact O-CA 3.3Å; P754-I902 WeakPolarHBondContact O-CA 3.37Å; E755-I902 HydrophobicContact CG-CG1 4.32Å; L888-I902 CarbonylContact C-O 3.54Å; L888-I902 WeakPolarHBondContact CA-O 3.31Å; N889-I902 PolarHBondContact N-O 3.04Å; N889-I902 PolarHBondContact O-N 2.99Å; E891-I902 HydrophobicContact CB-CD1 3.96Å; E891-I902 HydrophobicContact CG-CD1 3.52Å; E891-I902 WeakPolarHBondContact OE1-CD1 3.4Å; E891-I902 WeakPolarHBondContact OE2-CD1 3.45Å
903	A	93.5	Very high	81.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.2	179.3	0	0	0	0	0	111.1	I679 Y688 P754 T887 L888 L930	I679-A903 HydrophobicContact CD1-CB 4.48Å; Y688-A903 HydrophobicContact CD1-CB 4.46Å; Y688-A903 HydrophobicContact CD2-CB 3.77Å; Y688-A903 HydrophobicContact CE1-CB 4.5Å; Y688-A903 HydrophobicContact CE2-CB 3.82Å; Y688-A903 HydrophobicContact CG-CB 4.1Å; P754-A903 PolarHBondContact O-N 3.23Å; T887-A903 WeakPolarHBondContact O-CA 3.2Å; L888-A903 HydrophobicContact CD2-CB 3.64Å; A903-L930 HydrophobicContact CB-CD2 4.47Å
904	T	93.1	Very high	81.8	Confident	38 Å²	38	71.3 Å²	71.3	23%	0.233	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.6	169.5	58	0	0	0	0	109.6	L886 T887	L886-T904 CarbonylContact C-O 3.59Å; L886-T904 WeakPolarHBondContact CA-O 3.24Å; T887-T904 PolarHBondContact N-O 2.78Å; T887-T904 PolarHBondContact O-N 2.6Å; T887-T904 PolarHBondContact O-OG1 3.18Å
905	S	91.6	Very high	82.1	Confident	29 Å²	29	62.2 Å²	62.2	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.9	174.4	49	0	0	0	0	112.3	S885 L930	S885-S905 WeakPolarHBondContact O-CA 3.16Å; S905-L930 WeakPolarHBondContact OG-CD1 3.47Å
906	E	89.8	Confident	82.7	Confident	97 Å²	97	60.4 Å²	60.4	45%	0.453	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.9	169.6	-63.3	-174.4	165.5	0	0	110.3	D884 S885	D884-E906 VanDerWaalsContact CA-O 3.31Å; D884-E906 WeakPolarHBondContact CA-O 3.33Å; S885-E906 PolarHBondContact N-O 3.05Å; S885-E906 PolarHBondContact O-N 2.98Å
907	H	87.9	Confident	83.4	Confident	27 Å²	27	53.4 Å²	53.4	13%	0.125	29%	0.285	C	S	.	.			trans	-66.7	147.7	172.9	-64.4	-49.9	0	0	0	111.1	D884 G909 W916	D884-H907 WeakPolarHBondContact OD1-CA 3.42Å; D884-H907 IonicContact OD1-CE1 3.85Å; D884-H907 IonicContact OD1-CG 3.83Å; D884-H907 IonicContact OD1-ND1 3.79Å; D884-H907 PolarHBondContact OD1-ND1 3.06Å; D884-H907 IonicContact OD2-CE1 3.27Å; D884-H907 PolarHBondContact OD2-CE1 2.97Å; D884-H907 IonicContact OD2-ND1 2.68Å; D884-H907 PolarHBondContact OD2-ND1 3.04Å; H907-G909 PolarHBondContact O-N 2.82Å; H907-W916 HydrophobicContact CB-CD2 4.06Å; H907-W916 HydrophobicContact CB-CG 4.2Å; H907-W916 HydrophobicContact CB-CZ2 4.19Å; H907-W916 AromaticContact CD2-CD2 3.96Å; H907-W916 AromaticContact CD2-CG 3.62Å; H907-W916 AromaticContact CG-CD2 3.73Å; H907-W916 AromaticContact CG-CE2 3.96Å; H907-W916 AromaticContact CG-CG 3.84Å; H907-W916 AromaticContact ND1-CD2 3.97Å; H907-W916 AromaticContact ND1-CE3 3.88Å
908	P	82.1	Confident	84.1	Confident	28 Å²	28	55.7 Å²	55.7	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-69.8	131.7	173.8	25.4	-28.7	0	0	0	111.1	I868 W916	I868-P908 HydrophobicContact CD1-CB 3.93Å; I868-P908 HydrophobicContact CD1-CG 3.94Å; I868-P908 HydrophobicContact CG1-CB 4.41Å; P908-W916 HydrophobicContact CG-CZ2 4.18Å
909	G	77.8	Confident	84.2	Confident	52 Å²	52	54.8 Å²	54.8	54%	0.536	29%	0.287	S	S	.	.	S	Bend	trans	90.1	-138	177.7	0	0	0	0	0	113.7	H907	H907-G909 PolarHBondContact O-N 2.82Å
910	D	76.9	Confident	84.2	Confident	77 Å²	77	55.6 Å²	55.6	41%	0.412	30%	0.299	S	S	.	.			trans	-81.7	116.4	178.7	-176.7	10.7	0	0	0	110.4	P866 N912 A913	P866-D910 HydrophobicContact CG-CB 4.35Å; D910-N912 PolarHBondContact O-N 2.85Å; D910-N912 VanDerWaalsContact O-N 3.16Å; D910-N912 WeakPolarHBondContact OD1-CB 3.48Å; D910-N912 PolarHBondContact OD1-N 3.05Å; D910-A913 WeakPolarHBondContact O-CB 3.4Å; D910-A913 PolarHBondContact O-N 3.38Å; D910-A913 VanDerWaalsContact O-N 3.12Å
911	Q	71.3	Confident	84	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	176.5	-64.8	-175.4	-1.9	0	0	112.5
912	N	70.8	Confident	83.7	Confident	138 Å²	138	58.6 Å²	58.6	74%	0.738	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5.1	179.7	-64.5	-50	0	0	0	114	D910 K914	D910-N912 PolarHBondContact O-N 2.85Å; D910-N912 VanDerWaalsContact O-N 3.16Å; D910-N912 WeakPolarHBondContact OD1-CB 3.48Å; D910-N912 PolarHBondContact OD1-N 3.05Å; N912-K914 PolarHBondContact O-N 3.28Å
913	A	75.2	Confident	83.1	Confident	22 Å²	22	65 Å²	65	18%	0.182	36%	0.356	C	S	.	.			trans	-60.1	134.9	177.3	0	0	0	0	0	110.9	D910 L915 W916	D910-A913 WeakPolarHBondContact O-CB 3.4Å; D910-A913 PolarHBondContact O-N 3.38Å; D910-A913 VanDerWaalsContact O-N 3.12Å; A913-L915 HydrophobicContact CB-CB 4.49Å; A913-L915 PolarHBondContact O-N 3.2Å; A913-W916 PolarHBondContact O-N 3.43Å
914	K	78.3	Confident	82.6	Confident	159 Å²	159	71 Å²	71	69%	0.691	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.3	179.3	-68.4	-176.5	179.4	179.9	0	114.3	A716 N912 W916	A716-K914 HydrophobicContact CB-CB 4.1Å; N912-K914 PolarHBondContact O-N 3.28Å; K914-W916 VanDerWaalsContact C-N 3.33Å
915	L	82.8	Confident	82.1	Confident	25 Å²	25	71.1 Å²	71.1	13%	0.131	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.8	174.5	179.3	77	0	0	0	111.9	L713 L717 I860 A913	L713-L915 HydrophobicContact CD1-CD1 4.39Å; L713-L915 WeakPolarHBondContact CD1-O 3.2Å; L717-L915 HydrophobicContact CD2-CD1 3.72Å; L717-L915 HydrophobicContact CG-CD1 4.34Å; I860-L915 HydrophobicContact CB-CD2 4.33Å; I860-L915 HydrophobicContact CD1-CD1 4.37Å; I860-L915 HydrophobicContact CD1-CD2 3.77Å; I860-L915 HydrophobicContact CD1-CG 4.4Å; I860-L915 HydrophobicContact CG1-CD1 4.17Å; I860-L915 HydrophobicContact CG1-CD2 3.53Å; I860-L915 HydrophobicContact CG1-CG 4.38Å; I860-L915 HydrophobicContact CG2-CD2 4Å; A913-L915 HydrophobicContact CB-CB 4.49Å; A913-L915 PolarHBondContact O-N 3.2Å
916	W	85.7	Confident	81.8	Confident	18 Å²	18	72.1 Å²	72.1	7%	0.068	40%	0.396	C	S	.	.	S	Bend	trans	-88.3	129.9	-178	-52.8	125.4	0	0	0	110.3	A840 F841 I860 H907 P908 A913 K914 K918	A840-W916 HydrophobicContact CB-CE3 4.11Å; A840-W916 HydrophobicContact CB-CZ3 3.61Å; F841-W916 HydrophobicContact CD2-CZ3 4.19Å; F841-W916 AromaticContact CE2-CE3 3.97Å; F841-W916 HydrophobicContact CE2-CE3 3.97Å; F841-W916 AromaticContact CE2-CZ3 3.64Å; F841-W916 HydrophobicContact CE2-CZ3 3.64Å; F841-W916 HydrophobicContact CZ-CE3 4.47Å; I860-W916 HydrophobicContact CD1-CH2 3.97Å; I860-W916 HydrophobicContact CD1-CZ3 4.21Å; I860-W916 HydrophobicContact CG2-CH2 4.11Å; I860-W916 HydrophobicContact CG2-CZ2 4.18Å; H907-W916 HydrophobicContact CB-CD2 4.06Å; H907-W916 HydrophobicContact CB-CG 4.2Å; H907-W916 HydrophobicContact CB-CZ2 4.19Å; H907-W916 AromaticContact CD2-CD2 3.96Å; H907-W916 AromaticContact CD2-CG 3.62Å; H907-W916 AromaticContact CG-CD2 3.73Å; H907-W916 AromaticContact CG-CE2 3.96Å; H907-W916 AromaticContact CG-CG 3.84Å; H907-W916 AromaticContact ND1-CD2 3.97Å; H907-W916 AromaticContact ND1-CE3 3.88Å; P908-W916 HydrophobicContact CG-CZ2 4.18Å; A913-W916 PolarHBondContact O-N 3.43Å; K914-W916 VanDerWaalsContact C-N 3.33Å; W916-K918 PolarHBondContact O-N 3.3Å
917	I	84.7	Confident	81.7	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.077	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-75.1	119	177.2	-64.1	174.5	0	0	0	108	I705 I749 T919 Q931 V933	I705-I917 HydrophobicContact CD1-CD1 3.68Å; I705-I917 HydrophobicContact CG1-CD1 4.41Å; I749-I917 HydrophobicContact CD1-CD1 4.36Å; I749-I917 HydrophobicContact CD1-CG2 4.11Å; I917-T919 PolarHBondContact O-N 3.36Å; I917-T919 VanDerWaalsContact O-N 3.15Å; I917-Q931 PolarHBondContact O-NE2 3.48Å; I917-V933 HydrophobicContact CD1-CG1 4.41Å; I917-V933 HydrophobicContact CD1-CG2 3.85Å
918	K	84.4	Confident	81.8	Confident	189 Å²	189	72 Å²	72	82%	0.822	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-49.6	120.3	-178.7	-67.1	-172.8	178.6	-174.7	0	112.1	W916	W916-K918 PolarHBondContact O-N 3.3Å
919	T	83.5	Confident	82.2	Confident	48 Å²	48	71.9 Å²	71.9	29%	0.294	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-70.6	134.3	177	-55.2	0	0	0	0	110.8	I917 P928 Y929	I917-T919 PolarHBondContact O-N 3.36Å; I917-T919 VanDerWaalsContact O-N 3.15Å; T919-P928 HydrophobicContact CG2-CB 3.95Å; T919-Y929 WeakPolarHBondContact CG2-O 3.24Å
920	A	84	Confident	82.9	Confident	45 Å²	45	69.4 Å²	69.4	37%	0.372	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-80.3	153.4	172.4	0	0	0	0	0	110.6	Y929	A920-Y929 HydrophobicContact CB-CD2 4.23Å; A920-Y929 VanDerWaalsContact O-CD2 3.27Å; A920-Y929 WeakPolarHBondContact O-CD2 3.24Å; A920-Y929 PolarHBondContact O-N 3.34Å
921	N	86.5	Confident	83.6	Confident	100 Å²	100	66.1 Å²	66.1	54%	0.535	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-91.1	149.6	169.5	-67.9	-2.6	0	0	0	110.3	R927	N921-R927 CarbonylContact C-O 3.57Å; N921-R927 WeakPolarHBondContact CA-O 3.33Å
922	T	84.2	Confident	84.6	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.8	171	64.1	0	0	0	0	109.9	P754 Y924 S925 G926 R927 Y929	P754-T922 VanDerWaalsContact CD-CG2 3.48Å; P754-T922 HydrophobicContact CG-CG2 3.86Å; T922-Y924 VanDerWaalsContact C-N 3.29Å; T922-Y924 HydrophobicContact CG2-CE1 3.95Å; T922-S925 PolarHBondContact OG1-N 3.11Å; T922-S925 PolarHBondContact OG1-OG 3.18Å; T922-G926 VanDerWaalsContact O-CA 3.31Å; T922-G926 WeakPolarHBondContact O-CA 3.28Å; T922-G926 PolarHBondContact O-N 2.77Å; T922-G926 VanDerWaalsContact O-N 3.1Å; T922-G926 PolarHBondContact OG1-N 2.96Å; T922-R927 WeakPolarHBondContact CG2-O 3.19Å; T922-R927 PolarHBondContact N-O 3.21Å; T922-R927 PolarHBondContact OG1-N 3.37Å; T922-R927 VanDerWaalsContact OG1-N 3.16Å; T922-R927 PolarHBondContact OG1-O 3.49Å; T922-Y929 HydrophobicContact CG2-CD1 4.11Å; T922-Y929 HydrophobicContact CG2-CD2 4.15Å; T922-Y929 HydrophobicContact CG2-CE1 3.8Å; T922-Y929 HydrophobicContact CG2-CE2 3.83Å; T922-Y929 HydrophobicContact CG2-CG 4.26Å
923	T	82.1	Confident	85.7	Confident	140 Å²	140	54.4 Å²	54.4	86%	0.859	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-26	177.6	48.8	0	0	0	0	112.4
924	Y	81.8	Confident	86.5	Confident	124 Å²	124	53.3 Å²	53.3	49%	0.486	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-36.8	-173.7	59.4	-90.2	0	0	0	113.8	R753 E755 T922	R753-Y924 WeakPolarHBondContact CB-OH 3.34Å; R753-Y924 WeakPolarHBondContact CD-OH 3.42Å; R753-Y924 VanDerWaalsContact CG-OH 3.27Å; R753-Y924 WeakPolarHBondContact CG-OH 3.44Å; E755-Y924 WeakPolarHBondContact OE2-CE2 3.43Å; E755-Y924 PolarHBondContact OE2-OH 3.46Å; T922-Y924 VanDerWaalsContact C-N 3.29Å; T922-Y924 HydrophobicContact CG2-CE1 3.95Å
925	S	82.4	Confident	87.2	Confident	42 Å²	42	45.8 Å²	45.8	29%	0.294	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.1	-179.7	61.6	0	0	0	0	113.8	E755 T922 R927	E755-S925 WeakPolarHBondContact OE1-CB 3.2Å; E755-S925 PolarHBondContact OE1-OG 3.43Å; T922-S925 PolarHBondContact OG1-N 3.11Å; T922-S925 PolarHBondContact OG1-OG 3.18Å; S925-R927 PolarHBondContact O-N 3.38Å
926	G	85.5	Confident	87.5	Confident	49 Å²	49	44.6 Å²	44.6	51%	0.505	24%	0.244	S	C	.	.			trans	66.5	9.8	-177	0	0	0	0	0	113.8	T922	T922-G926 VanDerWaalsContact O-CA 3.31Å; T922-G926 WeakPolarHBondContact O-CA 3.28Å; T922-G926 PolarHBondContact O-N 2.77Å; T922-G926 VanDerWaalsContact O-N 3.1Å; T922-G926 PolarHBondContact OG1-N 2.96Å
927	R	88.2	Confident	87.5	Confident	65 Å²	65	45.6 Å²	45.6	25%	0.245	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-90.7	147.9	-178.7	-67.8	174.8	-178.3	158.9	-7.6	110.2	P754 E755 E891 N921 T922 S925	P754-R927 HydrophobicContact CB-CB 4.22Å; P754-R927 HydrophobicContact CG-CB 3.59Å; E755-R927 WeakPolarHBondContact OE1-CD 3.42Å; E755-R927 IonicContact OE1-CZ 2.73Å; E755-R927 IonicContact OE1-NE 2.74Å; E755-R927 IonicContact OE1-NH1 3.01Å; E755-R927 PolarHBondContact OE1-NH1 2.97Å; E891-R927 VanDerWaalsContact CD-NH2 3.33Å; E891-R927 IonicContact OE1-CZ 4Å; E891-R927 IonicContact OE1-NH2 2.72Å; E891-R927 PolarHBondContact OE1-NH2 3.46Å; E891-R927 IonicContact OE2-NH1 2.93Å; E891-R927 IonicContact OE2-NH2 3.08Å; E891-R927 PolarHBondContact OE2-NH2 3.5Å; N921-R927 CarbonylContact C-O 3.57Å; N921-R927 WeakPolarHBondContact CA-O 3.33Å; T922-R927 WeakPolarHBondContact CG2-O 3.19Å; T922-R927 PolarHBondContact N-O 3.21Å; T922-R927 PolarHBondContact OG1-N 3.37Å; T922-R927 VanDerWaalsContact OG1-N 3.16Å; T922-R927 PolarHBondContact OG1-O 3.49Å; S925-R927 PolarHBondContact O-N 3.38Å
928	P	89.9	Confident	87.4	Confident	56 Å²	56	47.9 Å²	47.9	36%	0.364	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-66.4	139.5	176.4	27.9	-33.7	0	0	0	110.8	T919	T919-P928 HydrophobicContact CG2-CB 3.95Å
929	Y	90.2	Very high	86.9	Confident	27 Å²	27	39 Å²	39	11%	0.106	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64	150.4	169.1	-75.9	-82.9	0	0	0	110.8	R751 F752 R753 T919 A920 T922	R751-Y929 HydrophobicContact CB-CD1 3.9Å; R751-Y929 HydrophobicContact CB-CG 3.92Å; F752-Y929 WeakPolarHBondContact O-CD1 3.26Å; R753-Y929 HydrophobicContact CG-CD1 4.45Å; R753-Y929 HydrophobicContact CG-CE1 3.84Å; T919-Y929 WeakPolarHBondContact CG2-O 3.24Å; A920-Y929 HydrophobicContact CB-CD2 4.23Å; A920-Y929 VanDerWaalsContact O-CD2 3.27Å; A920-Y929 WeakPolarHBondContact O-CD2 3.24Å; A920-Y929 PolarHBondContact O-N 3.34Å; T922-Y929 HydrophobicContact CG2-CD1 4.11Å; T922-Y929 HydrophobicContact CG2-CD2 4.15Å; T922-Y929 HydrophobicContact CG2-CE1 3.8Å; T922-Y929 HydrophobicContact CG2-CE2 3.83Å; T922-Y929 HydrophobicContact CG2-CG 4.26Å
930	L	91.7	Very high	86.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.4	165.1	173.7	58.6	0	0	0	108.3	L677 R751 F752 L886 A903 S905	L677-L930 HydrophobicContact CD2-CD2 3.23Å; L677-L930 HydrophobicContact CD2-CG 4.12Å; R751-L930 CarbonylContact C-O 3.51Å; R751-L930 WeakPolarHBondContact CA-O 3.3Å; F752-L930 HydrophobicContact CB-CB 4.1Å; F752-L930 HydrophobicContact CB-CG 4.49Å; F752-L930 HydrophobicContact CD2-CG 4.29Å; F752-L930 WeakPolarHBondContact CD2-O 3.39Å; F752-L930 PolarHBondContact N-O 2.96Å; F752-L930 PolarHBondContact O-N 3.04Å; L886-L930 HydrophobicContact CD2-CD1 3.79Å; L886-L930 HydrophobicContact CD2-CD2 3.91Å; A903-L930 HydrophobicContact CB-CD2 4.47Å; S905-L930 WeakPolarHBondContact OG-CD1 3.47Å
931	Q	91.7	Very high	85.5	Confident	7 Å²	7	37 Å²	37	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.5	-167.6	-168.6	179.8	-90.3	0	0	112.1	I749 V750 R751 I917	I749-Q931 HydrophobicContact CG2-CG 3.59Å; V750-Q931 CarbonylContact O-C 3.57Å; V750-Q931 VanDerWaalsContact O-CA 3.31Å; V750-Q931 WeakPolarHBondContact O-CA 3.42Å; R751-Q931 HydrophobicContact CG-CG 4.42Å; I917-Q931 PolarHBondContact O-NE2 3.48Å
932	V	93.1	Very high	84.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.8	171.8	178.1	0	0	0	0	109.2	V750 F752 L786 I838 I842	V750-V932 WeakPolarHBondContact CB-O 3.32Å; V750-V932 PolarHBondContact N-O 2.84Å; V750-V932 PolarHBondContact O-N 2.85Å; F752-V932 HydrophobicContact CE2-CB 4.31Å; F752-V932 HydrophobicContact CE2-CG2 3.98Å; L786-V932 HydrophobicContact CD2-CG1 4.14Å; I838-V932 HydrophobicContact CD1-CG2 3.72Å; I838-V932 HydrophobicContact CG1-CG2 4.2Å; I842-V932 HydrophobicContact CB-CG1 4.35Å; I842-V932 HydrophobicContact CG2-CG1 3.76Å
933	V	93	Very high	83.6	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113	179.2	-177.3	0	0	0	0	109.3	I747 L748 A840 F841 I842 I917	I747-V933 HydrophobicContact CG2-CG1 3.77Å; L748-V933 CarbonylContact O-C 3.54Å; L748-V933 WeakPolarHBondContact O-CA 3.3Å; A840-V933 PolarHBondContact O-N 3.13Å; F841-V933 CarbonylContact C-O 3.59Å; F841-V933 WeakPolarHBondContact CA-O 3.45Å; F841-V933 HydrophobicContact CD1-CB 3.67Å; F841-V933 HydrophobicContact CD1-CG1 3.93Å; F841-V933 HydrophobicContact CD1-CG2 4.24Å; F841-V933 HydrophobicContact CE1-CB 4Å; F841-V933 HydrophobicContact CE1-CG1 4.12Å; F841-V933 HydrophobicContact CE1-CG2 4.11Å; I842-V933 PolarHBondContact N-O 3.42Å; I917-V933 HydrophobicContact CD1-CG1 4.41Å; I917-V933 HydrophobicContact CD1-CG2 3.85Å
934	G	92.6	Very high	82.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.7	179	0	0	0	0	0	113	L748 I842	L748-G934 PolarHBondContact N-O 3.13Å; L748-G934 PolarHBondContact O-N 2.97Å; I842-G934 CarbonylContact O-C 3.58Å; I842-G934 VanDerWaalsContact O-CA 3.31Å; I842-G934 WeakPolarHBondContact O-CA 3.38Å
935	F	92.8	Very high	82	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.3	166.7	-63	-82.2	0	0	0	109.3	Y738 L739 Y742 I747 F841 I842 Q843 V844 P853 I856	Y738-F935 HydrophobicContact CE1-CD1 4.27Å; Y738-F935 HydrophobicContact CE1-CD2 4.17Å; Y738-F935 HydrophobicContact CE1-CE2 4.39Å; Y738-F935 HydrophobicContact CE1-CG 4.11Å; L739-F935 HydrophobicContact CD1-CE1 3.71Å; L739-F935 HydrophobicContact CD1-CZ 4.3Å; Y742-F935 HydrophobicContact CD1-CB 4.26Å; Y742-F935 HydrophobicContact CD2-CB 4.49Å; Y742-F935 AromaticContact CD2-CD1 3.92Å; Y742-F935 HydrophobicContact CD2-CD1 3.92Å; Y742-F935 HydrophobicContact CE1-CB 3.9Å; Y742-F935 HydrophobicContact CE2-CB 4.16Å; Y742-F935 HydrophobicContact CE2-CD1 4.23Å; Y742-F935 HydrophobicContact CE2-CG 4.45Å; Y742-F935 HydrophobicContact CG-CD1 4.11Å; I747-F935 HydrophobicContact CD1-CD1 4.07Å; I747-F935 HydrophobicContact CD1-CE1 3.83Å; I747-F935 HydrophobicContact CG1-CD1 3.78Å; I747-F935 HydrophobicContact CG1-CE1 4.01Å; I747-F935 HydrophobicContact CG2-CE1 4.4Å; F841-F935 HydrophobicContact CB-CE2 4.04Å; F841-F935 AromaticContact CD1-CE2 3.74Å; F841-F935 HydrophobicContact CD1-CE2 3.74Å; F841-F935 HydrophobicContact CD1-CZ 4.04Å; F841-F935 HydrophobicContact CG-CE2 4.23Å; I842-F935 WeakPolarHBondContact O-CD2 3.3Å; I842-F935 PolarHBondContact O-N 3.22Å; Q843-F935 WeakPolarHBondContact CA-O 3.27Å; V844-F935 PolarHBondContact N-O 3.35Å; P853-F935 HydrophobicContact CG-CD2 4.41Å; P853-F935 HydrophobicContact CG-CE2 4.34Å; I856-F935 HydrophobicContact CD1-CE2 3.8Å; I856-F935 HydrophobicContact CD1-CZ 3.65Å
936	I	89.7	Confident	81.2	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.1	-170.2	-72.2	174.9	0	0	0	109.7	P672 D746 L748	P672-I936 VanDerWaalsContact CD-CD1 3.43Å; P672-I936 HydrophobicContact CG-CD1 4.23Å; D746-I936 VanDerWaalsContact O-CB 3.3Å; D746-I936 WeakPolarHBondContact O-CB 3.35Å; D746-I936 PolarHBondContact O-N 2.82Å; L748-I936 HydrophobicContact CB-CD1 3.64Å; L748-I936 HydrophobicContact CB-CG1 4.47Å; L748-I936 HydrophobicContact CD2-CD1 3.99Å; L748-I936 HydrophobicContact CG-CD1 4.42Å
937	D	86.6	Confident	80.4	Confident	39 Å²	39	36.4 Å²	36.4	21%	0.209	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-70	141.7	169.4	-72.4	5.6	0	0	0	110.7	Y742 Q843 V844 P845 N846	Y742-D937 WeakPolarHBondContact CE1-OD1 3.41Å; Y742-D937 PolarHBondContact OH-OD1 3.35Å; Q843-D937 PolarHBondContact NE2-OD1 2.82Å; V844-D937 PolarHBondContact O-N 3.04Å; P845-D937 WeakPolarHBondContact CA-OD2 3.45Å; N846-D937 HydrophobicContact CB-CB 4.43Å
938	R	81.9	Confident	79.4	Confident	63 Å²	63	34.4 Å²	34.4	24%	0.238	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-69.9	145.4	176.6	-68	173.2	174.2	-127.4	-0	111.7	G667 T743 D746	G667-R938 WeakPolarHBondContact O-CD 3.26Å; G667-R938 PolarHBondContact O-NH1 2.89Å; T743-R938 PolarHBondContact OG1-NH2 3.16Å; D746-R938 IonicContact OD1-CZ 2.76Å; D746-R938 IonicContact OD1-NE 2.71Å; D746-R938 PolarHBondContact OD1-NE 2.86Å; D746-R938 VanDerWaalsContact OD1-NE 3.1Å; D746-R938 IonicContact OD1-NH2 2.6Å; D746-R938 PolarHBondContact OD1-NH2 3.48Å; D746-R938 IonicContact OD2-CZ 3.98Å; D746-R938 IonicContact OD2-NE 2.92Å; D746-R938 PolarHBondContact OD2-NE 3.31Å; D746-R938 IonicContact OD2-NH2 3.23Å; D746-R938 PolarHBondContact OD2-NH2 3.24Å
939	A	74	Confident	78.2	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-89.6	153.1	179.8	0	0	0	0	0	112.4	G667 T668 Y792	G667-A939 CarbonylContact C-O 3.5Å; G667-A939 VanDerWaalsContact CA-O 3.28Å; G667-A939 WeakPolarHBondContact CA-O 3.4Å; T668-A939 PolarHBondContact N-O 3.25Å; T668-A939 PolarHBondContact O-N 3.36Å; T668-A939 PolarHBondContact OG1-O 2.94Å; Y792-A939 HydrophobicContact CD2-CB 4.07Å; Y792-A939 HydrophobicContact CE2-CB 3.69Å
940	F	70.4	Confident	77	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.026	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-74.9	148.2	172.8	-59.2	-56.9	0	0	0	110.8	W660 L663 Y792 N846 S942 L944 A945	W660-F940 HydrophobicContact CE3-CE1 4.26Å; W660-F940 HydrophobicContact CE3-CZ 4.02Å; W660-F940 HydrophobicContact CH2-CE1 4.11Å; W660-F940 AromaticContact CH2-CE2 3.65Å; W660-F940 HydrophobicContact CH2-CE2 3.65Å; W660-F940 AromaticContact CH2-CZ 3.14Å; W660-F940 HydrophobicContact CH2-CZ 3.14Å; W660-F940 HydrophobicContact CZ2-CZ 4.16Å; W660-F940 AromaticContact CZ3-CE1 3.68Å; W660-F940 HydrophobicContact CZ3-CE1 3.68Å; W660-F940 AromaticContact CZ3-CE2 3.57Å; W660-F940 HydrophobicContact CZ3-CE2 3.57Å; W660-F940 AromaticContact CZ3-CZ 3.04Å; W660-F940 HydrophobicContact CZ3-CZ 3.04Å; L663-F940 HydrophobicContact CB-CD1 4.01Å; L663-F940 HydrophobicContact CB-CE1 3.83Å; L663-F940 HydrophobicContact CD1-CD1 4.41Å; L663-F940 HydrophobicContact CD2-CD1 4.43Å; Y792-F940 PolarHBondContact OH-N 3.25Å; N846-F940 WeakPolarHBondContact ND2-CE2 3.44Å; N846-F940 VanDerWaalsContact ND2-CZ 3.32Å; N846-F940 WeakPolarHBondContact ND2-CZ 3.48Å; F940-S942 PolarHBondContact O-N 3.29Å; F940-L944 HydrophobicContact CB-CB 4.33Å; F940-A945 HydrophobicContact CB-CB 4.27Å
941	P	68.1	Low	76	Confident	44 Å²	44	40.3 Å²	40.3	29%	0.286	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-50.7	139.3	163.9	-25	33.9	0	0	0	110.8	F943 L944 A945	P941-F943 HydrophobicContact CB-CD1 3.67Å; P941-F943 HydrophobicContact CB-CE1 3.53Å; P941-F943 HydrophobicContact CG-CE1 4.22Å; P941-F943 PolarHBondContact O-N 3.14Å; P941-L944 HydrophobicContact CG-CD1 4.46Å; P941-L944 PolarHBondContact O-N 3.41Å; P941-A945 PolarHBondContact O-N 2.87Å
942	S	64.8	Low	74.9	Confident	66 Å²	66	41.9 Å²	41.9	46%	0.462	23%	0.234	S	C	.	.	H	α-helix	trans	-51.2	-36.5	-171.4	55.2	0	0	0	0	114.4	F940 L944 A945 K946	F940-S942 PolarHBondContact O-N 3.29Å; S942-L944 PolarHBondContact O-N 3.14Å; S942-A945 PolarHBondContact O-N 3.03Å; S942-K946 PolarHBondContact O-N 3.19Å
943	F	64.8	Low	74.2	Confident	121 Å²	121	48 Å²	48	53%	0.531	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-37.2	178.1	79.1	-86.4	0	0	0	113.4	P941	P941-F943 HydrophobicContact CB-CD1 3.67Å; P941-F943 HydrophobicContact CB-CE1 3.53Å; P941-F943 HydrophobicContact CG-CE1 4.22Å; P941-F943 PolarHBondContact O-N 3.14Å
944	L	66.8	Low	73.6	Confident	21 Å²	21	50.5 Å²	50.5	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-80.7	-38.2	178.6	-68.8	175.8	0	0	0	111.2	L663 F940 P941 S942 K946 V947 F948	L663-L944 HydrophobicContact CD1-CD1 3.8Å; L663-L944 HydrophobicContact CD2-CD1 3.27Å; L663-L944 HydrophobicContact CG-CD1 4.16Å; F940-L944 HydrophobicContact CB-CB 4.33Å; P941-L944 HydrophobicContact CG-CD1 4.46Å; P941-L944 PolarHBondContact O-N 3.41Å; S942-L944 PolarHBondContact O-N 3.14Å; L944-K946 PolarHBondContact O-N 3.34Å; L944-V947 PolarHBondContact O-N 2.83Å; L944-F948 HydrophobicContact CB-CD2 3.96Å; L944-F948 HydrophobicContact CB-CE2 4.03Å; L944-F948 HydrophobicContact CD2-CE2 4.07Å; L944-F948 HydrophobicContact CG-CE2 4.49Å; L944-F948 WeakPolarHBondContact O-CD2 3.41Å; L944-F948 PolarHBondContact O-N 3.2Å
945	A	64.7	Low	72.9	Confident	3 Å²	3	51.5 Å²	51.5	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-51	-47.7	178	0	0	0	0	0	112.2	Y792 F940 P941 S942 V947 F948 K949	Y792-A945 HydrophobicContact CD1-CB 4.46Å; Y792-A945 HydrophobicContact CE1-CB 3.22Å; Y792-A945 WeakPolarHBondContact OH-CB 3.32Å; F940-A945 HydrophobicContact CB-CB 4.27Å; P941-A945 PolarHBondContact O-N 2.87Å; S942-A945 PolarHBondContact O-N 3.03Å; A945-V947 VanDerWaalsContact C-N 3.29Å; A945-V947 PolarHBondContact O-N 2.98Å; A945-F948 CarbonylContact O-C 3.41Å; A945-F948 PolarHBondContact O-N 3.42Å; A945-F948 VanDerWaalsContact O-N 3.16Å; A945-K949 WeakPolarHBondContact O-CG 3.49Å; A945-K949 PolarHBondContact O-N 2.9Å
946	K	65.9	Low	72.5	Confident	152 Å²	152	54.3 Å²	54.3	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-59.3	-38.2	-179.9	-169.8	170.4	-176.6	170	0	112.9	S942 L944	S942-K946 PolarHBondContact O-N 3.19Å; L944-K946 PolarHBondContact O-N 3.34Å
947	V	67.4	Low	72.2	Confident	86 Å²	86	58.6 Å²	58.6	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-72.5	-41.4	177.4	-179.7	0	0	0	0	110.5	L944 A945 V955	L944-V947 PolarHBondContact O-N 2.83Å; A945-V947 VanDerWaalsContact C-N 3.29Å; A945-V947 PolarHBondContact O-N 2.98Å; V947-V955 HydrophobicContact CG1-CG1 3.86Å; V947-V955 HydrophobicContact CG1-CG2 4.15Å; V947-V955 WeakPolarHBondContact O-CG2 3.3Å
948	F	66.9	Low	72.1	Confident	23 Å²	23	59.5 Å²	59.5	10%	0.101	34%	0.336	C	S	.	.	H	α-helix	trans	-84	-2.9	-177.2	-67.3	-62.6	0	0	0	115.2	L663 L944 A945 G950 G951 V952 V955	L663-F948 HydrophobicContact CD1-CE2 4.08Å; L944-F948 HydrophobicContact CB-CD2 3.96Å; L944-F948 HydrophobicContact CB-CE2 4.03Å; L944-F948 HydrophobicContact CD2-CE2 4.07Å; L944-F948 HydrophobicContact CG-CE2 4.49Å; L944-F948 WeakPolarHBondContact O-CD2 3.41Å; L944-F948 PolarHBondContact O-N 3.2Å; A945-F948 CarbonylContact O-C 3.41Å; A945-F948 PolarHBondContact O-N 3.42Å; A945-F948 VanDerWaalsContact O-N 3.16Å; F948-G950 PolarHBondContact O-N 3.18Å; F948-G951 PolarHBondContact O-N 2.83Å; F948-V952 HydrophobicContact CD1-CG1 4.48Å; F948-V952 HydrophobicContact CD1-CG2 4.35Å; F948-V952 HydrophobicContact CE1-CG1 4.27Å; F948-V955 HydrophobicContact CD1-CB 4.04Å; F948-V955 HydrophobicContact CD1-CG1 4.16Å; F948-V955 HydrophobicContact CD1-CG2 3.92Å; F948-V955 HydrophobicContact CE1-CB 4Å; F948-V955 HydrophobicContact CE1-CG1 3.76Å; F948-V955 HydrophobicContact CE1-CG2 4.37Å
949	K	64.3	Low	72.1	Confident	113 Å²	113	58.9 Å²	58.9	49%	0.491	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-29	172.8	-75.7	-174.6	-175.6	-176.9	0	112.2	E796 A945	E796-K949 IonicContact OE2-NZ 3.71Å; E796-K949 PolarHBondContact OE2-NZ 3.37Å; E796-K949 VanDerWaalsContact OE2-NZ 3.08Å; A945-K949 WeakPolarHBondContact O-CG 3.49Å; A945-K949 PolarHBondContact O-N 2.9Å
950	G	65.8	Low	72.6	Confident	60 Å²	60	60.9 Å²	60.9	62%	0.619	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5.3	178.6	0	0	0	0	0	116.1	F948	F948-G950 PolarHBondContact O-N 3.18Å
951	G	70.1	Confident	73.3	Confident	33 Å²	33	66.1 Å²	66.1	34%	0.34	38%	0.377	S	S	.	.			trans	90.4	137.1	-176	0	0	0	0	0	113.2	F948 I953 A954 V955	F948-G951 PolarHBondContact O-N 2.83Å; G951-I953 VanDerWaalsContact C-N 3.33Å; G951-I953 PolarHBondContact O-N 2.98Å; G951-A954 PolarHBondContact O-N 2.8Å; G951-V955 PolarHBondContact O-N 2.98Å; G951-V955 VanDerWaalsContact O-N 3.13Å
952	V	69.7	Low	74	Confident	40 Å²	40	69 Å²	69	24%	0.242	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-41.6	-173.7	-170.9	0	0	0	0	112.7	W660 F948 A954 V955 Y956	W660-V952 HydrophobicContact CB-CG1 4.49Å; W660-V952 HydrophobicContact CD2-CB 4.44Å; W660-V952 HydrophobicContact CD2-CG1 3.74Å; W660-V952 HydrophobicContact CD2-CG2 3.89Å; W660-V952 HydrophobicContact CE3-CB 4.32Å; W660-V952 HydrophobicContact CE3-CG1 3.74Å; W660-V952 HydrophobicContact CE3-CG2 3.55Å; W660-V952 HydrophobicContact CG-CG1 4.06Å; W660-V952 HydrophobicContact CH2-CB 4.48Å; W660-V952 HydrophobicContact CH2-CG2 3.13Å; W660-V952 HydrophobicContact CZ2-CG2 3.53Å; W660-V952 HydrophobicContact CZ3-CB 4.33Å; W660-V952 HydrophobicContact CZ3-CG1 4.24Å; W660-V952 HydrophobicContact CZ3-CG2 3.16Å; F948-V952 HydrophobicContact CD1-CG1 4.48Å; F948-V952 HydrophobicContact CD1-CG2 4.35Å; F948-V952 HydrophobicContact CE1-CG1 4.27Å; V952-A954 VanDerWaalsContact C-N 3.31Å; V952-A954 PolarHBondContact O-N 3.03Å; V952-V955 PolarHBondContact O-N 3.5Å; V952-Y956 VanDerWaalsContact O-CB 3.27Å; V952-Y956 WeakPolarHBondContact O-CB 3.48Å; V952-Y956 PolarHBondContact O-N 2.74Å
953	I	78.9	Confident	74.7	Confident	131 Å²	131	67.4 Å²	67.4	67%	0.672	38%	0.381	S	S	*	.	H	α-helix	trans	-64.7	-40.5	-178	-62.2	167.4	0	0	0	110	G951 Y956 L957	G951-I953 VanDerWaalsContact C-N 3.33Å; G951-I953 PolarHBondContact O-N 2.98Å; I953-Y956 PolarHBondContact O-N 2.98Å; I953-L957 HydrophobicContact CG2-CD1 3.96Å; I953-L957 HydrophobicContact CG2-CG 4.4Å; I953-L957 WeakPolarHBondContact O-CB 3.1Å; I953-L957 VanDerWaalsContact O-CG 3.3Å; I953-L957 WeakPolarHBondContact O-CG 3.31Å; I953-L957 PolarHBondContact O-N 3.04Å
954	A	80.5	Confident	75.4	Confident	56 Å²	56	63 Å²	63	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-44.7	177.5	0	0	0	0	0	111.2	G951 V952 L957 S958	G951-A954 PolarHBondContact O-N 2.8Å; V952-A954 VanDerWaalsContact C-N 3.31Å; V952-A954 PolarHBondContact O-N 3.03Å; A954-L957 PolarHBondContact O-N 3.38Å; A954-S958 WeakPolarHBondContact O-CB 3.48Å; A954-S958 PolarHBondContact O-N 2.87Å; A954-S958 PolarHBondContact O-OG 2.82Å
955	V	77.9	Confident	75.9	Confident	22 Å²	22	71.5 Å²	71.5	13%	0.133	40%	0.4	C	S	.	.	H	α-helix	trans	-61.1	-48	175.1	176.5	0	0	0	0	110.7	V947 F948 G951 V952 L957 S958 V959	V947-V955 HydrophobicContact CG1-CG1 3.86Å; V947-V955 HydrophobicContact CG1-CG2 4.15Å; V947-V955 WeakPolarHBondContact O-CG2 3.3Å; F948-V955 HydrophobicContact CD1-CB 4.04Å; F948-V955 HydrophobicContact CD1-CG1 4.16Å; F948-V955 HydrophobicContact CD1-CG2 3.92Å; F948-V955 HydrophobicContact CE1-CB 4Å; F948-V955 HydrophobicContact CE1-CG1 3.76Å; F948-V955 HydrophobicContact CE1-CG2 4.37Å; G951-V955 PolarHBondContact O-N 2.98Å; G951-V955 VanDerWaalsContact O-N 3.13Å; V952-V955 PolarHBondContact O-N 3.5Å; V955-L957 PolarHBondContact O-N 3.11Å; V955-S958 WeakPolarHBondContact CA-OG 3.5Å; V955-S958 PolarHBondContact O-N 3Å; V955-S958 PolarHBondContact O-OG 2.85Å; V955-V959 HydrophobicContact CG1-CG2 4.38Å; V955-V959 WeakPolarHBondContact O-CG2 3.31Å; V955-V959 PolarHBondContact O-N 2.95Å
956	Y	82.9	Confident	76.2	Confident	58 Å²	58	73.6 Å²	73.6	23%	0.227	42%	0.422	C	S	.	.	H	α-helix	trans	-56.5	-51.2	177.4	174.4	-107.1	0	0	0	112.3	P656 L657 V952 I953 S958 V959 I960	P656-Y956 HydrophobicContact CB-CD2 3.78Å; P656-Y956 HydrophobicContact CB-CE2 4.26Å; P656-Y956 HydrophobicContact CG-CD2 4.3Å; L657-Y956 HydrophobicContact CD1-CE2 4.25Å; L657-Y956 HydrophobicContact CD2-CE2 4.31Å; L657-Y956 HydrophobicContact CG-CE2 3.85Å; V952-Y956 VanDerWaalsContact O-CB 3.27Å; V952-Y956 WeakPolarHBondContact O-CB 3.48Å; V952-Y956 PolarHBondContact O-N 2.74Å; I953-Y956 PolarHBondContact O-N 2.98Å; Y956-S958 VanDerWaalsContact C-N 3.3Å; Y956-S958 PolarHBondContact O-N 3.46Å; Y956-V959 PolarHBondContact O-N 2.89Å; Y956-I960 HydrophobicContact CD1-CD1 4.18Å; Y956-I960 HydrophobicContact CD2-CD1 3.9Å; Y956-I960 HydrophobicContact CD2-CG1 4.46Å; Y956-I960 HydrophobicContact CE1-CD1 3.55Å; Y956-I960 HydrophobicContact CE2-CD1 3.25Å; Y956-I960 HydrophobicContact CE2-CG1 4.18Å; Y956-I960 HydrophobicContact CG-CD1 4.34Å; Y956-I960 PolarHBondContact O-N 2.88Å; Y956-I960 WeakPolarHBondContact OH-CD1 3.18Å
957	L	84.4	Confident	76.5	Confident	91 Å²	91	71.5 Å²	71.5	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-40.6	176.6	-74.7	172.4	0	0	0	111.4	I953 A954 V955 L961	I953-L957 HydrophobicContact CG2-CD1 3.96Å; I953-L957 HydrophobicContact CG2-CG 4.4Å; I953-L957 WeakPolarHBondContact O-CB 3.1Å; I953-L957 VanDerWaalsContact O-CG 3.3Å; I953-L957 WeakPolarHBondContact O-CG 3.31Å; I953-L957 PolarHBondContact O-N 3.04Å; A954-L957 PolarHBondContact O-N 3.38Å; V955-L957 PolarHBondContact O-N 3.11Å; L957-L961 WeakPolarHBondContact O-CB 3.49Å; L957-L961 WeakPolarHBondContact O-CG 3.41Å; L957-L961 PolarHBondContact O-N 2.89Å
958	S	83.3	Confident	76.8	Confident	58 Å²	58	69.5 Å²	69.5	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-45.2	177.9	76.8	0	0	0	0	112	A954 V955 Y956 L961 V962	A954-S958 WeakPolarHBondContact O-CB 3.48Å; A954-S958 PolarHBondContact O-N 2.87Å; A954-S958 PolarHBondContact O-OG 2.82Å; V955-S958 WeakPolarHBondContact CA-OG 3.5Å; V955-S958 PolarHBondContact O-N 3Å; V955-S958 PolarHBondContact O-OG 2.85Å; Y956-S958 VanDerWaalsContact C-N 3.3Å; Y956-S958 PolarHBondContact O-N 3.46Å; S958-L961 PolarHBondContact O-N 3.23Å; S958-V962 VanDerWaalsContact O-CB 3.26Å; S958-V962 WeakPolarHBondContact O-CB 3.38Å; S958-V962 WeakPolarHBondContact O-CG2 3.44Å; S958-V962 PolarHBondContact O-N 2.87Å
959	V	82.1	Confident	77.4	Confident	51 Å²	51	75.7 Å²	75.7	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	-64.7	-47	179.6	170	0	0	0	0	110.3	F652 P656 V955 Y956 V963	F652-V959 HydrophobicContact CE2-CG1 4.14Å; F652-V959 HydrophobicContact CZ-CG1 3.78Å; P656-V959 HydrophobicContact CG-CG1 4.48Å; V955-V959 HydrophobicContact CG1-CG2 4.38Å; V955-V959 WeakPolarHBondContact O-CG2 3.31Å; V955-V959 PolarHBondContact O-N 2.95Å; Y956-V959 PolarHBondContact O-N 2.89Å; V959-V963 VanDerWaalsContact O-CB 3.31Å; V959-V963 WeakPolarHBondContact O-CB 3.31Å; V959-V963 WeakPolarHBondContact O-CG2 3.43Å; V959-V963 PolarHBondContact O-N 3.06Å
960	I	84.8	Confident	77.9	Confident	43 Å²	43	72.8 Å²	72.8	22%	0.221	43%	0.43	C	S	.	.	H	α-helix	trans	-65.9	-40.8	179.1	-71.8	-177.1	0	0	0	111.8	F652 Y956 G964	F652-I960 HydrophobicContact CE1-CG1 4.41Å; Y956-I960 HydrophobicContact CD1-CD1 4.18Å; Y956-I960 HydrophobicContact CD2-CD1 3.9Å; Y956-I960 HydrophobicContact CD2-CG1 4.46Å; Y956-I960 HydrophobicContact CE1-CD1 3.55Å; Y956-I960 HydrophobicContact CE2-CD1 3.25Å; Y956-I960 HydrophobicContact CE2-CG1 4.18Å; Y956-I960 HydrophobicContact CG-CD1 4.34Å; Y956-I960 PolarHBondContact O-N 2.88Å; Y956-I960 WeakPolarHBondContact OH-CD1 3.18Å; I960-G964 WeakPolarHBondContact O-CA 3.46Å; I960-G964 PolarHBondContact O-N 2.77Å
961	L	85.6	Confident	78.3	Confident	117 Å²	117	75.7 Å²	75.7	61%	0.613	43%	0.43	S	S	*	.	H	α-helix	trans	-69.1	-46	178.7	-73.6	173	0	0	0	111.7	L957 S958 R965	L957-L961 WeakPolarHBondContact O-CB 3.49Å; L957-L961 WeakPolarHBondContact O-CG 3.41Å; L957-L961 PolarHBondContact O-N 2.89Å; S958-L961 PolarHBondContact O-N 3.23Å; L961-R965 WeakPolarHBondContact O-CB 3.45Å; L961-R965 PolarHBondContact O-N 3.07Å
962	V	83.1	Confident	78.4	Confident	105 Å²	105	79.5 Å²	79.5	64%	0.636	44%	0.437	S	S	*	.	H	α-helix	trans	-65.2	-49	-178.7	170.4	0	0	0	0	110.7	S958 G966	S958-V962 VanDerWaalsContact O-CB 3.26Å; S958-V962 WeakPolarHBondContact O-CB 3.38Å; S958-V962 WeakPolarHBondContact O-CG2 3.44Å; S958-V962 PolarHBondContact O-N 2.87Å; V962-G966 VanDerWaalsContact O-CA 3.31Å; V962-G966 WeakPolarHBondContact O-CA 3.45Å; V962-G966 PolarHBondContact O-N 3.4Å
963	V	78.1	Confident	78.6	Confident	32 Å²	32	81.1 Å²	81.1	19%	0.194	45%	0.447	C	S	.	.	H	α-helix	trans	-76.7	-39.8	-178.4	174.1	0	0	0	0	111.5	F652 V959 L967 V968	F652-V963 HydrophobicContact CD1-CG1 4.12Å; F652-V963 HydrophobicContact CD2-CG1 4.03Å; F652-V963 HydrophobicContact CE1-CB 3.69Å; F652-V963 HydrophobicContact CE1-CG1 3.54Å; F652-V963 HydrophobicContact CE1-CG2 4.49Å; F652-V963 HydrophobicContact CE2-CB 3.77Å; F652-V963 HydrophobicContact CE2-CG1 3.45Å; F652-V963 VanDerWaalsContact CE2-CG1 3.45Å; F652-V963 HydrophobicContact CE2-CG2 3.78Å; F652-V963 HydrophobicContact CG-CG1 4.37Å; F652-V963 HydrophobicContact CZ-CB 3.16Å; F652-V963 HydrophobicContact CZ-CG1 3.21Å; F652-V963 HydrophobicContact CZ-CG2 3.51Å; V959-V963 VanDerWaalsContact O-CB 3.31Å; V959-V963 WeakPolarHBondContact O-CB 3.31Å; V959-V963 WeakPolarHBondContact O-CG2 3.43Å; V959-V963 PolarHBondContact O-N 3.06Å; V963-L967 HydrophobicContact CG1-CB 4.22Å; V963-L967 HydrophobicContact CG1-CD1 4.03Å; V963-L967 HydrophobicContact CG2-CD1 4.47Å; V963-L967 WeakPolarHBondContact O-CA 3.17Å; V963-L967 WeakPolarHBondContact O-CB 3.37Å; V963-L967 PolarHBondContact O-N 3.21Å; V963-V968 HydrophobicContact CG1-CG2 4.39Å; V963-V968 PolarHBondContact O-N 2.89Å
964	G	80.7	Confident	78.3	Confident	28 Å²	28	79.4 Å²	79.4	29%	0.289	44%	0.443	S	S	.	.	I	π-helix	trans	-63.4	-45.2	178	0	0	0	0	0	112.1	I960 R969	I960-G964 WeakPolarHBondContact O-CA 3.46Å; I960-G964 PolarHBondContact O-N 2.77Å; G964-R969 VanDerWaalsContact O-CB 3.31Å; G964-R969 WeakPolarHBondContact O-CB 3.5Å; G964-R969 PolarHBondContact O-N 3.33Å
965	R	78.1	Confident	78.2	Confident	199 Å²	199	79.5 Å²	79.5	75%	0.751	44%	0.44	S	S	*	.	I	π-helix	trans	-79.7	-38.5	178.8	-168.4	-178.3	168.3	87.2	3	112.7	L961	L961-R965 WeakPolarHBondContact O-CB 3.45Å; L961-R965 PolarHBondContact O-N 3.07Å
966	G	70.5	Confident	78.5	Confident	48 Å²	48	83.8 Å²	83.8	50%	0.495	47%	0.469	S	S	.	.	I	π-helix	trans	-81.2	-59.1	-175.8	0	0	0	0	0	113.2	V962 G970	V962-G966 VanDerWaalsContact O-CA 3.31Å; V962-G966 WeakPolarHBondContact O-CA 3.45Å; V962-G966 PolarHBondContact O-N 3.4Å; G966-G970 PolarHBondContact O-N 2.84Å
967	L	71.1	Confident	78.7	Confident	107 Å²	107	84.6 Å²	84.6	56%	0.56	48%	0.483	S	S	*	.	I	π-helix	trans	-88.3	-56.4	-172.1	-65.9	173.4	0	0	0	111.9	V963 G970 I971	V963-L967 HydrophobicContact CG1-CB 4.22Å; V963-L967 HydrophobicContact CG1-CD1 4.03Å; V963-L967 HydrophobicContact CG2-CD1 4.47Å; V963-L967 WeakPolarHBondContact O-CA 3.17Å; V963-L967 WeakPolarHBondContact O-CB 3.37Å; V963-L967 PolarHBondContact O-N 3.21Å; L967-G970 PolarHBondContact O-N 3.08Å; L967-I971 WeakPolarHBondContact O-CB 3.28Å; L967-I971 WeakPolarHBondContact O-CD1 3.46Å; L967-I971 WeakPolarHBondContact O-CG1 3.47Å; L967-I971 PolarHBondContact O-N 2.83Å
968	V	74.8	Confident	78.9	Confident	45 Å²	45	82.7 Å²	82.7	27%	0.273	48%	0.475	S	S	.	.	I	π-helix	trans	-64.8	-53.8	-173.5	178.7	0	0	0	0	109.9	V963 G970 I971 F972	V963-V968 HydrophobicContact CG1-CG2 4.39Å; V963-V968 PolarHBondContact O-N 2.89Å; V968-G970 PolarHBondContact O-N 2.9Å; V968-I971 PolarHBondContact O-N 2.94Å; V968-F972 HydrophobicContact CG1-CD2 3.72Å; V968-F972 HydrophobicContact CG1-CE2 3.91Å; V968-F972 WeakPolarHBondContact O-CD2 3.45Å; V968-F972 PolarHBondContact O-N 3.32Å; V968-F972 VanDerWaalsContact O-N 3.07Å
969	R	77.9	Confident	79.1	Confident	153 Å²	153	83.2 Å²	83.2	58%	0.577	48%	0.476	S	S	*	.	H	α-helix	trans	-66.1	-37	179.2	-170.6	170	-175.2	129.6	0.1	112.4	G964 I971 F972 T973	G964-R969 VanDerWaalsContact O-CB 3.31Å; G964-R969 WeakPolarHBondContact O-CB 3.5Å; G964-R969 PolarHBondContact O-N 3.33Å; R969-I971 VanDerWaalsContact C-N 3.31Å; R969-I971 PolarHBondContact O-N 3.43Å; R969-F972 PolarHBondContact O-N 2.91Å; R969-T973 HydrophobicContact CG-CG2 3.88Å; R969-T973 VanDerWaalsContact CG-OG1 3.23Å; R969-T973 WeakPolarHBondContact CG-OG1 3.48Å; R969-T973 WeakPolarHBondContact O-CB 3.38Å; R969-T973 PolarHBondContact O-N 2.9Å; R969-T973 PolarHBondContact O-OG1 3.33Å
970	G	75.4	Confident	79.4	Confident	52 Å²	52	85 Å²	85	54%	0.536	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-36	176.6	0	0	0	0	0	113.4	G966 L967 V968	G966-G970 PolarHBondContact O-N 2.84Å; L967-G970 PolarHBondContact O-N 3.08Å; V968-G970 PolarHBondContact O-N 2.9Å
971	I	74	Confident	79.6	Confident	121 Å²	121	85.4 Å²	85.4	62%	0.621	48%	0.482	S	S	*	.	H	α-helix	trans	-77.6	-40.5	178.7	-66.8	164.5	0	0	0	111.8	L967 V968 R969	L967-I971 WeakPolarHBondContact O-CB 3.28Å; L967-I971 WeakPolarHBondContact O-CD1 3.46Å; L967-I971 WeakPolarHBondContact O-CG1 3.47Å; L967-I971 PolarHBondContact O-N 2.83Å; V968-I971 PolarHBondContact O-N 2.94Å; R969-I971 VanDerWaalsContact C-N 3.31Å; R969-I971 PolarHBondContact O-N 3.43Å
972	F	73.2	Confident	79.7	Confident	112 Å²	112	81.7 Å²	81.7	49%	0.491	47%	0.465	S	S	.	.	H	α-helix	trans	-92.6	-21	-173	-66.7	-62.6	0	0	0	114.9	I645 V968 R969	I645-F972 HydrophobicContact CD1-CE1 4.2Å; I645-F972 HydrophobicContact CD1-CZ 4.45Å; I645-F972 HydrophobicContact CG2-CE1 4Å; I645-F972 HydrophobicContact CG2-CE2 4.31Å; I645-F972 HydrophobicContact CG2-CZ 3.46Å; I645-F972 VanDerWaalsContact CG2-CZ 3.46Å; V968-F972 HydrophobicContact CG1-CD2 3.72Å; V968-F972 HydrophobicContact CG1-CE2 3.91Å; V968-F972 WeakPolarHBondContact O-CD2 3.45Å; V968-F972 PolarHBondContact O-N 3.32Å; V968-F972 VanDerWaalsContact O-N 3.07Å; R969-F972 PolarHBondContact O-N 2.91Å
973	T	73.1	Confident	79.9	Confident	74 Å²	74	82.3 Å²	82.3	45%	0.454	46%	0.46	S	S	.	.			trans	-110.7	101.8	-178.7	67.5	0	0	0	0	110.9	R969	R969-T973 HydrophobicContact CG-CG2 3.88Å; R969-T973 VanDerWaalsContact CG-OG1 3.23Å; R969-T973 WeakPolarHBondContact CG-OG1 3.48Å; R969-T973 WeakPolarHBondContact O-CB 3.38Å; R969-T973 PolarHBondContact O-N 2.9Å; R969-T973 PolarHBondContact O-OG1 3.33Å
974	T	72.2	Confident	80.6	Confident	95 Å²	95	81.1 Å²	81.1	58%	0.583	45%	0.453	S	S	*	.			trans	-80.4	134.8	167.5	-53.4	0	0	0	0	109.1	T978	T974-T978 VanDerWaalsContact CG2-OG1 3.29Å; T974-T978 WeakPolarHBondContact CG2-OG1 3.25Å
975	S	79.8	Confident	81	Confident	58 Å²	58	82.8 Å²	82.8	41%	0.406	46%	0.459	S	S	.	.			trans	-67.4	133.3	176.2	-176.9	0	0	0	0	110.2	S977 T978	S975-S977 PolarHBondContact O-N 3.24Å; S975-S977 PolarHBondContact OG-N 2.85Å; S975-S977 PolarHBondContact OG-OG 3.47Å; S975-T978 PolarHBondContact O-N 3.16Å; S975-T978 PolarHBondContact O-OG1 3.31Å
976	P	84.7	Confident	81.5	Confident	113 Å²	113	74.5 Å²	74.5	73%	0.734	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-54.1	-28.5	173.4	-26.7	34.9	0	0	0	113.1	T978 V979	P976-T978 VanDerWaalsContact C-N 3.28Å; P976-T978 PolarHBondContact O-N 2.97Å; P976-V979 WeakPolarHBondContact O-CB 3.43Å; P976-V979 WeakPolarHBondContact O-CG2 3.49Å; P976-V979 PolarHBondContact O-N 2.78Å
977	S	86.1	Confident	82.4	Confident	74 Å²	74	72.3 Å²	72.3	52%	0.517	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-68	-23.1	178	65.4	0	0	0	0	114	S975 M980	S975-S977 PolarHBondContact O-N 3.24Å; S975-S977 PolarHBondContact OG-N 2.85Å; S975-S977 PolarHBondContact OG-OG 3.47Å; S977-M980 WeakPolarHBondContact O-CE 3.44Å
978	T	87.8	Confident	83.2	Confident	52 Å²	52	68.2 Å²	68.2	32%	0.319	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-89.5	-13	179.4	58.2	0	0	0	0	112.4	T974 S975 P976 M980 F981 T982	T974-T978 VanDerWaalsContact CG2-OG1 3.29Å; T974-T978 WeakPolarHBondContact CG2-OG1 3.25Å; S975-T978 PolarHBondContact O-N 3.16Å; S975-T978 PolarHBondContact O-OG1 3.31Å; P976-T978 VanDerWaalsContact C-N 3.28Å; P976-T978 PolarHBondContact O-N 2.97Å; T978-M980 PolarHBondContact O-N 2.93Å; T978-F981 PolarHBondContact O-N 2.96Å; T978-T982 WeakPolarHBondContact O-CG2 3.36Å; T978-T982 PolarHBondContact O-N 3.01Å; T978-T982 PolarHBondContact O-OG1 3.1Å
979	V	87.8	Confident	83.8	Confident	68 Å²	68	66.9 Å²	66.9	41%	0.412	38%	0.376	S	S	.	.	H	α-helix	trans	-57.4	-36.5	-177.9	177.6	0	0	0	0	111.8	P976 F981 T982 E983	P976-V979 WeakPolarHBondContact O-CB 3.43Å; P976-V979 WeakPolarHBondContact O-CG2 3.49Å; P976-V979 PolarHBondContact O-N 2.78Å; V979-F981 PolarHBondContact O-N 2.84Å; V979-F981 VanDerWaalsContact O-N 3.15Å; V979-T982 WeakPolarHBondContact CA-OG1 3.38Å; V979-T982 PolarHBondContact O-N 2.73Å; V979-E983 HydrophobicContact CG1-CB 4.27Å; V979-E983 HydrophobicContact CG1-CG 4.04Å; V979-E983 PolarHBondContact O-N 2.9Å
980	M	89.1	Confident	84.4	Confident	88 Å²	88	59.6 Å²	59.6	43%	0.433	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-24.6	176.4	63	175.7	163.3	0	0	114	S977 T978 L984 P1023	S977-M980 WeakPolarHBondContact O-CE 3.44Å; T978-M980 PolarHBondContact O-N 2.93Å; M980-L984 WeakPolarHBondContact O-CD2 3.07Å; M980-P1023 HydrophobicContact SD-CG 4.24Å
981	F	88.8	Confident	85.1	Confident	52 Å²	52	57.1 Å²	57.1	23%	0.228	32%	0.323	C	S	.	.	H	α-helix	trans	-102.4	-32	179.2	-53.3	-51.6	0	0	0	112.1	H611 I615 T978 V979 L984 F1020 L1026	H611-F981 PolarHBondContact CE1-O 3.12Å; I615-F981 WeakPolarHBondContact CD1-O 3.26Å; T978-F981 PolarHBondContact O-N 2.96Å; V979-F981 PolarHBondContact O-N 2.84Å; V979-F981 VanDerWaalsContact O-N 3.15Å; F981-L984 WeakPolarHBondContact O-CG 3.44Å; F981-F1020 AromaticContact CD1-CD1 3.79Å; F981-F1020 HydrophobicContact CD1-CD1 3.79Å; F981-F1020 HydrophobicContact CD1-CE1 4.1Å; F981-F1020 AromaticContact CE1-CD1 3.9Å; F981-F1020 HydrophobicContact CE1-CD1 3.9Å; F981-L1026 HydrophobicContact CD1-CD2 4.02Å; F981-L1026 HydrophobicContact CE1-CD2 4.29Å
982	T	87.3	Confident	85.8	Confident	40 Å²	40	53.5 Å²	53.5	25%	0.245	30%	0.303	C	S	.	.	H	α-helix	trans	-81.4	-32.7	-176.4	58.3	0	0	0	0	113.3	T978 V979 L984	T978-T982 WeakPolarHBondContact O-CG2 3.36Å; T978-T982 PolarHBondContact O-N 3.01Å; T978-T982 PolarHBondContact O-OG1 3.1Å; V979-T982 WeakPolarHBondContact CA-OG1 3.38Å; V979-T982 PolarHBondContact O-N 2.73Å; T982-L984 PolarHBondContact O-N 3.17Å
983	E	88.7	Confident	86.7	Confident	118 Å²	118	48.5 Å²	48.5	55%	0.551	28%	0.281	S	S	*	.			trans	-101.6	54.9	-176	-66.5	-60.9	154.7	0	0	112.4	R619 V979	R619-E983 IonicContact CZ-OE2 3.23Å; R619-E983 IonicContact NH2-OE2 2.83Å; R619-E983 PolarHBondContact NH2-OE2 3.19Å; V979-E983 HydrophobicContact CG1-CB 4.27Å; V979-E983 HydrophobicContact CG1-CG 4.04Å; V979-E983 PolarHBondContact O-N 2.9Å
984	L	91.5	Very high	87.6	Confident	6 Å²	6	45 Å²	45	3%	0.031	26%	0.259	C	S	.	.			trans	-82.7	126.6	172.5	-57.4	175.7	0	0	0	110.1	I615 R619 M980 F981 T982 L990 L1026 T1030	I615-L984 HydrophobicContact CD1-CB 4.43Å; I615-L984 HydrophobicContact CD1-CD1 3.92Å; I615-L984 HydrophobicContact CD1-CG 4.21Å; I615-L984 HydrophobicContact CG2-CB 4.31Å; R619-L984 PolarHBondContact NE-O 3.49Å; M980-L984 WeakPolarHBondContact O-CD2 3.07Å; F981-L984 WeakPolarHBondContact O-CG 3.44Å; T982-L984 PolarHBondContact O-N 3.17Å; L984-L990 HydrophobicContact CD1-CD1 3.64Å; L984-L1026 HydrophobicContact CD2-CD2 4Å; L984-L1026 HydrophobicContact CD2-CG 4.03Å; L984-T1030 HydrophobicContact CB-CG2 4.4Å; L984-T1030 HydrophobicContact CD1-CG2 4.3Å; L984-T1030 HydrophobicContact CD2-CG2 4.1Å; L984-T1030 HydrophobicContact CG-CG2 4.5Å
985	P	89.3	Confident	88.3	Confident	64 Å²	64	43 Å²	43	42%	0.416	25%	0.245	S	C	.	.	S	Bend	trans	-66.1	-45.1	-179.6	-20.9	31.6	0	0	0	113.1	M1032	P985-M1032 HydrophobicContact CB-CE 4.3Å; P985-M1032 HydrophobicContact CB-CG 4.45Å
986	N	88.5	Confident	88.8	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.134	24%	0.239	C	C	.	.			trans	-128.6	119.2	176.7	-174.8	11.3	0	0	0	109.9	D988 T1030	N986-D988 WeakPolarHBondContact OD1-CB 3.36Å; N986-D988 PolarHBondContact OD1-N 3.42Å; N986-D988 PolarHBondContact OD1-OD1 3.27Å; N986-D988 PolarHBondContact OD1-OD2 2.89Å; N986-T1030 WeakPolarHBondContact CB-O 3.33Å; N986-T1030 PolarHBondContact N-O 3.17Å; N986-T1030 WeakPolarHBondContact O-CA 3.46Å; N986-T1030 VanDerWaalsContact O-CB 3.26Å; N986-T1030 WeakPolarHBondContact O-CB 3.39Å; N986-T1030 WeakPolarHBondContact O-CG2 3.19Å
987	A	89.6	Confident	89.2	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.017	20%	0.204	C	C	.	.			trans	-96.6	-0.4	180	0	0	0	0	0	112.9	I612 I615 K616 H989 L990 L991	I612-A987 HydrophobicContact CG2-CB 4.16Å; I615-A987 HydrophobicContact CB-CB 4.38Å; I615-A987 HydrophobicContact CG2-CB 4.03Å; K616-A987 HydrophobicContact CB-CB 4.34Å; A987-H989 PolarHBondContact O-N 2.85Å; A987-L990 PolarHBondContact O-N 3.11Å; A987-L991 WeakPolarHBondContact O-CB 3.36Å; A987-L991 PolarHBondContact O-N 2.9Å
988	D	88.1	Confident	89.3	Confident	20 Å²	20	34.6 Å²	34.6	11%	0.107	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-45.5	-165.7	-70.3	3.5	0	0	0	112.6	L11 K616 N986 L990 L991 K992	L11-D988 HydrophobicContact CD1-CB 3.52Å; L11-D988 WeakPolarHBondContact CD1-O 3.45Å; L11-D988 HydrophobicContact CG-CB 4.28Å; K616-D988 WeakPolarHBondContact CD-OD1 3.1Å; K616-D988 WeakPolarHBondContact CE-OD1 3.38Å; K616-D988 IonicContact NZ-OD1 3.1Å; K616-D988 PolarHBondContact NZ-OD1 3.04Å; K616-D988 IonicContact NZ-OD2 3.38Å; K616-D988 PolarHBondContact NZ-OD2 2.73Å; N986-D988 WeakPolarHBondContact OD1-CB 3.36Å; N986-D988 PolarHBondContact OD1-N 3.42Å; N986-D988 PolarHBondContact OD1-OD1 3.27Å; N986-D988 PolarHBondContact OD1-OD2 2.89Å; D988-L990 VanDerWaalsContact C-N 3.34Å; D988-L990 PolarHBondContact O-N 3.28Å; D988-L991 PolarHBondContact O-N 3.23Å; D988-K992 WeakPolarHBondContact O-CB 3.27Å; D988-K992 PolarHBondContact O-N 3.23Å
989	H	86.6	Confident	89.3	Confident	18 Å²	18	36.5 Å²	36.5	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-36.5	179	-56.8	-56.9	0	0	0	112.5	P6 A987 I993 W1029	P6-H989 PolarHBondContact O-CE1 3.31Å; P6-H989 PolarHBondContact O-ND1 3.3Å; A987-H989 PolarHBondContact O-N 2.85Å; H989-I993 WeakPolarHBondContact O-CG1 2.96Å; H989-I993 PolarHBondContact O-N 3.1Å; H989-I993 VanDerWaalsContact O-N 3.15Å; H989-W1029 HydrophobicContact CB-CE3 3.86Å; H989-W1029 HydrophobicContact CB-CZ3 4.13Å; H989-W1029 PolarHBondContact CD2-O 3.01Å; H989-W1029 VanDerWaalsContact CD2-O 3.24Å
990	L	91.4	Very high	89.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69	-42.6	176	-63	177.4	0	0	0	111	I612 L984 A987 D988 K992 I993 C994 L1019 F1020 L1026 T1030	I612-L990 HydrophobicContact CD1-CB 3.85Å; I612-L990 HydrophobicContact CG1-CB 4.27Å; I612-L990 HydrophobicContact CG2-CB 4.12Å; L984-L990 HydrophobicContact CD1-CD1 3.64Å; A987-L990 PolarHBondContact O-N 3.11Å; D988-L990 VanDerWaalsContact C-N 3.34Å; D988-L990 PolarHBondContact O-N 3.28Å; L990-K992 VanDerWaalsContact C-N 3.3Å; L990-K992 PolarHBondContact O-N 2.9Å; L990-I993 PolarHBondContact O-N 2.92Å; L990-C994 PolarHBondContact O-N 3.45Å; L990-C994 VanDerWaalsContact O-N 3.12Å; L990-C994 PolarHBondContact O-SG 2.71Å; L990-L1019 HydrophobicContact CD2-CD1 3.92Å; L990-F1020 HydrophobicContact CD1-CZ 4.47Å; L990-L1026 HydrophobicContact CD1-CD1 3.84Å; L990-L1026 HydrophobicContact CD2-CD1 4.18Å; L990-T1030 HydrophobicContact CD1-CG2 3.77Å; L990-T1030 HydrophobicContact CG-CG2 4.18Å
991	L	90.2	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-40.7	177.1	-175.6	61.5	0	0	0	111	L11 Y564 Y609 I612 K616 A987 D988 C994 L995	L11-L991 HydrophobicContact CD1-CB 4.43Å; L11-L991 HydrophobicContact CD1-CD2 4.16Å; Y564-L991 HydrophobicContact CE1-CD2 3.64Å; Y564-L991 WeakPolarHBondContact OH-CD2 3.45Å; Y609-L991 HydrophobicContact CD2-CD1 4Å; Y609-L991 HydrophobicContact CE2-CD1 3.57Å; I612-L991 HydrophobicContact CG2-CB 3.83Å; I612-L991 HydrophobicContact CG2-CD1 4.22Å; K616-L991 HydrophobicContact CB-CD2 4.34Å; K616-L991 HydrophobicContact CG-CD2 4.01Å; A987-L991 WeakPolarHBondContact O-CB 3.36Å; A987-L991 PolarHBondContact O-N 2.9Å; D988-L991 PolarHBondContact O-N 3.23Å; L991-C994 WeakPolarHBondContact O-CB 3.43Å; L991-C994 PolarHBondContact O-N 2.9Å; L991-L995 HydrophobicContact CG-CD1 4.41Å; L991-L995 WeakPolarHBondContact O-CG 3.33Å; L991-L995 PolarHBondContact O-N 3.22Å
992	K	88.9	Confident	89.4	Confident	45 Å²	45	30.1 Å²	30.1	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-47.9	174.3	-173.6	175.7	-178.8	178.3	0	111.6	D9 L11 D988 L990 C994 L995 D996	D9-K992 IonicContact OD1-NZ 2.63Å; D9-K992 PolarHBondContact OD1-NZ 2.87Å; D9-K992 IonicContact OD2-NZ 3.72Å; D9-K992 PolarHBondContact OD2-NZ 3.22Å; L11-K992 HydrophobicContact CD2-CB 3.95Å; L11-K992 HydrophobicContact CD2-CG 4.38Å; L11-K992 HydrophobicContact CG-CB 4.41Å; D988-K992 WeakPolarHBondContact O-CB 3.27Å; D988-K992 PolarHBondContact O-N 3.23Å; L990-K992 VanDerWaalsContact C-N 3.3Å; L990-K992 PolarHBondContact O-N 2.9Å; K992-C994 VanDerWaalsContact C-N 3.27Å; K992-C994 PolarHBondContact O-N 3.19Å; K992-L995 CarbonylContact O-C 3.58Å; K992-L995 WeakPolarHBondContact O-CB 3.42Å; K992-L995 PolarHBondContact O-N 3.25Å; K992-D996 VanDerWaalsContact O-CG 3.24Å; K992-D996 PolarHBondContact O-N 2.99Å
993	I	91.5	Very high	89.5	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-42.8	176	-66.9	167	0	0	0	111	H989 L990 L995 D996 I997 L1016 L1019 W1029	H989-I993 WeakPolarHBondContact O-CG1 2.96Å; H989-I993 PolarHBondContact O-N 3.1Å; H989-I993 VanDerWaalsContact O-N 3.15Å; L990-I993 PolarHBondContact O-N 2.92Å; I993-L995 PolarHBondContact O-N 3.16Å; I993-D996 PolarHBondContact O-N 3.39Å; I993-I997 HydrophobicContact CG2-CD1 4.1Å; I993-I997 VanDerWaalsContact O-CG1 3.27Å; I993-I997 WeakPolarHBondContact O-CG1 3.43Å; I993-I997 PolarHBondContact O-N 3.35Å; I993-L1016 HydrophobicContact CG2-CB 4.3Å; I993-L1016 HydrophobicContact CG2-CD1 4.2Å; I993-L1019 HydrophobicContact CD1-CD1 3.68Å; I993-W1029 HydrophobicContact CD1-CE3 4.31Å; I993-W1029 HydrophobicContact CD1-CZ3 3.89Å
994	C	91.3	Very high	89.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-42	176.2	-64.5	0	0	0	0	112.5	Y609 L990 L991 K992 I997 Y998	Y609-C994 HydrophobicContact CD2-CB 3.68Å; Y609-C994 HydrophobicContact CE2-CB 4.47Å; L990-C994 PolarHBondContact O-N 3.45Å; L990-C994 VanDerWaalsContact O-N 3.12Å; L990-C994 PolarHBondContact O-SG 2.71Å; L991-C994 WeakPolarHBondContact O-CB 3.43Å; L991-C994 PolarHBondContact O-N 2.9Å; K992-C994 VanDerWaalsContact C-N 3.27Å; K992-C994 PolarHBondContact O-N 3.19Å; C994-I997 PolarHBondContact O-N 3Å; C994-Y998 WeakPolarHBondContact O-CD2 3.3Å; C994-Y998 PolarHBondContact O-N 3.22Å
995	L	88	Confident	89.7	Confident	54 Å²	54	35.2 Å²	35.2	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-40.3	175.9	-67	174.6	0	0	0	112.1	L11 Y609 L991 K992 I993 Y998 L999	L11-L995 HydrophobicContact CD2-CD1 4.06Å; Y609-L995 HydrophobicContact CE2-CD2 4.41Å; L991-L995 HydrophobicContact CG-CD1 4.41Å; L991-L995 WeakPolarHBondContact O-CG 3.33Å; L991-L995 PolarHBondContact O-N 3.22Å; K992-L995 CarbonylContact O-C 3.58Å; K992-L995 WeakPolarHBondContact O-CB 3.42Å; K992-L995 PolarHBondContact O-N 3.25Å; I993-L995 PolarHBondContact O-N 3.16Å; L995-Y998 HydrophobicContact CD2-CD2 4.4Å; L995-Y998 WeakPolarHBondContact O-CB 3.47Å; L995-Y998 PolarHBondContact O-N 2.78Å; L995-L999 PolarHBondContact O-N 2.91Å
996	D	90.7	Very high	89.8	Confident	53 Å²	53	35.6 Å²	35.6	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-63.9	-41.5	175.9	-66.2	-21.5	0	0	0	111	K992 I993 Y998 L999 V1000 L1012	K992-D996 VanDerWaalsContact O-CG 3.24Å; K992-D996 PolarHBondContact O-N 2.99Å; I993-D996 PolarHBondContact O-N 3.39Å; D996-Y998 VanDerWaalsContact C-N 3.29Å; D996-Y998 PolarHBondContact O-N 3.4Å; D996-L999 PolarHBondContact O-N 3.45Å; D996-V1000 VanDerWaalsContact O-CB 3.32Å; D996-V1000 WeakPolarHBondContact O-CB 3.32Å; D996-V1000 WeakPolarHBondContact O-CG2 3.43Å; D996-V1000 PolarHBondContact O-N 3.14Å; D996-L1012 HydrophobicContact CB-CD1 4.01Å
997	I	91.3	Very high	90.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-44	174.4	-66.9	164	0	0	0	110.4	M597 M605 I993 C994 R1001 E1009 L1012 F1013 L1016	M597-I997 HydrophobicContact CE-CG2 3.64Å; M605-I997 HydrophobicContact CE-CB 3.77Å; M605-I997 HydrophobicContact CE-CG2 3.33Å; I993-I997 HydrophobicContact CG2-CD1 4.1Å; I993-I997 VanDerWaalsContact O-CG1 3.27Å; I993-I997 WeakPolarHBondContact O-CG1 3.43Å; I993-I997 PolarHBondContact O-N 3.35Å; C994-I997 PolarHBondContact O-N 3Å; I997-R1001 WeakPolarHBondContact O-CB 3.43Å; I997-R1001 PolarHBondContact O-N 3.02Å; I997-E1009 HydrophobicContact CG2-CG 4.3Å; I997-L1012 HydrophobicContact CD1-CB 4.26Å; I997-L1012 HydrophobicContact CG1-CB 3.53Å; I997-L1012 HydrophobicContact CG1-CD1 4.25Å; I997-F1013 HydrophobicContact CD1-CB 4.46Å; I997-L1016 HydrophobicContact CD1-CD2 4.15Å
998	Y	88.6	Confident	90.3	Very high	16 Å²	16	43.9 Å²	43.9	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-46.5	176.4	-66.2	-56.5	0	0	0	111.4	I556 M605 E606 Y609 C994 L995 D996 V1000 R1001 E1002	I556-Y998 VanDerWaalsContact CD1-CB 3.43Å; I556-Y998 WeakPolarHBondContact CD1-O 3.33Å; I556-Y998 HydrophobicContact CG1-CG 4.44Å; I556-Y998 VanDerWaalsContact CG2-CB 3.41Å; I556-Y998 HydrophobicContact CG2-CD1 4.4Å; I556-Y998 HydrophobicContact CG2-CD2 3.62Å; I556-Y998 HydrophobicContact CG2-CE2 4.48Å; I556-Y998 HydrophobicContact CG2-CG 3.61Å; M605-Y998 HydrophobicContact CE-CD1 3.6Å; M605-Y998 HydrophobicContact CE-CD2 4.43Å; M605-Y998 HydrophobicContact CE-CE1 3.38Å; M605-Y998 HydrophobicContact CE-CE2 4.23Å; M605-Y998 HydrophobicContact CE-CG 4.11Å; M605-Y998 HydrophobicContact SD-CE1 3.81Å; E606-Y998 WeakPolarHBondContact OE1-CE1 3.48Å; E606-Y998 PolarHBondContact OE1-OH 2.72Å; E606-Y998 PolarHBondContact OE2-OH 3.28Å; Y609-Y998 HydrophobicContact CD1-CE2 4.43Å; Y609-Y998 WeakPolarHBondContact CD1-OH 3.41Å; Y609-Y998 AromaticContact CD2-CE2 3.86Å; Y609-Y998 HydrophobicContact CD2-CE2 3.86Å; Y609-Y998 AromaticContact CE2-CE2 3.93Å; Y609-Y998 HydrophobicContact CE2-CE2 3.93Å; Y609-Y998 HydrophobicContact CG-CE2 4.11Å; C994-Y998 WeakPolarHBondContact O-CD2 3.3Å; C994-Y998 PolarHBondContact O-N 3.22Å; L995-Y998 HydrophobicContact CD2-CD2 4.4Å; L995-Y998 WeakPolarHBondContact O-CB 3.47Å; L995-Y998 PolarHBondContact O-N 2.78Å; D996-Y998 VanDerWaalsContact C-N 3.29Å; D996-Y998 PolarHBondContact O-N 3.4Å; Y998-V1000 VanDerWaalsContact C-N 3.34Å; Y998-V1000 PolarHBondContact O-N 3.3Å; Y998-R1001 WeakPolarHBondContact O-CB 3.45Å; Y998-R1001 PolarHBondContact O-N 3.14Å; Y998-E1002 PolarHBondContact O-N 3.11Å; Y998-E1002 VanDerWaalsContact O-N 3.08Å
999	L	88	Confident	90.6	Very high	92 Å²	92	42.9 Å²	42.9	48%	0.482	22%	0.22	S	C	.	.	H	α-helix	trans	-58.7	-45.7	179.4	-177.1	151.9	0	0	0	111.9	L554 L995 D996 R1001 E1002 A1003	L554-L999 HydrophobicContact CD1-CB 4.45Å; L554-L999 HydrophobicContact CD1-CG 4.37Å; L995-L999 PolarHBondContact O-N 2.91Å; D996-L999 PolarHBondContact O-N 3.45Å; L999-R1001 VanDerWaalsContact C-N 3.33Å; L999-R1001 PolarHBondContact O-N 3.34Å; L999-E1002 PolarHBondContact O-N 2.99Å; L999-A1003 PolarHBondContact O-N 3.25Å
1000	V	91.4	Very high	90.9	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.067	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-36.9	179.3	168.9	0	0	0	0	111.7	D996 Y998 A1003 K1004 D1005 L1008 E1009 L1012	D996-V1000 VanDerWaalsContact O-CB 3.32Å; D996-V1000 WeakPolarHBondContact O-CB 3.32Å; D996-V1000 WeakPolarHBondContact O-CG2 3.43Å; D996-V1000 PolarHBondContact O-N 3.14Å; Y998-V1000 VanDerWaalsContact C-N 3.34Å; Y998-V1000 PolarHBondContact O-N 3.3Å; V1000-A1003 CarbonylContact O-C 3.59Å; V1000-A1003 PolarHBondContact O-N 3.27Å; V1000-K1004 PolarHBondContact O-N 2.68Å; V1000-K1004 VanDerWaalsContact O-N 3.08Å; V1000-D1005 HydrophobicContact CG1-CB 4.09Å; V1000-D1005 WeakPolarHBondContact CG1-O 3.4Å; V1000-D1005 PolarHBondContact O-N 2.78Å; V1000-D1005 VanDerWaalsContact O-N 3.16Å; V1000-L1008 HydrophobicContact CG1-CB 3.69Å; V1000-L1008 HydrophobicContact CG1-CD2 4.1Å; V1000-L1008 HydrophobicContact CG1-CG 3.91Å; V1000-L1008 HydrophobicContact CG2-CD2 3.57Å; V1000-L1008 HydrophobicContact CG2-CG 3.97Å; V1000-E1009 HydrophobicContact CG1-CB 4.05Å; V1000-E1009 VanDerWaalsContact CG1-N 3.34Å; V1000-L1012 HydrophobicContact CB-CD1 4.49Å; V1000-L1012 HydrophobicContact CG2-CD1 3.92Å
1001	R	90.3	Very high	91.1	Very high	13 Å²	13	50.4 Å²	50.4	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-44.2	172.5	-175.7	-174.9	-64	160.6	-3.6	111.7	T593 I997 Y998 L999 K1004 E1009	T593-R1001 HydrophobicContact CG2-CG 3.99Å; I997-R1001 WeakPolarHBondContact O-CB 3.43Å; I997-R1001 PolarHBondContact O-N 3.02Å; Y998-R1001 WeakPolarHBondContact O-CB 3.45Å; Y998-R1001 PolarHBondContact O-N 3.14Å; L999-R1001 VanDerWaalsContact C-N 3.33Å; L999-R1001 PolarHBondContact O-N 3.34Å; R1001-K1004 PolarHBondContact O-N 2.93Å; R1001-K1004 VanDerWaalsContact O-N 3.14Å; R1001-E1009 IonicContact CZ-OE1 3.27Å; R1001-E1009 IonicContact NE-OE1 2.78Å; R1001-E1009 PolarHBondContact NE-OE1 2.83Å; R1001-E1009 IonicContact NH2-OE1 2.78Å; R1001-E1009 PolarHBondContact NH2-OE1 2.9Å
1002	E	85.8	Confident	91.3	Very high	50 Å²	50	51.4 Å²	51.4	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-33.9	176.2	-72.5	-75.5	-158.9	0	0	112.9	K491 L554 C555 I556 Y998 L999 K1004	K491-E1002 VanDerWaalsContact NZ-CD 3.3Å; K491-E1002 IonicContact NZ-OE1 3.39Å; K491-E1002 PolarHBondContact NZ-OE1 2.81Å; K491-E1002 IonicContact NZ-OE2 2.76Å; K491-E1002 PolarHBondContact NZ-OE2 3.29Å; L554-E1002 HydrophobicContact CD1-CB 4.29Å; L554-E1002 HydrophobicContact CD1-CG 4.32Å; C555-E1002 PolarHBondContact N-OE1 2.95Å; I556-E1002 HydrophobicContact CD1-CB 4.22Å; I556-E1002 HydrophobicContact CD1-CG 3.31Å; I556-E1002 HydrophobicContact CG1-CG 4.03Å; Y998-E1002 PolarHBondContact O-N 3.11Å; Y998-E1002 VanDerWaalsContact O-N 3.08Å; L999-E1002 PolarHBondContact O-N 2.99Å; E1002-K1004 PolarHBondContact O-N 2.71Å
1003	A	89.3	Confident	91.5	Very high	70 Å²	70	49.9 Å²	49.9	58%	0.579	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.8	172.3	0	0	0	0	0	113.3	L999 V1000 D1005	L999-A1003 PolarHBondContact O-N 3.25Å; V1000-A1003 CarbonylContact O-C 3.59Å; V1000-A1003 PolarHBondContact O-N 3.27Å; A1003-D1005 PolarHBondContact O-N 3.16Å
1004	K	90.2	Very high	91.6	Very high	124 Å²	124	52.1 Å²	52.1	54%	0.539	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	25.1	-177.8	-56.5	-177.3	174.2	-169.2	0	114.5	D594 V1000 R1001 E1002 F1006	D594-K1004 IonicContact OD2-NZ 3.5Å; D594-K1004 PolarHBondContact OD2-NZ 3.28Å; V1000-K1004 PolarHBondContact O-N 2.68Å; V1000-K1004 VanDerWaalsContact O-N 3.08Å; R1001-K1004 PolarHBondContact O-N 2.93Å; R1001-K1004 VanDerWaalsContact O-N 3.14Å; E1002-K1004 PolarHBondContact O-N 2.71Å; K1004-F1006 HydrophobicContact CB-CE2 4.39Å; K1004-F1006 HydrophobicContact CB-CZ 4.06Å; K1004-F1006 HydrophobicContact CG-CZ 4.38Å; K1004-F1006 PolarHBondContact O-N 2.67Å
1005	D	93.7	Very high	91.7	Very high	76 Å²	76	53.3 Å²	53.3	41%	0.406	28%	0.281	S	S	.	.			trans	-89.3	81.1	171	-175.2	-4.5	0	0	0	110.1	V1000 A1003 M1007 L1008 E1009	V1000-D1005 HydrophobicContact CG1-CB 4.09Å; V1000-D1005 WeakPolarHBondContact CG1-O 3.4Å; V1000-D1005 PolarHBondContact O-N 2.78Å; V1000-D1005 VanDerWaalsContact O-N 3.16Å; A1003-D1005 PolarHBondContact O-N 3.16Å; D1005-M1007 VanDerWaalsContact C-N 3.26Å; D1005-M1007 PolarHBondContact O-N 2.97Å; D1005-M1007 PolarHBondContact OD1-N 3.47Å; D1005-L1008 HydrophobicContact CB-CB 4.41Å; D1005-L1008 PolarHBondContact O-N 3Å; D1005-L1008 PolarHBondContact OD1-N 3.15Å; D1005-E1009 PolarHBondContact O-N 2.9Å
1006	F	93.2	Very high	91.9	Very high	73 Å²	73	50.8 Å²	50.8	32%	0.32	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-25.5	-174.5	-59.6	-50.6	0	0	0	114.2	D594 S596 K1004 E1009 Q1010	D594-F1006 HydrophobicContact CB-CE1 4.38Å; D594-F1006 HydrophobicContact CB-CZ 4Å; D594-F1006 WeakPolarHBondContact O-CE1 3.36Å; S596-F1006 PolarHBondContact OG-O 3.05Å; K1004-F1006 HydrophobicContact CB-CE2 4.39Å; K1004-F1006 HydrophobicContact CB-CZ 4.06Å; K1004-F1006 HydrophobicContact CG-CZ 4.38Å; K1004-F1006 PolarHBondContact O-N 2.67Å; F1006-E1009 WeakPolarHBondContact O-CB 3.41Å; F1006-E1009 PolarHBondContact O-N 3.03Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.38Å; F1006-Q1010 PolarHBondContact O-N 3.15Å; F1006-Q1010 VanDerWaalsContact O-N 3.16Å
1007	M	94.4	Very high	92.1	Very high	131 Å²	131	51.5 Å²	51.5	65%	0.645	27%	0.271	S	S	*	.	H	α-helix	trans	-68.4	-47.5	177.1	-71.9	-65.1	-64	0	0	110	D1005 E1009 Q1010 D1011	D1005-M1007 VanDerWaalsContact C-N 3.26Å; D1005-M1007 PolarHBondContact O-N 2.97Å; D1005-M1007 PolarHBondContact OD1-N 3.47Å; M1007-E1009 VanDerWaalsContact C-N 3.29Å; M1007-E1009 PolarHBondContact O-N 3.35Å; M1007-Q1010 PolarHBondContact O-N 3.48Å; M1007-D1011 PolarHBondContact O-N 3.37Å
1008	L	94	Very high	92.2	Very high	69 Å²	69	56 Å²	56	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-32.2	176.8	-174.8	62.3	0	0	0	111.8	V1000 D1005 D1011 L1012	V1000-L1008 HydrophobicContact CG1-CB 3.69Å; V1000-L1008 HydrophobicContact CG1-CD2 4.1Å; V1000-L1008 HydrophobicContact CG1-CG 3.91Å; V1000-L1008 HydrophobicContact CG2-CD2 3.57Å; V1000-L1008 HydrophobicContact CG2-CG 3.97Å; D1005-L1008 HydrophobicContact CB-CB 4.41Å; D1005-L1008 PolarHBondContact O-N 3Å; D1005-L1008 PolarHBondContact OD1-N 3.15Å; L1008-D1011 PolarHBondContact O-N 2.92Å; L1008-L1012 HydrophobicContact CD1-CD1 4.44Å; L1008-L1012 HydrophobicContact CD1-CG 4.15Å; L1008-L1012 HydrophobicContact CG-CD1 4.11Å; L1008-L1012 HydrophobicContact CG-CG 4.28Å; L1008-L1012 WeakPolarHBondContact O-CB 3.48Å; L1008-L1012 VanDerWaalsContact O-CG 3.31Å; L1008-L1012 WeakPolarHBondContact O-CG 3.35Å; L1008-L1012 PolarHBondContact O-N 2.98Å
1009	E	94	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-49.2	172.8	178	-176.4	-150.4	0	0	111	T595 S596 M597 I997 V1000 R1001 D1005 F1006 M1007 F1013	T595-E1009 VanDerWaalsContact OG1-CD 3.23Å; T595-E1009 PolarHBondContact OG1-OE1 2.94Å; T595-E1009 PolarHBondContact OG1-OE2 3.32Å; T595-E1009 VanDerWaalsContact OG1-OE2 3.09Å; S596-E1009 PolarHBondContact N-OE2 3.33Å; S596-E1009 VanDerWaalsContact N-OE2 3.07Å; S596-E1009 PolarHBondContact OG-OE2 2.69Å; M597-E1009 HydrophobicContact CE-CG 3.37Å; M597-E1009 HydrophobicContact CG-CG 4.32Å; I997-E1009 HydrophobicContact CG2-CG 4.3Å; V1000-E1009 HydrophobicContact CG1-CB 4.05Å; V1000-E1009 VanDerWaalsContact CG1-N 3.34Å; R1001-E1009 IonicContact CZ-OE1 3.27Å; R1001-E1009 IonicContact NE-OE1 2.78Å; R1001-E1009 PolarHBondContact NE-OE1 2.83Å; R1001-E1009 IonicContact NH2-OE1 2.78Å; R1001-E1009 PolarHBondContact NH2-OE1 2.9Å; D1005-E1009 PolarHBondContact O-N 2.9Å; F1006-E1009 WeakPolarHBondContact O-CB 3.41Å; F1006-E1009 PolarHBondContact O-N 3.03Å; M1007-E1009 VanDerWaalsContact C-N 3.29Å; M1007-E1009 PolarHBondContact O-N 3.35Å; E1009-F1013 WeakPolarHBondContact O-CB 3.35Å; E1009-F1013 PolarHBondContact O-N 2.97Å
1010	Q	93.5	Very high	92.5	Very high	91 Å²	91	52 Å²	52	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-42	178.5	-70	-175.9	-7.3	0	0	112.1	S596 F1006 M1007 F1013 A1014	S596-Q1010 WeakPolarHBondContact OG-CG 3.3Å; S596-Q1010 PolarHBondContact OG-NE2 2.89Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.38Å; F1006-Q1010 PolarHBondContact O-N 3.15Å; F1006-Q1010 VanDerWaalsContact O-N 3.16Å; M1007-Q1010 PolarHBondContact O-N 3.48Å; Q1010-F1013 PolarHBondContact O-N 3.31Å; Q1010-A1014 WeakPolarHBondContact O-CB 3.39Å; Q1010-A1014 PolarHBondContact O-N 2.98Å
1011	D	94.8	Very high	92.5	Very high	85 Å²	85	61.7 Å²	61.7	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-46	179	-83.6	-7.7	0	0	0	111.9	M1 M1007 L1008 A1014 K1015	M1-D1011 HydrophobicContact CE-CB 3.85Å; M1-D1011 WeakPolarHBondContact CE-O 3.38Å; M1007-D1011 PolarHBondContact O-N 3.37Å; L1008-D1011 PolarHBondContact O-N 2.92Å; D1011-A1014 PolarHBondContact O-N 2.78Å; D1011-K1015 WeakPolarHBondContact O-CB 3.39Å; D1011-K1015 PolarHBondContact O-N 3.4Å
1012	L	93.9	Very high	92.6	Very high	20 Å²	20	62.7 Å²	62.7	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-38.4	177.2	-72.3	176	0	0	0	112	D996 I997 V1000 L1008 K1015 L1016	D996-L1012 HydrophobicContact CB-CD1 4.01Å; I997-L1012 HydrophobicContact CD1-CB 4.26Å; I997-L1012 HydrophobicContact CG1-CB 3.53Å; I997-L1012 HydrophobicContact CG1-CD1 4.25Å; V1000-L1012 HydrophobicContact CB-CD1 4.49Å; V1000-L1012 HydrophobicContact CG2-CD1 3.92Å; L1008-L1012 HydrophobicContact CD1-CD1 4.44Å; L1008-L1012 HydrophobicContact CD1-CG 4.15Å; L1008-L1012 HydrophobicContact CG-CD1 4.11Å; L1008-L1012 HydrophobicContact CG-CG 4.28Å; L1008-L1012 WeakPolarHBondContact O-CB 3.48Å; L1008-L1012 VanDerWaalsContact O-CG 3.31Å; L1008-L1012 WeakPolarHBondContact O-CG 3.35Å; L1008-L1012 PolarHBondContact O-N 2.98Å; L1012-K1015 WeakPolarHBondContact O-CB 3.39Å; L1012-K1015 PolarHBondContact O-N 3Å; L1012-L1016 PolarHBondContact O-N 3.39Å
1013	F	94	Very high	92.8	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-41.5	174.8	-177.9	-115.5	0	0	0	112.5	M597 D601 M605 I997 E1009 Q1010 K1015 L1016 I1017	M597-F1013 HydrophobicContact CE-CB 3.48Å; M597-F1013 VanDerWaalsContact CE-CB 3.48Å; M597-F1013 HydrophobicContact CE-CD1 4.38Å; M597-F1013 HydrophobicContact CE-CD2 4.07Å; M597-F1013 HydrophobicContact CE-CG 3.73Å; M597-F1013 HydrophobicContact SD-CB 4.41Å; M597-F1013 HydrophobicContact SD-CD1 4.26Å; M597-F1013 HydrophobicContact SD-CD2 4.2Å; M597-F1013 HydrophobicContact SD-CG 4.03Å; D601-F1013 HydrophobicContact CB-CE1 3.66Å; D601-F1013 HydrophobicContact CB-CZ 3.82Å; M605-F1013 HydrophobicContact CB-CD2 4.15Å; M605-F1013 HydrophobicContact CB-CE2 3.75Å; M605-F1013 HydrophobicContact CG-CD2 4.22Å; M605-F1013 HydrophobicContact CG-CE2 4.31Å; I997-F1013 HydrophobicContact CD1-CB 4.46Å; E1009-F1013 WeakPolarHBondContact O-CB 3.35Å; E1009-F1013 PolarHBondContact O-N 2.97Å; Q1010-F1013 PolarHBondContact O-N 3.31Å; F1013-K1015 VanDerWaalsContact C-N 3.3Å; F1013-K1015 PolarHBondContact O-N 3.48Å; F1013-L1016 WeakPolarHBondContact O-CB 3.1Å; F1013-L1016 PolarHBondContact O-N 3.28Å; F1013-L1016 VanDerWaalsContact O-N 3.14Å; F1013-I1017 HydrophobicContact CD1-CD1 3.91Å; F1013-I1017 HydrophobicContact CE1-CD1 3.36Å; F1013-I1017 HydrophobicContact CE1-CG1 4.27Å; F1013-I1017 HydrophobicContact CE2-CD1 4.23Å; F1013-I1017 HydrophobicContact CE2-CG1 4.33Å; F1013-I1017 HydrophobicContact CZ-CD1 3.56Å; F1013-I1017 HydrophobicContact CZ-CG1 4.12Å; F1013-I1017 PolarHBondContact O-N 2.9Å
1014	A	93.8	Very high	92.9	Very high	54 Å²	54	63.3 Å²	63.3	45%	0.446	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-39.6	173.4	0	0	0	0	0	111.6	Q1010 D1011 I1017 F1018	Q1010-A1014 WeakPolarHBondContact O-CB 3.39Å; Q1010-A1014 PolarHBondContact O-N 2.98Å; D1011-A1014 PolarHBondContact O-N 2.78Å; A1014-I1017 PolarHBondContact O-N 3.48Å; A1014-F1018 WeakPolarHBondContact O-CB 3.25Å; A1014-F1018 PolarHBondContact O-N 2.91Å
1015	K	92.9	Very high	92.9	Very high	25 Å²	25	58.9 Å²	58.9	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-44.6	172.1	-176.9	-176.4	177.6	-174.3	0	111.5	M1 F2 D1011 L1012 F1013 F1018 L1019	M1-K1015 HydrophobicContact CE-CB 3.96Å; M1-K1015 HydrophobicContact CE-CD 4.19Å; M1-K1015 HydrophobicContact CG-CD 4.43Å; M1-K1015 HydrophobicContact SD-CB 4.34Å; F2-K1015 HydrophobicContact CE1-CG 3.85Å; F2-K1015 HydrophobicContact CZ-CG 4.33Å; D1011-K1015 WeakPolarHBondContact O-CB 3.39Å; D1011-K1015 PolarHBondContact O-N 3.4Å; L1012-K1015 WeakPolarHBondContact O-CB 3.39Å; L1012-K1015 PolarHBondContact O-N 3Å; F1013-K1015 VanDerWaalsContact C-N 3.3Å; F1013-K1015 PolarHBondContact O-N 3.48Å; K1015-F1018 PolarHBondContact O-N 2.71Å; K1015-L1019 WeakPolarHBondContact O-CG 3.32Å; K1015-L1019 PolarHBondContact O-N 3.43Å
1016	L	92.9	Very high	92.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-47.8	177.2	-172.6	67.2	0	0	0	111.4	F608 I993 I997 L1012 F1013 F1018 L1019 F1020	F608-L1016 HydrophobicContact CB-CD2 4.28Å; F608-L1016 HydrophobicContact CD2-CD2 4.16Å; I993-L1016 HydrophobicContact CG2-CB 4.3Å; I993-L1016 HydrophobicContact CG2-CD1 4.2Å; I997-L1016 HydrophobicContact CD1-CD2 4.15Å; L1012-L1016 PolarHBondContact O-N 3.39Å; F1013-L1016 WeakPolarHBondContact O-CB 3.1Å; F1013-L1016 PolarHBondContact O-N 3.28Å; F1013-L1016 VanDerWaalsContact O-N 3.14Å; L1016-F1018 VanDerWaalsContact C-N 3.32Å; L1016-F1018 PolarHBondContact O-N 3.36Å; L1016-L1019 PolarHBondContact O-N 3.14Å; L1016-F1020 HydrophobicContact CD1-CD2 4.18Å; L1016-F1020 HydrophobicContact CD1-CE2 3.83Å; L1016-F1020 HydrophobicContact CG-CD2 4.22Å; L1016-F1020 HydrophobicContact CG-CE2 4.21Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-F1020 PolarHBondContact O-N 2.9Å; L1016-F1020 VanDerWaalsContact O-N 3.14Å
1017	I	93.2	Very high	92.5	Very high	69 Å²	69	57.8 Å²	57.8	35%	0.354	30%	0.302	S	S	.	.	H	α-helix	trans	-58.9	-43.8	175.6	-71.5	176.8	0	0	0	111	F1013 A1014 L1019 F1020 R1021	F1013-I1017 HydrophobicContact CD1-CD1 3.91Å; F1013-I1017 HydrophobicContact CE1-CD1 3.36Å; F1013-I1017 HydrophobicContact CE1-CG1 4.27Å; F1013-I1017 HydrophobicContact CE2-CD1 4.23Å; F1013-I1017 HydrophobicContact CE2-CG1 4.33Å; F1013-I1017 HydrophobicContact CZ-CD1 3.56Å; F1013-I1017 HydrophobicContact CZ-CG1 4.12Å; F1013-I1017 PolarHBondContact O-N 2.9Å; A1014-I1017 PolarHBondContact O-N 3.48Å; I1017-L1019 VanDerWaalsContact C-N 3.33Å; I1017-L1019 PolarHBondContact O-N 3.1Å; I1017-F1020 PolarHBondContact O-N 2.93Å; I1017-R1021 WeakPolarHBondContact O-CB 3.23Å; I1017-R1021 PolarHBondContact O-N 2.93Å
1018	F	93.2	Very high	92.2	Very high	95 Å²	95	58.3 Å²	58.3	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-42.3	179.2	-177.6	-93.1	0	0	0	112.1	F2 A1014 K1015 L1016 R1021 S1022 T1025	F2-F1018 HydrophobicContact CD1-CD1 4.39Å; F2-F1018 HydrophobicContact CD1-CE1 4.5Å; F2-F1018 AromaticContact CE1-CD1 3.49Å; F2-F1018 HydrophobicContact CE1-CD1 3.49Å; F2-F1018 VanDerWaalsContact CE1-CD1 3.49Å; F2-F1018 AromaticContact CE1-CE1 3.98Å; F2-F1018 HydrophobicContact CE1-CE1 3.98Å; F2-F1018 HydrophobicContact CE1-CG 4.31Å; F2-F1018 HydrophobicContact CE2-CD1 4.25Å; F2-F1018 HydrophobicContact CE2-CE1 4.34Å; F2-F1018 HydrophobicContact CZ-CB 4.23Å; F2-F1018 AromaticContact CZ-CD1 3.42Å; F2-F1018 HydrophobicContact CZ-CD1 3.42Å; F2-F1018 VanDerWaalsContact CZ-CD1 3.42Å; F2-F1018 AromaticContact CZ-CE1 3.9Å; F2-F1018 HydrophobicContact CZ-CE1 3.9Å; F2-F1018 AromaticContact CZ-CG 3.87Å; F2-F1018 HydrophobicContact CZ-CG 3.87Å; A1014-F1018 WeakPolarHBondContact O-CB 3.25Å; A1014-F1018 PolarHBondContact O-N 2.91Å; K1015-F1018 PolarHBondContact O-N 2.71Å; L1016-F1018 VanDerWaalsContact C-N 3.32Å; L1016-F1018 PolarHBondContact O-N 3.36Å; F1018-R1021 PolarHBondContact O-N 2.71Å; F1018-S1022 PolarHBondContact O-N 3.45Å; F1018-T1025 HydrophobicContact CE1-CG2 4.43Å
1019	L	92	Very high	91.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-45.9	175.8	-72.6	170.4	0	0	0	111.7	L990 I993 K1015 L1016 I1017 R1021 S1022 W1029	L990-L1019 HydrophobicContact CD2-CD1 3.92Å; I993-L1019 HydrophobicContact CD1-CD1 3.68Å; K1015-L1019 WeakPolarHBondContact O-CG 3.32Å; K1015-L1019 PolarHBondContact O-N 3.43Å; L1016-L1019 PolarHBondContact O-N 3.14Å; I1017-L1019 VanDerWaalsContact C-N 3.33Å; I1017-L1019 PolarHBondContact O-N 3.1Å; L1019-R1021 VanDerWaalsContact C-N 3.29Å; L1019-R1021 PolarHBondContact O-N 2.99Å; L1019-S1022 PolarHBondContact O-N 3.25Å; L1019-W1029 HydrophobicContact CD1-CD2 4.49Å; L1019-W1029 HydrophobicContact CD1-CE3 4.44Å; L1019-W1029 HydrophobicContact CD2-CB 4.45Å; L1019-W1029 HydrophobicContact CD2-CD2 4.2Å; L1019-W1029 HydrophobicContact CD2-CG 3.93Å
1020	F	91.5	Very high	91.7	Very high	24 Å²	24	56.2 Å²	56.2	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-22.4	177.5	-82.4	-75.7	0	0	0	113.9	F608 I612 F981 L990 L1016 I1017	F608-F1020 HydrophobicContact CB-CE2 4.4Å; F608-F1020 HydrophobicContact CD1-CD1 4.49Å; F608-F1020 AromaticContact CD1-CD2 3.98Å; F608-F1020 HydrophobicContact CD1-CD2 3.98Å; F608-F1020 HydrophobicContact CD1-CE1 4.39Å; F608-F1020 AromaticContact CD1-CE2 3.86Å; F608-F1020 HydrophobicContact CD1-CE2 3.86Å; F608-F1020 HydrophobicContact CD1-CG 4.3Å; F608-F1020 HydrophobicContact CD1-CZ 4.08Å; F608-F1020 HydrophobicContact CE1-CB 4.45Å; F608-F1020 HydrophobicContact CE1-CD1 4.33Å; F608-F1020 HydrophobicContact CE1-CD2 4.04Å; F608-F1020 HydrophobicContact CE1-CE2 4.38Å; F608-F1020 HydrophobicContact CE1-CG 4.02Å; F608-F1020 HydrophobicContact CG-CD2 4.4Å; F608-F1020 HydrophobicContact CG-CE2 4.18Å; F608-F1020 HydrophobicContact CZ-CD2 4.5Å; I612-F1020 HydrophobicContact CD1-CE2 4.06Å; I612-F1020 HydrophobicContact CD1-CZ 3.93Å; I612-F1020 HydrophobicContact CG1-CZ 4.1Å; F981-F1020 AromaticContact CD1-CD1 3.79Å; F981-F1020 HydrophobicContact CD1-CD1 3.79Å; F981-F1020 HydrophobicContact CD1-CE1 4.1Å; F981-F1020 AromaticContact CE1-CD1 3.9Å; F981-F1020 HydrophobicContact CE1-CD1 3.9Å; L990-F1020 HydrophobicContact CD1-CZ 4.47Å; L1016-F1020 HydrophobicContact CD1-CD2 4.18Å; L1016-F1020 HydrophobicContact CD1-CE2 3.83Å; L1016-F1020 HydrophobicContact CG-CD2 4.22Å; L1016-F1020 HydrophobicContact CG-CE2 4.21Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-F1020 PolarHBondContact O-N 2.9Å; L1016-F1020 VanDerWaalsContact O-N 3.14Å; I1017-F1020 PolarHBondContact O-N 2.93Å
1021	R	92.3	Very high	91.3	Very high	214 Å²	214	60.2 Å²	60.2	81%	0.808	30%	0.302	S	S	*	.	H	α-helix	trans	-77.9	-22.7	176.6	-170.6	174.8	179.7	177.6	0.6	113.2	I1017 F1018 L1019	I1017-R1021 WeakPolarHBondContact O-CB 3.23Å; I1017-R1021 PolarHBondContact O-N 2.93Å; F1018-R1021 PolarHBondContact O-N 2.71Å; L1019-R1021 VanDerWaalsContact C-N 3.29Å; L1019-R1021 PolarHBondContact O-N 2.99Å
1022	S	91.9	Very high	90.5	Very high	33 Å²	33	61.9 Å²	61.9	23%	0.231	31%	0.308	C	S	.	.			trans	-122.3	100.4	-174.6	165.9	0	0	0	0	111.6	F1018 L1019 A1024 T1025 L1026	F1018-S1022 PolarHBondContact O-N 3.45Å; L1019-S1022 PolarHBondContact O-N 3.25Å; S1022-A1024 PolarHBondContact O-N 3.19Å; S1022-T1025 WeakPolarHBondContact CB-OG1 3.31Å; S1022-T1025 PolarHBondContact O-N 2.9Å; S1022-T1025 PolarHBondContact O-OG1 3.19Å; S1022-T1025 PolarHBondContact OG-OG1 2.62Å; S1022-L1026 PolarHBondContact O-N 3.44Å
1023	P	90.5	Very high	89.2	Confident	63 Å²	63	62 Å²	62	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-32.7	-179.5	-26.7	34.9	0	0	0	114	M980 L1026 I1027	M980-P1023 HydrophobicContact SD-CG 4.24Å; P1023-L1026 PolarHBondContact O-N 2.58Å; P1023-I1027 VanDerWaalsContact O-CG1 3.29Å; P1023-I1027 WeakPolarHBondContact O-CG1 3.29Å; P1023-I1027 PolarHBondContact O-N 3.08Å
1024	A	90.8	Very high	87.5	Confident	71 Å²	71	68.2 Å²	68.2	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-46.5	179.3	0	0	0	0	0	111.8	S1022 L1026 I1027 E1028	S1022-A1024 PolarHBondContact O-N 3.19Å; A1024-L1026 VanDerWaalsContact C-N 3.34Å; A1024-I1027 PolarHBondContact O-N 3.41Å; A1024-E1028 PolarHBondContact O-N 2.93Å
1025	T	90	Very high	85.4	Confident	30 Å²	30	73.5 Å²	73.5	18%	0.184	35%	0.351	C	S	.	.	H	α-helix	trans	-70.7	-32.6	177.3	48.3	0	0	0	0	111.8	F1018 S1022 E1028 W1029	F1018-T1025 HydrophobicContact CE1-CG2 4.43Å; S1022-T1025 WeakPolarHBondContact CB-OG1 3.31Å; S1022-T1025 PolarHBondContact O-N 2.9Å; S1022-T1025 PolarHBondContact O-OG1 3.19Å; S1022-T1025 PolarHBondContact OG-OG1 2.62Å; T1025-E1028 PolarHBondContact O-N 3.31Å; T1025-W1029 WeakPolarHBondContact O-CB 3.34Å; T1025-W1029 PolarHBondContact O-N 3.09Å
1026	L	90.3	Very high	83.3	Confident	4 Å²	4	80.5 Å²	80.5	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-42.9	174.8	-171.6	64.2	0	0	0	111.3	F981 L984 L990 S1022 P1023 A1024 W1029 T1030	F981-L1026 HydrophobicContact CD1-CD2 4.02Å; F981-L1026 HydrophobicContact CE1-CD2 4.29Å; L984-L1026 HydrophobicContact CD2-CD2 4Å; L984-L1026 HydrophobicContact CD2-CG 4.03Å; L990-L1026 HydrophobicContact CD1-CD1 3.84Å; L990-L1026 HydrophobicContact CD2-CD1 4.18Å; S1022-L1026 PolarHBondContact O-N 3.44Å; P1023-L1026 PolarHBondContact O-N 2.58Å; A1024-L1026 VanDerWaalsContact C-N 3.34Å; L1026-W1029 PolarHBondContact O-N 3.02Å; L1026-T1030 HydrophobicContact CD1-CG2 4.18Å; L1026-T1030 WeakPolarHBondContact O-CB 3.13Å; L1026-T1030 VanDerWaalsContact O-CG2 3.24Å; L1026-T1030 WeakPolarHBondContact O-CG2 3.49Å; L1026-T1030 PolarHBondContact O-N 3.35Å; L1026-T1030 PolarHBondContact O-OG1 3.3Å
1027	I	89.8	Confident	80.8	Confident	122 Å²	122	87.9 Å²	87.9	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-63.8	-44.3	176.8	-70.1	165	0	0	0	111.2	P1023 A1024 W1029 T1030 R1031	P1023-I1027 VanDerWaalsContact O-CG1 3.29Å; P1023-I1027 WeakPolarHBondContact O-CG1 3.29Å; P1023-I1027 PolarHBondContact O-N 3.08Å; A1024-I1027 PolarHBondContact O-N 3.41Å; I1027-W1029 VanDerWaalsContact C-N 3.33Å; I1027-W1029 PolarHBondContact O-N 2.95Å; I1027-T1030 PolarHBondContact O-N 3.1Å; I1027-R1031 PolarHBondContact O-N 3.12Å
1028	E	88	Confident	77.9	Confident	142 Å²	142	95.7 Å²	95.7	66%	0.664	45%	0.451	S	S	*	.	H	α-helix	trans	-59.5	-44.4	178.2	-171.5	176.1	-170.1	0	0	111.5	A1024 T1025 T1030	A1024-E1028 PolarHBondContact O-N 2.93Å; T1025-E1028 PolarHBondContact O-N 3.31Å; E1028-T1030 PolarHBondContact O-N 2.86Å
1029	W	87	Confident	77.1	Confident	21 Å²	21	95.7 Å²	95.7	8%	0.08	45%	0.453	C	S	.	.	H	α-helix	trans	-75.4	-17.7	179.7	-88.8	65.7	0	0	0	115.1	P6 H989 I993 L1019 T1025 L1026 I1027	P6-W1029 HydrophobicContact CB-CE3 4.48Å; P6-W1029 HydrophobicContact CB-CZ3 4.42Å; H989-W1029 HydrophobicContact CB-CE3 3.86Å; H989-W1029 HydrophobicContact CB-CZ3 4.13Å; H989-W1029 PolarHBondContact CD2-O 3.01Å; H989-W1029 VanDerWaalsContact CD2-O 3.24Å; I993-W1029 HydrophobicContact CD1-CE3 4.31Å; I993-W1029 HydrophobicContact CD1-CZ3 3.89Å; L1019-W1029 HydrophobicContact CD1-CD2 4.49Å; L1019-W1029 HydrophobicContact CD1-CE3 4.44Å; L1019-W1029 HydrophobicContact CD2-CB 4.45Å; L1019-W1029 HydrophobicContact CD2-CD2 4.2Å; L1019-W1029 HydrophobicContact CD2-CG 3.93Å; T1025-W1029 WeakPolarHBondContact O-CB 3.34Å; T1025-W1029 PolarHBondContact O-N 3.09Å; L1026-W1029 PolarHBondContact O-N 3.02Å; I1027-W1029 VanDerWaalsContact C-N 3.33Å; I1027-W1029 PolarHBondContact O-N 2.95Å
1030	T	89	Confident	76.4	Confident	4 Å²	4	100.7 Å²	100.7	3%	0.025	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	13.3	-174.8	57.4	0	0	0	0	113.4	L984 N986 L990 L1026 I1027 E1028	L984-T1030 HydrophobicContact CB-CG2 4.4Å; L984-T1030 HydrophobicContact CD1-CG2 4.3Å; L984-T1030 HydrophobicContact CD2-CG2 4.1Å; L984-T1030 HydrophobicContact CG-CG2 4.5Å; N986-T1030 WeakPolarHBondContact CB-O 3.33Å; N986-T1030 PolarHBondContact N-O 3.17Å; N986-T1030 WeakPolarHBondContact O-CA 3.46Å; N986-T1030 VanDerWaalsContact O-CB 3.26Å; N986-T1030 WeakPolarHBondContact O-CB 3.39Å; N986-T1030 WeakPolarHBondContact O-CG2 3.19Å; L990-T1030 HydrophobicContact CD1-CG2 3.77Å; L990-T1030 HydrophobicContact CG-CG2 4.18Å; L1026-T1030 HydrophobicContact CD1-CG2 4.18Å; L1026-T1030 WeakPolarHBondContact O-CB 3.13Å; L1026-T1030 VanDerWaalsContact O-CG2 3.24Å; L1026-T1030 WeakPolarHBondContact O-CG2 3.49Å; L1026-T1030 PolarHBondContact O-N 3.35Å; L1026-T1030 PolarHBondContact O-OG1 3.3Å; I1027-T1030 PolarHBondContact O-N 3.1Å; E1028-T1030 PolarHBondContact O-N 2.86Å
1031	R	85.8	Confident	75.5	Confident	176 Å²	176	105 Å²	105	66%	0.664	50%	0.497	S	S	*	.	S	Bend	trans	-69.2	147.9	173.8	-166.9	176.6	-179.5	172.2	2.4	110.9	I1027	I1027-R1031 PolarHBondContact O-N 3.12Å
1032	M	77.9	Confident	74.5	Confident	119 Å²	119	98.6 Å²	98.6	59%	0.586	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-72.8	132.9	170.1	-70.6	-171.3	-118.1	0	0	110.5	P985	P985-M1032 HydrophobicContact CB-CE 4.3Å; P985-M1032 HydrophobicContact CB-CG 4.45Å
1033	S	67	Low	73.4	Confident	24 Å²	24	102.7 Å²	102.7	17%	0.168	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-63.2	139.5	174.4	174.3	0	0	0	0	111.1	K1035	S1033-K1035 PolarHBondContact O-N 3.42Å; S1033-K1035 PolarHBondContact OG-N 3.16Å
1034	K	57.6	Low	72.3	Confident	142 Å²	142	105.3 Å²	105.3	62%	0.617	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-62.8	-27.3	179	-73.3	-178.7	179.3	176.1	0	113	K1036 Q1037	K1034-K1036 PolarHBondContact O-N 2.97Å; K1034-Q1037 PolarHBondContact O-N 3.17Å
1035	K	48.9	Very low	71	Confident	166 Å²	166	107.8 Å²	107.8	72%	0.722	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.4	-176.5	-97.4	-178.1	177.3	174.7	0	115.3	S1033 Q1037	S1033-K1035 PolarHBondContact O-N 3.42Å; S1033-K1035 PolarHBondContact OG-N 3.16Å; K1035-Q1037 VanDerWaalsContact C-N 3.35Å
1036	K	49.4	Very low	69.5	Low	171 Å²	171	113.8 Å²	113.8	74%	0.743	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-86.5	-3.7	173.6	-85.7	-177.2	175.9	176.6	0	113.6	K1034	K1034-K1036 PolarHBondContact O-N 2.97Å
1037	Q	40.6	Very low	67.8	Low	156 Å²	156	122.9 Å²	122.9	73%	0.729	56%	0.559	S	S	*	*			trans	-98.5	-10.5	179.7	-68.7	-176.7	-13.8	0	0	113.7	K1034 K1035	K1034-Q1037 PolarHBondContact O-N 3.17Å; K1035-Q1037 VanDerWaalsContact C-N 3.35Å
1038	E	32.5	Very low	65.8	Low	232 Å²	232	123 Å²	123	100%	1.084	55%	0.553	S	S	*	*			trans	-99.6	0	170.4	-67.7	-179.2	172.4	0	0	109.8

Retrieved 1,038 of 1,038 residues in 849.9 ms (Link to these results)

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