A0A077YXR5_TRITR Loading...

Pacs-1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 877 aa.

						>A0A077YXR5_TRITR|A0A077YXR5
MEQSKIVPMRLFATWEVDRACSNCVPRLCCLSFNRLTIFRSLEQGATNLVIAVKLQVLLQRSISLKKNLTIPLQGFKRTLRSNDMPVVPVNGIVDVDLDVEFTLQAMDASFSNVYPHFVKKQNNRLLVMLQRRKKYKNRPMLGYKTLAVGAINLTDELRRFLRFYKALDFVNSLCTAMMKSIQQSAEYSDDDDEDWTGNEEGGASDSEPIVDEQPIGVMTPSNSWLKSACSGQQAQHSPVRFALHQKNIKQKFISLLKKFRVPEEESTEGGFGKKPAQQELEALFEELDSLTDSGGEQENDTASLRSTPKPSLRTYFSSREKLPIVQDEGSDESKDSAGYTASCDIDSPRNKDYKTIDKDTLPECLDRSVDADRTVDARFSSVPSKEWSADPASIKGQRPLVAHQNSAPIFESRKLVKSSAMATTKDLPSASTASVPCIPKSATTALQLLETCKYCCLVTETLKETKSVFFALVGKIQRFCNQNSASPSPIQLCLLGGDEFFSNCLRSYTEVFGQKPNDWLGYVRFYPVACCSGIWLRYLSSMDRTYFNLFGQSAWLDLWDKAILSESEGKAVLDGIHRYLDNAKLVLPMVISEVMIHLKSENSNNELTQQFVPFVVSVKLAPVENAPEATVSSSDIGNVTVTSPTAAQSTNFNLSTSAVNCGRTDFSLQSSSPPGSPHSNELTTSVAGTDAKELQIEYWTSSNLPFPSTVSSATPSVPLRQESMSSKREIGQSGNQAKCTMKTAFRSLSVTKSAPNPVVLLNESSTLPLSLLAFHFVKERKKDKGKFTLFTRHVADLLQKLGMKNKDKLENEPRTHTVDGISRFICSTRQNSRINLRIDGVEWKNVKFFQISALWQTHVKFFPVGVFQLDTVREST
					

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(Predicted Aligned Error values between residue pairs)

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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	34.3	Very low	65.9	Low	201 Å²	201	106.3 Å²	106.3	99%	0.99	53%	0.525	S	S	*	.				0	138	0	-68.6	173.3	-177.5	0	0	107.1	Q3 V90	M1-Q3 PolarHBondContact O-N 3.43Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; M1-V90 HydrophobicContact CE-CG1 4.05Å; M1-V90 HydrophobicContact CE-CG2 4.28Å; M1-V90 HydrophobicContact SD-CG1 4.28Å; M1-V90 HydrophobicContact SD-CG2 3.64Å
2	E	35	Very low	67.5	Low	166 Å²	166	107.3 Å²	107.3	78%	0.776	53%	0.525	S	S	*	.			trans	-65.8	112.9	171	-70.4	-178.4	115.7	0	0	109.1	S4	E2-S4 PolarHBondContact O-N 3.29Å; E2-S4 VanDerWaalsContact O-N 3.11Å
3	Q	48.6	Very low	68.3	Low	160 Å²	160	100.2 Å²	100.2	75%	0.748	50%	0.495	S	S	*	.			trans	-69.4	102.3	155.9	-79.1	-179.7	-33.3	0	0	106.2	M1 K5	M1-Q3 PolarHBondContact O-N 3.43Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-K5 PolarHBondContact O-N 3.37Å
4	S	53.2	Low	68.5	Low	52 Å²	52	95.9 Å²	95.9	36%	0.364	48%	0.476	S	S	.	.			trans	-59	99.5	173.6	52.6	0	0	0	0	108.8	E2 I6	E2-S4 PolarHBondContact O-N 3.29Å; E2-S4 VanDerWaalsContact O-N 3.11Å; S4-I6 PolarHBondContact O-N 3.35Å
5	K	59.6	Low	68.4	Low	195 Å²	195	89.7 Å²	89.7	85%	0.848	45%	0.446	S	S	*	.			trans	-59.1	104.2	-172.8	-174.2	179.5	-178.9	-178.9	0	110	Q3 V7	Q3-K5 PolarHBondContact O-N 3.37Å; K5-V7 PolarHBondContact O-N 3.02Å
6	I	68.4	Low	67.8	Low	22 Å²	22	86.3 Å²	86.3	11%	0.113	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-59.9	125.3	177.4	-57.9	-83.8	0	0	0	108	S4 M9 M85 V96 D97 L98	S4-I6 PolarHBondContact O-N 3.35Å; I6-M9 HydrophobicContact CG2-CE 4.1Å; I6-M85 HydrophobicContact CD1-CB 3.85Å; I6-M85 HydrophobicContact CD1-CG 3.95Å; I6-V96 HydrophobicContact CD1-CG1 3.96Å; I6-V96 HydrophobicContact CG1-CG1 3.91Å; I6-D97 WeakPolarHBondContact CG1-O 3.5Å; I6-L98 HydrophobicContact CD1-CD2 4.3Å; I6-L98 HydrophobicContact CG1-CD2 4.29Å
7	V	75.9	Confident	66.9	Low	104 Å²	104	85.8 Å²	85.8	63%	0.63	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-67.2	130.1	175.2	179	0	0	0	0	108.9	K5 M9	K5-V7 PolarHBondContact O-N 3.02Å; V7-M9 PolarHBondContact O-N 2.91Å
8	P	83.1	Confident	66	Low	81 Å²	81	89.1 Å²	89.1	53%	0.526	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-53.9	128.7	172.8	-30.3	38	0	0	0	112.9	D99	P8-D99 CarbonylContact C-O 3.59Å; P8-D99 WeakPolarHBondContact CA-O 3.45Å; P8-D99 HydrophobicContact CB-CB 4.25Å; P8-D99 WeakPolarHBondContact CB-OD2 3.41Å; P8-D99 HydrophobicContact CG-CB 4.28Å
9	M	87.7	Confident	65.3	Low	16 Å²	16	96.6 Å²	96.6	8%	0.079	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120	-178.8	-73.8	-179.8	-99.6	0	0	109.6	I6 V7 N83 M85 D99 V100 E101	I6-M9 HydrophobicContact CG2-CE 4.1Å; V7-M9 PolarHBondContact O-N 2.91Å; M9-N83 HydrophobicContact CE-CB 4.15Å; M9-N83 HydrophobicContact SD-CB 3.58Å; M9-N83 VanDerWaalsContact SD-CB 3.58Å; M9-N83 PolarHBondContact SD-N 3.45Å; M9-M85 HydrophobicContact CE-CG 4.11Å; M9-D99 PolarHBondContact N-O 3.41Å; M9-V100 HydrophobicContact CB-CG1 4.17Å; M9-V100 HydrophobicContact CB-CG2 4.44Å; M9-V100 HydrophobicContact CE-CG2 3.89Å; M9-V100 CarbonylContact O-C 3.54Å; M9-V100 WeakPolarHBondContact O-CA 3.33Å; M9-E101 PolarHBondContact O-N 2.92Å
10	R	89.9	Confident	64.7	Low	133 Å²	133	93.6 Å²	93.6	50%	0.502	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.3	169.6	-51.7	-62.8	171.2	-170.3	-20.3	107.5	D99 E101	R10-D99 IonicContact CZ-OD1 2.62Å; R10-D99 IonicContact CZ-OD2 3.73Å; R10-D99 IonicContact NH1-OD1 2.68Å; R10-D99 IonicContact NH2-OD1 3.66Å; R10-D99 PolarHBondContact NH2-OD1 2.92Å; R10-D99 IonicContact NH2-OD2 4Å; R10-D99 PolarHBondContact NH2-OD2 3.1Å; R10-E101 WeakPolarHBondContact CD-OE2 3.33Å; R10-E101 IonicContact CZ-OE2 2.86Å; R10-E101 IonicContact NE-OE2 3.39Å; R10-E101 IonicContact NH1-OE2 2.85Å; R10-E101 PolarHBondContact NH1-OE2 2.92Å
11	L	88.9	Confident	64.2	Low	39 Å²	39	92.5 Å²	92.5	20%	0.204	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.7	-174.3	-63	164.6	0	0	0	108.8	L80 R81 V100 E101 F102 T103	L11-L80 HydrophobicContact CB-CD1 4.34Å; L11-R81 WeakPolarHBondContact CD1-O 3.36Å; L11-V100 HydrophobicContact CD1-CG1 4.16Å; L11-E101 PolarHBondContact N-O 3.15Å; L11-F102 HydrophobicContact CB-CD1 4.02Å; L11-F102 HydrophobicContact CB-CE1 4.42Å; L11-F102 HydrophobicContact CD1-CD1 3.77Å; L11-F102 HydrophobicContact CD1-CE1 3.32Å; L11-F102 HydrophobicContact CD1-CE2 4.37Å; L11-F102 HydrophobicContact CD1-CG 4.46Å; L11-F102 HydrophobicContact CD1-CZ 3.66Å; L11-F102 CarbonylContact O-C 3.54Å; L11-F102 WeakPolarHBondContact O-CA 3.44Å; L11-T103 PolarHBondContact O-N 2.83Å
12	F	85.6	Confident	65.5	Low	118 Å²	118	88.6 Å²	88.6	52%	0.518	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.9	-178	-176.6	-98	0	0	0	111.3	T14 L28 T103 Q105	F12-T14 VanDerWaalsContact CE1-OG1 3.27Å; F12-T14 WeakPolarHBondContact CE1-OG1 3.43Å; F12-L28 HydrophobicContact CE2-CD2 4.37Å; F12-T103 WeakPolarHBondContact CA-O 3.48Å; F12-T103 HydrophobicContact CD2-CG2 3.75Å; F12-T103 HydrophobicContact CE2-CG2 3.92Å; F12-Q105 HydrophobicContact CE2-CB 4.41Å; F12-Q105 HydrophobicContact CZ-CB 4.14Å
13	A	77.6	Confident	66.7	Low	16 Å²	16	86.2 Å²	86.2	13%	0.132	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.4	164.4	0	0	0	0	0	111.9	L80 T103 L104 Q105	A13-L80 HydrophobicContact CB-CD1 3.73Å; A13-L80 HydrophobicContact CB-CD2 3.98Å; A13-L80 HydrophobicContact CB-CG 3.96Å; A13-T103 PolarHBondContact N-O 3.34Å; A13-L104 HydrophobicContact CB-CD2 4.26Å; A13-L104 WeakPolarHBondContact O-CA 3.28Å; A13-Q105 PolarHBondContact O-N 3.45Å
14	T	71.8	Confident	67	Low	39 Å²	39	79.5 Å²	79.5	24%	0.239	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.9	163.3	-41.4	0	0	0	0	109.7	F12 V17 Q105	F12-T14 VanDerWaalsContact CE1-OG1 3.27Å; F12-T14 WeakPolarHBondContact CE1-OG1 3.43Å; T14-V17 HydrophobicContact CG2-CG2 3.23Å; T14-Q105 CarbonylContact C-O 3.51Å; T14-Q105 WeakPolarHBondContact CA-O 3.36Å; T14-Q105 HydrophobicContact CG2-CB 3.98Å; T14-Q105 HydrophobicContact CG2-CG 3.99Å; T14-Q105 PolarHBondContact OG1-OE1 3.35Å
15	W	65.6	Low	67.3	Low	4 Å²	4	80.8 Å²	80.8	2%	0.015	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.8	170.9	-70.8	-38.9	0	0	0	108.4	L55 L104 Q105 M107 L126	W15-L55 HydrophobicContact CB-CD2 4.37Å; W15-L55 HydrophobicContact CD2-CB 3.97Å; W15-L55 HydrophobicContact CD2-CD2 4Å; W15-L55 HydrophobicContact CE3-CB 3.69Å; W15-L55 HydrophobicContact CE3-CD1 4.07Å; W15-L55 HydrophobicContact CE3-CD2 3.59Å; W15-L55 HydrophobicContact CE3-CG 3.98Å; W15-L55 HydrophobicContact CG-CD2 4.38Å; W15-L55 HydrophobicContact CH2-CB 3.61Å; W15-L55 VanDerWaalsContact CH2-N 3.3Å; W15-L55 HydrophobicContact CZ2-CB 3.92Å; W15-L55 HydrophobicContact CZ3-CB 3.48Å; W15-L55 VanDerWaalsContact CZ3-CB 3.48Å; W15-L55 HydrophobicContact CZ3-CD1 3.78Å; W15-L55 HydrophobicContact CZ3-CD2 4.11Å; W15-L55 HydrophobicContact CZ3-CG 3.97Å; W15-L104 HydrophobicContact CE3-CB 4.13Å; W15-L104 HydrophobicContact CE3-CD2 3.97Å; W15-L104 HydrophobicContact CE3-CG 4.45Å; W15-L104 HydrophobicContact CH2-CD1 3.93Å; W15-L104 HydrophobicContact CH2-CD2 3.4Å; W15-L104 HydrophobicContact CH2-CG 4.16Å; W15-L104 HydrophobicContact CZ2-CD2 3.97Å; W15-L104 HydrophobicContact CZ3-CB 3.89Å; W15-L104 HydrophobicContact CZ3-CD1 3.61Å; W15-L104 HydrophobicContact CZ3-CD2 3.39Å; W15-L104 HydrophobicContact CZ3-CG 3.79Å; W15-Q105 PolarHBondContact N-O 3.46Å; W15-M107 PolarHBondContact O-N 3.11Å; W15-L126 HydrophobicContact CH2-CD1 4.01Å; W15-L126 HydrophobicContact CZ3-CD1 4Å
16	E	59.1	Low	67.5	Low	35 Å²	35	74.3 Å²	74.3	16%	0.164	40%	0.403	C	S	.	.	S	Bend	trans	64.8	73.4	-178.5	-58.5	-174.2	-165.6	0	0	115.9	F76 M107	E16-F76 HydrophobicContact CG-CD2 4.28Å; E16-F76 HydrophobicContact CG-CE1 4.19Å; E16-F76 HydrophobicContact CG-CE2 3.58Å; E16-F76 HydrophobicContact CG-CZ 3.53Å; E16-F76 WeakPolarHBondContact OE1-CD2 3.37Å; E16-F76 WeakPolarHBondContact OE1-CE2 3.19Å; E16-M107 HydrophobicContact CB-CB 4.48Å; E16-M107 WeakPolarHBondContact O-CB 3.44Å; E16-M107 WeakPolarHBondContact O-CG 3.32Å
17	V	52.7	Low	67.4	Low	77 Å²	77	79.6 Å²	79.6	47%	0.467	42%	0.422	S	S	.	.			trans	-98.1	-52.9	157.9	-170.1	0	0	0	0	110.4	T14 R19 A20	T14-V17 HydrophobicContact CG2-CG2 3.23Å; V17-R19 PolarHBondContact O-N 3.25Å; V17-A20 PolarHBondContact O-N 3.33Å
18	D	51.6	Low	67.1	Low	146 Å²	146	80.5 Å²	80.5	78%	0.781	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.1	-162.4	-43	-35	0	0	0	116.4
19	R	52.6	Low	66.6	Low	231 Å²	231	78.3 Å²	78.3	87%	0.872	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.9	11.7	179.9	-63.8	-170.6	-179.6	179.1	0.4	114.4	V17	V17-R19 PolarHBondContact O-N 3.25Å
20	A	52.7	Low	66.1	Low	36 Å²	36	80.9 Å²	80.9	30%	0.298	43%	0.427	S	S	.	.			trans	-74.8	145.5	179.5	0	0	0	0	0	111.4	V17 C24 M107	V17-A20 PolarHBondContact O-N 3.33Å; A20-C24 HydrophobicContact CB-CB 3.92Å; A20-M107 HydrophobicContact CB-CB 4.35Å; A20-M107 HydrophobicContact CB-CG 4.44Å; A20-M107 HydrophobicContact CB-SD 3.36Å; A20-M107 WeakPolarHBondContact CB-SD 3.28Å
21	C	55.3	Low	65.7	Low	72 Å²	72	75.2 Å²	75.2	49%	0.486	41%	0.407	S	S	.	.			trans	-70.6	155.9	170.4	-68.4	0	0	0	0	110.2	N23 C24	C21-N23 PolarHBondContact O-N 3.49Å; C21-C24 PolarHBondContact N-SG 3.29Å; C21-C24 VanDerWaalsContact O-CB 3.28Å; C21-C24 WeakPolarHBondContact O-CB 3.5Å; C21-C24 PolarHBondContact O-N 2.9Å
22	S	61.1	Low	65.2	Low	119 Å²	119	75.9 Å²	75.9	83%	0.832	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-22	175.9	57.2	0	0	0	0	114.8
23	N	59.1	Low	65.1	Low	116 Å²	116	71.1 Å²	71.1	62%	0.62	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.1	-177	-56.4	-6.3	0	0	0	112.9	C21 V25	C21-N23 PolarHBondContact O-N 3.49Å; N23-V25 PolarHBondContact O-N 3.44Å
24	C	55.8	Low	65.1	Low	18 Å²	18	71.1 Å²	71.1	12%	0.122	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-71.8	120.8	179.7	-76.8	0	0	0	0	111	A20 C21 P26 M107	A20-C24 HydrophobicContact CB-CB 3.92Å; C21-C24 PolarHBondContact N-SG 3.29Å; C21-C24 VanDerWaalsContact O-CB 3.28Å; C21-C24 WeakPolarHBondContact O-CB 3.5Å; C21-C24 PolarHBondContact O-N 2.9Å; C24-P26 WeakPolarHBondContact O-CD 3.33Å; C24-M107 HydrophobicContact CB-CB 4.24Å; C24-M107 HydrophobicContact CB-SD 3.93Å
25	V	59.4	Low	65.4	Low	79 Å²	79	72.7 Å²	72.7	48%	0.479	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-85.6	117.8	175.6	-179.6	0	0	0	0	109	N23 R27 D108	N23-V25 PolarHBondContact O-N 3.44Å; V25-R27 PolarHBondContact O-N 3.34Å; V25-D108 PolarHBondContact O-N 2.87Å
26	P	63.7	Low	66.2	Low	60 Å²	60	73.8 Å²	73.8	39%	0.39	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.6	173.5	25.8	-32.5	0	0	0	110.7	C24 Q105 M107	C24-P26 WeakPolarHBondContact O-CD 3.33Å; P26-Q105 HydrophobicContact CB-CG 4.14Å; P26-M107 HydrophobicContact CB-CE 4.24Å; P26-M107 HydrophobicContact CB-CG 4.21Å
27	R	65.2	Low	67.2	Low	133 Å²	133	74 Å²	74	50%	0.502	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.7	174.5	-57.6	-59.5	-170.7	168.2	0.8	109.2	V25 Q105 A106 D108	V25-R27 PolarHBondContact O-N 3.34Å; R27-Q105 CarbonylContact O-C 3.56Å; R27-Q105 WeakPolarHBondContact O-CA 3.39Å; R27-A106 PolarHBondContact N-O 3.23Å; R27-A106 PolarHBondContact O-N 3.35Å; R27-D108 HydrophobicContact CG-CB 4.43Å
28	L	70.9	Confident	68.5	Low	122 Å²	122	71 Å²	71	64%	0.639	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	125	173.1	-70.5	164.6	0	0	0	109.5	F12 T103 Q105	F12-L28 HydrophobicContact CE2-CD2 4.37Å; L28-T103 HydrophobicContact CD2-CG2 3.96Å; L28-Q105 HydrophobicContact CD2-CB 3.73Å; L28-Q105 HydrophobicContact CD2-CG 4.09Å
29	C	72.4	Confident	69.7	Low	35 Å²	35	70 Å²	70	24%	0.236	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.8	168.3	175	0	0	0	0	107.5	L104	C29-L104 HydrophobicContact CB-CB 4.22Å; C29-L104 PolarHBondContact N-O 3.11Å; C29-L104 WeakPolarHBondContact O-CB 3.28Å; C29-L104 PolarHBondContact O-N 3.11Å
30	C	76.2	Confident	70.6	Confident	70 Å²	70	64.1 Å²	64.1	47%	0.473	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.7	176.9	174.4	0	0	0	0	108.6	E101 F102	C30-E101 VanDerWaalsContact SG-CD 3.5Å; C30-E101 VanDerWaalsContact SG-CG 3.55Å; C30-E101 PolarHBondContact SG-OE1 2.85Å; C30-F102 WeakPolarHBondContact CA-O 3.27Å
31	L	81.3	Confident	71.4	Confident	15 Å²	15	67.4 Å²	67.4	8%	0.079	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.7	174.1	-67.7	177.6	0	0	0	109.3	F33 V53 E101 F102 L126 V128 I152	L31-F33 HydrophobicContact CB-CE2 4.05Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CE2 4.49Å; L31-F33 HydrophobicContact CD1-CZ 4.45Å; L31-V53 HydrophobicContact CD1-CG1 3.95Å; L31-V53 HydrophobicContact CD1-CG2 4.27Å; L31-E101 CarbonylContact O-C 3.6Å; L31-E101 VanDerWaalsContact O-CA 3.28Å; L31-E101 WeakPolarHBondContact O-CA 3.46Å; L31-F102 HydrophobicContact CB-CB 4.39Å; L31-F102 PolarHBondContact N-O 3.17Å; L31-F102 PolarHBondContact O-N 3.03Å; L31-L126 HydrophobicContact CD1-CD2 3.63Å; L31-L126 HydrophobicContact CD1-CG 4.27Å; L31-L126 HydrophobicContact CG-CD2 4.27Å; L31-V128 HydrophobicContact CD1-CG2 4.3Å; L31-I152 HydrophobicContact CD1-CD1 4.41Å; L31-I152 HydrophobicContact CD2-CD1 4.07Å
32	S	78.9	Confident	72.1	Confident	53 Å²	53	65.6 Å²	65.6	37%	0.371	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122	173.2	-66.6	0	0	0	0	110.9
33	F	83.2	Confident	72.4	Confident	17 Å²	17	64.5 Å²	64.5	8%	0.075	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.4	170.7	-61.7	-83.6	0	0	0	108.8	L31 I51 V53 L98 V100 F102 V128 K464	L31-F33 HydrophobicContact CB-CE2 4.05Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CE2 4.49Å; L31-F33 HydrophobicContact CD1-CZ 4.45Å; F33-I51 HydrophobicContact CB-CD1 4.28Å; F33-I51 HydrophobicContact CD2-CG2 4.17Å; F33-I51 HydrophobicContact CE2-CG2 4.1Å; F33-I51 HydrophobicContact CG-CD1 4.32Å; F33-I51 HydrophobicContact CG-CG2 4.49Å; F33-I51 HydrophobicContact CZ-CG2 4.36Å; F33-V53 HydrophobicContact CE2-CG2 4.17Å; F33-V53 HydrophobicContact CZ-CG2 4.5Å; F33-L98 HydrophobicContact CB-CD1 4.02Å; F33-L98 CarbonylContact O-C 3.5Å; F33-L98 WeakPolarHBondContact O-CB 3.38Å; F33-V100 HydrophobicContact CB-CB 4.45Å; F33-V100 PolarHBondContact N-O 3.17Å; F33-V100 PolarHBondContact O-N 2.63Å; F33-F102 AromaticContact CD2-CD2 3.77Å; F33-F102 HydrophobicContact CD2-CD2 3.77Å; F33-F102 AromaticContact CD2-CE2 3.71Å; F33-F102 HydrophobicContact CD2-CE2 3.71Å; F33-F102 AromaticContact CE2-CD2 3.57Å; F33-F102 HydrophobicContact CE2-CD2 3.57Å; F33-F102 AromaticContact CE2-CE2 3.69Å; F33-F102 HydrophobicContact CE2-CE2 3.69Å; F33-V128 HydrophobicContact CE1-CG1 3.69Å; F33-V128 HydrophobicContact CZ-CB 4.36Å; F33-V128 HydrophobicContact CZ-CG1 3.48Å; F33-V128 VanDerWaalsContact CZ-CG1 3.48Å; F33-V128 HydrophobicContact CZ-CG2 3.89Å; F33-K464 PolarHBondContact O-NZ 3.49Å; F33-K464 VanDerWaalsContact O-NZ 3.16Å
34	N	78.1	Confident	72.5	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-24.5	-169.6	-65.6	-11.8	0	0	0	113.6	L98 K464 E465 S468	N34-L98 CarbonylContact C-O 3.59Å; N34-L98 WeakPolarHBondContact CA-O 3.49Å; N34-L98 PolarHBondContact O-N 2.81Å; N34-K464 HydrophobicContact CB-CB 4.4Å; N34-K464 HydrophobicContact CB-CD 3.86Å; N34-K464 HydrophobicContact CB-CG 4.17Å; N34-K464 PolarHBondContact ND2-O 2.92Å; N34-K464 WeakPolarHBondContact OD1-CD 3.45Å; N34-K464 VanDerWaalsContact OD1-CE 3.24Å; N34-K464 WeakPolarHBondContact OD1-CE 3.34Å; N34-K464 PolarHBondContact OD1-NZ 3.01Å; N34-E465 HydrophobicContact CB-CG 4.39Å; N34-S468 PolarHBondContact ND2-OG 2.91Å
35	R	79.1	Confident	72.9	Confident	72 Å²	72	70.8 Å²	70.8	27%	0.272	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	148.1	179.3	-171.9	168.9	168.4	-158.1	5.3	109	D95 V96 E461	R35-D95 IonicContact CZ-OD1 3.55Å; R35-D95 IonicContact CZ-OD2 3.22Å; R35-D95 IonicContact NE-OD1 2.68Å; R35-D95 PolarHBondContact NE-OD1 2.78Å; R35-D95 IonicContact NE-OD2 2.88Å; R35-D95 PolarHBondContact NE-OD2 3.18Å; R35-D95 IonicContact NH2-OD1 3.67Å; R35-D95 PolarHBondContact NH2-OD1 3.07Å; R35-D95 IonicContact NH2-OD2 2.71Å; R35-D95 PolarHBondContact NH2-OD2 3.25Å; R35-V96 CarbonylContact C-O 3.6Å; R35-V96 WeakPolarHBondContact CA-O 3.17Å; R35-E461 IonicContact CZ-OE2 3.22Å; R35-E461 IonicContact NH1-OE2 3.34Å; R35-E461 PolarHBondContact NH1-OE2 3.05Å; R35-E461 IonicContact NH2-OE2 3.95Å
36	L	82.3	Confident	73.4	Confident	26 Å²	26	67.4 Å²	67.4	14%	0.136	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.5	172.5	169.2	63.9	0	0	0	108.5	I38 L49 M85 D95 V96 L98 L130	L36-I38 HydrophobicContact CD1-CD1 4.33Å; L36-I38 HydrophobicContact CD1-CG1 3.93Å; L36-I38 HydrophobicContact CD2-CD1 4.38Å; L36-I38 HydrophobicContact CG-CD1 4.37Å; L36-I38 HydrophobicContact CG-CG1 4.14Å; L36-L49 HydrophobicContact CD2-CD1 4.1Å; L36-M85 HydrophobicContact CD2-CE 3.99Å; L36-D95 WeakPolarHBondContact O-CA 3.41Å; L36-V96 PolarHBondContact N-O 3.48Å; L36-V96 PolarHBondContact O-N 2.91Å; L36-L98 HydrophobicContact CB-CD1 3.72Å; L36-L98 HydrophobicContact CB-CD2 4.31Å; L36-L98 HydrophobicContact CB-CG 4.11Å; L36-L130 HydrophobicContact CD2-CD1 3.96Å
37	T	79.6	Confident	74	Confident	39 Å²	39	68.7 Å²	68.7	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	174.6	-41	0	0	0	0	109.3	F39 I93 V94 D95	T37-F39 HydrophobicContact CG2-CD1 4.3Å; T37-F39 HydrophobicContact CG2-CE1 3.67Å; T37-F39 HydrophobicContact CG2-CE2 4.02Å; T37-F39 HydrophobicContact CG2-CZ 3.51Å; T37-I93 HydrophobicContact CG2-CG2 4.33Å; T37-V94 CarbonylContact C-O 3.57Å; T37-V94 VanDerWaalsContact CA-O 3.23Å; T37-V94 WeakPolarHBondContact CA-O 3.46Å; T37-D95 HydrophobicContact CG2-CB 4.13Å; T37-D95 PolarHBondContact OG1-OD1 3.02Å
38	I	80.5	Confident	74.9	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.072	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	109	179.2	-47.1	178	0	0	0	107.8	L36 R40 L42 L49 I93 V94 L130	L36-I38 HydrophobicContact CD1-CD1 4.33Å; L36-I38 HydrophobicContact CD1-CG1 3.93Å; L36-I38 HydrophobicContact CD2-CD1 4.38Å; L36-I38 HydrophobicContact CG-CD1 4.37Å; L36-I38 HydrophobicContact CG-CG1 4.14Å; I38-R40 VanDerWaalsContact C-N 3.34Å; I38-L42 HydrophobicContact CD1-CD1 4.43Å; I38-L49 HydrophobicContact CD1-CD1 3.68Å; I38-I93 WeakPolarHBondContact O-CA 3.06Å; I38-V94 HydrophobicContact CB-CB 4.01Å; I38-V94 HydrophobicContact CD1-CB 4.16Å; I38-V94 HydrophobicContact CD1-CG1 4.4Å; I38-V94 HydrophobicContact CD1-CG2 4.39Å; I38-V94 HydrophobicContact CG1-CB 4.1Å; I38-V94 PolarHBondContact N-O 2.89Å; I38-V94 PolarHBondContact O-N 3.14Å; I38-V94 VanDerWaalsContact O-N 3.08Å; I38-L130 HydrophobicContact CD1-CD2 3.93Å
39	F	76.1	Confident	75.8	Confident	125 Å²	125	59.6 Å²	59.6	55%	0.548	33%	0.33	S	S	.	.			trans	-84.9	-4.3	-178	-57.2	-77.4	0	0	0	114.3	T37 M179	T37-F39 HydrophobicContact CG2-CD1 4.3Å; T37-F39 HydrophobicContact CG2-CE1 3.67Å; T37-F39 HydrophobicContact CG2-CE2 4.02Å; T37-F39 HydrophobicContact CG2-CZ 3.51Å; F39-M179 HydrophobicContact CD2-SD 4.19Å; F39-M179 HydrophobicContact CE2-SD 3.76Å
40	R	72.7	Confident	76.6	Confident	108 Å²	108	58 Å²	58	41%	0.408	32%	0.319	S	S	.	.	S	Bend	trans	-104.5	141	175.6	-71.6	-170.9	172.9	-171.6	-2.7	109.9	I38 L42 I182	I38-R40 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 2.93Å; R40-I182 HydrophobicContact CG-CG2 4.1Å; R40-I182 PolarHBondContact NE-O 2.95Å; R40-I182 PolarHBondContact NH1-O 3.29Å; R40-I182 PolarHBondContact NH2-O 2.92Å
41	S	69.5	Low	77.3	Confident	106 Å²	106	55 Å²	55	74%	0.741	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-56.3	128.5	171.9	-169	0	0	0	0	110.3
42	L	69	Low	77.8	Confident	34 Å²	34	54.3 Å²	54.3	18%	0.178	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-81.6	147.3	-178.4	-158.5	66.9	0	0	0	109.9	I38 R40 Q44 A46 L49 V87 L147	I38-L42 HydrophobicContact CD1-CD1 4.43Å; R40-L42 PolarHBondContact O-N 2.93Å; L42-Q44 PolarHBondContact O-N 3Å; L42-A46 HydrophobicContact CD2-CB 3.54Å; L42-A46 WeakPolarHBondContact CD2-O 3.31Å; L42-A46 HydrophobicContact CG-CB 3.68Å; L42-L49 HydrophobicContact CD2-CD1 4.37Å; L42-L49 HydrophobicContact CD2-CD2 4.32Å; L42-V87 HydrophobicContact CD2-CG2 4.23Å; L42-L147 HydrophobicContact CD1-CD1 4.11Å
43	E	67.9	Low	78.2	Confident	96 Å²	96	51.8 Å²	51.8	45%	0.449	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-51.8	135.3	175.4	-70.9	180	176.8	0	0	111.4	G45 A46 R132 K145	E43-G45 PolarHBondContact O-N 3.48Å; E43-A46 VanDerWaalsContact O-CB 3.28Å; E43-A46 WeakPolarHBondContact O-CB 3.33Å; E43-A46 PolarHBondContact O-N 3.43Å; E43-A46 VanDerWaalsContact O-N 3.08Å; E43-R132 IonicContact OE2-CZ 3.65Å; E43-R132 IonicContact OE2-NH1 2.58Å; E43-R132 PolarHBondContact OE2-NH1 2.82Å; E43-R132 IonicContact OE2-NH2 3.11Å; E43-K145 IonicContact OE1-NZ 3.54Å; E43-K145 PolarHBondContact OE1-NZ 3.34Å; E43-K145 IonicContact OE2-NZ 3.7Å; E43-K145 PolarHBondContact OE2-NZ 3.21Å
44	Q	61.1	Low	78.3	Confident	199 Å²	199	53.5 Å²	53.5	93%	0.93	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	129.9	179.5	-66.8	-178.1	-0.9	0	0	111.3	L42	L42-Q44 PolarHBondContact O-N 3Å
45	G	64.8	Low	78.2	Confident	66 Å²	66	53.1 Å²	53.1	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	1.5	-179.1	0	0	0	0	0	116.1	E43 T47	E43-G45 PolarHBondContact O-N 3.48Å; G45-T47 VanDerWaalsContact C-N 3.3Å; G45-T47 PolarHBondContact O-N 3.43Å
46	A	68.6	Low	77.7	Confident	8 Å²	8	53.8 Å²	53.8	7%	0.066	29%	0.288	C	S	.	.			trans	-80.4	70.1	174.2	0	0	0	0	0	113	L42 E43	L42-A46 HydrophobicContact CD2-CB 3.54Å; L42-A46 WeakPolarHBondContact CD2-O 3.31Å; L42-A46 HydrophobicContact CG-CB 3.68Å; E43-A46 VanDerWaalsContact O-CB 3.28Å; E43-A46 WeakPolarHBondContact O-CB 3.33Å; E43-A46 PolarHBondContact O-N 3.43Å; E43-A46 VanDerWaalsContact O-N 3.08Å
47	T	75.8	Confident	76.6	Confident	88 Å²	88	53.6 Å²	53.6	54%	0.54	29%	0.288	S	S	.	.			trans	-81.1	-18.5	-180	52.8	0	0	0	0	114.6	G45 P86 V87	G45-T47 VanDerWaalsContact C-N 3.3Å; G45-T47 PolarHBondContact O-N 3.43Å; T47-P86 CarbonylContact O-C 3.56Å; T47-P86 WeakPolarHBondContact O-CA 3.46Å; T47-V87 PolarHBondContact O-N 3.05Å
48	N	85.6	Confident	75.2	Confident	64 Å²	64	56 Å²	56	34%	0.342	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.8	-176.4	-72.2	-50.4	0	0	0	111.1	D84 M85 P86	N48-D84 HydrophobicContact CB-CB 4.18Å; N48-M85 WeakPolarHBondContact CA-O 3.45Å; N48-P86 WeakPolarHBondContact OD1-CA 3.34Å
49	L	88.5	Confident	73.7	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	178.8	-63.2	-177.8	0	0	0	111.3	L36 I38 L42 M85 V87 L130 Q131 L147	L36-L49 HydrophobicContact CD2-CD1 4.1Å; I38-L49 HydrophobicContact CD1-CD1 3.68Å; L42-L49 HydrophobicContact CD2-CD1 4.37Å; L42-L49 HydrophobicContact CD2-CD2 4.32Å; L49-M85 PolarHBondContact N-O 3.48Å; L49-M85 WeakPolarHBondContact O-CB 3.41Å; L49-M85 PolarHBondContact O-N 2.89Å; L49-V87 HydrophobicContact CD1-CB 4.47Å; L49-V87 HydrophobicContact CD1-CG1 3.95Å; L49-V87 HydrophobicContact CD1-CG2 3.79Å; L49-V87 HydrophobicContact CG-CG1 4.28Å; L49-V87 HydrophobicContact CG-CG2 3.81Å; L49-L130 HydrophobicContact CB-CD1 4.13Å; L49-L130 HydrophobicContact CD1-CD1 4.19Å; L49-L130 HydrophobicContact CD1-CD2 4.25Å; L49-Q131 CarbonylContact C-O 3.54Å; L49-L147 HydrophobicContact CD2-CD1 3.48Å; L49-L147 VanDerWaalsContact CD2-CD1 3.48Å
50	V	90.1	Very high	72.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.1	178.1	171.1	0	0	0	0	108.6	R81 D84 Q131 Y144	V50-R81 HydrophobicContact CG1-CB 3.84Å; V50-R81 HydrophobicContact CG1-CG 4.25Å; V50-D84 WeakPolarHBondContact CG2-OD1 3.22Å; V50-Q131 HydrophobicContact CB-CB 4.45Å; V50-Q131 PolarHBondContact N-O 3.21Å; V50-Q131 PolarHBondContact O-N 3.34Å; V50-Y144 HydrophobicContact CB-CE1 4.45Å; V50-Y144 HydrophobicContact CG1-CE1 4.27Å; V50-Y144 HydrophobicContact CG2-CE1 4.25Å
51	I	90.9	Very high	70.6	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130	169.1	-62.1	177.1	0	0	0	107.6	F33 R81 S82 M85 L98 F102 V128 L130	F33-I51 HydrophobicContact CB-CD1 4.28Å; F33-I51 HydrophobicContact CD2-CG2 4.17Å; F33-I51 HydrophobicContact CE2-CG2 4.1Å; F33-I51 HydrophobicContact CG-CD1 4.32Å; F33-I51 HydrophobicContact CG-CG2 4.49Å; F33-I51 HydrophobicContact CZ-CG2 4.36Å; I51-R81 CarbonylContact O-C 3.59Å; I51-R81 WeakPolarHBondContact O-CA 3.48Å; I51-S82 PolarHBondContact N-OG 2.89Å; I51-S82 PolarHBondContact O-N 2.79Å; I51-S82 PolarHBondContact O-OG 3.49Å; I51-M85 HydrophobicContact CD1-CE 4.13Å; I51-M85 HydrophobicContact CD1-SD 4.16Å; I51-M85 HydrophobicContact CG1-CE 4.37Å; I51-M85 HydrophobicContact CG1-SD 4.23Å; I51-L98 HydrophobicContact CD1-CD1 3.42Å; I51-L98 VanDerWaalsContact CD1-CD1 3.42Å; I51-F102 HydrophobicContact CB-CE2 4.47Å; I51-F102 HydrophobicContact CB-CZ 4.37Å; I51-F102 HydrophobicContact CG2-CE2 3.79Å; I51-F102 HydrophobicContact CG2-CZ 3.95Å; I51-F102 WeakPolarHBondContact O-CZ 3.42Å; I51-V128 HydrophobicContact CG2-CG1 4.44Å; I51-L130 HydrophobicContact CG1-CD1 4.29Å
52	A	90.9	Very high	69.2	Low	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.2	-177.1	0	0	0	0	0	110.8	T79 L80 R81 V128 M129 Q131	A52-T79 HydrophobicContact CB-CG2 3.93Å; A52-L80 CarbonylContact C-O 3.57Å; A52-L80 WeakPolarHBondContact CA-O 3.08Å; A52-R81 HydrophobicContact CB-CG 3.79Å; A52-V128 CarbonylContact O-C 3.5Å; A52-V128 WeakPolarHBondContact O-CA 3.43Å; A52-M129 HydrophobicContact CB-CB 4.23Å; A52-M129 HydrophobicContact CB-CE 4.04Å; A52-M129 PolarHBondContact N-O 2.68Å; A52-M129 PolarHBondContact O-N 2.9Å; A52-Q131 HydrophobicContact CB-CG 4.06Å
53	V	87.9	Confident	67.9	Low	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.9	-177.9	-179.6	0	0	0	0	109.9	L31 F33 T79 L80 F102 L104 L126 L127	L31-V53 HydrophobicContact CD1-CG1 3.95Å; L31-V53 HydrophobicContact CD1-CG2 4.27Å; F33-V53 HydrophobicContact CE2-CG2 4.17Å; F33-V53 HydrophobicContact CZ-CG2 4.5Å; V53-T79 CarbonylContact O-C 3.5Å; V53-T79 WeakPolarHBondContact O-CA 3.43Å; V53-L80 PolarHBondContact N-O 3.09Å; V53-L80 PolarHBondContact O-N 3.28Å; V53-F102 HydrophobicContact CB-CD1 3.86Å; V53-F102 HydrophobicContact CB-CE1 4.11Å; V53-F102 HydrophobicContact CB-CG 4.15Å; V53-F102 HydrophobicContact CG2-CB 4.33Å; V53-F102 HydrophobicContact CG2-CD1 3.73Å; V53-F102 HydrophobicContact CG2-CD2 3.7Å; V53-F102 HydrophobicContact CG2-CE1 3.82Å; V53-F102 HydrophobicContact CG2-CE2 3.8Å; V53-F102 HydrophobicContact CG2-CG 3.66Å; V53-F102 HydrophobicContact CG2-CZ 3.87Å; V53-L104 HydrophobicContact CG1-CD1 3.88Å; V53-L126 HydrophobicContact CG1-CD1 3.49Å; V53-L126 VanDerWaalsContact CG1-CD1 3.49Å; V53-L126 HydrophobicContact CG1-CD2 4.48Å; V53-L126 HydrophobicContact CG1-CG 4.01Å; V53-L127 CarbonylContact C-O 3.53Å; V53-L127 VanDerWaalsContact CA-O 3.32Å; V53-L127 WeakPolarHBondContact CA-O 3.36Å
54	K	84.9	Confident	66.4	Low	54 Å²	54	64.9 Å²	64.9	24%	0.235	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127	-174.6	178.3	-174.5	178.3	-168.8	0	111	T79 L127 M129	K54-T79 HydrophobicContact CB-CG2 4.1Å; K54-T79 WeakPolarHBondContact CD-OG1 3.18Å; K54-T79 WeakPolarHBondContact CG-OG1 3.39Å; K54-L127 HydrophobicContact CB-CB 4.39Å; K54-L127 HydrophobicContact CD-CD1 4.48Å; K54-L127 PolarHBondContact N-O 3.31Å; K54-L127 PolarHBondContact O-N 3.43Å; K54-M129 HydrophobicContact CB-CE 3.65Å; K54-M129 HydrophobicContact CD-CE 4.37Å
55	L	75.7	Confident	65.5	Low	8 Å²	8	62 Å²	62	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.9	167.1	-151.8	62.8	0	0	0	110.3	W15 V57 F76 L126 L154	W15-L55 HydrophobicContact CB-CD2 4.37Å; W15-L55 HydrophobicContact CD2-CB 3.97Å; W15-L55 HydrophobicContact CD2-CD2 4Å; W15-L55 HydrophobicContact CE3-CB 3.69Å; W15-L55 HydrophobicContact CE3-CD1 4.07Å; W15-L55 HydrophobicContact CE3-CD2 3.59Å; W15-L55 HydrophobicContact CE3-CG 3.98Å; W15-L55 HydrophobicContact CG-CD2 4.38Å; W15-L55 HydrophobicContact CH2-CB 3.61Å; W15-L55 VanDerWaalsContact CH2-N 3.3Å; W15-L55 HydrophobicContact CZ2-CB 3.92Å; W15-L55 HydrophobicContact CZ3-CB 3.48Å; W15-L55 VanDerWaalsContact CZ3-CB 3.48Å; W15-L55 HydrophobicContact CZ3-CD1 3.78Å; W15-L55 HydrophobicContact CZ3-CD2 4.11Å; W15-L55 HydrophobicContact CZ3-CG 3.97Å; L55-V57 HydrophobicContact CD2-CG2 3.42Å; L55-V57 VanDerWaalsContact CD2-CG2 3.42Å; L55-V57 HydrophobicContact CG-CG2 3.75Å; L55-F76 VanDerWaalsContact O-O 3.04Å; L55-L126 HydrophobicContact CD1-CD1 3.99Å; L55-L154 HydrophobicContact CD1-CD1 3.4Å
56	Q	68.7	Low	64.4	Low	87 Å²	87	68.6 Å²	68.6	41%	0.407	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	91.2	164.2	-172.4	172	-0.7	0	0	107.5	N123 R125	Q56-N123 VanDerWaalsContact O-O 3.11Å; Q56-R125 PolarHBondContact N-O 2.95Å; Q56-R125 PolarHBondContact O-N 3Å
57	V	59.6	Low	63.3	Low	22 Å²	22	77.4 Å²	77.4	13%	0.133	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.5	164.3	-177.9	0	0	0	0	107.3	L55 L59	L55-V57 HydrophobicContact CD2-CG2 3.42Å; L55-V57 VanDerWaalsContact CD2-CG2 3.42Å; L55-V57 HydrophobicContact CG-CG2 3.75Å; V57-L59 HydrophobicContact CG1-CD1 4.44Å; V57-L59 HydrophobicContact CG1-CG 4.11Å
58	L	50.6	Low	61.5	Low	89 Å²	89	81.3 Å²	81.3	47%	0.466	41%	0.409	S	S	.	.			trans	-99.1	91.1	171.8	-156.8	154.6	0	0	0	109.1	Q60 N123	L58-Q60 HydrophobicContact CD2-CB 3.81Å; L58-Q60 HydrophobicContact CD2-CG 4.39Å; L58-Q60 PolarHBondContact O-N 3.24Å; L58-N123 HydrophobicContact CB-CB 4.47Å; L58-N123 PolarHBondContact N-O 3.2Å
59	L	48	Very low	59.4	Low	56 Å²	56	84.8 Å²	84.8	29%	0.293	43%	0.427	S	S	.	.			trans	-74.7	67.5	-178.2	-111.5	163.1	0	0	0	111.5	V57 R61 L73 F76	V57-L59 HydrophobicContact CG1-CD1 4.44Å; V57-L59 HydrophobicContact CG1-CG 4.11Å; L59-R61 VanDerWaalsContact C-N 3.34Å; L59-R61 PolarHBondContact O-N 2.98Å; L59-L73 HydrophobicContact CB-CB 4.41Å; L59-F76 HydrophobicContact CD1-CE2 4.42Å
60	Q	43.2	Very low	56.9	Low	106 Å²	106	90.3 Å²	90.3	50%	0.495	46%	0.461	S	S	.	.			trans	-79.4	82.1	175.8	-149.8	-178.4	22.5	0	0	110.8	L58 S62 K120	L58-Q60 HydrophobicContact CD2-CB 3.81Å; L58-Q60 HydrophobicContact CD2-CG 4.39Å; L58-Q60 PolarHBondContact O-N 3.24Å; Q60-S62 PolarHBondContact O-N 3.49Å; Q60-S62 VanDerWaalsContact O-N 3.17Å; Q60-K120 PolarHBondContact O-NZ 2.86Å
61	R	41.4	Very low	54.4	Low	173 Å²	173	96 Å²	96	65%	0.653	49%	0.49	S	S	*	.			trans	-71.1	98.3	163.9	-85.1	-172	170.7	-178	-1.5	109	L59 I63	L59-R61 VanDerWaalsContact C-N 3.34Å; L59-R61 PolarHBondContact O-N 2.98Å; R61-I63 HydrophobicContact CB-CG1 4.48Å; R61-I63 PolarHBondContact O-N 3.11Å
62	S	39.2	Very low	52	Low	95 Å²	95	100.7 Å²	100.7	66%	0.664	52%	0.521	S	S	*	.			trans	-70.6	82.8	163.7	-60.4	0	0	0	0	109.3	Q60 S64	Q60-S62 PolarHBondContact O-N 3.49Å; Q60-S62 VanDerWaalsContact O-N 3.17Å; S62-S64 PolarHBondContact O-N 3.23Å; S62-S64 VanDerWaalsContact O-N 3.15Å
63	I	42.1	Very low	49.5	Very low	116 Å²	116	104.5 Å²	104.5	60%	0.595	54%	0.541	S	S	*	.			trans	-74.9	98.5	163.1	-64.1	173.6	0	0	0	106	R61 L65	R61-I63 HydrophobicContact CB-CG1 4.48Å; R61-I63 PolarHBondContact O-N 3.11Å; I63-L65 HydrophobicContact CG2-CB 4.26Å; I63-L65 HydrophobicContact CG2-CD1 3.75Å; I63-L65 HydrophobicContact CG2-CG 3.78Å; I63-L65 PolarHBondContact O-N 3.07Å
64	S	37.5	Very low	47.4	Very low	124 Å²	124	112.2 Å²	112.2	87%	0.867	58%	0.577	S	S	*	*			trans	-76.9	67	173.8	-162.5	0	0	0	0	110.1	S62	S62-S64 PolarHBondContact O-N 3.23Å; S62-S64 VanDerWaalsContact O-N 3.15Å
65	L	42.3	Very low	45.5	Very low	137 Å²	137	111.1 Å²	111.1	72%	0.717	58%	0.581	S	S	*	*			trans	-82.6	131.4	159.2	-81.8	166.5	0	0	0	107.5	I63 K67	I63-L65 HydrophobicContact CG2-CB 4.26Å; I63-L65 HydrophobicContact CG2-CD1 3.75Å; I63-L65 HydrophobicContact CG2-CG 3.78Å; I63-L65 PolarHBondContact O-N 3.07Å; L65-K67 PolarHBondContact O-N 3.39Å
66	K	41.4	Very low	44.3	Very low	206 Å²	206	114.1 Å²	114.1	90%	0.896	59%	0.594	S	S	*	*	S	Bend	trans	-56.5	125.4	177.5	-67.3	174	178	177.8	0	108.7
67	K	44.9	Very low	43.6	Very low	193 Å²	193	115.1 Å²	115.1	84%	0.839	60%	0.597	S	S	*	*	S	Bend	trans	98	97	-171.3	-60.4	176.8	178.5	-177.1	0	114.8	L65 L69	L65-K67 PolarHBondContact O-N 3.39Å; K67-L69 PolarHBondContact O-N 2.88Å
68	N	38.9	Very low	44	Very low	170 Å²	170	121.5 Å²	121.5	91%	0.909	62%	0.619	S	S	*	*			trans	-1	75.5	156.8	-61.7	-5.8	0	0	0	118.1
69	L	39.8	Very low	45.5	Very low	137 Å²	137	119 Å²	119	72%	0.717	61%	0.607	S	S	*	*			trans	-138	78.2	164.6	-159.2	71.5	0	0	0	111.3	K67 I71	K67-L69 PolarHBondContact O-N 2.88Å; L69-I71 HydrophobicContact CD2-CD1 3.93Å; L69-I71 HydrophobicContact CD2-CG1 4.04Å; L69-I71 HydrophobicContact CG-CD1 4.33Å; L69-I71 HydrophobicContact CG-CG1 3.88Å; L69-I71 PolarHBondContact O-N 2.94Å; L69-I71 VanDerWaalsContact O-N 3.14Å
70	T	36.8	Very low	47.5	Very low	115 Å²	115	118 Å²	118	71%	0.706	60%	0.602	S	S	*	*			trans	-77.1	94.2	167.6	-58	0	0	0	0	108.2	P72	T70-P72 WeakPolarHBondContact O-CD 3.4Å
71	I	38.7	Very low	49.8	Very low	120 Å²	120	116.9 Å²	116.9	62%	0.615	59%	0.593	S	S	*	*			trans	-81.6	110.9	170	-52.6	179.5	0	0	0	107.6	L69 L73	L69-I71 HydrophobicContact CD2-CD1 3.93Å; L69-I71 HydrophobicContact CD2-CG1 4.04Å; L69-I71 HydrophobicContact CG-CD1 4.33Å; L69-I71 HydrophobicContact CG-CG1 3.88Å; L69-I71 PolarHBondContact O-N 2.94Å; L69-I71 VanDerWaalsContact O-N 3.14Å; I71-L73 PolarHBondContact O-N 3.33Å; I71-L73 VanDerWaalsContact O-N 3.1Å
72	P	39.8	Very low	52.1	Low	106 Å²	106	108.9 Å²	108.9	69%	0.688	56%	0.563	S	S	*	*			trans	-67.5	110.3	169.4	28.6	-32.6	0	0	0	108.5	T70 Q74	T70-P72 WeakPolarHBondContact O-CD 3.4Å; P72-Q74 PolarHBondContact O-N 3.1Å
73	L	39.2	Very low	54.5	Low	80 Å²	80	109 Å²	109	42%	0.419	56%	0.557	S	S	.	*			trans	-61	112.5	166.4	-81.5	163.9	0	0	0	107.7	L59 I71 G75	L59-L73 HydrophobicContact CB-CB 4.41Å; I71-L73 PolarHBondContact O-N 3.33Å; I71-L73 VanDerWaalsContact O-N 3.1Å; L73-G75 PolarHBondContact O-N 2.93Å
74	Q	42.9	Very low	56.7	Low	162 Å²	162	105.9 Å²	105.9	76%	0.757	54%	0.541	S	S	*	.			trans	-56.2	104.7	-172.9	-165	170.7	10.3	0	0	109.9	P72	P72-Q74 PolarHBondContact O-N 3.1Å
75	G	44.9	Very low	59	Low	32 Å²	32	100 Å²	100	33%	0.33	50%	0.5	S	S	.	.			trans	-58.6	143.3	-170.7	0	0	0	0	0	111.9	L73 K77	L73-G75 PolarHBondContact O-N 2.93Å; G75-K77 PolarHBondContact O-N 3.42Å
76	F	49.9	Very low	60.9	Low	71 Å²	71	96.2 Å²	96.2	31%	0.311	48%	0.484	S	S	.	.			trans	-55.5	95.5	-174.2	-76.4	-90.2	0	0	0	112.4	E16 L55 L59 R78	E16-F76 HydrophobicContact CG-CD2 4.28Å; E16-F76 HydrophobicContact CG-CE1 4.19Å; E16-F76 HydrophobicContact CG-CE2 3.58Å; E16-F76 HydrophobicContact CG-CZ 3.53Å; E16-F76 WeakPolarHBondContact OE1-CD2 3.37Å; E16-F76 WeakPolarHBondContact OE1-CE2 3.19Å; L55-F76 VanDerWaalsContact O-O 3.04Å; L59-F76 HydrophobicContact CD1-CE2 4.42Å; F76-R78 PolarHBondContact O-N 3.02Å
77	K	55.5	Low	62.8	Low	108 Å²	108	86.6 Å²	86.6	47%	0.47	44%	0.442	S	S	.	.			trans	-76.2	3.9	-179.2	-71.8	-174.9	-179.1	179.1	0	113.7	G75 T79 E200	G75-K77 PolarHBondContact O-N 3.42Å; K77-T79 PolarHBondContact O-N 3.49Å; K77-T79 PolarHBondContact O-OG1 3.08Å; K77-E200 VanDerWaalsContact NZ-CD 3.28Å; K77-E200 IonicContact NZ-OE1 3.43Å; K77-E200 PolarHBondContact NZ-OE1 3.16Å; K77-E200 IonicContact NZ-OE2 2.73Å; K77-E200 PolarHBondContact NZ-OE2 2.98Å
78	R	68.2	Low	64.4	Low	156 Å²	156	82.5 Å²	82.5	59%	0.589	43%	0.433	S	S	*	.			trans	-62.2	126.7	-176.6	-77.8	-173.1	-176.6	163.3	3.9	111.4	F76	F76-R78 PolarHBondContact O-N 3.02Å
79	T	82.1	Confident	66.1	Low	36 Å²	36	77.6 Å²	77.6	22%	0.221	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.4	-179	-56.1	0	0	0	0	109.1	A52 V53 K54 K77 R81 M129	A52-T79 HydrophobicContact CB-CG2 3.93Å; V53-T79 CarbonylContact O-C 3.5Å; V53-T79 WeakPolarHBondContact O-CA 3.43Å; K54-T79 HydrophobicContact CB-CG2 4.1Å; K54-T79 WeakPolarHBondContact CD-OG1 3.18Å; K54-T79 WeakPolarHBondContact CG-OG1 3.39Å; K77-T79 PolarHBondContact O-N 3.49Å; K77-T79 PolarHBondContact O-OG1 3.08Å; T79-R81 HydrophobicContact CG2-CG 4.29Å; T79-M129 HydrophobicContact CG2-CE 3.57Å
80	L	88.6	Confident	67.6	Low	34 Å²	34	74 Å²	74	18%	0.178	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.5	166.7	-73.7	-177.3	0	0	0	110.1	L11 A13 A52 V53 F102 L104	L11-L80 HydrophobicContact CB-CD1 4.34Å; A13-L80 HydrophobicContact CB-CD1 3.73Å; A13-L80 HydrophobicContact CB-CD2 3.98Å; A13-L80 HydrophobicContact CB-CG 3.96Å; A52-L80 CarbonylContact C-O 3.57Å; A52-L80 WeakPolarHBondContact CA-O 3.08Å; V53-L80 PolarHBondContact N-O 3.09Å; V53-L80 PolarHBondContact O-N 3.28Å; L80-F102 HydrophobicContact CB-CD1 3.67Å; L80-F102 HydrophobicContact CB-CE1 3.81Å; L80-F102 HydrophobicContact CD1-CD1 3.94Å; L80-F102 HydrophobicContact CG-CD1 4.5Å; L80-L104 HydrophobicContact CD1-CD2 3.58Å; L80-L104 HydrophobicContact CG-CD2 4.49Å
81	R	91.1	Very high	69.2	Low	84 Å²	84	76.3 Å²	76.3	32%	0.317	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.1	179.4	-65.4	-168.8	170.4	79.6	-1.8	110.7	L11 V50 I51 A52 T79	L11-R81 WeakPolarHBondContact CD1-O 3.36Å; V50-R81 HydrophobicContact CG1-CB 3.84Å; V50-R81 HydrophobicContact CG1-CG 4.25Å; I51-R81 CarbonylContact O-C 3.59Å; I51-R81 WeakPolarHBondContact O-CA 3.48Å; A52-R81 HydrophobicContact CB-CG 3.79Å; T79-R81 HydrophobicContact CG2-CG 4.29Å
82	S	91.2	Very high	70.7	Confident	4 Å²	4	71.8 Å²	71.8	3%	0.028	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.1	169	164.9	71.7	0	0	0	0	111.3	I51	I51-S82 PolarHBondContact N-OG 2.89Å; I51-S82 PolarHBondContact O-N 2.79Å; I51-S82 PolarHBondContact O-OG 3.49Å
83	N	89.2	Confident	72.3	Confident	98 Å²	98	70.2 Å²	70.2	52%	0.524	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62.7	165.3	158.7	-62.6	-29.3	0	0	0	110.2	M9 M85	M9-N83 HydrophobicContact CE-CB 4.15Å; M9-N83 HydrophobicContact SD-CB 3.58Å; M9-N83 VanDerWaalsContact SD-CB 3.58Å; M9-N83 PolarHBondContact SD-N 3.45Å; N83-M85 PolarHBondContact O-N 3.35Å
84	D	87.2	Confident	74	Confident	51 Å²	51	66.5 Å²	66.5	27%	0.273	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.3	123.2	168.9	-69.9	-16.1	0	0	0	109	N48 V50 R133	N48-D84 HydrophobicContact CB-CB 4.18Å; V50-D84 WeakPolarHBondContact CG2-OD1 3.22Å; D84-R133 WeakPolarHBondContact OD1-CD 3.34Å; D84-R133 IonicContact OD1-CZ 3.71Å; D84-R133 IonicContact OD1-NE 2.92Å; D84-R133 PolarHBondContact OD1-NE 2.85Å; D84-R133 VanDerWaalsContact OD1-NE 3.11Å; D84-R133 IonicContact OD1-NH1 2.69Å; D84-R133 PolarHBondContact OD1-NH1 2.93Å; D84-R133 IonicContact OD1-NH2 3.83Å; D84-R133 WeakPolarHBondContact OD2-CD 3.35Å; D84-R133 IonicContact OD2-CZ 3.46Å; D84-R133 IonicContact OD2-NE 2.73Å; D84-R133 IonicContact OD2-NH1 2.83Å; D84-R133 PolarHBondContact OD2-NH1 3.13Å
85	M	85.8	Confident	75.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.9	175.9	-66.5	164	23.5	0	0	108	I6 M9 L36 N48 L49 I51 N83 L98 V100	I6-M85 HydrophobicContact CD1-CB 3.85Å; I6-M85 HydrophobicContact CD1-CG 3.95Å; M9-M85 HydrophobicContact CE-CG 4.11Å; L36-M85 HydrophobicContact CD2-CE 3.99Å; N48-M85 WeakPolarHBondContact CA-O 3.45Å; L49-M85 PolarHBondContact N-O 3.48Å; L49-M85 WeakPolarHBondContact O-CB 3.41Å; L49-M85 PolarHBondContact O-N 2.89Å; I51-M85 HydrophobicContact CD1-CE 4.13Å; I51-M85 HydrophobicContact CD1-SD 4.16Å; I51-M85 HydrophobicContact CG1-CE 4.37Å; I51-M85 HydrophobicContact CG1-SD 4.23Å; N83-M85 PolarHBondContact O-N 3.35Å; M85-L98 HydrophobicContact CE-CD1 4.08Å; M85-L98 HydrophobicContact CE-CD2 3.28Å; M85-L98 HydrophobicContact CE-CG 4.34Å; M85-L98 HydrophobicContact SD-CD2 4.13Å; M85-V100 HydrophobicContact SD-CG2 4.21Å
86	P	83.6	Confident	77.4	Confident	57 Å²	57	61.9 Å²	61.9	37%	0.37	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.7	173.6	28.2	-33.4	0	0	0	109.6	T47 N48	T47-P86 CarbonylContact O-C 3.56Å; T47-P86 WeakPolarHBondContact O-CA 3.46Å; N48-P86 WeakPolarHBondContact OD1-CA 3.34Å
87	V	81.3	Confident	78.7	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	33%	0.331	C	S	.	.			trans	-131.7	136.3	175.7	-62.5	0	0	0	0	110.5	L42 T47 L49 V94 V96	L42-V87 HydrophobicContact CD2-CG2 4.23Å; T47-V87 PolarHBondContact O-N 3.05Å; L49-V87 HydrophobicContact CD1-CB 4.47Å; L49-V87 HydrophobicContact CD1-CG1 3.95Å; L49-V87 HydrophobicContact CD1-CG2 3.79Å; L49-V87 HydrophobicContact CG-CG1 4.28Å; L49-V87 HydrophobicContact CG-CG2 3.81Å; V87-V94 HydrophobicContact CB-CG1 3.84Å; V87-V94 HydrophobicContact CG1-CG1 3.94Å; V87-V96 HydrophobicContact CG1-CG2 4.21Å
88	V	78.2	Confident	80	Confident	106 Å²	106	57.6 Å²	57.6	64%	0.642	31%	0.31	S	S	*	.			trans	-119.6	110.4	175.9	-177.7	0	0	0	0	107.4	V90	V88-V90 PolarHBondContact O-N 3.07Å
89	P	74.7	Confident	80.7	Confident	68 Å²	68	51.7 Å²	51.7	44%	0.442	29%	0.29	S	S	.	.			trans	-71	127.7	177.1	27.9	-32.4	0	0	0	110.3	I93 V94	P89-I93 CarbonylContact C-O 3.51Å; P89-I93 WeakPolarHBondContact CA-O 3.39Å; P89-V94 HydrophobicContact CB-CG2 3.92Å
90	V	70.4	Confident	80.9	Confident	62 Å²	62	50 Å²	50	38%	0.376	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-106.7	121.1	174.1	-177.6	0	0	0	0	107.4	M1 V88 G92 I93	M1-V90 HydrophobicContact CE-CG1 4.05Å; M1-V90 HydrophobicContact CE-CG2 4.28Å; M1-V90 HydrophobicContact SD-CG1 4.28Å; M1-V90 HydrophobicContact SD-CG2 3.64Å; V88-V90 PolarHBondContact O-N 3.07Å; V90-G92 PolarHBondContact O-N 3.03Å; V90-G92 VanDerWaalsContact O-N 3.14Å; V90-I93 PolarHBondContact N-O 2.73Å; V90-I93 PolarHBondContact O-N 2.92Å; V90-I93 VanDerWaalsContact O-O 3.1Å
91	N	71.2	Confident	80.8	Confident	162 Å²	162	50.4 Å²	50.4	87%	0.866	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	33.7	-174.4	-58.6	-14.8	0	0	0	113.6	I93	N91-I93 PolarHBondContact O-N 2.95Å
92	G	70.8	Confident	80.5	Confident	26 Å²	26	46.4 Å²	46.4	27%	0.268	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-5.3	-178.3	0	0	0	0	0	115.4	V90	V90-G92 PolarHBondContact O-N 3.03Å; V90-G92 VanDerWaalsContact O-N 3.14Å
93	I	71.5	Confident	80.1	Confident	73 Å²	73	47.5 Å²	47.5	37%	0.374	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-98.6	133.6	175.8	-58.9	175.3	0	0	0	108.7	T37 I38 P89 V90 N91	T37-I93 HydrophobicContact CG2-CG2 4.33Å; I38-I93 WeakPolarHBondContact O-CA 3.06Å; P89-I93 CarbonylContact C-O 3.51Å; P89-I93 WeakPolarHBondContact CA-O 3.39Å; V90-I93 PolarHBondContact N-O 2.73Å; V90-I93 PolarHBondContact O-N 2.92Å; V90-I93 VanDerWaalsContact O-O 3.1Å; N91-I93 PolarHBondContact O-N 2.95Å
94	V	76.3	Confident	79.6	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.3	164.9	177	0	0	0	0	107.1	T37 I38 V87 P89 V96	T37-V94 CarbonylContact C-O 3.57Å; T37-V94 VanDerWaalsContact CA-O 3.23Å; T37-V94 WeakPolarHBondContact CA-O 3.46Å; I38-V94 HydrophobicContact CB-CB 4.01Å; I38-V94 HydrophobicContact CD1-CB 4.16Å; I38-V94 HydrophobicContact CD1-CG1 4.4Å; I38-V94 HydrophobicContact CD1-CG2 4.39Å; I38-V94 HydrophobicContact CG1-CB 4.1Å; I38-V94 PolarHBondContact N-O 2.89Å; I38-V94 PolarHBondContact O-N 3.14Å; I38-V94 VanDerWaalsContact O-N 3.08Å; V87-V94 HydrophobicContact CB-CG1 3.84Å; V87-V94 HydrophobicContact CG1-CG1 3.94Å; P89-V94 HydrophobicContact CB-CG2 3.92Å; V94-V96 HydrophobicContact CG1-CG2 3.74Å
95	D	78.6	Confident	78.8	Confident	76 Å²	76	42.8 Å²	42.8	41%	0.406	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	113.1	170.8	-167.2	26.6	0	0	0	109.3	R35 L36 T37	R35-D95 IonicContact CZ-OD1 3.55Å; R35-D95 IonicContact CZ-OD2 3.22Å; R35-D95 IonicContact NE-OD1 2.68Å; R35-D95 PolarHBondContact NE-OD1 2.78Å; R35-D95 IonicContact NE-OD2 2.88Å; R35-D95 PolarHBondContact NE-OD2 3.18Å; R35-D95 IonicContact NH2-OD1 3.67Å; R35-D95 PolarHBondContact NH2-OD1 3.07Å; R35-D95 IonicContact NH2-OD2 2.71Å; R35-D95 PolarHBondContact NH2-OD2 3.25Å; L36-D95 WeakPolarHBondContact O-CA 3.41Å; T37-D95 HydrophobicContact CG2-CB 4.13Å; T37-D95 PolarHBondContact OG1-OD1 3.02Å
96	V	79	Confident	77.8	Confident	22 Å²	22	44.2 Å²	44.2	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.9	-168.1	-177.5	0	0	0	0	110.5	I6 R35 L36 V87 V94 L98	I6-V96 HydrophobicContact CD1-CG1 3.96Å; I6-V96 HydrophobicContact CG1-CG1 3.91Å; R35-V96 CarbonylContact C-O 3.6Å; R35-V96 WeakPolarHBondContact CA-O 3.17Å; L36-V96 PolarHBondContact N-O 3.48Å; L36-V96 PolarHBondContact O-N 2.91Å; V87-V96 HydrophobicContact CG1-CG2 4.21Å; V94-V96 HydrophobicContact CG1-CG2 3.74Å; V96-L98 HydrophobicContact CG1-CD2 4.12Å
97	D	77.7	Confident	76.3	Confident	83 Å²	83	43.4 Å²	43.4	44%	0.444	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.4	171.2	-71.8	-39.9	0	0	0	110.9	I6	I6-D97 WeakPolarHBondContact CG1-O 3.5Å
98	L	82.4	Confident	74.9	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.4	-175.9	-57.4	-172	0	0	0	112.1	I6 F33 N34 L36 I51 M85 V96 K464	I6-L98 HydrophobicContact CD1-CD2 4.3Å; I6-L98 HydrophobicContact CG1-CD2 4.29Å; F33-L98 HydrophobicContact CB-CD1 4.02Å; F33-L98 CarbonylContact O-C 3.5Å; F33-L98 WeakPolarHBondContact O-CB 3.38Å; N34-L98 CarbonylContact C-O 3.59Å; N34-L98 WeakPolarHBondContact CA-O 3.49Å; N34-L98 PolarHBondContact O-N 2.81Å; L36-L98 HydrophobicContact CB-CD1 3.72Å; L36-L98 HydrophobicContact CB-CD2 4.31Å; L36-L98 HydrophobicContact CB-CG 4.11Å; I51-L98 HydrophobicContact CD1-CD1 3.42Å; I51-L98 VanDerWaalsContact CD1-CD1 3.42Å; M85-L98 HydrophobicContact CE-CD1 4.08Å; M85-L98 HydrophobicContact CE-CD2 3.28Å; M85-L98 HydrophobicContact CE-CG 4.34Å; M85-L98 HydrophobicContact SD-CD2 4.13Å; V96-L98 HydrophobicContact CG1-CD2 4.12Å; L98-K464 PolarHBondContact O-NZ 2.75Å
99	D	83.9	Confident	73.2	Confident	32 Å²	32	43.1 Å²	43.1	17%	0.171	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	69.2	160.1	-161	21.9	0	0	0	113.1	P8 M9 R10 K464	P8-D99 CarbonylContact C-O 3.59Å; P8-D99 WeakPolarHBondContact CA-O 3.45Å; P8-D99 HydrophobicContact CB-CB 4.25Å; P8-D99 WeakPolarHBondContact CB-OD2 3.41Å; P8-D99 HydrophobicContact CG-CB 4.28Å; M9-D99 PolarHBondContact N-O 3.41Å; R10-D99 IonicContact CZ-OD1 2.62Å; R10-D99 IonicContact CZ-OD2 3.73Å; R10-D99 IonicContact NH1-OD1 2.68Å; R10-D99 IonicContact NH2-OD1 3.66Å; R10-D99 PolarHBondContact NH2-OD1 2.92Å; R10-D99 IonicContact NH2-OD2 4Å; R10-D99 PolarHBondContact NH2-OD2 3.1Å; D99-K464 WeakPolarHBondContact OD1-CE 3.46Å; D99-K464 IonicContact OD1-NZ 2.68Å; D99-K464 PolarHBondContact OD1-NZ 3.25Å
100	V	86	Confident	71.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.5	178.2	-167.5	0	0	0	0	110.3	M9 L11 F33 M85 F102	M9-V100 HydrophobicContact CB-CG1 4.17Å; M9-V100 HydrophobicContact CB-CG2 4.44Å; M9-V100 HydrophobicContact CE-CG2 3.89Å; M9-V100 CarbonylContact O-C 3.54Å; M9-V100 WeakPolarHBondContact O-CA 3.33Å; L11-V100 HydrophobicContact CD1-CG1 4.16Å; F33-V100 HydrophobicContact CB-CB 4.45Å; F33-V100 PolarHBondContact N-O 3.17Å; F33-V100 PolarHBondContact O-N 2.63Å; M85-V100 HydrophobicContact SD-CG2 4.21Å; V100-F102 HydrophobicContact CB-CE2 4.47Å; V100-F102 HydrophobicContact CG1-CD2 4.12Å; V100-F102 HydrophobicContact CG1-CE2 3.44Å; V100-F102 VanDerWaalsContact CG1-CE2 3.44Å; V100-F102 HydrophobicContact CG1-CZ 3.89Å
101	E	86	Confident	70	Confident	44 Å²	44	47.5 Å²	47.5	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.6	173.1	-173.2	-171.3	135.2	0	0	110.7	M9 R10 L11 C30 L31 T103	M9-E101 PolarHBondContact O-N 2.92Å; R10-E101 WeakPolarHBondContact CD-OE2 3.33Å; R10-E101 IonicContact CZ-OE2 2.86Å; R10-E101 IonicContact NE-OE2 3.39Å; R10-E101 IonicContact NH1-OE2 2.85Å; R10-E101 PolarHBondContact NH1-OE2 2.92Å; L11-E101 PolarHBondContact N-O 3.15Å; C30-E101 VanDerWaalsContact SG-CD 3.5Å; C30-E101 VanDerWaalsContact SG-CG 3.55Å; C30-E101 PolarHBondContact SG-OE1 2.85Å; L31-E101 CarbonylContact O-C 3.6Å; L31-E101 VanDerWaalsContact O-CA 3.28Å; L31-E101 WeakPolarHBondContact O-CA 3.46Å; E101-T103 PolarHBondContact OE1-OG1 2.83Å
102	F	85.5	Confident	68.1	Low	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.7	170.2	-60.2	-102.1	0	0	0	108.6	L11 C30 L31 F33 I51 V53 L80 V100	L11-F102 HydrophobicContact CB-CD1 4.02Å; L11-F102 HydrophobicContact CB-CE1 4.42Å; L11-F102 HydrophobicContact CD1-CD1 3.77Å; L11-F102 HydrophobicContact CD1-CE1 3.32Å; L11-F102 HydrophobicContact CD1-CE2 4.37Å; L11-F102 HydrophobicContact CD1-CG 4.46Å; L11-F102 HydrophobicContact CD1-CZ 3.66Å; L11-F102 CarbonylContact O-C 3.54Å; L11-F102 WeakPolarHBondContact O-CA 3.44Å; C30-F102 WeakPolarHBondContact CA-O 3.27Å; L31-F102 HydrophobicContact CB-CB 4.39Å; L31-F102 PolarHBondContact N-O 3.17Å; L31-F102 PolarHBondContact O-N 3.03Å; F33-F102 AromaticContact CD2-CD2 3.77Å; F33-F102 HydrophobicContact CD2-CD2 3.77Å; F33-F102 AromaticContact CD2-CE2 3.71Å; F33-F102 HydrophobicContact CD2-CE2 3.71Å; F33-F102 AromaticContact CE2-CD2 3.57Å; F33-F102 HydrophobicContact CE2-CD2 3.57Å; F33-F102 AromaticContact CE2-CE2 3.69Å; F33-F102 HydrophobicContact CE2-CE2 3.69Å; I51-F102 HydrophobicContact CB-CE2 4.47Å; I51-F102 HydrophobicContact CB-CZ 4.37Å; I51-F102 HydrophobicContact CG2-CE2 3.79Å; I51-F102 HydrophobicContact CG2-CZ 3.95Å; I51-F102 WeakPolarHBondContact O-CZ 3.42Å; V53-F102 HydrophobicContact CB-CD1 3.86Å; V53-F102 HydrophobicContact CB-CE1 4.11Å; V53-F102 HydrophobicContact CB-CG 4.15Å; V53-F102 HydrophobicContact CG2-CB 4.33Å; V53-F102 HydrophobicContact CG2-CD1 3.73Å; V53-F102 HydrophobicContact CG2-CD2 3.7Å; V53-F102 HydrophobicContact CG2-CE1 3.82Å; V53-F102 HydrophobicContact CG2-CE2 3.8Å; V53-F102 HydrophobicContact CG2-CG 3.66Å; V53-F102 HydrophobicContact CG2-CZ 3.87Å; L80-F102 HydrophobicContact CB-CD1 3.67Å; L80-F102 HydrophobicContact CB-CE1 3.81Å; L80-F102 HydrophobicContact CD1-CD1 3.94Å; L80-F102 HydrophobicContact CG-CD1 4.5Å; V100-F102 HydrophobicContact CB-CE2 4.47Å; V100-F102 HydrophobicContact CG1-CD2 4.12Å; V100-F102 HydrophobicContact CG1-CE2 3.44Å; V100-F102 VanDerWaalsContact CG1-CE2 3.44Å; V100-F102 HydrophobicContact CG1-CZ 3.89Å
103	T	82.9	Confident	66.3	Low	26 Å²	26	49.2 Å²	49.2	16%	0.16	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.7	172.9	-76	0	0	0	0	109.9	L11 F12 A13 L28 E101	L11-T103 PolarHBondContact O-N 2.83Å; F12-T103 WeakPolarHBondContact CA-O 3.48Å; F12-T103 HydrophobicContact CD2-CG2 3.75Å; F12-T103 HydrophobicContact CE2-CG2 3.92Å; A13-T103 PolarHBondContact N-O 3.34Å; L28-T103 HydrophobicContact CD2-CG2 3.96Å; E101-T103 PolarHBondContact OE1-OG1 2.83Å
104	L	78.1	Confident	64.3	Low	2 Å²	2	51.7 Å²	51.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.6	-165.9	-61	166.3	0	0	0	108.1	A13 W15 C29 V53 L80 L126	A13-L104 HydrophobicContact CB-CD2 4.26Å; A13-L104 WeakPolarHBondContact O-CA 3.28Å; W15-L104 HydrophobicContact CE3-CB 4.13Å; W15-L104 HydrophobicContact CE3-CD2 3.97Å; W15-L104 HydrophobicContact CE3-CG 4.45Å; W15-L104 HydrophobicContact CH2-CD1 3.93Å; W15-L104 HydrophobicContact CH2-CD2 3.4Å; W15-L104 HydrophobicContact CH2-CG 4.16Å; W15-L104 HydrophobicContact CZ2-CD2 3.97Å; W15-L104 HydrophobicContact CZ3-CB 3.89Å; W15-L104 HydrophobicContact CZ3-CD1 3.61Å; W15-L104 HydrophobicContact CZ3-CD2 3.39Å; W15-L104 HydrophobicContact CZ3-CG 3.79Å; C29-L104 HydrophobicContact CB-CB 4.22Å; C29-L104 PolarHBondContact N-O 3.11Å; C29-L104 WeakPolarHBondContact O-CB 3.28Å; C29-L104 PolarHBondContact O-N 3.11Å; V53-L104 HydrophobicContact CG1-CD1 3.88Å; L80-L104 HydrophobicContact CD1-CD2 3.58Å; L80-L104 HydrophobicContact CG-CD2 4.49Å; L104-L126 HydrophobicContact CD1-CD1 3.86Å; L104-L126 HydrophobicContact CD1-CD2 3.88Å
105	Q	71.9	Confident	62	Low	48 Å²	48	61.1 Å²	61.1	22%	0.224	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107.9	174.2	-175.6	-177.1	8.6	0	0	108.5	F12 A13 T14 W15 P26 R27 L28	F12-Q105 HydrophobicContact CE2-CB 4.41Å; F12-Q105 HydrophobicContact CZ-CB 4.14Å; A13-Q105 PolarHBondContact O-N 3.45Å; T14-Q105 CarbonylContact C-O 3.51Å; T14-Q105 WeakPolarHBondContact CA-O 3.36Å; T14-Q105 HydrophobicContact CG2-CB 3.98Å; T14-Q105 HydrophobicContact CG2-CG 3.99Å; T14-Q105 PolarHBondContact OG1-OE1 3.35Å; W15-Q105 PolarHBondContact N-O 3.46Å; P26-Q105 HydrophobicContact CB-CG 4.14Å; R27-Q105 CarbonylContact O-C 3.56Å; R27-Q105 WeakPolarHBondContact O-CA 3.39Å; L28-Q105 HydrophobicContact CD2-CB 3.73Å; L28-Q105 HydrophobicContact CD2-CG 4.09Å
106	A	63.1	Low	59.7	Low	31 Å²	31	62.3 Å²	62.3	26%	0.256	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.4	174.1	0	0	0	0	0	109.4	R27	R27-A106 PolarHBondContact N-O 3.23Å; R27-A106 PolarHBondContact O-N 3.35Å
107	M	53.8	Low	57.4	Low	41 Å²	41	67.8 Å²	67.8	20%	0.202	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134	170.1	-71.9	-153.8	178.9	0	0	111	W15 E16 A20 C24 P26 A109	W15-M107 PolarHBondContact O-N 3.11Å; E16-M107 HydrophobicContact CB-CB 4.48Å; E16-M107 WeakPolarHBondContact O-CB 3.44Å; E16-M107 WeakPolarHBondContact O-CG 3.32Å; A20-M107 HydrophobicContact CB-CB 4.35Å; A20-M107 HydrophobicContact CB-CG 4.44Å; A20-M107 HydrophobicContact CB-SD 3.36Å; A20-M107 WeakPolarHBondContact CB-SD 3.28Å; C24-M107 HydrophobicContact CB-CB 4.24Å; C24-M107 HydrophobicContact CB-SD 3.93Å; P26-M107 HydrophobicContact CB-CE 4.24Å; P26-M107 HydrophobicContact CB-CG 4.21Å; M107-A109 PolarHBondContact O-N 3.5Å
108	D	51.1	Low	55.3	Low	47 Å²	47	72.5 Å²	72.5	25%	0.251	39%	0.385	S	S	.	.			trans	-80.6	101	175.3	-167.2	-14.1	0	0	0	109.8	V25 R27 S110	V25-D108 PolarHBondContact O-N 2.87Å; R27-D108 HydrophobicContact CG-CB 4.43Å; D108-S110 VanDerWaalsContact CG-OG 3.3Å; D108-S110 PolarHBondContact O-N 3.48Å; D108-S110 WeakPolarHBondContact OD1-CB 3.28Å; D108-S110 PolarHBondContact OD1-N 2.94Å; D108-S110 PolarHBondContact OD1-OG 2.99Å; D108-S110 PolarHBondContact OD2-OG 3.49Å
109	A	42.8	Very low	53.4	Low	56 Å²	56	74.3 Å²	74.3	46%	0.463	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	3.2	178	0	0	0	0	0	114.1	M107 F111	M107-A109 PolarHBondContact O-N 3.5Å; A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.18Å
110	S	43	Very low	51.3	Low	72 Å²	72	78.2 Å²	78.2	50%	0.503	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	8.5	-172.9	71.5	0	0	0	0	116.4	D108	D108-S110 VanDerWaalsContact CG-OG 3.3Å; D108-S110 PolarHBondContact O-N 3.48Å; D108-S110 WeakPolarHBondContact OD1-CB 3.28Å; D108-S110 PolarHBondContact OD1-N 2.94Å; D108-S110 PolarHBondContact OD1-OG 2.99Å; D108-S110 PolarHBondContact OD2-OG 3.49Å
111	F	34.3	Very low	49.4	Very low	151 Å²	151	85.6 Å²	85.6	66%	0.662	44%	0.444	S	S	*	.			trans	-106.9	64	175.9	-103.6	-94.6	0	0	0	113.3	A109	A109-F111 VanDerWaalsContact C-N 3.3Å; A109-F111 PolarHBondContact O-N 3.18Å
112	S	31.9	Very low	47.7	Very low	76 Å²	76	89.5 Å²	89.5	53%	0.531	46%	0.462	S	S	.	.	S	Bend	trans	-137.4	118.5	162.6	-178.1	0	0	0	0	109
113	N	32.7	Very low	46.3	Very low	147 Å²	147	92.9 Å²	92.9	79%	0.786	48%	0.48	S	S	*	.	S	Bend	trans	67.1	91.9	177.1	-58.5	-13.1	0	0	0	117.3
114	V	30.5	Very low	45.5	Very low	125 Å²	125	93.7 Å²	93.7	76%	0.758	48%	0.483	S	S	*	.	S	Bend	trans	48.7	121.4	143.8	-155.7	0	0	0	0	118.4
115	Y	27.8	Very low	45.1	Very low	200 Å²	200	98.9 Å²	98.9	78%	0.784	50%	0.502	S	S	*	.			trans	87.7	111.2	178.9	-66.5	-79.2	0	0	0	117.7	H117	Y115-H117 PolarHBondContact O-N 2.92Å
116	P	29.3	Very low	45.4	Very low	101 Å²	101	96.6 Å²	96.6	66%	0.656	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	53.7	-170.4	38.2	-38.5	0	0	0	114
117	H	30.5	Very low	46.3	Very low	136 Å²	136	96.4 Å²	96.4	63%	0.63	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-8.4	-171.3	-64.1	-49	0	0	0	117.8	Y115	Y115-H117 PolarHBondContact O-N 2.92Å
118	F	34.4	Very low	47.9	Very low	182 Å²	182	95 Å²	95	80%	0.798	48%	0.48	S	S	*	.			trans	-119	66.5	-173.8	-92	-88.2	0	0	0	115.9	K120	F118-K120 PolarHBondContact O-N 3.02Å; F118-K120 VanDerWaalsContact O-N 3.07Å
119	V	43	Very low	49.7	Very low	43 Å²	43	93.6 Å²	93.6	26%	0.261	47%	0.472	S	S	.	.			trans	-65.7	104.9	148.6	-170.8	0	0	0	0	107.2	K121 T155 R159	V119-K121 PolarHBondContact O-N 2.85Å; V119-T155 HydrophobicContact CB-CG2 4.29Å; V119-T155 HydrophobicContact CG1-CG2 3.61Å; V119-R159 PolarHBondContact O-NH1 3.36Å; V119-R159 VanDerWaalsContact O-NH1 3.12Å; V119-R159 PolarHBondContact O-NH2 2.58Å
120	K	39.2	Very low	51.9	Low	114 Å²	114	92 Å²	92	50%	0.496	46%	0.456	S	S	.	.			trans	-53.8	127.4	-180	-78.3	-174.5	176.2	-179.3	0	109.3	Q60 F118 Q122	Q60-K120 PolarHBondContact O-NZ 2.86Å; F118-K120 PolarHBondContact O-N 3.02Å; F118-K120 VanDerWaalsContact O-N 3.07Å; K120-Q122 VanDerWaalsContact C-N 3.34Å; K120-Q122 PolarHBondContact O-N 2.82Å
121	K	45.1	Very low	54.2	Low	156 Å²	156	89 Å²	89	68%	0.678	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.7	-145.9	-90.7	174.5	174.3	175.8	0	118	V119	V119-K121 PolarHBondContact O-N 2.85Å
122	Q	50.3	Low	56.6	Low	126 Å²	126	84.3 Å²	84.3	59%	0.589	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	2.2	-169.2	-66.2	-164.5	-7.5	0	0	117.2	K120 R125	K120-Q122 VanDerWaalsContact C-N 3.34Å; K120-Q122 PolarHBondContact O-N 2.82Å; Q122-R125 PolarHBondContact O-NE 2.76Å
123	N	57.6	Low	59.1	Low	70 Å²	70	85.4 Å²	85.4	37%	0.374	40%	0.404	S	S	.	.			trans	-113.1	0.2	-153.7	-65	67.9	0	0	0	116.3	Q56 L58	Q56-N123 VanDerWaalsContact O-O 3.11Å; L58-N123 HydrophobicContact CB-CB 4.47Å; L58-N123 PolarHBondContact N-O 3.2Å
124	N	64.3	Low	61.4	Low	43 Å²	43	82.9 Å²	82.9	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	100.2	170.6	-68.6	1.6	0	0	0	108.5	N153 L154	N124-N153 PolarHBondContact O-OD1 3.35Å; N124-L154 HydrophobicContact CB-CB 4.02Å; N124-L154 WeakPolarHBondContact O-CB 3.4Å; N124-L154 PolarHBondContact O-N 2.79Å
125	R	70.4	Confident	63.3	Low	111 Å²	111	85.3 Å²	85.3	42%	0.419	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.8	179.8	-61.3	-176.4	-173.7	-170.8	0.4	110.6	Q56 Q122 I152	Q56-R125 PolarHBondContact N-O 2.95Å; Q56-R125 PolarHBondContact O-N 3Å; Q122-R125 PolarHBondContact O-NE 2.76Å; R125-I152 CarbonylContact C-O 3.53Å; R125-I152 VanDerWaalsContact CA-O 3.31Å; R125-I152 WeakPolarHBondContact CA-O 3.31Å
126	L	78.1	Confident	65.3	Low	1 Å²	1	80.6 Å²	80.6	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.8	170.1	-176.3	59.7	0	0	0	107.6	W15 L31 V53 L55 L104 I152 L154	W15-L126 HydrophobicContact CH2-CD1 4.01Å; W15-L126 HydrophobicContact CZ3-CD1 4Å; L31-L126 HydrophobicContact CD1-CD2 3.63Å; L31-L126 HydrophobicContact CD1-CG 4.27Å; L31-L126 HydrophobicContact CG-CD2 4.27Å; V53-L126 HydrophobicContact CG1-CD1 3.49Å; V53-L126 VanDerWaalsContact CG1-CD1 3.49Å; V53-L126 HydrophobicContact CG1-CD2 4.48Å; V53-L126 HydrophobicContact CG1-CG 4.01Å; L55-L126 HydrophobicContact CD1-CD1 3.99Å; L104-L126 HydrophobicContact CD1-CD1 3.86Å; L104-L126 HydrophobicContact CD1-CD2 3.88Å; L126-I152 HydrophobicContact CB-CB 4.15Å; L126-I152 PolarHBondContact N-O 3.29Å; L126-I152 WeakPolarHBondContact O-CB 3.21Å; L126-I152 PolarHBondContact O-N 3.08Å; L126-L154 HydrophobicContact CB-CD1 4.11Å; L126-L154 HydrophobicContact CB-CD2 3.77Å; L126-L154 HydrophobicContact CB-CG 3.95Å; L126-L154 HydrophobicContact CD2-CD2 4.1Å
127	L	82.6	Confident	67.3	Low	26 Å²	26	85.8 Å²	85.8	14%	0.136	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.1	-178.6	-59.3	178.8	0	0	0	109.2	V53 K54 M129 V149 G150 A151	V53-L127 CarbonylContact C-O 3.53Å; V53-L127 VanDerWaalsContact CA-O 3.32Å; V53-L127 WeakPolarHBondContact CA-O 3.36Å; K54-L127 HydrophobicContact CB-CB 4.39Å; K54-L127 HydrophobicContact CD-CD1 4.48Å; K54-L127 PolarHBondContact N-O 3.31Å; K54-L127 PolarHBondContact O-N 3.43Å; L127-M129 HydrophobicContact CB-CG 4.4Å; L127-V149 HydrophobicContact CB-CG1 4.5Å; L127-V149 HydrophobicContact CD2-CG1 4.23Å; L127-G150 WeakPolarHBondContact CA-O 3.32Å; L127-A151 HydrophobicContact CD2-CB 3.72Å
128	V	87.6	Confident	69.2	Low	12 Å²	12	86.2 Å²	86.2	7%	0.073	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	167.7	-179.1	0	0	0	0	106.9	L31 F33 I51 A52 V149 G150 I152	L31-V128 HydrophobicContact CD1-CG2 4.3Å; F33-V128 HydrophobicContact CE1-CG1 3.69Å; F33-V128 HydrophobicContact CZ-CB 4.36Å; F33-V128 HydrophobicContact CZ-CG1 3.48Å; F33-V128 VanDerWaalsContact CZ-CG1 3.48Å; F33-V128 HydrophobicContact CZ-CG2 3.89Å; I51-V128 HydrophobicContact CG2-CG1 4.44Å; A52-V128 CarbonylContact O-C 3.5Å; A52-V128 WeakPolarHBondContact O-CA 3.43Å; V128-V149 CarbonylContact O-C 3.52Å; V128-V149 WeakPolarHBondContact O-CA 3.49Å; V128-G150 PolarHBondContact N-O 3.08Å; V128-G150 PolarHBondContact O-N 3.38Å; V128-I152 HydrophobicContact CG2-CD1 3.82Å
129	M	87.8	Confident	70.7	Confident	17 Å²	17	85.5 Å²	85.5	8%	0.084	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.5	-172.6	-58.3	174.1	-74.1	0	0	109.7	A52 K54 T79 L127 Q131 T146 A148 V149	A52-M129 HydrophobicContact CB-CB 4.23Å; A52-M129 HydrophobicContact CB-CE 4.04Å; A52-M129 PolarHBondContact N-O 2.68Å; A52-M129 PolarHBondContact O-N 2.9Å; K54-M129 HydrophobicContact CB-CE 3.65Å; K54-M129 HydrophobicContact CD-CE 4.37Å; T79-M129 HydrophobicContact CG2-CE 3.57Å; L127-M129 HydrophobicContact CB-CG 4.4Å; M129-Q131 HydrophobicContact CB-CG 4.06Å; M129-T146 HydrophobicContact CB-CG2 4.19Å; M129-A148 CarbonylContact C-O 3.47Å; M129-A148 WeakPolarHBondContact CA-O 3.49Å; M129-V149 HydrophobicContact CG-CG1 4.1Å; M129-V149 HydrophobicContact CG-CG2 4.07Å
130	L	90	Very high	71.5	Confident	24 Å²	24	89.7 Å²	89.7	13%	0.126	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127	165.7	-170.7	67.1	0	0	0	107.7	L36 I38 L49 I51 L147 A148	L36-L130 HydrophobicContact CD2-CD1 3.96Å; I38-L130 HydrophobicContact CD1-CD2 3.93Å; L49-L130 HydrophobicContact CB-CD1 4.13Å; L49-L130 HydrophobicContact CD1-CD1 4.19Å; L49-L130 HydrophobicContact CD1-CD2 4.25Å; I51-L130 HydrophobicContact CG1-CD1 4.29Å; L130-L147 PolarHBondContact O-N 3.22Å; L130-A148 HydrophobicContact CB-CB 4.12Å; L130-A148 PolarHBondContact N-O 3.34Å; L130-A148 PolarHBondContact O-N 3.28Å
131	Q	90.1	Very high	72.4	Confident	8 Å²	8	92 Å²	92	4%	0.037	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.2	-173.7	-50.5	-159.9	-56.6	0	0	111.9	L49 V50 A52 M129 Y144 K145 T146	L49-Q131 CarbonylContact C-O 3.54Å; V50-Q131 HydrophobicContact CB-CB 4.45Å; V50-Q131 PolarHBondContact N-O 3.21Å; V50-Q131 PolarHBondContact O-N 3.34Å; A52-Q131 HydrophobicContact CB-CG 4.06Å; M129-Q131 HydrophobicContact CB-CG 4.06Å; Q131-Y144 HydrophobicContact CB-CD1 4.11Å; Q131-K145 CarbonylContact C-O 3.57Å; Q131-K145 WeakPolarHBondContact CA-O 3.48Å; Q131-T146 PolarHBondContact NE2-OG1 3.05Å
132	R	86.5	Confident	73.4	Confident	53 Å²	53	88.8 Å²	88.8	20%	0.2	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.4	167.6	-170.2	176.6	83.8	-152.6	6.6	109.1	E43 Y144 K145 L147	E43-R132 IonicContact OE2-CZ 3.65Å; E43-R132 IonicContact OE2-NH1 2.58Å; E43-R132 PolarHBondContact OE2-NH1 2.82Å; E43-R132 IonicContact OE2-NH2 3.11Å; R132-Y144 CarbonylContact O-C 3.55Å; R132-Y144 WeakPolarHBondContact O-CA 3.38Å; R132-K145 PolarHBondContact N-O 3.3Å; R132-K145 PolarHBondContact O-N 3.42Å; R132-L147 HydrophobicContact CB-CD1 4.22Å; R132-L147 HydrophobicContact CB-CD2 4.32Å; R132-L147 HydrophobicContact CB-CG 4.34Å
133	R	84.3	Confident	74.9	Confident	98 Å²	98	83.6 Å²	83.6	37%	0.37	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	138.8	170.1	-76.7	-174.6	175.7	160.3	-0.4	110.6	D84 L142 Y144	D84-R133 WeakPolarHBondContact OD1-CD 3.34Å; D84-R133 IonicContact OD1-CZ 3.71Å; D84-R133 IonicContact OD1-NE 2.92Å; D84-R133 PolarHBondContact OD1-NE 2.85Å; D84-R133 VanDerWaalsContact OD1-NE 3.11Å; D84-R133 IonicContact OD1-NH1 2.69Å; D84-R133 PolarHBondContact OD1-NH1 2.93Å; D84-R133 IonicContact OD1-NH2 3.83Å; D84-R133 WeakPolarHBondContact OD2-CD 3.35Å; D84-R133 IonicContact OD2-CZ 3.46Å; D84-R133 IonicContact OD2-NE 2.73Å; D84-R133 IonicContact OD2-NH1 2.83Å; D84-R133 PolarHBondContact OD2-NH1 3.13Å; R133-L142 HydrophobicContact CB-CD2 4.45Å; R133-Y144 HydrophobicContact CG-CD1 3.98Å; R133-Y144 HydrophobicContact CG-CE1 3.46Å; R133-Y144 VanDerWaalsContact CG-CE1 3.46Å; R133-Y144 PolarHBondContact NE-OH 2.82Å; R133-Y144 VanDerWaalsContact NE-OH 3.11Å; R133-Y144 PolarHBondContact NH2-OH 2.88Å
134	K	79.3	Confident	76.3	Confident	94 Å²	94	83.5 Å²	83.5	41%	0.409	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.6	176.5	-175.1	177	178.2	-178.4	0	109.3	Y136 G143	K134-Y136 HydrophobicContact CD-CE1 3.87Å; K134-Y136 HydrophobicContact CG-CE1 4.4Å; K134-G143 PolarHBondContact N-O 2.77Å; K134-G143 PolarHBondContact O-N 2.83Å
135	K	70.6	Confident	77.4	Confident	176 Å²	176	84.9 Å²	84.9	77%	0.765	39%	0.391	S	S	*	.			trans	-79	124.7	169.5	-166.4	173.7	-177.4	178.6	0	108.4	L142	K135-L142 HydrophobicContact CB-CG 4.48Å
136	Y	70.3	Confident	78.2	Confident	101 Å²	101	82.4 Å²	82.4	40%	0.396	39%	0.388	S	S	.	.			trans	-91.4	136.5	171	-68.9	-70.9	0	0	0	108.8	K134 N138 R139	K134-Y136 HydrophobicContact CD-CE1 3.87Å; K134-Y136 HydrophobicContact CG-CE1 4.4Å; Y136-N138 PolarHBondContact O-N 2.99Å; Y136-N138 VanDerWaalsContact O-N 3.13Å; Y136-R139 PolarHBondContact O-N 3.01Å
137	K	70.6	Confident	78.5	Confident	210 Å²	210	84.9 Å²	84.9	91%	0.913	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32	-173.2	-163.9	178.5	-179.7	-176.6	0	113
138	N	70.9	Confident	78.7	Confident	145 Å²	145	85.1 Å²	85.1	78%	0.775	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	23	-170.9	-57.3	1	0	0	0	113.7	Y136	Y136-N138 PolarHBondContact O-N 2.99Å; Y136-N138 VanDerWaalsContact O-N 3.13Å
139	R	66	Low	78.5	Confident	167 Å²	167	87.5 Å²	87.5	63%	0.63	42%	0.421	S	S	*	.			trans	-135.8	132.7	172.8	-69.5	-172.3	176.1	-170.3	-3.4	110.6	Y136 M141	Y136-R139 PolarHBondContact O-N 3.01Å; R139-M141 PolarHBondContact O-N 2.9Å
140	P	59.6	Low	78.1	Confident	132 Å²	132	87.2 Å²	87.2	86%	0.857	42%	0.422	S	S	*	.	S	Bend	trans	-68.5	-24	179.8	27	-34.3	0	0	0	112.8
141	M	58.7	Low	77.5	Confident	161 Å²	161	88.7 Å²	88.7	79%	0.793	44%	0.438	S	S	*	.	S	Bend	trans	-85.1	122.6	175.4	-68.8	-162.7	165.9	0	0	111.9	R139 G143	R139-M141 PolarHBondContact O-N 2.9Å; M141-G143 PolarHBondContact O-N 2.78Å
142	L	65.6	Low	76.7	Confident	90 Å²	90	88.9 Å²	88.9	47%	0.471	44%	0.439	S	S	.	.			trans	-64.4	130.3	168.2	-80.2	75.2	0	0	0	109.7	R133 K135	R133-L142 HydrophobicContact CB-CD2 4.45Å; K135-L142 HydrophobicContact CB-CG 4.48Å
143	G	81.3	Confident	75.9	Confident	17 Å²	17	88.3 Å²	88.3	18%	0.175	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	179.2	170	0	0	0	0	0	112.5	K134 M141	K134-G143 PolarHBondContact N-O 2.77Å; K134-G143 PolarHBondContact O-N 2.83Å; M141-G143 PolarHBondContact O-N 2.78Å
144	Y	86.6	Confident	75.1	Confident	67 Å²	67	84.7 Å²	84.7	26%	0.263	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126	175.5	-67.4	-94.5	0	0	0	109	V50 Q131 R132 R133	V50-Y144 HydrophobicContact CB-CE1 4.45Å; V50-Y144 HydrophobicContact CG1-CE1 4.27Å; V50-Y144 HydrophobicContact CG2-CE1 4.25Å; Q131-Y144 HydrophobicContact CB-CD1 4.11Å; R132-Y144 CarbonylContact O-C 3.55Å; R132-Y144 WeakPolarHBondContact O-CA 3.38Å; R133-Y144 HydrophobicContact CG-CD1 3.98Å; R133-Y144 HydrophobicContact CG-CE1 3.46Å; R133-Y144 VanDerWaalsContact CG-CE1 3.46Å; R133-Y144 PolarHBondContact NE-OH 2.82Å; R133-Y144 VanDerWaalsContact NE-OH 3.11Å; R133-Y144 PolarHBondContact NH2-OH 2.88Å
145	K	87.5	Confident	73.9	Confident	73 Å²	73	80.2 Å²	80.2	32%	0.317	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.4	165.1	178.9	-179.8	172.6	-178.7	0	107.1	E43 Q131 R132 L147	E43-K145 IonicContact OE1-NZ 3.54Å; E43-K145 PolarHBondContact OE1-NZ 3.34Å; E43-K145 IonicContact OE2-NZ 3.7Å; E43-K145 PolarHBondContact OE2-NZ 3.21Å; Q131-K145 CarbonylContact C-O 3.57Å; Q131-K145 WeakPolarHBondContact CA-O 3.48Å; R132-K145 PolarHBondContact N-O 3.3Å; R132-K145 PolarHBondContact O-N 3.42Å; K145-L147 HydrophobicContact CD-CD2 4.25Å; K145-L147 HydrophobicContact CG-CD2 4.23Å
146	T	87.3	Confident	73.1	Confident	58 Å²	58	75.3 Å²	75.3	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.7	170.9	-56.6	0	0	0	0	109.2	M129 Q131 A148 V149	M129-T146 HydrophobicContact CB-CG2 4.19Å; Q131-T146 PolarHBondContact NE2-OG1 3.05Å; T146-A148 WeakPolarHBondContact CG2-O 3.4Å; T146-V149 HydrophobicContact CG2-CG2 3.44Å; T146-V149 VanDerWaalsContact CG2-CG2 3.44Å
147	L	85.9	Confident	72.1	Confident	54 Å²	54	72.2 Å²	72.2	28%	0.283	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-34.1	178.6	-55.3	-175.4	0	0	0	112.1	L42 L49 L130 R132 K145	L42-L147 HydrophobicContact CD1-CD1 4.11Å; L49-L147 HydrophobicContact CD2-CD1 3.48Å; L49-L147 VanDerWaalsContact CD2-CD1 3.48Å; L130-L147 PolarHBondContact O-N 3.22Å; R132-L147 HydrophobicContact CB-CD1 4.22Å; R132-L147 HydrophobicContact CB-CD2 4.32Å; R132-L147 HydrophobicContact CB-CG 4.34Å; K145-L147 HydrophobicContact CD-CD2 4.25Å; K145-L147 HydrophobicContact CG-CD2 4.23Å
148	A	85.5	Confident	70.9	Confident	30 Å²	30	64.9 Å²	64.9	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.9	176.1	0	0	0	0	0	110.7	M129 L130 T146	M129-A148 CarbonylContact C-O 3.47Å; M129-A148 WeakPolarHBondContact CA-O 3.49Å; L130-A148 HydrophobicContact CB-CB 4.12Å; L130-A148 PolarHBondContact N-O 3.34Å; L130-A148 PolarHBondContact O-N 3.28Å; T146-A148 WeakPolarHBondContact CG2-O 3.4Å
149	V	84.6	Confident	69.3	Low	63 Å²	63	60.8 Å²	60.8	38%	0.382	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.2	175	-173.5	0	0	0	0	110.1	L127 V128 M129 T146 S181	L127-V149 HydrophobicContact CB-CG1 4.5Å; L127-V149 HydrophobicContact CD2-CG1 4.23Å; V128-V149 CarbonylContact O-C 3.52Å; V128-V149 WeakPolarHBondContact O-CA 3.49Å; M129-V149 HydrophobicContact CG-CG1 4.1Å; M129-V149 HydrophobicContact CG-CG2 4.07Å; T146-V149 HydrophobicContact CG2-CG2 3.44Å; T146-V149 VanDerWaalsContact CG2-CG2 3.44Å; V149-S181 WeakPolarHBondContact O-CB 3.48Å; V149-S181 PolarHBondContact O-OG 3.42Å
150	G	79.1	Confident	67.7	Low	10 Å²	10	57 Å²	57	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.2	161	0	0	0	0	0	110.3	L127 V128	L127-G150 WeakPolarHBondContact CA-O 3.32Å; V128-G150 PolarHBondContact N-O 3.08Å; V128-G150 PolarHBondContact O-N 3.38Å
151	A	77.7	Confident	66.5	Low	56 Å²	56	55.8 Å²	55.8	46%	0.463	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.4	176.8	0	0	0	0	0	110.8	L127	L127-A151 HydrophobicContact CD2-CB 3.72Å
152	I	73.6	Confident	65	Low	11 Å²	11	55.3 Å²	55.3	6%	0.056	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.1	178.5	-61.4	170.6	0	0	0	108	L31 R125 L126 V128 L154 E157 F170 L174	L31-I152 HydrophobicContact CD1-CD1 4.41Å; L31-I152 HydrophobicContact CD2-CD1 4.07Å; R125-I152 CarbonylContact C-O 3.53Å; R125-I152 VanDerWaalsContact CA-O 3.31Å; R125-I152 WeakPolarHBondContact CA-O 3.31Å; L126-I152 HydrophobicContact CB-CB 4.15Å; L126-I152 PolarHBondContact N-O 3.29Å; L126-I152 WeakPolarHBondContact O-CB 3.21Å; L126-I152 PolarHBondContact O-N 3.08Å; V128-I152 HydrophobicContact CG2-CD1 3.82Å; I152-L154 HydrophobicContact CG2-CD2 4.19Å; I152-L154 PolarHBondContact O-N 2.86Å; I152-E157 HydrophobicContact CG2-CG 4.31Å; I152-E157 WeakPolarHBondContact CG2-OE1 3.34Å; I152-F170 HydrophobicContact CG2-CE2 4.04Å; I152-F170 HydrophobicContact CG2-CZ 3.98Å; I152-L174 HydrophobicContact CD1-CD1 3.77Å; I152-L174 HydrophobicContact CG1-CD1 3.81Å
153	N	69.2	Low	63.2	Low	41 Å²	41	59.8 Å²	59.8	22%	0.219	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	97.4	178.3	-173.5	9.3	0	0	0	111.2	N124 T155 D156 E157	N124-N153 PolarHBondContact O-OD1 3.35Å; N153-T155 PolarHBondContact O-N 3.41Å; N153-T155 VanDerWaalsContact O-N 3.16Å; N153-T155 VanDerWaalsContact OD1-CB 3.27Å; N153-T155 WeakPolarHBondContact OD1-CB 3.43Å; N153-T155 PolarHBondContact OD1-N 2.79Å; N153-T155 VanDerWaalsContact OD1-N 3.11Å; N153-D156 HydrophobicContact CB-CB 4.29Å; N153-D156 VanDerWaalsContact ND2-CG 3.26Å; N153-D156 PolarHBondContact ND2-OD2 3.3Å; N153-D156 PolarHBondContact O-N 2.91Å; N153-E157 PolarHBondContact O-N 2.79Å
154	L	66.4	Low	60.7	Low	23 Å²	23	62.7 Å²	62.7	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-21.3	177.9	-56.4	-176.6	0	0	0	112.7	L55 N124 L126 I152 E157 L158	L55-L154 HydrophobicContact CD1-CD1 3.4Å; N124-L154 HydrophobicContact CB-CB 4.02Å; N124-L154 WeakPolarHBondContact O-CB 3.4Å; N124-L154 PolarHBondContact O-N 2.79Å; L126-L154 HydrophobicContact CB-CD1 4.11Å; L126-L154 HydrophobicContact CB-CD2 3.77Å; L126-L154 HydrophobicContact CB-CG 3.95Å; L126-L154 HydrophobicContact CD2-CD2 4.1Å; I152-L154 HydrophobicContact CG2-CD2 4.19Å; I152-L154 PolarHBondContact O-N 2.86Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.36Å; L154-E157 PolarHBondContact O-N 2.95Å; L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 2.84Å
155	T	55.7	Low	58	Low	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-37.7	172.2	-59.8	0	0	0	0	111.9	V119 N153 R159	V119-T155 HydrophobicContact CB-CG2 4.29Å; V119-T155 HydrophobicContact CG1-CG2 3.61Å; N153-T155 PolarHBondContact O-N 3.41Å; N153-T155 VanDerWaalsContact O-N 3.16Å; N153-T155 VanDerWaalsContact OD1-CB 3.27Å; N153-T155 WeakPolarHBondContact OD1-CB 3.43Å; N153-T155 PolarHBondContact OD1-N 2.79Å; N153-T155 VanDerWaalsContact OD1-N 3.11Å; T155-R159 WeakPolarHBondContact O-CB 3.43Å; T155-R159 WeakPolarHBondContact O-CG 3.05Å; T155-R159 PolarHBondContact O-N 2.91Å; T155-R159 VanDerWaalsContact O-N 3.11Å
156	D	52.6	Low	55.1	Low	73 Å²	73	75.3 Å²	75.3	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-74.6	-31.9	172.8	-70	-37.2	0	0	0	111	N153 R160	N153-D156 HydrophobicContact CB-CB 4.29Å; N153-D156 VanDerWaalsContact ND2-CG 3.26Å; N153-D156 PolarHBondContact ND2-OD2 3.3Å; N153-D156 PolarHBondContact O-N 2.91Å; D156-R160 WeakPolarHBondContact O-CA 3.36Å; D156-R160 WeakPolarHBondContact O-CB 3.18Å; D156-R160 WeakPolarHBondContact O-CD 3.34Å; D156-R160 WeakPolarHBondContact O-CG 3.35Å; D156-R160 PolarHBondContact O-N 2.78Å
157	E	50	Low	52.3	Low	35 Å²	35	74.2 Å²	74.2	16%	0.164	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-45.4	173.1	-63.4	-170.9	159.8	0	0	113.1	I152 N153 L154 R159 R160 F161 F170	I152-E157 HydrophobicContact CG2-CG 4.31Å; I152-E157 WeakPolarHBondContact CG2-OE1 3.34Å; N153-E157 PolarHBondContact O-N 2.79Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.36Å; L154-E157 PolarHBondContact O-N 2.95Å; E157-R159 VanDerWaalsContact C-N 3.33Å; E157-R159 PolarHBondContact O-N 3.04Å; E157-R160 CarbonylContact O-C 3.55Å; E157-R160 PolarHBondContact O-N 2.81Å; E157-F161 WeakPolarHBondContact O-CB 3.33Å; E157-F161 WeakPolarHBondContact O-CD2 3.43Å; E157-F161 PolarHBondContact O-N 2.76Å; E157-F170 HydrophobicContact CG-CE2 4.27Å; E157-F170 WeakPolarHBondContact OE1-CE2 2.94Å; E157-F170 WeakPolarHBondContact OE1-CZ 2.91Å
158	L	45.8	Very low	49.9	Very low	57 Å²	57	74.3 Å²	74.3	30%	0.298	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-36.1	177.2	-73.9	165.7	0	0	0	111.3	L154 F161	L154-L158 WeakPolarHBondContact O-CB 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.39Å; L154-L158 PolarHBondContact O-N 2.84Å; L158-F161 WeakPolarHBondContact O-CB 3.09Å; L158-F161 PolarHBondContact O-N 3.33Å
159	R	36.5	Very low	47.5	Very low	58 Å²	58	76.9 Å²	76.9	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-74.2	-32.5	170.8	-75.5	-170	171.5	107.6	2.2	113.2	V119 T155 E157 F161 L162 R163	V119-R159 PolarHBondContact O-NH1 3.36Å; V119-R159 VanDerWaalsContact O-NH1 3.12Å; V119-R159 PolarHBondContact O-NH2 2.58Å; T155-R159 WeakPolarHBondContact O-CB 3.43Å; T155-R159 WeakPolarHBondContact O-CG 3.05Å; T155-R159 PolarHBondContact O-N 2.91Å; T155-R159 VanDerWaalsContact O-N 3.11Å; E157-R159 VanDerWaalsContact C-N 3.33Å; E157-R159 PolarHBondContact O-N 3.04Å; R159-F161 VanDerWaalsContact C-N 3.31Å; R159-L162 CarbonylContact O-C 3.6Å; R159-L162 PolarHBondContact O-N 3.46Å; R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 WeakPolarHBondContact O-CG 3.37Å; R159-R163 PolarHBondContact O-N 2.83Å
160	R	33.6	Very low	45.2	Very low	87 Å²	87	77.2 Å²	77.2	33%	0.328	37%	0.365	S	S	.	.	H	α-helix	trans	-70	-28.8	170.1	-78.7	166.3	164.5	153.6	-9.1	111.4	D156 E157 L162 R163 F164 D169	D156-R160 WeakPolarHBondContact O-CA 3.36Å; D156-R160 WeakPolarHBondContact O-CB 3.18Å; D156-R160 WeakPolarHBondContact O-CD 3.34Å; D156-R160 WeakPolarHBondContact O-CG 3.35Å; D156-R160 PolarHBondContact O-N 2.78Å; E157-R160 CarbonylContact O-C 3.55Å; E157-R160 PolarHBondContact O-N 2.81Å; R160-L162 PolarHBondContact O-N 3.24Å; R160-R163 CarbonylContact O-C 3.58Å; R160-R163 PolarHBondContact O-N 3.32Å; R160-F164 WeakPolarHBondContact O-CA 3.41Å; R160-F164 WeakPolarHBondContact O-CB 3.28Å; R160-F164 WeakPolarHBondContact O-CD2 3.33Å; R160-F164 WeakPolarHBondContact O-CG 3.46Å; R160-F164 PolarHBondContact O-N 3.11Å; R160-D169 IonicContact NH2-OD2 2.69Å
161	F	33.5	Very low	43.3	Very low	108 Å²	108	79.5 Å²	79.5	47%	0.474	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-31.1	169.3	-110.4	-92.8	0	0	0	112.3	E157 L158 R159 F164 R479	E157-F161 WeakPolarHBondContact O-CB 3.33Å; E157-F161 WeakPolarHBondContact O-CD2 3.43Å; E157-F161 PolarHBondContact O-N 2.76Å; L158-F161 WeakPolarHBondContact O-CB 3.09Å; L158-F161 PolarHBondContact O-N 3.33Å; R159-F161 VanDerWaalsContact C-N 3.31Å; F161-F164 VanDerWaalsContact CA-CD2 3.49Å; F161-F164 HydrophobicContact CB-CE2 4.43Å; F161-F164 HydrophobicContact CD1-CE2 4.49Å; F161-F164 AromaticContact CD2-CE2 3.89Å; F161-F164 HydrophobicContact CD2-CE2 3.89Å; F161-F164 HydrophobicContact CE2-CE2 4.3Å; F161-F164 HydrophobicContact CG-CD2 4.43Å; F161-F164 HydrophobicContact CG-CE2 4.01Å; F161-R479 VanDerWaalsContact CE1-CZ 3.42Å; F161-R479 VanDerWaalsContact CZ-CZ 3.5Å; F161-R479 VanDerWaalsContact CZ-NH2 3.35Å
162	L	28.3	Very low	41.2	Very low	151 Å²	151	79.4 Å²	79.4	79%	0.791	37%	0.369	S	S	*	.	H	α-helix	trans	-96.5	-19.3	172.7	-70.5	163.2	0	0	0	113.9	R159 R160	R159-L162 CarbonylContact O-C 3.6Å; R159-L162 PolarHBondContact O-N 3.46Å; R160-L162 PolarHBondContact O-N 3.24Å
163	R	26.4	Very low	39.2	Very low	183 Å²	183	81.5 Å²	81.5	69%	0.691	39%	0.385	S	S	*	.	H	α-helix	trans	-101.3	16.4	175.9	-68.1	178.2	172	-176.3	-3.9	113.8	R159 R160 Y165 K166	R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 WeakPolarHBondContact O-CG 3.37Å; R159-R163 PolarHBondContact O-N 2.83Å; R160-R163 CarbonylContact O-C 3.58Å; R160-R163 PolarHBondContact O-N 3.32Å; R163-Y165 PolarHBondContact O-N 3.28Å; R163-K166 PolarHBondContact O-N 2.88Å
164	F	29.7	Very low	37.6	Very low	78 Å²	78	81.8 Å²	81.8	34%	0.342	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.1	-172.7	-102.3	-50.8	0	0	0	114.8	R160 F161 K166	R160-F164 WeakPolarHBondContact O-CA 3.41Å; R160-F164 WeakPolarHBondContact O-CB 3.28Å; R160-F164 WeakPolarHBondContact O-CD2 3.33Å; R160-F164 WeakPolarHBondContact O-CG 3.46Å; R160-F164 PolarHBondContact O-N 3.11Å; F161-F164 VanDerWaalsContact CA-CD2 3.49Å; F161-F164 HydrophobicContact CB-CE2 4.43Å; F161-F164 HydrophobicContact CD1-CE2 4.49Å; F161-F164 AromaticContact CD2-CE2 3.89Å; F161-F164 HydrophobicContact CD2-CE2 3.89Å; F161-F164 HydrophobicContact CE2-CE2 4.3Å; F161-F164 HydrophobicContact CG-CD2 4.43Å; F161-F164 HydrophobicContact CG-CE2 4.01Å; F164-K166 PolarHBondContact O-N 3.07Å; F164-K166 VanDerWaalsContact O-N 3.14Å
165	Y	28.6	Very low	36.1	Very low	206 Å²	206	84.3 Å²	84.3	81%	0.808	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-7.9	168.2	-73	-80.7	0	0	0	115.8	R163	R163-Y165 PolarHBondContact O-N 3.28Å
166	K	27.2	Very low	35	Very low	200 Å²	200	87.3 Å²	87.3	87%	0.87	42%	0.423	S	S	*	.	S	Bend	trans	-133.7	-11.4	-171.1	-83.5	-165.9	173.6	-175.9	0	120.8	R163 F164	R163-K166 PolarHBondContact O-N 2.88Å; F164-K166 PolarHBondContact O-N 3.07Å; F164-K166 VanDerWaalsContact O-N 3.14Å
167	A	28.5	Very low	34	Very low	35 Å²	35	85.8 Å²	85.8	29%	0.289	42%	0.42	S	S	.	.			trans	-158	144.9	-173.4	0	0	0	0	0	116.5	D169	A167-D169 HydrophobicContact CB-CB 4.42Å; A167-D169 VanDerWaalsContact CB-CG 3.46Å; A167-D169 WeakPolarHBondContact CB-OD1 3.38Å; A167-D169 VanDerWaalsContact CB-OD2 3.31Å; A167-D169 WeakPolarHBondContact CB-OD2 3.42Å
168	L	35.1	Very low	33.1	Very low	55 Å²	55	87.6 Å²	87.6	29%	0.288	43%	0.43	S	S	.	.			trans	-110	16.3	167.4	-101.8	154.9	0	0	0	112.4	F170 C456 L458 K476	L168-F170 PolarHBondContact O-N 3.12Å; L168-C456 HydrophobicContact CB-CB 4.16Å; L168-C456 WeakPolarHBondContact CB-SG 3.2Å; L168-C456 HydrophobicContact CD1-CB 3.87Å; L168-C456 WeakPolarHBondContact CD1-SG 3.49Å; L168-L458 HydrophobicContact CD2-CD1 4.35Å; L168-L458 HydrophobicContact CD2-CD2 4.34Å; L168-K476 VanDerWaalsContact CD1-NZ 3.3Å; L168-K476 VanDerWaalsContact CG-NZ 3.26Å
169	D	36.2	Very low	32.4	Very low	85 Å²	85	89.8 Å²	89.8	46%	0.455	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-17.9	-179.1	-48.9	-15.4	0	0	0	115.7	R160 A167 V171 S173	R160-D169 IonicContact NH2-OD2 2.69Å; A167-D169 HydrophobicContact CB-CB 4.42Å; A167-D169 VanDerWaalsContact CB-CG 3.46Å; A167-D169 WeakPolarHBondContact CB-OD1 3.38Å; A167-D169 VanDerWaalsContact CB-OD2 3.31Å; A167-D169 WeakPolarHBondContact CB-OD2 3.42Å; D169-V171 PolarHBondContact O-N 2.79Å; D169-S173 WeakPolarHBondContact O-CA 3.38Å; D169-S173 WeakPolarHBondContact O-CB 3.4Å; D169-S173 PolarHBondContact O-N 2.82Å
170	F	36.1	Very low	32.2	Very low	70 Å²	70	91.3 Å²	91.3	31%	0.307	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-36.4	-169.8	-170.8	-108.4	0	0	0	113.5	I152 E157 L168 S173 L174	I152-F170 HydrophobicContact CG2-CE2 4.04Å; I152-F170 HydrophobicContact CG2-CZ 3.98Å; E157-F170 HydrophobicContact CG-CE2 4.27Å; E157-F170 WeakPolarHBondContact OE1-CE2 2.94Å; E157-F170 WeakPolarHBondContact OE1-CZ 2.91Å; L168-F170 PolarHBondContact O-N 3.12Å; F170-S173 PolarHBondContact O-N 2.78Å; F170-L174 HydrophobicContact CE1-CD1 4.08Å; F170-L174 HydrophobicContact CE2-CD1 4.2Å; F170-L174 HydrophobicContact CZ-CD1 3.64Å; F170-L174 PolarHBondContact O-N 2.87Å
171	V	38.2	Very low	32.1	Very low	58 Å²	58	88.9 Å²	88.9	35%	0.352	44%	0.444	S	S	.	.	H	α-helix	trans	-68.5	-49.4	178.4	-177.7	0	0	0	0	110.1	D169 S173 L174 C175 L458	D169-V171 PolarHBondContact O-N 2.79Å; V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 2.8Å; V171-L174 PolarHBondContact O-N 2.82Å; V171-L174 VanDerWaalsContact O-N 3.17Å; V171-C175 PolarHBondContact O-N 2.83Å; V171-L458 HydrophobicContact CB-CD2 3.98Å; V171-L458 HydrophobicContact CG1-CD2 4.46Å; V171-L458 HydrophobicContact CG2-CD2 3.93Å
172	N	33.8	Very low	32.1	Very low	54 Å²	54	85.8 Å²	85.8	29%	0.289	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-37.4	174	-71.4	4	0	0	0	111.2	T176 E451	N172-T176 WeakPolarHBondContact O-CB 3.26Å; N172-T176 PolarHBondContact O-N 3.45Å; N172-T176 PolarHBondContact O-OG1 3.05Å; N172-E451 PolarHBondContact ND2-OE1 3.25Å
173	S	32.1	Very low	32.3	Very low	55 Å²	55	84.6 Å²	84.6	39%	0.385	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-30.2	176.8	-172.9	0	0	0	0	113.1	D169 F170 V171 A177	D169-S173 WeakPolarHBondContact O-CA 3.38Å; D169-S173 WeakPolarHBondContact O-CB 3.4Å; D169-S173 PolarHBondContact O-N 2.82Å; F170-S173 PolarHBondContact O-N 2.78Å; V171-S173 VanDerWaalsContact C-N 3.28Å; V171-S173 PolarHBondContact O-N 2.8Å; S173-A177 WeakPolarHBondContact O-CB 3.23Å; S173-A177 PolarHBondContact O-N 3.48Å
174	L	35.8	Very low	32.5	Very low	46 Å²	46	83.5 Å²	83.5	24%	0.241	43%	0.425	C	S	.	.	H	α-helix	trans	-74.6	-48	177.9	-147	86	0	0	0	110.8	I152 F170 V171 T176 A177 M178	I152-L174 HydrophobicContact CD1-CD1 3.77Å; I152-L174 HydrophobicContact CG1-CD1 3.81Å; F170-L174 HydrophobicContact CE1-CD1 4.08Å; F170-L174 HydrophobicContact CE2-CD1 4.2Å; F170-L174 HydrophobicContact CZ-CD1 3.64Å; F170-L174 PolarHBondContact O-N 2.87Å; V171-L174 PolarHBondContact O-N 2.82Å; V171-L174 VanDerWaalsContact O-N 3.17Å; L174-T176 VanDerWaalsContact C-N 3.35Å; L174-T176 PolarHBondContact O-N 2.62Å; L174-A177 PolarHBondContact O-N 3.38Å; L174-M178 PolarHBondContact O-N 2.94Å
175	C	35.1	Very low	32.8	Very low	76 Å²	76	83.9 Å²	83.9	51%	0.514	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-44.9	175	-62.7	0	0	0	0	110.9	V171 M179	V171-C175 PolarHBondContact O-N 2.83Å; C175-M179 WeakPolarHBondContact O-CB 3.5Å; C175-M179 WeakPolarHBondContact O-CG 3.23Å; C175-M179 PolarHBondContact O-N 3.19Å
176	T	32.7	Very low	32.9	Very low	64 Å²	64	77.8 Å²	77.8	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-68.6	-36.2	177.8	-55.2	0	0	0	0	112.4	N172 L174 K180	N172-T176 WeakPolarHBondContact O-CB 3.26Å; N172-T176 PolarHBondContact O-N 3.45Å; N172-T176 PolarHBondContact O-OG1 3.05Å; L174-T176 VanDerWaalsContact C-N 3.35Å; L174-T176 PolarHBondContact O-N 2.62Å; T176-K180 HydrophobicContact CG2-CD 3.83Å; T176-K180 HydrophobicContact CG2-CG 4.14Å; T176-K180 VanDerWaalsContact O-CB 3.23Å; T176-K180 WeakPolarHBondContact O-CB 3.39Å; T176-K180 VanDerWaalsContact O-CG 3.26Å; T176-K180 WeakPolarHBondContact O-CG 3.44Å; T176-K180 PolarHBondContact O-N 2.99Å
177	A	30.2	Very low	32.9	Very low	40 Å²	40	76.7 Å²	76.7	33%	0.331	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-41.1	178	0	0	0	0	0	112.4	S173 L174 K180 S181	S173-A177 WeakPolarHBondContact O-CB 3.23Å; S173-A177 PolarHBondContact O-N 3.48Å; L174-A177 PolarHBondContact O-N 3.38Å; A177-K180 PolarHBondContact O-N 3.32Å; A177-S181 WeakPolarHBondContact O-CB 3.03Å; A177-S181 PolarHBondContact O-N 3.25Å; A177-S181 PolarHBondContact O-OG 3.31Å
178	M	31.2	Very low	33.1	Very low	74 Å²	74	86.3 Å²	86.3	37%	0.365	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-44.4	173.8	-71.9	-148.3	-76.2	0	0	111.1	L174 K180 S181 I182	L174-M178 PolarHBondContact O-N 2.94Å; M178-K180 PolarHBondContact O-N 3.19Å; M178-S181 PolarHBondContact O-N 3.02Å; M178-S181 PolarHBondContact O-OG 3.48Å; M178-I182 WeakPolarHBondContact O-CG1 3.37Å; M178-I182 PolarHBondContact O-N 3.05Å; M178-I182 VanDerWaalsContact O-N 3.12Å
179	M	32.2	Very low	33	Very low	103 Å²	103	88.8 Å²	88.8	51%	0.507	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-39.2	175.2	-69.4	-138.5	-78.3	0	0	113.4	F39 C175 I182 Q183	F39-M179 HydrophobicContact CD2-SD 4.19Å; F39-M179 HydrophobicContact CE2-SD 3.76Å; C175-M179 WeakPolarHBondContact O-CB 3.5Å; C175-M179 WeakPolarHBondContact O-CG 3.23Å; C175-M179 PolarHBondContact O-N 3.19Å; M179-I182 PolarHBondContact O-N 3.13Å; M179-Q183 PolarHBondContact O-N 3.33Å; M179-Q183 VanDerWaalsContact O-N 3.13Å
180	K	31.4	Very low	32.7	Very low	90 Å²	90	91.7 Å²	91.7	39%	0.391	50%	0.496	S	S	.	.	H	α-helix	trans	-68.3	-36.6	176.1	-76	-175.7	175.6	-171.9	0	113.1	T176 A177 M178 I182 Q183 Q184 S419	T176-K180 HydrophobicContact CG2-CD 3.83Å; T176-K180 HydrophobicContact CG2-CG 4.14Å; T176-K180 VanDerWaalsContact O-CB 3.23Å; T176-K180 WeakPolarHBondContact O-CB 3.39Å; T176-K180 VanDerWaalsContact O-CG 3.26Å; T176-K180 WeakPolarHBondContact O-CG 3.44Å; T176-K180 PolarHBondContact O-N 2.99Å; A177-K180 PolarHBondContact O-N 3.32Å; M178-K180 PolarHBondContact O-N 3.19Å; K180-I182 VanDerWaalsContact C-N 3.3Å; K180-I182 PolarHBondContact O-N 3.47Å; K180-Q183 PolarHBondContact O-N 3.12Å; K180-Q184 PolarHBondContact O-N 2.95Å; K180-S419 PolarHBondContact NZ-OG 3.02Å
181	S	32	Very low	32.8	Very low	36 Å²	36	95.7 Å²	95.7	25%	0.252	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-31.9	174.5	73.9	0	0	0	0	112.8	V149 A177 M178 Q183 S185	V149-S181 WeakPolarHBondContact O-CB 3.48Å; V149-S181 PolarHBondContact O-OG 3.42Å; A177-S181 WeakPolarHBondContact O-CB 3.03Å; A177-S181 PolarHBondContact O-N 3.25Å; A177-S181 PolarHBondContact O-OG 3.31Å; M178-S181 PolarHBondContact O-N 3.02Å; M178-S181 PolarHBondContact O-OG 3.48Å; S181-Q183 VanDerWaalsContact C-N 3.27Å; S181-Q183 PolarHBondContact O-N 3.4Å; S181-S185 PolarHBondContact O-OG 3.38Å
182	I	34	Very low	32.7	Very low	43 Å²	43	101 Å²	101	22%	0.221	55%	0.547	C	S	.	.	H	α-helix	trans	-67.4	-30	170.6	-68.7	166.5	0	0	0	110.6	R40 M178 M179 K180 S185	R40-I182 HydrophobicContact CG-CG2 4.1Å; R40-I182 PolarHBondContact NE-O 2.95Å; R40-I182 PolarHBondContact NH1-O 3.29Å; R40-I182 PolarHBondContact NH2-O 2.92Å; M178-I182 WeakPolarHBondContact O-CG1 3.37Å; M178-I182 PolarHBondContact O-N 3.05Å; M178-I182 VanDerWaalsContact O-N 3.12Å; M179-I182 PolarHBondContact O-N 3.13Å; K180-I182 VanDerWaalsContact C-N 3.3Å; K180-I182 PolarHBondContact O-N 3.47Å; I182-S185 PolarHBondContact O-OG 2.91Å
183	Q	31.4	Very low	32.7	Very low	125 Å²	125	106.7 Å²	106.7	58%	0.584	58%	0.577	S	S	*	*	H	α-helix	trans	-88.8	-29.6	-174.7	-150	152.3	-13.1	0	0	114.4	M179 K180 S181	M179-Q183 PolarHBondContact O-N 3.33Å; M179-Q183 VanDerWaalsContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 3.12Å; S181-Q183 VanDerWaalsContact C-N 3.27Å; S181-Q183 PolarHBondContact O-N 3.4Å
184	Q	32.1	Very low	32.9	Very low	160 Å²	160	111.5 Å²	111.5	75%	0.748	59%	0.594	S	S	*	*	S	Bend	trans	-87.5	-0.1	-178.2	-71.4	-173.1	-62.2	0	0	115.8	K180 A186	K180-Q184 PolarHBondContact O-N 2.95Å; Q184-A186 PolarHBondContact O-N 2.84Å; Q184-A186 VanDerWaalsContact O-N 3.08Å
185	S	34.2	Very low	32.6	Very low	86 Å²	86	116.9 Å²	116.9	60%	0.601	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	43.2	-178.8	37.1	0	0	0	0	113.7	S181 I182	S181-S185 PolarHBondContact O-OG 3.38Å; I182-S185 PolarHBondContact O-OG 2.91Å
186	A	31.2	Very low	32.5	Very low	79 Å²	79	123.2 Å²	123.2	65%	0.653	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-13	-178.9	0	0	0	0	0	115.4	Q184	Q184-A186 PolarHBondContact O-N 2.84Å; Q184-A186 VanDerWaalsContact O-N 3.08Å
187	E	28	Very low	32.4	Very low	177 Å²	177	126.7 Å²	126.7	83%	0.827	66%	0.658	S	S	*	*			trans	-139.1	90.3	-177.7	-70.8	177	158.5	0	0	110.3
188	Y	33.4	Very low	32.5	Very low	236 Å²	236	127 Å²	127	93%	0.925	67%	0.665	S	S	*	*			trans	-139.6	109.7	147	-109.3	-87.9	0	0	0	106.3
189	S	31.9	Very low	32.4	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	68%	0.679	S	S	*	*			trans	-68.9	158.9	170.6	-175.6	0	0	0	0	109.8
190	D	30	Very low	32.6	Very low	145 Å²	145	132 Å²	132	78%	0.775	69%	0.69	S	S	*	*			trans	-38.8	133.7	162.7	-72.6	-38.4	0	0	0	112.4
191	D	38.3	Very low	32.7	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	71%	0.706	S	S	*	*			trans	174	95.9	134.7	-90.1	-25.8	0	0	0	107.6
192	D	36.7	Very low	32.7	Very low	169 Å²	169	137.3 Å²	137.3	90%	0.904	73%	0.733	S	S	*	*			trans	168.1	88.7	149.7	-89.7	-23.1	0	0	0	109	E194	D192-E194 PolarHBondContact O-N 2.73Å
193	D	33	Very low	32.5	Very low	173 Å²	173	138.9 Å²	138.9	93%	0.925	76%	0.76	S	S	*	*			trans	-69	101.6	171.6	-73.2	-54.3	0	0	0	111
194	E	36.2	Very low	32.3	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	78%	0.775	S	S	*	*			trans	-126.7	110.6	156.2	-81.6	-157.1	178.9	0	0	111.6	D192 W196	D192-E194 PolarHBondContact O-N 2.73Å; E194-W196 PolarHBondContact O-N 2.93Å
195	D	29.4	Very low	32.4	Very low	159 Å²	159	136 Å²	136	85%	0.85	78%	0.778	S	S	*	*			trans	-57.5	95	174	-83.2	-55.5	0	0	0	112.8
196	W	32.6	Very low	32.3	Very low	209 Å²	209	137.5 Å²	137.5	79%	0.792	78%	0.779	S	S	*	*			trans	-108.5	72.8	167.2	-86	94.5	0	0	0	112.6	E194 G198	E194-W196 PolarHBondContact O-N 2.93Å; W196-G198 PolarHBondContact O-N 2.86Å
197	T	31.7	Very low	32.6	Very low	137 Å²	137	138.6 Å²	138.6	84%	0.84	78%	0.782	S	S	*	*			trans	-72.9	56.3	157.3	49.8	0	0	0	0	110.9	N199	T197-N199 PolarHBondContact O-N 3.26Å
198	G	31.3	Very low	32.9	Very low	47 Å²	47	139 Å²	139	49%	0.485	78%	0.784	S	S	.	*			trans	-78.7	97.1	-176	0	0	0	0	0	113.5	W196 E200	W196-G198 PolarHBondContact O-N 2.86Å; G198-E200 PolarHBondContact O-N 3.37Å; G198-E200 VanDerWaalsContact O-N 3.07Å
199	N	29.9	Very low	33.1	Very low	125 Å²	125	132.6 Å²	132.6	67%	0.668	77%	0.772	S	S	*	*			trans	-75.2	85.4	173.3	-169.6	52.2	0	0	0	111.6	T197 E201	T197-N199 PolarHBondContact O-N 3.26Å; N199-E201 VanDerWaalsContact C-N 3.27Å; N199-E201 PolarHBondContact O-N 3.06Å
200	E	35.7	Very low	33.3	Very low	155 Å²	155	134.7 Å²	134.7	72%	0.724	77%	0.773	S	S	*	*			trans	-75	75.8	168.7	-77.1	-164.6	175.9	0	0	111	K77 G198	K77-E200 VanDerWaalsContact NZ-CD 3.28Å; K77-E200 IonicContact NZ-OE1 3.43Å; K77-E200 PolarHBondContact NZ-OE1 3.16Å; K77-E200 IonicContact NZ-OE2 2.73Å; K77-E200 PolarHBondContact NZ-OE2 2.98Å; G198-E200 PolarHBondContact O-N 3.37Å; G198-E200 VanDerWaalsContact O-N 3.07Å
201	E	34.2	Very low	34.2	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	78%	0.775	S	S	*	*			trans	-100.3	142.4	149.4	-75.1	-167.4	162.9	0	0	109.7	N199	N199-E201 VanDerWaalsContact C-N 3.27Å; N199-E201 PolarHBondContact O-N 3.06Å
202	G	31.6	Very low	34.3	Very low	79 Å²	79	133 Å²	133	81%	0.814	77%	0.768	S	S	*	*			trans	94	139.9	-177.3	0	0	0	0	0	113.9
203	G	29.1	Very low	34.4	Very low	76 Å²	76	132.8 Å²	132.8	78%	0.784	76%	0.762	S	S	*	*	S	Bend	cis	-143.3	161	-14.2	0	0	0	0	0	107.8
204	A	28.5	Very low	34.6	Very low	109 Å²	109	132.1 Å²	132.1	90%	0.901	75%	0.753	S	S	*	*			cis	-130.7	105.2	47.8	0	0	0	0	0	112.5
205	S	34.3	Very low	34.6	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	75%	0.752	S	S	*	*			trans	-97.6	131.7	149.2	-163.3	0	0	0	0	107.1
206	D	31.7	Very low	34.9	Very low	118 Å²	118	130.8 Å²	130.8	63%	0.631	76%	0.755	S	S	*	*			trans	-105.5	80.1	-168.3	174.4	32.7	0	0	0	107.9	K250	D206-K250 IonicContact OD2-NZ 2.63Å; D206-K250 PolarHBondContact OD2-NZ 3.11Å
207	S	37.5	Very low	35.1	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	75%	0.747	S	S	*	*			trans	-165.4	98.4	-176.9	-68.6	0	0	0	0	112.3
208	E	34.7	Very low	35.2	Very low	184 Å²	184	123.2 Å²	123.2	86%	0.86	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-102.6	135.4	155.3	-84.6	-82.9	129.1	0	0	107.6
209	P	37.5	Very low	35.4	Very low	103 Å²	103	129.1 Å²	129.1	67%	0.669	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-83.7	123.8	179.4	32.2	-31.3	0	0	0	111.4
210	I	35.6	Very low	35.8	Very low	152 Å²	152	129.2 Å²	129.2	78%	0.779	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-78.2	127.3	158.7	-71.3	173	0	0	0	107.3
211	V	49.2	Very low	35.9	Very low	134 Å²	134	127.4 Å²	127.4	81%	0.812	77%	0.768	S	S	*	*			trans	-109.2	123.2	166	-170.8	0	0	0	0	106.5
212	D	40.1	Very low	36	Very low	130 Å²	130	124.8 Å²	124.8	70%	0.695	77%	0.767	S	S	*	*			trans	-75	154.7	-176.3	-72.7	-54.2	0	0	0	113
213	E	38.7	Very low	36.4	Very low	164 Å²	164	128.2 Å²	128.2	77%	0.766	77%	0.767	S	S	*	*			trans	36	137.5	147	-65	-161.2	143.4	0	0	120.7
214	Q	37.4	Very low	36.7	Very low	159 Å²	159	129.3 Å²	129.3	74%	0.743	76%	0.762	S	S	*	*			cis	-161.3	162.5	37.5	-128.9	152.1	46.7	0	0	110.4
215	P	35.5	Very low	37	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	76%	0.759	S	S	*	*			trans	-99.2	162.5	-171.5	38.3	-33.6	0	0	0	113.9
216	I	36.2	Very low	37.3	Very low	180 Å²	180	135.8 Å²	135.8	92%	0.923	76%	0.756	S	S	*	*			trans	179	139.4	142.1	-94	148.3	0	0	0	109.3
217	G	35.7	Very low	37.3	Very low	60 Å²	60	140 Å²	140	62%	0.619	77%	0.768	S	S	*	*			trans	125.4	87.4	143.7	0	0	0	0	0	120.8
218	V	34.9	Very low	37.3	Very low	127 Å²	127	140.6 Å²	140.6	77%	0.77	77%	0.773	S	S	*	*				67.2	106	127.8	-179.4	0	0	0	0	120.6
219	M	35.3	Very low	37.3	Very low	170 Å²	170	136.3 Å²	136.3	84%	0.837	77%	0.769	S	S	*	*			trans	64	150	137.3	-62.5	-178	169.6	0	0	120.2
220	T	38.2	Very low	37.3	Very low	128 Å²	128	137.9 Å²	137.9	79%	0.785	78%	0.781	S	S	*	*			cis	-156.5	166.7	-6.1	10.2	0	0	0	0	109.4
221	P	37.5	Very low	37.2	Very low	117 Å²	117	136.5 Å²	136.5	76%	0.76	79%	0.785	S	S	*	*			trans	-107.1	162.5	-161.2	40.5	-36.2	0	0	0	117
222	S	37.8	Very low	36.4	Very low	104 Å²	104	133.4 Å²	133.4	73%	0.727	78%	0.779	S	S	*	*			trans	-169.5	148.1	158.2	48.2	0	0	0	0	108.7
223	N	38.8	Very low	36.3	Very low	151 Å²	151	136.9 Å²	136.9	81%	0.807	79%	0.792	S	S	*	*			cis	-163.1	148.5	-5.8	-104.1	-19	0	0	0	109.7
224	S	36.5	Very low	35.9	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	80%	0.8	S	S	*	*			trans	67.5	139.1	135.3	-165.6	0	0	0	0	120.8
225	W	34.5	Very low	35.7	Very low	217 Å²	217	136 Å²	136	82%	0.822	81%	0.805	S	S	*	*			cis	-164.6	170.5	1.1	-123.8	37.2	0	0	0	111.7
226	L	40	Very low	35.5	Very low	142 Å²	142	139.8 Å²	139.8	74%	0.743	81%	0.813	S	S	*	*			trans	61.4	110.4	164.2	-59.8	161.5	0	0	0	117
227	K	32.8	Very low	35.4	Very low	206 Å²	206	140.3 Å²	140.3	90%	0.896	81%	0.812	S	S	*	*			cis	69	97.5	23.2	-86.3	-165.4	-175.5	-174.3	0	117.8
228	S	37	Very low	35	Very low	117 Å²	117	142.2 Å²	142.2	82%	0.818	82%	0.816	S	S	*	*			trans	-161.9	105.5	138.7	-169.1	0	0	0	0	107.4
229	A	34.6	Very low	35.1	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	82%	0.816	S	S	*	*				86.9	87.5	55.3	0	0	0	0	0	114.2
230	C	37.1	Very low	34.9	Very low	136 Å²	136	139.2 Å²	139.2	92%	0.919	81%	0.809	S	S	*	*			trans	-134.9	109.3	148.9	-89.6	0	0	0	0	109.1
231	S	34	Very low	34.5	Very low	124 Å²	124	144.5 Å²	144.5	87%	0.867	82%	0.815	S	S	*	*			trans	-67.8	157	159.9	48.4	0	0	0	0	110.3
232	G	33	Very low	34.3	Very low	68 Å²	68	148.4 Å²	148.4	70%	0.701	82%	0.82	S	S	*	*			cis	172.6	-146.1	3.9	0	0	0	0	0	109.7
233	Q	36.5	Very low	34.1	Very low	204 Å²	204	147.3 Å²	147.3	95%	0.953	82%	0.817	S	S	*	*			trans	81.6	129.2	-179	-59.8	-172.3	-23.7	0	0	116.9
234	Q	30.8	Very low	33.9	Very low	199 Å²	199	147.6 Å²	147.6	93%	0.93	82%	0.818	S	S	*	*			trans	-90.1	145.2	-179.8	-58.5	152.1	-62.4	0	0	110
235	A	33.8	Very low	33.8	Very low	104 Å²	104	151.2 Å²	151.2	86%	0.86	82%	0.823	S	S	*	*			trans	-152.8	141.9	147.5	0	0	0	0	0	109.3
236	Q	31.3	Very low	34.1	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	83%	0.828	S	S	*	*			trans	-81.3	141.7	-174.5	-61	177	-13.7	0	0	111.5
237	H	33	Very low	34.3	Very low	191 Å²	191	152.9 Å²	152.9	88%	0.884	83%	0.833	S	S	*	*			trans	-161.4	132.8	138.2	-118.2	-81.7	0	0	0	110.9
238	S	26.9	Very low	35.6	Very low	101 Å²	101	147.1 Å²	147.1	71%	0.706	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-90.3	133.1	-177.2	53.7	0	0	0	0	112.8
239	P	36.9	Very low	37	Very low	119 Å²	119	148.9 Å²	148.9	77%	0.773	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-85.8	131.2	160.2	31.5	-27.5	0	0	0	110.7
240	V	31.9	Very low	38.3	Very low	115 Å²	115	150.5 Å²	150.5	70%	0.697	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65.6	134.8	-177.5	177.2	0	0	0	0	111.3	F242	V240-F242 HydrophobicContact CG1-CD2 3.75Å; V240-F242 HydrophobicContact CG1-CE2 3.63Å; V240-F242 HydrophobicContact CG1-CZ 4.46Å
241	R	30.7	Very low	39.8	Very low	239 Å²	239	149.9 Å²	149.9	90%	0.902	78%	0.784	S	S	*	*			trans	-93.9	114.3	167.2	-71.7	-179.3	177	172	-1	109.7
242	F	33.6	Very low	41.5	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.873	77%	0.772	S	S	*	*			trans	-100.4	115	154.8	-79.5	-78.9	0	0	0	108.9	V240	V240-F242 HydrophobicContact CG1-CD2 3.75Å; V240-F242 HydrophobicContact CG1-CE2 3.63Å; V240-F242 HydrophobicContact CG1-CZ 4.46Å
243	A	32.4	Very low	43.3	Very low	80 Å²	80	153.8 Å²	153.8	66%	0.661	77%	0.767	S	S	*	*			trans	-128.4	169.9	165.6	0	0	0	0	0	107.4
244	L	35.4	Very low	45	Very low	157 Å²	157	148.5 Å²	148.5	82%	0.822	74%	0.744	S	S	*	*			trans	80.8	127.7	-164.3	-49	167.4	0	0	0	111.4
245	H	32.9	Very low	46.9	Very low	175 Å²	175	142.4 Å²	142.4	81%	0.81	72%	0.724	S	S	*	*			cis	-135.9	118	-0.4	-82.1	92.7	0	0	0	110
246	Q	40.9	Very low	48.7	Very low	197 Å²	197	141.7 Å²	141.7	92%	0.921	71%	0.705	S	S	*	*			trans	-155	62.9	168.5	-155.3	-179.2	19.7	0	0	113.3
247	K	45.4	Very low	50.7	Low	197 Å²	197	137.6 Å²	137.6	86%	0.857	69%	0.688	S	S	*	*			trans	-137	140.7	169.7	-65.6	-172.2	178.3	-176.7	0	110.3
248	N	60.8	Low	52.6	Low	86 Å²	86	136 Å²	136	46%	0.46	68%	0.679	S	S	.	*			trans	107.5	5.7	166	-55.7	-8.7	0	0	0	120.6	Q251 K252	N248-Q251 HydrophobicContact CB-CB 4.38Å; N248-Q251 PolarHBondContact O-N 3.34Å; N248-Q251 PolarHBondContact OD1-OE1 2.83Å; N248-Q251 VanDerWaalsContact OD1-OE1 3.11Å; N248-K252 WeakPolarHBondContact O-CB 3.08Å; N248-K252 WeakPolarHBondContact O-CG 3.43Å; N248-K252 PolarHBondContact O-N 2.85Å
249	I	65.8	Low	54.9	Low	153 Å²	153	140.3 Å²	140.3	79%	0.785	69%	0.685	S	S	*	*	H	α-helix	trans	-64.2	-44.2	169.8	-118.2	170.3	0	0	0	112.2	Q251 K252 F253	I249-Q251 PolarHBondContact O-N 2.77Å; I249-K252 PolarHBondContact O-N 2.82Å; I249-F253 PolarHBondContact O-N 3.48Å
250	K	60.7	Low	56.3	Low	127 Å²	127	142.3 Å²	142.3	55%	0.552	68%	0.681	S	S	*	*	H	α-helix	trans	-62.3	-42.2	175.1	-74.4	-174.9	-179.9	179.5	0	112.3	D206 F253 I254	D206-K250 IonicContact OD2-NZ 2.63Å; D206-K250 PolarHBondContact OD2-NZ 3.11Å; K250-F253 PolarHBondContact O-N 3.45Å; K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 2.72Å
251	Q	69.7	Low	57.6	Low	123 Å²	123	146.9 Å²	146.9	58%	0.575	69%	0.686	S	S	*	*	H	α-helix	trans	-67.3	-41.9	178.6	-74.1	-171.2	-14.7	0	0	111.9	N248 I249 F253 I254 S255	N248-Q251 HydrophobicContact CB-CB 4.38Å; N248-Q251 PolarHBondContact O-N 3.34Å; N248-Q251 PolarHBondContact OD1-OE1 2.83Å; N248-Q251 VanDerWaalsContact OD1-OE1 3.11Å; I249-Q251 PolarHBondContact O-N 2.77Å; Q251-F253 VanDerWaalsContact C-N 3.33Å; Q251-F253 PolarHBondContact O-N 2.83Å; Q251-I254 PolarHBondContact O-N 2.79Å; Q251-S255 PolarHBondContact O-N 3.29Å; Q251-S255 PolarHBondContact O-OG 3.14Å
252	K	68.4	Low	58.4	Low	142 Å²	142	141.3 Å²	141.3	62%	0.617	68%	0.679	S	S	*	*	H	α-helix	trans	-58.9	-43.2	172.1	-76.4	-171.8	173.5	-165.6	0	111.3	N248 I249 S255 L256	N248-K252 WeakPolarHBondContact O-CB 3.08Å; N248-K252 WeakPolarHBondContact O-CG 3.43Å; N248-K252 PolarHBondContact O-N 2.85Å; I249-K252 PolarHBondContact O-N 2.82Å; K252-S255 PolarHBondContact O-N 3.24Å; K252-L256 PolarHBondContact O-N 3.35Å
253	F	70.7	Confident	59.2	Low	133 Å²	133	137.5 Å²	137.5	58%	0.583	67%	0.674	S	S	*	*	H	α-helix	trans	-66	-39.6	177.7	-156.6	-95.4	0	0	0	113.3	I249 K250 Q251 L256 L257	I249-F253 PolarHBondContact O-N 3.48Å; K250-F253 PolarHBondContact O-N 3.45Å; Q251-F253 VanDerWaalsContact C-N 3.33Å; Q251-F253 PolarHBondContact O-N 2.83Å; F253-L256 WeakPolarHBondContact O-CB 3.42Å; F253-L256 PolarHBondContact O-N 2.97Å; F253-L257 HydrophobicContact CD1-CD1 3.81Å; F253-L257 HydrophobicContact CD1-CG 4.28Å; F253-L257 HydrophobicContact CE1-CD1 3.83Å; F253-L257 HydrophobicContact CE1-CG 4.23Å; F253-L257 WeakPolarHBondContact O-CG 3.46Å; F253-L257 PolarHBondContact O-N 3.45Å
254	I	72.3	Confident	59.7	Low	93 Å²	93	142.7 Å²	142.7	48%	0.477	68%	0.684	S	S	.	*	H	α-helix	trans	-67.1	-39.8	174.7	-70.1	165.8	0	0	0	111.2	K250 Q251 L256 L257 K258	K250-I254 WeakPolarHBondContact O-CG1 3.41Å; K250-I254 PolarHBondContact O-N 2.72Å; Q251-I254 PolarHBondContact O-N 2.79Å; I254-L256 VanDerWaalsContact C-N 3.31Å; I254-L257 PolarHBondContact O-N 2.85Å; I254-K258 WeakPolarHBondContact O-CG 3.08Å; I254-K258 PolarHBondContact O-N 3.08Å
255	S	72	Confident	60.3	Low	71 Å²	71	144.3 Å²	144.3	50%	0.497	69%	0.688	S	S	.	*	H	α-helix	trans	-65	-34.3	172.7	-72.9	0	0	0	0	112.5	Q251 K252 K258 K259	Q251-S255 PolarHBondContact O-N 3.29Å; Q251-S255 PolarHBondContact O-OG 3.14Å; K252-S255 PolarHBondContact O-N 3.24Å; S255-K258 PolarHBondContact O-N 3.49Å; S255-K259 PolarHBondContact O-N 3.09Å
256	L	71.5	Confident	60.5	Low	88 Å²	88	144.9 Å²	144.9	46%	0.461	69%	0.691	S	S	.	*	H	α-helix	trans	-61.6	-52.7	170.4	-127.6	84.1	0	0	0	110.9	K252 F253 I254 K258 K259 F260	K252-L256 PolarHBondContact O-N 3.35Å; F253-L256 WeakPolarHBondContact O-CB 3.42Å; F253-L256 PolarHBondContact O-N 2.97Å; I254-L256 VanDerWaalsContact C-N 3.31Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 2.83Å; L256-K259 WeakPolarHBondContact O-CB 2.97Å; L256-K259 PolarHBondContact O-N 3Å; L256-F260 HydrophobicContact CD2-CE2 4.27Å; L256-F260 HydrophobicContact CG-CE2 4.27Å; L256-F260 VanDerWaalsContact O-CD2 3.28Å; L256-F260 WeakPolarHBondContact O-CD2 3.12Å; L256-F260 PolarHBondContact O-N 2.98Å
257	L	72.8	Confident	60.4	Low	103 Å²	103	140.7 Å²	140.7	54%	0.539	68%	0.683	S	S	.	*	H	α-helix	trans	-60.4	-34.2	178.5	-73.7	169.3	0	0	0	112.9	F253 I254 F260 R261	F253-L257 HydrophobicContact CD1-CD1 3.81Å; F253-L257 HydrophobicContact CD1-CG 4.28Å; F253-L257 HydrophobicContact CE1-CD1 3.83Å; F253-L257 HydrophobicContact CE1-CG 4.23Å; F253-L257 WeakPolarHBondContact O-CG 3.46Å; F253-L257 PolarHBondContact O-N 3.45Å; I254-L257 PolarHBondContact O-N 2.85Å; L257-F260 PolarHBondContact O-N 2.83Å; L257-R261 PolarHBondContact O-N 2.88Å
258	K	73.5	Confident	60.1	Low	158 Å²	158	137.1 Å²	137.1	69%	0.687	68%	0.678	S	S	*	*	H	α-helix	trans	-67.8	-39	172.2	-77.5	-176.2	175	-174.1	0	112.4	I254 S255 L256 F260 R261	I254-K258 WeakPolarHBondContact O-CG 3.08Å; I254-K258 PolarHBondContact O-N 3.08Å; S255-K258 PolarHBondContact O-N 3.49Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 2.83Å; K258-F260 VanDerWaalsContact C-N 3.29Å; K258-F260 PolarHBondContact O-N 3.48Å; K258-R261 PolarHBondContact O-N 2.78Å
259	K	73.9	Confident	59	Low	191 Å²	191	142 Å²	142	83%	0.83	70%	0.698	S	S	*	*	H	α-helix	trans	-65.8	-27.4	173.8	-81	-172.4	171.7	-171.4	0	113.5	S255 L256	S255-K259 PolarHBondContact O-N 3.09Å; L256-K259 WeakPolarHBondContact O-CB 2.97Å; L256-K259 PolarHBondContact O-N 3Å
260	F	66.3	Low	57.4	Low	161 Å²	161	139 Å²	139	71%	0.706	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-1.2	175.6	-76.8	-70.4	0	0	0	114.7	L256 L257 K258 V262	L256-F260 HydrophobicContact CD2-CE2 4.27Å; L256-F260 HydrophobicContact CG-CE2 4.27Å; L256-F260 VanDerWaalsContact O-CD2 3.28Å; L256-F260 WeakPolarHBondContact O-CD2 3.12Å; L256-F260 PolarHBondContact O-N 2.98Å; L257-F260 PolarHBondContact O-N 2.83Å; K258-F260 VanDerWaalsContact C-N 3.29Å; K258-F260 PolarHBondContact O-N 3.48Å; F260-V262 PolarHBondContact O-N 3.33Å
261	R	59.3	Low	56.1	Low	211 Å²	211	136.1 Å²	136.1	80%	0.796	71%	0.712	S	S	*	*			trans	-86.2	96.9	-179.3	-167.7	174.2	-176.4	95.5	1.9	111	L257 K258 P263	L257-R261 PolarHBondContact O-N 2.88Å; K258-R261 PolarHBondContact O-N 2.78Å; R261-P263 WeakPolarHBondContact O-CD 3.24Å
262	V	47.3	Very low	54.5	Low	123 Å²	123	140.6 Å²	140.6	75%	0.745	73%	0.73	S	S	*	*			trans	-61.3	128.1	168.5	-177.3	0	0	0	0	109.4	F260	F260-V262 PolarHBondContact O-N 3.33Å
263	P	51.7	Low	53	Low	118 Å²	118	137.6 Å²	137.6	77%	0.766	74%	0.739	S	S	*	*			trans	-75.4	129.2	168.3	-12	28.6	0	0	0	110.6	R261	R261-P263 WeakPolarHBondContact O-CD 3.24Å
264	E	43.4	Very low	52	Low	189 Å²	189	141 Å²	141	88%	0.883	75%	0.753	S	S	*	*			trans	-94.4	105.1	162.8	-67.7	177.6	140.5	0	0	107.9
265	E	47.5	Very low	50.8	Low	192 Å²	192	146 Å²	146	90%	0.897	77%	0.772	S	S	*	*			trans	-153.7	171	152.1	-77.6	-149.9	163.5	0	0	109.5
266	E	36.9	Very low	49.7	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	78%	0.778	S	S	*	*			trans	-87.4	175.2	-146	-60.3	174.3	116.1	0	0	117.2
267	S	39.1	Very low	49.2	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	78%	0.777	S	S	*	*			trans	98.3	111.1	154.5	77	0	0	0	0	119.8
268	T	38.8	Very low	49.2	Very low	123 Å²	123	147.5 Å²	147.5	76%	0.755	78%	0.783	S	S	*	*			trans	52.3	118.2	141.1	38.9	0	0	0	0	122.2
269	E	37.9	Very low	49	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	78%	0.784	S	S	*	*			trans	69.7	82.3	140.5	-58	-169.6	173.7	0	0	119.8
270	G	31.9	Very low	48.9	Very low	90 Å²	90	143.9 Å²	143.9	93%	0.928	77%	0.772	S	S	*	*				69.9	73.1	120.5	0	0	0	0	0	119.6
271	G	34.1	Very low	49.2	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	76%	0.762	S	S	*	*			trans	-166.8	124.2	165.9	0	0	0	0	0	115.4
272	F	34.3	Very low	50.1	Low	217 Å²	217	135.3 Å²	135.3	95%	0.952	75%	0.745	S	S	*	*			trans	26.5	110.9	156.9	-67.5	-91.4	0	0	0	120.3
273	G	38	Very low	51.5	Low	78 Å²	78	132.2 Å²	132.2	80%	0.804	73%	0.732	S	S	*	*			trans	-135.1	108.2	159	0	0	0	0	0	110.9	K275	G273-K275 PolarHBondContact O-N 3.11Å
274	K	49	Very low	52.6	Low	206 Å²	206	131.3 Å²	131.3	90%	0.896	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-65.4	132	-177.2	-68	174.3	178.8	175.5	0	110.6
275	K	47.9	Very low	54.1	Low	197 Å²	197	128.4 Å²	128.4	86%	0.857	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.5	140.5	161.7	-70.2	179.7	177.2	178.6	0	108.5	G273 A277	G273-K275 PolarHBondContact O-N 3.11Å; K275-A277 PolarHBondContact O-N 3.16Å
276	P	48.1	Very low	55.5	Low	96 Å²	96	126.4 Å²	126.4	62%	0.623	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-57.2	137.1	174.2	24.6	-33	0	0	0	109.4
277	A	61.9	Low	57.5	Low	54 Å²	54	122.9 Å²	122.9	45%	0.446	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-69.6	143.8	-173	0	0	0	0	0	110	K275 Q279 E280	K275-A277 PolarHBondContact O-N 3.16Å; A277-Q279 PolarHBondContact O-N 2.84Å; A277-E280 PolarHBondContact O-N 3Å
278	Q	72.8	Confident	59	Low	144 Å²	144	123.1 Å²	123.1	67%	0.673	67%	0.672	S	S	*	*	H	α-helix	trans	-53.1	-32.1	179.9	-171.5	176.8	-46.3	0	0	112.6	E280 L281 E282	Q278-E280 PolarHBondContact O-N 3.17Å; Q278-L281 WeakPolarHBondContact O-CA 3.21Å; Q278-L281 WeakPolarHBondContact O-CB 3.14Å; Q278-L281 PolarHBondContact O-N 3.16Å; Q278-L281 VanDerWaalsContact O-N 3.11Å; Q278-E282 HydrophobicContact CG-CG 4.47Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.47Å; Q278-E282 PolarHBondContact NE2-OE1 3.18Å; Q278-E282 PolarHBondContact O-N 3.14Å
279	Q	68	Low	60.3	Low	151 Å²	151	123 Å²	123	71%	0.706	67%	0.666	S	S	*	*	H	α-helix	trans	-60.9	-34.3	173.8	-74.5	178.2	-34	0	0	114.7	A277 L281 A283	A277-Q279 PolarHBondContact O-N 2.84Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.32Å; Q279-A283 VanDerWaalsContact O-CB 3.28Å; Q279-A283 WeakPolarHBondContact O-CB 3.49Å; Q279-A283 PolarHBondContact O-N 2.9Å
280	E	72.1	Confident	61.5	Low	122 Å²	122	118.1 Å²	118.1	57%	0.57	65%	0.653	S	S	*	*	H	α-helix	trans	-70.4	-29.1	175.2	-66.8	-175.9	139.7	0	0	111.4	A277 Q278 L284	A277-E280 PolarHBondContact O-N 3Å; Q278-E280 PolarHBondContact O-N 3.17Å; E280-L284 WeakPolarHBondContact O-CD1 3.37Å; E280-L284 WeakPolarHBondContact O-CG 3.41Å; E280-L284 PolarHBondContact O-N 2.83Å
281	L	73.2	Confident	62.7	Low	94 Å²	94	120.5 Å²	120.5	49%	0.492	64%	0.644	S	S	.	*	H	α-helix	trans	-75.6	-45.2	174.9	-110.6	153.7	0	0	0	111.1	Q278 Q279 L284 F285	Q278-L281 WeakPolarHBondContact O-CA 3.21Å; Q278-L281 WeakPolarHBondContact O-CB 3.14Å; Q278-L281 PolarHBondContact O-N 3.16Å; Q278-L281 VanDerWaalsContact O-N 3.11Å; Q279-L281 VanDerWaalsContact C-N 3.27Å; Q279-L281 PolarHBondContact O-N 3.32Å; L281-L284 PolarHBondContact O-N 2.73Å; L281-F285 HydrophobicContact CD2-CD2 4.42Å; L281-F285 HydrophobicContact CD2-CE2 3.97Å; L281-F285 VanDerWaalsContact O-CD2 3.31Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.01Å; L281-F285 VanDerWaalsContact O-N 3.07Å
282	E	77.2	Confident	63.1	Low	98 Å²	98	122.6 Å²	122.6	46%	0.458	64%	0.643	S	S	.	*	H	α-helix	trans	-61.7	-44.2	175.7	-74.4	163.5	176.9	0	0	111.5	Q278 L284 F285 E286	Q278-E282 HydrophobicContact CG-CG 4.47Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.47Å; Q278-E282 PolarHBondContact NE2-OE1 3.18Å; Q278-E282 PolarHBondContact O-N 3.14Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.07Å; E282-F285 PolarHBondContact O-N 2.82Å; E282-F285 VanDerWaalsContact O-N 3.1Å; E282-E286 PolarHBondContact O-N 2.74Å
283	A	77.5	Confident	63.3	Low	57 Å²	57	119 Å²	119	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-61.7	-33.6	174.6	0	0	0	0	0	113.3	Q279 E287	Q279-A283 VanDerWaalsContact O-CB 3.28Å; Q279-A283 WeakPolarHBondContact O-CB 3.49Å; Q279-A283 PolarHBondContact O-N 2.9Å; A283-E287 PolarHBondContact O-N 3.29Å
284	L	75	Confident	63.3	Low	100 Å²	100	120.9 Å²	120.9	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-72.5	-29.3	174.4	-81.9	168.5	0	0	0	113.2	E280 L281 E282 L288	E280-L284 WeakPolarHBondContact O-CD1 3.37Å; E280-L284 WeakPolarHBondContact O-CG 3.41Å; E280-L284 PolarHBondContact O-N 2.83Å; L281-L284 PolarHBondContact O-N 2.73Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.07Å; L284-L288 PolarHBondContact O-N 2.74Å
285	F	76.1	Confident	62.8	Low	128 Å²	128	115.1 Å²	115.1	56%	0.561	63%	0.633	S	S	*	*	H	α-helix	trans	-72.3	-42.7	171	-86.9	-75.9	0	0	0	111.1	L281 E282 E287 L288 D289	L281-F285 HydrophobicContact CD2-CD2 4.42Å; L281-F285 HydrophobicContact CD2-CE2 3.97Å; L281-F285 VanDerWaalsContact O-CD2 3.31Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.01Å; L281-F285 VanDerWaalsContact O-N 3.07Å; E282-F285 PolarHBondContact O-N 2.82Å; E282-F285 VanDerWaalsContact O-N 3.1Å; F285-E287 PolarHBondContact O-N 2.7Å; F285-L288 WeakPolarHBondContact O-CA 3.37Å; F285-L288 WeakPolarHBondContact O-CB 3.46Å; F285-L288 PolarHBondContact O-N 3.22Å; F285-D289 PolarHBondContact O-N 3.23Å
286	E	76.7	Confident	62.6	Low	149 Å²	149	109 Å²	109	70%	0.696	63%	0.626	S	S	*	*	H	α-helix	trans	-65.9	-37	179	-160.6	164.6	-149.3	0	0	112.3	E282 L288 S290	E282-E286 PolarHBondContact O-N 2.74Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 2.81Å; E286-S290 WeakPolarHBondContact O-CB 3.36Å; E286-S290 PolarHBondContact O-N 2.75Å; E286-S290 VanDerWaalsContact O-N 3.08Å
287	E	78.5	Confident	62.1	Low	113 Å²	113	113.7 Å²	113.7	53%	0.528	64%	0.64	S	S	.	*	H	α-helix	trans	-62.5	-34.5	169.5	-166.1	-176.6	175.8	0	0	111.7	A283 F285 S290	A283-E287 PolarHBondContact O-N 3.29Å; F285-E287 PolarHBondContact O-N 2.7Å; E287-S290 PolarHBondContact O-OG 3.25Å
288	L	70	Confident	61.3	Low	113 Å²	113	119 Å²	119	59%	0.592	66%	0.656	S	S	*	*	H	α-helix	trans	-72.7	-44	178.5	-128.1	78.1	0	0	0	112.8	L284 F285 E286 S290 L291 T292	L284-L288 PolarHBondContact O-N 2.74Å; F285-L288 WeakPolarHBondContact O-CA 3.37Å; F285-L288 WeakPolarHBondContact O-CB 3.46Å; F285-L288 PolarHBondContact O-N 3.22Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 2.81Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 2.86Å; L288-T292 PolarHBondContact O-OG1 3.07Å
289	D	66.9	Low	59.9	Low	120 Å²	120	119.4 Å²	119.4	64%	0.642	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-34.2	179.2	-74.5	-24.3	0	0	0	111.1	F285 L291 T292	F285-D289 PolarHBondContact O-N 3.23Å; D289-L291 PolarHBondContact O-N 2.78Å; D289-L291 VanDerWaalsContact O-N 3.09Å; D289-T292 PolarHBondContact O-N 3.47Å
290	S	62.7	Low	58.8	Low	85 Å²	85	119.2 Å²	119.2	59%	0.594	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-17.4	175.6	79.2	0	0	0	0	115	E286 E287 L288 T292	E286-S290 WeakPolarHBondContact O-CB 3.36Å; E286-S290 PolarHBondContact O-N 2.75Å; E286-S290 VanDerWaalsContact O-N 3.08Å; E287-S290 PolarHBondContact O-OG 3.25Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 2.84Å; S290-T292 VanDerWaalsContact C-N 3.34Å
291	L	56.3	Low	57.5	Low	141 Å²	141	121 Å²	121	74%	0.738	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	5.8	178.2	-66.7	171.4	0	0	0	113.4	L288 D289	L288-L291 PolarHBondContact O-N 2.86Å; D289-L291 PolarHBondContact O-N 2.78Å; D289-L291 VanDerWaalsContact O-N 3.09Å
292	T	44	Very low	56.1	Low	111 Å²	111	123.6 Å²	123.6	68%	0.681	69%	0.694	S	S	*	*	S	Bend	trans	-127	31.4	-168.7	-41.6	0	0	0	0	114.6	L288 D289 S290	L288-T292 PolarHBondContact O-OG1 3.07Å; D289-T292 PolarHBondContact O-N 3.47Å; S290-T292 VanDerWaalsContact C-N 3.34Å
293	D	37.7	Very low	54.6	Low	143 Å²	143	122.8 Å²	122.8	77%	0.765	70%	0.704	S	S	*	*			trans	-165.3	125.2	152	-166.1	10	0	0	0	112.6
294	S	38.3	Very low	52.9	Low	117 Å²	117	125.5 Å²	125.5	82%	0.818	72%	0.72	S	S	*	*			trans	162.5	99.2	149.4	-81	0	0	0	0	111.3
295	G	38.1	Very low	51.3	Low	84 Å²	84	128.9 Å²	128.9	87%	0.866	74%	0.738	S	S	*	*			trans	-113.5	43.6	168.1	0	0	0	0	0	112.1
296	G	43.6	Very low	49.6	Very low	68 Å²	68	134 Å²	134	70%	0.701	75%	0.753	S	S	*	*			trans	-79	118.9	-175.7	0	0	0	0	0	113.7
297	E	37.2	Very low	47.9	Very low	196 Å²	196	131.9 Å²	131.9	92%	0.916	76%	0.755	S	S	*	*			trans	38.6	108.7	140.8	-52.9	-173.6	173	0	0	119.7
298	Q	46.4	Very low	46.4	Very low	166 Å²	166	132.8 Å²	132.8	78%	0.776	77%	0.769	S	S	*	*				-154.3	114.3	129	-164.9	157.4	12.2	0	0	113.3
299	E	43.2	Very low	45.2	Very low	151 Å²	151	133.1 Å²	133.1	71%	0.706	78%	0.778	S	S	*	*			trans	38.9	141.8	143.1	-57.4	172.5	132.4	0	0	123.2
300	N	44.5	Very low	44.4	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	79%	0.788	S	S	*	*			trans	82.8	77.1	166.7	-57.3	-42.5	0	0	0	118.8
301	D	44.9	Very low	43.4	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	80%	0.798	S	S	*	*			trans	-140.8	63.5	154	-121.5	-19.8	0	0	0	112	A303	D301-A303 VanDerWaalsContact C-N 3.29Å; D301-A303 PolarHBondContact O-N 3.36Å
302	T	42.6	Very low	43.3	Very low	147 Å²	147	137.3 Å²	137.3	90%	0.902	80%	0.8	S	S	*	*			trans	-87.2	61	174.6	58.4	0	0	0	0	111.8
303	A	46.3	Very low	43.5	Very low	81 Å²	81	139.4 Å²	139.4	67%	0.669	81%	0.807	S	S	*	*			trans	-130.2	112.2	175.6	0	0	0	0	0	111.3	D301 L305	D301-A303 VanDerWaalsContact C-N 3.29Å; D301-A303 PolarHBondContact O-N 3.36Å; A303-L305 PolarHBondContact O-N 2.99Å
304	S	41.1	Very low	44.5	Very low	114 Å²	114	142.7 Å²	142.7	80%	0.797	81%	0.808	S	S	*	*			trans	-71.4	111.2	-169.5	-173.8	0	0	0	0	113.6
305	L	41.4	Very low	45	Very low	172 Å²	172	142.8 Å²	142.8	90%	0.901	80%	0.804	S	S	*	*			trans	-122	94.6	156.2	-76.7	177.9	0	0	0	110.3	A303 S307	A303-L305 PolarHBondContact O-N 2.99Å; L305-S307 PolarHBondContact O-N 2.73Å
306	R	40.5	Very low	45.3	Very low	235 Å²	235	148.2 Å²	148.2	89%	0.887	80%	0.8	S	S	*	*			trans	-55.9	100	-176	-171.1	178.8	-176.9	-173.4	1.6	112.2	T308	R306-T308 PolarHBondContact O-N 3.43Å
307	S	41.9	Very low	45.4	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-59.1	125.7	175.6	56.8	0	0	0	0	111.7	L305	L305-S307 PolarHBondContact O-N 2.73Å
308	T	47.4	Very low	45.3	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-61.1	127.7	169.7	47.1	0	0	0	0	110	R306	R306-T308 PolarHBondContact O-N 3.43Å
309	P	45	Very low	44.8	Very low	120 Å²	120	147.4 Å²	147.4	78%	0.779	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.4	141.4	-179.4	26.8	-33.6	0	0	0	111.1
310	K	48.5	Very low	44.4	Very low	196 Å²	196	151.6 Å²	151.6	85%	0.852	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-50.4	121.5	178.2	-158.9	173.8	-170.3	173.8	0	109.5	S312	K310-S312 PolarHBondContact O-N 2.69Å
311	P	42.5	Very low	44.3	Very low	126 Å²	126	153.6 Å²	153.6	82%	0.818	81%	0.813	S	S	*	*			trans	-68.2	103.5	-175.9	25.9	-33.4	0	0	0	110.3	L313	P311-L313 PolarHBondContact O-N 2.86Å
312	S	54.3	Low	44	Very low	112 Å²	112	156 Å²	156	78%	0.783	82%	0.816	S	S	*	*			trans	-70.7	110.1	169	58	0	0	0	0	108.8	K310 R314	K310-S312 PolarHBondContact O-N 2.69Å; S312-R314 PolarHBondContact O-N 3.49Å; S312-R314 VanDerWaalsContact O-N 3.09Å
313	L	48.6	Very low	44	Very low	155 Å²	155	156.1 Å²	156.1	81%	0.812	81%	0.81	S	S	*	*			trans	-59.7	114.6	168.5	-101.3	161.4	0	0	0	108.7	P311 T315 Y316	P311-L313 PolarHBondContact O-N 2.86Å; L313-T315 PolarHBondContact O-N 2.68Å; L313-Y316 HydrophobicContact CD2-CE2 4.24Å
314	R	57.5	Low	43.7	Very low	212 Å²	212	158 Å²	158	80%	0.8	82%	0.815	S	S	*	*			trans	-58.1	128.8	172.4	-170	175.3	-172.3	135.1	-0.1	108.1	S312 Y316	S312-R314 PolarHBondContact O-N 3.49Å; S312-R314 VanDerWaalsContact O-N 3.09Å; R314-Y316 WeakPolarHBondContact O-CD2 3.47Å; R314-Y316 PolarHBondContact O-N 2.83Å
315	T	49.4	Very low	43.5	Very low	119 Å²	119	159.6 Å²	159.6	73%	0.73	81%	0.814	S	S	*	*			trans	-59.2	111.8	176.8	21.5	0	0	0	0	109.8	L313 F317	L313-T315 PolarHBondContact O-N 2.68Å; T315-F317 PolarHBondContact O-N 3.46Å
316	Y	43.6	Very low	43.5	Very low	198 Å²	198	157.8 Å²	157.8	78%	0.776	81%	0.809	S	S	*	*	S	Bend	trans	-76	29	-174.6	-92.3	-85.3	0	0	0	114.2	L313 R314	L313-Y316 HydrophobicContact CD2-CE2 4.24Å; R314-Y316 WeakPolarHBondContact O-CD2 3.47Å; R314-Y316 PolarHBondContact O-N 2.83Å
317	F	46.3	Very low	43.4	Very low	196 Å²	196	153.8 Å²	153.8	86%	0.86	80%	0.801	S	S	*	*			trans	-125.3	101	171.6	-67.3	-73.3	0	0	0	109.3	T315	T315-F317 PolarHBondContact O-N 3.46Å
318	S	34.6	Very low	43.2	Very low	102 Å²	102	156.6 Å²	156.6	71%	0.713	81%	0.808	S	S	*	*			trans	-129.6	123.9	166.9	-71.5	0	0	0	0	108.5
319	S	36.6	Very low	42.9	Very low	115 Å²	115	157.9 Å²	157.9	80%	0.804	80%	0.804	S	S	*	*	S	Bend	trans	98.7	114.7	167.4	-43.3	0	0	0	0	118
320	R	35	Very low	42.6	Very low	239 Å²	239	155 Å²	155	90%	0.902	80%	0.797	S	S	*	*			trans	68.8	82.5	147.9	-69.5	176.9	147.3	174.7	-7	119
321	E	42.3	Very low	42.1	Very low	189 Å²	189	150.8 Å²	150.8	88%	0.883	79%	0.791	S	S	*	*				-127.7	123.9	118.6	-70.6	-166.8	149.1	0	0	108.7	L323	E321-L323 PolarHBondContact O-N 2.69Å
322	K	39.1	Very low	42.1	Very low	210 Å²	210	152.5 Å²	152.5	91%	0.913	79%	0.794	S	S	*	*			trans	-86.7	101.1	172.4	-79.3	-173.5	172.9	-170.8	0	107.5
323	L	41.1	Very low	41.5	Very low	151 Å²	151	155.7 Å²	155.7	79%	0.791	80%	0.796	S	S	*	*			trans	-70.1	140.6	161.6	-69.1	173.3	0	0	0	108.9	E321 I325	E321-L323 PolarHBondContact O-N 2.69Å; L323-I325 PolarHBondContact O-N 3.36Å
324	P	41.9	Very low	41.2	Very low	119 Å²	119	153.2 Å²	153.2	77%	0.773	79%	0.792	S	S	*	*			trans	-65	121.1	173.2	-15.5	29.4	0	0	0	109.3	V326	P324-V326 PolarHBondContact O-N 3.38Å
325	I	35.6	Very low	40.5	Very low	149 Å²	149	151.4 Å²	151.4	76%	0.764	79%	0.79	S	S	*	*			trans	-70.5	114.9	162.7	-68.5	170.5	0	0	0	105.8	L323 Q327	L323-I325 PolarHBondContact O-N 3.36Å; I325-Q327 PolarHBondContact O-N 2.78Å
326	V	41.1	Very low	40.1	Very low	134 Å²	134	152.2 Å²	152.2	81%	0.812	79%	0.79	S	S	*	*			trans	-64.7	113.4	163.4	176.6	0	0	0	0	106	P324 D328	P324-V326 PolarHBondContact O-N 3.38Å; V326-D328 PolarHBondContact O-N 2.94Å
327	Q	38.1	Very low	40	Very low	151 Å²	151	148.2 Å²	148.2	71%	0.706	79%	0.791	S	S	*	*			trans	-73.2	117.2	171.6	-70.7	176	-81.7	0	0	107.8	I325 E329	I325-Q327 PolarHBondContact O-N 2.78Å; Q327-E329 VanDerWaalsContact C-N 3.35Å; Q327-E329 PolarHBondContact O-N 3.48Å
328	D	39.7	Very low	39.7	Very low	164 Å²	164	144 Å²	144	88%	0.877	79%	0.793	S	S	*	*			trans	-77.7	91.3	165.9	-160.5	21.3	0	0	0	106.3	V326 G330	V326-D328 PolarHBondContact O-N 2.94Å; D328-G330 PolarHBondContact O-N 3.22Å
329	E	39.6	Very low	39.8	Very low	159 Å²	159	142.5 Å²	142.5	74%	0.743	79%	0.793	S	S	*	*			trans	-69.6	113.8	-179.8	-74.3	-87.2	115.6	0	0	109.2	Q327	Q327-E329 VanDerWaalsContact C-N 3.35Å; Q327-E329 PolarHBondContact O-N 3.48Å
330	G	39	Very low	39.9	Very low	60 Å²	60	147.6 Å²	147.6	62%	0.619	80%	0.796	S	S	*	*			trans	-87.8	176.5	175.7	0	0	0	0	0	113.7	D328	D328-G330 PolarHBondContact O-N 3.22Å
331	S	38.7	Very low	40	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	79%	0.786	S	S	*	*			trans	69.3	114	163.7	46.2	0	0	0	0	119.6
332	D	42.6	Very low	39.6	Very low	162 Å²	162	137.2 Å²	137.2	87%	0.866	78%	0.783	S	S	*	*				93.1	143.8	122.1	-61.1	-6	0	0	0	122.4
333	E	41.7	Very low	39.6	Very low	180 Å²	180	132 Å²	132	84%	0.841	77%	0.772	S	S	*	*			trans	-75.6	134.4	-160.9	-55.9	-176.8	109.2	0	0	114
334	S	42	Very low	39.3	Very low	102 Å²	102	129.9 Å²	129.9	71%	0.713	77%	0.769	S	S	*	*			trans	79.7	136.5	136	82.2	0	0	0	0	120.6
335	K	43.4	Very low	39.2	Very low	174 Å²	174	130.3 Å²	130.3	76%	0.757	77%	0.765	S	S	*	*			trans	81.7	104.3	150.3	-72.1	179.8	179.3	174.7	0	120.8
336	D	40.2	Very low	39.2	Very low	136 Å²	136	130 Å²	130	73%	0.727	76%	0.763	S	S	*	*				95.5	125.4	118.7	-60.5	-21.6	0	0	0	120.9
337	S	41.6	Very low	39	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	77%	0.765	S	S	*	*			trans	84.3	83.7	149.2	65.5	0	0	0	0	121.1
338	A	39.1	Very low	39.3	Very low	109 Å²	109	128.7 Å²	128.7	90%	0.901	76%	0.764	S	S	*	*				41.6	130.3	115.5	0	0	0	0	0	122.1
339	G	37.2	Very low	39.4	Very low	70 Å²	70	126.9 Å²	126.9	72%	0.722	76%	0.761	S	S	*	*			trans	150.5	104.1	140.6	0	0	0	0	0	118.3
340	Y	39.8	Very low	39.1	Very low	221 Å²	221	130 Å²	130	87%	0.867	77%	0.766	S	S	*	*			trans	20.1	146.7	134.1	-79.6	-108.5	0	0	0	121
341	T	35.4	Very low	39	Very low	112 Å²	112	133.3 Å²	133.3	69%	0.687	77%	0.77	S	S	*	*			cis	-179.8	153.3	-11.7	24.3	0	0	0	0	108.5
342	A	35.5	Very low	38.9	Very low	99 Å²	99	135.9 Å²	135.9	82%	0.818	77%	0.768	S	S	*	*			trans	63.2	161.1	163.3	0	0	0	0	0	115.8
343	S	38.1	Very low	38.7	Very low	99 Å²	99	133.5 Å²	133.5	69%	0.692	76%	0.755	S	S	*	*			cis	-169.7	145.9	25.3	-171.3	0	0	0	0	110.1
344	C	36.2	Very low	38.5	Very low	107 Å²	107	133.8 Å²	133.8	72%	0.723	75%	0.75	S	S	*	*			trans	53.2	162.7	149.5	-62.2	0	0	0	0	120.4
345	D	37.9	Very low	38.1	Very low	129 Å²	129	137.3 Å²	137.3	69%	0.69	75%	0.752	S	S	*	*			cis	-157	163	-26	-111.3	-46.7	0	0	0	109.5
346	I	37.5	Very low	37.5	Very low	141 Å²	141	134.7 Å²	134.7	72%	0.723	75%	0.751	S	S	*	*			trans	5.8	127.4	150.3	-60.5	165	0	0	0	118.4
347	D	36.9	Very low	37.3	Very low	160 Å²	160	135.3 Å²	135.3	86%	0.856	75%	0.753	S	S	*	*				-167.7	161.8	111.8	-122.2	-33.3	0	0	0	116.3
348	S	42.5	Very low	37.1	Very low	98 Å²	98	136.1 Å²	136.1	69%	0.685	75%	0.748	S	S	*	*			trans	-137.6	155.8	178.5	-173.1	0	0	0	0	110.9
349	P	43	Very low	36.9	Very low	126 Å²	126	139.1 Å²	139.1	82%	0.818	74%	0.741	S	S	*	*			trans	-143.3	150.8	140	29	-10.5	0	0	0	116.9
350	R	33.6	Very low	36.9	Very low	224 Å²	224	142.6 Å²	142.6	85%	0.845	74%	0.743	S	S	*	*			trans	-88.6	151	159	-68	169.9	164.1	161.5	-6.3	109.9
351	N	36.2	Very low	36.8	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	73%	0.733	S	S	*	*				165	148.4	107.3	-104.1	-29.2	0	0	0	116.6
352	K	36.7	Very low	36.8	Very low	161 Å²	161	139 Å²	139	70%	0.7	74%	0.737	S	S	*	*			trans	76.6	119.8	134	-76.2	176.6	178.5	-172.6	0	124.4
353	D	37.9	Very low	36.9	Very low	111 Å²	111	139.2 Å²	139.2	59%	0.594	73%	0.731	S	S	*	*				110.6	129.7	108.6	-77.2	-7.9	0	0	0	124.2
354	Y	37.5	Very low	36.7	Very low	186 Å²	186	142.1 Å²	142.1	73%	0.729	73%	0.733	S	S	*	*			trans	68.6	117	146.5	-64.7	-55.7	0	0	0	126.8
355	K	34.8	Very low	36.7	Very low	176 Å²	176	143.6 Å²	143.6	77%	0.765	74%	0.743	S	S	*	*				73.5	110.4	125.3	-76.3	173.9	176.9	179.8	0	124.7
356	T	30.7	Very low	36.6	Very low	120 Å²	120	143.5 Å²	143.5	74%	0.736	74%	0.742	S	S	*	*				55	142.9	117.6	-5.9	0	0	0	0	124.5
357	I	35.1	Very low	36.6	Very low	149 Å²	149	142.7 Å²	142.7	76%	0.764	74%	0.739	S	S	*	*			trans	80.5	137.8	161.1	-56	176.4	0	0	0	114
358	D	37.3	Very low	36.8	Very low	131 Å²	131	145.4 Å²	145.4	70%	0.701	74%	0.738	S	S	*	*			cis	-145.7	-169.6	4.3	-136.7	-38.1	0	0	0	113.3
359	K	35.6	Very low	36.4	Very low	171 Å²	171	144.6 Å²	144.6	74%	0.743	73%	0.732	S	S	*	*			trans	-46.3	155.8	174.3	-61.7	154.7	-177.2	170.7	0	116.6
360	D	36.9	Very low	36.4	Very low	144 Å²	144	145.7 Å²	145.7	77%	0.77	74%	0.736	S	S	*	*				-172.1	131.3	85.8	-105.9	-38.1	0	0	0	117.1
361	T	37	Very low	36.6	Very low	106 Å²	106	141.5 Å²	141.5	65%	0.65	73%	0.73	S	S	*	*				69.1	110.1	118.3	-59.1	0	0	0	0	125.4
362	L	35	Very low	36.6	Very low	150 Å²	150	139.9 Å²	139.9	79%	0.785	74%	0.735	S	S	*	*			trans	70	167.1	141.9	-72.1	174.8	0	0	0	122.8
363	P	37.9	Very low	36.6	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	74%	0.737	S	S	*	*			cis	-133.3	148.6	-17	24.5	-1.8	0	0	0	118
364	E	35.5	Very low	36.6	Very low	160 Å²	160	143.7 Å²	143.7	75%	0.748	75%	0.747	S	S	*	*				36.9	137	125.4	-158.4	165.2	-139.3	0	0	125.4	L366	E364-L366 HydrophobicContact CG-CB 4.41Å
365	C	36.1	Very low	36.5	Very low	137 Å²	137	140.6 Å²	140.6	93%	0.926	75%	0.748	S	S	*	*			trans	-152	137.7	139.5	-167.4	0	0	0	0	110.2
366	L	33.8	Very low	36.6	Very low	128 Å²	128	137.8 Å²	137.8	67%	0.67	75%	0.745	S	S	*	*			trans	-155.8	136.2	-162.7	-157.7	171.3	0	0	0	110.8	E364	E364-L366 HydrophobicContact CG-CB 4.41Å
367	D	39	Very low	36.9	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	75%	0.748	S	S	*	*			trans	-173.8	149	158.2	-117.8	-2.9	0	0	0	108.8
368	R	40.5	Very low	37	Very low	218 Å²	218	135.9 Å²	135.9	82%	0.823	74%	0.743	S	S	*	*			cis	-159.5	161.9	-1.7	-150.6	163	-134.9	-146.9	-3.4	112
369	S	33.5	Very low	36.7	Very low	81 Å²	81	140.8 Å²	140.8	57%	0.566	75%	0.752	S	S	*	*			trans	-87.3	160.3	-178.2	172.6	0	0	0	0	115	D371	S369-D371 PolarHBondContact OG-OD2 2.82Å
370	V	43.9	Very low	36.7	Very low	148 Å²	148	142.1 Å²	142.1	90%	0.897	76%	0.758	S	S	*	*			trans	-147.4	146.9	133	-178.6	0	0	0	0	110.9
371	D	37.3	Very low	36.5	Very low	136 Å²	136	139.9 Å²	139.9	73%	0.727	75%	0.754	S	S	*	*			trans	-101.2	164.9	-164.7	-71.1	-84.3	0	0	0	118.7	S369	S369-D371 PolarHBondContact OG-OD2 2.82Å
372	A	36.7	Very low	36.4	Very low	97 Å²	97	139.3 Å²	139.3	80%	0.802	75%	0.754	S	S	*	*			trans	40.2	138.7	139.4	0	0	0	0	0	124.6
373	D	37.2	Very low	36.5	Very low	140 Å²	140	138.3 Å²	138.3	75%	0.749	75%	0.753	S	S	*	*				-160.8	-177	102	-149.9	-6.3	0	0	0	112.7
374	R	36.5	Very low	36.7	Very low	212 Å²	212	138.1 Å²	138.1	80%	0.8	75%	0.753	S	S	*	*			trans	-110.3	-171	-150.5	-61.4	154.8	164.6	162.4	-5	116.7
375	T	36.3	Very low	36.7	Very low	120 Å²	120	135.3 Å²	135.3	74%	0.736	75%	0.75	S	S	*	*				109.9	101.1	129.6	29.3	0	0	0	0	122.3
376	V	36.2	Very low	36.7	Very low	117 Å²	117	137.1 Å²	137.1	71%	0.709	74%	0.742	S	S	*	*			trans	69	149.1	135.5	-114.1	0	0	0	0	127
377	D	37.8	Very low	36.6	Very low	150 Å²	150	137 Å²	137	80%	0.802	74%	0.738	S	S	*	*			trans	78.8	146.5	147.5	-67.8	-33.7	0	0	0	121.5
378	A	36.7	Very low	36.4	Very low	80 Å²	80	142 Å²	142	66%	0.661	75%	0.748	S	S	*	*			cis	-164.1	148.6	-22.4	0	0	0	0	0	112.7
379	R	30.9	Very low	35.9	Very low	233 Å²	233	136.8 Å²	136.8	88%	0.879	75%	0.746	S	S	*	*			trans	13.2	137.4	153	-50.6	177.7	-168.3	-173.6	3.6	121.8
380	F	36.4	Very low	36.2	Very low	200 Å²	200	138 Å²	138	88%	0.877	76%	0.76	S	S	*	*				-175.7	119.1	118.2	-99.6	-83.2	0	0	0	106.7
381	S	32	Very low	35.6	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	76%	0.759	S	S	*	*				63.7	134.1	74.8	164.2	0	0	0	0	113.9
382	S	36.1	Very low	35.8	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	76%	0.76	S	S	*	*			cis	-171	154	-6.2	53.1	0	0	0	0	112.7
383	V	36.4	Very low	35.7	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	76%	0.76	S	S	*	*				66.8	148.3	127.1	163.1	0	0	0	0	120.7
384	P	41.6	Very low	35.5	Very low	102 Å²	102	136.2 Å²	136.2	66%	0.662	76%	0.76	S	S	*	*			cis	-149.6	-172.7	-31	43.7	-23.9	0	0	0	117.4
385	S	35.4	Very low	35.7	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	76%	0.764	S	S	*	*				112.6	121.3	128.5	-83.7	0	0	0	0	123.9
386	K	36.7	Very low	35.6	Very low	175 Å²	175	138.2 Å²	138.2	76%	0.761	77%	0.771	S	S	*	*			trans	77.6	145.1	140.5	-72.4	-169.1	173.3	-105.3	0	121
387	E	31	Very low	35.4	Very low	126 Å²	126	135.9 Å²	135.9	59%	0.589	77%	0.771	S	S	*	*			cis	-169.5	174.1	-26	-133.6	167.5	177.6	0	0	110.1
388	W	35.9	Very low	35.2	Very low	227 Å²	227	138.1 Å²	138.1	86%	0.86	78%	0.777	S	S	*	*			trans	68.1	105.4	-178.7	-77.3	-70.3	0	0	0	116.2
389	S	30.5	Very low	34.8	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	79%	0.79	S	S	*	*			cis	86.6	109.4	39.5	-54.8	0	0	0	0	115.5
390	A	39	Very low	34.8	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	78%	0.784	S	S	*	*				-167.2	136.8	128.2	0	0	0	0	0	109.3
391	D	30.3	Very low	34.6	Very low	163 Å²	163	139 Å²	139	87%	0.872	78%	0.784	S	S	*	*			trans	-128	-170.2	-161.5	-129.4	-6.5	0	0	0	110.8
392	P	41.8	Very low	34.5	Very low	116 Å²	116	140.9 Å²	140.9	75%	0.753	79%	0.791	S	S	*	*			trans	-126.2	177.4	-141.8	40.4	-21.2	0	0	0	115.9
393	A	35.8	Very low	34.2	Very low	95 Å²	95	140.2 Å²	140.2	79%	0.785	79%	0.791	S	S	*	*			trans	-166.6	122.1	156.6	0	0	0	0	0	108.5
394	S	32.4	Very low	33.9	Very low	109 Å²	109	142 Å²	142	76%	0.762	79%	0.79	S	S	*	*				102.7	114.4	62	-176.3	0	0	0	0	111.2
395	I	39.8	Very low	33.5	Very low	172 Å²	172	144.9 Å²	144.9	88%	0.882	80%	0.795	S	S	*	*				-174.5	152.5	127.3	-93.5	156.8	0	0	0	109.9
396	K	34.3	Very low	33.1	Very low	202 Å²	202	147.5 Å²	147.5	88%	0.878	80%	0.801	S	S	*	*			trans	-86.7	147.1	-159.6	-62.1	162.7	176.4	171.6	0	114.2
397	G	31.9	Very low	32.7	Very low	69 Å²	69	144 Å²	144	71%	0.711	80%	0.799	S	S	*	*				106	105.4	123.5	0	0	0	0	0	118.6
398	Q	34	Very low	32.5	Very low	197 Å²	197	142.8 Å²	142.8	92%	0.921	81%	0.81	S	S	*	*				174.5	140.4	121	-94.3	172.7	9.7	0	0	110.2
399	R	29.4	Very low	32.1	Very low	247 Å²	247	137.6 Å²	137.6	93%	0.932	81%	0.806	S	S	*	*			trans	-90.4	136.1	169.3	-75.2	177.8	174.5	161.5	-3.2	109.5
400	P	31	Very low	31.9	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	81%	0.806	S	S	*	*			trans	-105.6	152.6	150.1	-4.7	25.1	0	0	0	111.6
401	L	30.9	Very low	31.4	Very low	166 Å²	166	144 Å²	144	87%	0.869	81%	0.806	S	S	*	*			trans	-69.1	147.9	178.5	-78.4	72.5	0	0	0	111.9	A403	L401-A403 PolarHBondContact O-N 3.46Å; L401-A403 VanDerWaalsContact O-N 3.15Å
402	V	30.2	Very low	31.1	Very low	136 Å²	136	143.7 Å²	143.7	82%	0.824	80%	0.799	S	S	*	*			trans	-75.4	99.1	166.9	179	0	0	0	0	109.1
403	A	30.2	Very low	30.3	Very low	79 Å²	79	143.2 Å²	143.2	65%	0.653	80%	0.798	S	S	*	*			trans	-94.3	120.3	164.4	0	0	0	0	0	109.3	L401 Q405	L401-A403 PolarHBondContact O-N 3.46Å; L401-A403 VanDerWaalsContact O-N 3.15Å; A403-Q405 PolarHBondContact O-N 3.09Å
404	H	30.3	Very low	30	Very low	166 Å²	166	150.9 Å²	150.9	77%	0.769	81%	0.807	S	S	*	*			trans	-70.8	98.4	175.2	-98.2	-77	0	0	0	110.8
405	Q	32	Very low	29.6	Very low	163 Å²	163	155.3 Å²	155.3	76%	0.762	81%	0.813	S	S	*	*			trans	-106.4	105.5	162.8	-66.8	-170.5	5.4	0	0	109.3	A403 S407	A403-Q405 PolarHBondContact O-N 3.09Å; Q405-S407 PolarHBondContact O-N 2.72Å
406	N	28.5	Very low	29	Very low	155 Å²	155	155.3 Å²	155.3	83%	0.829	81%	0.814	S	S	*	*			trans	-92.8	83.2	173.9	-78.9	-7.5	0	0	0	110.3
407	S	27.7	Very low	28.6	Very low	101 Å²	101	151.4 Å²	151.4	71%	0.706	81%	0.807	S	S	*	*			trans	-102.5	139.9	168.1	-51.7	0	0	0	0	109.2	Q405	Q405-S407 PolarHBondContact O-N 2.72Å
408	A	26	Very low	28.2	Very low	100 Å²	100	157.8 Å²	157.8	83%	0.826	81%	0.814	S	S	*	*			trans	-46.6	158.3	-168.4	0	0	0	0	0	118.1
409	P	28.5	Very low	27.8	Very low	118 Å²	118	152.5 Å²	152.5	77%	0.766	80%	0.8	S	S	*	*			trans	-129.3	127.5	138.5	34.4	-23.4	0	0	0	115.3
410	I	25.1	Very low	27.5	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	79%	0.794	S	S	*	*			trans	3.8	130.3	131.5	-57.8	161.6	0	0	0	116.5
411	F	29.5	Very low	27.2	Very low	200 Å²	200	144.6 Å²	144.6	88%	0.877	79%	0.79	S	S	*	*			trans	-158.7	152.2	137.9	-135.2	-91.4	0	0	0	113.7
412	E	24.2	Very low	26.8	Very low	158 Å²	158	143.8 Å²	143.8	74%	0.738	78%	0.783	S	S	*	*			trans	-93.1	154.3	-166.7	-68	176.7	95.9	0	0	116.8
413	S	24.5	Very low	26.5	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	78%	0.78	S	S	*	*			trans	27.9	126.7	135.6	-52.2	0	0	0	0	122
414	R	29.3	Very low	26.3	Very low	257 Å²	257	143.1 Å²	143.1	97%	0.97	78%	0.781	S	S	*	*			trans	-159.9	144.1	133.1	-110.4	168.1	-125.5	-148.3	1.5	112.9
415	K	24.5	Very low	26.2	Very low	201 Å²	201	142 Å²	142	87%	0.874	79%	0.786	S	S	*	*			trans	-73	151.3	-171.6	-60.2	166.6	175.5	173.4	0	113.7
416	L	26.1	Very low	25.9	Very low	173 Å²	173	142.9 Å²	142.9	91%	0.906	79%	0.787	S	S	*	*			trans	163.3	136.7	157.8	-92.9	159.7	0	0	0	106.5
417	V	27.7	Very low	25.8	Very low	120 Å²	120	142.9 Å²	142.9	73%	0.727	79%	0.787	S	S	*	*			cis	-138.4	153.3	-0.7	173.6	0	0	0	0	108.5
418	K	22.7	Very low	25.7	Very low	202 Å²	202	146.2 Å²	146.2	88%	0.878	80%	0.796	S	S	*	*			trans	-77.9	137.5	172.4	-61.3	172.3	177.6	178.4	0	112.6
419	S	26.4	Very low	25.7	Very low	87 Å²	87	146.3 Å²	146.3	61%	0.608	79%	0.788	S	S	*	*			trans	-157.9	117.1	154	-57.2	0	0	0	0	110	K180	K180-S419 PolarHBondContact NZ-OG 3.02Å
420	S	21.4	Very low	25.5	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	79%	0.79	S	S	*	*			trans	-102.2	151.3	170.4	-179.5	0	0	0	0	109.4
421	A	25.6	Very low	25.5	Very low	84 Å²	84	143.5 Å²	143.5	69%	0.694	79%	0.791	S	S	*	*			trans	-141.8	101.5	163.2	0	0	0	0	0	109
422	M	21.6	Very low	25.4	Very low	149 Å²	149	139.1 Å²	139.1	73%	0.734	79%	0.785	S	S	*	*			trans	-95.1	130	174.8	179.9	-174.3	-71	0	0	108.7	T424	M422-T424 HydrophobicContact CG-CG2 4.21Å; M422-T424 HydrophobicContact SD-CG2 4.06Å
423	A	25.6	Very low	25.4	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	79%	0.79	S	S	*	*			trans	-111.5	109.8	167.1	0	0	0	0	0	109.3
424	T	24.2	Very low	25.4	Very low	111 Å²	111	137.3 Å²	137.3	68%	0.681	79%	0.789	S	S	*	*			trans	-104.1	127.2	168.6	43.9	0	0	0	0	109	M422	M422-T424 HydrophobicContact CG-CG2 4.21Å; M422-T424 HydrophobicContact SD-CG2 4.06Å
425	T	30.1	Very low	25.3	Very low	141 Å²	141	130.4 Å²	130.4	87%	0.865	78%	0.78	S	S	*	*			trans	-128.5	115.4	155.9	48.3	0	0	0	0	106.9
426	K	24.7	Very low	25.4	Very low	183 Å²	183	126.6 Å²	126.6	80%	0.796	77%	0.774	S	S	*	*			trans	-76	169.7	151.8	-72.8	-178.9	172.9	-179	0	107.8
427	D	27.1	Very low	25.7	Very low	154 Å²	154	123.1 Å²	123.1	82%	0.824	76%	0.762	S	S	*	*			trans	72.8	93.1	166.2	-43.4	-34.9	0	0	0	116.2
428	L	25.9	Very low	26.1	Very low	171 Å²	171	120.5 Å²	120.5	90%	0.895	75%	0.748	S	S	*	*				161.3	139.5	106.2	-159.8	63.4	0	0	0	110
429	P	25.7	Very low	27.2	Very low	102 Å²	102	114.2 Å²	114.2	66%	0.662	72%	0.723	S	S	*	*			trans	-97.7	155.9	-160.8	38.3	-38.6	0	0	0	116.6
430	S	24.4	Very low	28.1	Very low	114 Å²	114	112.6 Å²	112.6	80%	0.797	71%	0.71	S	S	*	*			trans	47.8	92.2	144.6	64.1	0	0	0	0	119.8
431	A	25.2	Very low	29.1	Very low	95 Å²	95	114 Å²	114	79%	0.785	70%	0.702	S	S	*	*			trans	-160.9	151.6	134.3	0	0	0	0	0	111.4
432	S	26.1	Very low	30.2	Very low	108 Å²	108	110.1 Å²	110.1	76%	0.755	67%	0.67	S	S	*	*	S	Bend	trans	59	88.9	170	58.3	0	0	0	0	118.6	A434	S432-A434 PolarHBondContact O-N 3.43Å; S432-A434 VanDerWaalsContact O-N 3.13Å
433	T	25.1	Very low	31.7	Very low	137 Å²	137	103.7 Å²	103.7	84%	0.84	64%	0.641	S	S	*	*			trans	49.5	50.8	133.8	-31.1	0	0	0	0	117.6	S435	T433-S435 PolarHBondContact O-N 3.07Å
434	A	25.1	Very low	33.1	Very low	88 Å²	88	103.9 Å²	103.9	73%	0.727	63%	0.632	S	S	*	*			trans	-71.4	120.4	166.7	0	0	0	0	0	110.5	S432 V436	S432-A434 PolarHBondContact O-N 3.43Å; S432-A434 VanDerWaalsContact O-N 3.13Å; A434-V436 PolarHBondContact O-N 3.12Å; A434-V436 VanDerWaalsContact O-N 3.09Å
435	S	26.6	Very low	34.5	Very low	112 Å²	112	100 Å²	100	78%	0.783	61%	0.609	S	S	*	*			trans	-60.1	108.4	158.8	47.9	0	0	0	0	108.1	T433 P437	T433-S435 PolarHBondContact O-N 3.07Å; S435-P437 WeakPolarHBondContact O-CD 3.1Å
436	V	26.2	Very low	35.7	Very low	121 Å²	121	93.4 Å²	93.4	73%	0.733	57%	0.568	S	S	*	*			trans	-59.5	121.3	-179.5	178	0	0	0	0	108.6	A434 C438	A434-V436 PolarHBondContact O-N 3.12Å; A434-V436 VanDerWaalsContact O-N 3.09Å; V436-C438 PolarHBondContact O-N 3.41Å; V436-C438 VanDerWaalsContact O-N 3.12Å
437	P	31.4	Very low	37.5	Very low	101 Å²	101	86.7 Å²	86.7	66%	0.656	54%	0.541	S	S	*	.			trans	-61.1	119.7	171.6	-15.4	28.3	0	0	0	107.4	S435 I439	S435-P437 WeakPolarHBondContact O-CD 3.1Å; P437-I439 PolarHBondContact O-N 2.98Å
438	C	36.4	Very low	39.1	Very low	64 Å²	64	85.6 Å²	85.6	43%	0.432	53%	0.531	S	S	.	.	S	Bend	trans	-76.1	32.7	-169.9	-157.9	0	0	0	0	113.4	V436	V436-C438 PolarHBondContact O-N 3.41Å; V436-C438 VanDerWaalsContact O-N 3.12Å
439	I	46.3	Very low	40.9	Very low	71 Å²	71	79.3 Å²	79.3	36%	0.364	50%	0.498	S	S	.	.			trans	-133.9	90.8	-179.2	-56.4	-173	0	0	0	107.4	P437 A443 V459 E461	P437-I439 PolarHBondContact O-N 2.98Å; I439-A443 HydrophobicContact CG2-CB 3.32Å; I439-V459 HydrophobicContact CD1-CG1 4.11Å; I439-E461 HydrophobicContact CD1-CG 4.06Å
440	P	45	Very low	42.7	Very low	52 Å²	52	75.2 Å²	75.2	34%	0.338	47%	0.47	S	S	.	.			trans	-60.4	155.8	169.4	23.5	-31.6	0	0	0	111.1	S442 A443 W560	P440-S442 WeakPolarHBondContact CG-OG 3.31Å; P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 PolarHBondContact O-OG 3.27Å; P440-A443 WeakPolarHBondContact O-CB 3.35Å; P440-A443 PolarHBondContact O-N 2.93Å; P440-W560 WeakPolarHBondContact CB-O 3.49Å; P440-W560 VanDerWaalsContact CG-O 3.24Å; P440-W560 WeakPolarHBondContact CG-O 3.33Å
441	K	43.7	Very low	44.5	Very low	146 Å²	146	74.8 Å²	74.8	64%	0.635	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	-173.2	-66.9	-176.7	178.9	-179.2	0	113.6	A443 T444	K441-A443 PolarHBondContact O-N 2.94Å; K441-T444 WeakPolarHBondContact O-CB 3.49Å; K441-T444 PolarHBondContact O-N 3.3Å; K441-T444 VanDerWaalsContact O-N 3.13Å; K441-T444 PolarHBondContact O-OG1 3.08Å; K441-T444 VanDerWaalsContact O-OG1 3.08Å
442	S	47.6	Very low	46.2	Very low	1 Å²	1	75.3 Å²	75.3	1%	0.007	45%	0.449	C	S	.	.	H	α-helix	trans	-46.2	-38.6	170.6	57.9	0	0	0	0	113.9	P440 T444 T445 A446 W560 K562	P440-S442 WeakPolarHBondContact CG-OG 3.31Å; P440-S442 PolarHBondContact O-N 2.9Å; P440-S442 PolarHBondContact O-OG 3.27Å; S442-T444 PolarHBondContact O-N 3.3Å; S442-T445 WeakPolarHBondContact O-CA 3.47Å; S442-T445 WeakPolarHBondContact O-CB 3.44Å; S442-T445 PolarHBondContact O-N 2.68Å; S442-A446 PolarHBondContact O-N 2.89Å; S442-W560 WeakPolarHBondContact CB-O 3.43Å; S442-W560 PolarHBondContact OG-O 2.74Å; S442-K562 VanDerWaalsContact CA-O 3.29Å; S442-K562 WeakPolarHBondContact CA-O 3.45Å; S442-K562 WeakPolarHBondContact CB-O 3.33Å
443	A	52.7	Low	47.7	Very low	15 Å²	15	72 Å²	72	12%	0.124	43%	0.426	C	S	.	.	H	α-helix	trans	-60.8	-30.6	-177.2	0	0	0	0	0	112.5	I439 P440 K441 T445 A446 L447	I439-A443 HydrophobicContact CG2-CB 3.32Å; P440-A443 WeakPolarHBondContact O-CB 3.35Å; P440-A443 PolarHBondContact O-N 2.93Å; K441-A443 PolarHBondContact O-N 2.94Å; A443-T445 VanDerWaalsContact C-N 3.28Å; A443-T445 PolarHBondContact O-N 3.15Å; A443-A446 PolarHBondContact O-N 2.99Å; A443-L447 VanDerWaalsContact O-CB 3.29Å; A443-L447 WeakPolarHBondContact O-CB 3.46Å; A443-L447 WeakPolarHBondContact O-CD1 3.23Å; A443-L447 WeakPolarHBondContact O-CG 3.38Å; A443-L447 PolarHBondContact O-N 3.23Å
444	T	55.4	Low	49.6	Very low	94 Å²	94	75 Å²	75	58%	0.577	43%	0.427	S	S	*	.	H	α-helix	trans	-59.3	-42.8	173.8	-42.4	0	0	0	0	110.9	K441 S442 Q448	K441-T444 WeakPolarHBondContact O-CB 3.49Å; K441-T444 PolarHBondContact O-N 3.3Å; K441-T444 VanDerWaalsContact O-N 3.13Å; K441-T444 PolarHBondContact O-OG1 3.08Å; K441-T444 VanDerWaalsContact O-OG1 3.08Å; S442-T444 PolarHBondContact O-N 3.3Å; T444-Q448 WeakPolarHBondContact O-CB 3.2Å; T444-Q448 PolarHBondContact O-N 2.62Å; T444-Q448 VanDerWaalsContact O-N 3.08Å
445	T	53.1	Low	51.5	Low	31 Å²	31	74.4 Å²	74.4	19%	0.19	41%	0.407	C	S	.	.	H	α-helix	trans	-70.3	-43.6	177.9	-48.4	0	0	0	0	110.7	S442 A443 L447 Q448 L449 L565	S442-T445 WeakPolarHBondContact O-CA 3.47Å; S442-T445 WeakPolarHBondContact O-CB 3.44Å; S442-T445 PolarHBondContact O-N 2.68Å; A443-T445 VanDerWaalsContact C-N 3.28Å; A443-T445 PolarHBondContact O-N 3.15Å; T445-L447 PolarHBondContact O-N 3.45Å; T445-Q448 PolarHBondContact O-N 3.48Å; T445-L449 HydrophobicContact CG2-CD1 4.18Å; T445-L449 WeakPolarHBondContact O-CB 3.48Å; T445-L449 WeakPolarHBondContact O-CD1 3.46Å; T445-L449 VanDerWaalsContact O-CG 3.27Å; T445-L449 WeakPolarHBondContact O-CG 3.23Å; T445-L449 PolarHBondContact O-N 3.04Å; T445-L565 HydrophobicContact CG2-CB 3.95Å; T445-L565 HydrophobicContact CG2-CD1 4.25Å; T445-L565 HydrophobicContact CG2-CG 4.19Å
446	A	56.7	Low	53.5	Low	1 Å²	1	72.5 Å²	72.5	1%	0.008	39%	0.392	C	S	.	.	H	α-helix	trans	-63.6	-40.2	178	0	0	0	0	0	113.1	S442 A443 L449 L450 W560	S442-A446 PolarHBondContact O-N 2.89Å; A443-A446 PolarHBondContact O-N 2.99Å; A446-L449 PolarHBondContact O-N 3.44Å; A446-L450 WeakPolarHBondContact O-CG 3.36Å; A446-L450 PolarHBondContact O-N 2.87Å; A446-W560 HydrophobicContact CB-CH2 3.48Å; A446-W560 VanDerWaalsContact CB-CH2 3.48Å; A446-W560 HydrophobicContact CB-CZ3 3.43Å; A446-W560 VanDerWaalsContact CB-CZ3 3.43Å
447	L	61.7	Low	55.4	Low	42 Å²	42	67.7 Å²	67.7	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-47.2	174.3	-72.6	164	0	0	0	111	A443 T445 L449 L450 E451 C457 V459	A443-L447 VanDerWaalsContact O-CB 3.29Å; A443-L447 WeakPolarHBondContact O-CB 3.46Å; A443-L447 WeakPolarHBondContact O-CD1 3.23Å; A443-L447 WeakPolarHBondContact O-CG 3.38Å; A443-L447 PolarHBondContact O-N 3.23Å; T445-L447 PolarHBondContact O-N 3.45Å; L447-L449 VanDerWaalsContact C-N 3.25Å; L447-L449 PolarHBondContact O-N 3.45Å; L447-L450 PolarHBondContact O-N 2.85Å; L447-E451 WeakPolarHBondContact O-CG 3.39Å; L447-E451 PolarHBondContact O-N 3.42Å; L447-C457 HydrophobicContact CD2-CB 4.1Å; L447-V459 HydrophobicContact CD1-CG2 3.45Å; L447-V459 VanDerWaalsContact CD1-CG2 3.45Å; L447-V459 HydrophobicContact CD2-CG2 3.81Å; L447-V459 HydrophobicContact CG-CG2 4.29Å
448	Q	61.4	Low	57.1	Low	131 Å²	131	65.3 Å²	65.3	61%	0.612	35%	0.345	S	S	*	.	H	α-helix	trans	-60.8	-35.4	177.2	-172	175.4	-5.6	0	0	112.1	T444 T445	T444-Q448 WeakPolarHBondContact O-CB 3.2Å; T444-Q448 PolarHBondContact O-N 2.62Å; T444-Q448 VanDerWaalsContact O-N 3.08Å; T445-Q448 PolarHBondContact O-N 3.48Å
449	L	62	Low	58.8	Low	40 Å²	40	65 Å²	65	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-49.1	172.7	-74.3	162.7	0	0	0	111.8	T445 A446 L447 E451 T452 L565 L574	T445-L449 HydrophobicContact CG2-CD1 4.18Å; T445-L449 WeakPolarHBondContact O-CB 3.48Å; T445-L449 WeakPolarHBondContact O-CD1 3.46Å; T445-L449 VanDerWaalsContact O-CG 3.27Å; T445-L449 WeakPolarHBondContact O-CG 3.23Å; T445-L449 PolarHBondContact O-N 3.04Å; A446-L449 PolarHBondContact O-N 3.44Å; L447-L449 VanDerWaalsContact C-N 3.25Å; L447-L449 PolarHBondContact O-N 3.45Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 3.39Å; L449-T452 WeakPolarHBondContact O-CB 3.23Å; L449-T452 PolarHBondContact O-N 3.37Å; L449-T452 PolarHBondContact O-OG1 2.97Å; L449-L565 HydrophobicContact CD1-CD1 4.19Å; L449-L574 HydrophobicContact CB-CD1 4.14Å; L449-L574 HydrophobicContact CB-CD2 4.27Å; L449-L574 HydrophobicContact CB-CG 4.31Å; L449-L574 HydrophobicContact CD2-CD1 4.27Å
450	L	63.8	Low	60.1	Low	16 Å²	16	62.4 Å²	62.4	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-33.5	-179.6	-72.3	164.1	0	0	0	112.9	A446 L447 T452 C453 Y455 C457 L496 L574 I577	A446-L450 WeakPolarHBondContact O-CG 3.36Å; A446-L450 PolarHBondContact O-N 2.87Å; L447-L450 PolarHBondContact O-N 2.85Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 3.36Å; L450-C453 PolarHBondContact O-N 3.08Å; L450-C453 VanDerWaalsContact O-N 3.09Å; L450-Y455 HydrophobicContact CD2-CD2 4.05Å; L450-C457 WeakPolarHBondContact CB-SG 3.31Å; L450-L496 HydrophobicContact CD1-CD2 3.87Å; L450-L574 HydrophobicContact CD2-CD2 3.64Å; L450-L574 HydrophobicContact CG-CD2 4.05Å; L450-I577 HydrophobicContact CD1-CD1 4.46Å; L450-I577 HydrophobicContact CD2-CD1 4.11Å; L450-I577 HydrophobicContact CD2-CG2 4.5Å
451	E	61.9	Low	61.3	Low	104 Å²	104	65 Å²	65	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-33.2	171.9	-75.4	-174.4	161.5	0	0	112.4	N172 L447 L449 C453 C457	N172-E451 PolarHBondContact ND2-OE1 3.25Å; L447-E451 WeakPolarHBondContact O-CG 3.39Å; L447-E451 PolarHBondContact O-N 3.42Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 3.39Å; E451-C453 VanDerWaalsContact C-N 3.27Å; E451-C453 PolarHBondContact O-N 2.99Å; E451-C457 HydrophobicContact CG-CB 4.41Å
452	T	60.9	Low	62.9	Low	107 Å²	107	59.3 Å²	59.3	66%	0.656	31%	0.314	S	S	*	.	H	α-helix	trans	-69.1	-24.2	175.1	69.1	0	0	0	0	113.4	L449 L450 K454	L449-T452 WeakPolarHBondContact O-CB 3.23Å; L449-T452 PolarHBondContact O-N 3.37Å; L449-T452 PolarHBondContact O-OG1 2.97Å; L450-T452 VanDerWaalsContact C-N 3.26Å; L450-T452 PolarHBondContact O-N 3.36Å; T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 PolarHBondContact O-N 3.44Å
453	C	58.9	Low	64.8	Low	39 Å²	39	61.3 Å²	61.3	26%	0.264	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	10.9	-176.9	-69.2	0	0	0	0	114.5	L450 E451 Y455	L450-C453 PolarHBondContact O-N 3.08Å; L450-C453 VanDerWaalsContact O-N 3.09Å; E451-C453 VanDerWaalsContact C-N 3.27Å; E451-C453 PolarHBondContact O-N 2.99Å; C453-Y455 HydrophobicContact CB-CD2 3.75Å; C453-Y455 HydrophobicContact CB-CE2 4.08Å; C453-Y455 PolarHBondContact O-N 3.22Å
454	K	64.4	Low	66.1	Low	198 Å²	198	63.1 Å²	63.1	86%	0.861	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	9.8	-176.6	-48.9	171.8	-176.2	167.5	0	114.6	T452	T452-K454 VanDerWaalsContact C-N 3.31Å; T452-K454 PolarHBondContact O-N 3.44Å
455	Y	66.4	Low	67.2	Low	76 Å²	76	60.6 Å²	60.6	30%	0.298	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.5	169.8	-72.4	-62.5	0	0	0	110.1	L450 C453 C457 H578 L581	L450-Y455 HydrophobicContact CD2-CD2 4.05Å; C453-Y455 HydrophobicContact CB-CD2 3.75Å; C453-Y455 HydrophobicContact CB-CE2 4.08Å; C453-Y455 PolarHBondContact O-N 3.22Å; Y455-C457 PolarHBondContact O-N 3.19Å; Y455-H578 AromaticContact CE2-CE1 3.48Å; Y455-H578 VanDerWaalsContact CE2-CE1 3.48Å; Y455-H578 WeakPolarHBondContact CE2-CE1 3.33Å; Y455-H578 AromaticContact CE2-NE2 3.67Å; Y455-H578 AromaticContact CZ-CE1 3.66Å; Y455-H578 AromaticContact CZ-ND1 3.99Å; Y455-H578 PolarHBondContact OH-CE1 3.14Å; Y455-H578 PolarHBondContact OH-ND1 3.29Å; Y455-L581 HydrophobicContact CE1-CD1 3.87Å
456	C	66.9	Low	68.6	Low	72 Å²	72	59.3 Å²	59.3	49%	0.486	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.7	117.7	160.5	165.9	0	0	0	0	108.8	L168	L168-C456 HydrophobicContact CB-CB 4.16Å; L168-C456 WeakPolarHBondContact CB-SG 3.2Å; L168-C456 HydrophobicContact CD1-CB 3.87Å; L168-C456 WeakPolarHBondContact CD1-SG 3.49Å
457	C	66	Low	70	Confident	20 Å²	20	61.5 Å²	61.5	14%	0.135	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-98.8	135.9	167	-57.9	0	0	0	0	109.8	L447 L450 E451 Y455	L447-C457 HydrophobicContact CD2-CB 4.1Å; L450-C457 WeakPolarHBondContact CB-SG 3.31Å; E451-C457 HydrophobicContact CG-CB 4.41Å; Y455-C457 PolarHBondContact O-N 3.19Å
458	L	67.3	Low	70.8	Confident	51 Å²	51	61.5 Å²	61.5	27%	0.267	32%	0.317	S	S	.	.			trans	-132.7	127.4	170.1	-69.3	174.1	0	0	0	107.9	L168 V171 V469	L168-L458 HydrophobicContact CD2-CD1 4.35Å; L168-L458 HydrophobicContact CD2-CD2 4.34Å; V171-L458 HydrophobicContact CB-CD2 3.98Å; V171-L458 HydrophobicContact CG1-CD2 4.46Å; V171-L458 HydrophobicContact CG2-CD2 3.93Å; L458-V469 HydrophobicContact CD1-CB 4.42Å; L458-V469 HydrophobicContact CD1-CG1 3.54Å; L458-V469 HydrophobicContact CD1-CG2 4.01Å
459	V	71.7	Confident	71.8	Confident	59 Å²	59	57.2 Å²	57.2	36%	0.358	30%	0.299	S	S	.	.			trans	-98.2	132.3	174	-171.2	0	0	0	0	107.9	I439 L447	I439-V459 HydrophobicContact CD1-CG1 4.11Å; L447-V459 HydrophobicContact CD1-CG2 3.45Å; L447-V459 VanDerWaalsContact CD1-CG2 3.45Å; L447-V459 HydrophobicContact CD2-CG2 3.81Å; L447-V459 HydrophobicContact CG-CG2 4.29Å
460	T	73.8	Confident	73.1	Confident	16 Å²	16	55.7 Å²	55.7	10%	0.098	29%	0.291	C	S	.	.			trans	-138.3	124.8	171	68.6	0	0	0	0	108.6	E465 T466 V469 F501	T460-E465 HydrophobicContact CG2-CB 3.93Å; T460-T466 PolarHBondContact OG1-OG1 3.34Å; T460-V469 HydrophobicContact CG2-CB 4.47Å; T460-V469 HydrophobicContact CG2-CG2 3.61Å; T460-F501 WeakPolarHBondContact OG1-CE2 3.13Å
461	E	70.4	Confident	74.2	Confident	105 Å²	105	59.5 Å²	59.5	49%	0.491	31%	0.307	S	S	.	.			trans	-94.9	-37.7	178.1	-65.5	179.4	-161.2	0	0	110.5	R35 I439 E465	R35-E461 IonicContact CZ-OE2 3.22Å; R35-E461 IonicContact NH1-OE2 3.34Å; R35-E461 PolarHBondContact NH1-OE2 3.05Å; R35-E461 IonicContact NH2-OE2 3.95Å; I439-E461 HydrophobicContact CD1-CG 4.06Å; E461-E465 PolarHBondContact N-OE2 3.21Å
462	T	77.8	Confident	75.1	Confident	27 Å²	27	57.1 Å²	57.1	17%	0.166	31%	0.305	C	S	.	.	S	Bend	trans	-101.7	150.7	-176.4	69.1	0	0	0	0	113	K464 E465 T466	T462-K464 PolarHBondContact O-N 3.05Å; T462-E465 PolarHBondContact N-OE2 2.98Å; T462-E465 WeakPolarHBondContact O-CB 3.33Å; T462-E465 PolarHBondContact O-N 2.78Å; T462-E465 VanDerWaalsContact O-N 3.09Å; T462-E465 WeakPolarHBondContact OG1-CG 3.34Å; T462-E465 PolarHBondContact OG1-N 3.37Å; T462-E465 PolarHBondContact OG1-OE1 2.94Å; T462-T466 PolarHBondContact O-N 3.32Å; T462-T466 PolarHBondContact O-OG1 3.15Å
463	L	87.2	Confident	76.4	Confident	44 Å²	44	53.2 Å²	53.2	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-51.3	-33.3	171.1	174.4	59.9	0	0	0	112.1	T466 K467 N504 R507	L463-T466 PolarHBondContact O-N 2.89Å; L463-K467 HydrophobicContact CD1-CG 4.34Å; L463-K467 HydrophobicContact CG-CD 4.47Å; L463-K467 WeakPolarHBondContact O-CB 3.1Å; L463-K467 WeakPolarHBondContact O-CG 3.33Å; L463-K467 PolarHBondContact O-N 2.98Å; L463-N504 HydrophobicContact CD1-CB 4.06Å; L463-R507 HydrophobicContact CD1-CB 3.77Å
464	K	79.5	Confident	77.8	Confident	53 Å²	53	51.7 Å²	51.7	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-72.7	-39.5	-178.6	-161.2	-179.6	-176.5	-132.4	0	112.4	F33 N34 L98 D99 T462 S468	F33-K464 PolarHBondContact O-NZ 3.49Å; F33-K464 VanDerWaalsContact O-NZ 3.16Å; N34-K464 HydrophobicContact CB-CB 4.4Å; N34-K464 HydrophobicContact CB-CD 3.86Å; N34-K464 HydrophobicContact CB-CG 4.17Å; N34-K464 PolarHBondContact ND2-O 2.92Å; N34-K464 WeakPolarHBondContact OD1-CD 3.45Å; N34-K464 VanDerWaalsContact OD1-CE 3.24Å; N34-K464 WeakPolarHBondContact OD1-CE 3.34Å; N34-K464 PolarHBondContact OD1-NZ 3.01Å; L98-K464 PolarHBondContact O-NZ 2.75Å; D99-K464 WeakPolarHBondContact OD1-CE 3.46Å; D99-K464 IonicContact OD1-NZ 2.68Å; D99-K464 PolarHBondContact OD1-NZ 3.25Å; T462-K464 PolarHBondContact O-N 3.05Å; K464-S468 WeakPolarHBondContact O-CB 3.48Å; K464-S468 PolarHBondContact O-N 3.39Å; K464-S468 PolarHBondContact O-OG 3.13Å
465	E	78.9	Confident	78.7	Confident	41 Å²	41	43.2 Å²	43.2	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-46.4	169.8	-72.7	151.1	-143.2	0	0	111.2	N34 T460 E461 T462 K467 S468 V469	N34-E465 HydrophobicContact CB-CG 4.39Å; T460-E465 HydrophobicContact CG2-CB 3.93Å; E461-E465 PolarHBondContact N-OE2 3.21Å; T462-E465 PolarHBondContact N-OE2 2.98Å; T462-E465 WeakPolarHBondContact O-CB 3.33Å; T462-E465 PolarHBondContact O-N 2.78Å; T462-E465 VanDerWaalsContact O-N 3.09Å; T462-E465 WeakPolarHBondContact OG1-CG 3.34Å; T462-E465 PolarHBondContact OG1-N 3.37Å; T462-E465 PolarHBondContact OG1-OE1 2.94Å; E465-K467 PolarHBondContact O-N 2.92Å; E465-S468 WeakPolarHBondContact O-CB 3.37Å; E465-S468 PolarHBondContact O-N 3.14Å; E465-S468 VanDerWaalsContact O-N 3.08Å; E465-V469 PolarHBondContact O-N 2.7Å
466	T	82.3	Confident	79.4	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-57.2	-49.2	176.2	-44.5	0	0	0	0	110.9	T460 T462 L463 S468 V469 F470 N504 S508	T460-T466 PolarHBondContact OG1-OG1 3.34Å; T462-T466 PolarHBondContact O-N 3.32Å; T462-T466 PolarHBondContact O-OG1 3.15Å; L463-T466 PolarHBondContact O-N 2.89Å; T466-S468 VanDerWaalsContact C-N 3.29Å; T466-S468 PolarHBondContact O-N 3.01Å; T466-V469 WeakPolarHBondContact O-CB 3.42Å; T466-V469 PolarHBondContact O-N 3.28Å; T466-V469 VanDerWaalsContact O-N 3.12Å; T466-F470 HydrophobicContact CG2-CD2 4.09Å; T466-F470 HydrophobicContact CG2-CE2 3.91Å; T466-F470 WeakPolarHBondContact O-CD2 3.2Å; T466-F470 PolarHBondContact O-N 2.83Å; T466-N504 HydrophobicContact CG2-CB 4.41Å; T466-S508 WeakPolarHBondContact CG2-OG 3.33Å
467	K	87	Confident	80.4	Confident	46 Å²	46	39.4 Å²	39.4	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-43.7	173.8	-77	-180	178.3	-163.8	0	112.7	L463 E465 V469 F470 F471 S508 E511	L463-K467 HydrophobicContact CD1-CG 4.34Å; L463-K467 HydrophobicContact CG-CD 4.47Å; L463-K467 WeakPolarHBondContact O-CB 3.1Å; L463-K467 WeakPolarHBondContact O-CG 3.33Å; L463-K467 PolarHBondContact O-N 2.98Å; E465-K467 PolarHBondContact O-N 2.92Å; K467-V469 VanDerWaalsContact C-N 3.31Å; K467-V469 PolarHBondContact O-N 2.95Å; K467-F470 PolarHBondContact O-N 3.01Å; K467-F470 VanDerWaalsContact O-N 3.15Å; K467-F471 WeakPolarHBondContact O-CD2 3.4Å; K467-F471 PolarHBondContact O-N 3.43Å; K467-S508 WeakPolarHBondContact CG-OG 3.41Å; K467-S508 PolarHBondContact N-OG 3.49Å; K467-E511 WeakPolarHBondContact CE-OE1 3.29Å; K467-E511 WeakPolarHBondContact CE-OE2 3.46Å; K467-E511 IonicContact NZ-OE1 3.61Å; K467-E511 PolarHBondContact NZ-OE1 3.17Å; K467-E511 IonicContact NZ-OE2 3.9Å; K467-E511 PolarHBondContact NZ-OE2 3.04Å
468	S	78.3	Confident	81.4	Confident	43 Å²	43	42.2 Å²	42.2	30%	0.301	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-38.2	179.6	-56	0	0	0	0	112	N34 K464 E465 T466 F471 A472	N34-S468 PolarHBondContact ND2-OG 2.91Å; K464-S468 WeakPolarHBondContact O-CB 3.48Å; K464-S468 PolarHBondContact O-N 3.39Å; K464-S468 PolarHBondContact O-OG 3.13Å; E465-S468 WeakPolarHBondContact O-CB 3.37Å; E465-S468 PolarHBondContact O-N 3.14Å; E465-S468 VanDerWaalsContact O-N 3.08Å; T466-S468 VanDerWaalsContact C-N 3.29Å; T466-S468 PolarHBondContact O-N 3.01Å; S468-F471 PolarHBondContact O-N 2.88Å; S468-A472 WeakPolarHBondContact O-CB 3.43Å; S468-A472 PolarHBondContact O-N 2.86Å
469	V	83	Confident	82.2	Confident	40 Å²	40	44.5 Å²	44.5	24%	0.242	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-42.9	172.6	170.4	0	0	0	0	111.6	L458 T460 E465 T466 K467 A472 L473	L458-V469 HydrophobicContact CD1-CB 4.42Å; L458-V469 HydrophobicContact CD1-CG1 3.54Å; L458-V469 HydrophobicContact CD1-CG2 4.01Å; T460-V469 HydrophobicContact CG2-CB 4.47Å; T460-V469 HydrophobicContact CG2-CG2 3.61Å; E465-V469 PolarHBondContact O-N 2.7Å; T466-V469 WeakPolarHBondContact O-CB 3.42Å; T466-V469 PolarHBondContact O-N 3.28Å; T466-V469 VanDerWaalsContact O-N 3.12Å; K467-V469 VanDerWaalsContact C-N 3.31Å; K467-V469 PolarHBondContact O-N 2.95Å; V469-A472 PolarHBondContact O-N 2.97Å; V469-L473 PolarHBondContact O-N 3.3Å
470	F	89.4	Confident	82.8	Confident	9 Å²	9	45.5 Å²	45.5	4%	0.039	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-39.9	176.2	-85.8	-103.1	0	0	0	112.5	T466 K467 L473 V474 C505 S508 Y509 V512 F513 F526	T466-F470 HydrophobicContact CG2-CD2 4.09Å; T466-F470 HydrophobicContact CG2-CE2 3.91Å; T466-F470 WeakPolarHBondContact O-CD2 3.2Å; T466-F470 PolarHBondContact O-N 2.83Å; K467-F470 PolarHBondContact O-N 3.01Å; K467-F470 VanDerWaalsContact O-N 3.15Å; F470-L473 PolarHBondContact O-N 3.1Å; F470-V474 WeakPolarHBondContact O-CB 3.4Å; F470-V474 PolarHBondContact O-N 3.34Å; F470-C505 HydrophobicContact CE2-CB 4.35Å; F470-C505 HydrophobicContact CZ-CB 4.3Å; F470-S508 VanDerWaalsContact CD2-CB 3.45Å; F470-Y509 HydrophobicContact CE1-CD2 4.2Å; F470-Y509 HydrophobicContact CE1-CG 4.38Å; F470-V512 HydrophobicContact CB-CB 4.24Å; F470-V512 HydrophobicContact CB-CG1 4.41Å; F470-V512 HydrophobicContact CB-CG2 4.02Å; F470-F513 HydrophobicContact CD1-CD2 4.4Å; F470-F513 HydrophobicContact CD1-CE2 4.09Å; F470-F526 AromaticContact CE1-CE1 3.88Å; F470-F526 HydrophobicContact CE1-CE1 3.88Å; F470-F526 AromaticContact CE1-CZ 3.94Å; F470-F526 HydrophobicContact CE1-CZ 3.94Å; F470-F526 AromaticContact CZ-CE1 3.78Å; F470-F526 HydrophobicContact CZ-CE1 3.78Å; F470-F526 HydrophobicContact CZ-CZ 4.27Å
471	F	86.2	Confident	83.4	Confident	95 Å²	95	46.7 Å²	46.7	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-41.2	171.4	-79	-64.2	0	0	0	112.2	K467 S468 V474 G475 V512	K467-F471 WeakPolarHBondContact O-CD2 3.4Å; K467-F471 PolarHBondContact O-N 3.43Å; S468-F471 PolarHBondContact O-N 2.88Å; F471-V474 PolarHBondContact O-N 2.92Å; F471-G475 PolarHBondContact O-N 2.81Å; F471-V512 HydrophobicContact CD1-CG1 3.72Å; F471-V512 HydrophobicContact CD1-CG2 4.11Å; F471-V512 HydrophobicContact CD2-CG2 4.02Å; F471-V512 HydrophobicContact CE1-CB 4.45Å; F471-V512 HydrophobicContact CE1-CG1 3.94Å; F471-V512 HydrophobicContact CE1-CG2 3.93Å; F471-V512 HydrophobicContact CE2-CG2 3.83Å; F471-V512 HydrophobicContact CG-CG1 4.22Å; F471-V512 HydrophobicContact CG-CG2 4.15Å; F471-V512 HydrophobicContact CZ-CG2 3.78Å
472	A	81.2	Confident	84.2	Confident	54 Å²	54	47.8 Å²	47.8	45%	0.446	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-38.9	176	0	0	0	0	0	112.5	S468 V469 G475 K476	S468-A472 WeakPolarHBondContact O-CB 3.43Å; S468-A472 PolarHBondContact O-N 2.86Å; V469-A472 PolarHBondContact O-N 2.97Å; A472-G475 PolarHBondContact O-N 3.35Å; A472-K476 WeakPolarHBondContact O-CG 3.49Å; A472-K476 PolarHBondContact O-N 3.13Å
473	L	87.1	Confident	84.6	Confident	26 Å²	26	53.6 Å²	53.6	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-51.4	173.1	173.8	65.9	0	0	0	111.3	V469 F470 G475 K476 I477 I491 L493 V524	V469-L473 PolarHBondContact O-N 3.3Å; F470-L473 PolarHBondContact O-N 3.1Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.02Å; L473-K476 WeakPolarHBondContact O-CA 3.47Å; L473-K476 WeakPolarHBondContact O-CB 3.43Å; L473-K476 PolarHBondContact O-N 2.93Å; L473-I477 HydrophobicContact CD1-CD1 4.29Å; L473-I477 HydrophobicContact CD1-CG1 4.5Å; L473-I477 HydrophobicContact CG-CD1 4.09Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 2.96Å; L473-I491 HydrophobicContact CD1-CD1 3.92Å; L473-I491 HydrophobicContact CD1-CG2 4.46Å; L473-L493 HydrophobicContact CD2-CD1 3.65Å; L473-L493 HydrophobicContact CD2-CD2 4.33Å; L473-V524 HydrophobicContact CD2-CG2 4.22Å
474	V	88.8	Confident	84.5	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.036	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-39.2	176.8	155.2	0	0	0	0	111.5	F470 F471 K476 I477 Q478 V512 F513 K516 W520	F470-V474 WeakPolarHBondContact O-CB 3.4Å; F470-V474 PolarHBondContact O-N 3.34Å; F471-V474 PolarHBondContact O-N 2.92Å; V474-K476 VanDerWaalsContact C-N 3.29Å; V474-K476 PolarHBondContact O-N 3.34Å; V474-I477 PolarHBondContact O-N 2.87Å; V474-Q478 WeakPolarHBondContact O-CB 3.3Å; V474-Q478 PolarHBondContact O-N 3.02Å; V474-V512 HydrophobicContact CB-CG1 4.12Å; V474-V512 HydrophobicContact CG1-CG1 4.43Å; V474-V512 HydrophobicContact CG2-CG1 3.81Å; V474-F513 HydrophobicContact CG2-CD2 4.04Å; V474-F513 HydrophobicContact CG2-CE1 4.22Å; V474-F513 HydrophobicContact CG2-CE2 3.52Å; V474-F513 HydrophobicContact CG2-CZ 3.61Å; V474-K516 HydrophobicContact CG1-CD 4.25Å; V474-K516 VanDerWaalsContact CG1-CE 3.45Å; V474-K516 HydrophobicContact CG1-CG 4.44Å; V474-W520 HydrophobicContact CB-CZ3 4.48Å; V474-W520 HydrophobicContact CG1-CZ3 3.93Å; V474-W520 HydrophobicContact CG2-CZ3 4.45Å
475	G	84.1	Confident	84.8	Confident	21 Å²	21	58.3 Å²	58.3	22%	0.216	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-30.6	172.7	0	0	0	0	0	113.8	F471 A472 L473 R479	F471-G475 PolarHBondContact O-N 2.81Å; A472-G475 PolarHBondContact O-N 3.35Å; L473-G475 VanDerWaalsContact C-N 3.28Å; L473-G475 PolarHBondContact O-N 3.02Å; G475-R479 WeakPolarHBondContact O-CD 3.27Å; G475-R479 VanDerWaalsContact O-CG 3.23Å; G475-R479 WeakPolarHBondContact O-CG 3.21Å; G475-R479 PolarHBondContact O-N 3.41Å; G475-R479 PolarHBondContact O-NE 2.89Å
476	K	81.5	Confident	85	Confident	64 Å²	64	59.6 Å²	59.6	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-74.8	-45.8	172.7	-75.2	179.5	174.6	-167.1	0	112.3	L168 A472 L473 V474 Q478 R479 F480	L168-K476 VanDerWaalsContact CD1-NZ 3.3Å; L168-K476 VanDerWaalsContact CG-NZ 3.26Å; A472-K476 WeakPolarHBondContact O-CG 3.49Å; A472-K476 PolarHBondContact O-N 3.13Å; L473-K476 WeakPolarHBondContact O-CA 3.47Å; L473-K476 WeakPolarHBondContact O-CB 3.43Å; L473-K476 PolarHBondContact O-N 2.93Å; V474-K476 VanDerWaalsContact C-N 3.29Å; V474-K476 PolarHBondContact O-N 3.34Å; K476-Q478 VanDerWaalsContact C-N 3.29Å; K476-Q478 PolarHBondContact O-N 3.46Å; K476-R479 PolarHBondContact O-N 3.39Å; K476-F480 PolarHBondContact O-N 3.35Å
477	I	86.6	Confident	85.1	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-55.7	-47.9	174.2	-66.9	169.8	0	0	0	109.5	L473 V474 R479 F480 C481 P488 I491 F513 W520 Y523 V524	L473-I477 HydrophobicContact CD1-CD1 4.29Å; L473-I477 HydrophobicContact CD1-CG1 4.5Å; L473-I477 HydrophobicContact CG-CD1 4.09Å; L473-I477 WeakPolarHBondContact O-CG1 3.38Å; L473-I477 PolarHBondContact O-N 2.96Å; V474-I477 PolarHBondContact O-N 2.87Å; I477-R479 VanDerWaalsContact C-N 3.34Å; I477-R479 PolarHBondContact O-N 3.17Å; I477-F480 WeakPolarHBondContact O-CB 3.39Å; I477-F480 PolarHBondContact O-N 3.31Å; I477-F480 VanDerWaalsContact O-N 3.08Å; I477-C481 PolarHBondContact O-N 3.21Å; I477-C481 PolarHBondContact O-SG 2.92Å; I477-C481 VanDerWaalsContact O-SG 3.34Å; I477-P488 HydrophobicContact CG2-CG 4.22Å; I477-I491 HydrophobicContact CD1-CD1 4.1Å; I477-I491 HydrophobicContact CG1-CD1 3.81Å; I477-F513 HydrophobicContact CD1-CE1 4.44Å; I477-F513 HydrophobicContact CD1-CZ 4.11Å; I477-W520 HydrophobicContact CB-CE3 4.43Å; I477-W520 HydrophobicContact CB-CZ3 3.97Å; I477-W520 HydrophobicContact CG2-CD2 4.31Å; I477-W520 HydrophobicContact CG2-CE3 3.72Å; I477-W520 HydrophobicContact CG2-CH2 4.05Å; I477-W520 HydrophobicContact CG2-CZ3 3.56Å; I477-Y523 HydrophobicContact CG2-CD2 3.67Å; I477-Y523 HydrophobicContact CG2-CE2 4.23Å; I477-V524 HydrophobicContact CD1-CG2 4.16Å
478	Q	88.2	Confident	85	Confident	79 Å²	79	61.7 Å²	61.7	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-42.8	178	-160.3	163.6	-25.5	0	0	112.7	V474 K476 N482 W520	V474-Q478 WeakPolarHBondContact O-CB 3.3Å; V474-Q478 PolarHBondContact O-N 3.02Å; K476-Q478 VanDerWaalsContact C-N 3.29Å; K476-Q478 PolarHBondContact O-N 3.46Å; Q478-N482 WeakPolarHBondContact O-CB 3.36Å; Q478-N482 PolarHBondContact O-N 2.78Å; Q478-N482 PolarHBondContact O-OD1 3.19Å; Q478-W520 HydrophobicContact CB-CH2 3.75Å; Q478-W520 HydrophobicContact CG-CH2 4.05Å
479	R	82.7	Confident	85.4	Confident	98 Å²	98	64.1 Å²	64.1	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-39.3	175.9	-71.2	168.4	-157.9	-176.2	5.5	112	F161 G475 K476 I477 N482 Q483	F161-R479 VanDerWaalsContact CE1-CZ 3.42Å; F161-R479 VanDerWaalsContact CZ-CZ 3.5Å; F161-R479 VanDerWaalsContact CZ-NH2 3.35Å; G475-R479 WeakPolarHBondContact O-CD 3.27Å; G475-R479 VanDerWaalsContact O-CG 3.23Å; G475-R479 WeakPolarHBondContact O-CG 3.21Å; G475-R479 PolarHBondContact O-N 3.41Å; G475-R479 PolarHBondContact O-NE 2.89Å; K476-R479 PolarHBondContact O-N 3.39Å; I477-R479 VanDerWaalsContact C-N 3.34Å; I477-R479 PolarHBondContact O-N 3.17Å; R479-N482 PolarHBondContact O-N 2.9Å; R479-Q483 WeakPolarHBondContact O-CB 3.46Å; R479-Q483 VanDerWaalsContact O-CG 3.23Å; R479-Q483 WeakPolarHBondContact O-CG 3.46Å; R479-Q483 PolarHBondContact O-N 3.31Å
480	F	84.3	Confident	85.6	Confident	80 Å²	80	64.9 Å²	64.9	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-62.4	-52.2	176.4	-175.8	-83.5	0	0	0	110.9	K476 I477 N482 Q483 N484 A486 P488	K476-F480 PolarHBondContact O-N 3.35Å; I477-F480 WeakPolarHBondContact O-CB 3.39Å; I477-F480 PolarHBondContact O-N 3.31Å; I477-F480 VanDerWaalsContact O-N 3.08Å; F480-N482 VanDerWaalsContact C-N 3.27Å; F480-N482 PolarHBondContact O-N 3.08Å; F480-Q483 CarbonylContact O-C 3.51Å; F480-Q483 PolarHBondContact O-N 3.35Å; F480-N484 HydrophobicContact CD1-CB 4.19Å; F480-N484 HydrophobicContact CE1-CB 3.81Å; F480-N484 HydrophobicContact CZ-CB 4.01Å; F480-N484 WeakPolarHBondContact O-CB 3.38Å; F480-N484 PolarHBondContact O-N 3.32Å; F480-N484 PolarHBondContact O-ND2 3.19Å; F480-A486 WeakPolarHBondContact CE1-O 3.45Å; F480-P488 HydrophobicContact CD1-CB 4.09Å; F480-P488 HydrophobicContact CD1-CG 3.65Å; F480-P488 HydrophobicContact CE1-CB 4.25Å; F480-P488 HydrophobicContact CE1-CG 4.13Å; F480-P488 HydrophobicContact CG-CG 4.45Å
481	C	86.9	Confident	85.7	Confident	41 Å²	41	67.2 Å²	67.2	28%	0.277	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-34.5	178.1	-60.7	0	0	0	0	112.7	I477 Q483	I477-C481 PolarHBondContact O-N 3.21Å; I477-C481 PolarHBondContact O-SG 2.92Å; I477-C481 VanDerWaalsContact O-SG 3.34Å; C481-Q483 PolarHBondContact O-N 3.09Å
482	N	87.5	Confident	85.9	Confident	129 Å²	129	66.6 Å²	66.6	69%	0.69	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.4	175.5	-70.9	3.1	0	0	0	113.8	Q478 R479 F480	Q478-N482 WeakPolarHBondContact O-CB 3.36Å; Q478-N482 PolarHBondContact O-N 2.78Å; Q478-N482 PolarHBondContact O-OD1 3.19Å; R479-N482 PolarHBondContact O-N 2.9Å; F480-N482 VanDerWaalsContact C-N 3.27Å; F480-N482 PolarHBondContact O-N 3.08Å
483	Q	86.8	Confident	86.5	Confident	149 Å²	149	65.8 Å²	65.8	70%	0.696	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-15.3	-175.8	-71.2	175	-8.1	0	0	113.3	R479 F480 C481	R479-Q483 WeakPolarHBondContact O-CB 3.46Å; R479-Q483 VanDerWaalsContact O-CG 3.23Å; R479-Q483 WeakPolarHBondContact O-CG 3.46Å; R479-Q483 PolarHBondContact O-N 3.31Å; F480-Q483 CarbonylContact O-C 3.51Å; F480-Q483 PolarHBondContact O-N 3.35Å; C481-Q483 PolarHBondContact O-N 3.09Å
484	N	85.2	Confident	86.7	Confident	56 Å²	56	67 Å²	67	30%	0.299	38%	0.383	S	S	.	.			trans	-136.8	126.6	-173.9	-56.2	-95.1	0	0	0	108.8	F480 A486	F480-N484 HydrophobicContact CD1-CB 4.19Å; F480-N484 HydrophobicContact CE1-CB 3.81Å; F480-N484 HydrophobicContact CZ-CB 4.01Å; F480-N484 WeakPolarHBondContact O-CB 3.38Å; F480-N484 PolarHBondContact O-N 3.32Å; F480-N484 PolarHBondContact O-ND2 3.19Å; N484-A486 PolarHBondContact O-N 3.12Å
485	S	84.4	Confident	86.9	Confident	140 Å²	140	67.2 Å²	67.2	98%	0.979	38%	0.383	S	S	*	.	S	Bend	trans	-70.5	-15	176	-44.3	0	0	0	0	113.5
486	A	84.4	Confident	87.2	Confident	67 Å²	67	68.2 Å²	68.2	55%	0.554	38%	0.384	S	S	*	.	S	Bend	trans	-82.7	143.7	174.9	0	0	0	0	0	110.8	F480 N484	F480-A486 WeakPolarHBondContact CE1-O 3.45Å; N484-A486 PolarHBondContact O-N 3.12Å
487	S	84	Confident	87.5	Confident	82 Å²	82	65.7 Å²	65.7	57%	0.573	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-60.4	140.1	170.2	52.2	0	0	0	0	111.5	S489	S487-S489 PolarHBondContact O-N 2.94Å
488	P	85.7	Confident	87.5	Confident	12 Å²	12	65.6 Å²	65.6	8%	0.078	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-51	139.3	168.2	-19.8	24.9	0	0	0	112.1	I477 F480 Y523	I477-P488 HydrophobicContact CG2-CG 4.22Å; F480-P488 HydrophobicContact CD1-CB 4.09Å; F480-P488 HydrophobicContact CD1-CG 3.65Å; F480-P488 HydrophobicContact CE1-CB 4.25Å; F480-P488 HydrophobicContact CE1-CG 4.13Å; F480-P488 HydrophobicContact CG-CG 4.45Å; P488-Y523 HydrophobicContact CB-CD1 4.23Å; P488-Y523 HydrophobicContact CB-CG 4.2Å; P488-Y523 HydrophobicContact CG-CD1 4.22Å; P488-Y523 HydrophobicContact CG-CD2 3.97Å; P488-Y523 HydrophobicContact CG-CE1 4.33Å; P488-Y523 HydrophobicContact CG-CE2 4.04Å; P488-Y523 HydrophobicContact CG-CG 4.07Å
489	S	85.5	Confident	87.7	Confident	95 Å²	95	63.1 Å²	63.1	66%	0.664	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-63.4	144.8	164.5	54.8	0	0	0	0	110.1	S487 I491	S487-S489 PolarHBondContact O-N 2.94Å; S489-I491 PolarHBondContact O-N 3.36Å; S489-I491 VanDerWaalsContact O-N 3.13Å
490	P	88.1	Confident	88.2	Confident	56 Å²	56	63.1 Å²	63.1	36%	0.364	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-56	118.8	-179.7	-26.1	34.6	0	0	0	112.6	Q492 R525	P490-Q492 PolarHBondContact O-N 3.37Å; P490-R525 HydrophobicContact CB-CG 4.23Å
491	I	90.6	Very high	88.5	Confident	58 Å²	58	61.3 Å²	61.3	30%	0.297	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.7	179.9	-57.6	174.5	0	0	0	108.4	L473 I477 S489 L493 Y523 V524 R525	L473-I491 HydrophobicContact CD1-CD1 3.92Å; L473-I491 HydrophobicContact CD1-CG2 4.46Å; I477-I491 HydrophobicContact CD1-CD1 4.1Å; I477-I491 HydrophobicContact CG1-CD1 3.81Å; S489-I491 PolarHBondContact O-N 3.36Å; S489-I491 VanDerWaalsContact O-N 3.13Å; I491-L493 HydrophobicContact CG2-CD2 3.88Å; I491-L493 HydrophobicContact CG2-CG 4.39Å; I491-Y523 WeakPolarHBondContact CB-O 3.04Å; I491-Y523 PolarHBondContact N-O 3.06Å; I491-V524 WeakPolarHBondContact O-CA 3.11Å; I491-R525 PolarHBondContact O-N 3.18Å
492	Q	91	Very high	88.9	Confident	81 Å²	81	59.5 Å²	59.5	38%	0.379	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.4	172.9	-58.7	-178.9	-76.7	0	0	109.7	P490 Y527 L581	P490-Q492 PolarHBondContact O-N 3.37Å; Q492-Y527 HydrophobicContact CB-CD2 4.03Å; Q492-Y527 HydrophobicContact CB-CE2 3.78Å; Q492-Y527 HydrophobicContact CG-CD2 4.44Å; Q492-Y527 HydrophobicContact CG-CE2 3.69Å; Q492-Y527 PolarHBondContact NE2-OH 3.31Å; Q492-L581 PolarHBondContact NE2-O 3Å
493	L	92.5	Very high	89.2	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.199	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.9	176.1	-62	-179.9	0	0	0	109.4	L473 I491 L495 V524 R525 F526 Y527	L473-L493 HydrophobicContact CD2-CD1 3.65Å; L473-L493 HydrophobicContact CD2-CD2 4.33Å; I491-L493 HydrophobicContact CG2-CD2 3.88Å; I491-L493 HydrophobicContact CG2-CG 4.39Å; L493-L495 HydrophobicContact CB-CD2 4.4Å; L493-L495 PolarHBondContact O-N 3.39Å; L493-V524 HydrophobicContact CD1-CG1 3.43Å; L493-V524 VanDerWaalsContact CD1-CG1 3.43Å; L493-V524 HydrophobicContact CG-CG1 3.99Å; L493-R525 PolarHBondContact N-O 3.11Å; L493-F526 HydrophobicContact CB-CD1 4.15Å; L493-F526 HydrophobicContact CD1-CD1 4.13Å; L493-F526 HydrophobicContact CD1-CE1 3.66Å; L493-F526 HydrophobicContact CD1-CZ 4.42Å; L493-Y527 PolarHBondContact O-N 3.03Å
494	C	92.3	Very high	89.6	Confident	51 Å²	51	46.8 Å²	46.8	35%	0.345	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.4	168.2	-167.8	0	0	0	0	109.2	Y527 L581	C494-Y527 WeakPolarHBondContact CA-O 3.38Å; C494-L581 HydrophobicContact CB-CD1 4.43Å; C494-L581 HydrophobicContact CB-CD2 4.14Å
495	L	93.3	Very high	90.1	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.8	176.3	-55	-174.4	0	0	0	107.6	L493 F501 F502 C505 F526 Y527 P528 V529 F863	L493-L495 HydrophobicContact CB-CD2 4.4Å; L493-L495 PolarHBondContact O-N 3.39Å; L495-F501 HydrophobicContact CB-CE1 3.89Å; L495-F502 HydrophobicContact CB-CD1 4.09Å; L495-F502 HydrophobicContact CB-CE1 3.91Å; L495-F502 WeakPolarHBondContact O-CE1 3.45Å; L495-C505 HydrophobicContact CD1-CB 3.84Å; L495-F526 HydrophobicContact CD1-CB 4.23Å; L495-F526 HydrophobicContact CD1-CD1 3.79Å; L495-F526 HydrophobicContact CD1-CG 4.36Å; L495-F526 HydrophobicContact CD2-CD1 4.25Å; L495-F526 HydrophobicContact CG-CD1 4.18Å; L495-Y527 PolarHBondContact N-O 3.29Å; L495-P528 CarbonylContact O-C 3.54Å; L495-P528 WeakPolarHBondContact O-CA 3.37Å; L495-V529 PolarHBondContact O-N 3.2Å; L495-F863 HydrophobicContact CD1-CZ 3.99Å
496	L	89.5	Confident	90.7	Very high	43 Å²	43	37.6 Å²	37.6	23%	0.225	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113	-178.5	-173.8	70	0	0	0	109.7	L450 F501 V529 C531 W560 I577	L450-L496 HydrophobicContact CD1-CD2 3.87Å; L496-F501 WeakPolarHBondContact O-CE1 3.22Å; L496-V529 HydrophobicContact CD1-CB 3.87Å; L496-V529 HydrophobicContact CD1-CG1 3.61Å; L496-C531 WeakPolarHBondContact CD1-SG 3.48Å; L496-W560 HydrophobicContact CD1-CH2 3.81Å; L496-W560 HydrophobicContact CD1-CZ2 3.92Å; L496-W560 HydrophobicContact CD2-CH2 3.9Å; L496-W560 HydrophobicContact CD2-CZ3 4.44Å; L496-W560 HydrophobicContact CG-CH2 4.18Å; L496-I577 HydrophobicContact CD1-CD1 4.43Å
497	G	87.6	Confident	91.3	Very high	11 Å²	11	35.7 Å²	35.7	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-152.5	-178.9	0	0	0	0	0	115.6	F502 V529 A530 C531	G497-F502 WeakPolarHBondContact O-CZ 3.21Å; G497-V529 PolarHBondContact N-O 2.84Å; G497-V529 VanDerWaalsContact N-O 3.14Å; G497-A530 CarbonylContact O-C 3.52Å; G497-A530 WeakPolarHBondContact O-CA 3.5Å; G497-C531 PolarHBondContact O-N 3.17Å
498	G	88	Confident	91.8	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	18%	0.177	C	C	.	.			trans	-116	-178	178.5	0	0	0	0	0	114.1	E500 F501 F502 C532	G498-E500 PolarHBondContact O-N 2.89Å; G498-E500 VanDerWaalsContact O-N 3.15Å; G498-F501 PolarHBondContact O-N 3.3Å; G498-F502 WeakPolarHBondContact O-CD2 3.26Å; G498-F502 WeakPolarHBondContact O-CG 3.48Å; G498-F502 PolarHBondContact O-N 2.91Å; G498-C532 VanDerWaalsContact CA-SG 3.55Å
499	D	92.5	Very high	92.4	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.139	17%	0.173	C	C	.	.	H	α-helix	trans	-50.5	-39.8	-177.8	-75.9	-14.1	0	0	0	113.4	F502 S503 G534 I535 W536 D840	D499-F502 PolarHBondContact O-N 3.49Å; D499-S503 WeakPolarHBondContact O-CB 3.33Å; D499-S503 PolarHBondContact O-N 2.86Å; D499-G534 VanDerWaalsContact OD1-CA 3.31Å; D499-G534 WeakPolarHBondContact OD1-CA 3.39Å; D499-G534 VanDerWaalsContact OD2-CA 3.25Å; D499-G534 WeakPolarHBondContact OD2-CA 3.16Å; D499-I535 VanDerWaalsContact CG-N 3.3Å; D499-I535 PolarHBondContact OD1-N 2.59Å; D499-I535 PolarHBondContact OD2-N 2.78Å; D499-W536 PolarHBondContact OD1-N 3.5Å; D499-W536 VanDerWaalsContact OD1-N 3.11Å; D499-D840 WeakPolarHBondContact CB-O 3.28Å
500	E	91.2	Very high	92.9	Very high	98 Å²	98	26.9 Å²	26.9	46%	0.458	14%	0.143	S	C	.	.	H	α-helix	trans	-66.3	-45.3	177.4	-177.1	171.1	-161.3	0	0	113	G498 F502 S503 N504 V842	G498-E500 PolarHBondContact O-N 2.89Å; G498-E500 VanDerWaalsContact O-N 3.15Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 2.9Å; E500-S503 WeakPolarHBondContact O-CB 3.48Å; E500-S503 PolarHBondContact O-N 3.34Å; E500-N504 PolarHBondContact O-N 3.5Å; E500-V842 HydrophobicContact CB-CG2 4.17Å; E500-V842 HydrophobicContact CG-CG2 4.5Å
501	F	91.8	Very high	93.2	Very high	43 Å²	43	28.2 Å²	28.2	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-38.8	175.7	173.6	-109.6	0	0	0	111.7	T460 L495 L496 G498 N504 C505	T460-F501 WeakPolarHBondContact OG1-CE2 3.13Å; L495-F501 HydrophobicContact CB-CE1 3.89Å; L496-F501 WeakPolarHBondContact O-CE1 3.22Å; G498-F501 PolarHBondContact O-N 3.3Å; F501-N504 PolarHBondContact O-N 3.28Å; F501-C505 VanDerWaalsContact CZ-SG 3.58Å; F501-C505 PolarHBondContact O-N 3.46Å; F501-C505 PolarHBondContact O-SG 2.87Å
502	F	94.3	Very high	93.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-39.3	174.2	-57	-33.3	0	0	0	112.1	L495 G497 G498 D499 E500 N504 C505 L506 P528 A530 W536	L495-F502 HydrophobicContact CB-CD1 4.09Å; L495-F502 HydrophobicContact CB-CE1 3.91Å; L495-F502 WeakPolarHBondContact O-CE1 3.45Å; G497-F502 WeakPolarHBondContact O-CZ 3.21Å; G498-F502 WeakPolarHBondContact O-CD2 3.26Å; G498-F502 WeakPolarHBondContact O-CG 3.48Å; G498-F502 PolarHBondContact O-N 2.91Å; D499-F502 PolarHBondContact O-N 3.49Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 2.9Å; F502-N504 VanDerWaalsContact C-N 3.35Å; F502-N504 PolarHBondContact O-N 3.23Å; F502-C505 PolarHBondContact O-N 2.96Å; F502-L506 WeakPolarHBondContact O-CB 3.18Å; F502-L506 PolarHBondContact O-N 3.32Å; F502-P528 HydrophobicContact CD1-CB 4.47Å; F502-P528 HydrophobicContact CE1-CB 4.1Å; F502-P528 HydrophobicContact CZ-CB 4.12Å; F502-A530 HydrophobicContact CE2-CB 4.27Å; F502-A530 HydrophobicContact CZ-CB 4.46Å; F502-W536 HydrophobicContact CB-CD2 3.99Å; F502-W536 HydrophobicContact CB-CG 4.19Å; F502-W536 HydrophobicContact CB-CZ2 4.05Å; F502-W536 HydrophobicContact CD2-CB 3.63Å; F502-W536 AromaticContact CD2-CD1 3.84Å; F502-W536 AromaticContact CD2-CD2 3.99Å; F502-W536 HydrophobicContact CD2-CD2 3.99Å; F502-W536 AromaticContact CD2-CG 3.54Å; F502-W536 HydrophobicContact CD2-CG 3.54Å; F502-W536 HydrophobicContact CE2-CB 3.97Å; F502-W536 HydrophobicContact CE2-CG 4.36Å; F502-W536 HydrophobicContact CG-CD2 4.29Å; F502-W536 HydrophobicContact CG-CG 4.26Å
503	S	94.8	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-40	172.2	-162.2	0	0	0	0	112	D499 E500 L506 R507	D499-S503 WeakPolarHBondContact O-CB 3.33Å; D499-S503 PolarHBondContact O-N 2.86Å; E500-S503 WeakPolarHBondContact O-CB 3.48Å; E500-S503 PolarHBondContact O-N 3.34Å; S503-L506 PolarHBondContact O-N 3.12Å; S503-R507 WeakPolarHBondContact O-CB 3.41Å; S503-R507 VanDerWaalsContact O-CG 3.22Å; S503-R507 WeakPolarHBondContact O-CG 3.47Å; S503-R507 PolarHBondContact O-N 3.17Å; S503-R507 PolarHBondContact OG-NE 3.37Å; S503-R507 VanDerWaalsContact OG-NE 3.17Å; S503-R507 PolarHBondContact OG-NH2 2.9Å
504	N	94.2	Very high	93.8	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-39.6	175.9	-72.7	-18.9	0	0	0	112.1	L463 T466 E500 F501 F502 S508	L463-N504 HydrophobicContact CD1-CB 4.06Å; T466-N504 HydrophobicContact CG2-CB 4.41Å; E500-N504 PolarHBondContact O-N 3.5Å; F501-N504 PolarHBondContact O-N 3.28Å; F502-N504 VanDerWaalsContact C-N 3.35Å; F502-N504 PolarHBondContact O-N 3.23Å; N504-S508 VanDerWaalsContact O-CB 3.29Å; N504-S508 WeakPolarHBondContact O-CB 3.37Å; N504-S508 PolarHBondContact O-N 2.84Å; N504-S508 PolarHBondContact O-OG 2.98Å
505	C	96.1	Very high	93.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-46	171.9	-71.3	0	0	0	0	112.1	F470 L495 F501 F502 S508 Y509	F470-C505 HydrophobicContact CE2-CB 4.35Å; F470-C505 HydrophobicContact CZ-CB 4.3Å; L495-C505 HydrophobicContact CD1-CB 3.84Å; F501-C505 VanDerWaalsContact CZ-SG 3.58Å; F501-C505 PolarHBondContact O-N 3.46Å; F501-C505 PolarHBondContact O-SG 2.87Å; F502-C505 PolarHBondContact O-N 2.96Å; C505-S508 PolarHBondContact O-N 2.91Å; C505-Y509 WeakPolarHBondContact O-CB 3.42Å; C505-Y509 PolarHBondContact O-N 2.81Å
506	L	97.2	Very high	93.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-43.4	178.9	-179.4	63.3	0	0	0	112.3	F502 S503 T510 I592 P614 V616 F863	F502-L506 WeakPolarHBondContact O-CB 3.18Å; F502-L506 PolarHBondContact O-N 3.32Å; S503-L506 PolarHBondContact O-N 3.12Å; L506-T510 HydrophobicContact CD1-CG2 4.36Å; L506-T510 WeakPolarHBondContact O-CB 3.3Å; L506-T510 WeakPolarHBondContact O-CG2 3.49Å; L506-T510 PolarHBondContact O-N 2.86Å; L506-T510 PolarHBondContact O-OG1 2.85Å; L506-I592 HydrophobicContact CD1-CD1 3.85Å; L506-I592 HydrophobicContact CD1-CG1 4.18Å; L506-I592 HydrophobicContact CD1-CG2 4.37Å; L506-P614 HydrophobicContact CD2-CB 4.22Å; L506-P614 HydrophobicContact CG-CB 4.1Å; L506-P614 HydrophobicContact CG-CG 4.14Å; L506-V616 HydrophobicContact CD1-CG1 4.2Å; L506-V616 HydrophobicContact CD2-CG1 4.03Å; L506-V616 HydrophobicContact CD2-CG2 4.31Å; L506-F863 HydrophobicContact CD1-CB 4.05Å; L506-F863 HydrophobicContact CD1-CD2 3.67Å; L506-F863 HydrophobicContact CD1-CE2 4.25Å; L506-F863 HydrophobicContact CD1-CG 3.9Å
507	R	96.6	Very high	94	Very high	27 Å²	27	27.7 Å²	27.7	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-45.5	173.3	-70.6	170	-150.2	-164.3	9.5	111.8	L463 S503 T510 E511 P614 W844	L463-R507 HydrophobicContact CD1-CB 3.77Å; S503-R507 WeakPolarHBondContact O-CB 3.41Å; S503-R507 VanDerWaalsContact O-CG 3.22Å; S503-R507 WeakPolarHBondContact O-CG 3.47Å; S503-R507 PolarHBondContact O-N 3.17Å; S503-R507 PolarHBondContact OG-NE 3.37Å; S503-R507 VanDerWaalsContact OG-NE 3.17Å; S503-R507 PolarHBondContact OG-NH2 2.9Å; R507-T510 PolarHBondContact O-OG1 2.95Å; R507-T510 VanDerWaalsContact O-OG1 3.1Å; R507-E511 VanDerWaalsContact O-CB 3.3Å; R507-E511 WeakPolarHBondContact O-CB 3.33Å; R507-E511 PolarHBondContact O-N 2.78Å; R507-E511 VanDerWaalsContact O-N 3.13Å; R507-P614 HydrophobicContact CB-CG 4.4Å; R507-P614 HydrophobicContact CG-CG 3.78Å; R507-W844 VanDerWaalsContact NH1-CZ2 3.27Å
508	S	95.5	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-41.6	179.7	-57.5	0	0	0	0	112	T466 K467 F470 N504 C505 V512	T466-S508 WeakPolarHBondContact CG2-OG 3.33Å; K467-S508 WeakPolarHBondContact CG-OG 3.41Å; K467-S508 PolarHBondContact N-OG 3.49Å; F470-S508 VanDerWaalsContact CD2-CB 3.45Å; N504-S508 VanDerWaalsContact O-CB 3.29Å; N504-S508 WeakPolarHBondContact O-CB 3.37Å; N504-S508 PolarHBondContact O-N 2.84Å; N504-S508 PolarHBondContact O-OG 2.98Å; C505-S508 PolarHBondContact O-N 2.91Å; S508-V512 VanDerWaalsContact O-CB 3.27Å; S508-V512 WeakPolarHBondContact O-CB 3.25Å; S508-V512 WeakPolarHBondContact O-CG2 3.4Å; S508-V512 PolarHBondContact O-N 2.81Å
509	Y	97	Very high	94.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-56.1	175.6	175.8	-118.5	0	0	0	111.9	F470 C505 E511 V512 F513 L521 F526 I592 V860 F862 F863	F470-Y509 HydrophobicContact CE1-CD2 4.2Å; F470-Y509 HydrophobicContact CE1-CG 4.38Å; C505-Y509 WeakPolarHBondContact O-CB 3.42Å; C505-Y509 PolarHBondContact O-N 2.81Å; Y509-E511 VanDerWaalsContact C-N 3.29Å; Y509-E511 PolarHBondContact O-N 2.77Å; Y509-V512 PolarHBondContact O-N 3.13Å; Y509-F513 HydrophobicContact CD2-CB 4.11Å; Y509-F513 AromaticContact CD2-CD2 3.49Å; Y509-F513 HydrophobicContact CD2-CD2 3.49Å; Y509-F513 VanDerWaalsContact CD2-CD2 3.49Å; Y509-F513 HydrophobicContact CD2-CE2 4.04Å; Y509-F513 AromaticContact CD2-CG 3.79Å; Y509-F513 HydrophobicContact CD2-CG 3.79Å; Y509-F513 HydrophobicContact CE2-CB 4.01Å; Y509-F513 HydrophobicContact CE2-CD1 4.06Å; Y509-F513 AromaticContact CE2-CD2 3.85Å; Y509-F513 HydrophobicContact CE2-CD2 3.85Å; Y509-F513 HydrophobicContact CE2-CE2 4.36Å; Y509-F513 AromaticContact CE2-CG 3.69Å; Y509-F513 HydrophobicContact CE2-CG 3.69Å; Y509-F513 WeakPolarHBondContact O-CB 3.48Å; Y509-F513 PolarHBondContact O-N 3.49Å; Y509-L521 HydrophobicContact CE2-CD2 4.46Å; Y509-F526 HydrophobicContact CD1-CE2 4.22Å; Y509-F526 HydrophobicContact CD1-CZ 4.44Å; Y509-F526 AromaticContact CD2-CE2 3.84Å; Y509-F526 HydrophobicContact CD2-CE2 3.84Å; Y509-F526 AromaticContact CD2-CZ 3.52Å; Y509-F526 HydrophobicContact CD2-CZ 3.52Å; Y509-F526 HydrophobicContact CE1-CE2 4.22Å; Y509-F526 AromaticContact CE2-CE2 3.85Å; Y509-F526 HydrophobicContact CE2-CE2 3.85Å; Y509-F526 AromaticContact CE2-CZ 3.93Å; Y509-F526 HydrophobicContact CE2-CZ 3.93Å; Y509-F526 HydrophobicContact CG-CE2 4.01Å; Y509-F526 AromaticContact CG-CZ 3.79Å; Y509-F526 HydrophobicContact CG-CZ 3.79Å; Y509-I592 HydrophobicContact CD1-CD1 4.43Å; Y509-I592 HydrophobicContact CE1-CD1 4.35Å; Y509-V860 HydrophobicContact CD1-CG1 3.88Å; Y509-V860 HydrophobicContact CE1-CG1 3.31Å; Y509-F862 WeakPolarHBondContact CE1-O 3.33Å; Y509-F863 AromaticContact CD1-CD2 3.73Å; Y509-F863 HydrophobicContact CD1-CD2 3.73Å; Y509-F863 HydrophobicContact CD1-CE2 4.26Å; Y509-F863 HydrophobicContact CE1-CD2 4.1Å; Y509-F863 HydrophobicContact CG-CD2 4.4Å
510	T	96.5	Very high	94.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-34.2	-176.7	46.3	0	0	0	0	113.7	L506 R507 G514 I592 P614 V860	L506-T510 HydrophobicContact CD1-CG2 4.36Å; L506-T510 WeakPolarHBondContact O-CB 3.3Å; L506-T510 WeakPolarHBondContact O-CG2 3.49Å; L506-T510 PolarHBondContact O-N 2.86Å; L506-T510 PolarHBondContact O-OG1 2.85Å; R507-T510 PolarHBondContact O-OG1 2.95Å; R507-T510 VanDerWaalsContact O-OG1 3.1Å; T510-G514 WeakPolarHBondContact O-CA 3.28Å; T510-G514 PolarHBondContact O-N 2.8Å; T510-I592 HydrophobicContact CG2-CD1 3.56Å; T510-I592 HydrophobicContact CG2-CG2 4.12Å; T510-P614 HydrophobicContact CG2-CB 4.09Å; T510-P614 HydrophobicContact CG2-CG 4.43Å; T510-V860 HydrophobicContact CG2-CG1 4.32Å
511	E	94.9	Very high	94.2	Very high	84 Å²	84	35 Å²	35	39%	0.393	18%	0.181	S	C	.	.	H	α-helix	trans	-78.4	-45.3	178.2	-170.6	174.4	127.2	0	0	112.8	K467 R507 Y509 Q515	K467-E511 WeakPolarHBondContact CE-OE1 3.29Å; K467-E511 WeakPolarHBondContact CE-OE2 3.46Å; K467-E511 IonicContact NZ-OE1 3.61Å; K467-E511 PolarHBondContact NZ-OE1 3.17Å; K467-E511 IonicContact NZ-OE2 3.9Å; K467-E511 PolarHBondContact NZ-OE2 3.04Å; R507-E511 VanDerWaalsContact O-CB 3.3Å; R507-E511 WeakPolarHBondContact O-CB 3.33Å; R507-E511 PolarHBondContact O-N 2.78Å; R507-E511 VanDerWaalsContact O-N 3.13Å; Y509-E511 VanDerWaalsContact C-N 3.29Å; Y509-E511 PolarHBondContact O-N 2.77Å; E511-Q515 PolarHBondContact O-NE2 3.02Å
512	V	95.1	Very high	94.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-80.7	-41.9	-174.7	-178.9	0	0	0	0	111.9	F470 F471 V474 S508 Y509	F470-V512 HydrophobicContact CB-CB 4.24Å; F470-V512 HydrophobicContact CB-CG1 4.41Å; F470-V512 HydrophobicContact CB-CG2 4.02Å; F471-V512 HydrophobicContact CD1-CG1 3.72Å; F471-V512 HydrophobicContact CD1-CG2 4.11Å; F471-V512 HydrophobicContact CD2-CG2 4.02Å; F471-V512 HydrophobicContact CE1-CB 4.45Å; F471-V512 HydrophobicContact CE1-CG1 3.94Å; F471-V512 HydrophobicContact CE1-CG2 3.93Å; F471-V512 HydrophobicContact CE2-CG2 3.83Å; F471-V512 HydrophobicContact CG-CG1 4.22Å; F471-V512 HydrophobicContact CG-CG2 4.15Å; F471-V512 HydrophobicContact CZ-CG2 3.78Å; V474-V512 HydrophobicContact CB-CG1 4.12Å; V474-V512 HydrophobicContact CG1-CG1 4.43Å; V474-V512 HydrophobicContact CG2-CG1 3.81Å; S508-V512 VanDerWaalsContact O-CB 3.27Å; S508-V512 WeakPolarHBondContact O-CB 3.25Å; S508-V512 WeakPolarHBondContact O-CG2 3.4Å; S508-V512 PolarHBondContact O-N 2.81Å; Y509-V512 PolarHBondContact O-N 3.13Å
513	F	95.9	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-77.6	-23.9	174.5	-77.2	-105.5	0	0	0	112.1	F470 V474 I477 Y509 Q515 K516 W520 L521 V524 H859 V860	F470-F513 HydrophobicContact CD1-CD2 4.4Å; F470-F513 HydrophobicContact CD1-CE2 4.09Å; V474-F513 HydrophobicContact CG2-CD2 4.04Å; V474-F513 HydrophobicContact CG2-CE1 4.22Å; V474-F513 HydrophobicContact CG2-CE2 3.52Å; V474-F513 HydrophobicContact CG2-CZ 3.61Å; I477-F513 HydrophobicContact CD1-CE1 4.44Å; I477-F513 HydrophobicContact CD1-CZ 4.11Å; Y509-F513 HydrophobicContact CD2-CB 4.11Å; Y509-F513 AromaticContact CD2-CD2 3.49Å; Y509-F513 HydrophobicContact CD2-CD2 3.49Å; Y509-F513 VanDerWaalsContact CD2-CD2 3.49Å; Y509-F513 HydrophobicContact CD2-CE2 4.04Å; Y509-F513 AromaticContact CD2-CG 3.79Å; Y509-F513 HydrophobicContact CD2-CG 3.79Å; Y509-F513 HydrophobicContact CE2-CB 4.01Å; Y509-F513 HydrophobicContact CE2-CD1 4.06Å; Y509-F513 AromaticContact CE2-CD2 3.85Å; Y509-F513 HydrophobicContact CE2-CD2 3.85Å; Y509-F513 HydrophobicContact CE2-CE2 4.36Å; Y509-F513 AromaticContact CE2-CG 3.69Å; Y509-F513 HydrophobicContact CE2-CG 3.69Å; Y509-F513 WeakPolarHBondContact O-CB 3.48Å; Y509-F513 PolarHBondContact O-N 3.49Å; F513-Q515 PolarHBondContact O-N 3.31Å; F513-K516 PolarHBondContact O-N 3.3Å; F513-W520 HydrophobicContact CD1-CB 4.25Å; F513-W520 HydrophobicContact CE1-CB 4.39Å; F513-L521 HydrophobicContact CB-CD2 4.03Å; F513-L521 HydrophobicContact CD1-CD2 4.2Å; F513-V524 HydrophobicContact CE1-CG2 3.97Å; F513-V524 HydrophobicContact CZ-CG2 3.6Å; F513-H859 PolarHBondContact O-CE1 2.93Å; F513-H859 PolarHBondContact O-NE2 3.36Å; F513-V860 HydrophobicContact CB-CG2 4.31Å
514	G	94.9	Very high	93.9	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19	172.1	0	0	0	0	0	114.5	T510 H859	T510-G514 WeakPolarHBondContact O-CA 3.28Å; T510-G514 PolarHBondContact O-N 2.8Å; G514-H859 PolarHBondContact O-CE1 2.86Å
515	Q	93.7	Very high	93.9	Very high	126 Å²	126	40.1 Å²	40.1	59%	0.589	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	10.8	176.9	-58.3	172	23	0	0	113.5	E511 F513	E511-Q515 PolarHBondContact O-NE2 3.02Å; F513-Q515 PolarHBondContact O-N 3.31Å
516	K	94	Very high	93.9	Very high	49 Å²	49	40 Å²	40	21%	0.213	21%	0.212	C	C	.	.	S	Bend	trans	-121.4	164.9	-178.1	-61.2	-67.7	160.8	172	0	111.4	V474 F513 W520 H859	V474-K516 HydrophobicContact CG1-CD 4.25Å; V474-K516 VanDerWaalsContact CG1-CE 3.45Å; V474-K516 HydrophobicContact CG1-CG 4.44Å; F513-K516 PolarHBondContact O-N 3.3Å; K516-W520 HydrophobicContact CB-CB 4.2Å; K516-W520 HydrophobicContact CB-CD2 3.94Å; K516-W520 HydrophobicContact CB-CE3 4.12Å; K516-W520 HydrophobicContact CB-CG 3.99Å; K516-W520 HydrophobicContact CD-CD2 4.21Å; K516-W520 HydrophobicContact CD-CE3 3.95Å; K516-W520 HydrophobicContact CD-CH2 3.98Å; K516-W520 HydrophobicContact CD-CZ2 4.23Å; K516-W520 HydrophobicContact CD-CZ3 3.85Å; K516-W520 HydrophobicContact CG-CD2 4.16Å; K516-W520 HydrophobicContact CG-CE3 3.86Å; K516-W520 HydrophobicContact CG-CZ3 4.2Å; K516-H859 PolarHBondContact O-CE1 3.09Å; K516-H859 PolarHBondContact O-NE2 3Å
517	P	91.8	Very high	93.7	Very high	72 Å²	72	40 Å²	40	47%	0.468	21%	0.212	S	C	.	.			trans	-65.6	152.5	172.4	-21.2	33.4	0	0	0	112.7	D519 W520	P517-D519 PolarHBondContact O-N 3.36Å; P517-D519 VanDerWaalsContact O-N 3.11Å; P517-W520 WeakPolarHBondContact O-CB 3.22Å; P517-W520 PolarHBondContact O-N 3.34Å
518	N	90.4	Very high	93.6	Very high	102 Å²	102	38.8 Å²	38.8	55%	0.545	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-52.5	-35.8	-178.3	-62	-0.2	0	0	0	113.6	W520 L521 H859	N518-W520 PolarHBondContact O-N 3.14Å; N518-L521 WeakPolarHBondContact O-CB 3.39Å; N518-L521 VanDerWaalsContact O-CG 3.28Å; N518-L521 WeakPolarHBondContact O-CG 3.24Å; N518-L521 PolarHBondContact O-N 2.73Å; N518-H859 VanDerWaalsContact OD1-CB 3.22Å; N518-H859 WeakPolarHBondContact OD1-CB 2.97Å; N518-H859 PolarHBondContact OD1-CD2 3.16Å
519	D	89.9	Confident	93.5	Very high	122 Å²	122	38.8 Å²	38.8	65%	0.652	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-58.8	-24	-178.5	-49.5	-22.8	0	0	0	112.7	P517 L521 G522	P517-D519 PolarHBondContact O-N 3.36Å; P517-D519 VanDerWaalsContact O-N 3.11Å; D519-L521 PolarHBondContact O-N 2.73Å; D519-G522 PolarHBondContact O-N 3.16Å
520	W	92.1	Very high	93.2	Very high	30 Å²	30	38.8 Å²	38.8	11%	0.114	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-70.2	-20.6	178.7	-72.5	49.1	0	0	0	113.1	V474 I477 Q478 F513 K516 P517 N518 G522 Y523	V474-W520 HydrophobicContact CB-CZ3 4.48Å; V474-W520 HydrophobicContact CG1-CZ3 3.93Å; V474-W520 HydrophobicContact CG2-CZ3 4.45Å; I477-W520 HydrophobicContact CB-CE3 4.43Å; I477-W520 HydrophobicContact CB-CZ3 3.97Å; I477-W520 HydrophobicContact CG2-CD2 4.31Å; I477-W520 HydrophobicContact CG2-CE3 3.72Å; I477-W520 HydrophobicContact CG2-CH2 4.05Å; I477-W520 HydrophobicContact CG2-CZ3 3.56Å; Q478-W520 HydrophobicContact CB-CH2 3.75Å; Q478-W520 HydrophobicContact CG-CH2 4.05Å; F513-W520 HydrophobicContact CD1-CB 4.25Å; F513-W520 HydrophobicContact CE1-CB 4.39Å; K516-W520 HydrophobicContact CB-CB 4.2Å; K516-W520 HydrophobicContact CB-CD2 3.94Å; K516-W520 HydrophobicContact CB-CE3 4.12Å; K516-W520 HydrophobicContact CB-CG 3.99Å; K516-W520 HydrophobicContact CD-CD2 4.21Å; K516-W520 HydrophobicContact CD-CE3 3.95Å; K516-W520 HydrophobicContact CD-CH2 3.98Å; K516-W520 HydrophobicContact CD-CZ2 4.23Å; K516-W520 HydrophobicContact CD-CZ3 3.85Å; K516-W520 HydrophobicContact CG-CD2 4.16Å; K516-W520 HydrophobicContact CG-CE3 3.86Å; K516-W520 HydrophobicContact CG-CZ3 4.2Å; P517-W520 WeakPolarHBondContact O-CB 3.22Å; P517-W520 PolarHBondContact O-N 3.34Å; N518-W520 PolarHBondContact O-N 3.14Å; W520-G522 PolarHBondContact O-N 3.46Å; W520-Y523 HydrophobicContact CB-CD2 4.18Å; W520-Y523 HydrophobicContact CB-CE2 4.39Å; W520-Y523 HydrophobicContact CD2-CD2 4.43Å; W520-Y523 HydrophobicContact CD2-CE2 4.36Å; W520-Y523 HydrophobicContact CG-CD2 4.17Å; W520-Y523 HydrophobicContact CG-CE2 4.02Å; W520-Y523 WeakPolarHBondContact O-CB 3.41Å; W520-Y523 PolarHBondContact O-N 3.17Å; W520-Y523 VanDerWaalsContact O-N 3.14Å
521	L	91.7	Very high	92.8	Very high	37 Å²	37	39.4 Å²	39.4	19%	0.194	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-66.5	-26.2	179.1	-53.9	-174.1	0	0	0	111.8	Y509 F513 N518 D519 Y523 V860	Y509-L521 HydrophobicContact CE2-CD2 4.46Å; F513-L521 HydrophobicContact CB-CD2 4.03Å; F513-L521 HydrophobicContact CD1-CD2 4.2Å; N518-L521 WeakPolarHBondContact O-CB 3.39Å; N518-L521 VanDerWaalsContact O-CG 3.28Å; N518-L521 WeakPolarHBondContact O-CG 3.24Å; N518-L521 PolarHBondContact O-N 2.73Å; D519-L521 PolarHBondContact O-N 2.73Å; L521-Y523 VanDerWaalsContact C-N 3.29Å; L521-Y523 PolarHBondContact O-N 3.09Å; L521-V860 HydrophobicContact CD2-CG1 4.22Å; L521-V860 HydrophobicContact CD2-CG2 3.99Å
522	G	90.8	Very high	92.4	Very high	46 Å²	46	37.7 Å²	37.7	47%	0.474	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-72.8	-16.6	174.4	0	0	0	0	0	114.6	D519 W520 V524	D519-G522 PolarHBondContact O-N 3.16Å; W520-G522 PolarHBondContact O-N 3.46Å; G522-V524 VanDerWaalsContact C-N 3.32Å; G522-V524 PolarHBondContact O-N 3.03Å
523	Y	92	Very high	92.1	Very high	37 Å²	37	41.8 Å²	41.8	15%	0.145	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-82.5	-3.2	-176.2	-55.8	-25.1	0	0	0	114.1	I477 P488 I491 W520 L521	I477-Y523 HydrophobicContact CG2-CD2 3.67Å; I477-Y523 HydrophobicContact CG2-CE2 4.23Å; P488-Y523 HydrophobicContact CB-CD1 4.23Å; P488-Y523 HydrophobicContact CB-CG 4.2Å; P488-Y523 HydrophobicContact CG-CD1 4.22Å; P488-Y523 HydrophobicContact CG-CD2 3.97Å; P488-Y523 HydrophobicContact CG-CE1 4.33Å; P488-Y523 HydrophobicContact CG-CE2 4.04Å; P488-Y523 HydrophobicContact CG-CG 4.07Å; I491-Y523 WeakPolarHBondContact CB-O 3.04Å; I491-Y523 PolarHBondContact N-O 3.06Å; W520-Y523 HydrophobicContact CB-CD2 4.18Å; W520-Y523 HydrophobicContact CB-CE2 4.39Å; W520-Y523 HydrophobicContact CD2-CD2 4.43Å; W520-Y523 HydrophobicContact CD2-CE2 4.36Å; W520-Y523 HydrophobicContact CG-CD2 4.17Å; W520-Y523 HydrophobicContact CG-CE2 4.02Å; W520-Y523 WeakPolarHBondContact O-CB 3.41Å; W520-Y523 PolarHBondContact O-N 3.17Å; W520-Y523 VanDerWaalsContact O-N 3.14Å; L521-Y523 VanDerWaalsContact C-N 3.29Å; L521-Y523 PolarHBondContact O-N 3.09Å
524	V	92.3	Very high	91.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	137.6	-177.5	178.9	0	0	0	0	111	L473 I477 I491 L493 F513 G522 F526 P864	L473-V524 HydrophobicContact CD2-CG2 4.22Å; I477-V524 HydrophobicContact CD1-CG2 4.16Å; I491-V524 WeakPolarHBondContact O-CA 3.11Å; L493-V524 HydrophobicContact CD1-CG1 3.43Å; L493-V524 VanDerWaalsContact CD1-CG1 3.43Å; L493-V524 HydrophobicContact CG-CG1 3.99Å; F513-V524 HydrophobicContact CE1-CG2 3.97Å; F513-V524 HydrophobicContact CZ-CG2 3.6Å; G522-V524 VanDerWaalsContact C-N 3.32Å; G522-V524 PolarHBondContact O-N 3.03Å; V524-F526 HydrophobicContact CG1-CD1 4.41Å; V524-F526 HydrophobicContact CG1-CD2 4.41Å; V524-F526 HydrophobicContact CG1-CE1 3.86Å; V524-F526 HydrophobicContact CG1-CE2 3.83Å; V524-F526 HydrophobicContact CG1-CZ 3.53Å; V524-P864 WeakPolarHBondContact O-CG 3.36Å
525	R	93.4	Very high	91.7	Very high	81 Å²	81	41.9 Å²	41.9	31%	0.306	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	172	-63.3	178.5	-175.6	-171.8	-0.1	109.3	P490 I491 L493 Y527 V587	P490-R525 HydrophobicContact CB-CG 4.23Å; I491-R525 PolarHBondContact O-N 3.18Å; L493-R525 PolarHBondContact N-O 3.11Å; R525-Y527 HydrophobicContact CB-CE2 3.82Å; R525-V587 HydrophobicContact CG-CG2 4.35Å
526	F	95.5	Very high	91.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.7	-176.7	-61	-78.2	0	0	0	111.4	F470 L493 L495 Y509 V524 F863 P864 V865 G866	F470-F526 AromaticContact CE1-CE1 3.88Å; F470-F526 HydrophobicContact CE1-CE1 3.88Å; F470-F526 AromaticContact CE1-CZ 3.94Å; F470-F526 HydrophobicContact CE1-CZ 3.94Å; F470-F526 AromaticContact CZ-CE1 3.78Å; F470-F526 HydrophobicContact CZ-CE1 3.78Å; F470-F526 HydrophobicContact CZ-CZ 4.27Å; L493-F526 HydrophobicContact CB-CD1 4.15Å; L493-F526 HydrophobicContact CD1-CD1 4.13Å; L493-F526 HydrophobicContact CD1-CE1 3.66Å; L493-F526 HydrophobicContact CD1-CZ 4.42Å; L495-F526 HydrophobicContact CD1-CB 4.23Å; L495-F526 HydrophobicContact CD1-CD1 3.79Å; L495-F526 HydrophobicContact CD1-CG 4.36Å; L495-F526 HydrophobicContact CD2-CD1 4.25Å; L495-F526 HydrophobicContact CG-CD1 4.18Å; Y509-F526 HydrophobicContact CD1-CE2 4.22Å; Y509-F526 HydrophobicContact CD1-CZ 4.44Å; Y509-F526 AromaticContact CD2-CE2 3.84Å; Y509-F526 HydrophobicContact CD2-CE2 3.84Å; Y509-F526 AromaticContact CD2-CZ 3.52Å; Y509-F526 HydrophobicContact CD2-CZ 3.52Å; Y509-F526 HydrophobicContact CE1-CE2 4.22Å; Y509-F526 AromaticContact CE2-CE2 3.85Å; Y509-F526 HydrophobicContact CE2-CE2 3.85Å; Y509-F526 AromaticContact CE2-CZ 3.93Å; Y509-F526 HydrophobicContact CE2-CZ 3.93Å; Y509-F526 HydrophobicContact CG-CE2 4.01Å; Y509-F526 AromaticContact CG-CZ 3.79Å; Y509-F526 HydrophobicContact CG-CZ 3.79Å; V524-F526 HydrophobicContact CG1-CD1 4.41Å; V524-F526 HydrophobicContact CG1-CD2 4.41Å; V524-F526 HydrophobicContact CG1-CE1 3.86Å; V524-F526 HydrophobicContact CG1-CE2 3.83Å; V524-F526 HydrophobicContact CG1-CZ 3.53Å; F526-F863 HydrophobicContact CB-CE1 3.97Å; F526-F863 HydrophobicContact CB-CE2 4.36Å; F526-F863 HydrophobicContact CB-CZ 3.75Å; F526-F863 AromaticContact CD1-CE2 3.94Å; F526-F863 HydrophobicContact CD1-CE2 3.94Å; F526-F863 AromaticContact CD1-CZ 3.85Å; F526-F863 HydrophobicContact CD1-CZ 3.85Å; F526-F863 AromaticContact CD2-CD2 3.69Å; F526-F863 HydrophobicContact CD2-CD2 3.69Å; F526-F863 HydrophobicContact CD2-CE1 4.22Å; F526-F863 AromaticContact CD2-CE2 3.33Å; F526-F863 HydrophobicContact CD2-CE2 3.33Å; F526-F863 HydrophobicContact CD2-CG 4.28Å; F526-F863 AromaticContact CD2-CZ 3.63Å; F526-F863 HydrophobicContact CD2-CZ 3.63Å; F526-F863 HydrophobicContact CE1-CE2 4.01Å; F526-F863 HydrophobicContact CE1-CZ 4.35Å; F526-F863 AromaticContact CE2-CD2 3.72Å; F526-F863 HydrophobicContact CE2-CD2 3.72Å; F526-F863 AromaticContact CE2-CE2 3.43Å; F526-F863 HydrophobicContact CE2-CE2 3.43Å; F526-F863 VanDerWaalsContact CE2-CE2 3.43Å; F526-F863 HydrophobicContact CE2-CZ 4.18Å; F526-F863 HydrophobicContact CG-CD2 4.37Å; F526-F863 HydrophobicContact CG-CE1 4.1Å; F526-F863 AromaticContact CG-CE2 3.6Å; F526-F863 HydrophobicContact CG-CE2 3.6Å; F526-F863 AromaticContact CG-CZ 3.43Å; F526-F863 HydrophobicContact CG-CZ 3.43Å; F526-F863 VanDerWaalsContact CG-CZ 3.43Å; F526-F863 HydrophobicContact CZ-CD2 4.42Å; F526-F863 AromaticContact CZ-CE2 3.78Å; F526-F863 HydrophobicContact CZ-CE2 3.78Å; F526-P864 HydrophobicContact CD2-CG 4.02Å; F526-P864 HydrophobicContact CE2-CG 4.16Å; F526-P864 PolarHBondContact N-O 3.46Å; F526-V865 HydrophobicContact CB-CG2 4.47Å; F526-V865 CarbonylContact O-C 3.51Å; F526-V865 WeakPolarHBondContact O-CA 3.49Å; F526-G866 PolarHBondContact O-N 3.26Å
527	Y	94.5	Very high	91.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	82.4	-180	-73	-99.7	0	0	0	108.9	Q492 L493 C494 L495 R525 V529 Y580 L581 A584	Q492-Y527 HydrophobicContact CB-CD2 4.03Å; Q492-Y527 HydrophobicContact CB-CE2 3.78Å; Q492-Y527 HydrophobicContact CG-CD2 4.44Å; Q492-Y527 HydrophobicContact CG-CE2 3.69Å; Q492-Y527 PolarHBondContact NE2-OH 3.31Å; L493-Y527 PolarHBondContact O-N 3.03Å; C494-Y527 WeakPolarHBondContact CA-O 3.38Å; L495-Y527 PolarHBondContact N-O 3.29Å; R525-Y527 HydrophobicContact CB-CE2 3.82Å; Y527-V529 PolarHBondContact O-N 3.13Å; Y527-Y580 HydrophobicContact CD1-CD1 4.18Å; Y527-Y580 HydrophobicContact CD1-CD2 4.1Å; Y527-Y580 AromaticContact CD1-CE1 3.92Å; Y527-Y580 HydrophobicContact CD1-CE1 3.92Å; Y527-Y580 AromaticContact CD1-CE2 3.81Å; Y527-Y580 HydrophobicContact CD1-CE2 3.81Å; Y527-Y580 HydrophobicContact CD1-CG 4.26Å; Y527-Y580 AromaticContact CD1-CZ 3.71Å; Y527-Y580 HydrophobicContact CE1-CE2 4.42Å; Y527-Y580 HydrophobicContact CG-CE1 4.29Å; Y527-L581 HydrophobicContact CD1-CD2 3.92Å; Y527-L581 HydrophobicContact CD2-CD2 4.1Å; Y527-L581 HydrophobicContact CG-CD2 3.67Å; Y527-A584 HydrophobicContact CD1-CB 4.46Å; Y527-A584 HydrophobicContact CE1-CB 3.9Å; Y527-A584 VanDerWaalsContact CE1-O 3.26Å; Y527-A584 WeakPolarHBondContact CE1-O 3.5Å; Y527-A584 PolarHBondContact OH-O 3.2Å
528	P	94.4	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.7	-179.7	-17.6	32.5	0	0	0	112.1	L495 F502 W536 L540 Y547 Y580 V865	L495-P528 CarbonylContact O-C 3.54Å; L495-P528 WeakPolarHBondContact O-CA 3.37Å; F502-P528 HydrophobicContact CD1-CB 4.47Å; F502-P528 HydrophobicContact CE1-CB 4.1Å; F502-P528 HydrophobicContact CZ-CB 4.12Å; P528-W536 HydrophobicContact CG-CZ3 4.47Å; P528-L540 HydrophobicContact CB-CD1 4Å; P528-L540 HydrophobicContact CG-CD1 4.14Å; P528-Y547 VanDerWaalsContact O-CE2 3.25Å; P528-Y547 WeakPolarHBondContact O-CE2 3.32Å; P528-Y547 PolarHBondContact O-OH 3.08Å; P528-Y580 WeakPolarHBondContact CD-OH 3.14Å; P528-Y580 WeakPolarHBondContact O-CE1 3.42Å; P528-V865 HydrophobicContact CG-CG1 4.16Å; P528-V865 HydrophobicContact CG-CG2 4.29Å
529	V	92.7	Very high	91.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	105.2	174.1	179.2	0	0	0	0	107.1	L495 L496 G497 Y527 F551 W556 I577 Y580	L495-V529 PolarHBondContact O-N 3.2Å; L496-V529 HydrophobicContact CD1-CB 3.87Å; L496-V529 HydrophobicContact CD1-CG1 3.61Å; G497-V529 PolarHBondContact N-O 2.84Å; G497-V529 VanDerWaalsContact N-O 3.14Å; Y527-V529 PolarHBondContact O-N 3.13Å; V529-F551 HydrophobicContact CG1-CD1 4.08Å; V529-F551 HydrophobicContact CG1-CE1 3.9Å; V529-F551 HydrophobicContact CG1-CZ 4.28Å; V529-F551 HydrophobicContact CG2-CE2 4.36Å; V529-F551 HydrophobicContact CG2-CZ 4.1Å; V529-W556 HydrophobicContact CG1-CH2 4.14Å; V529-W556 HydrophobicContact CG1-CZ2 3.5Å; V529-W556 VanDerWaalsContact CG1-CZ2 3.5Å; V529-I577 HydrophobicContact CG1-CG1 4.42Å; V529-Y580 HydrophobicContact CG2-CD1 3.67Å; V529-Y580 HydrophobicContact CG2-CE1 3.89Å
530	A	90.8	Very high	91.9	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.1	-177.4	0	0	0	0	0	111.2	G497 F502 L537 W556	G497-A530 CarbonylContact O-C 3.52Å; G497-A530 WeakPolarHBondContact O-CA 3.5Å; F502-A530 HydrophobicContact CE2-CB 4.27Å; F502-A530 HydrophobicContact CZ-CB 4.46Å; A530-L537 HydrophobicContact CB-CB 3.69Å; A530-L537 HydrophobicContact CB-CD1 3.89Å; A530-L537 HydrophobicContact CB-CD2 4.36Å; A530-L537 HydrophobicContact CB-CG 4.17Å; A530-W556 PolarHBondContact O-NE1 2.87Å
531	C	87.5	Confident	92	Very high	17 Å²	17	27.8 Å²	27.8	12%	0.115	15%	0.15	C	C	.	.	S	Bend	trans	-90.4	-8.7	174.3	-59.9	0	0	0	0	112.9	L496 G497 W560	L496-C531 WeakPolarHBondContact CD1-SG 3.48Å; G497-C531 PolarHBondContact O-N 3.17Å; C531-W560 HydrophobicContact CB-CB 4.44Å; C531-W560 HydrophobicContact CB-CD2 3.68Å; C531-W560 HydrophobicContact CB-CE3 3.97Å; C531-W560 HydrophobicContact CB-CG 3.86Å; C531-W560 VanDerWaalsContact O-CB 3.23Å; C531-W560 WeakPolarHBondContact O-CB 3.07Å
532	C	86.7	Confident	91.9	Very high	48 Å²	48	30.1 Å²	30.1	32%	0.324	17%	0.169	S	C	.	.	S	Bend	trans	-144.4	163.3	-177.5	61.4	0	0	0	0	110.7	G498 G534	G498-C532 VanDerWaalsContact CA-SG 3.55Å; C532-G534 PolarHBondContact O-N 2.97Å
533	S	89.3	Confident	91.6	Very high	86 Å²	86	29 Å²	29	60%	0.601	15%	0.152	S	C	*	.			trans	-69.2	100	175.4	-171.2	0	0	0	0	110.9
534	G	91	Very high	91.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	15%	0.145	C	C	.	.			trans	-116.5	175	-177.6	0	0	0	0	0	113.7	D499 C532 W536 R538	D499-G534 VanDerWaalsContact OD1-CA 3.31Å; D499-G534 WeakPolarHBondContact OD1-CA 3.39Å; D499-G534 VanDerWaalsContact OD2-CA 3.25Å; D499-G534 WeakPolarHBondContact OD2-CA 3.16Å; C532-G534 PolarHBondContact O-N 2.97Å; G534-W536 VanDerWaalsContact C-N 3.35Å; G534-R538 PolarHBondContact O-N 3.43Å; G534-R538 PolarHBondContact O-NE 2.95Å; G534-R538 PolarHBondContact O-NH2 3.39Å
535	I	92.1	Very high	91.6	Very high	22 Å²	22	33.6 Å²	33.6	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-70.7	-34.3	168.3	-166.3	61.7	0	0	0	110.9	D499 R538 Y539 V617 D840	D499-I535 VanDerWaalsContact CG-N 3.3Å; D499-I535 PolarHBondContact OD1-N 2.59Å; D499-I535 PolarHBondContact OD2-N 2.78Å; I535-R538 PolarHBondContact O-N 2.98Å; I535-Y539 WeakPolarHBondContact O-CB 3.29Å; I535-Y539 PolarHBondContact O-N 2.81Å; I535-V617 HydrophobicContact CG1-CG1 3.84Å; I535-D840 WeakPolarHBondContact CG2-O 3.41Å
536	W	92.7	Very high	91.7	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-46.7	176.3	-80.7	83.6	0	0	0	112	D499 F502 P528 G534 R538 Y539 L540 M590 V616 F863	D499-W536 PolarHBondContact OD1-N 3.5Å; D499-W536 VanDerWaalsContact OD1-N 3.11Å; F502-W536 HydrophobicContact CB-CD2 3.99Å; F502-W536 HydrophobicContact CB-CG 4.19Å; F502-W536 HydrophobicContact CB-CZ2 4.05Å; F502-W536 HydrophobicContact CD2-CB 3.63Å; F502-W536 AromaticContact CD2-CD1 3.84Å; F502-W536 AromaticContact CD2-CD2 3.99Å; F502-W536 HydrophobicContact CD2-CD2 3.99Å; F502-W536 AromaticContact CD2-CG 3.54Å; F502-W536 HydrophobicContact CD2-CG 3.54Å; F502-W536 HydrophobicContact CE2-CB 3.97Å; F502-W536 HydrophobicContact CE2-CG 4.36Å; F502-W536 HydrophobicContact CG-CD2 4.29Å; F502-W536 HydrophobicContact CG-CG 4.26Å; P528-W536 HydrophobicContact CG-CZ3 4.47Å; G534-W536 VanDerWaalsContact C-N 3.35Å; W536-R538 VanDerWaalsContact C-N 3.34Å; W536-R538 PolarHBondContact O-N 3.4Å; W536-Y539 PolarHBondContact O-N 3.32Å; W536-L540 WeakPolarHBondContact O-CG 3.27Å; W536-L540 PolarHBondContact O-N 3.2Å; W536-M590 HydrophobicContact CE3-CE 4.36Å; W536-M590 HydrophobicContact CH2-CE 4.31Å; W536-M590 HydrophobicContact CZ3-CE 3.86Å; W536-M590 HydrophobicContact CZ3-SD 4Å; W536-V616 HydrophobicContact CH2-CG2 3.33Å; W536-V616 HydrophobicContact CZ2-CG2 3.45Å; W536-V616 VanDerWaalsContact CZ2-CG2 3.45Å; W536-V616 HydrophobicContact CZ3-CG2 4.07Å; W536-F863 AromaticContact CH2-CD1 3.83Å; W536-F863 HydrophobicContact CH2-CD1 3.83Å; W536-F863 AromaticContact CH2-CE1 3.67Å; W536-F863 HydrophobicContact CH2-CE1 3.67Å; W536-F863 HydrophobicContact CZ3-CD1 4.14Å; W536-F863 AromaticContact CZ3-CE1 3.9Å; W536-F863 HydrophobicContact CZ3-CE1 3.9Å
537	L	94.1	Very high	91.7	Very high	6 Å²	6	32 Å²	32	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-56.9	-48.6	177	178.6	63.4	0	0	0	111.1	A530 S541 Y547 F551 L557	A530-L537 HydrophobicContact CB-CB 3.69Å; A530-L537 HydrophobicContact CB-CD1 3.89Å; A530-L537 HydrophobicContact CB-CD2 4.36Å; A530-L537 HydrophobicContact CB-CG 4.17Å; L537-S541 WeakPolarHBondContact O-CB 3.49Å; L537-S541 PolarHBondContact O-N 3.29Å; L537-S541 PolarHBondContact O-OG 3.03Å; L537-Y547 HydrophobicContact CD1-CE1 3.97Å; L537-F551 HydrophobicContact CD1-CB 4.1Å; L537-F551 WeakPolarHBondContact CD1-O 3.46Å; L537-L557 HydrophobicContact CD2-CD1 4.13Å; L537-L557 HydrophobicContact CD2-CD2 3.95Å; L537-L557 HydrophobicContact CD2-CG 4.49Å
538	R	92.9	Very high	91.7	Very high	141 Å²	141	34.4 Å²	34.4	53%	0.532	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-40.4	179.3	-78.2	174.8	-76.4	170.5	-10.2	112.5	G534 I535 W536 S542	G534-R538 PolarHBondContact O-N 3.43Å; G534-R538 PolarHBondContact O-NE 2.95Å; G534-R538 PolarHBondContact O-NH2 3.39Å; I535-R538 PolarHBondContact O-N 2.98Å; W536-R538 VanDerWaalsContact C-N 3.34Å; W536-R538 PolarHBondContact O-N 3.4Å; R538-S542 WeakPolarHBondContact O-CB 3.5Å; R538-S542 PolarHBondContact O-N 3.38Å; R538-S542 PolarHBondContact O-OG 2.95Å
539	Y	91.9	Very high	91.7	Very high	44 Å²	44	38.4 Å²	38.4	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-54.2	178.7	-176.5	-96.2	0	0	0	111.7	I535 W536 S541 S542 M543 M590 V617	I535-Y539 WeakPolarHBondContact O-CB 3.29Å; I535-Y539 PolarHBondContact O-N 2.81Å; W536-Y539 PolarHBondContact O-N 3.32Å; Y539-S541 VanDerWaalsContact C-N 3.32Å; Y539-S541 PolarHBondContact O-N 2.96Å; Y539-S542 PolarHBondContact O-N 3.09Å; Y539-S542 PolarHBondContact O-OG 2.88Å; Y539-M543 HydrophobicContact CD1-SD 4.04Å; Y539-M543 HydrophobicContact CE1-CG 4.43Å; Y539-M543 HydrophobicContact CE1-SD 3.24Å; Y539-M543 WeakPolarHBondContact CE1-SD 3.33Å; Y539-M543 HydrophobicContact CE2-SD 4.26Å; Y539-M543 PolarHBondContact O-N 3.15Å; Y539-M543 PolarHBondContact OH-SD 2.66Å; Y539-M543 VanDerWaalsContact OH-SD 3.42Å; Y539-M590 HydrophobicContact CD1-CE 3.82Å; Y539-M590 HydrophobicContact CE1-CE 3.57Å; Y539-M590 HydrophobicContact CE1-SD 4.44Å; Y539-V617 HydrophobicContact CD1-CG2 4.17Å; Y539-V617 HydrophobicContact CD2-CG1 3.56Å; Y539-V617 HydrophobicContact CD2-CG2 4.45Å; Y539-V617 HydrophobicContact CE2-CG1 4.26Å; Y539-V617 HydrophobicContact CG-CG1 3.79Å; Y539-V617 HydrophobicContact CG-CG2 4Å
540	L	92.4	Very high	91.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-41.1	178.2	-65.8	174.4	0	0	0	111.7	P528 W536 S542 M543 D544 Y547 M590 V865	P528-L540 HydrophobicContact CB-CD1 4Å; P528-L540 HydrophobicContact CG-CD1 4.14Å; W536-L540 WeakPolarHBondContact O-CG 3.27Å; W536-L540 PolarHBondContact O-N 3.2Å; L540-S542 PolarHBondContact O-N 2.71Å; L540-M543 PolarHBondContact O-N 3.04Å; L540-M543 VanDerWaalsContact O-N 3.07Å; L540-D544 PolarHBondContact O-N 3.14Å; L540-Y547 HydrophobicContact CB-CD1 3.71Å; L540-Y547 HydrophobicContact CB-CE1 3.5Å; L540-Y547 HydrophobicContact CB-CE2 4.5Å; L540-Y547 HydrophobicContact CB-CG 4.31Å; L540-Y547 HydrophobicContact CD1-CE1 4.14Å; L540-Y547 HydrophobicContact CD1-CE2 4.12Å; L540-Y547 HydrophobicContact CG-CE1 4.48Å; L540-M590 HydrophobicContact CD2-SD 4.26Å; L540-V865 HydrophobicContact CD2-CG1 4.06Å
541	S	92.8	Very high	91.9	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-24	174.2	-65.5	0	0	0	0	114.6	L537 Y539	L537-S541 WeakPolarHBondContact O-CB 3.49Å; L537-S541 PolarHBondContact O-N 3.29Å; L537-S541 PolarHBondContact O-OG 3.03Å; Y539-S541 VanDerWaalsContact C-N 3.32Å; Y539-S541 PolarHBondContact O-N 2.96Å
542	S	89.1	Confident	92.1	Very high	85 Å²	85	39.9 Å²	39.9	59%	0.594	21%	0.21	S	C	*	.	H	α-helix	trans	-85.1	-13.7	175.9	71.2	0	0	0	0	113.6	R538 Y539 L540	R538-S542 WeakPolarHBondContact O-CB 3.5Å; R538-S542 PolarHBondContact O-N 3.38Å; R538-S542 PolarHBondContact O-OG 2.95Å; Y539-S542 PolarHBondContact O-N 3.09Å; Y539-S542 PolarHBondContact O-OG 2.88Å; L540-S542 PolarHBondContact O-N 2.71Å
543	M	86.3	Confident	92.4	Very high	24 Å²	24	41.2 Å²	41.2	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-104.6	-25	178.7	-63.1	-171.6	71.9	0	0	113.3	Y539 L540 L588 P756 L870 D871	Y539-M543 HydrophobicContact CD1-SD 4.04Å; Y539-M543 HydrophobicContact CE1-CG 4.43Å; Y539-M543 HydrophobicContact CE1-SD 3.24Å; Y539-M543 WeakPolarHBondContact CE1-SD 3.33Å; Y539-M543 HydrophobicContact CE2-SD 4.26Å; Y539-M543 PolarHBondContact O-N 3.15Å; Y539-M543 PolarHBondContact OH-SD 2.66Å; Y539-M543 VanDerWaalsContact OH-SD 3.42Å; L540-M543 PolarHBondContact O-N 3.04Å; L540-M543 VanDerWaalsContact O-N 3.07Å; M543-L588 HydrophobicContact CE-CD1 3.71Å; M543-L588 HydrophobicContact CE-CD2 3.67Å; M543-L588 HydrophobicContact CE-CG 4.36Å; M543-L588 HydrophobicContact SD-CD2 3.72Å; M543-P756 HydrophobicContact CE-CG 4.06Å; M543-L870 HydrophobicContact CB-CD2 4.49Å; M543-L870 HydrophobicContact CE-CD2 4.09Å; M543-D871 PolarHBondContact O-N 3Å
544	D	91.4	Very high	92.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.			trans	-138.6	104.5	-177	-178.1	-18.3	0	0	0	110.4	L540 T546 Y547 F548 F868 Q869	L540-D544 PolarHBondContact O-N 3.14Å; D544-T546 PolarHBondContact O-N 3.26Å; D544-T546 WeakPolarHBondContact OD1-CA 3.47Å; D544-T546 VanDerWaalsContact OD1-CB 3.25Å; D544-T546 WeakPolarHBondContact OD1-CB 3.48Å; D544-T546 PolarHBondContact OD1-N 2.88Å; D544-Y547 WeakPolarHBondContact O-CB 3.26Å; D544-Y547 PolarHBondContact O-N 2.89Å; D544-Y547 PolarHBondContact OD1-N 2.97Å; D544-F548 PolarHBondContact O-N 3.14Å; D544-F868 WeakPolarHBondContact OD2-CB 3.36Å; D544-F868 WeakPolarHBondContact OD2-CD2 3.43Å; D544-F868 PolarHBondContact OD2-N 3.1Å; D544-Q869 WeakPolarHBondContact CB-O 3.35Å; D544-Q869 VanDerWaalsContact CG-O 3.27Å; D544-Q869 PolarHBondContact OD2-N 2.88Å
545	R	92.1	Very high	92.5	Very high	133 Å²	133	44.1 Å²	44.1	50%	0.502	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-29.2	177.3	-167.1	62.5	177.4	-178.4	1.5	113.4	F548 N549 D871	R545-F548 PolarHBondContact O-N 2.92Å; R545-N549 WeakPolarHBondContact O-CB 3.33Å; R545-N549 PolarHBondContact O-N 2.77Å; R545-N549 PolarHBondContact O-ND2 2.82Å; R545-D871 VanDerWaalsContact CB-OD2 3.24Å; R545-D871 WeakPolarHBondContact CB-OD2 3.4Å; R545-D871 PolarHBondContact N-OD2 2.79Å
546	T	95.2	Very high	92.5	Very high	46 Å²	46	43.8 Å²	43.8	28%	0.282	23%	0.233	S	C	.	.	H	α-helix	trans	-71.6	-40.7	177.7	-56.9	0	0	0	0	110.3	D544 N549 L550 F868	D544-T546 PolarHBondContact O-N 3.26Å; D544-T546 WeakPolarHBondContact OD1-CA 3.47Å; D544-T546 VanDerWaalsContact OD1-CB 3.25Å; D544-T546 WeakPolarHBondContact OD1-CB 3.48Å; D544-T546 PolarHBondContact OD1-N 2.88Å; T546-N549 PolarHBondContact O-N 3.39Å; T546-L550 HydrophobicContact CG2-CD1 4.42Å; T546-L550 WeakPolarHBondContact O-CG 3.36Å; T546-L550 PolarHBondContact O-N 2.72Å; T546-F868 HydrophobicContact CG2-CB 4Å; T546-F868 HydrophobicContact CG2-CD1 3.85Å; T546-F868 HydrophobicContact CG2-CD2 3.78Å; T546-F868 HydrophobicContact CG2-CE1 4.19Å; T546-F868 HydrophobicContact CG2-CE2 4.16Å; T546-F868 HydrophobicContact CG2-CG 3.62Å; T546-F868 HydrophobicContact CG2-CZ 4.34Å
547	Y	95.3	Very high	92.3	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-46.7	170.3	-175.3	-84.9	0	0	0	111.7	P528 L537 L540 D544 N549 L550 F551 Y580	P528-Y547 VanDerWaalsContact O-CE2 3.25Å; P528-Y547 WeakPolarHBondContact O-CE2 3.32Å; P528-Y547 PolarHBondContact O-OH 3.08Å; L537-Y547 HydrophobicContact CD1-CE1 3.97Å; L540-Y547 HydrophobicContact CB-CD1 3.71Å; L540-Y547 HydrophobicContact CB-CE1 3.5Å; L540-Y547 HydrophobicContact CB-CE2 4.5Å; L540-Y547 HydrophobicContact CB-CG 4.31Å; L540-Y547 HydrophobicContact CD1-CE1 4.14Å; L540-Y547 HydrophobicContact CD1-CE2 4.12Å; L540-Y547 HydrophobicContact CG-CE1 4.48Å; D544-Y547 WeakPolarHBondContact O-CB 3.26Å; D544-Y547 PolarHBondContact O-N 2.89Å; D544-Y547 PolarHBondContact OD1-N 2.97Å; Y547-N549 VanDerWaalsContact C-N 3.34Å; Y547-N549 PolarHBondContact O-N 2.9Å; Y547-L550 PolarHBondContact O-N 3.47Å; Y547-L550 VanDerWaalsContact O-N 3.17Å; Y547-F551 HydrophobicContact CD1-CD2 4.46Å; Y547-F551 AromaticContact CD2-CD2 3.73Å; Y547-F551 HydrophobicContact CD2-CD2 3.73Å; Y547-F551 HydrophobicContact CD2-CE2 4.08Å; Y547-F551 HydrophobicContact CE1-CB 4.37Å; Y547-F551 HydrophobicContact CE1-CD2 4.27Å; Y547-F551 AromaticContact CE2-CD2 3.5Å; Y547-F551 HydrophobicContact CE2-CD2 3.5Å; Y547-F551 AromaticContact CE2-CE2 3.93Å; Y547-F551 HydrophobicContact CE2-CE2 3.93Å; Y547-F551 HydrophobicContact CG-CD2 4.19Å; Y547-F551 AromaticContact CZ-CD2 3.79Å; Y547-F551 PolarHBondContact O-N 3.28Å; Y547-Y580 HydrophobicContact CD2-CE2 4.08Å; Y547-Y580 HydrophobicContact CE2-CE1 4.06Å; Y547-Y580 HydrophobicContact CE2-CE2 4.35Å; Y547-Y580 AromaticContact CE2-CZ 3.83Å
548	F	94.5	Very high	92	Very high	50 Å²	50	48.9 Å²	48.9	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-44.1	174.9	173.3	-105.7	0	0	0	112.6	D544 R545 L550 G552 Q553	D544-F548 PolarHBondContact O-N 3.14Å; R545-F548 PolarHBondContact O-N 2.92Å; F548-L550 PolarHBondContact O-N 3.45Å; F548-G552 WeakPolarHBondContact CE2-O 3.33Å; F548-G552 CarbonylContact O-C 3.56Å; F548-G552 VanDerWaalsContact O-CA 3.24Å; F548-G552 WeakPolarHBondContact O-CA 3.49Å; F548-G552 PolarHBondContact O-N 2.85Å; F548-Q553 PolarHBondContact O-N 2.83Å
549	N	94.7	Very high	91.7	Very high	85 Å²	85	43.2 Å²	43.2	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-65.5	-22.8	-179.6	-70.8	-19.7	0	0	0	113.4	R545 T546 Y547	R545-N549 WeakPolarHBondContact O-CB 3.33Å; R545-N549 PolarHBondContact O-N 2.77Å; R545-N549 PolarHBondContact O-ND2 2.82Å; T546-N549 PolarHBondContact O-N 3.39Å; Y547-N549 VanDerWaalsContact C-N 3.34Å; Y547-N549 PolarHBondContact O-N 2.9Å
550	L	93.7	Very high	91.3	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-92.8	-45	178.4	-68	168.8	0	0	0	113.3	T546 Y547 F548 R579 F868	T546-L550 HydrophobicContact CG2-CD1 4.42Å; T546-L550 WeakPolarHBondContact O-CG 3.36Å; T546-L550 PolarHBondContact O-N 2.72Å; Y547-L550 PolarHBondContact O-N 3.47Å; Y547-L550 VanDerWaalsContact O-N 3.17Å; F548-L550 PolarHBondContact O-N 3.45Å; L550-R579 HydrophobicContact CD1-CG 4.48Å; L550-R579 VanDerWaalsContact CD2-NH1 3.29Å; L550-F868 HydrophobicContact CD1-CE1 4.09Å; L550-F868 HydrophobicContact CD1-CE2 3.65Å; L550-F868 HydrophobicContact CD1-CZ 3.23Å
551	F	94.4	Very high	90.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-120.3	-15.5	-169.1	-52.1	-54.7	0	0	0	114.4	V529 L537 Y547 W556 Y580	V529-F551 HydrophobicContact CG1-CD1 4.08Å; V529-F551 HydrophobicContact CG1-CE1 3.9Å; V529-F551 HydrophobicContact CG1-CZ 4.28Å; V529-F551 HydrophobicContact CG2-CE2 4.36Å; V529-F551 HydrophobicContact CG2-CZ 4.1Å; L537-F551 HydrophobicContact CD1-CB 4.1Å; L537-F551 WeakPolarHBondContact CD1-O 3.46Å; Y547-F551 HydrophobicContact CD1-CD2 4.46Å; Y547-F551 AromaticContact CD2-CD2 3.73Å; Y547-F551 HydrophobicContact CD2-CD2 3.73Å; Y547-F551 HydrophobicContact CD2-CE2 4.08Å; Y547-F551 HydrophobicContact CE1-CB 4.37Å; Y547-F551 HydrophobicContact CE1-CD2 4.27Å; Y547-F551 AromaticContact CE2-CD2 3.5Å; Y547-F551 HydrophobicContact CE2-CD2 3.5Å; Y547-F551 AromaticContact CE2-CE2 3.93Å; Y547-F551 HydrophobicContact CE2-CE2 3.93Å; Y547-F551 HydrophobicContact CG-CD2 4.19Å; Y547-F551 AromaticContact CZ-CD2 3.79Å; Y547-F551 PolarHBondContact O-N 3.28Å; F551-W556 AromaticContact CD1-CD2 3.74Å; F551-W556 HydrophobicContact CD1-CD2 3.74Å; F551-W556 AromaticContact CD1-CE2 3.53Å; F551-W556 AromaticContact CD1-CE3 3.92Å; F551-W556 HydrophobicContact CD1-CE3 3.92Å; F551-W556 HydrophobicContact CD1-CG 4.42Å; F551-W556 AromaticContact CD1-CH2 3.8Å; F551-W556 HydrophobicContact CD1-CH2 3.8Å; F551-W556 AromaticContact CD1-CZ2 3.61Å; F551-W556 HydrophobicContact CD1-CZ2 3.61Å; F551-W556 AromaticContact CD1-CZ3 3.93Å; F551-W556 HydrophobicContact CD1-CZ3 3.93Å; F551-W556 HydrophobicContact CE1-CE3 4.33Å; F551-W556 AromaticContact CE1-CH2 3.66Å; F551-W556 HydrophobicContact CE1-CH2 3.66Å; F551-W556 AromaticContact CE1-CZ2 3.87Å; F551-W556 HydrophobicContact CE1-CZ2 3.87Å; F551-W556 AromaticContact CE1-CZ3 3.89Å; F551-W556 HydrophobicContact CE1-CZ3 3.89Å; F551-Y580 AromaticContact CE2-CD1 3.65Å; F551-Y580 HydrophobicContact CE2-CD1 3.65Å; F551-Y580 HydrophobicContact CE2-CD2 4.42Å; F551-Y580 HydrophobicContact CE2-CE1 4.21Å; F551-Y580 AromaticContact CE2-CG 3.78Å; F551-Y580 HydrophobicContact CE2-CG 3.78Å; F551-Y580 AromaticContact CZ-CD1 3.94Å; F551-Y580 HydrophobicContact CZ-CD1 3.94Å; F551-Y580 HydrophobicContact CZ-CG 4.08Å
552	G	91.6	Very high	90	Very high	17 Å²	17	51 Å²	51	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-90	-5.6	-178.9	0	0	0	0	0	114.9	F548	F548-G552 WeakPolarHBondContact CE2-O 3.33Å; F548-G552 CarbonylContact O-C 3.56Å; F548-G552 VanDerWaalsContact O-CA 3.24Å; F548-G552 WeakPolarHBondContact O-CA 3.49Å; F548-G552 PolarHBondContact O-N 2.85Å
553	Q	93	Very high	89	Confident	77 Å²	77	50 Å²	50	36%	0.36	28%	0.277	S	S	.	.	S	Bend	trans	-75.4	144.2	176.4	-61.3	-62.2	-25.2	0	0	111	F548 A555 W556 L557	F548-Q553 PolarHBondContact O-N 2.83Å; Q553-A555 PolarHBondContact O-N 3.35Å; Q553-W556 WeakPolarHBondContact O-CB 3.45Å; Q553-W556 PolarHBondContact O-N 3.01Å; Q553-L557 PolarHBondContact O-N 2.87Å
554	S	91.1	Very high	88.2	Confident	81 Å²	81	55 Å²	55	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-56.5	-42.6	175.8	64.2	0	0	0	0	111.2	W556 L557 D558	S554-W556 PolarHBondContact O-N 3.44Å; S554-L557 CarbonylContact O-C 3.56Å; S554-L557 WeakPolarHBondContact O-CA 3.49Å; S554-L557 WeakPolarHBondContact O-CB 3.46Å; S554-L557 PolarHBondContact O-N 2.91Å; S554-D558 VanDerWaalsContact C-OD2 3.25Å; S554-D558 PolarHBondContact O-N 2.85Å; S554-D558 VanDerWaalsContact O-OD2 3.13Å
555	A	90.9	Very high	87.5	Confident	66 Å²	66	55.9 Å²	55.9	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-22.8	177.9	0	0	0	0	0	114.6	Q553 D558 L559	Q553-A555 PolarHBondContact O-N 3.35Å; A555-D558 PolarHBondContact N-OD2 2.82Å; A555-L559 WeakPolarHBondContact O-CG 3.47Å
556	W	91.5	Very high	87	Confident	15 Å²	15	52.1 Å²	52.1	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-77.3	-44.7	170.3	170.2	-94	0	0	0	111.3	V529 A530 F551 Q553 S554 L559 W560 V573 I577	V529-W556 HydrophobicContact CG1-CH2 4.14Å; V529-W556 HydrophobicContact CG1-CZ2 3.5Å; V529-W556 VanDerWaalsContact CG1-CZ2 3.5Å; A530-W556 PolarHBondContact O-NE1 2.87Å; F551-W556 AromaticContact CD1-CD2 3.74Å; F551-W556 HydrophobicContact CD1-CD2 3.74Å; F551-W556 AromaticContact CD1-CE2 3.53Å; F551-W556 AromaticContact CD1-CE3 3.92Å; F551-W556 HydrophobicContact CD1-CE3 3.92Å; F551-W556 HydrophobicContact CD1-CG 4.42Å; F551-W556 AromaticContact CD1-CH2 3.8Å; F551-W556 HydrophobicContact CD1-CH2 3.8Å; F551-W556 AromaticContact CD1-CZ2 3.61Å; F551-W556 HydrophobicContact CD1-CZ2 3.61Å; F551-W556 AromaticContact CD1-CZ3 3.93Å; F551-W556 HydrophobicContact CD1-CZ3 3.93Å; F551-W556 HydrophobicContact CE1-CE3 4.33Å; F551-W556 AromaticContact CE1-CH2 3.66Å; F551-W556 HydrophobicContact CE1-CH2 3.66Å; F551-W556 AromaticContact CE1-CZ2 3.87Å; F551-W556 HydrophobicContact CE1-CZ2 3.87Å; F551-W556 AromaticContact CE1-CZ3 3.89Å; F551-W556 HydrophobicContact CE1-CZ3 3.89Å; Q553-W556 WeakPolarHBondContact O-CB 3.45Å; Q553-W556 PolarHBondContact O-N 3.01Å; S554-W556 PolarHBondContact O-N 3.44Å; W556-L559 WeakPolarHBondContact O-CB 3.43Å; W556-L559 PolarHBondContact O-N 2.98Å; W556-W560 AromaticContact CE2-NE1 3.33Å; W556-W560 VanDerWaalsContact CE2-NE1 3.33Å; W556-W560 HydrophobicContact CH2-CZ2 4.25Å; W556-W560 AromaticContact CZ2-CE2 3.96Å; W556-W560 AromaticContact CZ2-CZ2 3.77Å; W556-W560 HydrophobicContact CZ2-CZ2 3.77Å; W556-W560 AromaticContact CZ2-NE1 3.51Å; W556-W560 AromaticContact NE1-CD1 3.95Å; W556-W560 AromaticContact NE1-NE1 3.32Å; W556-V573 HydrophobicContact CH2-CG1 4.02Å; W556-V573 HydrophobicContact CZ3-CB 4.47Å; W556-V573 HydrophobicContact CZ3-CG1 4.45Å; W556-V573 HydrophobicContact CZ3-CG2 4.38Å; W556-I577 HydrophobicContact CH2-CG1 4.28Å
557	L	89.4	Confident	86.3	Confident	33 Å²	33	58.5 Å²	58.5	17%	0.173	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-41.7	179.4	-61.5	177.1	0	0	0	111.8	L537 Q553 S554 L559 W560	L537-L557 HydrophobicContact CD2-CD1 4.13Å; L537-L557 HydrophobicContact CD2-CD2 3.95Å; L537-L557 HydrophobicContact CD2-CG 4.49Å; Q553-L557 PolarHBondContact O-N 2.87Å; S554-L557 CarbonylContact O-C 3.56Å; S554-L557 WeakPolarHBondContact O-CA 3.49Å; S554-L557 WeakPolarHBondContact O-CB 3.46Å; S554-L557 PolarHBondContact O-N 2.91Å; L557-L559 PolarHBondContact O-N 2.81Å; L557-W560 WeakPolarHBondContact O-CB 3.41Å; L557-W560 PolarHBondContact O-N 3.44Å
558	D	88.1	Confident	85.8	Confident	82 Å²	82	62.7 Å²	62.7	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-20.8	179.1	-58.3	-29.7	0	0	0	112.7	S554 A555 K562	S554-D558 VanDerWaalsContact C-OD2 3.25Å; S554-D558 PolarHBondContact O-N 2.85Å; S554-D558 VanDerWaalsContact O-OD2 3.13Å; A555-D558 PolarHBondContact N-OD2 2.82Å; D558-K562 WeakPolarHBondContact O-CE 3.35Å; D558-K562 WeakPolarHBondContact O-CG 3.47Å
559	L	86.4	Confident	85.5	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-71.6	-34.3	172.9	-64	169.7	0	0	0	111.8	A555 W556 L557 D561 K562 L565 E569 V573	A555-L559 WeakPolarHBondContact O-CG 3.47Å; W556-L559 WeakPolarHBondContact O-CB 3.43Å; W556-L559 PolarHBondContact O-N 2.98Å; L557-L559 PolarHBondContact O-N 2.81Å; L559-D561 VanDerWaalsContact C-N 3.3Å; L559-D561 PolarHBondContact O-N 3.04Å; L559-K562 PolarHBondContact O-N 2.79Å; L559-L565 HydrophobicContact CB-CD2 4.23Å; L559-L565 HydrophobicContact CD2-CD2 4.26Å; L559-L565 WeakPolarHBondContact O-CD2 3.25Å; L559-E569 HydrophobicContact CD2-CB 3.95Å; L559-E569 HydrophobicContact CD2-CG 3.8Å; L559-V573 HydrophobicContact CD1-CG2 3.85Å
560	W	83.1	Confident	84.8	Confident	6 Å²	6	58.3 Å²	58.3	2%	0.023	33%	0.334	C	S	.	.	H	α-helix	trans	-77.5	-15.5	-178.3	-61.9	98.2	0	0	0	113.1	P440 S442 A446 L496 C531 W556 L557 V573	P440-W560 WeakPolarHBondContact CB-O 3.49Å; P440-W560 VanDerWaalsContact CG-O 3.24Å; P440-W560 WeakPolarHBondContact CG-O 3.33Å; S442-W560 WeakPolarHBondContact CB-O 3.43Å; S442-W560 PolarHBondContact OG-O 2.74Å; A446-W560 HydrophobicContact CB-CH2 3.48Å; A446-W560 VanDerWaalsContact CB-CH2 3.48Å; A446-W560 HydrophobicContact CB-CZ3 3.43Å; A446-W560 VanDerWaalsContact CB-CZ3 3.43Å; L496-W560 HydrophobicContact CD1-CH2 3.81Å; L496-W560 HydrophobicContact CD1-CZ2 3.92Å; L496-W560 HydrophobicContact CD2-CH2 3.9Å; L496-W560 HydrophobicContact CD2-CZ3 4.44Å; L496-W560 HydrophobicContact CG-CH2 4.18Å; C531-W560 HydrophobicContact CB-CB 4.44Å; C531-W560 HydrophobicContact CB-CD2 3.68Å; C531-W560 HydrophobicContact CB-CE3 3.97Å; C531-W560 HydrophobicContact CB-CG 3.86Å; C531-W560 VanDerWaalsContact O-CB 3.23Å; C531-W560 WeakPolarHBondContact O-CB 3.07Å; W556-W560 AromaticContact CE2-NE1 3.33Å; W556-W560 VanDerWaalsContact CE2-NE1 3.33Å; W556-W560 HydrophobicContact CH2-CZ2 4.25Å; W556-W560 AromaticContact CZ2-CE2 3.96Å; W556-W560 AromaticContact CZ2-CZ2 3.77Å; W556-W560 HydrophobicContact CZ2-CZ2 3.77Å; W556-W560 AromaticContact CZ2-NE1 3.51Å; W556-W560 AromaticContact NE1-CD1 3.95Å; W556-W560 AromaticContact NE1-NE1 3.32Å; L557-W560 WeakPolarHBondContact O-CB 3.41Å; L557-W560 PolarHBondContact O-N 3.44Å; W560-V573 HydrophobicContact CH2-CG1 4.34Å; W560-V573 HydrophobicContact CZ2-CG1 4.08Å
561	D	79.5	Confident	84.4	Confident	132 Å²	132	63 Å²	63	71%	0.706	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.8	171	-69.7	-32.9	0	0	0	113.1	L559	L559-D561 VanDerWaalsContact C-N 3.3Å; L559-D561 PolarHBondContact O-N 3.04Å
562	K	79.2	Confident	84	Confident	84 Å²	84	65.5 Å²	65.5	37%	0.365	37%	0.374	S	S	.	.			trans	-78.9	128.2	-179.3	-64.4	179.7	-169.1	-167.8	0	112	S442 D558 L559 I564 L565 E569	S442-K562 VanDerWaalsContact CA-O 3.29Å; S442-K562 WeakPolarHBondContact CA-O 3.45Å; S442-K562 WeakPolarHBondContact CB-O 3.33Å; D558-K562 WeakPolarHBondContact O-CE 3.35Å; D558-K562 WeakPolarHBondContact O-CG 3.47Å; L559-K562 PolarHBondContact O-N 2.79Å; K562-I564 VanDerWaalsContact C-N 3.27Å; K562-I564 PolarHBondContact O-N 2.76Å; K562-L565 HydrophobicContact CB-CD2 4.22Å; K562-L565 HydrophobicContact CD-CD2 4.47Å; K562-E569 IonicContact NZ-OE1 2.78Å; K562-E569 PolarHBondContact NZ-OE1 2.88Å
563	A	66.9	Low	83.7	Confident	65 Å²	65	64.8 Å²	64.8	54%	0.537	37%	0.366	S	S	.	.	S	Bend	trans	-64.3	-30.3	177.9	0	0	0	0	0	113.7
564	I	70.5	Confident	83.4	Confident	129 Å²	129	61.9 Å²	61.9	66%	0.662	35%	0.353	S	S	*	.	S	Bend	trans	-140.5	134.2	178.5	-56.8	176.3	0	0	0	107.1	K562	K562-I564 VanDerWaalsContact C-N 3.27Å; K562-I564 PolarHBondContact O-N 2.76Å
565	L	75.3	Confident	83.3	Confident	19 Å²	19	61.3 Å²	61.3	10%	0.099	34%	0.344	C	S	.	.			trans	-93	143.7	173	-59.8	174.3	0	0	0	110.1	T445 L449 L559 K562 E569 V573	T445-L565 HydrophobicContact CG2-CB 3.95Å; T445-L565 HydrophobicContact CG2-CD1 4.25Å; T445-L565 HydrophobicContact CG2-CG 4.19Å; L449-L565 HydrophobicContact CD1-CD1 4.19Å; L559-L565 HydrophobicContact CB-CD2 4.23Å; L559-L565 HydrophobicContact CD2-CD2 4.26Å; L559-L565 WeakPolarHBondContact O-CD2 3.25Å; K562-L565 HydrophobicContact CB-CD2 4.22Å; K562-L565 HydrophobicContact CD-CD2 4.47Å; L565-E569 HydrophobicContact CB-CB 4.26Å; L565-E569 HydrophobicContact CD2-CB 4.35Å; L565-V573 HydrophobicContact CD1-CG2 4.44Å
566	S	83.1	Confident	83.3	Confident	53 Å²	53	58.4 Å²	58.4	37%	0.371	32%	0.32	S	S	.	.			trans	-70.5	163.6	164	63.6	0	0	0	0	111.5	S568 E569 G570	S566-S568 VanDerWaalsContact C-N 3.31Å; S566-S568 PolarHBondContact O-N 2.75Å; S566-S568 PolarHBondContact OG-OG 2.91Å; S566-E569 WeakPolarHBondContact CB-OE2 3.29Å; S566-E569 PolarHBondContact N-OE2 3.04Å; S566-E569 PolarHBondContact O-N 3.36Å; S566-E569 WeakPolarHBondContact OG-CG 3.35Å; S566-E569 PolarHBondContact OG-N 2.83Å; S566-E569 PolarHBondContact OG-OE2 2.93Å; S566-G570 PolarHBondContact O-N 3.09Å
567	E	80.5	Confident	83.2	Confident	181 Å²	181	57.7 Å²	57.7	85%	0.846	32%	0.317	S	S	*	.	H	α-helix	trans	-60.2	-38.6	-179.3	-172.7	176.9	178.5	0	0	112.7	K571	E567-K571 WeakPolarHBondContact O-CB 3.36Å; E567-K571 PolarHBondContact O-N 3.1Å
568	S	85.3	Confident	83.3	Confident	88 Å²	88	58.7 Å²	58.7	62%	0.615	32%	0.321	S	S	*	.	H	α-helix	trans	-68.1	-39	176.4	49.2	0	0	0	0	112.7	S566 A572	S566-S568 VanDerWaalsContact C-N 3.31Å; S566-S568 PolarHBondContact O-N 2.75Å; S566-S568 PolarHBondContact OG-OG 2.91Å; S568-A572 WeakPolarHBondContact O-CB 3.06Å; S568-A572 PolarHBondContact O-N 3.28Å
569	E	86.3	Confident	83.5	Confident	44 Å²	44	60.4 Å²	60.4	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-43.7	174.8	-71.5	167.5	138.4	0	0	111.6	L559 K562 L565 S566 K571 A572 V573	L559-E569 HydrophobicContact CD2-CB 3.95Å; L559-E569 HydrophobicContact CD2-CG 3.8Å; K562-E569 IonicContact NZ-OE1 2.78Å; K562-E569 PolarHBondContact NZ-OE1 2.88Å; L565-E569 HydrophobicContact CB-CB 4.26Å; L565-E569 HydrophobicContact CD2-CB 4.35Å; S566-E569 WeakPolarHBondContact CB-OE2 3.29Å; S566-E569 PolarHBondContact N-OE2 3.04Å; S566-E569 PolarHBondContact O-N 3.36Å; S566-E569 WeakPolarHBondContact OG-CG 3.35Å; S566-E569 PolarHBondContact OG-N 2.83Å; S566-E569 PolarHBondContact OG-OE2 2.93Å; E569-K571 VanDerWaalsContact C-N 3.31Å; E569-K571 PolarHBondContact O-N 2.68Å; E569-A572 PolarHBondContact O-N 3.18Å; E569-A572 VanDerWaalsContact O-N 3.13Å; E569-V573 WeakPolarHBondContact O-CG2 3.13Å; E569-V573 PolarHBondContact O-N 2.86Å
570	G	81.4	Confident	83.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-43	174.4	0	0	0	0	0	112.2	S566 V573 L574	S566-G570 PolarHBondContact O-N 3.09Å; G570-V573 PolarHBondContact O-N 3.4Å; G570-L574 WeakPolarHBondContact O-CG 3.47Å; G570-L574 PolarHBondContact O-N 3.15Å; G570-L574 VanDerWaalsContact O-N 3.12Å
571	K	84	Confident	84.2	Confident	129 Å²	129	59.6 Å²	59.6	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-62.6	-43.1	172.3	-175.1	179.9	175.5	-176.3	0	112.3	E567 E569 V573 L574 D575	E567-K571 WeakPolarHBondContact O-CB 3.36Å; E567-K571 PolarHBondContact O-N 3.1Å; E569-K571 VanDerWaalsContact C-N 3.31Å; E569-K571 PolarHBondContact O-N 2.68Å; K571-V573 VanDerWaalsContact C-N 3.32Å; K571-V573 PolarHBondContact O-N 3.25Å; K571-L574 PolarHBondContact O-N 3.29Å; K571-D575 WeakPolarHBondContact CE-OD2 3.39Å; K571-D575 WeakPolarHBondContact O-CB 3.41Å; K571-D575 PolarHBondContact O-N 2.86Å
572	A	87.1	Confident	84.8	Confident	53 Å²	53	57.3 Å²	57.3	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-38.2	178.5	0	0	0	0	0	112.8	S568 E569 G576	S568-A572 WeakPolarHBondContact O-CB 3.06Å; S568-A572 PolarHBondContact O-N 3.28Å; E569-A572 PolarHBondContact O-N 3.18Å; E569-A572 VanDerWaalsContact O-N 3.13Å; A572-G576 PolarHBondContact O-N 3.47Å
573	V	85.6	Confident	85.5	Confident	2 Å²	2	58 Å²	58	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-48.3	172.5	172.2	0	0	0	0	110.9	W556 L559 W560 L565 E569 G570 K571 G576 I577	W556-V573 HydrophobicContact CH2-CG1 4.02Å; W556-V573 HydrophobicContact CZ3-CB 4.47Å; W556-V573 HydrophobicContact CZ3-CG1 4.45Å; W556-V573 HydrophobicContact CZ3-CG2 4.38Å; L559-V573 HydrophobicContact CD1-CG2 3.85Å; W560-V573 HydrophobicContact CH2-CG1 4.34Å; W560-V573 HydrophobicContact CZ2-CG1 4.08Å; L565-V573 HydrophobicContact CD1-CG2 4.44Å; E569-V573 WeakPolarHBondContact O-CG2 3.13Å; E569-V573 PolarHBondContact O-N 2.86Å; G570-V573 PolarHBondContact O-N 3.4Å; K571-V573 VanDerWaalsContact C-N 3.32Å; K571-V573 PolarHBondContact O-N 3.25Å; V573-G576 PolarHBondContact O-N 3.36Å; V573-I577 HydrophobicContact CG1-CD1 3.96Å; V573-I577 WeakPolarHBondContact O-CG1 3.47Å; V573-I577 PolarHBondContact O-N 3.19Å; V573-I577 VanDerWaalsContact O-N 3.09Å
574	L	86.1	Confident	86.8	Confident	17 Å²	17	55 Å²	55	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-49.6	177.8	-69.7	172.1	0	0	0	112	L449 L450 G570 K571 G576 I577 H578	L449-L574 HydrophobicContact CB-CD1 4.14Å; L449-L574 HydrophobicContact CB-CD2 4.27Å; L449-L574 HydrophobicContact CB-CG 4.31Å; L449-L574 HydrophobicContact CD2-CD1 4.27Å; L450-L574 HydrophobicContact CD2-CD2 3.64Å; L450-L574 HydrophobicContact CG-CD2 4.05Å; G570-L574 WeakPolarHBondContact O-CG 3.47Å; G570-L574 PolarHBondContact O-N 3.15Å; G570-L574 VanDerWaalsContact O-N 3.12Å; K571-L574 PolarHBondContact O-N 3.29Å; L574-G576 PolarHBondContact O-N 3.28Å; L574-I577 PolarHBondContact O-N 2.85Å; L574-I577 VanDerWaalsContact O-N 3.14Å; L574-H578 WeakPolarHBondContact O-CB 3.29Å; L574-H578 PolarHBondContact O-CD2 3.36Å; L574-H578 VanDerWaalsContact O-CD2 3.23Å; L574-H578 PolarHBondContact O-N 3.23Å
575	D	89.4	Confident	87.7	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-35.5	179.4	-73.9	-14.7	0	0	0	111.5	K571 R579	K571-D575 WeakPolarHBondContact CE-OD2 3.39Å; K571-D575 WeakPolarHBondContact O-CB 3.41Å; K571-D575 PolarHBondContact O-N 2.86Å; D575-R579 WeakPolarHBondContact O-CB 3.5Å; D575-R579 PolarHBondContact O-N 2.83Å
576	G	91	Very high	88.5	Confident	4 Å²	4	56.3 Å²	56.3	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-45.7	173.6	0	0	0	0	0	113.3	A572 V573 L574 Y580	A572-G576 PolarHBondContact O-N 3.47Å; V573-G576 PolarHBondContact O-N 3.36Å; L574-G576 PolarHBondContact O-N 3.28Å; G576-Y580 PolarHBondContact O-N 2.88Å; G576-Y580 VanDerWaalsContact O-N 3.15Å
577	I	89.8	Confident	88.9	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-45.6	178.1	-66.8	168.5	0	0	0	111	L450 L496 V529 W556 V573 L574 R579 Y580 L581	L450-I577 HydrophobicContact CD1-CD1 4.46Å; L450-I577 HydrophobicContact CD2-CD1 4.11Å; L450-I577 HydrophobicContact CD2-CG2 4.5Å; L496-I577 HydrophobicContact CD1-CD1 4.43Å; V529-I577 HydrophobicContact CG1-CG1 4.42Å; W556-I577 HydrophobicContact CH2-CG1 4.28Å; V573-I577 HydrophobicContact CG1-CD1 3.96Å; V573-I577 WeakPolarHBondContact O-CG1 3.47Å; V573-I577 PolarHBondContact O-N 3.19Å; V573-I577 VanDerWaalsContact O-N 3.09Å; L574-I577 PolarHBondContact O-N 2.85Å; L574-I577 VanDerWaalsContact O-N 3.14Å; I577-R579 PolarHBondContact O-N 3.43Å; I577-Y580 PolarHBondContact O-N 3.43Å; I577-Y580 VanDerWaalsContact O-N 3.17Å; I577-L581 HydrophobicContact CG2-CD1 3.94Å; I577-L581 HydrophobicContact CG2-CG 4.43Å; I577-L581 WeakPolarHBondContact O-CG 3.46Å; I577-L581 PolarHBondContact O-N 3.12Å
578	H	89.9	Confident	89.3	Confident	53 Å²	53	47.2 Å²	47.2	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-52.2	174.3	-86.8	-72.9	0	0	0	111	Y455 L574 Y580 L581 D582	Y455-H578 AromaticContact CE2-CE1 3.48Å; Y455-H578 VanDerWaalsContact CE2-CE1 3.48Å; Y455-H578 WeakPolarHBondContact CE2-CE1 3.33Å; Y455-H578 AromaticContact CE2-NE2 3.67Å; Y455-H578 AromaticContact CZ-CE1 3.66Å; Y455-H578 AromaticContact CZ-ND1 3.99Å; Y455-H578 PolarHBondContact OH-CE1 3.14Å; Y455-H578 PolarHBondContact OH-ND1 3.29Å; L574-H578 WeakPolarHBondContact O-CB 3.29Å; L574-H578 PolarHBondContact O-CD2 3.36Å; L574-H578 VanDerWaalsContact O-CD2 3.23Å; L574-H578 PolarHBondContact O-N 3.23Å; H578-Y580 PolarHBondContact O-N 3.2Å; H578-Y580 VanDerWaalsContact O-N 3.17Å; H578-L581 PolarHBondContact O-N 2.79Å; H578-D582 VanDerWaalsContact O-CB 3.32Å; H578-D582 WeakPolarHBondContact O-CB 3.43Å; H578-D582 PolarHBondContact O-N 3.49Å
579	R	92.9	Very high	89.5	Confident	118 Å²	118	44.3 Å²	44.3	45%	0.445	22%	0.224	S	C	.	.	H	α-helix	trans	-55.3	-36.5	177.9	-173.4	-179.2	-63	127.1	7.8	112.5	L550 D575 I577 N583 F868	L550-R579 HydrophobicContact CD1-CG 4.48Å; L550-R579 VanDerWaalsContact CD2-NH1 3.29Å; D575-R579 WeakPolarHBondContact O-CB 3.5Å; D575-R579 PolarHBondContact O-N 2.83Å; I577-R579 PolarHBondContact O-N 3.43Å; R579-N583 VanDerWaalsContact O-CB 3.27Å; R579-N583 WeakPolarHBondContact O-CB 3.23Å; R579-N583 PolarHBondContact O-N 3.23Å; R579-F868 HydrophobicContact CG-CE1 4.48Å; R579-F868 WeakPolarHBondContact O-CE1 3.47Å
580	Y	93.9	Very high	89.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.5	-51.6	176.5	-176.7	-146.7	0	0	0	112.5	Y527 P528 V529 Y547 F551 G576 I577 H578 D582 A584 G866 F868	Y527-Y580 HydrophobicContact CD1-CD1 4.18Å; Y527-Y580 HydrophobicContact CD1-CD2 4.1Å; Y527-Y580 AromaticContact CD1-CE1 3.92Å; Y527-Y580 HydrophobicContact CD1-CE1 3.92Å; Y527-Y580 AromaticContact CD1-CE2 3.81Å; Y527-Y580 HydrophobicContact CD1-CE2 3.81Å; Y527-Y580 HydrophobicContact CD1-CG 4.26Å; Y527-Y580 AromaticContact CD1-CZ 3.71Å; Y527-Y580 HydrophobicContact CE1-CE2 4.42Å; Y527-Y580 HydrophobicContact CG-CE1 4.29Å; P528-Y580 WeakPolarHBondContact CD-OH 3.14Å; P528-Y580 WeakPolarHBondContact O-CE1 3.42Å; V529-Y580 HydrophobicContact CG2-CD1 3.67Å; V529-Y580 HydrophobicContact CG2-CE1 3.89Å; Y547-Y580 HydrophobicContact CD2-CE2 4.08Å; Y547-Y580 HydrophobicContact CE2-CE1 4.06Å; Y547-Y580 HydrophobicContact CE2-CE2 4.35Å; Y547-Y580 AromaticContact CE2-CZ 3.83Å; F551-Y580 AromaticContact CE2-CD1 3.65Å; F551-Y580 HydrophobicContact CE2-CD1 3.65Å; F551-Y580 HydrophobicContact CE2-CD2 4.42Å; F551-Y580 HydrophobicContact CE2-CE1 4.21Å; F551-Y580 AromaticContact CE2-CG 3.78Å; F551-Y580 HydrophobicContact CE2-CG 3.78Å; F551-Y580 AromaticContact CZ-CD1 3.94Å; F551-Y580 HydrophobicContact CZ-CD1 3.94Å; F551-Y580 HydrophobicContact CZ-CG 4.08Å; G576-Y580 PolarHBondContact O-N 2.88Å; G576-Y580 VanDerWaalsContact O-N 3.15Å; I577-Y580 PolarHBondContact O-N 3.43Å; I577-Y580 VanDerWaalsContact O-N 3.17Å; H578-Y580 PolarHBondContact O-N 3.2Å; H578-Y580 VanDerWaalsContact O-N 3.17Å; Y580-D582 VanDerWaalsContact C-N 3.29Å; Y580-D582 PolarHBondContact O-N 3.37Å; Y580-A584 HydrophobicContact CD2-CB 3.42Å; Y580-A584 VanDerWaalsContact CD2-CB 3.42Å; Y580-A584 HydrophobicContact CE2-CB 3.5Å; Y580-A584 VanDerWaalsContact O-CB 3.23Å; Y580-A584 WeakPolarHBondContact O-CB 3.38Å; Y580-A584 PolarHBondContact O-N 3.09Å; Y580-G866 VanDerWaalsContact CE2-O 3.3Å; Y580-G866 WeakPolarHBondContact CE2-O 3.45Å; Y580-G866 PolarHBondContact OH-O 2.9Å; Y580-F868 HydrophobicContact CD2-CD2 4.26Å; Y580-F868 HydrophobicContact CD2-CE1 4.45Å; Y580-F868 AromaticContact CD2-CE2 3.47Å; Y580-F868 HydrophobicContact CD2-CE2 3.47Å; Y580-F868 VanDerWaalsContact CD2-CE2 3.47Å; Y580-F868 AromaticContact CD2-CZ 3.6Å; Y580-F868 HydrophobicContact CD2-CZ 3.6Å; Y580-F868 HydrophobicContact CE2-CE2 4.1Å; Y580-F868 HydrophobicContact CG-CE2 4.29Å; Y580-F868 HydrophobicContact CG-CZ 4.16Å
581	L	91.1	Very high	90.2	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-36.1	179.7	-63.2	173.7	0	0	0	112.6	Y455 Q492 C494 Y527 I577 H578 K585	Y455-L581 HydrophobicContact CE1-CD1 3.87Å; Q492-L581 PolarHBondContact NE2-O 3Å; C494-L581 HydrophobicContact CB-CD1 4.43Å; C494-L581 HydrophobicContact CB-CD2 4.14Å; Y527-L581 HydrophobicContact CD1-CD2 3.92Å; Y527-L581 HydrophobicContact CD2-CD2 4.1Å; Y527-L581 HydrophobicContact CG-CD2 3.67Å; I577-L581 HydrophobicContact CG2-CD1 3.94Å; I577-L581 HydrophobicContact CG2-CG 4.43Å; I577-L581 WeakPolarHBondContact O-CG 3.46Å; I577-L581 PolarHBondContact O-N 3.12Å; H578-L581 PolarHBondContact O-N 2.79Å; L581-K585 PolarHBondContact O-NZ 2.88Å; L581-K585 VanDerWaalsContact O-NZ 3.09Å
582	D	92	Very high	90.7	Very high	85 Å²	85	37.2 Å²	37.2	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-80	-38.7	-178.2	-68.1	-30.7	0	0	0	112.7	H578 Y580 K585	H578-D582 VanDerWaalsContact O-CB 3.32Å; H578-D582 WeakPolarHBondContact O-CB 3.43Å; H578-D582 PolarHBondContact O-N 3.49Å; Y580-D582 VanDerWaalsContact C-N 3.29Å; Y580-D582 PolarHBondContact O-N 3.37Å; D582-K585 WeakPolarHBondContact O-CE 3.4Å; D582-K585 PolarHBondContact O-NZ 3.17Å
583	N	94.4	Very high	91	Very high	99 Å²	99	34.7 Å²	34.7	53%	0.529	17%	0.173	S	C	.	.	H	α-helix	trans	-106.1	-21.3	-172.4	-57.6	-30.8	0	0	0	115.3	R579 K585 F868	R579-N583 VanDerWaalsContact O-CB 3.27Å; R579-N583 WeakPolarHBondContact O-CB 3.23Å; R579-N583 PolarHBondContact O-N 3.23Å; N583-K585 VanDerWaalsContact C-N 3.31Å; N583-K585 PolarHBondContact O-N 3Å; N583-F868 HydrophobicContact CB-CD1 4.01Å; N583-F868 HydrophobicContact CB-CE1 3.95Å
584	A	93.1	Very high	91.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	-78.5	80.8	175.2	0	0	0	0	0	111.2	Y527 Y580 V867 F868	Y527-A584 HydrophobicContact CD1-CB 4.46Å; Y527-A584 HydrophobicContact CE1-CB 3.9Å; Y527-A584 VanDerWaalsContact CE1-O 3.26Å; Y527-A584 WeakPolarHBondContact CE1-O 3.5Å; Y527-A584 PolarHBondContact OH-O 3.2Å; Y580-A584 HydrophobicContact CD2-CB 3.42Å; Y580-A584 VanDerWaalsContact CD2-CB 3.42Å; Y580-A584 HydrophobicContact CE2-CB 3.5Å; Y580-A584 VanDerWaalsContact O-CB 3.23Å; Y580-A584 WeakPolarHBondContact O-CB 3.38Å; Y580-A584 PolarHBondContact O-N 3.09Å; A584-V867 CarbonylContact C-O 3.54Å; A584-V867 VanDerWaalsContact CA-O 3.24Å; A584-V867 WeakPolarHBondContact CA-O 3.41Å; A584-V867 WeakPolarHBondContact CB-O 3.24Å; A584-F868 HydrophobicContact CB-CD1 4.14Å; A584-F868 HydrophobicContact CB-CD2 4.29Å; A584-F868 HydrophobicContact CB-CE1 4.35Å; A584-F868 HydrophobicContact CB-CE2 4.47Å; A584-F868 HydrophobicContact CB-CG 4.12Å
585	K	90.3	Very high	91.9	Very high	116 Å²	116	34 Å²	34	50%	0.504	17%	0.169	S	C	.	.			trans	-93.2	-18.8	-178.5	-61.5	-45.8	-164.3	-149.1	0	114.1	L581 D582 N583	L581-K585 PolarHBondContact O-NZ 2.88Å; L581-K585 VanDerWaalsContact O-NZ 3.09Å; D582-K585 WeakPolarHBondContact O-CE 3.4Å; D582-K585 PolarHBondContact O-NZ 3.17Å; N583-K585 VanDerWaalsContact C-N 3.31Å; N583-K585 PolarHBondContact O-N 3Å
586	L	91.8	Very high	92.2	Very high	60 Å²	60	31.8 Å²	31.8	31%	0.314	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.5	173	-178.7	61.4	0	0	0	109.5	L762 G866 V867 L870	L586-L762 HydrophobicContact CD1-CD2 4.41Å; L586-G866 WeakPolarHBondContact O-CA 3.26Å; L586-V867 HydrophobicContact CB-CG2 4Å; L586-V867 HydrophobicContact CD2-CG2 3.97Å; L586-V867 HydrophobicContact CG-CG2 3.88Å; L586-V867 PolarHBondContact N-O 3.35Å; L586-V867 PolarHBondContact O-N 3.34Å; L586-L870 HydrophobicContact CD2-CD1 4.03Å; L586-L870 HydrophobicContact CD2-CG 3.82Å
587	V	90.3	Very high	92.4	Very high	38 Å²	38	31.6 Å²	31.6	23%	0.23	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.6	176.9	-178.8	0	0	0	0	108.6	R525 P589 P864 V865	R525-V587 HydrophobicContact CG-CG2 4.35Å; V587-P589 WeakPolarHBondContact O-CD 3.25Å; V587-P864 HydrophobicContact CG1-CB 3.66Å; V587-V865 CarbonylContact C-O 3.54Å; V587-V865 WeakPolarHBondContact CA-O 3.5Å
588	L	89.9	Confident	92.4	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.2	170.5	173.4	61.4	0	0	0	109	M543 M590 V865 V867 L870	M543-L588 HydrophobicContact CE-CD1 3.71Å; M543-L588 HydrophobicContact CE-CD2 3.67Å; M543-L588 HydrophobicContact CE-CG 4.36Å; M543-L588 HydrophobicContact SD-CD2 3.72Å; L588-M590 HydrophobicContact CD2-CG 3.88Å; L588-M590 HydrophobicContact CD2-SD 4.44Å; L588-M590 HydrophobicContact CG-CG 3.88Å; L588-M590 PolarHBondContact O-N 3.12Å; L588-V865 PolarHBondContact N-O 3.46Å; L588-V865 PolarHBondContact O-N 3.06Å; L588-V867 HydrophobicContact CB-CG1 4.06Å; L588-V867 HydrophobicContact CB-CG2 4.07Å; L588-V867 HydrophobicContact CD2-CG1 4.28Å; L588-L870 HydrophobicContact CD1-CD1 4.41Å; L588-L870 HydrophobicContact CD1-CD2 4.1Å; L588-L870 HydrophobicContact CD2-CD2 4.4Å
589	P	89.9	Confident	92.1	Very high	26 Å²	26	32.1 Å²	32.1	17%	0.169	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	84.7	176.2	32.4	-35.4	0	0	0	110.2	V587 V591 L761 F862	V587-P589 WeakPolarHBondContact O-CD 3.25Å; P589-V591 PolarHBondContact O-N 2.95Å; P589-V591 VanDerWaalsContact O-N 3.15Å; P589-L761 HydrophobicContact CG-CB 4.21Å; P589-F862 HydrophobicContact CB-CB 4.08Å; P589-F862 HydrophobicContact CB-CD1 3.73Å; P589-F862 HydrophobicContact CB-CE1 4.35Å; P589-F862 HydrophobicContact CB-CG 4Å
590	M	90.5	Very high	91.1	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.03	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	113	179.2	-68	-179.2	67.3	0	0	110.2	W536 Y539 L540 L588 I592 V616 V617 F862 F863 V865	W536-M590 HydrophobicContact CE3-CE 4.36Å; W536-M590 HydrophobicContact CH2-CE 4.31Å; W536-M590 HydrophobicContact CZ3-CE 3.86Å; W536-M590 HydrophobicContact CZ3-SD 4Å; Y539-M590 HydrophobicContact CD1-CE 3.82Å; Y539-M590 HydrophobicContact CE1-CE 3.57Å; Y539-M590 HydrophobicContact CE1-SD 4.44Å; L540-M590 HydrophobicContact CD2-SD 4.26Å; L588-M590 HydrophobicContact CD2-CG 3.88Å; L588-M590 HydrophobicContact CD2-SD 4.44Å; L588-M590 HydrophobicContact CG-CG 3.88Å; L588-M590 PolarHBondContact O-N 3.12Å; M590-I592 PolarHBondContact O-N 3.04Å; M590-V616 HydrophobicContact CB-CB 4.31Å; M590-V616 HydrophobicContact CB-CG1 4.31Å; M590-V616 HydrophobicContact CE-CB 3.86Å; M590-V616 HydrophobicContact CE-CG2 3.41Å; M590-V616 VanDerWaalsContact CE-CG2 3.41Å; M590-V617 HydrophobicContact CE-CG2 4.16Å; M590-F862 CarbonylContact O-C 3.55Å; M590-F862 WeakPolarHBondContact O-CA 3.31Å; M590-F863 HydrophobicContact CB-CB 4.32Å; M590-F863 PolarHBondContact N-O 3.15Å; M590-F863 VanDerWaalsContact N-O 3.11Å; M590-F863 PolarHBondContact O-N 2.85Å; M590-V865 HydrophobicContact CG-CG2 4.32Å; M590-V865 HydrophobicContact SD-CB 4.1Å; M590-V865 HydrophobicContact SD-CG2 3.59Å; M590-V865 VanDerWaalsContact SD-CG2 3.59Å
591	V	91.2	Very high	89.7	Confident	19 Å²	19	30.1 Å²	30.1	12%	0.115	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127	-175.9	-170.8	0	0	0	0	111.1	P589 K753 S771 L855 F862	P589-V591 PolarHBondContact O-N 2.95Å; P589-V591 VanDerWaalsContact O-N 3.15Å; V591-K753 WeakPolarHBondContact O-CE 3.21Å; V591-K753 PolarHBondContact O-NZ 3.42Å; V591-S771 WeakPolarHBondContact CG1-OG 3.43Å; V591-L855 HydrophobicContact CG1-CD2 3.46Å; V591-L855 VanDerWaalsContact CG1-CD2 3.46Å; V591-F862 HydrophobicContact CB-CD1 4.49Å; V591-F862 HydrophobicContact CG2-CD1 4.01Å; V591-F862 HydrophobicContact CG2-CE1 3.87Å
592	I	94.1	Very high	88.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-84.9	121.2	177.9	-47.8	179.7	0	0	0	109.3	L506 Y509 T510 M590 P614 V616 L855 W856 V860 K861 F863	L506-I592 HydrophobicContact CD1-CD1 3.85Å; L506-I592 HydrophobicContact CD1-CG1 4.18Å; L506-I592 HydrophobicContact CD1-CG2 4.37Å; Y509-I592 HydrophobicContact CD1-CD1 4.43Å; Y509-I592 HydrophobicContact CE1-CD1 4.35Å; T510-I592 HydrophobicContact CG2-CD1 3.56Å; T510-I592 HydrophobicContact CG2-CG2 4.12Å; M590-I592 PolarHBondContact O-N 3.04Å; I592-P614 HydrophobicContact CG2-CB 3.7Å; I592-V616 HydrophobicContact CB-CG1 4.34Å; I592-V616 HydrophobicContact CG1-CG1 3.93Å; I592-L855 CarbonylContact O-C 3.4Å; I592-L855 WeakPolarHBondContact O-CA 3.5Å; I592-W856 HydrophobicContact CB-CB 4.02Å; I592-W856 HydrophobicContact CG2-CB 3.82Å; I592-W856 HydrophobicContact CG2-CD2 4.47Å; I592-W856 HydrophobicContact CG2-CG 4.14Å; I592-W856 PolarHBondContact O-N 2.86Å; I592-V860 HydrophobicContact CD1-CG1 4.07Å; I592-K861 PolarHBondContact N-O 2.8Å; I592-F863 HydrophobicContact CD1-CB 4.12Å; I592-F863 HydrophobicContact CG1-CB 4.1Å
593	S	93.6	Very high	86.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	169.3	167.9	-75	0	0	0	0	110.9	P614 F615 K753 S853 A854	S593-P614 WeakPolarHBondContact O-CA 3.27Å; S593-F615 PolarHBondContact N-O 2.74Å; S593-F615 PolarHBondContact O-N 3.26Å; S593-K753 WeakPolarHBondContact OG-CE 3.4Å; S593-K753 PolarHBondContact OG-NZ 3.49Å; S593-S853 WeakPolarHBondContact CB-O 3.24Å; S593-A854 VanDerWaalsContact OG-C 3.23Å; S593-A854 PolarHBondContact OG-O 2.76Å
594	E	94.7	Very high	84.8	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.023	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.1	179.7	176.2	178.7	83.8	0	0	110.8	F612 I852 S853 W856 Q857	E594-F612 HydrophobicContact CG-CD1 4.01Å; E594-F612 WeakPolarHBondContact OE2-CD1 3.42Å; E594-I852 CarbonylContact O-C 3.57Å; E594-I852 VanDerWaalsContact O-CA 3.29Å; E594-I852 WeakPolarHBondContact O-CA 3.45Å; E594-I852 WeakPolarHBondContact O-CG2 3.44Å; E594-S853 PolarHBondContact N-O 2.66Å; E594-S853 VanDerWaalsContact N-O 3.09Å; E594-S853 PolarHBondContact O-N 3.29Å; E594-S853 PolarHBondContact OE1-OG 3.11Å; E594-W856 HydrophobicContact CB-CE3 3.72Å; E594-W856 HydrophobicContact CB-CZ3 4.04Å; E594-W856 HydrophobicContact CG-CE3 4.04Å; E594-W856 HydrophobicContact CG-CZ3 3.87Å; E594-Q857 VanDerWaalsContact CD-NE2 3.26Å; E594-Q857 PolarHBondContact OE1-NE2 3.01Å; E594-Q857 VanDerWaalsContact OE2-CD 3.28Å; E594-Q857 VanDerWaalsContact OE2-CG 3.3Å; E594-Q857 WeakPolarHBondContact OE2-CG 3.42Å; E594-Q857 PolarHBondContact OE2-NE2 3.44Å
595	V	96.1	Very high	83.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.2	158.1	-168.3	0	0	0	0	108.9	I597 F612 V613 F615 V619 I839 F850 Q851 I852	V595-I597 HydrophobicContact CG1-CG2 3.68Å; V595-F612 CarbonylContact O-C 3.55Å; V595-F612 WeakPolarHBondContact O-CA 3.27Å; V595-V613 PolarHBondContact N-O 2.69Å; V595-V613 PolarHBondContact O-N 2.79Å; V595-F615 HydrophobicContact CG2-CD1 3.47Å; V595-F615 VanDerWaalsContact CG2-CD1 3.47Å; V595-F615 HydrophobicContact CG2-CE1 3.57Å; V595-F615 HydrophobicContact CG2-CG 4.3Å; V595-F615 HydrophobicContact CG2-CZ 4.48Å; V595-V619 HydrophobicContact CG2-CG2 3.44Å; V595-V619 VanDerWaalsContact CG2-CG2 3.44Å; V595-I839 HydrophobicContact CB-CD1 3.87Å; V595-I839 HydrophobicContact CG1-CD1 3.91Å; V595-I839 HydrophobicContact CG2-CD1 3.89Å; V595-I839 HydrophobicContact CG2-CG1 4.33Å; V595-I839 HydrophobicContact CG2-CG2 4.19Å; V595-F850 HydrophobicContact CG1-CB 4.14Å; V595-F850 HydrophobicContact CG1-CD2 4.27Å; V595-Q851 CarbonylContact C-O 3.52Å; V595-Q851 WeakPolarHBondContact CA-O 3.47Å; V595-I852 HydrophobicContact CG1-CG1 4.28Å; V595-I852 HydrophobicContact CG2-CG1 4.24Å
596	M	95.6	Very high	81.5	Confident	22 Å²	22	43.8 Å²	43.8	11%	0.108	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.9	162.8	-177.1	-115.6	-70.5	0	0	108.5	Q610 Q611 F612 F849 F850 Q851	M596-Q610 HydrophobicContact CG-CG 3.74Å; M596-Q610 HydrophobicContact SD-CG 4.05Å; M596-Q611 CarbonylContact C-O 3.55Å; M596-Q611 WeakPolarHBondContact CA-O 3.37Å; M596-F612 HydrophobicContact CB-CD1 3.82Å; M596-F612 HydrophobicContact CB-CE1 3.87Å; M596-F612 HydrophobicContact CG-CD1 3.96Å; M596-F612 HydrophobicContact CG-CE1 3.72Å; M596-F612 HydrophobicContact CG-CZ 4.21Å; M596-F849 HydrophobicContact CE-CE1 4.49Å; M596-F849 HydrophobicContact CE-CZ 3.92Å; M596-F849 HydrophobicContact SD-CE1 3.71Å; M596-F849 HydrophobicContact SD-CZ 3.59Å; M596-F849 VanDerWaalsContact SD-CZ 3.59Å; M596-F850 CarbonylContact O-C 3.53Å; M596-F850 WeakPolarHBondContact O-CA 3.13Å; M596-F850 WeakPolarHBondContact O-CB 3.34Å; M596-Q851 HydrophobicContact CB-CB 4.4Å; M596-Q851 HydrophobicContact CE-CB 4.24Å; M596-Q851 PolarHBondContact N-O 2.71Å; M596-Q851 PolarHBondContact O-N 3.3Å
597	I	94.3	Very high	80.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.1	176.3	59.6	179.5	0	0	0	110.4	V595 L599 Q610 Q611 V613 L837 I839 W844 V847 F850	V595-I597 HydrophobicContact CG1-CG2 3.68Å; I597-L599 HydrophobicContact CD1-CD1 3.9Å; I597-L599 HydrophobicContact CD1-CD2 4.25Å; I597-L599 HydrophobicContact CD1-CG 4.04Å; I597-L599 HydrophobicContact CG1-CD1 4.42Å; I597-L599 HydrophobicContact CG1-CG 4.29Å; I597-Q610 WeakPolarHBondContact O-CA 3.37Å; I597-Q611 HydrophobicContact CD1-CB 4.24Å; I597-Q611 HydrophobicContact CG1-CB 3.87Å; I597-Q611 WeakPolarHBondContact CG1-O 3.46Å; I597-Q611 PolarHBondContact N-O 3.04Å; I597-Q611 PolarHBondContact O-N 3.09Å; I597-V613 HydrophobicContact CD1-CG2 4.16Å; I597-V613 HydrophobicContact CG1-CG2 4.49Å; I597-L837 HydrophobicContact CG2-CD1 3.98Å; I597-I839 HydrophobicContact CG2-CD1 4.24Å; I597-W844 HydrophobicContact CD1-CD2 3.68Å; I597-W844 HydrophobicContact CD1-CE3 3.31Å; I597-W844 HydrophobicContact CD1-CG 4.27Å; I597-W844 HydrophobicContact CD1-CH2 4.19Å; I597-W844 HydrophobicContact CD1-CZ3 3.62Å; I597-V847 HydrophobicContact CB-CG1 4.31Å; I597-V847 HydrophobicContact CB-CG2 4.46Å; I597-V847 HydrophobicContact CG2-CG1 4.41Å; I597-V847 HydrophobicContact CG2-CG2 4.49Å; I597-F850 HydrophobicContact CG2-CB 4.07Å
598	H	90.4	Very high	79.1	Confident	40 Å²	40	49.1 Å²	49.1	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.2	165.2	-83	-159.2	0	0	0	109.5	Q610 K848 F849	H598-Q610 PolarHBondContact NE2-OE1 2.9Å; H598-K848 PolarHBondContact O-N 3.02Å; H598-F849 HydrophobicContact CB-CD1 3.69Å; H598-F849 HydrophobicContact CB-CE1 4.21Å; H598-F849 AromaticContact CD2-CE1 3.64Å; H598-F849 AromaticContact CE1-CE1 3.72Å; H598-F849 AromaticContact CG-CD1 3.46Å; H598-F849 VanDerWaalsContact CG-CD1 3.46Å; H598-F849 AromaticContact CG-CE1 3.54Å; H598-F849 PolarHBondContact N-O 3.08Å; H598-F849 AromaticContact ND1-CD1 3.53Å; H598-F849 AromaticContact ND1-CE1 3.59Å; H598-F849 AromaticContact NE2-CE1 3.75Å
599	L	84.6	Confident	78.7	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.4	175.7	-62.3	164.5	0	0	0	108.8	I597 L608 T609 W844 K845 V847	I597-L599 HydrophobicContact CD1-CD1 3.9Å; I597-L599 HydrophobicContact CD1-CD2 4.25Å; I597-L599 HydrophobicContact CD1-CG 4.04Å; I597-L599 HydrophobicContact CG1-CD1 4.42Å; I597-L599 HydrophobicContact CG1-CG 4.29Å; L599-L608 CarbonylContact O-C 3.59Å; L599-L608 WeakPolarHBondContact O-CA 3.44Å; L599-T609 PolarHBondContact N-O 3Å; L599-T609 PolarHBondContact O-N 2.87Å; L599-W844 HydrophobicContact CD1-CE3 4.42Å; L599-W844 HydrophobicContact CD1-CZ3 4.44Å; L599-K845 WeakPolarHBondContact CD2-O 3.45Å; L599-V847 HydrophobicContact CD2-CG2 3.7Å
600	K	71.9	Confident	78.7	Confident	44 Å²	44	55.6 Å²	55.6	19%	0.191	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.7	166	-175.8	170.6	-179.3	173.2	0	109.1	E602 N605 L608	K600-E602 PolarHBondContact O-N 2.76Å; K600-N605 VanDerWaalsContact CE-O 3.23Å; K600-N605 WeakPolarHBondContact CE-O 3.45Å; K600-N605 PolarHBondContact NZ-O 3.41Å; K600-L608 HydrophobicContact CB-CD2 3.96Å; K600-L608 HydrophobicContact CG-CD2 4.38Å
601	S	64.1	Low	78.7	Confident	32 Å²	32	58.8 Å²	58.8	22%	0.224	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-55.3	131.7	169.4	179.6	0	0	0	0	110.4	N603 S604 E607	S601-N603 VanDerWaalsContact C-N 3.26Å; S601-N603 PolarHBondContact OG-N 2.9Å; S601-S604 WeakPolarHBondContact CB-OG 3.44Å; S601-S604 PolarHBondContact OG-N 2.84Å; S601-S604 VanDerWaalsContact OG-N 3.14Å; S601-S604 PolarHBondContact OG-OG 2.85Å; S601-S604 VanDerWaalsContact OG-OG 3.07Å; S601-E607 WeakPolarHBondContact CB-O 3.25Å; S601-E607 PolarHBondContact N-O 2.91Å
602	E	62.4	Low	78.9	Confident	150 Å²	150	62.1 Å²	62.1	70%	0.701	32%	0.317	S	S	*	.	S	Bend	trans	-74.7	-20.9	172.1	-62.3	-166.2	149.8	0	0	111.6	K600 N846	K600-E602 PolarHBondContact O-N 2.76Å; E602-N846 PolarHBondContact OE1-ND2 3.21Å
603	N	57.2	Low	79	Confident	126 Å²	126	62.2 Å²	62.2	67%	0.674	32%	0.317	S	S	*	.	S	Bend	trans	-105.9	-8	-171.5	-64.7	76.3	0	0	0	114.8	S601	S601-N603 VanDerWaalsContact C-N 3.26Å; S601-N603 PolarHBondContact OG-N 2.9Å
604	S	54.7	Low	79.1	Confident	31 Å²	31	62.4 Å²	62.4	22%	0.217	32%	0.318	C	S	.	.	S	Bend	trans	-133	129.3	174.7	57	0	0	0	0	111.1	S601 N606 E607	S601-S604 WeakPolarHBondContact CB-OG 3.44Å; S601-S604 PolarHBondContact OG-N 2.84Å; S601-S604 VanDerWaalsContact OG-N 3.14Å; S601-S604 PolarHBondContact OG-OG 2.85Å; S601-S604 VanDerWaalsContact OG-OG 3.07Å; S604-N606 PolarHBondContact O-N 2.82Å; S604-E607 WeakPolarHBondContact CB-OE2 3.33Å; S604-E607 WeakPolarHBondContact OG-CB 3.34Å; S604-E607 PolarHBondContact OG-OE2 2.81Å
605	N	56.9	Low	79.2	Confident	143 Å²	143	62.1 Å²	62.1	77%	0.765	32%	0.317	S	S	*	.	S	Bend	trans	-68.8	-15.1	-158	-130.3	-18	0	0	0	114.3	K600	K600-N605 VanDerWaalsContact CE-O 3.23Å; K600-N605 WeakPolarHBondContact CE-O 3.45Å; K600-N605 PolarHBondContact NZ-O 3.41Å
606	N	57.2	Low	79.1	Confident	146 Å²	146	62.2 Å²	62.2	78%	0.781	32%	0.318	S	S	*	.	S	Bend	trans	-142.2	0.5	-178.7	-83.4	-36.3	0	0	0	116.8	S604 L608	S604-N606 PolarHBondContact O-N 2.82Å; N606-L608 PolarHBondContact O-N 2.75Å
607	E	64.5	Low	78.9	Confident	137 Å²	137	61.6 Å²	61.6	64%	0.64	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-83.5	121.1	179	-60.6	176	139.8	0	0	111.1	S601 S604	S601-E607 WeakPolarHBondContact CB-O 3.25Å; S601-E607 PolarHBondContact N-O 2.91Å; S604-E607 WeakPolarHBondContact CB-OE2 3.33Å; S604-E607 WeakPolarHBondContact OG-CB 3.34Å; S604-E607 PolarHBondContact OG-OE2 2.81Å
608	L	67.6	Low	78.8	Confident	73 Å²	73	61.8 Å²	61.8	38%	0.382	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.5	170.2	-65.1	175.7	0	0	0	108.6	L599 K600 N606 K848	L599-L608 CarbonylContact O-C 3.59Å; L599-L608 WeakPolarHBondContact O-CA 3.44Å; K600-L608 HydrophobicContact CB-CD2 3.96Å; K600-L608 HydrophobicContact CG-CD2 4.38Å; N606-L608 PolarHBondContact O-N 2.75Å; L608-K848 HydrophobicContact CD1-CD 4.45Å; L608-K848 HydrophobicContact CD2-CD 4.31Å
609	T	81.6	Confident	79.1	Confident	74 Å²	74	60 Å²	60	45%	0.454	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.6	171.2	53	0	0	0	0	109.1	L599	L599-T609 PolarHBondContact N-O 3Å; L599-T609 PolarHBondContact O-N 2.87Å
610	Q	89.3	Confident	79.5	Confident	94 Å²	94	62.8 Å²	62.8	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.1	171.7	179.3	168.2	-33.9	0	0	110	M596 I597 H598 F612	M596-Q610 HydrophobicContact CG-CG 3.74Å; M596-Q610 HydrophobicContact SD-CG 4.05Å; I597-Q610 WeakPolarHBondContact O-CA 3.37Å; H598-Q610 PolarHBondContact NE2-OE1 2.9Å; Q610-F612 HydrophobicContact CG-CE2 4.31Å
611	Q	91.3	Very high	80.4	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.9	175.6	-174.1	164.4	10.5	0	0	110.8	M596 I597 V613 W844	M596-Q611 CarbonylContact C-O 3.55Å; M596-Q611 WeakPolarHBondContact CA-O 3.37Å; I597-Q611 HydrophobicContact CD1-CB 4.24Å; I597-Q611 HydrophobicContact CG1-CB 3.87Å; I597-Q611 WeakPolarHBondContact CG1-O 3.46Å; I597-Q611 PolarHBondContact N-O 3.04Å; I597-Q611 PolarHBondContact O-N 3.09Å; Q611-V613 HydrophobicContact CG-CG2 4.18Å; Q611-W844 HydrophobicContact CG-CH2 4.45Å
612	F	94.5	Very high	81.2	Confident	89 Å²	89	60.8 Å²	60.8	39%	0.39	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.9	173.4	-62.7	-88.9	0	0	0	109.1	E594 V595 M596 Q610 W856	E594-F612 HydrophobicContact CG-CD1 4.01Å; E594-F612 WeakPolarHBondContact OE2-CD1 3.42Å; V595-F612 CarbonylContact O-C 3.55Å; V595-F612 WeakPolarHBondContact O-CA 3.27Å; M596-F612 HydrophobicContact CB-CD1 3.82Å; M596-F612 HydrophobicContact CB-CE1 3.87Å; M596-F612 HydrophobicContact CG-CD1 3.96Å; M596-F612 HydrophobicContact CG-CE1 3.72Å; M596-F612 HydrophobicContact CG-CZ 4.21Å; Q610-F612 HydrophobicContact CG-CE2 4.31Å; F612-W856 HydrophobicContact CB-CH2 4.25Å; F612-W856 HydrophobicContact CB-CZ3 4.48Å
613	V	96.1	Very high	81.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.7	-173.2	-173	0	0	0	0	108.7	V595 I597 Q611 I839 W844	V595-V613 PolarHBondContact N-O 2.69Å; V595-V613 PolarHBondContact O-N 2.79Å; I597-V613 HydrophobicContact CD1-CG2 4.16Å; I597-V613 HydrophobicContact CG1-CG2 4.49Å; Q611-V613 HydrophobicContact CG-CG2 4.18Å; V613-I839 HydrophobicContact CB-CD1 4.25Å; V613-I839 HydrophobicContact CG1-CD1 4.24Å; V613-I839 HydrophobicContact CG1-CG2 3.98Å; V613-I839 HydrophobicContact CG2-CD1 4.45Å; V613-W844 HydrophobicContact CB-CZ2 4.26Å; V613-W844 HydrophobicContact CG1-CZ2 3.78Å; V613-W844 HydrophobicContact CG2-CH2 3.75Å; V613-W844 HydrophobicContact CG2-CZ2 3.4Å
614	P	96.9	Very high	81.5	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.1	172.7	31	-33.6	0	0	0	109.9	L506 R507 T510 I592 S593 W856	L506-P614 HydrophobicContact CD2-CB 4.22Å; L506-P614 HydrophobicContact CG-CB 4.1Å; L506-P614 HydrophobicContact CG-CG 4.14Å; R507-P614 HydrophobicContact CB-CG 4.4Å; R507-P614 HydrophobicContact CG-CG 3.78Å; T510-P614 HydrophobicContact CG2-CB 4.09Å; T510-P614 HydrophobicContact CG2-CG 4.43Å; I592-P614 HydrophobicContact CG2-CB 3.7Å; S593-P614 WeakPolarHBondContact O-CA 3.27Å; P614-W856 HydrophobicContact CB-CD2 4.17Å; P614-W856 HydrophobicContact CB-CE3 3.71Å; P614-W856 HydrophobicContact CB-CH2 4.1Å; P614-W856 HydrophobicContact CB-CZ2 4.49Å; P614-W856 HydrophobicContact CB-CZ3 3.68Å; P614-W856 HydrophobicContact CG-CH2 4.21Å; P614-W856 HydrophobicContact CG-CZ3 4.22Å
615	F	96.1	Very high	81.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.8	174.7	81.1	-78.7	0	0	0	110.5	S593 V595 V619 L773 I839 D840 I852	S593-F615 PolarHBondContact N-O 2.74Å; S593-F615 PolarHBondContact O-N 3.26Å; V595-F615 HydrophobicContact CG2-CD1 3.47Å; V595-F615 VanDerWaalsContact CG2-CD1 3.47Å; V595-F615 HydrophobicContact CG2-CE1 3.57Å; V595-F615 HydrophobicContact CG2-CG 4.3Å; V595-F615 HydrophobicContact CG2-CZ 4.48Å; F615-V619 HydrophobicContact CD1-CG2 4.21Å; F615-V619 HydrophobicContact CD2-CG2 3.92Å; F615-V619 HydrophobicContact CE1-CG2 4.04Å; F615-V619 HydrophobicContact CE2-CG2 3.78Å; F615-V619 HydrophobicContact CG-CG2 4.13Å; F615-V619 HydrophobicContact CZ-CG2 3.83Å; F615-L773 HydrophobicContact CZ-CD2 4.34Å; F615-I839 HydrophobicContact CB-CG2 3.58Å; F615-I839 HydrophobicContact CG-CG2 4.21Å; F615-D840 VanDerWaalsContact CA-OD2 3.27Å; F615-D840 WeakPolarHBondContact CA-OD2 3.25Å; F615-D840 WeakPolarHBondContact CB-OD2 3.47Å; F615-I852 HydrophobicContact CE1-CG2 3.65Å; F615-I852 HydrophobicContact CZ-CG2 3.63Å
616	V	93.7	Very high	80.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	31%	0.307	C	S	.	.	S	Bend	trans	-128.5	-20.4	-177.5	-67	0	0	0	0	113.6	L506 W536 M590 I592 K753 D840 F863	L506-V616 HydrophobicContact CD1-CG1 4.2Å; L506-V616 HydrophobicContact CD2-CG1 4.03Å; L506-V616 HydrophobicContact CD2-CG2 4.31Å; W536-V616 HydrophobicContact CH2-CG2 3.33Å; W536-V616 HydrophobicContact CZ2-CG2 3.45Å; W536-V616 VanDerWaalsContact CZ2-CG2 3.45Å; W536-V616 HydrophobicContact CZ3-CG2 4.07Å; M590-V616 HydrophobicContact CB-CB 4.31Å; M590-V616 HydrophobicContact CB-CG1 4.31Å; M590-V616 HydrophobicContact CE-CB 3.86Å; M590-V616 HydrophobicContact CE-CG2 3.41Å; M590-V616 VanDerWaalsContact CE-CG2 3.41Å; I592-V616 HydrophobicContact CB-CG1 4.34Å; I592-V616 HydrophobicContact CG1-CG1 3.93Å; V616-K753 WeakPolarHBondContact O-CG 3.32Å; V616-D840 PolarHBondContact N-OD2 3.37Å; V616-F863 HydrophobicContact CG1-CB 4.24Å
617	V	92	Very high	78.8	Confident	8 Å²	8	57 Å²	57	5%	0.048	30%	0.304	C	S	.	.	S	Bend	trans	-105	-68.1	-177.1	-170.5	0	0	0	0	113	I535 Y539 M590 D840	I535-V617 HydrophobicContact CG1-CG1 3.84Å; Y539-V617 HydrophobicContact CD1-CG2 4.17Å; Y539-V617 HydrophobicContact CD2-CG1 3.56Å; Y539-V617 HydrophobicContact CD2-CG2 4.45Å; Y539-V617 HydrophobicContact CE2-CG1 4.26Å; Y539-V617 HydrophobicContact CG-CG1 3.79Å; Y539-V617 HydrophobicContact CG-CG2 4Å; M590-V617 HydrophobicContact CE-CG2 4.16Å; V617-D840 VanDerWaalsContact CA-OD1 3.32Å; V617-D840 WeakPolarHBondContact CA-OD1 3.41Å; V617-D840 WeakPolarHBondContact CB-OD1 3.38Å; V617-D840 PolarHBondContact N-OD1 3.43Å; V617-D840 PolarHBondContact N-OD2 3.3Å
618	S	92.9	Very high	77.4	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	156.3	-172.6	68.1	0	0	0	0	115.4	K620 V751 D840	S618-K620 WeakPolarHBondContact OG-CE 3.26Å; S618-V751 CarbonylContact C-O 3.56Å; S618-V751 VanDerWaalsContact CA-O 3.27Å; S618-V751 WeakPolarHBondContact CA-O 3.32Å; S618-V751 WeakPolarHBondContact CB-O 3.33Å; S618-D840 PolarHBondContact N-OD1 3.34Å; S618-D840 PolarHBondContact O-N 3.4Å
619	V	95.5	Very high	75.8	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.3	172.3	-178	0	0	0	0	108.7	V595 F615 S750 V751 R838 I839 F850 I852	V595-V619 HydrophobicContact CG2-CG2 3.44Å; V595-V619 VanDerWaalsContact CG2-CG2 3.44Å; F615-V619 HydrophobicContact CD1-CG2 4.21Å; F615-V619 HydrophobicContact CD2-CG2 3.92Å; F615-V619 HydrophobicContact CE1-CG2 4.04Å; F615-V619 HydrophobicContact CE2-CG2 3.78Å; F615-V619 HydrophobicContact CG-CG2 4.13Å; F615-V619 HydrophobicContact CZ-CG2 3.83Å; V619-S750 CarbonylContact O-C 3.47Å; V619-S750 WeakPolarHBondContact O-CA 3.48Å; V619-V751 HydrophobicContact CB-CB 4.41Å; V619-V751 PolarHBondContact N-O 3.14Å; V619-V751 PolarHBondContact O-N 3.01Å; V619-R838 CarbonylContact C-O 3.56Å; V619-R838 WeakPolarHBondContact CA-O 3.39Å; V619-I839 HydrophobicContact CG1-CG1 4.16Å; V619-I839 HydrophobicContact CG2-CG1 4.37Å; V619-I839 HydrophobicContact CG2-CG2 4.38Å; V619-F850 HydrophobicContact CG1-CE2 4.27Å; V619-I852 HydrophobicContact CB-CD1 3.83Å; V619-I852 HydrophobicContact CG1-CD1 4.01Å; V619-I852 HydrophobicContact CG2-CD1 3.82Å
620	K	93.7	Very high	73.5	Confident	84 Å²	84	62.7 Å²	62.7	37%	0.365	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.9	-176.8	-51.3	-166.3	179.8	-178	0	111	S618 A622 L837 R838	S618-K620 WeakPolarHBondContact OG-CE 3.26Å; K620-A622 PolarHBondContact O-N 2.85Å; K620-L837 CarbonylContact O-C 3.55Å; K620-L837 WeakPolarHBondContact O-CA 3.24Å; K620-R838 PolarHBondContact N-O 3.11Å; K620-R838 PolarHBondContact O-N 3.14Å
621	L	91	Very high	70.6	Confident	30 Å²	30	64.7 Å²	64.7	16%	0.157	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	128.7	162.3	-67.6	178.1	0	0	0	108.8	L695 L749 I835 L837	L621-L695 HydrophobicContact CD1-CD1 3.61Å; L621-L695 HydrophobicContact CD2-CD1 4.3Å; L621-L749 HydrophobicContact CD1-CB 3.62Å; L621-L749 HydrophobicContact CD1-CD2 4.14Å; L621-L749 HydrophobicContact CD1-CG 4.5Å; L621-L749 HydrophobicContact CG-CB 3.91Å; L621-L749 HydrophobicContact CG-CD2 4.19Å; L621-L749 PolarHBondContact N-O 3.02Å; L621-I835 HydrophobicContact CD2-CB 4.41Å; L621-I835 HydrophobicContact CD2-CD1 3.91Å; L621-L837 HydrophobicContact CD2-CD2 3.8Å
622	A	80.2	Confident	68	Low	4 Å²	4	67.2 Å²	67.2	3%	0.033	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	149.4	170.1	0	0	0	0	0	110.4	K620 K693 N836 R838	K620-A622 PolarHBondContact O-N 2.85Å; A622-K693 PolarHBondContact O-NZ 2.95Å; A622-N836 HydrophobicContact CB-CB 3.82Å; A622-N836 PolarHBondContact N-O 3.04Å; A622-R838 HydrophobicContact CB-CG 4.07Å
623	P	70.2	Confident	65	Low	75 Å²	75	68.1 Å²	68.1	49%	0.487	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-52.2	146.8	164.9	-22.1	33.6	0	0	0	110.3
624	V	56.8	Low	62.1	Low	65 Å²	65	73.8 Å²	73.8	39%	0.394	44%	0.444	S	S	.	.			trans	-89.8	109.3	162.7	-169.5	0	0	0	0	105.8	N626	V624-N626 PolarHBondContact O-N 2.83Å
625	E	47.1	Very low	59	Low	168 Å²	168	78.1 Å²	78.1	79%	0.785	48%	0.475	S	S	*	.			trans	-70.5	105	156.9	-71.8	176.1	174.9	0	0	106.2	A627	E625-A627 PolarHBondContact O-N 2.98Å
626	N	35.4	Very low	56	Low	121 Å²	121	86.1 Å²	86.1	65%	0.647	52%	0.517	S	S	*	.			trans	-62.3	125.4	168.3	-68.7	-24.7	0	0	0	106.9	V624	V624-N626 PolarHBondContact O-N 2.83Å
627	A	28.5	Very low	53.2	Low	88 Å²	88	94 Å²	94	73%	0.727	56%	0.558	S	S	*	*			trans	-58.9	138.7	-178.8	0	0	0	0	0	110.1	E625 E629	E625-A627 PolarHBondContact O-N 2.98Å; A627-E629 PolarHBondContact O-N 2.7Å
628	P	35.1	Very low	50.3	Low	128 Å²	128	96.8 Å²	96.8	83%	0.831	59%	0.589	S	S	*	*			trans	-71.2	115.3	180	28.2	-32.9	0	0	0	109.8	A630	P628-A630 PolarHBondContact O-N 2.73Å
629	E	34.2	Very low	47.1	Very low	194 Å²	194	104.2 Å²	104.2	91%	0.907	63%	0.628	S	S	*	*			trans	-66.7	119.8	164	-70.1	-173.2	156.8	0	0	109.3	A627	A627-E629 PolarHBondContact O-N 2.7Å
630	A	32.3	Very low	44.1	Very low	81 Å²	81	110.1 Å²	110.1	67%	0.669	66%	0.664	S	S	*	*	S	Bend	trans	19	119	160	0	0	0	0	0	120.7	P628	P628-A630 PolarHBondContact O-N 2.73Å
631	T	29.1	Very low	40.9	Very low	135 Å²	135	112.8 Å²	112.8	83%	0.828	69%	0.687	S	S	*	*			trans	76.6	153.9	138.7	37.9	0	0	0	0	122.2
632	V	36.6	Very low	38.1	Very low	128 Å²	128	117.5 Å²	117.5	78%	0.776	72%	0.717	S	S	*	*			trans	85.6	78.4	168.1	-159.1	0	0	0	0	117.6
633	S	31.7	Very low	35.7	Very low	108 Å²	108	123.3 Å²	123.3	76%	0.755	75%	0.752	S	S	*	*			trans	21	123.1	133.8	58.7	0	0	0	0	120.6
634	S	34.5	Very low	33.8	Very low	119 Å²	119	124.6 Å²	124.6	83%	0.832	76%	0.763	S	S	*	*				-171.9	151	94.6	-167.9	0	0	0	0	111
635	S	31.8	Very low	32.9	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	79%	0.785	S	S	*	*			trans	-74.2	144	175.5	49.1	0	0	0	0	112.9
636	D	34.2	Very low	32.2	Very low	167 Å²	167	126.1 Å²	126.1	89%	0.893	79%	0.787	S	S	*	*				-158	146.7	129.4	-98.9	-28.5	0	0	0	111.6
637	I	34	Very low	32.3	Very low	167 Å²	167	124.8 Å²	124.8	86%	0.856	79%	0.792	S	S	*	*			trans	-108.6	135.2	-170.9	-64.4	168.2	0	0	0	109.4
638	G	30.7	Very low	32.6	Very low	68 Å²	68	125.1 Å²	125.1	70%	0.701	80%	0.795	S	S	*	*			trans	-174.1	97.1	176.5	0	0	0	0	0	115.9
639	N	27.6	Very low	32.7	Very low	160 Å²	160	128.6 Å²	128.6	86%	0.856	80%	0.8	S	S	*	*			trans	-33.9	133.1	174.4	-58.6	-14.1	0	0	0	116.8
640	V	31.7	Very low	32.8	Very low	127 Å²	127	124.9 Å²	124.9	77%	0.77	80%	0.796	S	S	*	*			trans	-134.5	106.8	153.8	-176.9	0	0	0	0	110.5	V642	V640-V642 HydrophobicContact CG1-CG2 3.99Å
641	T	26.2	Very low	32.8	Very low	139 Å²	139	126.8 Å²	126.8	85%	0.853	80%	0.799	S	S	*	*			trans	-65.7	132.1	161.3	42.4	0	0	0	0	110.2
642	V	32.8	Very low	33	Very low	130 Å²	130	126.7 Å²	126.7	79%	0.788	79%	0.794	S	S	*	*			trans	-122	121.5	170.6	-175.7	0	0	0	0	110.6	V640	V640-V642 HydrophobicContact CG1-CG2 3.99Å
643	T	30	Very low	32.9	Very low	126 Å²	126	129.8 Å²	129.8	77%	0.773	80%	0.797	S	S	*	*			trans	-74.2	145.9	-177.5	45.3	0	0	0	0	113.6
644	S	29.6	Very low	32.9	Very low	101 Å²	101	132 Å²	132	71%	0.706	80%	0.8	S	S	*	*			trans	-65.2	137.1	164.8	49	0	0	0	0	112.3
645	P	37.3	Very low	32.9	Very low	132 Å²	132	133.7 Å²	133.7	86%	0.857	80%	0.799	S	S	*	*			trans	-87.1	110.2	173.8	32.7	-30.8	0	0	0	111.4
646	T	32.3	Very low	33	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	80%	0.797	S	S	*	*			trans	-94.5	123.2	165.5	-55.1	0	0	0	0	109
647	A	37.8	Very low	33	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	79%	0.793	S	S	*	*			trans	-82	127	-178.9	0	0	0	0	0	112
648	A	35.5	Very low	33.1	Very low	95 Å²	95	129.3 Å²	129.3	79%	0.785	79%	0.791	S	S	*	*			trans	20.2	105.9	152.8	0	0	0	0	0	118.9
649	Q	36.9	Very low	33.2	Very low	200 Å²	200	130.2 Å²	130.2	94%	0.935	79%	0.792	S	S	*	*			trans	-128.7	152.2	135.8	-71.7	-163.8	9.3	0	0	110.3
650	S	36.9	Very low	33.6	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	80%	0.796	S	S	*	*			trans	-74.6	150.5	-161.4	38.1	0	0	0	0	115
651	T	30.9	Very low	33.4	Very low	121 Å²	121	131.2 Å²	131.2	74%	0.742	80%	0.798	S	S	*	*			trans	-54.8	137.5	174	49.5	0	0	0	0	113.7
652	N	34	Very low	33.7	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	80%	0.802	S	S	*	*				-171.5	157.4	109	-90.9	-16.2	0	0	0	113.2
653	F	35.3	Very low	33.7	Very low	193 Å²	193	128.8 Å²	128.8	85%	0.846	80%	0.804	S	S	*	*			trans	91.9	121.5	172.6	-59.6	-72.4	0	0	0	118.7
654	N	31.7	Very low	33.7	Very low	154 Å²	154	133.5 Å²	133.5	82%	0.824	81%	0.808	S	S	*	*			trans	-80.3	157.1	-178	-49.5	-48.8	0	0	0	110.1
655	L	34	Very low	34	Very low	154 Å²	154	135.4 Å²	135.4	81%	0.806	82%	0.815	S	S	*	*				-163	140.9	90	-153.7	61.7	0	0	0	113.1
656	S	34	Very low	33.6	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	81%	0.805	S	S	*	*			trans	-0.5	150.6	144.4	-32.9	0	0	0	0	118.3
657	T	34.8	Very low	33.9	Very low	131 Å²	131	139 Å²	139	80%	0.804	81%	0.812	S	S	*	*			cis	-170.9	173.8	5.7	7.9	0	0	0	0	106.5
658	S	36	Very low	33.5	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	81%	0.808	S	S	*	*			cis	-152.3	-169.8	8.6	-141.3	0	0	0	0	110.4
659	A	32.1	Very low	33.6	Very low	87 Å²	87	141.9 Å²	141.9	72%	0.719	81%	0.808	S	S	*	*			trans	-128.2	162.9	179.4	0	0	0	0	0	113.9
660	V	35	Very low	33.5	Very low	154 Å²	154	140.3 Å²	140.3	93%	0.933	80%	0.801	S	S	*	*			trans	-140	130.9	154.6	-166.8	0	0	0	0	108.6
661	N	29	Very low	33.5	Very low	154 Å²	154	140 Å²	140	82%	0.824	80%	0.799	S	S	*	*			trans	-152.1	133.2	-174.8	-156.9	37	0	0	0	110.2
662	C	32.1	Very low	33.9	Very low	138 Å²	138	139.4 Å²	139.4	93%	0.932	80%	0.8	S	S	*	*			trans	-169.6	146.7	170.1	-93.1	0	0	0	0	107.8
663	G	33.1	Very low	33.9	Very low	81 Å²	81	138.4 Å²	138.4	84%	0.835	80%	0.803	S	S	*	*			cis	-172	162.7	-3.4	0	0	0	0	0	109
664	R	30.5	Very low	33.9	Very low	225 Å²	225	134.8 Å²	134.8	85%	0.849	80%	0.799	S	S	*	*			trans	-125.8	151.6	-170.7	-171.2	-176.2	-178.3	-171.3	1	110.6
665	T	35.5	Very low	34.4	Very low	140 Å²	140	133.5 Å²	133.5	86%	0.859	80%	0.799	S	S	*	*			trans	-136	146.4	166.5	42.9	0	0	0	0	111.5
666	D	27.8	Very low	34.5	Very low	120 Å²	120	129.6 Å²	129.6	64%	0.642	80%	0.796	S	S	*	*			trans	-108.6	161.9	-176.5	-67	-55.3	0	0	0	111.6
667	F	38.4	Very low	34.5	Very low	223 Å²	223	130.7 Å²	130.7	98%	0.978	80%	0.803	S	S	*	*			trans	-141.9	150.4	149.7	-92.8	-75.8	0	0	0	111
668	S	29.7	Very low	34.5	Very low	98 Å²	98	130.4 Å²	130.4	69%	0.685	80%	0.804	S	S	*	*			trans	-146.9	179.8	-164.1	-178.4	0	0	0	0	111
669	L	38.1	Very low	34.5	Very low	150 Å²	150	133.3 Å²	133.3	79%	0.785	80%	0.804	S	S	*	*			trans	101.9	146.7	171.8	-57	162.6	0	0	0	115.6
670	Q	35	Very low	34.4	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	81%	0.808	S	S	*	*			cis	161.7	134.3	-32.1	-106.4	-174.3	4.3	0	0	108.3
671	S	37.3	Very low	34.3	Very low	111 Å²	111	134.9 Å²	134.9	78%	0.776	80%	0.804	S	S	*	*			trans	163.5	115.2	144.7	54.6	0	0	0	0	110.5
672	S	38	Very low	34.3	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	80%	0.802	S	S	*	*				74.2	129.9	100.9	75.6	0	0	0	0	115.4
673	S	34.5	Very low	34.1	Very low	112 Å²	112	137.4 Å²	137.4	78%	0.783	80%	0.802	S	S	*	*			cis	-161.2	167	-0.5	-80.1	0	0	0	0	111.1
674	P	36.3	Very low	33.9	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	79%	0.791	S	S	*	*			trans	-116	-153.6	-169.3	47.1	-36.1	0	0	0	112
675	P	41.5	Very low	33.7	Very low	127 Å²	127	134 Å²	134	83%	0.825	79%	0.79	S	S	*	*			cis	-133.3	176.7	-15.6	40.6	-24.2	0	0	0	115.4
676	G	34.8	Very low	33.4	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	78%	0.784	S	S	*	*			trans	152.5	75.2	152.1	0	0	0	0	0	120
677	S	36.1	Very low	33.6	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	79%	0.793	S	S	*	*			trans	177.4	139.1	149.2	-83.7	0	0	0	0	111	H679	S677-H679 PolarHBondContact O-N 3.15Å
678	P	33	Very low	33.1	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	78%	0.782	S	S	*	*			trans	-87.8	103.5	-176.1	33.2	-32.5	0	0	0	112.4
679	H	35.8	Very low	33.4	Very low	179 Å²	179	125.1 Å²	125.1	83%	0.829	78%	0.78	S	S	*	*			trans	-121	102.8	164.3	-81.5	5.2	0	0	0	110.3	S677 N681	S677-H679 PolarHBondContact O-N 3.15Å; H679-N681 PolarHBondContact O-N 2.94Å; H679-N681 VanDerWaalsContact O-N 3.11Å
680	S	31.4	Very low	34	Very low	115 Å²	115	120.6 Å²	120.6	80%	0.804	76%	0.759	S	S	*	*			trans	-80.1	83.6	-179.9	54.3	0	0	0	0	111.3	E682	S680-E682 PolarHBondContact O-N 3Å
681	N	31.7	Very low	35.4	Very low	158 Å²	158	118.7 Å²	118.7	85%	0.845	75%	0.754	S	S	*	*			trans	-86.3	89.9	159.4	-84.3	-2.7	0	0	0	108.9	H679 L683	H679-N681 PolarHBondContact O-N 2.94Å; H679-N681 VanDerWaalsContact O-N 3.11Å; N681-L683 PolarHBondContact O-N 2.83Å
682	E	29.5	Very low	37	Very low	169 Å²	169	114.9 Å²	114.9	79%	0.79	73%	0.729	S	S	*	*			trans	-68.9	94.3	164.4	-87.8	-171.1	131.7	0	0	109.2	S680 T684	S680-E682 PolarHBondContact O-N 3Å; E682-T684 HydrophobicContact CB-CG2 4.41Å; E682-T684 PolarHBondContact O-N 3.33Å
683	L	27.9	Very low	38.9	Very low	177 Å²	177	111.4 Å²	111.4	93%	0.927	70%	0.7	S	S	*	*			trans	-70.6	77.1	165.5	-168.1	76.7	0	0	0	109	N681	N681-L683 PolarHBondContact O-N 2.83Å
684	T	29.6	Very low	41.3	Very low	99 Å²	99	110.1 Å²	110.1	61%	0.607	68%	0.682	S	S	*	*			trans	-88.7	128.4	167.9	49	0	0	0	0	109	E682 S686	E682-T684 HydrophobicContact CB-CG2 4.41Å; E682-T684 PolarHBondContact O-N 3.33Å; T684-S686 VanDerWaalsContact C-N 3.27Å; T684-S686 PolarHBondContact O-N 2.83Å
685	T	25.7	Very low	43.9	Very low	136 Å²	136	104.5 Å²	104.5	83%	0.834	65%	0.646	S	S	*	*			trans	-66.8	86.9	172.3	48.7	0	0	0	0	109.3	V687	T685-V687 PolarHBondContact O-N 2.63Å
686	S	30.1	Very low	46.3	Very low	103 Å²	103	100.5 Å²	100.5	72%	0.72	62%	0.616	S	S	*	*			trans	-69.1	104.9	175.4	59.7	0	0	0	0	109.4	T684 A688	T684-S686 VanDerWaalsContact C-N 3.27Å; T684-S686 PolarHBondContact O-N 2.83Å; S686-A688 PolarHBondContact O-N 2.95Å
687	V	31.6	Very low	49.1	Very low	137 Å²	137	97.1 Å²	97.1	83%	0.83	58%	0.581	S	S	*	*			trans	-43.8	123.2	160.9	175	0	0	0	0	108	T685 G689	T685-V687 PolarHBondContact O-N 2.63Å; V687-G689 PolarHBondContact O-N 2.85Å
688	A	27.8	Very low	51.8	Low	90 Å²	90	93.5 Å²	93.5	74%	0.744	55%	0.551	S	S	*	*			trans	-47.4	107.1	-170.8	0	0	0	0	0	111.4	S686 T690	S686-A688 PolarHBondContact O-N 2.95Å; A688-T690 PolarHBondContact O-N 3.25Å; A688-T690 VanDerWaalsContact O-N 3.15Å
689	G	34.9	Very low	54.7	Low	63 Å²	63	89 Å²	89	65%	0.649	52%	0.519	S	S	*	.			trans	-68.2	112.2	-179.6	0	0	0	0	0	109	V687 D691	V687-G689 PolarHBondContact O-N 2.85Å; G689-D691 PolarHBondContact O-N 2.62Å
690	T	52.4	Low	57.3	Low	55 Å²	55	82.7 Å²	82.7	34%	0.337	49%	0.487	S	S	.	.			trans	-59.3	99.6	166	50.3	0	0	0	0	108.6	A688 A692 R747	A688-T690 PolarHBondContact O-N 3.25Å; A688-T690 VanDerWaalsContact O-N 3.15Å; T690-A692 PolarHBondContact O-N 2.95Å; T690-R747 WeakPolarHBondContact OG1-CG 3.35Å; T690-R747 PolarHBondContact OG1-NE 2.6Å
691	D	64.6	Low	59.8	Low	127 Å²	127	78.7 Å²	78.7	68%	0.679	46%	0.458	S	S	*	.			trans	-53	125.9	177.4	-94.6	-27	0	0	0	110.1	G689	G689-D691 PolarHBondContact O-N 2.62Å
692	A	70.9	Confident	61.6	Low	30 Å²	30	73 Å²	73	25%	0.248	43%	0.431	C	S	.	.			trans	-72	134.4	-178.1	0	0	0	0	0	110.2	T690 A745 F746 E780	T690-A692 PolarHBondContact O-N 2.95Å; A692-A745 HydrophobicContact CB-CB 4.13Å; A692-F746 WeakPolarHBondContact CA-O 3.14Å; A692-E780 HydrophobicContact CB-CB 3.61Å; A692-E780 HydrophobicContact CB-CG 3.83Å; A692-E780 WeakPolarHBondContact CB-OE2 3.08Å
693	K	77.7	Confident	62.9	Low	35 Å²	35	68.7 Å²	68.7	15%	0.152	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.1	-175.3	-53.2	-163.4	-169.8	171.8	0	110.6	A622 L695 A745 F746 I835	A622-K693 PolarHBondContact O-NZ 2.95Å; K693-L695 HydrophobicContact CB-CD1 4.45Å; K693-L695 HydrophobicContact CB-CD2 4.3Å; K693-L695 HydrophobicContact CB-CG 4.21Å; K693-L695 PolarHBondContact O-N 3.07Å; K693-A745 CarbonylContact O-C 3.55Å; K693-A745 WeakPolarHBondContact O-CA 3.33Å; K693-F746 PolarHBondContact N-O 3.49Å; K693-F746 PolarHBondContact O-N 3.29Å; K693-I835 HydrophobicContact CD-CG2 3.5Å
694	E	84.8	Confident	63.9	Low	85 Å²	85	65.4 Å²	65.4	40%	0.397	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.8	174.2	-158.2	-169.1	169.6	0	0	110.3	R830	E694-R830 PolarHBondContact O-N 3.18Å; E694-R830 WeakPolarHBondContact OE1-CD 3.43Å; E694-R830 IonicContact OE1-CZ 3.8Å; E694-R830 IonicContact OE1-NE 2.74Å; E694-R830 IonicContact OE1-NH1 3.47Å; E694-R830 PolarHBondContact OE1-NH1 2.76Å
695	L	90.2	Very high	64.8	Low	1 Å²	1	65 Å²	65	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.4	-175.3	-55.4	171.5	0	0	0	110.9	L621 K693 T744 F746 L749 S828 T829 I835	L621-L695 HydrophobicContact CD1-CD1 3.61Å; L621-L695 HydrophobicContact CD2-CD1 4.3Å; K693-L695 HydrophobicContact CB-CD1 4.45Å; K693-L695 HydrophobicContact CB-CD2 4.3Å; K693-L695 HydrophobicContact CB-CG 4.21Å; K693-L695 PolarHBondContact O-N 3.07Å; L695-T744 PolarHBondContact N-O 3.39Å; L695-T744 PolarHBondContact O-N 2.82Å; L695-F746 HydrophobicContact CB-CD2 3.82Å; L695-F746 HydrophobicContact CB-CE2 3.95Å; L695-F746 HydrophobicContact CD1-CB 4.47Å; L695-F746 HydrophobicContact CD1-CD2 3.91Å; L695-F746 HydrophobicContact CG-CD2 4.14Å; L695-L749 HydrophobicContact CD1-CD2 4.24Å; L695-S828 WeakPolarHBondContact CA-O 3.32Å; L695-T829 HydrophobicContact CD2-CG2 3.95Å; L695-I835 HydrophobicContact CD2-CD1 4.47Å; L695-I835 HydrophobicContact CD2-CG2 4.25Å
696	Q	91.7	Very high	65	Low	42 Å²	42	64.2 Å²	64.2	20%	0.196	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.4	165.5	165.2	169.8	-22.7	0	0	108.4	E698 K743 S828	Q696-E698 PolarHBondContact NE2-OE1 3.13Å; Q696-K743 HydrophobicContact CB-CG 4.12Å; Q696-K743 HydrophobicContact CG-CG 4.18Å; Q696-K743 VanDerWaalsContact OE1-NZ 3.12Å; Q696-S828 WeakPolarHBondContact CB-OG 3.33Å; Q696-S828 PolarHBondContact N-O 2.86Å; Q696-S828 PolarHBondContact O-N 2.96Å; Q696-S828 PolarHBondContact O-OG 3.34Å
697	I	93	Very high	65.1	Low	0 Å²	0	67.7 Å²	67.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134	177.4	-58.4	-179.2	0	0	0	109.3	Y699 T741 M742 F746 L749 F825 I826 C827	I697-Y699 HydrophobicContact CG2-CD1 4.15Å; I697-T741 CarbonylContact O-C 3.6Å; I697-T741 WeakPolarHBondContact O-CA 3.42Å; I697-M742 PolarHBondContact N-O 2.88Å; I697-M742 PolarHBondContact O-N 3Å; I697-F746 HydrophobicContact CD1-CD2 4.43Å; I697-F746 HydrophobicContact CD1-CE1 4.02Å; I697-F746 HydrophobicContact CD1-CE2 3.56Å; I697-F746 HydrophobicContact CD1-CZ 3.3Å; I697-F746 HydrophobicContact CG1-CE2 4.05Å; I697-F746 HydrophobicContact CG1-CZ 4.14Å; I697-L749 HydrophobicContact CD1-CD1 4.02Å; I697-L749 HydrophobicContact CD1-CD2 3.96Å; I697-F825 HydrophobicContact CD1-CE2 4.25Å; I697-F825 HydrophobicContact CD1-CZ 3.94Å; I697-F825 HydrophobicContact CG1-CZ 4.28Å; I697-F825 HydrophobicContact CG2-CD2 3.99Å; I697-F825 HydrophobicContact CG2-CE2 3.36Å; I697-F825 HydrophobicContact CG2-CZ 3.7Å; I697-I826 CarbonylContact C-O 3.57Å; I697-I826 VanDerWaalsContact CA-O 3.25Å; I697-I826 WeakPolarHBondContact CA-O 3.47Å; I697-C827 HydrophobicContact CG1-CB 4.42Å
698	E	94	Very high	65.1	Low	37 Å²	37	66.2 Å²	66.2	17%	0.173	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.8	170.4	-66.8	178.4	-149.1	0	0	108.6	Q696 W700 K739 C740 T741 I826	Q696-E698 PolarHBondContact NE2-OE1 3.13Å; E698-W700 HydrophobicContact CB-CH2 4.35Å; E698-W700 HydrophobicContact CB-CZ3 4.24Å; E698-K739 WeakPolarHBondContact OE2-CE 3.41Å; E698-K739 IonicContact OE2-NZ 2.75Å; E698-K739 PolarHBondContact OE2-NZ 3.17Å; E698-C740 WeakPolarHBondContact CA-O 3.38Å; E698-T741 HydrophobicContact CG-CG2 3.95Å; E698-I826 HydrophobicContact CB-CB 4.32Å; E698-I826 PolarHBondContact N-O 2.68Å; E698-I826 PolarHBondContact O-N 3.07Å
699	Y	93	Very high	65	Low	31 Å²	31	67.7 Å²	67.7	12%	0.122	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.3	-175.7	65.7	-84.3	0	0	0	111.8	I697 T701 C740 F775 V819 I822 R824	I697-Y699 HydrophobicContact CG2-CD1 4.15Å; Y699-T701 HydrophobicContact CD2-CG2 3.93Å; Y699-T701 HydrophobicContact CE2-CG2 3.9Å; Y699-C740 HydrophobicContact CD1-CB 4Å; Y699-C740 HydrophobicContact CD2-CB 4.01Å; Y699-C740 HydrophobicContact CE1-CB 3.51Å; Y699-C740 HydrophobicContact CE2-CB 3.53Å; Y699-C740 HydrophobicContact CG-CB 4.23Å; Y699-C740 PolarHBondContact N-O 2.86Å; Y699-C740 PolarHBondContact O-N 3.03Å; Y699-F775 HydrophobicContact CD1-CE1 4.01Å; Y699-F775 HydrophobicContact CD1-CZ 4.12Å; Y699-F775 HydrophobicContact CD2-CE1 4.2Å; Y699-F775 HydrophobicContact CE1-CE1 4.32Å; Y699-F775 HydrophobicContact CE1-CZ 4.07Å; Y699-F775 HydrophobicContact CE2-CE1 4.5Å; Y699-F775 AromaticContact CG-CE1 3.94Å; Y699-F775 HydrophobicContact CG-CE1 3.94Å; Y699-F775 HydrophobicContact CG-CZ 4.49Å; Y699-V819 HydrophobicContact CD2-CG1 4.42Å; Y699-V819 HydrophobicContact CE2-CG1 3.81Å; Y699-I822 HydrophobicContact CD2-CD1 4.22Å; Y699-I822 HydrophobicContact CD2-CG1 4.29Å; Y699-R824 VanDerWaalsContact CA-O 3.3Å; Y699-R824 WeakPolarHBondContact CA-O 3.4Å
700	W	90.3	Very high	64.8	Low	46 Å²	46	68.8 Å²	68.8	17%	0.174	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.9	-178.3	-72	-104.3	0	0	0	110.1	E698 A738 K739 I822 S823 R824 I826	E698-W700 HydrophobicContact CB-CH2 4.35Å; E698-W700 HydrophobicContact CB-CZ3 4.24Å; W700-A738 WeakPolarHBondContact CA-O 3.38Å; W700-K739 HydrophobicContact CD2-CG 4.39Å; W700-K739 HydrophobicContact CH2-CD 4.46Å; W700-K739 HydrophobicContact CZ2-CD 3.74Å; W700-K739 HydrophobicContact CZ2-CG 3.96Å; W700-I822 WeakPolarHBondContact O-CA 3.43Å; W700-S823 WeakPolarHBondContact CB-OG 3.36Å; W700-S823 PolarHBondContact O-N 3.48Å; W700-S823 PolarHBondContact O-OG 2.92Å; W700-R824 HydrophobicContact CB-CB 4.4Å; W700-R824 HydrophobicContact CD2-CB 4.32Å; W700-R824 HydrophobicContact CE3-CB 3.78Å; W700-R824 HydrophobicContact CE3-CG 3.81Å; W700-R824 HydrophobicContact CZ3-CB 4.49Å; W700-R824 HydrophobicContact CZ3-CG 4.02Å; W700-R824 PolarHBondContact N-O 2.95Å; W700-I826 HydrophobicContact CH2-CD1 3.75Å; W700-I826 HydrophobicContact CZ3-CD1 3.71Å; W700-I826 HydrophobicContact CZ3-CG1 4.02Å
701	T	84.1	Confident	63.8	Low	32 Å²	32	72 Å²	72	20%	0.196	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.1	177.4	55.5	0	0	0	0	110.5	Y699 A738 I822	Y699-T701 HydrophobicContact CD2-CG2 3.93Å; Y699-T701 HydrophobicContact CE2-CG2 3.9Å; T701-A738 PolarHBondContact N-O 2.97Å; T701-A738 VanDerWaalsContact N-O 3.09Å; T701-A738 PolarHBondContact O-N 3.35Å; T701-I822 HydrophobicContact CG2-CG1 4.22Å
702	S	69.4	Low	62	Low	38 Å²	38	71.9 Å²	71.9	27%	0.266	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.2	172.3	-61.3	0	0	0	0	110.2	N704 G821	S702-N704 VanDerWaalsContact C-N 3.25Å; S702-N704 PolarHBondContact O-N 2.9Å; S702-G821 PolarHBondContact N-O 2.98Å
703	S	57.5	Low	60.1	Low	78 Å²	78	75.8 Å²	75.8	55%	0.545	44%	0.442	S	S	.	.	S	Bend	trans	-76.7	-2.2	-172.8	52	0	0	0	0	115.6	N736	S703-N736 PolarHBondContact N-O 3.15Å; S703-N736 PolarHBondContact OG-O 3.19Å
704	N	48.8	Very low	57.8	Low	108 Å²	108	79.2 Å²	79.2	58%	0.578	48%	0.477	S	S	*	.			trans	-119.2	32.4	-162.3	-62.1	14.4	0	0	0	113.9	S702 N736	S702-N704 VanDerWaalsContact C-N 3.25Å; S702-N704 PolarHBondContact O-N 2.9Å; N704-N736 PolarHBondContact ND2-ND2 3.46Å
705	L	48.3	Very low	55.3	Low	90 Å²	90	80.9 Å²	80.9	47%	0.471	49%	0.493	S	S	.	.			trans	-92.1	117.7	169.5	-75	171.3	0	0	0	110.4	F707 L772	L705-F707 PolarHBondContact O-N 2.86Å; L705-L772 HydrophobicContact CD1-CD1 3.69Å; L705-L772 HydrophobicContact CG-CD1 4.45Å
706	P	30.8	Very low	52.3	Low	120 Å²	120	87.4 Å²	87.4	78%	0.779	54%	0.535	S	S	*	.			trans	-71.6	109.9	166	29.6	-30.8	0	0	0	108.5
707	F	31.7	Very low	49.4	Very low	177 Å²	177	90.5 Å²	90.5	78%	0.776	56%	0.562	S	S	*	*			trans	-65.5	132.8	167.4	-75.7	-89.6	0	0	0	109.2	L705 S709	L705-F707 PolarHBondContact O-N 2.86Å; F707-S709 PolarHBondContact O-N 3.41Å; F707-S709 VanDerWaalsContact O-N 3.16Å
708	P	30.3	Very low	46.5	Very low	106 Å²	106	96.8 Å²	96.8	69%	0.688	60%	0.6	S	S	*	*			trans	-66.3	114.1	161.1	29.1	-31.2	0	0	0	107.7	T710	P708-T710 PolarHBondContact O-N 3.04Å; P708-T710 PolarHBondContact O-OG1 2.81Å
709	S	26.5	Very low	43.3	Very low	120 Å²	120	100.4 Å²	100.4	84%	0.839	63%	0.627	S	S	*	*			trans	-77.2	73.6	172	56.2	0	0	0	0	109.4	F707 V711	F707-S709 PolarHBondContact O-N 3.41Å; F707-S709 VanDerWaalsContact O-N 3.16Å; S709-V711 PolarHBondContact O-N 3.03Å; S709-V711 VanDerWaalsContact O-N 3.16Å
710	T	31	Very low	40.2	Very low	87 Å²	87	106.4 Å²	106.4	53%	0.534	66%	0.66	S	S	.	*			trans	-80.3	100.2	-174.6	-34.8	0	0	0	0	111.4	P708	P708-T710 PolarHBondContact O-N 3.04Å; P708-T710 PolarHBondContact O-OG1 2.81Å
711	V	30	Very low	37.1	Very low	122 Å²	122	114.8 Å²	114.8	74%	0.739	69%	0.692	S	S	*	*			trans	40.4	113.3	146.5	-168.7	0	0	0	0	118.4	S709 S713	S709-V711 PolarHBondContact O-N 3.03Å; S709-V711 VanDerWaalsContact O-N 3.16Å; V711-S713 PolarHBondContact O-N 3.24Å
712	S	27.1	Very low	34.4	Very low	125 Å²	125	122.1 Å²	122.1	87%	0.874	72%	0.724	S	S	*	*			trans	-54.9	116.5	166	-51.5	0	0	0	0	113.1
713	S	32.2	Very low	32.3	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	75%	0.748	S	S	*	*			trans	-128.7	150.1	157.4	66.9	0	0	0	0	110.1	V711 T715	V711-S713 PolarHBondContact O-N 3.24Å; S713-T715 PolarHBondContact O-N 3.42Å
714	A	28.4	Very low	30.8	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	76%	0.763	S	S	*	*	S	Bend	trans	-80.1	114.8	-149.3	0	0	0	0	0	115.5
715	T	32	Very low	30	Very low	121 Å²	121	131.8 Å²	131.8	74%	0.742	77%	0.768	S	S	*	*			trans	-147.3	135.4	141.3	31.3	0	0	0	0	109.7	S713 S717	S713-T715 PolarHBondContact O-N 3.42Å; T715-S717 PolarHBondContact O-N 2.83Å
716	P	27.8	Very low	29.2	Very low	137 Å²	137	133.6 Å²	133.6	89%	0.89	79%	0.788	S	S	*	*			trans	-79.9	87.5	-176.1	32.3	-34.2	0	0	0	110.7
717	S	30.9	Very low	29.6	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-95.2	127.7	165.2	57.6	0	0	0	0	110.2	T715	T715-S717 PolarHBondContact O-N 2.83Å
718	V	31.9	Very low	29.9	Very low	132 Å²	132	129.1 Å²	129.1	80%	0.8	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-60.1	133.1	-171.3	177.8	0	0	0	0	110.7	L720	V718-L720 PolarHBondContact O-N 3.42Å; V718-L720 VanDerWaalsContact O-N 3.15Å
719	P	26.5	Very low	30.5	Very low	114 Å²	114	132.9 Å²	132.9	74%	0.74	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-59.9	122.7	174.9	25.4	-34	0	0	0	109.3	R721	P719-R721 PolarHBondContact O-N 3.02Å
720	L	28.3	Very low	31.1	Very low	157 Å²	157	132.3 Å²	132.3	82%	0.822	75%	0.747	S	S	*	*			trans	-64.1	99.2	-175.5	-167.3	77.8	0	0	0	109.6	V718 Q722	V718-L720 PolarHBondContact O-N 3.42Å; V718-L720 VanDerWaalsContact O-N 3.15Å; L720-Q722 PolarHBondContact O-N 3.38Å
721	R	25.4	Very low	31.8	Very low	222 Å²	222	135.9 Å²	135.9	84%	0.838	76%	0.761	S	S	*	*			trans	-52.8	130	165	-88	-175.8	171.1	173.4	-2	107.6	P719 E723	P719-R721 PolarHBondContact O-N 3.02Å; R721-E723 PolarHBondContact O-N 3.15Å
722	Q	27.7	Very low	32.4	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	76%	0.755	S	S	*	*			trans	-73.9	67	-174.8	-167.4	174.7	-6.7	0	0	110.3	L720 S724	L720-Q722 PolarHBondContact O-N 3.38Å; Q722-S724 PolarHBondContact O-N 2.91Å
723	E	25.7	Very low	32.8	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	76%	0.759	S	S	*	*			trans	-60.7	134.3	176	-71.9	-172.5	160.1	0	0	109.8	R721 M725	R721-E723 PolarHBondContact O-N 3.15Å; E723-M725 PolarHBondContact O-N 2.84Å
724	S	25.3	Very low	33	Very low	122 Å²	122	137 Å²	137	85%	0.853	76%	0.761	S	S	*	*			trans	-54.4	95.1	-164.1	54.3	0	0	0	0	113.8	Q722 S726	Q722-S724 PolarHBondContact O-N 2.91Å; S724-S726 PolarHBondContact O-N 3.43Å
725	M	32	Very low	33.9	Very low	136 Å²	136	135 Å²	135	67%	0.67	75%	0.751	S	S	*	*			trans	-70.3	125.6	161.2	-69.6	-149.6	-166.4	0	0	109	E723 S727	E723-M725 PolarHBondContact O-N 2.84Å; M725-S727 PolarHBondContact O-N 2.94Å
726	S	32.1	Very low	35.3	Very low	128 Å²	128	134.6 Å²	134.6	90%	0.895	74%	0.744	S	S	*	*			trans	-73.3	42.2	167.4	66.1	0	0	0	0	111.9	S724 K728	S724-S726 PolarHBondContact O-N 3.43Å; S726-K728 PolarHBondContact O-N 3.41Å
727	S	38.2	Very low	37.3	Very low	51 Å²	51	133.3 Å²	133.3	36%	0.357	73%	0.726	S	S	.	*			trans	-86.1	97.1	178.4	52.4	0	0	0	0	109.2	M725 R729	M725-S727 PolarHBondContact O-N 2.94Å; S727-R729 PolarHBondContact O-N 3.26Å
728	K	37.9	Very low	39.6	Very low	152 Å²	152	130.4 Å²	130.4	66%	0.661	71%	0.708	S	S	*	*			trans	-65	101.5	170.5	-162.9	-171.2	-171.5	-163.4	0	108.4	S726 E730	S726-K728 PolarHBondContact O-N 3.41Å; K728-E730 HydrophobicContact CD-CG 4.26Å; K728-E730 WeakPolarHBondContact CE-OE1 3.22Å; K728-E730 HydrophobicContact CG-CG 4.34Å; K728-E730 IonicContact NZ-OE1 3.57Å; K728-E730 PolarHBondContact NZ-OE1 2.69Å
729	R	43.6	Very low	42.3	Very low	185 Å²	185	127.3 Å²	127.3	70%	0.698	68%	0.684	S	S	*	*			trans	-83.4	108.6	169.2	-69	-177.7	-177.6	172.9	0	107.8	S727	S727-R729 PolarHBondContact O-N 3.26Å
730	E	38.1	Very low	45.4	Very low	109 Å²	109	122.9 Å²	122.9	51%	0.509	66%	0.656	S	S	.	*	B	Isolated β-bridge	trans	-95.5	109.1	168.1	-73.9	176.6	170.1	0	0	108	K728 G732	K728-E730 HydrophobicContact CD-CG 4.26Å; K728-E730 WeakPolarHBondContact CE-OE1 3.22Å; K728-E730 HydrophobicContact CG-CG 4.34Å; K728-E730 IonicContact NZ-OE1 3.57Å; K728-E730 PolarHBondContact NZ-OE1 2.69Å; E730-G732 PolarHBondContact O-N 2.93Å
731	I	46.7	Very low	48.3	Very low	162 Å²	162	117.3 Å²	117.3	83%	0.831	63%	0.628	S	S	*	*			trans	-83	95.3	171.5	-60.3	174.3	0	0	0	106.3
732	G	42.6	Very low	51.3	Low	59 Å²	59	108 Å²	108	61%	0.608	60%	0.595	S	S	*	*			trans	-72.2	138.3	175.1	0	0	0	0	0	111.3	E730 S734	E730-G732 PolarHBondContact O-N 2.93Å; G732-S734 VanDerWaalsContact C-N 3.33Å; G732-S734 PolarHBondContact O-N 2.68Å
733	Q	35.1	Very low	54.2	Low	205 Å²	205	104.2 Å²	104.2	96%	0.958	58%	0.575	S	S	*	*	S	Bend	trans	-73.8	81.5	175.1	-67.7	174.1	-13.4	0	0	110.7
734	S	36.2	Very low	57.1	Low	119 Å²	119	97.8 Å²	97.8	83%	0.832	55%	0.547	S	S	*	.	S	Bend	trans	167.6	117.8	154	179.8	0	0	0	0	110.8	G732	G732-S734 VanDerWaalsContact C-N 3.33Å; G732-S734 PolarHBondContact O-N 2.68Å
735	G	49	Very low	60	Low	64 Å²	64	92.8 Å²	92.8	66%	0.66	51%	0.514	S	S	*	.	S	Bend	trans	88.3	149.5	167.7	0	0	0	0	0	117.5	Q737	G735-Q737 PolarHBondContact O-N 2.96Å
736	N	60.7	Low	62.6	Low	112 Å²	112	86.4 Å²	86.4	60%	0.599	48%	0.482	S	S	*	.	S	Bend	trans	-72	40.2	-172.7	-65.5	-23.9	0	0	0	115.6	S703 N704	S703-N736 PolarHBondContact N-O 3.15Å; S703-N736 PolarHBondContact OG-O 3.19Å; N704-N736 PolarHBondContact ND2-ND2 3.46Å
737	Q	68.4	Low	65.1	Low	110 Å²	110	86.8 Å²	86.8	51%	0.514	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.8	179.2	-65.7	-171.5	45.3	0	0	112.1	G735 S823	G735-Q737 PolarHBondContact O-N 2.96Å; Q737-S823 PolarHBondContact OE1-OG 3.32Å
738	A	79.5	Confident	67.5	Low	45 Å²	45	86.8 Å²	86.8	37%	0.372	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.9	177.1	0	0	0	0	0	110.9	W700 T701	W700-A738 WeakPolarHBondContact CA-O 3.38Å; T701-A738 PolarHBondContact N-O 2.97Å; T701-A738 VanDerWaalsContact N-O 3.09Å; T701-A738 PolarHBondContact O-N 3.35Å
739	K	89.7	Confident	70.1	Confident	68 Å²	68	79.8 Å²	79.8	30%	0.296	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.7	172.2	-172.5	-177.3	179.9	-175.1	0	110.5	E698 W700	E698-K739 WeakPolarHBondContact OE2-CE 3.41Å; E698-K739 IonicContact OE2-NZ 2.75Å; E698-K739 PolarHBondContact OE2-NZ 3.17Å; W700-K739 HydrophobicContact CD2-CG 4.39Å; W700-K739 HydrophobicContact CH2-CD 4.46Å; W700-K739 HydrophobicContact CZ2-CD 3.74Å; W700-K739 HydrophobicContact CZ2-CG 3.96Å
740	C	91.4	Very high	72.4	Confident	21 Å²	21	72.1 Å²	72.1	14%	0.142	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.2	174.4	-69.2	0	0	0	0	110.9	E698 Y699	E698-C740 WeakPolarHBondContact CA-O 3.38Å; Y699-C740 HydrophobicContact CD1-CB 4Å; Y699-C740 HydrophobicContact CD2-CB 4.01Å; Y699-C740 HydrophobicContact CE1-CB 3.51Å; Y699-C740 HydrophobicContact CE2-CB 3.53Å; Y699-C740 HydrophobicContact CG-CB 4.23Å; Y699-C740 PolarHBondContact N-O 2.86Å; Y699-C740 PolarHBondContact O-N 3.03Å
741	T	89.8	Confident	75.1	Confident	40 Å²	40	67 Å²	67	25%	0.245	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.7	178.8	-56.5	0	0	0	0	110.3	I697 E698	I697-T741 CarbonylContact O-C 3.6Å; I697-T741 WeakPolarHBondContact O-CA 3.42Å; E698-T741 HydrophobicContact CG-CG2 3.95Å
742	M	88.7	Confident	77.1	Confident	27 Å²	27	60.7 Å²	60.7	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136	176	-163.3	-175.9	-48.4	0	0	110.4	I697 T744 F746 F777	I697-M742 PolarHBondContact N-O 2.88Å; I697-M742 PolarHBondContact O-N 3Å; M742-T744 HydrophobicContact CG-CG2 4.16Å; M742-T744 HydrophobicContact SD-CG2 3.99Å; M742-F746 HydrophobicContact SD-CE1 4.14Å; M742-F746 HydrophobicContact SD-CZ 3.83Å; M742-F777 HydrophobicContact CE-CE1 4.2Å; M742-F777 HydrophobicContact CE-CZ 3.9Å; M742-F777 HydrophobicContact SD-CE2 4.3Å; M742-F777 HydrophobicContact SD-CZ 4.18Å
743	K	88.5	Confident	79.1	Confident	106 Å²	106	59.2 Å²	59.2	46%	0.461	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	109.8	177.5	-65.7	176.9	-178.4	-170	0	108.2	Q696	Q696-K743 HydrophobicContact CB-CG 4.12Å; Q696-K743 HydrophobicContact CG-CG 4.18Å; Q696-K743 VanDerWaalsContact OE1-NZ 3.12Å
744	T	85.9	Confident	80.7	Confident	32 Å²	32	51.1 Å²	51.1	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165	-175	-172.8	0	0	0	0	110.9	L695 M742 F746 K779	L695-T744 PolarHBondContact N-O 3.39Å; L695-T744 PolarHBondContact O-N 2.82Å; M742-T744 HydrophobicContact CG-CG2 4.16Å; M742-T744 HydrophobicContact SD-CG2 3.99Å; T744-F746 HydrophobicContact CG2-CD1 4.15Å; T744-F746 HydrophobicContact CG2-CD2 3.87Å; T744-F746 HydrophobicContact CG2-CE1 3.62Å; T744-F746 HydrophobicContact CG2-CE2 3.29Å; T744-F746 HydrophobicContact CG2-CG 4.29Å; T744-F746 HydrophobicContact CG2-CZ 3.15Å; T744-F746 WeakPolarHBondContact O-CD2 3.3Å; T744-F746 WeakPolarHBondContact O-CE2 3.44Å; T744-K779 HydrophobicContact CG2-CD 4.46Å; T744-K779 HydrophobicContact CG2-CG 4.04Å
745	A	86	Confident	81.6	Confident	18 Å²	18	49.9 Å²	49.9	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.7	167.2	0	0	0	0	0	110.5	A692 K693 E780	A692-A745 HydrophobicContact CB-CB 4.13Å; K693-A745 CarbonylContact O-C 3.55Å; K693-A745 WeakPolarHBondContact O-CA 3.33Å; A745-E780 HydrophobicContact CB-CB 3.95Å; A745-E780 WeakPolarHBondContact CB-OE2 3.49Å; A745-E780 PolarHBondContact O-N 3Å
746	F	86.1	Confident	81.7	Confident	1 Å²	1	49.1 Å²	49.1	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128	179.3	-64.8	-86.8	0	0	0	110.3	A692 K693 L695 I697 M742 T744 F777	A692-F746 WeakPolarHBondContact CA-O 3.14Å; K693-F746 PolarHBondContact N-O 3.49Å; K693-F746 PolarHBondContact O-N 3.29Å; L695-F746 HydrophobicContact CB-CD2 3.82Å; L695-F746 HydrophobicContact CB-CE2 3.95Å; L695-F746 HydrophobicContact CD1-CB 4.47Å; L695-F746 HydrophobicContact CD1-CD2 3.91Å; L695-F746 HydrophobicContact CG-CD2 4.14Å; I697-F746 HydrophobicContact CD1-CD2 4.43Å; I697-F746 HydrophobicContact CD1-CE1 4.02Å; I697-F746 HydrophobicContact CD1-CE2 3.56Å; I697-F746 HydrophobicContact CD1-CZ 3.3Å; I697-F746 HydrophobicContact CG1-CE2 4.05Å; I697-F746 HydrophobicContact CG1-CZ 4.14Å; M742-F746 HydrophobicContact SD-CE1 4.14Å; M742-F746 HydrophobicContact SD-CZ 3.83Å; T744-F746 HydrophobicContact CG2-CD1 4.15Å; T744-F746 HydrophobicContact CG2-CD2 3.87Å; T744-F746 HydrophobicContact CG2-CE1 3.62Å; T744-F746 HydrophobicContact CG2-CE2 3.29Å; T744-F746 HydrophobicContact CG2-CG 4.29Å; T744-F746 HydrophobicContact CG2-CZ 3.15Å; T744-F746 WeakPolarHBondContact O-CD2 3.3Å; T744-F746 WeakPolarHBondContact O-CE2 3.44Å; F746-F777 HydrophobicContact CD1-CB 3.87Å; F746-F777 AromaticContact CD1-CD2 3.96Å; F746-F777 HydrophobicContact CD1-CD2 3.96Å; F746-F777 HydrophobicContact CD1-CG 4.2Å; F746-F777 HydrophobicContact CE1-CB 3.95Å; F746-F777 AromaticContact CE1-CD2 3.63Å; F746-F777 HydrophobicContact CE1-CD2 3.63Å; F746-F777 HydrophobicContact CE1-CE2 4.3Å; F746-F777 AromaticContact CE1-CG 3.86Å; F746-F777 HydrophobicContact CE1-CG 3.86Å
747	R	85.8	Confident	81.1	Confident	136 Å²	136	48.1 Å²	48.1	51%	0.513	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-36.9	168.8	-172.2	-177.7	175.1	-127.1	-2.3	111.1	T690 V778	T690-R747 WeakPolarHBondContact OG1-CG 3.35Å; T690-R747 PolarHBondContact OG1-NE 2.6Å; R747-V778 HydrophobicContact CB-CG1 4.35Å; R747-V778 PolarHBondContact N-O 3.3Å
748	S	87.9	Confident	80.1	Confident	51 Å²	51	44 Å²	44	36%	0.357	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.7	171.7	66.9	0	0	0	0	110.9	F777 V778	S748-F777 VanDerWaalsContact O-CA 3.3Å; S748-F777 WeakPolarHBondContact O-CA 3.35Å; S748-F777 WeakPolarHBondContact O-CB 3.49Å; S748-V778 PolarHBondContact N-O 2.89Å; S748-V778 PolarHBondContact O-N 2.91Å; S748-V778 WeakPolarHBondContact OG-CB 3.31Å; S748-V778 WeakPolarHBondContact OG-CG2 3.15Å; S748-V778 PolarHBondContact OG-N 2.76Å
749	L	92.2	Very high	78.5	Confident	5 Å²	5	46 Å²	46	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	128.7	174.1	170.6	72	0	0	0	107.4	L621 L695 I697 F775 H776 F777 F825	L621-L749 HydrophobicContact CD1-CB 3.62Å; L621-L749 HydrophobicContact CD1-CD2 4.14Å; L621-L749 HydrophobicContact CD1-CG 4.5Å; L621-L749 HydrophobicContact CG-CB 3.91Å; L621-L749 HydrophobicContact CG-CD2 4.19Å; L621-L749 PolarHBondContact N-O 3.02Å; L695-L749 HydrophobicContact CD1-CD2 4.24Å; I697-L749 HydrophobicContact CD1-CD1 4.02Å; I697-L749 HydrophobicContact CD1-CD2 3.96Å; L749-F775 HydrophobicContact CD1-CB 4.43Å; L749-F775 HydrophobicContact CD1-CD2 3.86Å; L749-F775 HydrophobicContact CD1-CG 4.41Å; L749-H776 WeakPolarHBondContact CA-O 3.39Å; L749-F777 HydrophobicContact CD1-CB 4.11Å; L749-F825 HydrophobicContact CD1-CZ 4.1Å; L749-F825 HydrophobicContact CD2-CZ 4.03Å; L749-F825 HydrophobicContact CG-CZ 4.5Å
750	S	92.7	Very high	76.5	Confident	24 Å²	24	44.3 Å²	44.3	17%	0.168	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.2	175	55.8	0	0	0	0	110.5	V619 F775 H776	V619-S750 CarbonylContact O-C 3.47Å; V619-S750 WeakPolarHBondContact O-CA 3.48Å; S750-F775 CarbonylContact O-C 3.59Å; S750-F775 VanDerWaalsContact O-CA 3.29Å; S750-F775 WeakPolarHBondContact O-CA 3.38Å; S750-H776 PolarHBondContact N-O 3.41Å; S750-H776 PolarHBondContact O-N 3.35Å
751	V	93.5	Very high	74.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.8	171.9	-170.3	0	0	0	0	108.3	S618 V619 L773 A774 F775 F825 I852	S618-V751 CarbonylContact C-O 3.56Å; S618-V751 VanDerWaalsContact CA-O 3.27Å; S618-V751 WeakPolarHBondContact CA-O 3.32Å; S618-V751 WeakPolarHBondContact CB-O 3.33Å; V619-V751 HydrophobicContact CB-CB 4.41Å; V619-V751 PolarHBondContact N-O 3.14Å; V619-V751 PolarHBondContact O-N 3.01Å; V751-L773 HydrophobicContact CG1-CB 4.13Å; V751-L773 HydrophobicContact CG1-CD1 4.42Å; V751-L773 HydrophobicContact CG1-CD2 4.34Å; V751-A774 CarbonylContact C-O 3.48Å; V751-A774 VanDerWaalsContact CA-O 3.31Å; V751-A774 WeakPolarHBondContact CA-O 3.42Å; V751-A774 WeakPolarHBondContact CG1-O 3.33Å; V751-F775 HydrophobicContact CB-CB 4.4Å; V751-F775 HydrophobicContact CG2-CB 3.88Å; V751-F825 HydrophobicContact CG2-CD1 4.06Å; V751-F825 HydrophobicContact CG2-CD2 4.45Å; V751-F825 HydrophobicContact CG2-CE1 3.86Å; V751-F825 HydrophobicContact CG2-CE2 4.26Å; V751-F825 HydrophobicContact CG2-CG 4.35Å; V751-F825 HydrophobicContact CG2-CZ 3.97Å; V751-I852 HydrophobicContact CB-CD1 3.75Å; V751-I852 HydrophobicContact CG1-CD1 3.85Å; V751-I852 HydrophobicContact CG2-CD1 3.76Å
752	T	90.2	Very high	72.7	Confident	29 Å²	29	47.5 Å²	47.5	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.9	-174.8	39	0	0	0	0	108.8	L773 A774 H776	T752-L773 WeakPolarHBondContact O-CA 3.49Å; T752-A774 PolarHBondContact N-O 3.25Å; T752-A774 PolarHBondContact O-N 2.82Å; T752-A774 PolarHBondContact OG1-O 3.08Å; T752-H776 PolarHBondContact OG1-CD2 2.88Å; T752-H776 PolarHBondContact OG1-NE2 3.49Å
753	K	84.1	Confident	70.6	Confident	28 Å²	28	50.4 Å²	50.4	12%	0.122	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.8	162.2	-58.9	-57.6	-162.7	140.3	0	109	V591 S593 V616 A755 L773	V591-K753 WeakPolarHBondContact O-CE 3.21Å; V591-K753 PolarHBondContact O-NZ 3.42Å; S593-K753 WeakPolarHBondContact OG-CE 3.4Å; S593-K753 PolarHBondContact OG-NZ 3.49Å; V616-K753 WeakPolarHBondContact O-CG 3.32Å; K753-A755 PolarHBondContact O-N 2.86Å; K753-L773 HydrophobicContact CD-CD2 4.27Å
754	S	67.9	Low	68.4	Low	35 Å²	35	55.2 Å²	55.2	25%	0.245	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-56.8	139.2	161.4	59.6	0	0	0	0	108.5	P756 L772	S754-P756 VanDerWaalsContact O-N 3.1Å; S754-L772 WeakPolarHBondContact CB-O 3.21Å; S754-L772 PolarHBondContact N-O 3.09Å; S754-L772 PolarHBondContact OG-O 3.04Å
755	A	55.3	Low	66.3	Low	94 Å²	94	58.9 Å²	58.9	78%	0.777	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-50.3	120.4	-175.5	0	0	0	0	0	110.6	K753 N757	K753-A755 PolarHBondContact O-N 2.86Å; A755-N757 PolarHBondContact O-N 3.04Å
756	P	52	Low	64.1	Low	48 Å²	48	59.9 Å²	59.9	31%	0.312	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.6	122.8	179.1	26.9	-32.2	0	0	0	107.9	M543 S754 P758 L761	M543-P756 HydrophobicContact CE-CG 4.06Å; S754-P756 VanDerWaalsContact O-N 3.1Å; P756-P758 WeakPolarHBondContact O-CD 3.45Å; P756-L761 HydrophobicContact CB-CD1 3.71Å
757	N	48.4	Very low	62	Low	90 Å²	90	66.8 Å²	66.8	48%	0.481	39%	0.386	S	S	.	.			trans	-72.9	107.2	162.1	-178.2	-19.4	0	0	0	106.5	A755 V759 V760	A755-N757 PolarHBondContact O-N 3.04Å; N757-V759 PolarHBondContact O-N 3.36Å; N757-V759 VanDerWaalsContact O-N 3.14Å; N757-V759 WeakPolarHBondContact OD1-CB 3.38Å; N757-V759 PolarHBondContact OD1-N 2.77Å; N757-V760 HydrophobicContact CB-CG2 3.86Å; N757-V760 PolarHBondContact O-N 2.9Å
758	P	47	Very low	59.9	Low	24 Å²	24	65.9 Å²	65.9	16%	0.156	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-22.1	-169.9	29.5	-36.7	0	0	0	112.2	P756 V760 L762 L870 T872	P756-P758 WeakPolarHBondContact O-CD 3.45Å; P758-V760 VanDerWaalsContact C-N 3.25Å; P758-V760 PolarHBondContact O-N 3.42Å; P758-L762 WeakPolarHBondContact O-CG 3.47Å; P758-L870 HydrophobicContact CB-CB 4.46Å; P758-L870 HydrophobicContact CB-CD1 3.86Å; P758-T872 HydrophobicContact CG-CG2 3.85Å
759	V	46.7	Very low	58	Low	86 Å²	86	68 Å²	68	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-31.4	176.3	-174.8	0	0	0	0	111.4	N757	N757-V759 PolarHBondContact O-N 3.36Å; N757-V759 VanDerWaalsContact O-N 3.14Å; N757-V759 WeakPolarHBondContact OD1-CB 3.38Å; N757-V759 PolarHBondContact OD1-N 2.77Å
760	V	47.4	Very low	56.2	Low	34 Å²	34	71 Å²	71	21%	0.206	42%	0.419	C	S	.	.	H	α-helix	trans	-87.6	-30.5	-175.2	-153.9	0	0	0	0	111.9	N757 P758 L762 N763 S766 L770	N757-V760 HydrophobicContact CB-CG2 3.86Å; N757-V760 PolarHBondContact O-N 2.9Å; P758-V760 VanDerWaalsContact C-N 3.25Å; P758-V760 PolarHBondContact O-N 3.42Å; V760-L762 VanDerWaalsContact C-N 3.26Å; V760-L762 PolarHBondContact O-N 2.97Å; V760-N763 PolarHBondContact O-N 2.84Å; V760-S766 WeakPolarHBondContact CG1-OG 3.42Å; V760-S766 PolarHBondContact O-OG 3.29Å; V760-L770 HydrophobicContact CB-CD1 4.15Å; V760-L770 HydrophobicContact CB-CD2 3.82Å; V760-L770 HydrophobicContact CG1-CD1 3.45Å; V760-L770 VanDerWaalsContact CG1-CD1 3.45Å; V760-L770 HydrophobicContact CG1-CD2 3.67Å; V760-L770 HydrophobicContact CG1-CG 4.17Å; V760-L770 HydrophobicContact CG2-CD2 4.42Å
761	L	49.6	Very low	54.6	Low	40 Å²	40	70.6 Å²	70.6	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-71.5	-17.3	176	-69.7	179.5	0	0	0	114.3	P589 P756 L770	P589-L761 HydrophobicContact CG-CB 4.21Å; P756-L761 HydrophobicContact CB-CD1 3.71Å; L761-L770 HydrophobicContact CD2-CB 4.43Å
762	L	51.4	Low	53.6	Low	87 Å²	87	71.2 Å²	71.2	46%	0.455	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-11.4	178.3	-65.1	174.8	0	0	0	113.3	L586 P758 V760	L586-L762 HydrophobicContact CD1-CD2 4.41Å; P758-L762 WeakPolarHBondContact O-CG 3.47Å; V760-L762 VanDerWaalsContact C-N 3.26Å; V760-L762 PolarHBondContact O-N 2.97Å
763	N	43.6	Very low	53.5	Low	89 Å²	89	69.9 Å²	69.9	48%	0.476	41%	0.411	S	S	.	.			trans	-95.8	97.7	177.4	-75.2	-10.3	0	0	0	110.3	V760 S765 S766	V760-N763 PolarHBondContact O-N 2.84Å; N763-S765 PolarHBondContact O-N 2.98Å; N763-S766 PolarHBondContact O-N 2.98Å; N763-S766 PolarHBondContact O-OG 3.38Å; N763-S766 VanDerWaalsContact O-OG 3.08Å
764	E	43.7	Very low	53.7	Low	207 Å²	207	68.7 Å²	68.7	97%	0.967	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-15	178.6	-61.7	-168.9	152.7	0	0	114.3
765	S	41.3	Very low	54.8	Low	109 Å²	109	67 Å²	67	76%	0.762	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	1.1	-178.6	49.7	0	0	0	0	115.4	N763	N763-S765 PolarHBondContact O-N 2.98Å
766	S	38.9	Very low	56.5	Low	39 Å²	39	65.2 Å²	65.2	27%	0.273	37%	0.37	S	S	.	.			trans	-100.5	107.2	-176.9	64.7	0	0	0	0	113.6	V760 N763 L768	V760-S766 WeakPolarHBondContact CG1-OG 3.42Å; V760-S766 PolarHBondContact O-OG 3.29Å; N763-S766 PolarHBondContact O-N 2.98Å; N763-S766 PolarHBondContact O-OG 3.38Å; N763-S766 VanDerWaalsContact O-OG 3.08Å; S766-L768 PolarHBondContact O-N 2.98Å
767	T	42.4	Very low	58.4	Low	145 Å²	145	63.2 Å²	63.2	89%	0.89	36%	0.357	S	S	*	.			trans	-81.6	12.8	-179.3	51.3	0	0	0	0	114.6
768	L	41.8	Very low	60.3	Low	118 Å²	118	59.7 Å²	59.7	62%	0.618	34%	0.338	S	S	*	.	S	Bend	trans	-73.6	145.9	-178.3	-65.7	176.3	0	0	0	111.2	S766 L770	S766-L768 PolarHBondContact O-N 2.98Å; L768-L770 HydrophobicContact CB-CD1 4.25Å; L768-L770 HydrophobicContact CB-CG 4.11Å; L768-L770 WeakPolarHBondContact O-CG 3.47Å; L768-L770 PolarHBondContact O-N 2.84Å
769	P	47.8	Very low	62.1	Low	94 Å²	94	61.5 Å²	61.5	61%	0.61	34%	0.344	S	S	*	.			trans	-75	73.9	-179	31.5	-35.7	0	0	0	111.6	S771	P769-S771 PolarHBondContact O-N 3.48Å
770	L	54.2	Low	63.5	Low	69 Å²	69	62.1 Å²	62.1	36%	0.361	34%	0.341	S	S	.	.			trans	-76.7	16.7	-167.3	-77.7	153.8	0	0	0	116.2	V760 L761 L768	V760-L770 HydrophobicContact CB-CD1 4.15Å; V760-L770 HydrophobicContact CB-CD2 3.82Å; V760-L770 HydrophobicContact CG1-CD1 3.45Å; V760-L770 VanDerWaalsContact CG1-CD1 3.45Å; V760-L770 HydrophobicContact CG1-CD2 3.67Å; V760-L770 HydrophobicContact CG1-CG 4.17Å; V760-L770 HydrophobicContact CG2-CD2 4.42Å; L761-L770 HydrophobicContact CD2-CB 4.43Å; L768-L770 HydrophobicContact CB-CD1 4.25Å; L768-L770 HydrophobicContact CB-CG 4.11Å; L768-L770 WeakPolarHBondContact O-CG 3.47Å; L768-L770 PolarHBondContact O-N 2.84Å
771	S	58.6	Low	64.3	Low	16 Å²	16	68 Å²	68	11%	0.112	36%	0.359	C	S	.	.			trans	-131.7	91	173.3	-177.4	0	0	0	0	108.8	V591 P769 A854	V591-S771 WeakPolarHBondContact CG1-OG 3.43Å; P769-S771 PolarHBondContact O-N 3.48Å; S771-A854 VanDerWaalsContact O-CB 3.31Å; S771-A854 WeakPolarHBondContact O-CB 3.34Å; S771-A854 PolarHBondContact OG-O 2.76Å
772	L	72.8	Confident	64.7	Low	15 Å²	15	74.4 Å²	74.4	8%	0.079	39%	0.386	C	S	.	.			trans	-109.8	155.9	167.4	-65.5	170.6	0	0	0	108.9	L705 S754	L705-L772 HydrophobicContact CD1-CD1 3.69Å; L705-L772 HydrophobicContact CG-CD1 4.45Å; S754-L772 WeakPolarHBondContact CB-O 3.21Å; S754-L772 PolarHBondContact N-O 3.09Å; S754-L772 PolarHBondContact OG-O 3.04Å
773	L	88.2	Confident	64.6	Low	1 Å²	1	78.3 Å²	78.3	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.8	177.1	-60.4	167.7	0	0	0	108.9	F615 V751 T752 K753 G821 I822 I852 A854	F615-L773 HydrophobicContact CZ-CD2 4.34Å; V751-L773 HydrophobicContact CG1-CB 4.13Å; V751-L773 HydrophobicContact CG1-CD1 4.42Å; V751-L773 HydrophobicContact CG1-CD2 4.34Å; T752-L773 WeakPolarHBondContact O-CA 3.49Å; K753-L773 HydrophobicContact CD-CD2 4.27Å; L773-G821 PolarHBondContact O-N 3Å; L773-I822 HydrophobicContact CB-CB 4.11Å; L773-I822 HydrophobicContact CB-CG2 4.44Å; L773-I822 PolarHBondContact N-O 2.78Å; L773-I822 WeakPolarHBondContact O-CB 3.35Å; L773-I822 PolarHBondContact O-N 3.36Å; L773-I852 HydrophobicContact CD1-CB 4.2Å; L773-I852 HydrophobicContact CD1-CG2 3.53Å; L773-I852 HydrophobicContact CD2-CG2 4.39Å; L773-A854 HydrophobicContact CD1-CB 4.19Å; L773-A854 HydrophobicContact CG-CB 4.01Å
774	A	89.3	Confident	64.7	Low	2 Å²	2	80 Å²	80	2%	0.017	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.3	162.4	0	0	0	0	0	108.2	V751 T752 V819 D820	V751-A774 CarbonylContact C-O 3.48Å; V751-A774 VanDerWaalsContact CA-O 3.31Å; V751-A774 WeakPolarHBondContact CA-O 3.42Å; V751-A774 WeakPolarHBondContact CG1-O 3.33Å; T752-A774 PolarHBondContact N-O 3.25Å; T752-A774 PolarHBondContact O-N 2.82Å; T752-A774 PolarHBondContact OG1-O 3.08Å; A774-V819 CarbonylContact C-O 3.51Å; A774-V819 VanDerWaalsContact CA-O 3.29Å; A774-V819 WeakPolarHBondContact CA-O 3.19Å; A774-D820 WeakPolarHBondContact CB-OD1 3.47Å
775	F	91.3	Very high	64.7	Low	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.2	159.9	74.5	-99.6	0	0	0	112.4	Y699 L749 S750 V751 F777 T818 V819 I822 F825	Y699-F775 HydrophobicContact CD1-CE1 4.01Å; Y699-F775 HydrophobicContact CD1-CZ 4.12Å; Y699-F775 HydrophobicContact CD2-CE1 4.2Å; Y699-F775 HydrophobicContact CE1-CE1 4.32Å; Y699-F775 HydrophobicContact CE1-CZ 4.07Å; Y699-F775 HydrophobicContact CE2-CE1 4.5Å; Y699-F775 AromaticContact CG-CE1 3.94Å; Y699-F775 HydrophobicContact CG-CE1 3.94Å; Y699-F775 HydrophobicContact CG-CZ 4.49Å; L749-F775 HydrophobicContact CD1-CB 4.43Å; L749-F775 HydrophobicContact CD1-CD2 3.86Å; L749-F775 HydrophobicContact CD1-CG 4.41Å; S750-F775 CarbonylContact O-C 3.59Å; S750-F775 VanDerWaalsContact O-CA 3.29Å; S750-F775 WeakPolarHBondContact O-CA 3.38Å; V751-F775 HydrophobicContact CB-CB 4.4Å; V751-F775 HydrophobicContact CG2-CB 3.88Å; F775-F777 AromaticContact CD2-CD1 3.61Å; F775-F777 HydrophobicContact CD2-CD1 3.61Å; F775-F777 HydrophobicContact CD2-CE1 4.25Å; F775-F777 HydrophobicContact CD2-CG 4.49Å; F775-F777 AromaticContact CE2-CD1 3.38Å; F775-F777 HydrophobicContact CE2-CD1 3.38Å; F775-F777 AromaticContact CE2-CE1 3.61Å; F775-F777 HydrophobicContact CE2-CE1 3.61Å; F775-F777 HydrophobicContact CE2-CG 4.35Å; F775-T818 CarbonylContact O-C 3.57Å; F775-T818 WeakPolarHBondContact O-CA 3.41Å; F775-V819 HydrophobicContact CD1-CB 4.25Å; F775-V819 HydrophobicContact CE1-CB 3.86Å; F775-V819 HydrophobicContact CE1-CG1 4.25Å; F775-V819 HydrophobicContact CE1-CG2 4.19Å; F775-V819 HydrophobicContact CE2-CB 4.36Å; F775-V819 HydrophobicContact CE2-CG2 4.01Å; F775-V819 HydrophobicContact CZ-CB 3.91Å; F775-V819 HydrophobicContact CZ-CG2 3.71Å; F775-V819 PolarHBondContact N-O 3.18Å; F775-V819 PolarHBondContact O-N 2.94Å; F775-I822 HydrophobicContact CD1-CD1 3.15Å; F775-I822 HydrophobicContact CE1-CD1 3.35Å; F775-I822 HydrophobicContact CG-CD1 4.31Å; F775-F825 HydrophobicContact CB-CE2 4.25Å; F775-F825 AromaticContact CD1-CD2 3.54Å; F775-F825 HydrophobicContact CD1-CD2 3.54Å; F775-F825 AromaticContact CD1-CE2 3.43Å; F775-F825 HydrophobicContact CD1-CE2 3.43Å; F775-F825 VanDerWaalsContact CD1-CE2 3.43Å; F775-F825 HydrophobicContact CD2-CE2 4.25Å; F775-F825 AromaticContact CE1-CD2 3.89Å; F775-F825 HydrophobicContact CE1-CD2 3.89Å; F775-F825 AromaticContact CE1-CE2 3.76Å; F775-F825 HydrophobicContact CE1-CE2 3.76Å; F775-F825 HydrophobicContact CE2-CE2 4.5Å; F775-F825 HydrophobicContact CG-CD2 4.23Å; F775-F825 AromaticContact CG-CE2 3.75Å; F775-F825 HydrophobicContact CG-CE2 3.75Å; F775-F825 HydrophobicContact CZ-CE2 4.3Å
776	H	90.6	Very high	64.7	Low	56 Å²	56	75.6 Å²	75.6	26%	0.259	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	176	-44.8	-81.7	0	0	0	108.9	L749 S750 T752 T816 H817 T818	L749-H776 WeakPolarHBondContact CA-O 3.39Å; S750-H776 PolarHBondContact N-O 3.41Å; S750-H776 PolarHBondContact O-N 3.35Å; T752-H776 PolarHBondContact OG1-CD2 2.88Å; T752-H776 PolarHBondContact OG1-NE2 3.49Å; H776-T816 HydrophobicContact CB-CG2 4.44Å; H776-H817 CarbonylContact C-O 3.32Å; H776-H817 VanDerWaalsContact CA-O 3.23Å; H776-H817 WeakPolarHBondContact CA-O 3.34Å; H776-T818 VanDerWaalsContact CE1-CG2 3.48Å; H776-T818 WeakPolarHBondContact CE1-CG2 3.29Å; H776-T818 WeakPolarHBondContact ND1-CG2 2.9Å; H776-T818 PolarHBondContact ND1-OG1 3.11Å
777	F	91	Very high	64.8	Low	7 Å²	7	83 Å²	83	3%	0.031	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.3	-177.9	68.9	-88.4	0	0	0	113.5	M742 F746 S748 L749 F775 K779 H817 V819	M742-F777 HydrophobicContact CE-CE1 4.2Å; M742-F777 HydrophobicContact CE-CZ 3.9Å; M742-F777 HydrophobicContact SD-CE2 4.3Å; M742-F777 HydrophobicContact SD-CZ 4.18Å; F746-F777 HydrophobicContact CD1-CB 3.87Å; F746-F777 AromaticContact CD1-CD2 3.96Å; F746-F777 HydrophobicContact CD1-CD2 3.96Å; F746-F777 HydrophobicContact CD1-CG 4.2Å; F746-F777 HydrophobicContact CE1-CB 3.95Å; F746-F777 AromaticContact CE1-CD2 3.63Å; F746-F777 HydrophobicContact CE1-CD2 3.63Å; F746-F777 HydrophobicContact CE1-CE2 4.3Å; F746-F777 AromaticContact CE1-CG 3.86Å; F746-F777 HydrophobicContact CE1-CG 3.86Å; S748-F777 VanDerWaalsContact O-CA 3.3Å; S748-F777 WeakPolarHBondContact O-CA 3.35Å; S748-F777 WeakPolarHBondContact O-CB 3.49Å; L749-F777 HydrophobicContact CD1-CB 4.11Å; F775-F777 AromaticContact CD2-CD1 3.61Å; F775-F777 HydrophobicContact CD2-CD1 3.61Å; F775-F777 HydrophobicContact CD2-CE1 4.25Å; F775-F777 HydrophobicContact CD2-CG 4.49Å; F775-F777 AromaticContact CE2-CD1 3.38Å; F775-F777 HydrophobicContact CE2-CD1 3.38Å; F775-F777 AromaticContact CE2-CE1 3.61Å; F775-F777 HydrophobicContact CE2-CE1 3.61Å; F775-F777 HydrophobicContact CE2-CG 4.35Å; F777-K779 HydrophobicContact CD2-CG 3.99Å; F777-K779 HydrophobicContact CE2-CD 3.89Å; F777-K779 HydrophobicContact CE2-CG 3.82Å; F777-H817 HydrophobicContact CD1-CB 3.87Å; F777-H817 HydrophobicContact CD2-CB 4.08Å; F777-H817 HydrophobicContact CE1-CB 3.4Å; F777-H817 VanDerWaalsContact CE1-CB 3.4Å; F777-H817 HydrophobicContact CE2-CB 3.59Å; F777-H817 AromaticContact CE2-CD2 3.45Å; F777-H817 VanDerWaalsContact CE2-CD2 3.45Å; F777-H817 WeakPolarHBondContact CE2-CD2 3.24Å; F777-H817 AromaticContact CE2-CG 3.75Å; F777-H817 HydrophobicContact CG-CB 4.23Å; F777-H817 HydrophobicContact CZ-CB 3.26Å; F777-H817 AromaticContact CZ-CD2 3.9Å; F777-H817 AromaticContact CZ-CG 3.71Å; F777-H817 PolarHBondContact N-O 3.21Å; F777-H817 PolarHBondContact O-N 3.38Å; F777-V819 HydrophobicContact CE1-CG2 4.15Å
778	V	87.9	Confident	64.8	Low	15 Å²	15	83 Å²	83	9%	0.091	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.7	169	179.8	0	0	0	0	108	R747 S748 P814 T816	R747-V778 HydrophobicContact CB-CG1 4.35Å; R747-V778 PolarHBondContact N-O 3.3Å; S748-V778 PolarHBondContact N-O 2.89Å; S748-V778 PolarHBondContact O-N 2.91Å; S748-V778 WeakPolarHBondContact OG-CB 3.31Å; S748-V778 WeakPolarHBondContact OG-CG2 3.15Å; S748-V778 PolarHBondContact OG-N 2.76Å; V778-P814 HydrophobicContact CG1-CB 4.28Å; V778-T816 HydrophobicContact CG2-CG2 4.41Å; V778-T816 WeakPolarHBondContact CG2-OG1 3.32Å
779	K	85	Confident	65	Low	63 Å²	63	80.9 Å²	80.9	27%	0.274	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	146	174.5	-80.2	168.1	174.7	164.6	0	110.5	T744 F777	T744-K779 HydrophobicContact CG2-CD 4.46Å; T744-K779 HydrophobicContact CG2-CG 4.04Å; F777-K779 HydrophobicContact CD2-CG 3.99Å; F777-K779 HydrophobicContact CE2-CD 3.89Å; F777-K779 HydrophobicContact CE2-CG 3.82Å
780	E	75.7	Confident	64.7	Low	99 Å²	99	83.5 Å²	83.5	46%	0.463	41%	0.407	S	S	.	.			trans	-71.5	133.9	163.4	-172.3	-172.3	-150.1	0	0	109.9	A692 A745 K782	A692-E780 HydrophobicContact CB-CB 3.61Å; A692-E780 HydrophobicContact CB-CG 3.83Å; A692-E780 WeakPolarHBondContact CB-OE2 3.08Å; A745-E780 HydrophobicContact CB-CB 3.95Å; A745-E780 WeakPolarHBondContact CB-OE2 3.49Å; A745-E780 PolarHBondContact O-N 3Å; E780-K782 PolarHBondContact O-N 3.02Å
781	R	64.1	Low	64.4	Low	156 Å²	156	87.9 Å²	87.9	59%	0.589	42%	0.423	S	S	*	.			trans	-84	110.3	167.6	-77.4	-178.4	173.2	165.5	-8.6	109.2	K783 N812	R781-K783 PolarHBondContact O-N 2.83Å; R781-N812 PolarHBondContact NH1-OD1 3.41Å
782	K	58.4	Low	64.2	Low	176 Å²	176	89.2 Å²	89.2	77%	0.765	43%	0.43	S	S	*	.			trans	-56.8	110.3	161.5	-77	-172.2	175	-176.7	0	108.5	E780 D784	E780-K782 PolarHBondContact O-N 3.02Å; K782-D784 PolarHBondContact O-N 2.83Å
783	K	49.1	Very low	63.5	Low	168 Å²	168	97.5 Å²	97.5	73%	0.73	46%	0.46	S	S	*	.			trans	-80.3	101.4	173.7	-161.5	170.6	-177.8	168.7	0	106.5	R781 K785	R781-K783 PolarHBondContact O-N 2.83Å; K783-K785 HydrophobicContact CG-CG 4.19Å; K783-K785 PolarHBondContact O-N 3.06Å
784	D	45.8	Very low	62	Low	126 Å²	126	104.9 Å²	104.9	67%	0.674	50%	0.495	S	S	*	.			trans	-67.7	63.1	-178	-79.9	-34.1	0	0	0	113.2	K782 G786	K782-D784 PolarHBondContact O-N 2.83Å; D784-G786 PolarHBondContact O-N 3.29Å; D784-G786 VanDerWaalsContact O-N 3.13Å
785	K	45.2	Very low	60.7	Low	155 Å²	155	107.7 Å²	107.7	67%	0.674	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	4.2	174.6	-77.2	-179.6	162.9	-175.1	0	113.7	K783 T789	K783-K785 HydrophobicContact CG-CG 4.19Å; K783-K785 PolarHBondContact O-N 3.06Å; K785-T789 VanDerWaalsContact C-OG1 3.3Å; K785-T789 PolarHBondContact O-OG1 3.5Å
786	G	41.3	Very low	59.1	Low	68 Å²	68	110 Å²	110	70%	0.701	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-34.6	-175.1	0	0	0	0	0	115.6	D784	D784-G786 PolarHBondContact O-N 3.29Å; D784-G786 VanDerWaalsContact O-N 3.13Å
787	K	40.1	Very low	57.7	Low	195 Å²	195	111.3 Å²	111.3	85%	0.848	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-28.3	-175.6	-81.3	-172.9	173.6	-177.8	0	114.9
788	F	42.5	Very low	56.2	Low	144 Å²	144	116.4 Å²	116.4	63%	0.632	57%	0.567	S	S	*	*	H	α-helix	trans	-76.3	-30.8	176.8	-156.7	-127.7	0	0	0	111.9	L790 F791 T792	F788-L790 PolarHBondContact O-N 3.03Å; F788-F791 PolarHBondContact O-N 2.87Å; F788-T792 HydrophobicContact CD1-CG2 3.49Å; F788-T792 VanDerWaalsContact CD1-CG2 3.49Å; F788-T792 HydrophobicContact CD2-CG2 4.22Å; F788-T792 HydrophobicContact CE1-CG2 3.21Å; F788-T792 HydrophobicContact CE2-CG2 3.95Å; F788-T792 HydrophobicContact CG-CG2 4.01Å; F788-T792 HydrophobicContact CZ-CG2 3.45Å; F788-T792 VanDerWaalsContact CZ-CG2 3.45Å; F788-T792 WeakPolarHBondContact O-CB 3.23Å; F788-T792 PolarHBondContact O-N 3.48Å; F788-T792 PolarHBondContact O-OG1 2.96Å
789	T	45.3	Very low	54.9	Low	73 Å²	73	119.5 Å²	119.5	45%	0.448	58%	0.582	S	S	.	*	H	α-helix	trans	-72.1	-21.2	-166.4	-40.8	0	0	0	0	114.9	K785 R793	K785-T789 VanDerWaalsContact C-OG1 3.3Å; K785-T789 PolarHBondContact O-OG1 3.5Å; T789-R793 WeakPolarHBondContact O-CB 3.32Å
790	L	41.8	Very low	53.8	Low	150 Å²	150	124.2 Å²	124.2	79%	0.785	61%	0.605	S	S	*	*	H	α-helix	trans	-83.6	-36.2	174.3	-116.2	161.9	0	0	0	111.9	F788	F788-L790 PolarHBondContact O-N 3.03Å
791	F	47.9	Very low	53.2	Low	160 Å²	160	128.2 Å²	128.2	70%	0.702	62%	0.621	S	S	*	*	H	α-helix	trans	-79.7	-40	177.5	-149.8	-99.4	0	0	0	112	F788 R793 V795	F788-F791 PolarHBondContact O-N 2.87Å; F791-R793 VanDerWaalsContact C-N 3.35Å; F791-R793 PolarHBondContact O-N 3.4Å; F791-V795 HydrophobicContact CD1-CG2 4.03Å; F791-V795 HydrophobicContact CE1-CG2 4.05Å; F791-V795 WeakPolarHBondContact O-CG2 3.3Å; F791-V795 PolarHBondContact O-N 3.04Å; F791-V795 VanDerWaalsContact O-N 3.11Å
792	T	55.1	Low	52.8	Low	44 Å²	44	126.2 Å²	126.2	27%	0.27	62%	0.621	S	S	.	*	H	α-helix	trans	-71.8	-20.9	177.3	41.5	0	0	0	0	114.5	F788 A796	F788-T792 HydrophobicContact CD1-CG2 3.49Å; F788-T792 VanDerWaalsContact CD1-CG2 3.49Å; F788-T792 HydrophobicContact CD2-CG2 4.22Å; F788-T792 HydrophobicContact CE1-CG2 3.21Å; F788-T792 HydrophobicContact CE2-CG2 3.95Å; F788-T792 HydrophobicContact CG-CG2 4.01Å; F788-T792 HydrophobicContact CZ-CG2 3.45Å; F788-T792 VanDerWaalsContact CZ-CG2 3.45Å; F788-T792 WeakPolarHBondContact O-CB 3.23Å; F788-T792 PolarHBondContact O-N 3.48Å; F788-T792 PolarHBondContact O-OG1 2.96Å; T792-A796 WeakPolarHBondContact O-CA 3.44Å; T792-A796 WeakPolarHBondContact O-CB 3.27Å; T792-A796 PolarHBondContact O-N 2.87Å
793	R	57.5	Low	52.4	Low	189 Å²	189	121.1 Å²	121.1	71%	0.713	62%	0.618	S	S	*	*	H	α-helix	trans	-69.9	-44.5	176.9	-156.8	167.2	-175.8	160.5	-0	111.4	T789 F791 D797	T789-R793 WeakPolarHBondContact O-CB 3.32Å; F791-R793 VanDerWaalsContact C-N 3.35Å; F791-R793 PolarHBondContact O-N 3.4Å; R793-D797 PolarHBondContact O-N 2.95Å; R793-D797 VanDerWaalsContact O-N 3.08Å
794	H	58.2	Low	52.9	Low	157 Å²	157	119.3 Å²	119.3	73%	0.727	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-42.7	171.6	-102.6	-175.6	0	0	0	113	L798	H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.32Å; H794-L798 VanDerWaalsContact O-N 3.09Å
795	V	61.2	Low	52.8	Low	60 Å²	60	123.1 Å²	123.1	36%	0.364	63%	0.625	S	S	.	*	H	α-helix	trans	-72.1	-32.4	-179.7	176	0	0	0	0	112.1	F791 L798 L799	F791-V795 HydrophobicContact CD1-CG2 4.03Å; F791-V795 HydrophobicContact CE1-CG2 4.05Å; F791-V795 WeakPolarHBondContact O-CG2 3.3Å; F791-V795 PolarHBondContact O-N 3.04Å; F791-V795 VanDerWaalsContact O-N 3.11Å; V795-L798 PolarHBondContact O-N 3.24Å; V795-L799 HydrophobicContact CG1-CD1 3.79Å; V795-L799 HydrophobicContact CG1-CG 4.3Å; V795-L799 WeakPolarHBondContact O-CB 3.5Å; V795-L799 VanDerWaalsContact O-CG 3.26Å; V795-L799 WeakPolarHBondContact O-CG 3.43Å; V795-L799 PolarHBondContact O-N 2.7Å
796	A	57.7	Low	52.8	Low	48 Å²	48	121.8 Å²	121.8	40%	0.397	63%	0.625	S	S	.	*	H	α-helix	trans	-71.7	-40.5	174.7	0	0	0	0	0	112.2	T792 L798 L799 Q800	T792-A796 WeakPolarHBondContact O-CA 3.44Å; T792-A796 WeakPolarHBondContact O-CB 3.27Å; T792-A796 PolarHBondContact O-N 2.87Å; A796-L798 PolarHBondContact O-N 3.13Å; A796-L799 PolarHBondContact O-N 3.26Å; A796-Q800 VanDerWaalsContact O-CB 3.24Å; A796-Q800 WeakPolarHBondContact O-CB 3.4Å; A796-Q800 PolarHBondContact O-N 3.17Å
797	D	60.1	Low	52.6	Low	85 Å²	85	128.2 Å²	128.2	46%	0.455	63%	0.633	S	S	.	*	H	α-helix	trans	-63	-33.3	172.7	-77.8	-11.2	0	0	0	111.5	R793 K801	R793-D797 PolarHBondContact O-N 2.95Å; R793-D797 VanDerWaalsContact O-N 3.08Å; D797-K801 WeakPolarHBondContact O-CG 3.24Å; D797-K801 PolarHBondContact O-N 3.47Å
798	L	59.6	Low	52.8	Low	114 Å²	114	125.6 Å²	125.6	60%	0.597	63%	0.629	S	S	*	*	H	α-helix	trans	-70.8	-45	173.7	-140.7	82.5	0	0	0	112.1	H794 V795 A796 K801 L802	H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.32Å; H794-L798 VanDerWaalsContact O-N 3.09Å; V795-L798 PolarHBondContact O-N 3.24Å; A796-L798 PolarHBondContact O-N 3.13Å; L798-K801 PolarHBondContact O-N 3.06Å; L798-L802 WeakPolarHBondContact O-CG 3.3Å; L798-L802 PolarHBondContact O-N 2.98Å
799	L	60.5	Low	52.5	Low	80 Å²	80	128.7 Å²	128.7	42%	0.419	64%	0.642	S	S	.	*	H	α-helix	trans	-69.3	-33.2	179	-74.6	168.6	0	0	0	112.6	V795 A796 K801 L802 G803	V795-L799 HydrophobicContact CG1-CD1 3.79Å; V795-L799 HydrophobicContact CG1-CG 4.3Å; V795-L799 WeakPolarHBondContact O-CB 3.5Å; V795-L799 VanDerWaalsContact O-CG 3.26Å; V795-L799 WeakPolarHBondContact O-CG 3.43Å; V795-L799 PolarHBondContact O-N 2.7Å; A796-L799 PolarHBondContact O-N 3.26Å; L799-K801 VanDerWaalsContact C-N 3.28Å; L799-K801 PolarHBondContact O-N 3.03Å; L799-L802 PolarHBondContact O-N 3.26Å; L799-L802 VanDerWaalsContact O-N 3.1Å; L799-G803 PolarHBondContact O-N 3Å
800	Q	62.2	Low	52.2	Low	162 Å²	162	133.4 Å²	133.4	76%	0.757	66%	0.664	S	S	*	*	H	α-helix	trans	-67.5	-29.6	173.9	-169.4	169.6	10.6	0	0	111.7	A796	A796-Q800 VanDerWaalsContact O-CB 3.24Å; A796-Q800 WeakPolarHBondContact O-CB 3.4Å; A796-Q800 PolarHBondContact O-N 3.17Å
801	K	63.1	Low	51.9	Low	183 Å²	183	133.6 Å²	133.6	80%	0.796	66%	0.66	S	S	*	*	H	α-helix	trans	-77.9	-14.1	170.4	-74	176.2	178.5	177.2	0	114.3	D797 L798 L799	D797-K801 WeakPolarHBondContact O-CG 3.24Å; D797-K801 PolarHBondContact O-N 3.47Å; L798-K801 PolarHBondContact O-N 3.06Å; L799-K801 VanDerWaalsContact C-N 3.28Å; L799-K801 PolarHBondContact O-N 3.03Å
802	L	56.9	Low	51.7	Low	114 Å²	114	132.5 Å²	132.5	60%	0.597	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	2.6	-177.8	-74.1	167.5	0	0	0	114.5	L798 L799 M804	L798-L802 WeakPolarHBondContact O-CG 3.3Å; L798-L802 PolarHBondContact O-N 2.98Å; L799-L802 PolarHBondContact O-N 3.26Å; L799-L802 VanDerWaalsContact O-N 3.1Å; L802-M804 PolarHBondContact O-N 3.24Å; L802-M804 VanDerWaalsContact O-N 3.08Å
803	G	49.2	Very low	51.4	Low	68 Å²	68	137.9 Å²	137.9	70%	0.701	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.7	7.6	168.1	0	0	0	0	0	116.5	L799 K805	L799-G803 PolarHBondContact O-N 3Å; G803-K805 PolarHBondContact O-N 3.42Å
804	M	59.6	Low	51.5	Low	130 Å²	130	132.1 Å²	132.1	64%	0.64	67%	0.671	S	S	*	*			trans	-82	98.5	-176.3	-63.9	-174.6	75.2	0	0	111.8	L802 N806	L802-M804 PolarHBondContact O-N 3.24Å; L802-M804 VanDerWaalsContact O-N 3.08Å; M804-N806 PolarHBondContact O-N 3.39Å; M804-N806 VanDerWaalsContact O-N 3.09Å
805	K	43	Very low	52	Low	207 Å²	207	131.8 Å²	131.8	90%	0.9	66%	0.663	S	S	*	*			trans	-81.8	79.7	-177.5	-164.9	177.2	-175.2	178.1	0	111.8	G803	G803-K805 PolarHBondContact O-N 3.42Å
806	N	45.8	Very low	52.9	Low	126 Å²	126	133.2 Å²	133.2	67%	0.674	67%	0.673	S	S	*	*			trans	-65	140.5	179.9	-78.7	0.1	0	0	0	113.3	M804	M804-N806 PolarHBondContact O-N 3.39Å; M804-N806 VanDerWaalsContact O-N 3.09Å
807	K	38.1	Very low	54.3	Low	203 Å²	203	134.7 Å²	134.7	88%	0.883	67%	0.671	S	S	*	*			trans	-106.8	54.4	-169.3	-169.5	-169.5	169.9	-177.5	0	111.4
808	D	42.4	Very low	55.5	Low	140 Å²	140	133.9 Å²	133.9	75%	0.749	67%	0.67	S	S	*	*			trans	-119.5	87	-178.4	-66.7	-54.8	0	0	0	111.7
809	K	37.8	Very low	56.8	Low	209 Å²	209	130 Å²	130	91%	0.909	65%	0.65	S	S	*	*			trans	-144	27.6	177.8	-94.5	-160.5	177.4	-173.6	0	114.4
810	L	37.6	Very low	58.1	Low	173 Å²	173	130.2 Å²	130.2	91%	0.906	65%	0.652	S	S	*	*			trans	-138.4	50.7	-174.5	-155.5	79.9	0	0	0	115
811	E	35.5	Very low	59.1	Low	153 Å²	153	123 Å²	123	72%	0.715	62%	0.621	S	S	*	*			trans	-160.4	99.1	157.3	-124.2	-164.6	-115.7	0	0	110.6	R815	E811-R815 IonicContact OE2-NH2 3.49Å; E811-R815 PolarHBondContact OE2-NH2 3.29Å
812	N	44.1	Very low	60.2	Low	137 Å²	137	114.3 Å²	114.3	73%	0.733	58%	0.583	S	S	*	*			trans	-155.3	31.1	176.5	-109.7	-29.7	0	0	0	115.5	R781	R781-N812 PolarHBondContact NH1-OD1 3.41Å
813	E	48.8	Very low	61.6	Low	157 Å²	157	110.1 Å²	110.1	73%	0.734	56%	0.563	S	S	*	*			trans	-64.7	141.1	169.2	-89.4	-72.2	127.2	0	0	112	R815	E813-R815 PolarHBondContact O-N 3.01Å
814	P	59.6	Low	63.5	Low	69 Å²	69	111.6 Å²	111.6	45%	0.448	55%	0.548	S	S	.	.			trans	-73.1	94.9	175	30.3	-34.2	0	0	0	111.2	V778 T816	V778-P814 HydrophobicContact CG1-CB 4.28Å; P814-T816 PolarHBondContact O-N 3.45Å; P814-T816 VanDerWaalsContact O-N 3.16Å
815	R	70.2	Confident	65.1	Low	149 Å²	149	105.4 Å²	105.4	56%	0.562	52%	0.517	S	S	*	.			trans	-56.6	119.6	178.9	-63.8	-175	-175.9	171.3	1.9	111.3	E811 E813	E811-R815 IonicContact OE2-NH2 3.49Å; E811-R815 PolarHBondContact OE2-NH2 3.29Å; E813-R815 PolarHBondContact O-N 3.01Å
816	T	78.7	Confident	67.5	Low	91 Å²	91	96.8 Å²	96.8	56%	0.558	48%	0.48	S	S	*	.			trans	-83.6	138.9	169.8	-60.9	0	0	0	0	109.2	H776 V778 P814	H776-T816 HydrophobicContact CB-CG2 4.44Å; V778-T816 HydrophobicContact CG2-CG2 4.41Å; V778-T816 WeakPolarHBondContact CG2-OG1 3.32Å; P814-T816 PolarHBondContact O-N 3.45Å; P814-T816 VanDerWaalsContact O-N 3.16Å
817	H	86.8	Confident	69.8	Low	78 Å²	78	90.8 Å²	90.8	36%	0.361	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.5	176.2	-63.4	-79.9	0	0	0	110.2	H776 F777	H776-H817 CarbonylContact C-O 3.32Å; H776-H817 VanDerWaalsContact CA-O 3.23Å; H776-H817 WeakPolarHBondContact CA-O 3.34Å; F777-H817 HydrophobicContact CD1-CB 3.87Å; F777-H817 HydrophobicContact CD2-CB 4.08Å; F777-H817 HydrophobicContact CE1-CB 3.4Å; F777-H817 VanDerWaalsContact CE1-CB 3.4Å; F777-H817 HydrophobicContact CE2-CB 3.59Å; F777-H817 AromaticContact CE2-CD2 3.45Å; F777-H817 VanDerWaalsContact CE2-CD2 3.45Å; F777-H817 WeakPolarHBondContact CE2-CD2 3.24Å; F777-H817 AromaticContact CE2-CG 3.75Å; F777-H817 HydrophobicContact CG-CB 4.23Å; F777-H817 HydrophobicContact CZ-CB 3.26Å; F777-H817 AromaticContact CZ-CD2 3.9Å; F777-H817 AromaticContact CZ-CG 3.71Å; F777-H817 PolarHBondContact N-O 3.21Å; F777-H817 PolarHBondContact O-N 3.38Å
818	T	86	Confident	72.3	Confident	69 Å²	69	82.5 Å²	82.5	42%	0.423	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.5	174.8	-57.5	0	0	0	0	109.7	F775 H776 D820	F775-T818 CarbonylContact O-C 3.57Å; F775-T818 WeakPolarHBondContact O-CA 3.41Å; H776-T818 VanDerWaalsContact CE1-CG2 3.48Å; H776-T818 WeakPolarHBondContact CE1-CG2 3.29Å; H776-T818 WeakPolarHBondContact ND1-CG2 2.9Å; H776-T818 PolarHBondContact ND1-OG1 3.11Å; T818-D820 WeakPolarHBondContact CG2-OD2 3.31Å
819	V	88	Confident	74.3	Confident	31 Å²	31	76.7 Å²	76.7	19%	0.188	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	116.9	166.4	-173.5	0	0	0	0	108.2	Y699 A774 F775 F777 I822	Y699-V819 HydrophobicContact CD2-CG1 4.42Å; Y699-V819 HydrophobicContact CE2-CG1 3.81Å; A774-V819 CarbonylContact C-O 3.51Å; A774-V819 VanDerWaalsContact CA-O 3.29Å; A774-V819 WeakPolarHBondContact CA-O 3.19Å; F775-V819 HydrophobicContact CD1-CB 4.25Å; F775-V819 HydrophobicContact CE1-CB 3.86Å; F775-V819 HydrophobicContact CE1-CG1 4.25Å; F775-V819 HydrophobicContact CE1-CG2 4.19Å; F775-V819 HydrophobicContact CE2-CB 4.36Å; F775-V819 HydrophobicContact CE2-CG2 4.01Å; F775-V819 HydrophobicContact CZ-CB 3.91Å; F775-V819 HydrophobicContact CZ-CG2 3.71Å; F775-V819 PolarHBondContact N-O 3.18Å; F775-V819 PolarHBondContact O-N 2.94Å; F777-V819 HydrophobicContact CE1-CG2 4.15Å; V819-I822 HydrophobicContact CB-CD1 4.12Å; V819-I822 HydrophobicContact CG1-CD1 3.86Å; V819-I822 HydrophobicContact CG1-CG1 4.28Å; V819-I822 WeakPolarHBondContact O-CD1 3.29Å
820	D	86	Confident	76.1	Confident	86 Å²	86	71.4 Å²	71.4	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	171.9	179.9	-59.8	-67	0	0	0	112	A774 T818	A774-D820 WeakPolarHBondContact CB-OD1 3.47Å; T818-D820 WeakPolarHBondContact CG2-OD2 3.31Å
821	G	83.5	Confident	77.5	Confident	10 Å²	10	71.6 Å²	71.6	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.7	27.8	169.8	0	0	0	0	0	115.2	S702 L773	S702-G821 PolarHBondContact N-O 2.98Å; L773-G821 PolarHBondContact O-N 3Å
822	I	87	Confident	79.1	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.7	-169.3	-60.7	169.8	0	0	0	111.7	Y699 W700 T701 L773 F775 V819 R824 F825	Y699-I822 HydrophobicContact CD2-CD1 4.22Å; Y699-I822 HydrophobicContact CD2-CG1 4.29Å; W700-I822 WeakPolarHBondContact O-CA 3.43Å; T701-I822 HydrophobicContact CG2-CG1 4.22Å; L773-I822 HydrophobicContact CB-CB 4.11Å; L773-I822 HydrophobicContact CB-CG2 4.44Å; L773-I822 PolarHBondContact N-O 2.78Å; L773-I822 WeakPolarHBondContact O-CB 3.35Å; L773-I822 PolarHBondContact O-N 3.36Å; F775-I822 HydrophobicContact CD1-CD1 3.15Å; F775-I822 HydrophobicContact CE1-CD1 3.35Å; F775-I822 HydrophobicContact CG-CD1 4.31Å; V819-I822 HydrophobicContact CB-CD1 4.12Å; V819-I822 HydrophobicContact CG1-CD1 3.86Å; V819-I822 HydrophobicContact CG1-CG1 4.28Å; V819-I822 WeakPolarHBondContact O-CD1 3.29Å; I822-R824 WeakPolarHBondContact CG2-O 3.39Å; I822-F825 HydrophobicContact CG2-CB 4.3Å
823	S	85.2	Confident	80.7	Confident	25 Å²	25	66.2 Å²	66.2	18%	0.175	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-38	176.9	61.1	0	0	0	0	112.6	W700 Q737 A854	W700-S823 WeakPolarHBondContact CB-OG 3.36Å; W700-S823 PolarHBondContact O-N 3.48Å; W700-S823 PolarHBondContact O-OG 2.92Å; Q737-S823 PolarHBondContact OE1-OG 3.32Å; S823-A854 WeakPolarHBondContact O-CB 3.38Å; S823-A854 PolarHBondContact O-N 2.97Å
824	R	88.9	Confident	82.2	Confident	100 Å²	100	64.2 Å²	64.2	38%	0.377	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.3	-176.9	-176	179.3	-175.4	178.5	0.7	110.2	Y699 W700 I822	Y699-R824 VanDerWaalsContact CA-O 3.3Å; Y699-R824 WeakPolarHBondContact CA-O 3.4Å; W700-R824 HydrophobicContact CB-CB 4.4Å; W700-R824 HydrophobicContact CD2-CB 4.32Å; W700-R824 HydrophobicContact CE3-CB 3.78Å; W700-R824 HydrophobicContact CE3-CG 3.81Å; W700-R824 HydrophobicContact CZ3-CB 4.49Å; W700-R824 HydrophobicContact CZ3-CG 4.02Å; W700-R824 PolarHBondContact N-O 2.95Å; I822-R824 WeakPolarHBondContact CG2-O 3.39Å
825	F	93.7	Very high	83.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.3	177.8	178.1	-85.8	0	0	0	109.4	I697 L749 V751 F775 I822 C827 F850 Q851 I852	I697-F825 HydrophobicContact CD1-CE2 4.25Å; I697-F825 HydrophobicContact CD1-CZ 3.94Å; I697-F825 HydrophobicContact CG1-CZ 4.28Å; I697-F825 HydrophobicContact CG2-CD2 3.99Å; I697-F825 HydrophobicContact CG2-CE2 3.36Å; I697-F825 HydrophobicContact CG2-CZ 3.7Å; L749-F825 HydrophobicContact CD1-CZ 4.1Å; L749-F825 HydrophobicContact CD2-CZ 4.03Å; L749-F825 HydrophobicContact CG-CZ 4.5Å; V751-F825 HydrophobicContact CG2-CD1 4.06Å; V751-F825 HydrophobicContact CG2-CD2 4.45Å; V751-F825 HydrophobicContact CG2-CE1 3.86Å; V751-F825 HydrophobicContact CG2-CE2 4.26Å; V751-F825 HydrophobicContact CG2-CG 4.35Å; V751-F825 HydrophobicContact CG2-CZ 3.97Å; F775-F825 HydrophobicContact CB-CE2 4.25Å; F775-F825 AromaticContact CD1-CD2 3.54Å; F775-F825 HydrophobicContact CD1-CD2 3.54Å; F775-F825 AromaticContact CD1-CE2 3.43Å; F775-F825 HydrophobicContact CD1-CE2 3.43Å; F775-F825 VanDerWaalsContact CD1-CE2 3.43Å; F775-F825 HydrophobicContact CD2-CE2 4.25Å; F775-F825 AromaticContact CE1-CD2 3.89Å; F775-F825 HydrophobicContact CE1-CD2 3.89Å; F775-F825 AromaticContact CE1-CE2 3.76Å; F775-F825 HydrophobicContact CE1-CE2 3.76Å; F775-F825 HydrophobicContact CE2-CE2 4.5Å; F775-F825 HydrophobicContact CG-CD2 4.23Å; F775-F825 AromaticContact CG-CE2 3.75Å; F775-F825 HydrophobicContact CG-CE2 3.75Å; F775-F825 HydrophobicContact CZ-CE2 4.3Å; I822-F825 HydrophobicContact CG2-CB 4.3Å; F825-C827 HydrophobicContact CD1-CB 4.5Å; F825-C827 HydrophobicContact CE1-CB 3.65Å; F825-C827 HydrophobicContact CZ-CB 4.2Å; F825-F850 HydrophobicContact CD1-CE2 4.12Å; F825-F850 AromaticContact CE1-CE2 3.7Å; F825-F850 HydrophobicContact CE1-CE2 3.7Å; F825-F850 AromaticContact CE1-CZ 3.95Å; F825-F850 HydrophobicContact CE1-CZ 3.95Å; F825-Q851 CarbonylContact O-C 3.58Å; F825-Q851 WeakPolarHBondContact O-CA 3.15Å; F825-I852 HydrophobicContact CB-CB 4.3Å; F825-I852 HydrophobicContact CD1-CD1 4.15Å; F825-I852 HydrophobicContact CD1-CG1 4.28Å; F825-I852 PolarHBondContact N-O 3.11Å; F825-I852 PolarHBondContact O-N 2.84Å
826	I	94.6	Very high	84.6	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.128	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	176.6	-64.9	177.6	0	0	0	107.3	I697 E698 W700 F849 Q851	I697-I826 CarbonylContact C-O 3.57Å; I697-I826 VanDerWaalsContact CA-O 3.25Å; I697-I826 WeakPolarHBondContact CA-O 3.47Å; E698-I826 HydrophobicContact CB-CB 4.32Å; E698-I826 PolarHBondContact N-O 2.68Å; E698-I826 PolarHBondContact O-N 3.07Å; W700-I826 HydrophobicContact CH2-CD1 3.75Å; W700-I826 HydrophobicContact CZ3-CD1 3.71Å; W700-I826 HydrophobicContact CZ3-CG1 4.02Å; I826-F849 HydrophobicContact CG2-CD2 4.13Å; I826-F849 HydrophobicContact CG2-CE2 3.98Å; I826-Q851 HydrophobicContact CG1-CB 4.13Å; I826-Q851 HydrophobicContact CG1-CG 3.97Å
827	C	93.8	Very high	85.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.1	174.3	179.7	0	0	0	0	110	I697 F825 F849 F850	I697-C827 HydrophobicContact CG1-CB 4.42Å; F825-C827 HydrophobicContact CD1-CB 4.5Å; F825-C827 HydrophobicContact CE1-CB 3.65Å; F825-C827 HydrophobicContact CZ-CB 4.2Å; C827-F849 WeakPolarHBondContact O-CA 3.38Å; C827-F850 HydrophobicContact CB-CD1 3.93Å; C827-F850 HydrophobicContact CB-CD2 4.47Å; C827-F850 HydrophobicContact CB-CE1 3.4Å; C827-F850 VanDerWaalsContact CB-CE1 3.4Å; C827-F850 HydrophobicContact CB-CE2 4.01Å; C827-F850 HydrophobicContact CB-CG 4.45Å; C827-F850 HydrophobicContact CB-CZ 3.46Å; C827-F850 VanDerWaalsContact CB-CZ 3.46Å; C827-F850 PolarHBondContact N-O 2.76Å; C827-F850 PolarHBondContact O-N 3.44Å; C827-F850 VanDerWaalsContact SG-CE1 3.58Å
828	S	90	Very high	85.7	Confident	29 Å²	29	52.1 Å²	52.1	20%	0.203	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.5	-179	53.5	0	0	0	0	109.7	L695 Q696	L695-S828 WeakPolarHBondContact CA-O 3.32Å; Q696-S828 WeakPolarHBondContact CB-OG 3.33Å; Q696-S828 PolarHBondContact N-O 2.86Å; Q696-S828 PolarHBondContact O-N 2.96Å; Q696-S828 PolarHBondContact O-OG 3.34Å
829	T	84.8	Confident	86.2	Confident	19 Å²	19	48.9 Å²	48.9	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148.8	172.8	53.3	0	0	0	0	110.8	L695 S833 I835 K848	L695-T829 HydrophobicContact CD2-CG2 3.95Å; T829-S833 WeakPolarHBondContact CB-OG 3.43Å; T829-S833 PolarHBondContact OG1-O 2.92Å; T829-S833 VanDerWaalsContact OG1-O 3.12Å; T829-I835 HydrophobicContact CG2-CB 4.32Å; T829-I835 HydrophobicContact CG2-CD1 4.03Å; T829-I835 HydrophobicContact CG2-CG1 3.88Å; T829-I835 HydrophobicContact CG2-CG2 3.66Å; T829-K848 WeakPolarHBondContact CG2-O 3.37Å; T829-K848 PolarHBondContact N-O 3.46Å; T829-K848 PolarHBondContact OG1-O 3.21Å
830	R	74.7	Confident	86.5	Confident	98 Å²	98	47.4 Å²	47.4	37%	0.37	23%	0.227	S	C	.	.	S	Bend	trans	-87.3	146.5	165.3	-78.8	-176.2	148.6	-153.7	-13.9	110.4	E694 S833	E694-R830 PolarHBondContact O-N 3.18Å; E694-R830 WeakPolarHBondContact OE1-CD 3.43Å; E694-R830 IonicContact OE1-CZ 3.8Å; E694-R830 IonicContact OE1-NE 2.74Å; E694-R830 IonicContact OE1-NH1 3.47Å; E694-R830 PolarHBondContact OE1-NH1 2.76Å; R830-S833 PolarHBondContact O-OG 2.89Å
831	Q	68.2	Low	86.8	Confident	176 Å²	176	44.7 Å²	44.7	82%	0.822	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-172.5	-173.7	-54	172.8	-6.2	0	0	111.6	S833	Q831-S833 PolarHBondContact O-N 2.87Å
832	N	68.1	Low	87.3	Confident	123 Å²	123	45.2 Å²	45.2	66%	0.658	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	28.9	-178.6	-152.9	19	0	0	0	112.7
833	S	77.1	Confident	87.6	Confident	54 Å²	54	48 Å²	48	38%	0.378	23%	0.234	S	C	.	.			trans	-77.8	158.5	-177.6	69.4	0	0	0	0	111	T829 R830 Q831	T829-S833 WeakPolarHBondContact CB-OG 3.43Å; T829-S833 PolarHBondContact OG1-O 2.92Å; T829-S833 VanDerWaalsContact OG1-O 3.12Å; R830-S833 PolarHBondContact O-OG 2.89Å; Q831-S833 PolarHBondContact O-N 2.87Å
834	R	82.2	Confident	87.9	Confident	116 Å²	116	48.2 Å²	48.2	44%	0.438	23%	0.23	S	C	.	.			trans	-123.5	150.3	-176.9	-55.6	-178.8	-162.6	167.9	3.6	109.8	N846	R834-N846 WeakPolarHBondContact CD-OD1 3.47Å; R834-N846 PolarHBondContact NH1-OD1 3.44Å
835	I	88.6	Confident	88	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.6	174.1	52.1	178.1	0	0	0	111.1	L621 K693 L695 T829 L837 V847 F850	L621-I835 HydrophobicContact CD2-CB 4.41Å; L621-I835 HydrophobicContact CD2-CD1 3.91Å; K693-I835 HydrophobicContact CD-CG2 3.5Å; L695-I835 HydrophobicContact CD2-CD1 4.47Å; L695-I835 HydrophobicContact CD2-CG2 4.25Å; T829-I835 HydrophobicContact CG2-CB 4.32Å; T829-I835 HydrophobicContact CG2-CD1 4.03Å; T829-I835 HydrophobicContact CG2-CG1 3.88Å; T829-I835 HydrophobicContact CG2-CG2 3.66Å; I835-L837 HydrophobicContact CD1-CD2 4.02Å; I835-L837 HydrophobicContact CG1-CD2 4.43Å; I835-V847 HydrophobicContact CG1-CB 4.16Å; I835-V847 HydrophobicContact CG1-CG1 4.43Å; I835-V847 VanDerWaalsContact CG1-O 3.28Å; I835-V847 WeakPolarHBondContact CG1-O 3.23Å; I835-V847 PolarHBondContact N-O 3.23Å; I835-V847 WeakPolarHBondContact O-CB 3.46Å; I835-V847 PolarHBondContact O-N 2.97Å; I835-F850 HydrophobicContact CD1-CD1 3.9Å; I835-F850 HydrophobicContact CD1-CE1 3.69Å
836	N	91.2	Very high	87.7	Confident	18 Å²	18	50.5 Å²	50.5	10%	0.096	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.9	166.5	-61	-8.8	0	0	0	107.3	A622 W844 K845 N846	A622-N836 HydrophobicContact CB-CB 3.82Å; A622-N836 PolarHBondContact N-O 3.04Å; N836-W844 CarbonylContact C-O 3.56Å; N836-W844 WeakPolarHBondContact CA-O 3.34Å; N836-K845 WeakPolarHBondContact OD1-CA 3.41Å; N836-N846 PolarHBondContact OD1-N 2.82Å
837	L	93.6	Very high	87.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	153	174.3	-57.4	-178.6	0	0	0	109.6	I597 K620 L621 I835 I839 E843 W844 V847 F850	I597-L837 HydrophobicContact CG2-CD1 3.98Å; K620-L837 CarbonylContact O-C 3.55Å; K620-L837 WeakPolarHBondContact O-CA 3.24Å; L621-L837 HydrophobicContact CD2-CD2 3.8Å; I835-L837 HydrophobicContact CD1-CD2 4.02Å; I835-L837 HydrophobicContact CG1-CD2 4.43Å; L837-I839 HydrophobicContact CB-CG1 4.47Å; L837-E843 CarbonylContact O-C 3.55Å; L837-E843 WeakPolarHBondContact O-CA 3.44Å; L837-W844 HydrophobicContact CB-CB 4.36Å; L837-W844 PolarHBondContact N-O 2.82Å; L837-W844 PolarHBondContact O-N 2.79Å; L837-V847 HydrophobicContact CD1-CB 4.4Å; L837-V847 HydrophobicContact CD1-CG1 4.01Å; L837-V847 HydrophobicContact CD1-CG2 4.14Å; L837-V847 HydrophobicContact CG-CB 4.38Å; L837-V847 HydrophobicContact CG-CG1 4.46Å; L837-V847 HydrophobicContact CG-CG2 4.16Å; L837-F850 HydrophobicContact CD1-CB 3.88Å; L837-F850 HydrophobicContact CD1-CD1 3.63Å; L837-F850 HydrophobicContact CD1-CD2 4.2Å; L837-F850 HydrophobicContact CD1-CE1 4.14Å; L837-F850 HydrophobicContact CD1-CG 3.65Å; L837-F850 HydrophobicContact CD2-CD1 3.86Å; L837-F850 HydrophobicContact CD2-CE1 3.55Å; L837-F850 HydrophobicContact CD2-CZ 4.03Å; L837-F850 HydrophobicContact CG-CD1 4.33Å; L837-F850 HydrophobicContact CG-CE1 4.47Å
838	R	94.9	Very high	87.2	Confident	113 Å²	113	53.3 Å²	53.3	43%	0.426	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.2	161.3	-81.3	172.4	-170.8	-175.6	2.4	109	V619 K620 A622 V842 E843	V619-R838 CarbonylContact C-O 3.56Å; V619-R838 WeakPolarHBondContact CA-O 3.39Å; K620-R838 PolarHBondContact N-O 3.11Å; K620-R838 PolarHBondContact O-N 3.14Å; A622-R838 HydrophobicContact CB-CG 4.07Å; R838-V842 CarbonylContact C-O 3.55Å; R838-V842 VanDerWaalsContact CA-O 3.26Å; R838-V842 WeakPolarHBondContact CA-O 3.36Å; R838-E843 HydrophobicContact CG-CB 4Å; R838-E843 HydrophobicContact CG-CG 4.24Å; R838-E843 IonicContact CZ-OE2 2.63Å; R838-E843 VanDerWaalsContact CZ-OE2 3.22Å; R838-E843 IonicContact NE-OE2 2.97Å; R838-E843 PolarHBondContact NE-OE2 2.7Å; R838-E843 IonicContact NH2-OE2 2.6Å; R838-E843 PolarHBondContact NH2-OE2 3.16Å
839	I	96	Very high	87.2	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.2	-179.6	-58.4	178.2	0	0	0	106.8	V595 I597 V613 F615 V619 L837 G841 V842 W844	V595-I839 HydrophobicContact CB-CD1 3.87Å; V595-I839 HydrophobicContact CG1-CD1 3.91Å; V595-I839 HydrophobicContact CG2-CD1 3.89Å; V595-I839 HydrophobicContact CG2-CG1 4.33Å; V595-I839 HydrophobicContact CG2-CG2 4.19Å; I597-I839 HydrophobicContact CG2-CD1 4.24Å; V613-I839 HydrophobicContact CB-CD1 4.25Å; V613-I839 HydrophobicContact CG1-CD1 4.24Å; V613-I839 HydrophobicContact CG1-CG2 3.98Å; V613-I839 HydrophobicContact CG2-CD1 4.45Å; F615-I839 HydrophobicContact CB-CG2 3.58Å; F615-I839 HydrophobicContact CG-CG2 4.21Å; V619-I839 HydrophobicContact CG1-CG1 4.16Å; V619-I839 HydrophobicContact CG2-CG1 4.37Å; V619-I839 HydrophobicContact CG2-CG2 4.38Å; L837-I839 HydrophobicContact CB-CG1 4.47Å; I839-G841 PolarHBondContact O-N 3.21Å; I839-G841 VanDerWaalsContact O-N 3.14Å; I839-V842 PolarHBondContact N-O 3.33Å; I839-V842 PolarHBondContact O-N 3.24Å; I839-W844 HydrophobicContact CD1-CG 4.29Å
840	D	94.9	Very high	87.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	40.5	-172.5	-72.7	-4.2	0	0	0	113.5	D499 I535 F615 V616 V617 S618 V842	D499-D840 WeakPolarHBondContact CB-O 3.28Å; I535-D840 WeakPolarHBondContact CG2-O 3.41Å; F615-D840 VanDerWaalsContact CA-OD2 3.27Å; F615-D840 WeakPolarHBondContact CA-OD2 3.25Å; F615-D840 WeakPolarHBondContact CB-OD2 3.47Å; V616-D840 PolarHBondContact N-OD2 3.37Å; V617-D840 VanDerWaalsContact CA-OD1 3.32Å; V617-D840 WeakPolarHBondContact CA-OD1 3.41Å; V617-D840 WeakPolarHBondContact CB-OD1 3.38Å; V617-D840 PolarHBondContact N-OD1 3.43Å; V617-D840 PolarHBondContact N-OD2 3.3Å; S618-D840 PolarHBondContact N-OD1 3.34Å; S618-D840 PolarHBondContact O-N 3.4Å; D840-V842 VanDerWaalsContact C-N 3.33Å; D840-V842 PolarHBondContact O-N 3.25Å
841	G	92	Very high	88.6	Confident	29 Å²	29	49.8 Å²	49.8	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-27.3	-179.8	0	0	0	0	0	114.3	I839	I839-G841 PolarHBondContact O-N 3.21Å; I839-G841 VanDerWaalsContact O-N 3.14Å
842	V	93.9	Very high	89.9	Confident	21 Å²	21	41.4 Å²	41.4	13%	0.127	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.6	-177.5	-174.9	0	0	0	0	111.6	E500 R838 I839 D840 W844	E500-V842 HydrophobicContact CB-CG2 4.17Å; E500-V842 HydrophobicContact CG-CG2 4.5Å; R838-V842 CarbonylContact C-O 3.55Å; R838-V842 VanDerWaalsContact CA-O 3.26Å; R838-V842 WeakPolarHBondContact CA-O 3.36Å; I839-V842 PolarHBondContact N-O 3.33Å; I839-V842 PolarHBondContact O-N 3.24Å; D840-V842 VanDerWaalsContact C-N 3.33Å; D840-V842 PolarHBondContact O-N 3.25Å; V842-W844 VanDerWaalsContact O-CD1 3.32Å
843	E	93.1	Very high	91	Very high	60 Å²	60	36.8 Å²	36.8	28%	0.28	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135.8	-178.6	-168.8	166.5	132.5	0	0	113.3	L837 R838 K845	L837-E843 CarbonylContact O-C 3.55Å; L837-E843 WeakPolarHBondContact O-CA 3.44Å; R838-E843 HydrophobicContact CG-CB 4Å; R838-E843 HydrophobicContact CG-CG 4.24Å; R838-E843 IonicContact CZ-OE2 2.63Å; R838-E843 VanDerWaalsContact CZ-OE2 3.22Å; R838-E843 IonicContact NE-OE2 2.97Å; R838-E843 PolarHBondContact NE-OE2 2.7Å; R838-E843 IonicContact NH2-OE2 2.6Å; R838-E843 PolarHBondContact NH2-OE2 3.16Å; E843-K845 HydrophobicContact CG-CG 4.36Å; E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.72Å
844	W	92.4	Very high	91.6	Very high	29 Å²	29	34.7 Å²	34.7	11%	0.11	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.4	177.3	-66.4	88.8	0	0	0	108.9	R507 I597 L599 Q611 V613 N836 L837 I839 V842 V847	R507-W844 VanDerWaalsContact NH1-CZ2 3.27Å; I597-W844 HydrophobicContact CD1-CD2 3.68Å; I597-W844 HydrophobicContact CD1-CE3 3.31Å; I597-W844 HydrophobicContact CD1-CG 4.27Å; I597-W844 HydrophobicContact CD1-CH2 4.19Å; I597-W844 HydrophobicContact CD1-CZ3 3.62Å; L599-W844 HydrophobicContact CD1-CE3 4.42Å; L599-W844 HydrophobicContact CD1-CZ3 4.44Å; Q611-W844 HydrophobicContact CG-CH2 4.45Å; V613-W844 HydrophobicContact CB-CZ2 4.26Å; V613-W844 HydrophobicContact CG1-CZ2 3.78Å; V613-W844 HydrophobicContact CG2-CH2 3.75Å; V613-W844 HydrophobicContact CG2-CZ2 3.4Å; N836-W844 CarbonylContact C-O 3.56Å; N836-W844 WeakPolarHBondContact CA-O 3.34Å; L837-W844 HydrophobicContact CB-CB 4.36Å; L837-W844 PolarHBondContact N-O 2.82Å; L837-W844 PolarHBondContact O-N 2.79Å; I839-W844 HydrophobicContact CD1-CG 4.29Å; V842-W844 VanDerWaalsContact O-CD1 3.32Å; W844-V847 HydrophobicContact CB-CG2 4.16Å
845	K	89.8	Confident	91.9	Very high	112 Å²	112	33 Å²	33	49%	0.487	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	165.6	-177.7	-58.5	-174.8	177.3	-176.4	0	111.4	L599 N836 E843 V847	L599-K845 WeakPolarHBondContact CD2-O 3.45Å; N836-K845 WeakPolarHBondContact OD1-CA 3.41Å; E843-K845 HydrophobicContact CG-CG 4.36Å; E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.72Å; K845-V847 VanDerWaalsContact C-N 3.26Å; K845-V847 PolarHBondContact O-N 2.86Å; K845-V847 VanDerWaalsContact O-N 3.17Å
846	N	87.1	Confident	92.1	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59	25	172.5	-69.2	-46	0	0	0	116.2	E602 R834 N836	E602-N846 PolarHBondContact OE1-ND2 3.21Å; R834-N846 WeakPolarHBondContact CD-OD1 3.47Å; R834-N846 PolarHBondContact NH1-OD1 3.44Å; N836-N846 PolarHBondContact OD1-N 2.82Å
847	V	90	Very high	92	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	177.4	-178.1	0	0	0	0	109.8	I597 L599 I835 L837 W844 K845 F849 F850	I597-V847 HydrophobicContact CB-CG1 4.31Å; I597-V847 HydrophobicContact CB-CG2 4.46Å; I597-V847 HydrophobicContact CG2-CG1 4.41Å; I597-V847 HydrophobicContact CG2-CG2 4.49Å; L599-V847 HydrophobicContact CD2-CG2 3.7Å; I835-V847 HydrophobicContact CG1-CB 4.16Å; I835-V847 HydrophobicContact CG1-CG1 4.43Å; I835-V847 VanDerWaalsContact CG1-O 3.28Å; I835-V847 WeakPolarHBondContact CG1-O 3.23Å; I835-V847 PolarHBondContact N-O 3.23Å; I835-V847 WeakPolarHBondContact O-CB 3.46Å; I835-V847 PolarHBondContact O-N 2.97Å; L837-V847 HydrophobicContact CD1-CB 4.4Å; L837-V847 HydrophobicContact CD1-CG1 4.01Å; L837-V847 HydrophobicContact CD1-CG2 4.14Å; L837-V847 HydrophobicContact CG-CB 4.38Å; L837-V847 HydrophobicContact CG-CG1 4.46Å; L837-V847 HydrophobicContact CG-CG2 4.16Å; W844-V847 HydrophobicContact CB-CG2 4.16Å; K845-V847 VanDerWaalsContact C-N 3.26Å; K845-V847 PolarHBondContact O-N 2.86Å; K845-V847 VanDerWaalsContact O-N 3.17Å; V847-F849 VanDerWaalsContact CG1-O 3.26Å; V847-F849 WeakPolarHBondContact CG1-O 3.48Å; V847-F850 HydrophobicContact CG1-CB 4.33Å
848	K	87.6	Confident	92	Very high	84 Å²	84	41.8 Å²	41.8	37%	0.365	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-41.8	176.7	-177.3	179.5	178.6	-179.1	0	112.2	H598 L608 T829	H598-K848 PolarHBondContact O-N 3.02Å; L608-K848 HydrophobicContact CD1-CD 4.45Å; L608-K848 HydrophobicContact CD2-CD 4.31Å; T829-K848 WeakPolarHBondContact CG2-O 3.37Å; T829-K848 PolarHBondContact N-O 3.46Å; T829-K848 PolarHBondContact OG1-O 3.21Å
849	F	90.5	Very high	91.9	Very high	45 Å²	45	38.9 Å²	38.9	20%	0.197	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.9	178	124.8	-97.8	0	0	0	108.8	M596 H598 I826 C827 V847 Q851	M596-F849 HydrophobicContact CE-CE1 4.49Å; M596-F849 HydrophobicContact CE-CZ 3.92Å; M596-F849 HydrophobicContact SD-CE1 3.71Å; M596-F849 HydrophobicContact SD-CZ 3.59Å; M596-F849 VanDerWaalsContact SD-CZ 3.59Å; H598-F849 HydrophobicContact CB-CD1 3.69Å; H598-F849 HydrophobicContact CB-CE1 4.21Å; H598-F849 AromaticContact CD2-CE1 3.64Å; H598-F849 AromaticContact CE1-CE1 3.72Å; H598-F849 AromaticContact CG-CD1 3.46Å; H598-F849 VanDerWaalsContact CG-CD1 3.46Å; H598-F849 AromaticContact CG-CE1 3.54Å; H598-F849 PolarHBondContact N-O 3.08Å; H598-F849 AromaticContact ND1-CD1 3.53Å; H598-F849 AromaticContact ND1-CE1 3.59Å; H598-F849 AromaticContact NE2-CE1 3.75Å; I826-F849 HydrophobicContact CG2-CD2 4.13Å; I826-F849 HydrophobicContact CG2-CE2 3.98Å; C827-F849 WeakPolarHBondContact O-CA 3.38Å; V847-F849 VanDerWaalsContact CG1-O 3.26Å; V847-F849 WeakPolarHBondContact CG1-O 3.48Å; F849-Q851 HydrophobicContact CE2-CB 3.91Å; F849-Q851 HydrophobicContact CZ-CB 4.17Å
850	F	94.8	Very high	91.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.2	168.2	67.6	-81.9	0	0	0	112.3	V595 M596 I597 V619 F825 C827 I835 L837 V847 I852	V595-F850 HydrophobicContact CG1-CB 4.14Å; V595-F850 HydrophobicContact CG1-CD2 4.27Å; M596-F850 CarbonylContact O-C 3.53Å; M596-F850 WeakPolarHBondContact O-CA 3.13Å; M596-F850 WeakPolarHBondContact O-CB 3.34Å; I597-F850 HydrophobicContact CG2-CB 4.07Å; V619-F850 HydrophobicContact CG1-CE2 4.27Å; F825-F850 HydrophobicContact CD1-CE2 4.12Å; F825-F850 AromaticContact CE1-CE2 3.7Å; F825-F850 HydrophobicContact CE1-CE2 3.7Å; F825-F850 AromaticContact CE1-CZ 3.95Å; F825-F850 HydrophobicContact CE1-CZ 3.95Å; C827-F850 HydrophobicContact CB-CD1 3.93Å; C827-F850 HydrophobicContact CB-CD2 4.47Å; C827-F850 HydrophobicContact CB-CE1 3.4Å; C827-F850 VanDerWaalsContact CB-CE1 3.4Å; C827-F850 HydrophobicContact CB-CE2 4.01Å; C827-F850 HydrophobicContact CB-CG 4.45Å; C827-F850 HydrophobicContact CB-CZ 3.46Å; C827-F850 VanDerWaalsContact CB-CZ 3.46Å; C827-F850 PolarHBondContact N-O 2.76Å; C827-F850 PolarHBondContact O-N 3.44Å; C827-F850 VanDerWaalsContact SG-CE1 3.58Å; I835-F850 HydrophobicContact CD1-CD1 3.9Å; I835-F850 HydrophobicContact CD1-CE1 3.69Å; L837-F850 HydrophobicContact CD1-CB 3.88Å; L837-F850 HydrophobicContact CD1-CD1 3.63Å; L837-F850 HydrophobicContact CD1-CD2 4.2Å; L837-F850 HydrophobicContact CD1-CE1 4.14Å; L837-F850 HydrophobicContact CD1-CG 3.65Å; L837-F850 HydrophobicContact CD2-CD1 3.86Å; L837-F850 HydrophobicContact CD2-CE1 3.55Å; L837-F850 HydrophobicContact CD2-CZ 4.03Å; L837-F850 HydrophobicContact CG-CD1 4.33Å; L837-F850 HydrophobicContact CG-CE1 4.47Å; V847-F850 HydrophobicContact CG1-CB 4.33Å; F850-I852 HydrophobicContact CD2-CD1 4.13Å; F850-I852 HydrophobicContact CD2-CG1 3.89Å; F850-I852 HydrophobicContact CE2-CD1 3.85Å; F850-I852 HydrophobicContact CE2-CG1 4.09Å
851	Q	95.3	Very high	91.7	Very high	24 Å²	24	41.8 Å²	41.8	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.2	169.3	170	177.3	-49.9	0	0	108.9	V595 M596 F825 I826 F849	V595-Q851 CarbonylContact C-O 3.52Å; V595-Q851 WeakPolarHBondContact CA-O 3.47Å; M596-Q851 HydrophobicContact CB-CB 4.4Å; M596-Q851 HydrophobicContact CE-CB 4.24Å; M596-Q851 PolarHBondContact N-O 2.71Å; M596-Q851 PolarHBondContact O-N 3.3Å; F825-Q851 CarbonylContact O-C 3.58Å; F825-Q851 WeakPolarHBondContact O-CA 3.15Å; I826-Q851 HydrophobicContact CG1-CB 4.13Å; I826-Q851 HydrophobicContact CG1-CG 3.97Å; F849-Q851 HydrophobicContact CE2-CB 3.91Å; F849-Q851 HydrophobicContact CZ-CB 4.17Å
852	I	95.3	Very high	91.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	171.8	-51.9	-177.9	0	0	0	109.1	E594 V595 F615 V619 V751 L773 F825 F850	E594-I852 CarbonylContact O-C 3.57Å; E594-I852 VanDerWaalsContact O-CA 3.29Å; E594-I852 WeakPolarHBondContact O-CA 3.45Å; E594-I852 WeakPolarHBondContact O-CG2 3.44Å; V595-I852 HydrophobicContact CG1-CG1 4.28Å; V595-I852 HydrophobicContact CG2-CG1 4.24Å; F615-I852 HydrophobicContact CE1-CG2 3.65Å; F615-I852 HydrophobicContact CZ-CG2 3.63Å; V619-I852 HydrophobicContact CB-CD1 3.83Å; V619-I852 HydrophobicContact CG1-CD1 4.01Å; V619-I852 HydrophobicContact CG2-CD1 3.82Å; V751-I852 HydrophobicContact CB-CD1 3.75Å; V751-I852 HydrophobicContact CG1-CD1 3.85Å; V751-I852 HydrophobicContact CG2-CD1 3.76Å; L773-I852 HydrophobicContact CD1-CB 4.2Å; L773-I852 HydrophobicContact CD1-CG2 3.53Å; L773-I852 HydrophobicContact CD2-CG2 4.39Å; F825-I852 HydrophobicContact CB-CB 4.3Å; F825-I852 HydrophobicContact CD1-CD1 4.15Å; F825-I852 HydrophobicContact CD1-CG1 4.28Å; F825-I852 PolarHBondContact N-O 3.11Å; F825-I852 PolarHBondContact O-N 2.84Å; F850-I852 HydrophobicContact CD2-CD1 4.13Å; F850-I852 HydrophobicContact CD2-CG1 3.89Å; F850-I852 HydrophobicContact CE2-CD1 3.85Å; F850-I852 HydrophobicContact CE2-CG1 4.09Å
853	S	91	Very high	91.8	Very high	25 Å²	25	43.9 Å²	43.9	18%	0.175	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134	172.6	-47	0	0	0	0	108.6	S593 E594 L855	S593-S853 WeakPolarHBondContact CB-O 3.24Å; E594-S853 PolarHBondContact N-O 2.66Å; E594-S853 VanDerWaalsContact N-O 3.09Å; E594-S853 PolarHBondContact O-N 3.29Å; E594-S853 PolarHBondContact OE1-OG 3.11Å; S853-L855 PolarHBondContact O-N 3.04Å; S853-L855 VanDerWaalsContact O-N 3.1Å
854	A	88.8	Confident	91.8	Very high	10 Å²	10	41.9 Å²	41.9	8%	0.083	20%	0.2	C	C	.	.	S	Bend	trans	-65	-16.2	-174.7	0	0	0	0	0	114.5	S593 S771 L773 S823	S593-A854 VanDerWaalsContact OG-C 3.23Å; S593-A854 PolarHBondContact OG-O 2.76Å; S771-A854 VanDerWaalsContact O-CB 3.31Å; S771-A854 WeakPolarHBondContact O-CB 3.34Å; S771-A854 PolarHBondContact OG-O 2.76Å; L773-A854 HydrophobicContact CD1-CB 4.19Å; L773-A854 HydrophobicContact CG-CB 4.01Å; S823-A854 WeakPolarHBondContact O-CB 3.38Å; S823-A854 PolarHBondContact O-N 2.97Å
855	L	90.1	Very high	91.9	Very high	81 Å²	81	40.5 Å²	40.5	42%	0.424	20%	0.195	S	C	.	.	S	Bend	trans	-132.3	146.4	176.4	-67	174.3	0	0	0	111.3	V591 I592 S853	V591-L855 HydrophobicContact CG1-CD2 3.46Å; V591-L855 VanDerWaalsContact CG1-CD2 3.46Å; I592-L855 CarbonylContact O-C 3.4Å; I592-L855 WeakPolarHBondContact O-CA 3.5Å; S853-L855 PolarHBondContact O-N 3.04Å; S853-L855 VanDerWaalsContact O-N 3.1Å
856	W	92.5	Very high	92.1	Very high	27 Å²	27	35.1 Å²	35.1	10%	0.102	17%	0.171	C	C	.	.			trans	-64.7	147.6	167	-169.8	-114.1	0	0	0	111.1	I592 E594 F612 P614 T858 K861	I592-W856 HydrophobicContact CB-CB 4.02Å; I592-W856 HydrophobicContact CG2-CB 3.82Å; I592-W856 HydrophobicContact CG2-CD2 4.47Å; I592-W856 HydrophobicContact CG2-CG 4.14Å; I592-W856 PolarHBondContact O-N 2.86Å; E594-W856 HydrophobicContact CB-CE3 3.72Å; E594-W856 HydrophobicContact CB-CZ3 4.04Å; E594-W856 HydrophobicContact CG-CE3 4.04Å; E594-W856 HydrophobicContact CG-CZ3 3.87Å; F612-W856 HydrophobicContact CB-CH2 4.25Å; F612-W856 HydrophobicContact CB-CZ3 4.48Å; P614-W856 HydrophobicContact CB-CD2 4.17Å; P614-W856 HydrophobicContact CB-CE3 3.71Å; P614-W856 HydrophobicContact CB-CH2 4.1Å; P614-W856 HydrophobicContact CB-CZ2 4.49Å; P614-W856 HydrophobicContact CB-CZ3 3.68Å; P614-W856 HydrophobicContact CG-CH2 4.21Å; P614-W856 HydrophobicContact CG-CZ3 4.22Å; W856-T858 PolarHBondContact NE1-OG1 2.96Å; W856-K861 PolarHBondContact O-NZ 3.03Å
857	Q	89.4	Confident	92.4	Very high	130 Å²	130	33.5 Å²	33.5	61%	0.607	16%	0.163	S	C	*	.	S	Bend	trans	-73.4	-40.3	-170.7	-66.7	-180	22.5	0	0	113.5	E594 K861	E594-Q857 VanDerWaalsContact CD-NE2 3.26Å; E594-Q857 PolarHBondContact OE1-NE2 3.01Å; E594-Q857 VanDerWaalsContact OE2-CD 3.28Å; E594-Q857 VanDerWaalsContact OE2-CG 3.3Å; E594-Q857 WeakPolarHBondContact OE2-CG 3.42Å; E594-Q857 PolarHBondContact OE2-NE2 3.44Å; Q857-K861 PolarHBondContact O-NZ 3.24Å
858	T	92.8	Very high	92.6	Very high	48 Å²	48	35.1 Å²	35.1	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-70	174.5	-178.8	75.7	0	0	0	0	112.2	W856 V860 K861	W856-T858 PolarHBondContact NE1-OG1 2.96Å; T858-V860 PolarHBondContact O-N 3.38Å; T858-V860 VanDerWaalsContact O-N 3.16Å; T858-V860 PolarHBondContact OG1-N 3.47Å; T858-K861 WeakPolarHBondContact O-CD 3.49Å; T858-K861 VanDerWaalsContact O-CE 3.25Å; T858-K861 WeakPolarHBondContact O-CE 3.44Å; T858-K861 PolarHBondContact O-NZ 3.29Å
859	H	92.5	Very high	92.6	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.236	17%	0.172	C	C	.	.	S	Bend	trans	-63.5	-14.6	175	71.5	-91.3	0	0	0	113.6	F513 G514 K516 N518 K861	F513-H859 PolarHBondContact O-CE1 2.93Å; F513-H859 PolarHBondContact O-NE2 3.36Å; G514-H859 PolarHBondContact O-CE1 2.86Å; K516-H859 PolarHBondContact O-CE1 3.09Å; K516-H859 PolarHBondContact O-NE2 3Å; N518-H859 VanDerWaalsContact OD1-CB 3.22Å; N518-H859 WeakPolarHBondContact OD1-CB 2.97Å; N518-H859 PolarHBondContact OD1-CD2 3.16Å; H859-K861 VanDerWaalsContact C-N 3.33Å; H859-K861 PolarHBondContact O-N 3.43Å
860	V	94.7	Very high	92.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.			trans	-75.7	81.4	177.7	-168.4	0	0	0	0	109.6	Y509 T510 F513 L521 I592 T858	Y509-V860 HydrophobicContact CD1-CG1 3.88Å; Y509-V860 HydrophobicContact CE1-CG1 3.31Å; T510-V860 HydrophobicContact CG2-CG1 4.32Å; F513-V860 HydrophobicContact CB-CG2 4.31Å; L521-V860 HydrophobicContact CD2-CG1 4.22Å; L521-V860 HydrophobicContact CD2-CG2 3.99Å; I592-V860 HydrophobicContact CD1-CG1 4.07Å; T858-V860 PolarHBondContact O-N 3.38Å; T858-V860 VanDerWaalsContact O-N 3.16Å; T858-V860 PolarHBondContact OG1-N 3.47Å
861	K	92	Very high	90.9	Very high	61 Å²	61	37.2 Å²	37.2	27%	0.265	18%	0.184	S	C	.	.			trans	-85.3	-21.5	-177.2	-57.9	-48.7	-171.5	-164.6	0	114.5	I592 W856 Q857 T858 H859	I592-K861 PolarHBondContact N-O 2.8Å; W856-K861 PolarHBondContact O-NZ 3.03Å; Q857-K861 PolarHBondContact O-NZ 3.24Å; T858-K861 WeakPolarHBondContact O-CD 3.49Å; T858-K861 VanDerWaalsContact O-CE 3.25Å; T858-K861 WeakPolarHBondContact O-CE 3.44Å; T858-K861 PolarHBondContact O-NZ 3.29Å; H859-K861 VanDerWaalsContact C-N 3.33Å; H859-K861 PolarHBondContact O-N 3.43Å
862	F	93.3	Very high	89	Confident	94 Å²	94	39.6 Å²	39.6	41%	0.412	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.8	-172.8	-52.2	-81.2	0	0	0	111.7	Y509 P589 M590 V591	Y509-F862 WeakPolarHBondContact CE1-O 3.33Å; P589-F862 HydrophobicContact CB-CB 4.08Å; P589-F862 HydrophobicContact CB-CD1 3.73Å; P589-F862 HydrophobicContact CB-CE1 4.35Å; P589-F862 HydrophobicContact CB-CG 4Å; M590-F862 CarbonylContact O-C 3.55Å; M590-F862 WeakPolarHBondContact O-CA 3.31Å; V591-F862 HydrophobicContact CB-CD1 4.49Å; V591-F862 HydrophobicContact CG2-CD1 4.01Å; V591-F862 HydrophobicContact CG2-CE1 3.87Å
863	F	94.8	Very high	86.7	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.8	168.1	-172.3	-112.9	0	0	0	108	L495 L506 Y509 F526 W536 M590 I592 V616 V865	L495-F863 HydrophobicContact CD1-CZ 3.99Å; L506-F863 HydrophobicContact CD1-CB 4.05Å; L506-F863 HydrophobicContact CD1-CD2 3.67Å; L506-F863 HydrophobicContact CD1-CE2 4.25Å; L506-F863 HydrophobicContact CD1-CG 3.9Å; Y509-F863 AromaticContact CD1-CD2 3.73Å; Y509-F863 HydrophobicContact CD1-CD2 3.73Å; Y509-F863 HydrophobicContact CD1-CE2 4.26Å; Y509-F863 HydrophobicContact CE1-CD2 4.1Å; Y509-F863 HydrophobicContact CG-CD2 4.4Å; F526-F863 HydrophobicContact CB-CE1 3.97Å; F526-F863 HydrophobicContact CB-CE2 4.36Å; F526-F863 HydrophobicContact CB-CZ 3.75Å; F526-F863 AromaticContact CD1-CE2 3.94Å; F526-F863 HydrophobicContact CD1-CE2 3.94Å; F526-F863 AromaticContact CD1-CZ 3.85Å; F526-F863 HydrophobicContact CD1-CZ 3.85Å; F526-F863 AromaticContact CD2-CD2 3.69Å; F526-F863 HydrophobicContact CD2-CD2 3.69Å; F526-F863 HydrophobicContact CD2-CE1 4.22Å; F526-F863 AromaticContact CD2-CE2 3.33Å; F526-F863 HydrophobicContact CD2-CE2 3.33Å; F526-F863 HydrophobicContact CD2-CG 4.28Å; F526-F863 AromaticContact CD2-CZ 3.63Å; F526-F863 HydrophobicContact CD2-CZ 3.63Å; F526-F863 HydrophobicContact CE1-CE2 4.01Å; F526-F863 HydrophobicContact CE1-CZ 4.35Å; F526-F863 AromaticContact CE2-CD2 3.72Å; F526-F863 HydrophobicContact CE2-CD2 3.72Å; F526-F863 AromaticContact CE2-CE2 3.43Å; F526-F863 HydrophobicContact CE2-CE2 3.43Å; F526-F863 VanDerWaalsContact CE2-CE2 3.43Å; F526-F863 HydrophobicContact CE2-CZ 4.18Å; F526-F863 HydrophobicContact CG-CD2 4.37Å; F526-F863 HydrophobicContact CG-CE1 4.1Å; F526-F863 AromaticContact CG-CE2 3.6Å; F526-F863 HydrophobicContact CG-CE2 3.6Å; F526-F863 AromaticContact CG-CZ 3.43Å; F526-F863 HydrophobicContact CG-CZ 3.43Å; F526-F863 VanDerWaalsContact CG-CZ 3.43Å; F526-F863 HydrophobicContact CZ-CD2 4.42Å; F526-F863 AromaticContact CZ-CE2 3.78Å; F526-F863 HydrophobicContact CZ-CE2 3.78Å; W536-F863 AromaticContact CH2-CD1 3.83Å; W536-F863 HydrophobicContact CH2-CD1 3.83Å; W536-F863 AromaticContact CH2-CE1 3.67Å; W536-F863 HydrophobicContact CH2-CE1 3.67Å; W536-F863 HydrophobicContact CZ3-CD1 4.14Å; W536-F863 AromaticContact CZ3-CE1 3.9Å; W536-F863 HydrophobicContact CZ3-CE1 3.9Å; M590-F863 HydrophobicContact CB-CB 4.32Å; M590-F863 PolarHBondContact N-O 3.15Å; M590-F863 VanDerWaalsContact N-O 3.11Å; M590-F863 PolarHBondContact O-N 2.85Å; I592-F863 HydrophobicContact CD1-CB 4.12Å; I592-F863 HydrophobicContact CG1-CB 4.1Å; V616-F863 HydrophobicContact CG1-CB 4.24Å; F863-V865 HydrophobicContact CD1-CG2 3.43Å; F863-V865 VanDerWaalsContact CD1-CG2 3.43Å; F863-V865 HydrophobicContact CE1-CG2 3.63Å; F863-V865 HydrophobicContact CG-CG2 4.49Å; F863-V865 PolarHBondContact O-N 3.16Å; F863-V865 VanDerWaalsContact O-N 3.14Å
864	P	93.9	Very high	84.1	Confident	17 Å²	17	55.2 Å²	55.2	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	99.4	-170.6	29	-34.7	0	0	0	111.5	V524 F526 V587	V524-P864 WeakPolarHBondContact O-CG 3.36Å; F526-P864 HydrophobicContact CD2-CG 4.02Å; F526-P864 HydrophobicContact CE2-CG 4.16Å; F526-P864 PolarHBondContact N-O 3.46Å; V587-P864 HydrophobicContact CG1-CB 3.66Å
865	V	94.9	Very high	81.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.8	-177.9	172.7	0	0	0	0	111.6	F526 P528 L540 V587 L588 M590 F863 V867	F526-V865 HydrophobicContact CB-CG2 4.47Å; F526-V865 CarbonylContact O-C 3.51Å; F526-V865 WeakPolarHBondContact O-CA 3.49Å; P528-V865 HydrophobicContact CG-CG1 4.16Å; P528-V865 HydrophobicContact CG-CG2 4.29Å; L540-V865 HydrophobicContact CD2-CG1 4.06Å; V587-V865 CarbonylContact C-O 3.54Å; V587-V865 WeakPolarHBondContact CA-O 3.5Å; L588-V865 PolarHBondContact N-O 3.46Å; L588-V865 PolarHBondContact O-N 3.06Å; M590-V865 HydrophobicContact CG-CG2 4.32Å; M590-V865 HydrophobicContact SD-CB 4.1Å; M590-V865 HydrophobicContact SD-CG2 3.59Å; M590-V865 VanDerWaalsContact SD-CG2 3.59Å; F863-V865 HydrophobicContact CD1-CG2 3.43Å; F863-V865 VanDerWaalsContact CD1-CG2 3.43Å; F863-V865 HydrophobicContact CE1-CG2 3.63Å; F863-V865 HydrophobicContact CG-CG2 4.49Å; F863-V865 PolarHBondContact O-N 3.16Å; F863-V865 VanDerWaalsContact O-N 3.14Å; V865-V867 HydrophobicContact CG1-CG1 4.38Å
866	G	93.7	Very high	78.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131	171.8	0	0	0	0	0	111.8	F526 Y580 L586	F526-G866 PolarHBondContact O-N 3.26Å; Y580-G866 VanDerWaalsContact CE2-O 3.3Å; Y580-G866 WeakPolarHBondContact CE2-O 3.45Å; Y580-G866 PolarHBondContact OH-O 2.9Å; L586-G866 WeakPolarHBondContact O-CA 3.26Å
867	V	93.4	Very high	75.6	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157	174.3	-64.9	0	0	0	0	110	A584 L586 L588 V865 L870	A584-V867 CarbonylContact C-O 3.54Å; A584-V867 VanDerWaalsContact CA-O 3.24Å; A584-V867 WeakPolarHBondContact CA-O 3.41Å; A584-V867 WeakPolarHBondContact CB-O 3.24Å; L586-V867 HydrophobicContact CB-CG2 4Å; L586-V867 HydrophobicContact CD2-CG2 3.97Å; L586-V867 HydrophobicContact CG-CG2 3.88Å; L586-V867 PolarHBondContact N-O 3.35Å; L586-V867 PolarHBondContact O-N 3.34Å; L588-V867 HydrophobicContact CB-CG1 4.06Å; L588-V867 HydrophobicContact CB-CG2 4.07Å; L588-V867 HydrophobicContact CD2-CG1 4.28Å; V865-V867 HydrophobicContact CG1-CG1 4.38Å; V867-L870 HydrophobicContact CG2-CD2 4.11Å; V867-L870 HydrophobicContact CG2-CG 4.34Å
868	F	93.9	Very high	75	Confident	35 Å²	35	69 Å²	69	15%	0.154	36%	0.36	C	S	.	.	S	Bend	trans	-76.7	-50.3	176	-60.5	-91.3	0	0	0	110.2	D544 T546 L550 R579 Y580 N583 A584	D544-F868 WeakPolarHBondContact OD2-CB 3.36Å; D544-F868 WeakPolarHBondContact OD2-CD2 3.43Å; D544-F868 PolarHBondContact OD2-N 3.1Å; T546-F868 HydrophobicContact CG2-CB 4Å; T546-F868 HydrophobicContact CG2-CD1 3.85Å; T546-F868 HydrophobicContact CG2-CD2 3.78Å; T546-F868 HydrophobicContact CG2-CE1 4.19Å; T546-F868 HydrophobicContact CG2-CE2 4.16Å; T546-F868 HydrophobicContact CG2-CG 3.62Å; T546-F868 HydrophobicContact CG2-CZ 4.34Å; L550-F868 HydrophobicContact CD1-CE1 4.09Å; L550-F868 HydrophobicContact CD1-CE2 3.65Å; L550-F868 HydrophobicContact CD1-CZ 3.23Å; R579-F868 HydrophobicContact CG-CE1 4.48Å; R579-F868 WeakPolarHBondContact O-CE1 3.47Å; Y580-F868 HydrophobicContact CD2-CD2 4.26Å; Y580-F868 HydrophobicContact CD2-CE1 4.45Å; Y580-F868 AromaticContact CD2-CE2 3.47Å; Y580-F868 HydrophobicContact CD2-CE2 3.47Å; Y580-F868 VanDerWaalsContact CD2-CE2 3.47Å; Y580-F868 AromaticContact CD2-CZ 3.6Å; Y580-F868 HydrophobicContact CD2-CZ 3.6Å; Y580-F868 HydrophobicContact CE2-CE2 4.1Å; Y580-F868 HydrophobicContact CG-CE2 4.29Å; Y580-F868 HydrophobicContact CG-CZ 4.16Å; N583-F868 HydrophobicContact CB-CD1 4.01Å; N583-F868 HydrophobicContact CB-CE1 3.95Å; A584-F868 HydrophobicContact CB-CD1 4.14Å; A584-F868 HydrophobicContact CB-CD2 4.29Å; A584-F868 HydrophobicContact CB-CE1 4.35Å; A584-F868 HydrophobicContact CB-CE2 4.47Å; A584-F868 HydrophobicContact CB-CG 4.12Å
869	Q	87.2	Confident	74	Confident	86 Å²	86	70.1 Å²	70.1	40%	0.402	36%	0.364	S	S	.	.			trans	-148.8	165.5	179.6	67	-175.8	39.1	0	0	109.7	D544 D871	D544-Q869 WeakPolarHBondContact CB-O 3.35Å; D544-Q869 VanDerWaalsContact CG-O 3.27Å; D544-Q869 PolarHBondContact OD2-N 2.88Å; Q869-D871 PolarHBondContact NE2-OD1 3.23Å
870	L	79.6	Confident	73	Confident	31 Å²	31	71.1 Å²	71.1	16%	0.162	37%	0.371	C	S	.	.			trans	-110.4	118.5	166.3	-67.7	172.4	0	0	0	108	M543 L586 L588 P758 V867 T872	M543-L870 HydrophobicContact CB-CD2 4.49Å; M543-L870 HydrophobicContact CE-CD2 4.09Å; L586-L870 HydrophobicContact CD2-CD1 4.03Å; L586-L870 HydrophobicContact CD2-CG 3.82Å; L588-L870 HydrophobicContact CD1-CD1 4.41Å; L588-L870 HydrophobicContact CD1-CD2 4.1Å; L588-L870 HydrophobicContact CD2-CD2 4.4Å; P758-L870 HydrophobicContact CB-CB 4.46Å; P758-L870 HydrophobicContact CB-CD1 3.86Å; V867-L870 HydrophobicContact CG2-CD2 4.11Å; V867-L870 HydrophobicContact CG2-CG 4.34Å; L870-T872 PolarHBondContact O-N 2.99Å
871	D	69.8	Low	71.7	Confident	60 Å²	60	75.3 Å²	75.3	32%	0.321	39%	0.393	S	S	.	.			trans	-69.2	99.6	169.2	-62.8	-31.5	0	0	0	107.1	M543 R545 Q869 V873	M543-D871 PolarHBondContact O-N 3Å; R545-D871 VanDerWaalsContact CB-OD2 3.24Å; R545-D871 WeakPolarHBondContact CB-OD2 3.4Å; R545-D871 PolarHBondContact N-OD2 2.79Å; Q869-D871 PolarHBondContact NE2-OD1 3.23Å; D871-V873 PolarHBondContact O-N 3.34Å
872	T	56.3	Low	70.4	Confident	73 Å²	73	76.2 Å²	76.2	45%	0.448	40%	0.401	S	S	.	.			trans	-61.2	122.6	164.7	42.6	0	0	0	0	107	P758 L870 R874	P758-T872 HydrophobicContact CG-CG2 3.85Å; L870-T872 PolarHBondContact O-N 2.99Å; T872-R874 PolarHBondContact O-N 3.24Å
873	V	47	Very low	68.9	Low	136 Å²	136	75 Å²	75	82%	0.824	40%	0.4	S	S	*	.			trans	-63	92.7	162.2	179.7	0	0	0	0	105.6	D871 E875	D871-V873 PolarHBondContact O-N 3.34Å; V873-E875 PolarHBondContact O-N 3.08Å
874	R	35.2	Very low	67.1	Low	218 Å²	218	80.3 Å²	80.3	82%	0.823	43%	0.428	S	S	*	.			trans	-63.1	105.9	164.6	-76.6	-179.8	170.7	161.9	-3.1	105.4	T872 S876	T872-R874 PolarHBondContact O-N 3.24Å; R874-S876 PolarHBondContact O-N 3.09Å
875	E	31.7	Very low	65	Low	150 Å²	150	85.2 Å²	85.2	70%	0.701	45%	0.452	S	S	*	.			trans	-57	94.9	151.6	-70.6	-176.4	151.7	0	0	106.1	V873 T877	V873-E875 PolarHBondContact O-N 3.08Å; E875-T877 VanDerWaalsContact C-N 3.33Å; E875-T877 PolarHBondContact O-N 3.2Å
876	S	30.1	Very low	62.5	Low	112 Å²	112	92.3 Å²	92.3	78%	0.783	49%	0.49	S	S	*	.			trans	-69.5	98.6	165.6	53.1	0	0	0	0	106.8	R874	R874-S876 PolarHBondContact O-N 3.09Å
877	T	32.3	Very low	59.7	Low	205 Å²	205	100.6 Å²	100.6	100%	1.258	54%	0.535	S	S	*	.			trans	-51.5	0	161.8	51.9	0	0	0	0	111.4	E875	E875-T877 VanDerWaalsContact C-N 3.33Å; E875-T877 PolarHBondContact O-N 3.2Å

Retrieved 877 of 877 residues in 405.2 ms (Link to these results)

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