A0A087XTK1_POEFO Loading...

Lysine-specific demethylase PHF2

Lysine demethylase that demethylates both histones and non-histone proteins. Mediates demethylation of dimethylated 'Lys-9' of histone H3 (H3K9me2). Recruited to trimethylated 'Lys-4' of histone H3 (H3K4me3) at rDNA promoters and promotes expression of rDNA.

AlphaFold DB , UniProt , Accession A0A087XTK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,069 aa.

						>A0A087XTK1_POEFO|A0A087XTK1
MATVPVYCICRLPYDVTQFMIECDACKDWFHGSCVGVDEDDAPDIDIYHCPNCEKTHGKSTLKKKKNWSKHDTGQSTDIRAVQNGSQVFIKELRSRTFPSADDIVVKLSSSQLTLDYLEENGFNEPILVQKKDGLGMSMPPPTFYISDVEKYVGPDVPVDVVDVTKQTDSQMKLKEFVDYYYSTNRKKVLNVINLEFSDTRMSSVVESPQIVRRLSWVENYWPDDALLGKPKVTKYCLICVKDSYTDFHIECGGASVWYHVLKGEKIFFLIKPTSANLSLYERWRSSSNHGEMFFADQVDKCYKCTLKQGQTLFVPSGWINAVLTPVDCLAFSGHFVHNLSVEMQMRAYEIEKRLKVKTLTPFPNFETACWYVGRHLLERFKGLHKANKQPAPYLIHGAKIINGAFRAWTKKQALLEHEDELPENMKPSQLIKDLAKEIRLSENATKAIKSEPSIKAPVEEPAFTHSEPDEPVSPATIPSPSREKPKKKAPKSQKPPKAPKAPKPPKVKDGEKKKVKKIKELSPPPKPSSFAALESHAKEILSQMDQQKKPRFVKNVLSVSEKETSKQNNMDKFEIREQNKNKTEAKWKYKNSKPDSLLKMEEECKFDRIPLSGNKDRFSFTMSHRKLASSKTLKPQTNSSIFGSLQNLKEDKTKPVRDEYEYVSDEGELKIDEFPIRRKKNTVKRDLSFLSDIREPLQPAKKAKSQPLVTKSVDSSDEETLHIDTEAKPEVKSRNSKVKKKSGSAAGILDLLQASKQVGGIDYNTNSQPPASPSTQEAIQGMLSMANLSSSETLEQPWSNSQSKSNSHGSQAYKKSGAGAGGSSNSKRPTKRLPKKPRKSSSIESLDYDDDEQDHMDACFKDSDYVYPSLESEEDNPVFKSRSKKRKSSDDTPYSPTARVGPSVPRHERPAREGARVASIETGLAAAAAKLSHQEEQQRTKKKKKSGKKKSAAVEEPPKHSQDSSSPDHNADSQDGSLTDHEFTTGTAKSPGGPQPMAPGIFLSQRRPSVSSPNNSTNSTSTNSSSAARADRLGPADAKAKRLKKGMATAKQRLGKILKIHRNGKLLL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	80.4	Confident	236 Å²	236	97.6 Å²	97.6	100%	1.163	54%	0.544	S	S	*	.				0	139.4	0	-68.8	165.3	173.1	0	0	106.9	T3	M1-T3 PolarHBondContact O-N 3.38Å
2	A	51.3	Low	81.2	Confident	104 Å²	104	96.9 Å²	96.9	86%	0.86	54%	0.538	S	S	*	.			trans	-75.9	113.5	168.5	0	0	0	0	0	107.6	V4	A2-V4 PolarHBondContact O-N 3.25Å
3	T	71.6	Confident	81.8	Confident	129 Å²	129	94.5 Å²	94.5	79%	0.791	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-71.9	119.2	170.4	45.2	0	0	0	0	107.9	M1	M1-T3 PolarHBondContact O-N 3.38Å
4	V	79.9	Confident	82.4	Confident	103 Å²	103	97.8 Å²	97.8	62%	0.624	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-56	129.6	173.2	-178	0	0	0	0	107.9	A2 V6 P13	A2-V4 PolarHBondContact O-N 3.25Å; V4-V6 PolarHBondContact O-N 3.29Å; V4-P13 HydrophobicContact CG1-CB 3.88Å
5	P	83.7	Confident	82.8	Confident	76 Å²	76	94.7 Å²	94.7	49%	0.494	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-63	132.6	179.3	26.5	-34.2	0	0	0	109.7	Y7	P5-Y7 HydrophobicContact CB-CE2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 4.11Å
6	V	92.4	Very high	82.9	Confident	71 Å²	71	96.4 Å²	96.4	43%	0.43	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.9	177.9	-67	0	0	0	0	110	V4 R11 L12	V4-V6 PolarHBondContact O-N 3.29Å; V6-R11 HydrophobicContact CG2-CB 4.38Å; V6-L12 CarbonylContact C-O 3.56Å; V6-L12 VanDerWaalsContact CA-O 3.29Å; V6-L12 WeakPolarHBondContact CA-O 3.43Å
7	Y	93.1	Very high	82.9	Confident	68 Å²	68	97.9 Å²	97.9	27%	0.267	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	173.3	-171.9	-58.3	-81.3	0	0	0	110.5	P5 R11 L12 W29	P5-Y7 HydrophobicContact CB-CE2 3.96Å; P5-Y7 HydrophobicContact CG-CE2 4.11Å; Y7-R11 VanDerWaalsContact O-CA 3.3Å; Y7-R11 WeakPolarHBondContact O-CA 3.43Å; Y7-R11 PolarHBondContact O-N 3.49Å; Y7-L12 PolarHBondContact N-O 3.19Å; Y7-L12 PolarHBondContact O-N 2.94Å; Y7-W29 HydrophobicContact CD1-CB 4.06Å; Y7-W29 HydrophobicContact CG-CB 4.4Å
8	C	92.9	Very high	83.1	Confident	0 Å²	0	96.4 Å²	96.4	0%	0	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	171.5	171.7	-167.3	0	0	0	0	114.1	C10 R11 M20 D28 W29 F30 H31 C34	C8-C10 PolarHBondContact O-N 2.85Å; C8-R11 WeakPolarHBondContact O-CD 3.31Å; C8-R11 PolarHBondContact O-N 3.28Å; C8-R11 PolarHBondContact O-NH1 3.41Å; C8-M20 HydrophobicContact CB-CE 4.35Å; C8-D28 PolarHBondContact N-OD1 2.91Å; C8-W29 WeakPolarHBondContact CA-O 3.27Å; C8-W29 WeakPolarHBondContact CB-O 3.43Å; C8-W29 PolarHBondContact N-O 3.06Å; C8-F30 HydrophobicContact CB-CD1 4.37Å; C8-H31 PolarHBondContact SG-N 3.04Å; C8-C34 WeakPolarHBondContact SG-CB 3.45Å
9	I	91.6	Very high	83.5	Confident	95 Å²	95	94.1 Å²	94.1	49%	0.487	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.8	173.7	61.9	173.9	0	0	0	112.8	F30 C34	I9-F30 HydrophobicContact CG2-CD1 4.15Å; I9-F30 HydrophobicContact CG2-CE1 3.8Å; I9-C34 HydrophobicContact CD1-CB 4.34Å; I9-C34 VanDerWaalsContact CD1-O 3.28Å; I9-C34 WeakPolarHBondContact CD1-O 3.35Å; I9-C34 HydrophobicContact CG1-CB 4.14Å
10	C	92.1	Very high	84	Confident	50 Å²	50	90.2 Å²	90.2	34%	0.338	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10	179.1	62.5	0	0	0	0	114.1	C8 L12 H31	C8-C10 PolarHBondContact O-N 2.85Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.26Å; C10-L12 PolarHBondContact O-N 3.07Å; C10-H31 VanDerWaalsContact SG-CE1 3.52Å; C10-H31 PolarHBondContact SG-ND1 3.39Å; C10-H31 VanDerWaalsContact SG-ND1 3.38Å
11	R	90.8	Very high	84.5	Confident	142 Å²	142	86.8 Å²	86.8	54%	0.536	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	45.6	179.5	-60.1	-58.7	-177.6	-153.1	0.5	113.8	V6 Y7 C8 D28	V6-R11 HydrophobicContact CG2-CB 4.38Å; Y7-R11 VanDerWaalsContact O-CA 3.3Å; Y7-R11 WeakPolarHBondContact O-CA 3.43Å; Y7-R11 PolarHBondContact O-N 3.49Å; C8-R11 WeakPolarHBondContact O-CD 3.31Å; C8-R11 PolarHBondContact O-N 3.28Å; C8-R11 PolarHBondContact O-NH1 3.41Å; R11-D28 IonicContact CZ-OD2 3.66Å; R11-D28 IonicContact NH1-OD1 2.63Å; R11-D28 IonicContact NH1-OD2 2.76Å; R11-D28 PolarHBondContact NH1-OD2 3.49Å; R11-D28 IonicContact NH2-OD2 3.02Å
12	L	89.5	Confident	86.8	Confident	89 Å²	89	79 Å²	79	47%	0.466	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	156.6	171.8	-64.8	179.3	0	0	0	110.2	V6 Y7 C10	V6-L12 CarbonylContact C-O 3.56Å; V6-L12 VanDerWaalsContact CA-O 3.29Å; V6-L12 WeakPolarHBondContact CA-O 3.43Å; Y7-L12 PolarHBondContact N-O 3.19Å; Y7-L12 PolarHBondContact O-N 2.94Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 HydrophobicContact CB-CD1 4.4Å; C10-L12 HydrophobicContact CB-CG 4.26Å; C10-L12 PolarHBondContact O-N 3.07Å
13	P	89.7	Confident	88.9	Confident	65 Å²	65	74.1 Å²	74.1	42%	0.422	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	164.8	167.6	30.8	-36.9	0	0	0	111.1	V4	V4-P13 HydrophobicContact CG1-CB 3.88Å
14	Y	90.1	Very high	90	Very high	141 Å²	141	71.5 Å²	71.5	55%	0.553	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-60.1	137.7	174.9	-179.6	-110	0	0	0	112	V16 M20	Y14-V16 HydrophobicContact CD1-CG2 4.43Å; Y14-V16 HydrophobicContact CE1-CG2 3.89Å; Y14-M20 HydrophobicContact CD2-SD 3.59Å; Y14-M20 VanDerWaalsContact CD2-SD 3.59Å; Y14-M20 HydrophobicContact CE2-SD 3.87Å
15	D	87.9	Confident	90.5	Very high	51 Å²	51	68.4 Å²	68.4	27%	0.273	36%	0.359	S	S	.	.			trans	-128.4	118.2	178.3	-177.8	-10.1	0	0	0	109.1	T17 Q18	D15-T17 VanDerWaalsContact CG-OG1 3.29Å; D15-T17 PolarHBondContact O-N 3.41Å; D15-T17 WeakPolarHBondContact OD1-CB 3.43Å; D15-T17 PolarHBondContact OD1-N 2.92Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å; D15-T17 PolarHBondContact OD2-OG1 3.2Å; D15-Q18 HydrophobicContact CB-CG 4.43Å; D15-Q18 PolarHBondContact O-N 3.35Å; D15-Q18 PolarHBondContact OD2-NE2 3.31Å
16	V	84.9	Confident	91	Very high	122 Å²	122	67.6 Å²	67.6	74%	0.739	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.2	-178.4	-170.4	0	0	0	0	111.9	Y14 Q18	Y14-V16 HydrophobicContact CD1-CG2 4.43Å; Y14-V16 HydrophobicContact CE1-CG2 3.89Å; V16-Q18 VanDerWaalsContact C-N 3.34Å
17	T	82.3	Confident	91	Very high	123 Å²	123	69.8 Å²	69.8	76%	0.755	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-2.7	-177	69	0	0	0	0	114	D15	D15-T17 VanDerWaalsContact CG-OG1 3.29Å; D15-T17 PolarHBondContact O-N 3.41Å; D15-T17 WeakPolarHBondContact OD1-CB 3.43Å; D15-T17 PolarHBondContact OD1-N 2.92Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å; D15-T17 PolarHBondContact OD2-OG1 3.2Å
18	Q	86.1	Confident	91.1	Very high	70 Å²	70	67.9 Å²	67.9	33%	0.327	35%	0.353	S	S	.	.	S	Bend	trans	-119.5	123.1	-178	-65.8	-175.5	59.1	0	0	111.3	D15 V16 M20	D15-Q18 HydrophobicContact CB-CG 4.43Å; D15-Q18 PolarHBondContact O-N 3.35Å; D15-Q18 PolarHBondContact OD2-NE2 3.31Å; V16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-M20 WeakPolarHBondContact O-CG 3.47Å; Q18-M20 PolarHBondContact O-N 2.71Å
19	F	91.3	Very high	91.1	Very high	52 Å²	52	73 Å²	73	23%	0.228	37%	0.372	C	S	.	.			trans	-54.7	128.2	171.9	163.1	-107.1	0	0	0	111.5	I21 H31 G32 V37 E39 A42	F19-I21 HydrophobicContact CZ-CB 3.89Å; F19-I21 HydrophobicContact CZ-CG2 4.44Å; F19-H31 CarbonylContact O-C 3.56Å; F19-H31 WeakPolarHBondContact O-CA 3.48Å; F19-G32 PolarHBondContact O-N 3.01Å; F19-V37 HydrophobicContact CE1-CG1 4.19Å; F19-V37 WeakPolarHBondContact CE1-O 3.38Å; F19-V37 HydrophobicContact CZ-CG1 4.5Å; F19-E39 HydrophobicContact CB-CB 4Å; F19-E39 HydrophobicContact CB-CG 4.14Å; F19-E39 HydrophobicContact CD1-CB 3.87Å; F19-E39 HydrophobicContact CD2-CB 4.03Å; F19-E39 HydrophobicContact CD2-CG 3.77Å; F19-E39 HydrophobicContact CE1-CB 4.46Å; F19-E39 HydrophobicContact CE2-CG 4.42Å; F19-E39 HydrophobicContact CG-CB 3.65Å; F19-E39 HydrophobicContact CG-CG 3.85Å; F19-A42 HydrophobicContact CE1-CB 4.35Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.4Å
20	M	93.2	Very high	91.3	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.2	177.3	-59.5	-165	79.4	0	0	112.4	C8 Y14 Q18 W29 F30	C8-M20 HydrophobicContact CB-CE 4.35Å; Y14-M20 HydrophobicContact CD2-SD 3.59Å; Y14-M20 VanDerWaalsContact CD2-SD 3.59Å; Y14-M20 HydrophobicContact CE2-SD 3.87Å; Q18-M20 WeakPolarHBondContact O-CG 3.47Å; Q18-M20 PolarHBondContact O-N 2.71Å; M20-W29 HydrophobicContact CB-CE3 3.85Å; M20-W29 HydrophobicContact CE-CB 3.78Å; M20-W29 WeakPolarHBondContact CE-O 3.38Å; M20-W29 HydrophobicContact SD-CB 4.47Å; M20-F30 CarbonylContact C-O 3.55Å; M20-F30 VanDerWaalsContact CA-O 3.27Å; M20-F30 WeakPolarHBondContact CA-O 3.36Å
21	I	94	Very high	91.3	Very high	19 Å²	19	66.5 Å²	66.5	10%	0.097	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.3	177.3	-171.1	167.5	0	0	0	111.6	F19 F30 V37 A42 I45 Y48	F19-I21 HydrophobicContact CZ-CB 3.89Å; F19-I21 HydrophobicContact CZ-CG2 4.44Å; I21-F30 PolarHBondContact N-O 2.88Å; I21-F30 PolarHBondContact O-N 3.47Å; I21-V37 HydrophobicContact CD1-CG1 4.22Å; I21-A42 HydrophobicContact CD1-CB 4.36Å; I21-I45 HydrophobicContact CD1-CD1 3.88Å; I21-Y48 HydrophobicContact CB-CD1 4.33Å; I21-Y48 HydrophobicContact CD1-CD1 4.16Å; I21-Y48 HydrophobicContact CD1-CD2 4.16Å; I21-Y48 HydrophobicContact CD1-CG 3.74Å; I21-Y48 HydrophobicContact CG1-CD1 3.83Å; I21-Y48 HydrophobicContact CG1-CG 3.92Å; I21-Y48 HydrophobicContact CG2-CD1 3.77Å; I21-Y48 HydrophobicContact CG2-CE1 3.66Å; I21-Y48 HydrophobicContact CG2-CG 4.29Å
22	E	94.8	Very high	91.2	Very high	74 Å²	74	59.9 Å²	59.9	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.6	178.2	-168.6	-173.5	-168.3	0	0	111.6	K27 W29 Y48	E22-K27 WeakPolarHBondContact OE1-CD 3.5Å; E22-W29 HydrophobicContact CB-CD2 3.98Å; E22-W29 HydrophobicContact CB-CE3 4.33Å; E22-W29 HydrophobicContact CB-CG 4.47Å; E22-W29 HydrophobicContact CB-CH2 4.25Å; E22-W29 HydrophobicContact CB-CZ2 3.86Å; E22-W29 HydrophobicContact CB-CZ3 4.47Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.4Å; E22-Y48 WeakPolarHBondContact O-CD1 3.42Å
23	C	94.8	Very high	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.			trans	-81.1	117	170.8	176.5	0	0	0	0	110.9	A25 C26 K27 D28 F30 Y48 C50	C23-A25 VanDerWaalsContact C-N 3.26Å; C23-A25 PolarHBondContact O-N 3.2Å; C23-C26 VanDerWaalsContact CB-SG 3.59Å; C23-C26 PolarHBondContact O-N 2.91Å; C23-K27 WeakPolarHBondContact O-CA 3.43Å; C23-K27 PolarHBondContact O-N 3.04Å; C23-D28 PolarHBondContact N-O 3.37Å; C23-F30 HydrophobicContact CB-CD2 3.98Å; C23-F30 HydrophobicContact CB-CE2 3.54Å; C23-Y48 CarbonylContact C-O 3.54Å; C23-Y48 WeakPolarHBondContact CA-O 3.32Å; C23-Y48 HydrophobicContact CB-CD1 4.18Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; C23-C50 HydrophobicContact CB-CB 4.03Å; C23-C50 PolarHBondContact SG-N 3.46Å
24	D	94.6	Very high	91.2	Very high	75 Å²	75	59.5 Å²	59.5	40%	0.401	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-37.2	-176.4	-175.7	55.4	0	0	0	113	K27 I47 Y48	D24-K27 WeakPolarHBondContact O-CE 3.23Å; D24-K27 PolarHBondContact O-NZ 3.48Å; D24-K27 IonicContact OD1-NZ 3.62Å; D24-K27 PolarHBondContact OD1-NZ 3.36Å; D24-I47 HydrophobicContact CB-CG2 3.46Å; D24-I47 VanDerWaalsContact CB-CG2 3.46Å; D24-Y48 PolarHBondContact N-O 3.34Å
25	A	91.8	Very high	91.3	Very high	37 Å²	37	54 Å²	54	31%	0.306	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.6	-176.5	0	0	0	0	0	114.8	C23 C53 H57	C23-A25 VanDerWaalsContact C-N 3.26Å; C23-A25 PolarHBondContact O-N 3.2Å; A25-C53 HydrophobicContact CB-CB 3.78Å; A25-H57 HydrophobicContact CB-CB 4.37Å; A25-H57 VanDerWaalsContact CB-CD2 3.49Å; A25-H57 WeakPolarHBondContact CB-CD2 3.41Å
26	C	92.9	Very high	91.2	Very high	59 Å²	59	54.8 Å²	54.8	40%	0.399	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-5.1	-177.9	73.2	0	0	0	0	115.5	C23 D28	C23-C26 VanDerWaalsContact CB-SG 3.59Å; C23-C26 PolarHBondContact O-N 2.91Å; C26-D28 PolarHBondContact O-N 2.87Å; C26-D28 VanDerWaalsContact O-N 3.12Å
27	K	93	Very high	91.4	Very high	118 Å²	118	49.7 Å²	49.7	51%	0.513	29%	0.287	S	S	.	.			trans	52.3	32.7	179	-51.3	-61.8	178.9	-173.7	0	113.7	E22 C23 D24	E22-K27 WeakPolarHBondContact OE1-CD 3.5Å; C23-K27 WeakPolarHBondContact O-CA 3.43Å; C23-K27 PolarHBondContact O-N 3.04Å; D24-K27 WeakPolarHBondContact O-CE 3.23Å; D24-K27 PolarHBondContact O-NZ 3.48Å; D24-K27 IonicContact OD1-NZ 3.62Å; D24-K27 PolarHBondContact OD1-NZ 3.36Å
28	D	94.1	Very high	91.4	Very high	28 Å²	28	48.8 Å²	48.8	15%	0.15	28%	0.278	C	S	.	.			trans	-106.6	149.6	171	-165.7	-7.6	0	0	0	107.8	C8 R11 C23 C26 F30	C8-D28 PolarHBondContact N-OD1 2.91Å; R11-D28 IonicContact CZ-OD2 3.66Å; R11-D28 IonicContact NH1-OD1 2.63Å; R11-D28 IonicContact NH1-OD2 2.76Å; R11-D28 PolarHBondContact NH1-OD2 3.49Å; R11-D28 IonicContact NH2-OD2 3.02Å; C23-D28 PolarHBondContact N-O 3.37Å; C26-D28 PolarHBondContact O-N 2.87Å; C26-D28 VanDerWaalsContact O-N 3.12Å; D28-F30 HydrophobicContact CB-CE2 3.86Å; D28-F30 HydrophobicContact CB-CZ 4.01Å; D28-F30 WeakPolarHBondContact O-CD2 3.11Å; D28-F30 WeakPolarHBondContact O-CE2 3.47Å
29	W	94.3	Very high	91.3	Very high	107 Å²	107	52 Å²	52	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.1	-174.7	-76.4	74.4	0	0	0	110.3	Y7 C8 M20 E22	Y7-W29 HydrophobicContact CD1-CB 4.06Å; Y7-W29 HydrophobicContact CG-CB 4.4Å; C8-W29 WeakPolarHBondContact CA-O 3.27Å; C8-W29 WeakPolarHBondContact CB-O 3.43Å; C8-W29 PolarHBondContact N-O 3.06Å; M20-W29 HydrophobicContact CB-CE3 3.85Å; M20-W29 HydrophobicContact CE-CB 3.78Å; M20-W29 WeakPolarHBondContact CE-O 3.38Å; M20-W29 HydrophobicContact SD-CB 4.47Å; E22-W29 HydrophobicContact CB-CD2 3.98Å; E22-W29 HydrophobicContact CB-CE3 4.33Å; E22-W29 HydrophobicContact CB-CG 4.47Å; E22-W29 HydrophobicContact CB-CH2 4.25Å; E22-W29 HydrophobicContact CB-CZ2 3.86Å; E22-W29 HydrophobicContact CB-CZ3 4.47Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.4Å
30	F	94.8	Very high	90.6	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.8	-174.6	-63.1	-92.6	0	0	0	110.8	C8 I9 M20 I21 C23 D28 G32 V35 Y48 C50	C8-F30 HydrophobicContact CB-CD1 4.37Å; I9-F30 HydrophobicContact CG2-CD1 4.15Å; I9-F30 HydrophobicContact CG2-CE1 3.8Å; M20-F30 CarbonylContact C-O 3.55Å; M20-F30 VanDerWaalsContact CA-O 3.27Å; M20-F30 WeakPolarHBondContact CA-O 3.36Å; I21-F30 PolarHBondContact N-O 2.88Å; I21-F30 PolarHBondContact O-N 3.47Å; C23-F30 HydrophobicContact CB-CD2 3.98Å; C23-F30 HydrophobicContact CB-CE2 3.54Å; D28-F30 HydrophobicContact CB-CE2 3.86Å; D28-F30 HydrophobicContact CB-CZ 4.01Å; D28-F30 WeakPolarHBondContact O-CD2 3.11Å; D28-F30 WeakPolarHBondContact O-CE2 3.47Å; F30-G32 PolarHBondContact O-N 3.3Å; F30-V35 HydrophobicContact CB-CG1 3.73Å; F30-V35 HydrophobicContact CB-CG2 4.15Å; F30-V35 HydrophobicContact CD1-CG1 3.81Å; F30-V35 HydrophobicContact CG-CG1 4.02Å; F30-Y48 HydrophobicContact CB-CE1 4.44Å; F30-Y48 HydrophobicContact CD2-CE1 4.08Å; F30-Y48 HydrophobicContact CG-CE1 4.46Å; F30-C50 HydrophobicContact CD1-CB 4.24Å; F30-C50 HydrophobicContact CD2-CB 3.94Å; F30-C50 HydrophobicContact CE1-CB 3.91Å; F30-C50 HydrophobicContact CE2-CB 3.58Å; F30-C50 HydrophobicContact CG-CB 4.28Å; F30-C50 HydrophobicContact CZ-CB 3.58Å
31	H	92.6	Very high	89.9	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	129.8	168.8	-48.9	117.1	0	0	0	108.8	C8 C10 F19 S33 C34	C8-H31 PolarHBondContact SG-N 3.04Å; C10-H31 VanDerWaalsContact SG-CE1 3.52Å; C10-H31 PolarHBondContact SG-ND1 3.39Å; C10-H31 VanDerWaalsContact SG-ND1 3.38Å; F19-H31 CarbonylContact O-C 3.56Å; F19-H31 WeakPolarHBondContact O-CA 3.48Å; H31-S33 PolarHBondContact O-N 2.9Å; H31-C34 HydrophobicContact CB-CB 4.26Å; H31-C34 WeakPolarHBondContact O-CB 3.35Å; H31-C34 PolarHBondContact O-N 3.37Å
32	G	89.3	Confident	89.5	Confident	3 Å²	3	54 Å²	54	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-54.6	-41.4	-176	0	0	0	0	0	113.1	F19 F30 C34 V35 G36 V37	F19-G32 PolarHBondContact O-N 3.01Å; F30-G32 PolarHBondContact O-N 3.3Å; G32-C34 VanDerWaalsContact C-N 3.27Å; G32-C34 PolarHBondContact O-N 3.2Å; G32-V35 WeakPolarHBondContact O-CG2 3.44Å; G32-V35 PolarHBondContact O-N 3.43Å; G32-V35 VanDerWaalsContact O-N 3.08Å; G32-G36 PolarHBondContact O-N 3.15Å; G32-V37 CarbonylContact C-O 3.55Å; G32-V37 VanDerWaalsContact C-O 3.26Å; G32-V37 WeakPolarHBondContact CA-O 3.43Å; G32-V37 PolarHBondContact O-N 2.85Å
33	S	88.7	Confident	88.9	Confident	99 Å²	99	54.5 Å²	54.5	69%	0.692	32%	0.319	S	S	*	.	H	α-helix	trans	-57.4	-31	173.7	58	0	0	0	0	114.6	H31	H31-S33 PolarHBondContact O-N 2.9Å
34	C	89.9	Confident	88.3	Confident	46 Å²	46	58 Å²	58	31%	0.311	34%	0.338	S	S	.	.	H	α-helix	trans	-82	-13.8	178.8	-70.2	0	0	0	0	113.3	C8 I9 H31 G32	C8-C34 WeakPolarHBondContact SG-CB 3.45Å; I9-C34 HydrophobicContact CD1-CB 4.34Å; I9-C34 VanDerWaalsContact CD1-O 3.28Å; I9-C34 WeakPolarHBondContact CD1-O 3.35Å; I9-C34 HydrophobicContact CG1-CB 4.14Å; H31-C34 HydrophobicContact CB-CB 4.26Å; H31-C34 WeakPolarHBondContact O-CB 3.35Å; H31-C34 PolarHBondContact O-N 3.37Å; G32-C34 VanDerWaalsContact C-N 3.27Å; G32-C34 PolarHBondContact O-N 3.2Å
35	V	91.8	Very high	88	Confident	25 Å²	25	55.3 Å²	55.3	15%	0.152	32%	0.323	C	S	.	.	H	α-helix	trans	-125.9	-3.1	-174.7	-65.8	0	0	0	0	114.3	F30 G32 V37 Y48 P51	F30-V35 HydrophobicContact CB-CG1 3.73Å; F30-V35 HydrophobicContact CB-CG2 4.15Å; F30-V35 HydrophobicContact CD1-CG1 3.81Å; F30-V35 HydrophobicContact CG-CG1 4.02Å; G32-V35 WeakPolarHBondContact O-CG2 3.44Å; G32-V35 PolarHBondContact O-N 3.43Å; G32-V35 VanDerWaalsContact O-N 3.08Å; V35-V37 HydrophobicContact CG2-CB 4.17Å; V35-V37 HydrophobicContact CG2-CG2 4Å; V35-Y48 WeakPolarHBondContact CB-OH 3.37Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.34Å; V35-Y48 VanDerWaalsContact CG2-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.42Å; V35-P51 HydrophobicContact CG1-CG 4.39Å
36	G	86.6	Confident	87.8	Confident	69 Å²	69	58 Å²	58	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	38.6	-178.2	0	0	0	0	0	112.8	G32	G32-G36 PolarHBondContact O-N 3.15Å
37	V	88.3	Confident	87.6	Confident	15 Å²	15	58.2 Å²	58.2	9%	0.091	33%	0.329	C	S	.	.			trans	-119	112.7	171.4	178.3	0	0	0	0	107.8	F19 I21 G32 V35 I45 Y48	F19-V37 HydrophobicContact CE1-CG1 4.19Å; F19-V37 WeakPolarHBondContact CE1-O 3.38Å; F19-V37 HydrophobicContact CZ-CG1 4.5Å; I21-V37 HydrophobicContact CD1-CG1 4.22Å; G32-V37 CarbonylContact C-O 3.55Å; G32-V37 VanDerWaalsContact C-O 3.26Å; G32-V37 WeakPolarHBondContact CA-O 3.43Å; G32-V37 PolarHBondContact O-N 2.85Å; V35-V37 HydrophobicContact CG2-CB 4.17Å; V35-V37 HydrophobicContact CG2-CG2 4Å; V37-I45 HydrophobicContact CG1-CD1 3.7Å; V37-I45 HydrophobicContact CG2-CD1 4.41Å; V37-Y48 HydrophobicContact CG2-CD2 4.34Å; V37-Y48 HydrophobicContact CG2-CE2 3.76Å
38	D	83.3	Confident	87.7	Confident	103 Å²	103	53.3 Å²	53.3	55%	0.551	31%	0.307	S	S	*	.			trans	-74.2	150.2	173.9	-56.1	-40.5	0	0	0	110.2	D40 D41 A42	D38-D40 PolarHBondContact O-N 3.25Å; D38-D41 PolarHBondContact O-N 2.9Å; D38-A42 PolarHBondContact O-N 3.27Å
39	E	83.7	Confident	87.7	Confident	138 Å²	138	53 Å²	53	65%	0.645	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.6	174.9	-174.2	168.7	-173.8	0	0	111.5	F19 D41 A42 P43	F19-E39 HydrophobicContact CB-CB 4Å; F19-E39 HydrophobicContact CB-CG 4.14Å; F19-E39 HydrophobicContact CD1-CB 3.87Å; F19-E39 HydrophobicContact CD2-CB 4.03Å; F19-E39 HydrophobicContact CD2-CG 3.77Å; F19-E39 HydrophobicContact CE1-CB 4.46Å; F19-E39 HydrophobicContact CE2-CG 4.42Å; F19-E39 HydrophobicContact CG-CB 3.65Å; F19-E39 HydrophobicContact CG-CG 3.85Å; E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 2.92Å; E39-A42 PolarHBondContact O-N 2.58Å; E39-P43 VanDerWaalsContact O-CD 3.25Å; E39-P43 WeakPolarHBondContact O-CD 3.5Å
40	D	75.6	Confident	87.6	Confident	59 Å²	59	48 Å²	48	32%	0.316	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.1	174.4	-102.7	-47.7	0	0	0	115.3	D38 K166	D38-D40 PolarHBondContact O-N 3.25Å; D40-K166 PolarHBondContact O-NZ 3.11Å; D40-K166 IonicContact OD1-NZ 2.71Å; D40-K166 PolarHBondContact OD1-NZ 2.83Å
41	D	79.5	Confident	87.5	Confident	48 Å²	48	50.2 Å²	50.2	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-22.6	-179.2	-89.9	25.9	0	0	0	111.8	D38 E39 D44 I45 K188	D38-D41 PolarHBondContact O-N 2.9Å; E39-D41 VanDerWaalsContact C-N 3.3Å; E39-D41 PolarHBondContact O-N 2.92Å; D41-D44 PolarHBondContact O-N 3.49Å; D41-I45 PolarHBondContact O-N 2.83Å; D41-K188 WeakPolarHBondContact OD1-CE 3.29Å; D41-K188 IonicContact OD1-NZ 3.6Å; D41-K188 PolarHBondContact OD1-NZ 3.17Å
42	A	84.9	Confident	87.5	Confident	23 Å²	23	54.9 Å²	54.9	19%	0.19	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-55.7	-40.2	-179.1	0	0	0	0	0	114.4	F19 I21 D38 E39 D44 I45	F19-A42 HydrophobicContact CE1-CB 4.35Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.4Å; I21-A42 HydrophobicContact CD1-CB 4.36Å; D38-A42 PolarHBondContact O-N 3.27Å; E39-A42 PolarHBondContact O-N 2.58Å; A42-D44 VanDerWaalsContact C-N 3.25Å; A42-D44 PolarHBondContact O-N 3.39Å; A42-I45 PolarHBondContact O-N 3.06Å
43	P	83	Confident	87.7	Confident	84 Å²	84	55.4 Å²	55.4	55%	0.545	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-64.5	-25.6	175.6	-23.5	35.1	0	0	0	114.1	E39 K63	E39-P43 VanDerWaalsContact O-CD 3.25Å; E39-P43 WeakPolarHBondContact O-CD 3.5Å; P43-K63 WeakPolarHBondContact O-CD 3.25Å; P43-K63 PolarHBondContact O-NZ 3.49Å
44	D	81.9	Confident	87.8	Confident	73 Å²	73	54 Å²	54	39%	0.39	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-85.6	-11	178.2	-102.5	-7.7	0	0	0	112.3	D41 A42 L62 K63 K65	D41-D44 PolarHBondContact O-N 3.49Å; A42-D44 VanDerWaalsContact C-N 3.25Å; A42-D44 PolarHBondContact O-N 3.39Å; D44-L62 CarbonylContact O-C 3.52Å; D44-L62 WeakPolarHBondContact O-CA 3.35Å; D44-K63 PolarHBondContact O-N 3.06Å; D44-K65 IonicContact OD2-NZ 2.95Å
45	I	88	Confident	87.9	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.092	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134	174.2	-59.7	168.3	0	0	0	110.3	I21 V37 D41 A42 Y48 L62 K63	I21-I45 HydrophobicContact CD1-CD1 3.88Å; V37-I45 HydrophobicContact CG1-CD1 3.7Å; V37-I45 HydrophobicContact CG2-CD1 4.41Å; D41-I45 PolarHBondContact O-N 2.83Å; A42-I45 PolarHBondContact O-N 3.06Å; I45-Y48 HydrophobicContact CD1-CD2 4.45Å; I45-L62 HydrophobicContact CG1-CD2 3.84Å; I45-K63 PolarHBondContact O-NZ 3.17Å
46	D	86.9	Confident	87.9	Confident	93 Å²	93	63.1 Å²	63.1	50%	0.497	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-47.7	177.5	-145.7	10.9	0	0	0	110.6	T61 K63	D46-T61 WeakPolarHBondContact CA-O 3.44Å; D46-T61 VanDerWaalsContact CB-O 3.25Å; D46-T61 WeakPolarHBondContact CB-O 3.28Å; D46-T61 PolarHBondContact N-O 3.35Å; D46-K63 HydrophobicContact CB-CB 4.39Å; D46-K63 HydrophobicContact CB-CG 3.73Å
47	I	89.8	Confident	87.9	Confident	65 Å²	65	65 Å²	65	33%	0.333	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	115.8	178.1	-52	178.6	0	0	0	106.8	D24 S60 T61	D24-I47 HydrophobicContact CB-CG2 3.46Å; D24-I47 VanDerWaalsContact CB-CG2 3.46Å; I47-S60 CarbonylContact O-C 3.48Å; I47-S60 WeakPolarHBondContact O-CA 3.38Å; I47-S60 WeakPolarHBondContact O-CB 3.31Å; I47-T61 WeakPolarHBondContact CB-OG1 3.14Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.44Å; I47-T61 PolarHBondContact N-O 3.11Å; I47-T61 VanDerWaalsContact N-O 3.15Å; I47-T61 PolarHBondContact O-N 3.33Å
48	Y	94.5	Very high	87.9	Confident	14 Å²	14	66 Å²	66	6%	0.055	36%	0.356	C	S	.	.			trans	-90.7	130.7	176.8	176.7	-115.9	0	0	0	111.1	I21 E22 C23 D24 F30 V35 V37 I45 C50 S60	I21-Y48 HydrophobicContact CB-CD1 4.33Å; I21-Y48 HydrophobicContact CD1-CD1 4.16Å; I21-Y48 HydrophobicContact CD1-CD2 4.16Å; I21-Y48 HydrophobicContact CD1-CG 3.74Å; I21-Y48 HydrophobicContact CG1-CD1 3.83Å; I21-Y48 HydrophobicContact CG1-CG 3.92Å; I21-Y48 HydrophobicContact CG2-CD1 3.77Å; I21-Y48 HydrophobicContact CG2-CE1 3.66Å; I21-Y48 HydrophobicContact CG2-CG 4.29Å; E22-Y48 WeakPolarHBondContact O-CD1 3.42Å; C23-Y48 CarbonylContact C-O 3.54Å; C23-Y48 WeakPolarHBondContact CA-O 3.32Å; C23-Y48 HydrophobicContact CB-CD1 4.18Å; C23-Y48 HydrophobicContact CB-CE1 4.27Å; D24-Y48 PolarHBondContact N-O 3.34Å; F30-Y48 HydrophobicContact CB-CE1 4.44Å; F30-Y48 HydrophobicContact CD2-CE1 4.08Å; F30-Y48 HydrophobicContact CG-CE1 4.46Å; V35-Y48 WeakPolarHBondContact CB-OH 3.37Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.34Å; V35-Y48 VanDerWaalsContact CG2-OH 3.27Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.42Å; V37-Y48 HydrophobicContact CG2-CD2 4.34Å; V37-Y48 HydrophobicContact CG2-CE2 3.76Å; I45-Y48 HydrophobicContact CD1-CD2 4.45Å; Y48-C50 HydrophobicContact CE1-CB 4.13Å; Y48-C50 WeakPolarHBondContact OH-CA 3.42Å; Y48-S60 WeakPolarHBondContact CD2-OG 3.46Å
49	H	94.2	Very high	88.2	Confident	21 Å²	21	68.3 Å²	68.3	10%	0.097	36%	0.362	C	S	.	.			trans	-117.8	125.4	168.6	-64.5	157.7	0	0	0	109.6	C53 H57 G58 S60	H49-C53 HydrophobicContact CB-CB 4.29Å; H49-H57 VanDerWaalsContact CE1-CB 3.48Å; H49-H57 WeakPolarHBondContact CE1-CB 3.2Å; H49-H57 PolarHBondContact CE1-O 3Å; H49-G58 PolarHBondContact ND1-O 3.24Å; H49-S60 PolarHBondContact N-OG 3.47Å; H49-S60 PolarHBondContact O-OG 2.9Å
50	C	93.5	Very high	88.5	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.02	34%	0.344	C	S	.	.			trans	-69.4	163.5	177.7	75	0	0	0	0	112.3	C23 F30 Y48 N52 C53 E54	C23-C50 HydrophobicContact CB-CB 4.03Å; C23-C50 PolarHBondContact SG-N 3.46Å; F30-C50 HydrophobicContact CD1-CB 4.24Å; F30-C50 HydrophobicContact CD2-CB 3.94Å; F30-C50 HydrophobicContact CE1-CB 3.91Å; F30-C50 HydrophobicContact CE2-CB 3.58Å; F30-C50 HydrophobicContact CG-CB 4.28Å; F30-C50 HydrophobicContact CZ-CB 3.58Å; Y48-C50 HydrophobicContact CE1-CB 4.13Å; Y48-C50 WeakPolarHBondContact OH-CA 3.42Å; C50-N52 CarbonylContact O-C 3.55Å; C50-N52 PolarHBondContact O-N 2.99Å; C50-C53 PolarHBondContact O-N 3.19Å; C50-E54 PolarHBondContact O-N 3.16Å
51	P	92.2	Very high	89	Confident	53 Å²	53	63.8 Å²	63.8	34%	0.344	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-7.6	-176.9	-27.3	36.1	0	0	0	116.6	V35 K55	V35-P51 HydrophobicContact CG1-CG 4.39Å; P51-K55 WeakPolarHBondContact O-CE 3.42Å; P51-K55 PolarHBondContact O-NZ 3.43Å
52	N	92.1	Very high	89.3	Confident	100 Å²	100	66.5 Å²	66.5	54%	0.535	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-47.6	169.1	-70	-32.7	0	0	0	111.6	C50 E54 K55	C50-N52 CarbonylContact O-C 3.55Å; C50-N52 PolarHBondContact O-N 2.99Å; N52-E54 VanDerWaalsContact C-N 3.34Å; N52-E54 PolarHBondContact O-N 2.76Å; N52-K55 PolarHBondContact O-N 2.95Å; N52-K55 PolarHBondContact OD1-NZ 2.94Å
53	C	93.4	Very high	89.2	Confident	14 Å²	14	70.1 Å²	70.1	10%	0.095	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-25.9	177.6	-66.8	0	0	0	0	113.6	A25 H49 C50 K55 T56 H57	A25-C53 HydrophobicContact CB-CB 3.78Å; H49-C53 HydrophobicContact CB-CB 4.29Å; C50-C53 PolarHBondContact O-N 3.19Å; C53-K55 PolarHBondContact O-N 3.31Å; C53-K55 VanDerWaalsContact O-N 3.11Å; C53-T56 PolarHBondContact O-N 3.26Å; C53-T56 PolarHBondContact O-OG1 2.88Å; C53-H57 PolarHBondContact O-CD2 3.35Å; C53-H57 PolarHBondContact O-N 2.54Å
54	E	91.4	Very high	88.3	Confident	70 Å²	70	75.3 Å²	75.3	33%	0.327	39%	0.387	S	S	.	.	H	α-helix	trans	-52.2	-35	173.6	177.7	179.1	169.4	0	0	112.1	C50 N52 T56 G58 K59	C50-E54 PolarHBondContact O-N 3.16Å; N52-E54 VanDerWaalsContact C-N 3.34Å; N52-E54 PolarHBondContact O-N 2.76Å; E54-T56 VanDerWaalsContact C-N 3.3Å; E54-T56 PolarHBondContact O-N 3.2Å; E54-G58 WeakPolarHBondContact CA-O 3.38Å; E54-G58 CarbonylContact O-C 3.59Å; E54-G58 WeakPolarHBondContact O-CA 3.1Å; E54-G58 PolarHBondContact O-N 3.49Å; E54-K59 HydrophobicContact CG-CG 4.09Å; E54-K59 WeakPolarHBondContact OE1-CG 3.38Å; E54-K59 IonicContact OE1-NZ 3.61Å; E54-K59 PolarHBondContact OE1-NZ 3.06Å
55	K	90.9	Very high	87.1	Confident	154 Å²	154	79.6 Å²	79.6	67%	0.67	40%	0.402	S	S	*	.	H	α-helix	trans	-72.6	-20	-177.1	-62.1	160.6	-177.6	144.4	0	113.4	P51 N52 C53	P51-K55 WeakPolarHBondContact O-CE 3.42Å; P51-K55 PolarHBondContact O-NZ 3.43Å; N52-K55 PolarHBondContact O-N 2.95Å; N52-K55 PolarHBondContact OD1-NZ 2.94Å; C53-K55 PolarHBondContact O-N 3.31Å; C53-K55 VanDerWaalsContact O-N 3.11Å
56	T	91.9	Very high	85	Confident	108 Å²	108	87 Å²	87	66%	0.663	43%	0.433	S	S	*	.	H	α-helix	trans	-117.7	-29.6	-176.4	51.9	0	0	0	0	113.7	C53 E54	C53-T56 PolarHBondContact O-N 3.26Å; C53-T56 PolarHBondContact O-OG1 2.88Å; E54-T56 VanDerWaalsContact C-N 3.3Å; E54-T56 PolarHBondContact O-N 3.2Å
57	H	86.5	Confident	82.5	Confident	110 Å²	110	89.9 Å²	89.9	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-111.6	-1.2	-178.9	-54.8	-84.9	0	0	0	113.3	A25 H49 C53	A25-H57 HydrophobicContact CB-CB 4.37Å; A25-H57 VanDerWaalsContact CB-CD2 3.49Å; A25-H57 WeakPolarHBondContact CB-CD2 3.41Å; H49-H57 VanDerWaalsContact CE1-CB 3.48Å; H49-H57 WeakPolarHBondContact CE1-CB 3.2Å; H49-H57 PolarHBondContact CE1-O 3Å; C53-H57 PolarHBondContact O-CD2 3.35Å; C53-H57 PolarHBondContact O-N 2.54Å
58	G	88.7	Confident	80.6	Confident	34 Å²	34	96.1 Å²	96.1	35%	0.351	47%	0.468	S	S	.	.			trans	81	177.2	-175.9	0	0	0	0	0	113.2	H49 E54	H49-G58 PolarHBondContact ND1-O 3.24Å; E54-G58 WeakPolarHBondContact CA-O 3.38Å; E54-G58 CarbonylContact O-C 3.59Å; E54-G58 WeakPolarHBondContact O-CA 3.1Å; E54-G58 PolarHBondContact O-N 3.49Å
59	K	89.6	Confident	77.9	Confident	153 Å²	153	100.2 Å²	100.2	67%	0.665	50%	0.499	S	S	*	.	S	Bend	trans	-63.4	147.3	-178.4	-69.2	-176.2	176.7	-66.1	0	112.3	E54 T61	E54-K59 HydrophobicContact CG-CG 4.09Å; E54-K59 WeakPolarHBondContact OE1-CG 3.38Å; E54-K59 IonicContact OE1-NZ 3.61Å; E54-K59 PolarHBondContact OE1-NZ 3.06Å; K59-T61 PolarHBondContact O-N 2.94Å
60	S	89.9	Confident	75.3	Confident	38 Å²	38	108.3 Å²	108.3	27%	0.266	53%	0.534	S	S	.	.			trans	-45.9	129.4	167.8	-51.6	0	0	0	0	111.1	I47 Y48 H49	I47-S60 CarbonylContact O-C 3.48Å; I47-S60 WeakPolarHBondContact O-CA 3.38Å; I47-S60 WeakPolarHBondContact O-CB 3.31Å; Y48-S60 WeakPolarHBondContact CD2-OG 3.46Å; H49-S60 PolarHBondContact N-OG 3.47Å; H49-S60 PolarHBondContact O-OG 2.9Å
61	T	87.1	Confident	72.6	Confident	63 Å²	63	116.2 Å²	116.2	39%	0.387	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	125.4	178.4	57.6	0	0	0	0	109.7	D46 I47 K59	D46-T61 WeakPolarHBondContact CA-O 3.44Å; D46-T61 VanDerWaalsContact CB-O 3.25Å; D46-T61 WeakPolarHBondContact CB-O 3.28Å; D46-T61 PolarHBondContact N-O 3.35Å; I47-T61 WeakPolarHBondContact CB-OG1 3.14Å; I47-T61 WeakPolarHBondContact CG1-OG1 3.44Å; I47-T61 PolarHBondContact N-O 3.11Å; I47-T61 VanDerWaalsContact N-O 3.15Å; I47-T61 PolarHBondContact O-N 3.33Å; K59-T61 PolarHBondContact O-N 2.94Å
62	L	83.9	Confident	69.5	Low	106 Å²	106	119.3 Å²	119.3	56%	0.555	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.6	149.3	168.6	-60	179.3	0	0	0	110.2	D44 I45 K64	D44-L62 CarbonylContact O-C 3.52Å; D44-L62 WeakPolarHBondContact O-CA 3.35Å; I45-L62 HydrophobicContact CG1-CD2 3.84Å; L62-K64 PolarHBondContact O-N 3.05Å
63	K	83.1	Confident	67.1	Low	98 Å²	98	120.6 Å²	120.6	43%	0.426	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-55.2	134.2	175.6	-71.7	-171.5	174.3	88	0	108.8	P43 D44 I45 D46 K65	P43-K63 WeakPolarHBondContact O-CD 3.25Å; P43-K63 PolarHBondContact O-NZ 3.49Å; D44-K63 PolarHBondContact O-N 3.06Å; I45-K63 PolarHBondContact O-NZ 3.17Å; D46-K63 HydrophobicContact CB-CB 4.39Å; D46-K63 HydrophobicContact CB-CG 3.73Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.27Å
64	K	65.8	Low	64.8	Low	194 Å²	194	122.6 Å²	122.6	84%	0.843	62%	0.618	S	S	*	*			trans	-65.7	88.1	-179.7	-74	178.2	-178.1	167.9	0	110.5	L62 K66	L62-K64 PolarHBondContact O-N 3.05Å; K64-K66 PolarHBondContact O-N 2.84Å
65	K	55.4	Low	62.5	Low	162 Å²	162	128.5 Å²	128.5	70%	0.704	65%	0.646	S	S	*	*			trans	-49.1	106.6	169.8	-141.8	156.9	-166.9	139.8	0	107.2	D44 K63 N67	D44-K65 IonicContact OD2-NZ 2.95Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 3.27Å; K65-N67 PolarHBondContact O-N 3.35Å
66	K	44.8	Very low	59.9	Low	173 Å²	173	124.4 Å²	124.4	75%	0.752	64%	0.636	S	S	*	*			trans	-55.3	111.9	-173.8	-93.3	-169.7	174.1	-174	0	108.4	K64 W68	K64-K66 PolarHBondContact O-N 2.84Å; K66-W68 PolarHBondContact O-N 3.49Å
67	N	34.2	Very low	57.4	Low	154 Å²	154	126.5 Å²	126.5	82%	0.824	65%	0.649	S	S	*	*			trans	-61.8	113.1	-179.5	-91.5	-20.1	0	0	0	109.7	K65 S69	K65-N67 PolarHBondContact O-N 3.35Å; N67-S69 PolarHBondContact O-N 3.35Å
68	W	49.9	Very low	55.3	Low	197 Å²	197	126 Å²	126	75%	0.746	65%	0.65	S	S	*	*			trans	-70.6	74.2	169.1	-85.5	40.1	0	0	0	110.2	K66 V88	K66-W68 PolarHBondContact O-N 3.49Å; W68-V88 HydrophobicContact CD2-CG2 4.2Å; W68-V88 HydrophobicContact CE3-CG1 4.37Å; W68-V88 HydrophobicContact CE3-CG2 3.78Å; W68-V88 HydrophobicContact CH2-CB 4.42Å; W68-V88 HydrophobicContact CH2-CG1 3.79Å; W68-V88 HydrophobicContact CH2-CG2 3.91Å; W68-V88 HydrophobicContact CZ2-CG2 4.3Å; W68-V88 HydrophobicContact CZ3-CB 4.23Å; W68-V88 HydrophobicContact CZ3-CG1 3.5Å; W68-V88 VanDerWaalsContact CZ3-CG1 3.5Å; W68-V88 HydrophobicContact CZ3-CG2 3.63Å
69	S	38.3	Very low	54	Low	99 Å²	99	132.4 Å²	132.4	69%	0.692	68%	0.675	S	S	*	*			trans	-168.9	128	165.8	-87.1	0	0	0	0	113.1	N67	N67-S69 PolarHBondContact O-N 3.35Å
70	K	38.3	Very low	52.9	Low	191 Å²	191	134.4 Å²	134.4	83%	0.83	68%	0.678	S	S	*	*	S	Bend	trans	75	113	164.8	-58.5	-176.7	179.2	-176.3	0	117.3
71	H	36.7	Very low	52.4	Low	169 Å²	169	134.8 Å²	134.8	78%	0.782	68%	0.684	S	S	*	*			trans	58.3	70.1	162.6	-57.5	-74.4	0	0	0	117.8
72	D	27.9	Very low	52.4	Low	119 Å²	119	133.7 Å²	133.7	64%	0.636	68%	0.676	S	S	*	*			trans	-88.3	99.9	142.8	-165.5	-32.2	0	0	0	107.6	G74	D72-G74 PolarHBondContact O-N 2.98Å; D72-G74 VanDerWaalsContact O-N 3.15Å; D72-G74 PolarHBondContact OD1-N 2.9Å
73	T	40.4	Very low	52.7	Low	127 Å²	127	132.8 Å²	132.8	78%	0.779	67%	0.669	S	S	*	*			trans	-90.4	59.2	179.8	-47.8	0	0	0	0	109.9
74	G	45.2	Very low	53.1	Low	55 Å²	55	128.3 Å²	128.3	57%	0.567	65%	0.65	S	S	*	*	S	Bend	trans	70.8	78.4	161.1	0	0	0	0	0	116.7	D72	D72-G74 PolarHBondContact O-N 2.98Å; D72-G74 VanDerWaalsContact O-N 3.15Å; D72-G74 PolarHBondContact OD1-N 2.9Å
75	Q	44.4	Very low	54.3	Low	195 Å²	195	119 Å²	119	91%	0.911	61%	0.61	S	S	*	*			trans	-161.8	65	137.6	-110.6	160.8	53	0	0	113.5
76	S	35.7	Very low	56	Low	68 Å²	68	112.4 Å²	112.4	48%	0.476	58%	0.584	S	S	.	*			trans	-147.1	95.1	165.2	-163.9	0	0	0	0	110.6	D78	S76-D78 PolarHBondContact O-N 3.12Å
77	T	39.4	Very low	58.2	Low	152 Å²	152	108 Å²	108	93%	0.933	57%	0.566	S	S	*	*			trans	-87.7	43.3	-179.7	53.8	0	0	0	0	112.3
78	D	42	Very low	61	Low	98 Å²	98	102.5 Å²	102.5	52%	0.524	54%	0.538	S	S	.	.			trans	-122.4	65.7	178.2	-165.6	41.2	0	0	0	109.4	S76 R80	S76-D78 PolarHBondContact O-N 3.12Å; D78-R80 PolarHBondContact O-N 3.06Å; D78-R80 IonicContact OD2-CZ 3.53Å; D78-R80 IonicContact OD2-NE 2.79Å; D78-R80 PolarHBondContact OD2-NE 3.19Å; D78-R80 IonicContact OD2-NH2 2.91Å; D78-R80 PolarHBondContact OD2-NH2 3Å
79	I	61.7	Low	63.2	Low	170 Å²	170	93.3 Å²	93.3	87%	0.872	50%	0.503	S	S	*	.			trans	-74.5	81.4	176.5	-53.1	177.6	0	0	0	108.1	A81	I79-A81 PolarHBondContact O-N 3.21Å
80	R	65.9	Low	65.9	Low	195 Å²	195	88.7 Å²	88.7	74%	0.736	47%	0.471	S	S	*	.			trans	-59.9	135.6	174.8	-63.5	-174.6	-178.2	-154.5	-6.2	110.2	D78	D78-R80 PolarHBondContact O-N 3.06Å; D78-R80 IonicContact OD2-CZ 3.53Å; D78-R80 IonicContact OD2-NE 2.79Å; D78-R80 PolarHBondContact OD2-NE 3.19Å; D78-R80 IonicContact OD2-NH2 2.91Å; D78-R80 PolarHBondContact OD2-NH2 3Å
81	A	80.3	Confident	68.6	Low	46 Å²	46	86.7 Å²	86.7	38%	0.38	46%	0.462	S	S	.	.			trans	-61.8	149.9	178.8	0	0	0	0	0	111.5	I79 Q83 E292	I79-A81 PolarHBondContact O-N 3.21Å; A81-Q83 PolarHBondContact O-N 3.09Å; A81-E292 HydrophobicContact CB-CB 3.74Å; A81-E292 HydrophobicContact CB-CG 3.9Å
82	V	88.2	Confident	71.4	Confident	39 Å²	39	81.9 Å²	81.9	24%	0.236	44%	0.44	C	S	.	.			trans	-80.7	111.5	-176.5	-177.9	0	0	0	0	109.1	V88 F89	V82-V88 HydrophobicContact CG1-CB 3.89Å; V82-V88 HydrophobicContact CG1-CG1 3.77Å; V82-V88 HydrophobicContact CG2-CG1 4.07Å; V82-F89 HydrophobicContact CG1-CB 3.83Å
83	Q	89.6	Confident	74.6	Confident	87 Å²	87	76.3 Å²	76.3	41%	0.407	41%	0.41	S	S	.	.			trans	-63.4	134.9	178.2	-59.6	-66.4	-21.9	0	0	111.5	A81 S86 F89 G291 E292	A81-Q83 PolarHBondContact O-N 3.09Å; Q83-S86 WeakPolarHBondContact O-CB 3.42Å; Q83-S86 PolarHBondContact O-N 3.09Å; Q83-S86 VanDerWaalsContact O-N 3.15Å; Q83-S86 PolarHBondContact O-OG 3.49Å; Q83-F89 VanDerWaalsContact O-CB 3.31Å; Q83-F89 WeakPolarHBondContact O-CB 3.39Å; Q83-G291 CarbonylContact C-O 3.59Å; Q83-G291 WeakPolarHBondContact CA-O 2.94Å; Q83-G291 PolarHBondContact OE1-O 2.77Å; Q83-E292 PolarHBondContact NE2-OE1 3.05Å
84	N	90.8	Very high	77.2	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.021	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	141.4	174.8	-66.4	-12.2	0	0	0	110.1	S86 F89 Q167 Y245 D247 G291 M293	N84-S86 PolarHBondContact O-N 3.43Å; N84-F89 HydrophobicContact CB-CD2 4.46Å; N84-F89 HydrophobicContact CB-CE2 4.2Å; N84-F89 HydrophobicContact CB-CZ 4.24Å; N84-F89 WeakPolarHBondContact OD1-CE2 3.4Å; N84-Q167 WeakPolarHBondContact O-CG 3.18Å; N84-Y245 HydrophobicContact CB-CE1 4.31Å; N84-D247 PolarHBondContact ND2-OD2 3.24Å; N84-G291 WeakPolarHBondContact CB-O 3.49Å; N84-G291 VanDerWaalsContact CG-O 3.22Å; N84-G291 PolarHBondContact N-O 3.23Å; N84-G291 PolarHBondContact OD1-O 3.37Å; N84-M293 PolarHBondContact ND2-O 3.44Å
85	G	90.8	Very high	79.5	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-11.8	-173.6	0	0	0	0	0	116.1	V164	G85-V164 CarbonylContact C-O 3.44Å; G85-V164 WeakPolarHBondContact CA-O 3.23Å
86	S	92.2	Very high	82	Confident	23 Å²	23	70.7 Å²	70.7	16%	0.161	36%	0.363	C	S	.	.	S	Bend	trans	-65	155.3	176.2	73.2	0	0	0	0	113.3	Q83 N84 V88 F89 I90	Q83-S86 WeakPolarHBondContact O-CB 3.42Å; Q83-S86 PolarHBondContact O-N 3.09Å; Q83-S86 VanDerWaalsContact O-N 3.15Å; Q83-S86 PolarHBondContact O-OG 3.49Å; N84-S86 PolarHBondContact O-N 3.43Å; S86-V88 PolarHBondContact O-N 3.21Å; S86-F89 WeakPolarHBondContact O-CA 3.34Å; S86-F89 WeakPolarHBondContact O-CB 3.45Å; S86-F89 PolarHBondContact O-N 3.23Å; S86-F89 WeakPolarHBondContact OG-CB 3.24Å; S86-F89 PolarHBondContact OG-N 3.05Å; S86-I90 WeakPolarHBondContact O-CG1 3.19Å; S86-I90 PolarHBondContact O-N 2.91Å
87	Q	90.9	Very high	84.8	Confident	80 Å²	80	74.2 Å²	74.2	37%	0.374	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.8	178.8	-70.9	-64.5	-51.8	0	0	114.8	K91 T165	Q87-K91 WeakPolarHBondContact O-CD 3.12Å; Q87-K91 WeakPolarHBondContact O-CG 3.22Å; Q87-T165 HydrophobicContact CG-CG2 4.31Å
88	V	92.7	Very high	87.6	Confident	39 Å²	39	68.8 Å²	68.8	24%	0.236	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-52.4	167.8	177.6	0	0	0	0	109.3	W68 V82 S86 I90 K91 E92	W68-V88 HydrophobicContact CD2-CG2 4.2Å; W68-V88 HydrophobicContact CE3-CG1 4.37Å; W68-V88 HydrophobicContact CE3-CG2 3.78Å; W68-V88 HydrophobicContact CH2-CB 4.42Å; W68-V88 HydrophobicContact CH2-CG1 3.79Å; W68-V88 HydrophobicContact CH2-CG2 3.91Å; W68-V88 HydrophobicContact CZ2-CG2 4.3Å; W68-V88 HydrophobicContact CZ3-CB 4.23Å; W68-V88 HydrophobicContact CZ3-CG1 3.5Å; W68-V88 VanDerWaalsContact CZ3-CG1 3.5Å; W68-V88 HydrophobicContact CZ3-CG2 3.63Å; V82-V88 HydrophobicContact CG1-CB 3.89Å; V82-V88 HydrophobicContact CG1-CG1 3.77Å; V82-V88 HydrophobicContact CG2-CG1 4.07Å; S86-V88 PolarHBondContact O-N 3.21Å; V88-I90 VanDerWaalsContact C-N 3.31Å; V88-I90 PolarHBondContact O-N 3.13Å; V88-K91 WeakPolarHBondContact O-CB 3.28Å; V88-K91 PolarHBondContact O-N 3.03Å; V88-E92 PolarHBondContact O-N 2.88Å
89	F	95.2	Very high	90.2	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-51.2	-46.2	176.2	174.7	-94.8	0	0	0	112.8	V82 Q83 N84 S86 K91 E92 L93 Y245 F294	V82-F89 HydrophobicContact CG1-CB 3.83Å; Q83-F89 VanDerWaalsContact O-CB 3.31Å; Q83-F89 WeakPolarHBondContact O-CB 3.39Å; N84-F89 HydrophobicContact CB-CD2 4.46Å; N84-F89 HydrophobicContact CB-CE2 4.2Å; N84-F89 HydrophobicContact CB-CZ 4.24Å; N84-F89 WeakPolarHBondContact OD1-CE2 3.4Å; S86-F89 WeakPolarHBondContact O-CA 3.34Å; S86-F89 WeakPolarHBondContact O-CB 3.45Å; S86-F89 PolarHBondContact O-N 3.23Å; S86-F89 WeakPolarHBondContact OG-CB 3.24Å; S86-F89 PolarHBondContact OG-N 3.05Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.32Å; F89-E92 PolarHBondContact O-N 3.15Å; F89-L93 HydrophobicContact CD1-CD2 4.45Å; F89-L93 HydrophobicContact CE1-CB 4.41Å; F89-L93 HydrophobicContact CE1-CD2 3.68Å; F89-L93 HydrophobicContact CZ-CD2 4.1Å; F89-L93 VanDerWaalsContact O-CB 3.24Å; F89-L93 WeakPolarHBondContact O-CB 3.31Å; F89-L93 PolarHBondContact O-N 3.33Å; F89-Y245 AromaticContact CE1-CD1 3.7Å; F89-Y245 HydrophobicContact CE1-CD1 3.7Å; F89-Y245 AromaticContact CE1-CD2 3.99Å; F89-Y245 HydrophobicContact CE1-CD2 3.99Å; F89-Y245 AromaticContact CE1-CE1 3.51Å; F89-Y245 HydrophobicContact CE1-CE1 3.51Å; F89-Y245 AromaticContact CE1-CE2 3.81Å; F89-Y245 HydrophobicContact CE1-CE2 3.81Å; F89-Y245 AromaticContact CE1-CG 3.94Å; F89-Y245 HydrophobicContact CE1-CG 3.94Å; F89-Y245 AromaticContact CE1-CZ 3.57Å; F89-Y245 HydrophobicContact CZ-CD1 4.39Å; F89-Y245 AromaticContact CZ-CE1 3.73Å; F89-Y245 HydrophobicContact CZ-CE1 3.73Å; F89-Y245 HydrophobicContact CZ-CE2 4.08Å; F89-Y245 AromaticContact CZ-CZ 3.56Å; F89-F294 HydrophobicContact CE2-CB 4.32Å; F89-F294 AromaticContact CE2-CD2 3.51Å; F89-F294 HydrophobicContact CE2-CD2 3.51Å; F89-F294 HydrophobicContact CE2-CE2 4.12Å; F89-F294 HydrophobicContact CE2-CG 4.16Å; F89-F294 AromaticContact CZ-CD2 3.55Å; F89-F294 HydrophobicContact CZ-CD2 3.55Å; F89-F294 AromaticContact CZ-CE2 3.75Å; F89-F294 HydrophobicContact CZ-CE2 3.75Å
90	I	95.5	Very high	91.9	Very high	2 Å²	2	61 Å²	61	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-34.1	-179.9	-58.1	-65.4	0	0	0	111.9	S86 V88 R94 D243 Y245 L324	S86-I90 WeakPolarHBondContact O-CG1 3.19Å; S86-I90 PolarHBondContact O-N 2.91Å; V88-I90 VanDerWaalsContact C-N 3.31Å; V88-I90 PolarHBondContact O-N 3.13Å; I90-R94 HydrophobicContact CG2-CG 4.46Å; I90-R94 WeakPolarHBondContact O-CB 3.44Å; I90-R94 WeakPolarHBondContact O-CD 3.39Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.46Å; I90-D243 HydrophobicContact CG2-CB 4.02Å; I90-D243 VanDerWaalsContact CG2-OD1 3.23Å; I90-D243 WeakPolarHBondContact CG2-OD1 3.38Å; I90-Y245 HydrophobicContact CD1-CG 4.16Å; I90-L324 HydrophobicContact CD1-CD1 3.94Å; I90-L324 HydrophobicContact CG2-CD1 4.1Å
91	K	94.7	Very high	93.3	Very high	148 Å²	148	51.9 Å²	51.9	64%	0.643	28%	0.279	S	S	*	.	H	α-helix	trans	-69.8	-44.9	175.4	-69.3	173	-174.9	175.2	0	111.3	Q87 V88 F89 R94 S95	Q87-K91 WeakPolarHBondContact O-CD 3.12Å; Q87-K91 WeakPolarHBondContact O-CG 3.22Å; V88-K91 WeakPolarHBondContact O-CB 3.28Å; V88-K91 PolarHBondContact O-N 3.03Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.32Å; K91-R94 PolarHBondContact O-N 3.28Å; K91-S95 PolarHBondContact O-N 3.22Å; K91-S95 PolarHBondContact O-OG 2.75Å
92	E	95.2	Very high	94	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-53.3	172.8	-72.9	-172.2	-159.8	0	0	111.4	V88 F89 R94 S95 R96	V88-E92 PolarHBondContact O-N 2.88Å; F89-E92 PolarHBondContact O-N 3.15Å; E92-R94 VanDerWaalsContact C-N 3.26Å; E92-R94 PolarHBondContact O-N 2.89Å; E92-S95 CarbonylContact O-C 3.26Å; E92-S95 WeakPolarHBondContact O-CA 3.45Å; E92-S95 WeakPolarHBondContact O-CB 3.38Å; E92-S95 PolarHBondContact O-N 3.38Å; E92-S95 PolarHBondContact O-OG 3.46Å; E92-R96 WeakPolarHBondContact O-CG 3.35Å; E92-R96 PolarHBondContact O-N 2.96Å; E92-R96 IonicContact OE2-CZ 2.66Å; E92-R96 IonicContact OE2-NE 3.45Å; E92-R96 IonicContact OE2-NH2 2.63Å; E92-R96 PolarHBondContact OE2-NH2 3.13Å; E92-R96 VanDerWaalsContact OE2-NH2 3.13Å
93	L	96.3	Very high	94.2	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-37.4	-179	-179.6	60.6	0	0	0	112.9	F89 S95 F98 Y245 F269 F294 L324	F89-L93 HydrophobicContact CD1-CD2 4.45Å; F89-L93 HydrophobicContact CE1-CB 4.41Å; F89-L93 HydrophobicContact CE1-CD2 3.68Å; F89-L93 HydrophobicContact CZ-CD2 4.1Å; F89-L93 VanDerWaalsContact O-CB 3.24Å; F89-L93 WeakPolarHBondContact O-CB 3.31Å; F89-L93 PolarHBondContact O-N 3.33Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-F98 HydrophobicContact CD1-CE2 4.17Å; L93-F98 HydrophobicContact CD1-CZ 3.85Å; L93-Y245 HydrophobicContact CD2-CD2 3.66Å; L93-Y245 HydrophobicContact CD2-CE2 3.54Å; L93-F269 HydrophobicContact CD1-CE1 3.96Å; L93-F269 HydrophobicContact CD1-CE2 3.97Å; L93-F269 HydrophobicContact CD1-CZ 3.58Å; L93-F269 HydrophobicContact CD2-CE2 3.96Å; L93-F269 HydrophobicContact CD2-CZ 4.21Å; L93-F269 HydrophobicContact CG-CE2 4.16Å; L93-F269 HydrophobicContact CG-CZ 3.88Å; L93-F294 HydrophobicContact CD1-CE1 4.26Å; L93-F294 HydrophobicContact CD1-CE2 3.74Å; L93-F294 HydrophobicContact CD1-CZ 3.39Å; L93-L324 HydrophobicContact CD2-CB 4.38Å; L93-L324 HydrophobicContact CD2-CD2 4.22Å; L93-L324 HydrophobicContact CG-CD2 4.4Å
94	R	94.6	Very high	94.5	Very high	95 Å²	95	54.5 Å²	54.5	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-29.7	173.3	-76.6	172.5	172	-83.2	15.3	112.9	I90 K91 E92 D243 L324 P326	I90-R94 HydrophobicContact CG2-CG 4.46Å; I90-R94 WeakPolarHBondContact O-CB 3.44Å; I90-R94 WeakPolarHBondContact O-CD 3.39Å; I90-R94 WeakPolarHBondContact O-CG 3.49Å; I90-R94 PolarHBondContact O-N 3.46Å; K91-R94 PolarHBondContact O-N 3.28Å; E92-R94 VanDerWaalsContact C-N 3.26Å; E92-R94 PolarHBondContact O-N 2.89Å; R94-D243 IonicContact CZ-OD1 3.85Å; R94-D243 IonicContact NE-OD1 3.92Å; R94-D243 PolarHBondContact NE-OD1 3.49Å; R94-D243 IonicContact NH2-OD1 3.12Å; R94-D243 PolarHBondContact NH2-OD1 3.07Å; R94-D243 IonicContact NH2-OD2 3.76Å; R94-L324 HydrophobicContact CG-CD2 3.99Å; R94-P326 PolarHBondContact NH2-O 2.88Å
95	S	94.6	Very high	94.7	Very high	92 Å²	92	54.9 Å²	54.9	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-87.1	-24.9	177.9	73.9	0	0	0	0	114.5	K91 E92 L93	K91-S95 PolarHBondContact O-N 3.22Å; K91-S95 PolarHBondContact O-OG 2.75Å; E92-S95 CarbonylContact O-C 3.26Å; E92-S95 WeakPolarHBondContact O-CA 3.45Å; E92-S95 WeakPolarHBondContact O-CB 3.38Å; E92-S95 PolarHBondContact O-N 3.38Å; E92-S95 PolarHBondContact O-OG 3.46Å; L93-S95 VanDerWaalsContact C-N 3.32Å
96	R	95.4	Very high	95.1	Very high	73 Å²	73	57.2 Å²	57.2	28%	0.275	30%	0.304	S	S	.	.			trans	-63.3	137	-179.8	-76.6	176.1	-171.5	-131.1	6.9	111.7	E92 F98 D297	E92-R96 WeakPolarHBondContact O-CG 3.35Å; E92-R96 PolarHBondContact O-N 2.96Å; E92-R96 IonicContact OE2-CZ 2.66Å; E92-R96 IonicContact OE2-NE 3.45Å; E92-R96 IonicContact OE2-NH2 2.63Å; E92-R96 PolarHBondContact OE2-NH2 3.13Å; E92-R96 VanDerWaalsContact OE2-NH2 3.13Å; R96-F98 HydrophobicContact CB-CD2 4.35Å; R96-F98 HydrophobicContact CB-CE2 3.51Å; R96-F98 HydrophobicContact CB-CZ 3.92Å; R96-F98 VanDerWaalsContact O-CD2 3.3Å; R96-F98 WeakPolarHBondContact O-CD2 3.45Å; R96-F98 WeakPolarHBondContact O-CE2 3.11Å; R96-D297 IonicContact CZ-OD2 2.63Å; R96-D297 VanDerWaalsContact NH1-CG 3.26Å; R96-D297 IonicContact NH1-OD1 4Å; R96-D297 PolarHBondContact NH1-OD1 2.59Å; R96-D297 IonicContact NH1-OD2 3.33Å; R96-D297 PolarHBondContact NH1-OD2 2.8Å
97	T	95.8	Very high	95.3	Very high	141 Å²	141	61.3 Å²	61.3	87%	0.865	32%	0.319	S	S	*	.			trans	-89	134.5	175.8	52	0	0	0	0	111.2
98	F	97.1	Very high	95.5	Very high	38 Å²	38	58.3 Å²	58.3	17%	0.167	31%	0.306	C	S	.	.			trans	-133.9	149.3	178.7	-62.2	-95.5	0	0	0	109.2	L93 R96 F269 F294 A296 C302 K304	L93-F98 HydrophobicContact CD1-CE2 4.17Å; L93-F98 HydrophobicContact CD1-CZ 3.85Å; R96-F98 HydrophobicContact CB-CD2 4.35Å; R96-F98 HydrophobicContact CB-CE2 3.51Å; R96-F98 HydrophobicContact CB-CZ 3.92Å; R96-F98 VanDerWaalsContact O-CD2 3.3Å; R96-F98 WeakPolarHBondContact O-CD2 3.45Å; R96-F98 WeakPolarHBondContact O-CE2 3.11Å; F98-F269 HydrophobicContact CD1-CD1 4.13Å; F98-F269 HydrophobicContact CD1-CE1 4.44Å; F98-F269 HydrophobicContact CD2-CD1 4.31Å; F98-F269 AromaticContact CD2-CE1 3.82Å; F98-F269 HydrophobicContact CD2-CE1 3.82Å; F98-F269 AromaticContact CE1-CD1 3.93Å; F98-F269 HydrophobicContact CE1-CD1 3.93Å; F98-F269 HydrophobicContact CE1-CE1 4.17Å; F98-F269 HydrophobicContact CE2-CD1 4.12Å; F98-F269 AromaticContact CE2-CE1 3.51Å; F98-F269 HydrophobicContact CE2-CE1 3.51Å; F98-F269 HydrophobicContact CE2-CZ 4.42Å; F98-F269 HydrophobicContact CG-CD1 4.33Å; F98-F269 HydrophobicContact CG-CE1 4.28Å; F98-F269 AromaticContact CZ-CD1 3.92Å; F98-F269 HydrophobicContact CZ-CD1 3.92Å; F98-F269 AromaticContact CZ-CE1 3.71Å; F98-F269 HydrophobicContact CZ-CE1 3.71Å; F98-F294 AromaticContact CE1-CE1 3.88Å; F98-F294 HydrophobicContact CE1-CE1 3.88Å; F98-F294 HydrophobicContact CE1-CZ 4.05Å; F98-F294 AromaticContact CZ-CE1 3.73Å; F98-F294 HydrophobicContact CZ-CE1 3.73Å; F98-F294 AromaticContact CZ-CZ 3.78Å; F98-F294 HydrophobicContact CZ-CZ 3.78Å; F98-A296 HydrophobicContact CE1-CB 4.29Å; F98-C302 HydrophobicContact CD1-CB 4.34Å; F98-K304 HydrophobicContact CB-CB 3.73Å; F98-K304 HydrophobicContact CB-CD 4.48Å; F98-K304 HydrophobicContact CD2-CD 4.26Å; F98-K304 HydrophobicContact CG-CB 4.35Å
99	P	97.1	Very high	95.5	Very high	51 Å²	51	58.7 Å²	58.7	33%	0.331	31%	0.31	S	S	.	.			trans	-57.7	144.2	167.9	25.2	-34.4	0	0	0	111	C302 Y303 K304	P99-C302 VanDerWaalsContact CD-O 3.27Å; P99-C302 WeakPolarHBondContact CD-O 3.36Å; P99-C302 WeakPolarHBondContact CG-O 3.46Å; P99-Y303 HydrophobicContact CB-CD1 4.03Å; P99-Y303 HydrophobicContact CB-CE1 4.35Å; P99-Y303 HydrophobicContact CG-CD1 3.97Å; P99-Y303 HydrophobicContact CG-CE1 4.38Å; P99-Y303 HydrophobicContact CG-CG 4.45Å; P99-Y303 WeakPolarHBondContact O-CA 3.11Å; P99-K304 PolarHBondContact O-N 3.44Å
100	S	97	Very high	95.3	Very high	54 Å²	54	59.8 Å²	59.8	38%	0.378	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-66.6	140.2	176.2	-171.8	0	0	0	0	110.3	D102 D103	S100-D102 PolarHBondContact O-N 3.31Å; S100-D102 PolarHBondContact OG-N 3.49Å; S100-D102 PolarHBondContact OG-OD2 3.09Å; S100-D103 PolarHBondContact O-N 3.39Å
101	A	96.3	Very high	95	Very high	3 Å²	3	64.1 Å²	64.1	3%	0.025	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-67.2	-7.2	170.4	0	0	0	0	0	113.3	D103 I104 V105 K304 C305	A101-D103 PolarHBondContact O-N 3.41Å; A101-D103 VanDerWaalsContact O-N 3.13Å; A101-I104 HydrophobicContact CB-CG1 4.35Å; A101-I104 WeakPolarHBondContact O-CG1 3.26Å; A101-I104 PolarHBondContact O-N 3.25Å; A101-V105 HydrophobicContact CB-CG2 3.66Å; A101-V105 VanDerWaalsContact O-CB 3.26Å; A101-V105 WeakPolarHBondContact O-CB 3.46Å; A101-V105 VanDerWaalsContact O-CG2 3.24Å; A101-V105 WeakPolarHBondContact O-CG2 3.46Å; A101-V105 PolarHBondContact O-N 2.95Å; A101-K304 WeakPolarHBondContact CB-O 3.21Å; A101-K304 PolarHBondContact N-O 3.05Å; A101-C305 HydrophobicContact CB-CB 3.48Å; A101-C305 VanDerWaalsContact CB-CB 3.48Å
102	D	94.4	Very high	95	Very high	95 Å²	95	62 Å²	62	51%	0.508	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.4	171.1	-63.5	-51.8	0	0	0	113.5	S100 I104 K107	S100-D102 PolarHBondContact O-N 3.31Å; S100-D102 PolarHBondContact OG-N 3.49Å; S100-D102 PolarHBondContact OG-OD2 3.09Å; D102-I104 PolarHBondContact O-N 3.37Å; D102-K107 WeakPolarHBondContact OD1-CE 3.37Å; D102-K107 IonicContact OD1-NZ 3.16Å; D102-K107 PolarHBondContact OD1-NZ 3.09Å
103	D	92.3	Very high	95	Very high	113 Å²	113	59.4 Å²	59.4	60%	0.604	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-66.6	-20.7	176	-74.5	-2.6	0	0	0	113.8	S100 A101 Y303	S100-D103 PolarHBondContact O-N 3.39Å; A101-D103 PolarHBondContact O-N 3.41Å; A101-D103 VanDerWaalsContact O-N 3.13Å; D103-Y303 HydrophobicContact CB-CD1 4.44Å; D103-Y303 HydrophobicContact CB-CE1 3.97Å
104	I	95.4	Very high	94.9	Very high	20 Å²	20	61.8 Å²	61.8	10%	0.103	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-21.8	-171.8	56.6	155.2	0	0	0	114.4	A101 D102 V106 E125 P126 L270 Y303 W319	A101-I104 HydrophobicContact CB-CG1 4.35Å; A101-I104 WeakPolarHBondContact O-CG1 3.26Å; A101-I104 PolarHBondContact O-N 3.25Å; D102-I104 PolarHBondContact O-N 3.37Å; I104-V106 PolarHBondContact O-N 3.34Å; I104-E125 WeakPolarHBondContact O-CB 3.43Å; I104-P126 HydrophobicContact CD1-CG 4.43Å; I104-L270 HydrophobicContact CD1-CB 4.48Å; I104-Y303 HydrophobicContact CD1-CD1 4.3Å; I104-Y303 HydrophobicContact CD1-CD2 3.53Å; I104-Y303 HydrophobicContact CD1-CE2 4.06Å; I104-Y303 HydrophobicContact CD1-CG 3.65Å; I104-Y303 HydrophobicContact CG1-CD1 4.13Å; I104-Y303 HydrophobicContact CG1-CD2 4.2Å; I104-Y303 HydrophobicContact CG1-CE1 4.44Å; I104-Y303 HydrophobicContact CG1-CG 3.98Å; I104-Y303 HydrophobicContact CG2-CD1 4.4Å; I104-Y303 HydrophobicContact CG2-CD2 4.45Å; I104-Y303 HydrophobicContact CG2-CE1 3.87Å; I104-Y303 HydrophobicContact CG2-CE2 3.92Å; I104-W319 HydrophobicContact CD1-CH2 3.57Å; I104-W319 HydrophobicContact CD1-CZ3 3.57Å
105	V	96.1	Very high	94.9	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	33%	0.334	C	S	.	.			trans	-82.4	116	-175.1	169.3	0	0	0	0	110	A101 K107 P126 L128	A101-V105 HydrophobicContact CB-CG2 3.66Å; A101-V105 VanDerWaalsContact O-CB 3.26Å; A101-V105 WeakPolarHBondContact O-CB 3.46Å; A101-V105 VanDerWaalsContact O-CG2 3.24Å; A101-V105 WeakPolarHBondContact O-CG2 3.46Å; A101-V105 PolarHBondContact O-N 2.95Å; V105-K107 HydrophobicContact CG1-CG 4.42Å; V105-K107 PolarHBondContact O-N 3.26Å; V105-P126 CarbonylContact C-O 3.54Å; V105-P126 WeakPolarHBondContact CA-O 3.49Å; V105-P126 HydrophobicContact CG2-CB 4.27Å; V105-L128 HydrophobicContact CG1-CB 3.34Å; V105-L128 HydrophobicContact CG1-CD2 4.33Å; V105-L128 HydrophobicContact CG1-CG 4.48Å
106	V	97.3	Very high	94.9	Very high	49 Å²	49	58.6 Å²	58.6	30%	0.297	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	109.7	175	-171.4	0	0	0	0	108.8	I104 L108 E125 P126 I127 L128	I104-V106 PolarHBondContact O-N 3.34Å; V106-L108 HydrophobicContact CG1-CD2 3.84Å; V106-L108 HydrophobicContact CG1-CG 3.97Å; V106-E125 HydrophobicContact CG2-CB 4.2Å; V106-P126 PolarHBondContact N-O 2.98Å; V106-I127 HydrophobicContact CB-CG1 4.33Å; V106-I127 CarbonylContact O-C 3.59Å; V106-I127 VanDerWaalsContact O-CA 3.32Å; V106-I127 WeakPolarHBondContact O-CA 3.34Å; V106-L128 PolarHBondContact O-N 3.36Å
107	K	96.7	Very high	94.9	Very high	109 Å²	109	57.9 Å²	57.9	47%	0.474	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.6	177	-65.5	172.6	-174.9	172.1	0	109.5	D102 V105 L128	D102-K107 WeakPolarHBondContact OD1-CE 3.37Å; D102-K107 IonicContact OD1-NZ 3.16Å; D102-K107 PolarHBondContact OD1-NZ 3.09Å; V105-K107 HydrophobicContact CG1-CG 4.42Å; V105-K107 PolarHBondContact O-N 3.26Å; K107-L128 WeakPolarHBondContact CA-O 3.28Å
108	L	95.2	Very high	94.9	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.7	-179.8	-63.1	-177.7	0	0	0	111.7	V106 Q112 L113 Y117 I127 L128	V106-L108 HydrophobicContact CG1-CD2 3.84Å; V106-L108 HydrophobicContact CG1-CG 3.97Å; L108-Q112 HydrophobicContact CB-CB 4.31Å; L108-Q112 HydrophobicContact CD2-CB 4.29Å; L108-L113 HydrophobicContact CD1-CB 4.34Å; L108-L113 HydrophobicContact CD1-CD1 4.17Å; L108-Y117 HydrophobicContact CD1-CD1 4.05Å; L108-Y117 HydrophobicContact CD1-CE1 3.59Å; L108-Y117 HydrophobicContact CD2-CE2 4.4Å; L108-I127 HydrophobicContact CB-CG2 4.27Å; L108-I127 HydrophobicContact CD1-CD1 4.33Å; L108-I127 HydrophobicContact CD1-CG2 3.75Å; L108-I127 HydrophobicContact CG-CG2 4Å; L108-L128 PolarHBondContact N-O 3.06Å; L108-L128 VanDerWaalsContact N-O 3.09Å
109	S	93.6	Very high	94.8	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	29%	0.292	S	S	.	.			trans	-70.3	155.8	157.1	76.1	0	0	0	0	110	S111 Q112 L113	S109-S111 PolarHBondContact O-N 3.44Å; S109-S111 PolarHBondContact OG-OG 2.81Å; S109-Q112 PolarHBondContact O-N 2.66Å; S109-Q112 VanDerWaalsContact OG-CG 3.27Å; S109-Q112 WeakPolarHBondContact OG-CG 3.32Å; S109-Q112 PolarHBondContact OG-N 3.49Å; S109-Q112 PolarHBondContact OG-OE1 2.81Å; S109-Q112 VanDerWaalsContact OG-OE1 3.11Å; S109-L113 PolarHBondContact O-N 3.37Å
110	S	89.9	Confident	94.6	Very high	27 Å²	27	58.4 Å²	58.4	19%	0.189	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.7	174	51.7	0	0	0	0	113.2	Q112 L113 D133	S110-Q112 VanDerWaalsContact C-N 3.33Å; S110-Q112 PolarHBondContact O-N 3.46Å; S110-L113 PolarHBondContact O-N 2.82Å; S110-D133 WeakPolarHBondContact CB-O 3.5Å; S110-D133 PolarHBondContact OG-O 3.21Å
111	S	90.4	Very high	94.4	Very high	94 Å²	94	60.4 Å²	60.4	66%	0.657	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.3	176.4	51.3	0	0	0	0	114.5	S109	S109-S111 PolarHBondContact O-N 3.44Å; S109-S111 PolarHBondContact OG-OG 2.81Å
112	Q	93.6	Very high	94.3	Very high	102 Å²	102	61.4 Å²	61.4	48%	0.477	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-23.3	176.7	-73.6	166.4	-41.9	0	0	112.9	L108 S109 S110 T114 Y117	L108-Q112 HydrophobicContact CB-CB 4.31Å; L108-Q112 HydrophobicContact CD2-CB 4.29Å; S109-Q112 PolarHBondContact O-N 2.66Å; S109-Q112 VanDerWaalsContact OG-CG 3.27Å; S109-Q112 WeakPolarHBondContact OG-CG 3.32Å; S109-Q112 PolarHBondContact OG-N 3.49Å; S109-Q112 PolarHBondContact OG-OE1 2.81Å; S109-Q112 VanDerWaalsContact OG-OE1 3.11Å; S110-Q112 VanDerWaalsContact C-N 3.33Å; S110-Q112 PolarHBondContact O-N 3.46Å; Q112-T114 PolarHBondContact O-N 3.07Å; Q112-Y117 WeakPolarHBondContact O-CB 3.43Å
113	L	95.4	Very high	94.4	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.073	31%	0.308	C	S	.	.			trans	-77.8	66.9	-178.9	-174.2	51.8	0	0	0	111.8	L108 S109 S110 L118 I127 V129 L135 I211 F314	L108-L113 HydrophobicContact CD1-CB 4.34Å; L108-L113 HydrophobicContact CD1-CD1 4.17Å; S109-L113 PolarHBondContact O-N 3.37Å; S110-L113 PolarHBondContact O-N 2.82Å; L113-L118 HydrophobicContact CD1-CD1 3.99Å; L113-L118 HydrophobicContact CD1-CD2 4.06Å; L113-L118 HydrophobicContact CD1-CG 4.19Å; L113-I127 HydrophobicContact CD1-CD1 3.94Å; L113-I127 HydrophobicContact CD1-CG2 4.45Å; L113-I127 HydrophobicContact CD2-CG2 4.4Å; L113-V129 HydrophobicContact CD2-CG2 3.97Å; L113-L135 HydrophobicContact CB-CD2 4.42Å; L113-L135 HydrophobicContact CD2-CD2 3.98Å; L113-I211 HydrophobicContact CD2-CG2 4.14Å; L113-I211 HydrophobicContact CG-CG1 4.45Å; L113-I211 HydrophobicContact CG-CG2 4.12Å; L113-F314 HydrophobicContact CD2-CD2 3.81Å; L113-F314 HydrophobicContact CD2-CE1 4.33Å; L113-F314 HydrophobicContact CD2-CE2 3.38Å; L113-F314 HydrophobicContact CD2-CG 4.45Å; L113-F314 HydrophobicContact CD2-CZ 3.68Å
114	T	94.8	Very high	94.6	Very high	52 Å²	52	56.2 Å²	56.2	32%	0.319	30%	0.303	S	S	.	.			trans	-96.6	164.4	178.7	68	0	0	0	0	111.6	Q112 D116 Y117 L118	Q112-T114 PolarHBondContact O-N 3.07Å; T114-D116 VanDerWaalsContact C-N 3.27Å; T114-Y117 WeakPolarHBondContact OG1-CB 3.35Å; T114-Y117 PolarHBondContact OG1-N 3.11Å; T114-L118 WeakPolarHBondContact O-CG 3.25Å; T114-L118 PolarHBondContact O-N 3.26Å
115	L	94	Very high	94.7	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-38	172	-178.8	141.6	0	0	0	111	L118 E119 I211 R214 L215	L115-L118 CarbonylContact O-C 3.56Å; L115-L118 PolarHBondContact O-N 2.73Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-E119 HydrophobicContact CD2-CG 3.89Å; L115-E119 HydrophobicContact CG-CG 4.49Å; L115-E119 PolarHBondContact O-N 3.19Å; L115-I211 HydrophobicContact CB-CD1 4.01Å; L115-R214 HydrophobicContact CD1-CB 4.47Å; L115-L215 HydrophobicContact CD1-CD2 4.03Å
116	D	94.6	Very high	94.8	Very high	93 Å²	93	57.4 Å²	57.4	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-41.5	-176.2	-41.1	-43.1	0	0	0	110.1	T114 L118 E119 E120	T114-D116 VanDerWaalsContact C-N 3.27Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.95Å; D116-E119 PolarHBondContact O-N 2.85Å; D116-E120 WeakPolarHBondContact O-CG 3.47Å; D116-E120 PolarHBondContact O-N 2.98Å
117	Y	95.6	Very high	94.9	Very high	57 Å²	57	55.2 Å²	55.2	22%	0.224	29%	0.294	C	S	.	.	H	α-helix	trans	-55.8	-42.8	170.7	174.9	-90	0	0	0	112.4	L108 Q112 T114 E120 N121	L108-Y117 HydrophobicContact CD1-CD1 4.05Å; L108-Y117 HydrophobicContact CD1-CE1 3.59Å; L108-Y117 HydrophobicContact CD2-CE2 4.4Å; Q112-Y117 WeakPolarHBondContact O-CB 3.43Å; T114-Y117 WeakPolarHBondContact OG1-CB 3.35Å; T114-Y117 PolarHBondContact OG1-N 3.11Å; Y117-E120 PolarHBondContact O-N 3.35Å; Y117-N121 WeakPolarHBondContact CD2-ND2 3.3Å; Y117-N121 HydrophobicContact CE1-CB 4.35Å; Y117-N121 HydrophobicContact CE2-CB 4.44Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.34Å; Y117-N121 WeakPolarHBondContact O-CB 3.47Å; Y117-N121 PolarHBondContact O-N 2.9Å; Y117-N121 PolarHBondContact O-ND2 3.5Å
118	L	96.4	Very high	94.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-78	-22.7	179.7	-62	177.8	0	0	0	113.5	L113 T114 L115 D116 G122 F123 I127 I211 L215 L340	L113-L118 HydrophobicContact CD1-CD1 3.99Å; L113-L118 HydrophobicContact CD1-CD2 4.06Å; L113-L118 HydrophobicContact CD1-CG 4.19Å; T114-L118 WeakPolarHBondContact O-CG 3.25Å; T114-L118 PolarHBondContact O-N 3.26Å; L115-L118 CarbonylContact O-C 3.56Å; L115-L118 PolarHBondContact O-N 2.73Å; L115-L118 VanDerWaalsContact O-N 3.16Å; D116-L118 VanDerWaalsContact C-N 3.31Å; D116-L118 PolarHBondContact O-N 2.95Å; L118-G122 CarbonylContact O-C 3.55Å; L118-G122 WeakPolarHBondContact O-CA 3.29Å; L118-G122 PolarHBondContact O-N 2.94Å; L118-G122 VanDerWaalsContact O-N 3.09Å; L118-F123 HydrophobicContact CD2-CB 4.13Å; L118-F123 HydrophobicContact CD2-CD2 4.44Å; L118-F123 HydrophobicContact CD2-CG 4.39Å; L118-I127 HydrophobicContact CD2-CD1 3.67Å; L118-I211 HydrophobicContact CD1-CD1 4.02Å; L118-I211 HydrophobicContact CD1-CG1 3.76Å; L118-L215 HydrophobicContact CD1-CD1 3.9Å; L118-L340 HydrophobicContact CB-CD1 3.85Å; L118-L340 HydrophobicContact CD1-CD1 4.48Å
119	E	93.8	Very high	95.1	Very high	71 Å²	71	50 Å²	50	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-74.7	-33.8	169	-72.2	-159.5	160.1	0	0	111.9	L115 D116 L340 Y394	L115-E119 HydrophobicContact CD2-CG 3.89Å; L115-E119 HydrophobicContact CG-CG 4.49Å; L115-E119 PolarHBondContact O-N 3.19Å; D116-E119 PolarHBondContact O-N 2.85Å; E119-L340 HydrophobicContact CG-CD2 4.41Å; E119-Y394 HydrophobicContact CB-CE1 4.26Å; E119-Y394 HydrophobicContact CG-CE1 3.76Å; E119-Y394 PolarHBondContact OE1-OH 3.34Å
120	E	93.3	Very high	95.2	Very high	167 Å²	167	53.7 Å²	53.7	78%	0.78	28%	0.283	S	S	*	.	H	α-helix	trans	-80.1	-47.4	179.4	-71.5	-177.4	165.9	0	0	113.3	D116 Y117	D116-E120 WeakPolarHBondContact O-CG 3.47Å; D116-E120 PolarHBondContact O-N 2.98Å; Y117-E120 PolarHBondContact O-N 3.35Å
121	N	93.9	Very high	95.3	Very high	95 Å²	95	59.3 Å²	59.3	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-95.4	-16.3	-174.8	-60.1	-89.2	0	0	0	112.8	Y117	Y117-N121 WeakPolarHBondContact CD2-ND2 3.3Å; Y117-N121 HydrophobicContact CE1-CB 4.35Å; Y117-N121 HydrophobicContact CE2-CB 4.44Å; Y117-N121 WeakPolarHBondContact CE2-ND2 3.34Å; Y117-N121 WeakPolarHBondContact O-CB 3.47Å; Y117-N121 PolarHBondContact O-N 2.9Å; Y117-N121 PolarHBondContact O-ND2 3.5Å
122	G	94	Very high	95.5	Very high	24 Å²	24	57.9 Å²	57.9	25%	0.247	29%	0.286	C	S	.	.			trans	76.2	170.7	-169.8	0	0	0	0	0	113	L118	L118-G122 CarbonylContact O-C 3.55Å; L118-G122 WeakPolarHBondContact O-CA 3.29Å; L118-G122 PolarHBondContact O-N 2.94Å; L118-G122 VanDerWaalsContact O-N 3.09Å
123	F	96.8	Very high	95.5	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.026	29%	0.291	C	S	.	.	S	Bend	trans	-120.9	79	172.7	-174.2	-150.3	0	0	0	108.8	L118 I127 F314 P316 F336 H338 L340 S341	L118-F123 HydrophobicContact CD2-CB 4.13Å; L118-F123 HydrophobicContact CD2-CD2 4.44Å; L118-F123 HydrophobicContact CD2-CG 4.39Å; F123-I127 HydrophobicContact CD2-CD1 3.79Å; F123-I127 HydrophobicContact CD2-CG1 4.25Å; F123-I127 HydrophobicContact CE2-CD1 3.95Å; F123-I127 HydrophobicContact CE2-CG1 4.09Å; F123-F314 HydrophobicContact CE2-CB 4.15Å; F123-F314 HydrophobicContact CZ-CB 3.87Å; F123-P316 HydrophobicContact CD1-CB 4.06Å; F123-P316 HydrophobicContact CD2-CB 3.76Å; F123-P316 HydrophobicContact CD2-CG 4.1Å; F123-P316 HydrophobicContact CE1-CB 3.95Å; F123-P316 HydrophobicContact CE2-CB 3.65Å; F123-P316 HydrophobicContact CE2-CG 3.87Å; F123-P316 HydrophobicContact CG-CB 3.94Å; F123-P316 HydrophobicContact CZ-CB 3.73Å; F123-P316 HydrophobicContact CZ-CG 4.31Å; F123-P316 VanDerWaalsContact O-CB 3.3Å; F123-P316 WeakPolarHBondContact O-CB 3.35Å; F123-F336 HydrophobicContact CE1-CE2 4.41Å; F123-F336 AromaticContact CE1-CZ 3.97Å; F123-F336 HydrophobicContact CE1-CZ 3.97Å; F123-H338 AromaticContact CD1-NE2 3.35Å; F123-H338 WeakPolarHBondContact CD1-NE2 3.45Å; F123-H338 AromaticContact CE1-NE2 3.76Å; F123-L340 HydrophobicContact CB-CD1 3.86Å; F123-S341 PolarHBondContact O-OG 2.89Å
124	N	96.1	Very high	95.3	Very high	94 Å²	94	60.4 Å²	60.4	50%	0.503	32%	0.318	S	S	.	.			trans	-119.7	-23.1	-171.8	-61.4	-65.1	0	0	0	113.6	W319	N124-W319 PolarHBondContact O-NE1 3.11Å
125	E	97.4	Very high	95.3	Very high	55 Å²	55	58.3 Å²	58.3	26%	0.257	30%	0.304	S	S	.	.	S	Bend	trans	-116.1	156	176.6	-43.6	-59.2	142.7	0	0	109.8	I104 V106 K272 P316 W319	I104-E125 WeakPolarHBondContact O-CB 3.43Å; V106-E125 HydrophobicContact CG2-CB 4.2Å; E125-K272 WeakPolarHBondContact OE1-CE 3.46Å; E125-K272 IonicContact OE1-NZ 3.73Å; E125-K272 PolarHBondContact OE1-NZ 3.27Å; E125-K272 WeakPolarHBondContact OE2-CE 3.48Å; E125-K272 IonicContact OE2-NZ 2.77Å; E125-K272 PolarHBondContact OE2-NZ 3.02Å; E125-P316 WeakPolarHBondContact O-CG 3.5Å; E125-W319 WeakPolarHBondContact OE2-CZ2 3.23Å
126	P	98.4	Very high	95.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.			trans	-67.8	142.3	-178.9	-13.2	29	0	0	0	111.5	I104 V105 V106 L270 L313 F314 W319	I104-P126 HydrophobicContact CD1-CG 4.43Å; V105-P126 CarbonylContact C-O 3.54Å; V105-P126 WeakPolarHBondContact CA-O 3.49Å; V105-P126 HydrophobicContact CG2-CB 4.27Å; V106-P126 PolarHBondContact N-O 2.98Å; P126-L270 HydrophobicContact CB-CD1 4.34Å; P126-L270 HydrophobicContact CG-CD1 4.02Å; P126-L313 HydrophobicContact CB-CD1 4.3Å; P126-F314 CarbonylContact C-O 3.59Å; P126-F314 WeakPolarHBondContact CA-O 3.3Å; P126-W319 HydrophobicContact CG-CD2 4.24Å; P126-W319 HydrophobicContact CG-CE3 4.12Å; P126-W319 HydrophobicContact CG-CH2 4.06Å; P126-W319 HydrophobicContact CG-CZ2 4.18Å; P126-W319 HydrophobicContact CG-CZ3 4.03Å
127	I	98.5	Very high	95.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.6	-177.7	-57.7	179.3	0	0	0	109.4	V106 L108 L113 L118 F123 V129 L313 F314	V106-I127 HydrophobicContact CB-CG1 4.33Å; V106-I127 CarbonylContact O-C 3.59Å; V106-I127 VanDerWaalsContact O-CA 3.32Å; V106-I127 WeakPolarHBondContact O-CA 3.34Å; L108-I127 HydrophobicContact CB-CG2 4.27Å; L108-I127 HydrophobicContact CD1-CD1 4.33Å; L108-I127 HydrophobicContact CD1-CG2 3.75Å; L108-I127 HydrophobicContact CG-CG2 4Å; L113-I127 HydrophobicContact CD1-CD1 3.94Å; L113-I127 HydrophobicContact CD1-CG2 4.45Å; L113-I127 HydrophobicContact CD2-CG2 4.4Å; L118-I127 HydrophobicContact CD2-CD1 3.67Å; F123-I127 HydrophobicContact CD2-CD1 3.79Å; F123-I127 HydrophobicContact CD2-CG1 4.25Å; F123-I127 HydrophobicContact CE2-CD1 3.95Å; F123-I127 HydrophobicContact CE2-CG1 4.09Å; I127-V129 HydrophobicContact CG2-CG2 4.29Å; I127-L313 CarbonylContact O-C 3.37Å; I127-F314 HydrophobicContact CB-CB 4.25Å; I127-F314 HydrophobicContact CB-CD2 4.47Å; I127-F314 HydrophobicContact CG2-CD2 4.49Å; I127-F314 PolarHBondContact N-O 3.27Å; I127-F314 PolarHBondContact O-N 2.62Å
128	L	98.2	Very high	95.4	Very high	15 Å²	15	55.2 Å²	55.2	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.9	176.1	179.3	66	0	0	0	110.4	V105 V106 K107 L108 L307 Q311 L313	V105-L128 HydrophobicContact CG1-CB 3.34Å; V105-L128 HydrophobicContact CG1-CD2 4.33Å; V105-L128 HydrophobicContact CG1-CG 4.48Å; V106-L128 PolarHBondContact O-N 3.36Å; K107-L128 WeakPolarHBondContact CA-O 3.28Å; L108-L128 PolarHBondContact N-O 3.06Å; L108-L128 VanDerWaalsContact N-O 3.09Å; L128-L307 HydrophobicContact CD1-CD1 3.52Å; L128-Q311 HydrophobicContact CD1-CB 4.33Å; L128-L313 HydrophobicContact CB-CD1 4.49Å
129	V	97.9	Very high	95.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.2	175.4	-174.6	0	0	0	0	108.8	L113 I127 K131 L135 T312 F314	L113-V129 HydrophobicContact CD2-CG2 3.97Å; I127-V129 HydrophobicContact CG2-CG2 4.29Å; V129-K131 WeakPolarHBondContact CG1-O 3.46Å; V129-K131 PolarHBondContact O-N 2.87Å; V129-L135 HydrophobicContact CB-CD1 4.19Å; V129-L135 HydrophobicContact CG1-CD1 4.01Å; V129-L135 HydrophobicContact CG1-CD2 4.18Å; V129-L135 HydrophobicContact CG1-CG 4.23Å; V129-L135 HydrophobicContact CG2-CD2 4.31Å; V129-T312 PolarHBondContact N-O 3Å; V129-T312 PolarHBondContact O-N 3.43Å; V129-F314 HydrophobicContact CG2-CD2 4.43Å; V129-F314 HydrophobicContact CG2-CE2 3.97Å
130	Q	95.6	Very high	95.5	Very high	124 Å²	124	52.6 Å²	52.6	58%	0.579	29%	0.292	S	S	*	.	S	Bend	trans	-73.5	-23	-169.8	-65.5	-175.4	-2.1	0	0	114.7
131	K	93.7	Very high	95.5	Very high	145 Å²	145	48.2 Å²	48.2	63%	0.63	28%	0.278	S	S	*	.			trans	-137.8	139.7	-178.7	-63.1	-173.9	179.5	-175.9	0	110	V129 D133	V129-K131 WeakPolarHBondContact CG1-O 3.46Å; V129-K131 PolarHBondContact O-N 2.87Å; K131-D133 VanDerWaalsContact C-N 3.26Å; K131-D133 PolarHBondContact O-N 3.45Å
132	K	93.3	Very high	95.4	Very high	64 Å²	64	47.9 Å²	47.9	28%	0.278	28%	0.281	S	S	.	.			trans	-67.9	-23.3	178.4	66.4	173.6	-174.8	175.8	0	114.2	G134 L135 M137 M139	K132-G134 PolarHBondContact O-N 2.63Å; K132-L135 WeakPolarHBondContact O-CB 3.25Å; K132-L135 PolarHBondContact O-N 2.79Å; K132-M137 HydrophobicContact CB-CG 4.13Å; K132-M137 HydrophobicContact CB-SD 3.81Å; K132-M139 HydrophobicContact CD-CB 4.31Å
133	D	93.3	Very high	95.5	Very high	108 Å²	108	51.6 Å²	51.6	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	120.6	-169.4	-47.9	-55	0	0	0	110.7	S110 K131	S110-D133 WeakPolarHBondContact CB-O 3.5Å; S110-D133 PolarHBondContact OG-O 3.21Å; K131-D133 VanDerWaalsContact C-N 3.26Å; K131-D133 PolarHBondContact O-N 3.45Å
134	G	91.2	Very high	95.5	Very high	62 Å²	62	51.9 Å²	51.9	64%	0.639	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	-12.2	-174.3	0	0	0	0	0	115.5	K132 G136	K132-G134 PolarHBondContact O-N 2.63Å; G134-G136 PolarHBondContact O-N 2.86Å
135	L	94.8	Very high	95.5	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	30%	0.3	C	S	.	.	S	Bend	trans	-72.7	-3.5	174.3	-71	-179.7	0	0	0	113.9	L113 V129 K132 M137 Q210 T312 F314	L113-L135 HydrophobicContact CB-CD2 4.42Å; L113-L135 HydrophobicContact CD2-CD2 3.98Å; V129-L135 HydrophobicContact CB-CD1 4.19Å; V129-L135 HydrophobicContact CG1-CD1 4.01Å; V129-L135 HydrophobicContact CG1-CD2 4.18Å; V129-L135 HydrophobicContact CG1-CG 4.23Å; V129-L135 HydrophobicContact CG2-CD2 4.31Å; K132-L135 WeakPolarHBondContact O-CB 3.25Å; K132-L135 PolarHBondContact O-N 2.79Å; L135-M137 HydrophobicContact CB-CG 4.1Å; L135-M137 HydrophobicContact CB-SD 3.79Å; L135-M137 HydrophobicContact CD1-SD 3.6Å; L135-M137 HydrophobicContact CG-SD 4.33Å; L135-M137 PolarHBondContact O-N 2.95Å; L135-Q210 PolarHBondContact O-N 2.8Å; L135-T312 HydrophobicContact CD1-CG2 4.19Å; L135-F314 HydrophobicContact CD1-CE2 4.33Å; L135-F314 HydrophobicContact CD1-CZ 4.25Å; L135-F314 HydrophobicContact CD2-CZ 4.46Å
136	G	95.1	Very high	95.4	Very high	34 Å²	34	50.9 Å²	50.9	35%	0.351	29%	0.288	S	S	.	.			trans	59.4	34.6	-175.5	0	0	0	0	0	113	G134 R213	G134-G136 PolarHBondContact O-N 2.86Å; G136-R213 PolarHBondContact O-NH2 2.92Å
137	M	95.6	Very high	95.4	Very high	24 Å²	24	53.3 Å²	53.3	12%	0.118	31%	0.305	C	S	.	.			trans	-106.8	143.8	175	65.3	-161.6	-61.9	0	0	110.7	K132 L135 M139 E207 P209 W258 H260 T312	K132-M137 HydrophobicContact CB-CG 4.13Å; K132-M137 HydrophobicContact CB-SD 3.81Å; L135-M137 HydrophobicContact CB-CG 4.1Å; L135-M137 HydrophobicContact CB-SD 3.79Å; L135-M137 HydrophobicContact CD1-SD 3.6Å; L135-M137 HydrophobicContact CG-SD 4.33Å; L135-M137 PolarHBondContact O-N 2.95Å; M137-M139 HydrophobicContact CE-CE 3.54Å; M137-M139 HydrophobicContact CE-CG 4.21Å; M137-E207 CarbonylContact C-O 3.51Å; M137-E207 VanDerWaalsContact CA-O 3.23Å; M137-E207 WeakPolarHBondContact CA-O 3.4Å; M137-E207 VanDerWaalsContact CB-O 3.3Å; M137-E207 WeakPolarHBondContact CB-O 3.04Å; M137-P209 HydrophobicContact CB-CG 4.28Å; M137-P209 HydrophobicContact CE-CG 4.03Å; M137-P209 HydrophobicContact SD-CG 4.15Å; M137-W258 HydrophobicContact CE-CE3 4.35Å; M137-W258 HydrophobicContact CE-CZ3 4.19Å; M137-H260 HydrophobicContact CE-CB 3.87Å; M137-T312 HydrophobicContact CE-CG2 4.37Å
138	S	96.1	Very high	95.3	Very high	54 Å²	54	55 Å²	55	38%	0.378	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-98.9	139.5	166.6	-173.6	0	0	0	0	109.2	V205 V206 E207	S138-V205 WeakPolarHBondContact CB-O 3.11Å; S138-V205 PolarHBondContact OG-O 2.87Å; S138-V206 WeakPolarHBondContact O-CA 3.49Å; S138-E207 PolarHBondContact N-O 3.41Å; S138-E207 PolarHBondContact O-N 3.12Å
139	M	96.3	Very high	95.3	Very high	15 Å²	15	54.2 Å²	54.2	7%	0.074	31%	0.31	C	S	.	.			trans	-142	142.7	174.5	-75.5	-66.6	161.2	0	0	108.4	K132 M137 V206 W258 H260 F332	K132-M139 HydrophobicContact CD-CB 4.31Å; M137-M139 HydrophobicContact CE-CE 3.54Å; M137-M139 HydrophobicContact CE-CG 4.21Å; M139-V206 HydrophobicContact CE-CG1 3.72Å; M139-V206 HydrophobicContact SD-CG1 3.98Å; M139-V206 HydrophobicContact SD-CG2 4.43Å; M139-W258 HydrophobicContact CE-CH2 3.61Å; M139-W258 HydrophobicContact CE-CZ3 3.44Å; M139-W258 VanDerWaalsContact CE-CZ3 3.44Å; M139-H260 HydrophobicContact CE-CB 4.09Å; M139-F332 HydrophobicContact CE-CB 3.86Å; M139-F332 HydrophobicContact CE-CD2 4.28Å; M139-F332 HydrophobicContact CE-CG 4.35Å; M139-F332 HydrophobicContact SD-CB 4.16Å; M139-F332 HydrophobicContact SD-CD2 3.44Å; M139-F332 WeakPolarHBondContact SD-CD2 3.37Å; M139-F332 HydrophobicContact SD-CE2 4.12Å; M139-F332 HydrophobicContact SD-CG 4.04Å
140	P	96.4	Very high	95.2	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.039	32%	0.319	C	S	.	.			trans	-58.4	163.1	174.5	26.9	-36	0	0	0	111.6	F144 V206 L262 F332	P140-F144 HydrophobicContact CB-CB 3.77Å; P140-F144 HydrophobicContact CB-CD1 4.12Å; P140-F144 HydrophobicContact CB-CD2 3.61Å; P140-F144 HydrophobicContact CB-CE2 4.16Å; P140-F144 HydrophobicContact CB-CG 3.59Å; P140-F144 HydrophobicContact CG-CB 4.23Å; P140-F144 HydrophobicContact CG-CD1 3.84Å; P140-F144 HydrophobicContact CG-CD2 4.19Å; P140-F144 HydrophobicContact CG-CE1 4.18Å; P140-F144 HydrophobicContact CG-CE2 4.48Å; P140-F144 HydrophobicContact CG-CG 3.86Å; P140-F144 HydrophobicContact CG-CZ 4.49Å; P140-V206 HydrophobicContact CG-CG2 4.44Å; P140-L262 HydrophobicContact CG-CD1 4.36Å; P140-L262 HydrophobicContact CG-CD2 4.06Å; P140-L262 WeakPolarHBondContact O-CD1 3.43Å; P140-F332 HydrophobicContact CG-CE2 3.74Å; P140-F332 HydrophobicContact CG-CZ 4.01Å
141	P	94.1	Very high	95.3	Very high	74 Å²	74	56.9 Å²	56.9	48%	0.481	32%	0.32	S	S	.	.			trans	-64.9	157.8	-180	28.7	-36.6	0	0	0	111.5	T143 F144	P141-T143 WeakPolarHBondContact CB-OG1 3.33Å; P141-T143 WeakPolarHBondContact CG-OG1 3.43Å; P141-T143 PolarHBondContact O-N 2.91Å; P141-F144 WeakPolarHBondContact O-CB 3.23Å; P141-F144 PolarHBondContact O-N 2.92Å
142	P	92	Very high	95.4	Very high	88 Å²	88	53.7 Å²	53.7	57%	0.571	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.1	173.1	-24.7	35.4	0	0	0	114.6	F144 K263	P142-F144 VanDerWaalsContact C-N 3.33Å; P142-K263 WeakPolarHBondContact O-CE 3.41Å; P142-K263 PolarHBondContact O-NZ 3.37Å
143	T	94.6	Very high	95.6	Very high	103 Å²	103	51.5 Å²	51.5	63%	0.632	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.5	172	49.7	0	0	0	0	114.3	P141 Y145	P141-T143 WeakPolarHBondContact CB-OG1 3.33Å; P141-T143 WeakPolarHBondContact CG-OG1 3.43Å; P141-T143 PolarHBondContact O-N 2.91Å; T143-Y145 WeakPolarHBondContact O-CD2 3.39Å; T143-Y145 WeakPolarHBondContact O-CE2 3.17Å
144	F	97.1	Very high	95.7	Very high	11 Å²	11	47 Å²	47	5%	0.048	28%	0.276	C	S	.	.			trans	-79	129.8	179.7	-178.4	-87.9	0	0	0	111.8	P140 P141 P142 D148 V149 Y152 M202 L262 K263 L330 F332	P140-F144 HydrophobicContact CB-CB 3.77Å; P140-F144 HydrophobicContact CB-CD1 4.12Å; P140-F144 HydrophobicContact CB-CD2 3.61Å; P140-F144 HydrophobicContact CB-CE2 4.16Å; P140-F144 HydrophobicContact CB-CG 3.59Å; P140-F144 HydrophobicContact CG-CB 4.23Å; P140-F144 HydrophobicContact CG-CD1 3.84Å; P140-F144 HydrophobicContact CG-CD2 4.19Å; P140-F144 HydrophobicContact CG-CE1 4.18Å; P140-F144 HydrophobicContact CG-CE2 4.48Å; P140-F144 HydrophobicContact CG-CG 3.86Å; P140-F144 HydrophobicContact CG-CZ 4.49Å; P141-F144 WeakPolarHBondContact O-CB 3.23Å; P141-F144 PolarHBondContact O-N 2.92Å; P142-F144 VanDerWaalsContact C-N 3.33Å; F144-D148 HydrophobicContact CD1-CB 4.43Å; F144-D148 HydrophobicContact CD2-CB 3.5Å; F144-D148 HydrophobicContact CE1-CB 4.34Å; F144-D148 HydrophobicContact CE2-CB 3.4Å; F144-D148 HydrophobicContact CG-CB 4.04Å; F144-D148 HydrophobicContact CZ-CB 3.84Å; F144-V149 HydrophobicContact CE1-CG2 3.6Å; F144-V149 HydrophobicContact CZ-CG2 3.99Å; F144-Y152 AromaticContact CE2-CD2 3.82Å; F144-Y152 HydrophobicContact CE2-CD2 3.82Å; F144-Y152 AromaticContact CE2-CE2 3.91Å; F144-Y152 HydrophobicContact CE2-CE2 3.91Å; F144-Y152 HydrophobicContact CZ-CD2 4.43Å; F144-M202 HydrophobicContact CE1-SD 4.44Å; F144-M202 HydrophobicContact CZ-SD 3.85Å; F144-L262 HydrophobicContact CB-CD2 4.2Å; F144-L262 HydrophobicContact CD1-CD2 3.99Å; F144-K263 WeakPolarHBondContact O-CE 3.49Å; F144-K263 PolarHBondContact O-NZ 2.88Å; F144-L330 HydrophobicContact CD1-CD2 4.06Å; F144-L330 HydrophobicContact CE1-CD2 4.34Å; F144-F332 HydrophobicContact CE1-CZ 4.1Å
145	Y	96.3	Very high	96	Very high	125 Å²	125	46.4 Å²	46.4	49%	0.49	26%	0.261	S	S	.	.			trans	-122.1	179.7	-176.9	-69.6	-92.2	0	0	0	112.2	T143 S147 D148 V149 K263	T143-Y145 WeakPolarHBondContact O-CD2 3.39Å; T143-Y145 WeakPolarHBondContact O-CE2 3.17Å; Y145-S147 VanDerWaalsContact C-N 3.27Å; Y145-S147 PolarHBondContact O-N 2.77Å; Y145-D148 PolarHBondContact N-OD2 3.32Å; Y145-D148 WeakPolarHBondContact O-CA 3.49Å; Y145-D148 VanDerWaalsContact O-CB 3.3Å; Y145-D148 WeakPolarHBondContact O-CB 3.4Å; Y145-D148 PolarHBondContact O-N 3.18Å; Y145-V149 PolarHBondContact O-N 2.97Å; Y145-K263 HydrophobicContact CE1-CD 4.49Å; Y145-K263 VanDerWaalsContact CE2-NZ 3.3Å
146	I	96.2	Very high	96	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-25.7	-176.2	-71.6	149.9	0	0	0	112.4	D148 V149 E150 V178 Y181 I239 L330	I146-D148 VanDerWaalsContact C-N 3.26Å; I146-D148 PolarHBondContact O-N 3.33Å; I146-V149 WeakPolarHBondContact O-CB 3.48Å; I146-V149 PolarHBondContact O-N 2.96Å; I146-V149 VanDerWaalsContact O-N 3.13Å; I146-E150 PolarHBondContact O-N 3.11Å; I146-V178 HydrophobicContact CG2-CB 4.37Å; I146-V178 HydrophobicContact CG2-CG1 4.28Å; I146-V178 HydrophobicContact CG2-CG2 3.73Å; I146-Y181 HydrophobicContact CD1-CD1 3.7Å; I146-Y181 HydrophobicContact CD1-CD2 3.83Å; I146-Y181 HydrophobicContact CD1-CE1 3.33Å; I146-Y181 HydrophobicContact CD1-CE2 3.44Å; I146-Y181 VanDerWaalsContact CD1-CE2 3.44Å; I146-Y181 HydrophobicContact CD1-CG 3.94Å; I146-I239 HydrophobicContact CD1-CG2 3.38Å; I146-I239 HydrophobicContact CG1-CG2 3.59Å; I146-I239 HydrophobicContact CG2-CD1 4.22Å; I146-I239 HydrophobicContact CG2-CG2 4.24Å; I146-L330 HydrophobicContact CG1-CD1 4.31Å; I146-L330 HydrophobicContact CG1-CD2 4.34Å
147	S	96.6	Very high	96	Very high	50 Å²	50	51.9 Å²	51.9	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-64.8	-26.9	166.2	45.2	0	0	0	0	113.2	Y145 K151 Y182	Y145-S147 VanDerWaalsContact C-N 3.27Å; Y145-S147 PolarHBondContact O-N 2.77Å; S147-K151 WeakPolarHBondContact O-CB 3.22Å; S147-K151 PolarHBondContact O-N 2.87Å; S147-K151 VanDerWaalsContact O-N 3.17Å; S147-Y182 PolarHBondContact N-OH 2.93Å; S147-Y182 PolarHBondContact OG-OH 3.41Å
148	D	97.3	Very high	95.9	Very high	39 Å²	39	55 Å²	55	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-76.4	-35.4	169.7	-60.2	-68.4	0	0	0	110.9	F144 Y145 I146 K151 Y152	F144-D148 HydrophobicContact CD1-CB 4.43Å; F144-D148 HydrophobicContact CD2-CB 3.5Å; F144-D148 HydrophobicContact CE1-CB 4.34Å; F144-D148 HydrophobicContact CE2-CB 3.4Å; F144-D148 HydrophobicContact CG-CB 4.04Å; F144-D148 HydrophobicContact CZ-CB 3.84Å; Y145-D148 PolarHBondContact N-OD2 3.32Å; Y145-D148 WeakPolarHBondContact O-CA 3.49Å; Y145-D148 VanDerWaalsContact O-CB 3.3Å; Y145-D148 WeakPolarHBondContact O-CB 3.4Å; Y145-D148 PolarHBondContact O-N 3.18Å; I146-D148 VanDerWaalsContact C-N 3.26Å; I146-D148 PolarHBondContact O-N 3.33Å; D148-K151 PolarHBondContact O-N 2.86Å; D148-Y152 HydrophobicContact CB-CD2 4.44Å; D148-Y152 WeakPolarHBondContact O-CB 3.45Å; D148-Y152 VanDerWaalsContact O-CD2 3.29Å; D148-Y152 WeakPolarHBondContact O-CD2 3.45Å; D148-Y152 PolarHBondContact O-N 3.36Å
149	V	97.1	Very high	95.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-50.5	172.2	-176.9	0	0	0	0	110.3	F144 Y145 I146 K151 Y152 V153 L174 L195 M202 I239 L330	F144-V149 HydrophobicContact CE1-CG2 3.6Å; F144-V149 HydrophobicContact CZ-CG2 3.99Å; Y145-V149 PolarHBondContact O-N 2.97Å; I146-V149 WeakPolarHBondContact O-CB 3.48Å; I146-V149 PolarHBondContact O-N 2.96Å; I146-V149 VanDerWaalsContact O-N 3.13Å; V149-K151 VanDerWaalsContact C-N 3.29Å; V149-K151 PolarHBondContact O-N 3.18Å; V149-Y152 PolarHBondContact O-N 3.39Å; V149-V153 HydrophobicContact CG1-CG2 4Å; V149-V153 VanDerWaalsContact O-CB 3.29Å; V149-V153 WeakPolarHBondContact O-CB 3.48Å; V149-V153 WeakPolarHBondContact O-CG2 3.19Å; V149-V153 PolarHBondContact O-N 3.09Å; V149-L174 HydrophobicContact CG1-CD2 4.37Å; V149-L195 HydrophobicContact CG1-CD2 4.07Å; V149-M202 HydrophobicContact CB-SD 4.38Å; V149-M202 HydrophobicContact CG1-CE 3.97Å; V149-M202 HydrophobicContact CG1-SD 4.07Å; V149-M202 HydrophobicContact CG2-SD 4.14Å; V149-I239 HydrophobicContact CG1-CD1 4.2Å; V149-L330 HydrophobicContact CG2-CD1 4.36Å
150	E	97.1	Very high	95.6	Very high	41 Å²	41	54.6 Å²	54.6	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-51.3	-47.9	172.9	-169.7	-161.5	164.1	0	0	111.7	I146 G154 P155 V178	I146-E150 PolarHBondContact O-N 3.11Å; E150-G154 CarbonylContact O-C 3.53Å; E150-G154 VanDerWaalsContact O-CA 3.25Å; E150-G154 WeakPolarHBondContact O-CA 3.48Å; E150-G154 PolarHBondContact O-N 2.93Å; E150-P155 HydrophobicContact CG-CB 4.06Å; E150-V178 HydrophobicContact CB-CG2 3.94Å; E150-V178 HydrophobicContact CG-CG2 4.28Å
151	K	96.9	Very high	95.5	Very high	140 Å²	140	54.3 Å²	54.3	61%	0.609	30%	0.298	S	S	*	.	H	α-helix	trans	-66.9	-38	-179.6	-179.7	-179.5	176	-176.2	0	113.5	S147 D148 V149 R201	S147-K151 WeakPolarHBondContact O-CB 3.22Å; S147-K151 PolarHBondContact O-N 2.87Å; S147-K151 VanDerWaalsContact O-N 3.17Å; D148-K151 PolarHBondContact O-N 2.86Å; V149-K151 VanDerWaalsContact C-N 3.29Å; V149-K151 PolarHBondContact O-N 3.18Å; K151-R201 PolarHBondContact O-NH2 3.13Å
152	Y	96.9	Very high	95.4	Very high	77 Å²	77	51.4 Å²	51.4	30%	0.302	28%	0.279	S	S	.	.	H	α-helix	trans	-81	-38.8	-179.6	-87	-86	0	0	0	112.7	F144 D148 V149 R201 V205	F144-Y152 AromaticContact CE2-CD2 3.82Å; F144-Y152 HydrophobicContact CE2-CD2 3.82Å; F144-Y152 AromaticContact CE2-CE2 3.91Å; F144-Y152 HydrophobicContact CE2-CE2 3.91Å; F144-Y152 HydrophobicContact CZ-CD2 4.43Å; D148-Y152 HydrophobicContact CB-CD2 4.44Å; D148-Y152 WeakPolarHBondContact O-CB 3.45Å; D148-Y152 VanDerWaalsContact O-CD2 3.29Å; D148-Y152 WeakPolarHBondContact O-CD2 3.45Å; D148-Y152 PolarHBondContact O-N 3.36Å; V149-Y152 PolarHBondContact O-N 3.39Å; Y152-R201 HydrophobicContact CD1-CB 3.97Å; Y152-R201 WeakPolarHBondContact O-CB 3.42Å; Y152-R201 PolarHBondContact O-NE 2.93Å; Y152-V205 HydrophobicContact CE1-CG1 4.07Å; Y152-V205 HydrophobicContact CE1-CG2 4.43Å
153	V	96.8	Very high	95.4	Very high	19 Å²	19	47.4 Å²	47.4	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-82	-53.4	-178.8	172.9	0	0	0	0	111.6	V149 V157 L174 L195 F197 T200 M202	V149-V153 HydrophobicContact CG1-CG2 4Å; V149-V153 VanDerWaalsContact O-CB 3.29Å; V149-V153 WeakPolarHBondContact O-CB 3.48Å; V149-V153 WeakPolarHBondContact O-CG2 3.19Å; V149-V153 PolarHBondContact O-N 3.09Å; V153-V157 HydrophobicContact CG1-CB 4.04Å; V153-V157 HydrophobicContact CG1-CG1 4.02Å; V153-V157 HydrophobicContact CG1-CG2 3.9Å; V153-L174 HydrophobicContact CB-CD2 3.7Å; V153-L174 HydrophobicContact CG1-CD2 3.65Å; V153-L174 HydrophobicContact CG2-CD2 4.43Å; V153-L195 HydrophobicContact CG1-CD1 4.31Å; V153-F197 HydrophobicContact CG2-CB 4.47Å; V153-T200 HydrophobicContact CB-CG2 4.46Å; V153-T200 HydrophobicContact CG1-CG2 4.16Å; V153-T200 HydrophobicContact CG2-CG2 4.27Å; V153-M202 HydrophobicContact CG2-CB 4.41Å; V153-M202 HydrophobicContact CG2-CE 3.77Å; V153-M202 HydrophobicContact CG2-SD 4.33Å
154	G	96.2	Very high	95.4	Very high	13 Å²	13	42.5 Å²	42.5	13%	0.134	22%	0.223	C	C	.	.			trans	129.1	136.1	-177.4	0	0	0	0	0	111.9	E150 D156 V157	E150-G154 CarbonylContact O-C 3.53Å; E150-G154 VanDerWaalsContact O-CA 3.25Å; E150-G154 WeakPolarHBondContact O-CA 3.48Å; E150-G154 PolarHBondContact O-N 2.93Å; G154-D156 PolarHBondContact O-N 2.89Å; G154-V157 PolarHBondContact O-N 2.82Å
155	P	96.4	Very high	95	Very high	50 Å²	50	44.5 Å²	44.5	33%	0.325	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-37.3	-174	25.7	-34.6	0	0	0	113.6	E150 V157 K175	E150-P155 HydrophobicContact CG-CB 4.06Å; P155-V157 VanDerWaalsContact C-N 3.31Å; P155-V157 PolarHBondContact O-N 3.11Å; P155-K175 HydrophobicContact CB-CB 3.83Å; P155-K175 HydrophobicContact CB-CD 4.29Å; P155-K175 WeakPolarHBondContact O-CB 3.48Å; P155-K175 PolarHBondContact O-N 3.43Å
156	D	95.4	Very high	94.5	Very high	107 Å²	107	42.7 Å²	42.7	57%	0.572	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	6.7	-178.1	-66.2	-80.9	0	0	0	114.4	G154 P158 K173	G154-D156 PolarHBondContact O-N 2.89Å; D156-P158 WeakPolarHBondContact O-CD 3.43Å; D156-K173 IonicContact OD1-NZ 3.85Å; D156-K173 PolarHBondContact OD1-NZ 3.38Å
157	V	94.8	Very high	94.1	Very high	50 Å²	50	45.6 Å²	45.6	30%	0.303	24%	0.244	S	C	.	.			trans	-69	123.6	175.2	174.3	0	0	0	0	108.8	V153 G154 P155 V159 L174	V153-V157 HydrophobicContact CG1-CB 4.04Å; V153-V157 HydrophobicContact CG1-CG1 4.02Å; V153-V157 HydrophobicContact CG1-CG2 3.9Å; G154-V157 PolarHBondContact O-N 2.82Å; P155-V157 VanDerWaalsContact C-N 3.31Å; P155-V157 PolarHBondContact O-N 3.11Å; V157-V159 HydrophobicContact CG1-CG1 4.45Å; V157-L174 PolarHBondContact O-N 3.23Å
158	P	93.8	Very high	93.7	Very high	89 Å²	89	45.9 Å²	45.9	58%	0.578	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.3	172.9	29.9	-34	0	0	0	109.6	D156 M172	D156-P158 WeakPolarHBondContact O-CD 3.43Å; P158-M172 WeakPolarHBondContact CA-O 3.34Å
159	V	93.8	Very high	93.2	Very high	5 Å²	5	48 Å²	48	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.9	179.5	-64.9	0	0	0	0	110.7	V157 V161 M172 L174 V192 L195	V157-V159 HydrophobicContact CG1-CG1 4.45Å; V159-V161 HydrophobicContact CG2-CG2 4.01Å; V159-M172 WeakPolarHBondContact CG2-O 3.4Å; V159-M172 PolarHBondContact N-O 3.37Å; V159-M172 PolarHBondContact O-N 2.97Å; V159-L174 HydrophobicContact CG1-CB 4.02Å; V159-L174 HydrophobicContact CG1-CD1 4.34Å; V159-L174 HydrophobicContact CG2-CB 4.5Å; V159-V192 HydrophobicContact CG2-CG2 4.28Å; V159-L195 HydrophobicContact CG1-CD1 4.02Å; V159-L195 HydrophobicContact CG1-CD2 4.45Å
160	D	92.1	Very high	92.8	Very high	56 Å²	56	49.2 Å²	49.2	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.5	172.4	-53.5	-46.1	0	0	0	109.5	S170 Q171 N194	D160-S170 WeakPolarHBondContact CA-O 3.36Å; D160-Q171 WeakPolarHBondContact OD1-CG 3.24Å; D160-Q171 PolarHBondContact OD1-NE2 3.4Å; D160-N194 HydrophobicContact CB-CB 4.39Å
161	V	93.4	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.4	-175.4	176.6	0	0	0	0	109.5	V159 S170 M172 F177 L190 V192	V159-V161 HydrophobicContact CG2-CG2 4.01Å; V161-S170 PolarHBondContact N-O 3.41Å; V161-S170 PolarHBondContact O-N 2.87Å; V161-S170 PolarHBondContact O-OG 2.89Å; V161-M172 HydrophobicContact CB-CE 4.41Å; V161-M172 HydrophobicContact CB-CG 4.42Å; V161-M172 HydrophobicContact CG1-CE 4.21Å; V161-M172 HydrophobicContact CG1-SD 4.46Å; V161-M172 HydrophobicContact CG2-CE 4.46Å; V161-M172 HydrophobicContact CG2-CG 3.64Å; V161-M172 HydrophobicContact CG2-SD 3.98Å; V161-F177 HydrophobicContact CG1-CD2 4.07Å; V161-F177 HydrophobicContact CG1-CE2 4.1Å; V161-F177 HydrophobicContact CG2-CD2 3.82Å; V161-F177 HydrophobicContact CG2-CE2 4.4Å; V161-F177 HydrophobicContact CG2-CG 4.47Å; V161-L190 HydrophobicContact CG1-CB 3.68Å; V161-L190 HydrophobicContact CG1-CD1 4.31Å; V161-L190 HydrophobicContact CG1-CD2 4.23Å; V161-L190 HydrophobicContact CG1-CG 4.29Å; V161-V192 HydrophobicContact CG2-CG2 3.8Å
162	V	92.6	Very high	92.3	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.073	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122	176.6	-166.8	0	0	0	0	109.4	V164 L190 N191 I193	V162-V164 PolarHBondContact O-N 2.8Å; V162-L190 WeakPolarHBondContact O-CA 3.26Å; V162-N191 HydrophobicContact CB-CB 4.44Å; V162-N191 PolarHBondContact N-O 2.73Å; V162-N191 PolarHBondContact O-N 2.83Å; V162-I193 HydrophobicContact CG2-CD1 4.03Å; V162-I193 HydrophobicContact CG2-CG1 4.06Å
163	D	92.8	Very high	92.2	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	101.7	159.5	-174.3	-39.6	0	0	0	107.7	T165 K166 Q167 T168 L190	D163-T165 PolarHBondContact O-N 2.81Å; D163-T165 WeakPolarHBondContact OD1-CA 3.29Å; D163-T165 VanDerWaalsContact OD1-CB 3.32Å; D163-T165 WeakPolarHBondContact OD1-CB 3.17Å; D163-T165 PolarHBondContact OD1-N 2.69Å; D163-T165 PolarHBondContact OD1-OG1 3.37Å; D163-K166 HydrophobicContact CB-CB 4.19Å; D163-K166 HydrophobicContact CB-CG 4.39Å; D163-K166 PolarHBondContact O-N 2.87Å; D163-K166 VanDerWaalsContact O-N 3.15Å; D163-K166 PolarHBondContact OD1-N 2.8Å; D163-Q167 WeakPolarHBondContact O-CA 3.4Å; D163-Q167 PolarHBondContact O-N 3.43Å; D163-T168 PolarHBondContact N-O 3.03Å; D163-T168 PolarHBondContact O-N 3.47Å; D163-L190 HydrophobicContact CB-CD2 4.08Å
164	V	92.9	Very high	92.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.7	-177.2	170.5	0	0	0	0	111.6	G85 V162 Q167 V189 N191	G85-V164 CarbonylContact C-O 3.44Å; G85-V164 WeakPolarHBondContact CA-O 3.23Å; V162-V164 PolarHBondContact O-N 2.8Å; V164-Q167 PolarHBondContact O-NE2 3.17Å; V164-V189 HydrophobicContact CB-CB 4.1Å; V164-V189 HydrophobicContact CB-CG1 3.78Å; V164-V189 WeakPolarHBondContact CB-O 3.07Å; V164-V189 HydrophobicContact CG1-CG1 4.13Å; V164-V189 HydrophobicContact CG2-CG1 4.05Å; V164-V189 PolarHBondContact N-O 2.78Å; V164-N191 HydrophobicContact CG2-CB 3.79Å
165	T	89.3	Confident	92.2	Very high	53 Å²	53	52.8 Å²	52.8	33%	0.325	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-23	179.7	15.6	0	0	0	0	113.8	Q87 D163	Q87-T165 HydrophobicContact CG-CG2 4.31Å; D163-T165 PolarHBondContact O-N 2.81Å; D163-T165 WeakPolarHBondContact OD1-CA 3.29Å; D163-T165 VanDerWaalsContact OD1-CB 3.32Å; D163-T165 WeakPolarHBondContact OD1-CB 3.17Å; D163-T165 PolarHBondContact OD1-N 2.69Å; D163-T165 PolarHBondContact OD1-OG1 3.37Å
166	K	86.8	Confident	92.2	Very high	86 Å²	86	55 Å²	55	37%	0.374	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-19.1	173.5	-63	-173.5	-175.4	-168	0	113.7	D40 D163 T168	D40-K166 PolarHBondContact O-NZ 3.11Å; D40-K166 IonicContact OD1-NZ 2.71Å; D40-K166 PolarHBondContact OD1-NZ 2.83Å; D163-K166 HydrophobicContact CB-CB 4.19Å; D163-K166 HydrophobicContact CB-CG 4.39Å; D163-K166 PolarHBondContact O-N 2.87Å; D163-K166 VanDerWaalsContact O-N 3.15Å; D163-K166 PolarHBondContact OD1-N 2.8Å; K166-T168 VanDerWaalsContact C-N 3.25Å; K166-T168 HydrophobicContact CB-CG2 4Å; K166-T168 VanDerWaalsContact CB-OG1 3.24Å; K166-T168 WeakPolarHBondContact CB-OG1 3.36Å
167	Q	87	Confident	92.2	Very high	66 Å²	66	50 Å²	50	31%	0.308	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	40	-164.4	-61.9	-70.6	-71.2	0	0	112.4	N84 D163 V164 Y245	N84-Q167 WeakPolarHBondContact O-CG 3.18Å; D163-Q167 WeakPolarHBondContact O-CA 3.4Å; D163-Q167 PolarHBondContact O-N 3.43Å; V164-Q167 PolarHBondContact O-NE2 3.17Å; Q167-Y245 PolarHBondContact NE2-O 2.91Å
168	T	87.5	Confident	92.3	Very high	56 Å²	56	47.7 Å²	47.7	34%	0.344	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143	178.7	55.2	0	0	0	0	111.6	D163 K166	D163-T168 PolarHBondContact N-O 3.03Å; D163-T168 PolarHBondContact O-N 3.47Å; K166-T168 VanDerWaalsContact C-N 3.25Å; K166-T168 HydrophobicContact CB-CG2 4Å; K166-T168 VanDerWaalsContact CB-OG1 3.24Å; K166-T168 WeakPolarHBondContact CB-OG1 3.36Å
169	D	87.2	Confident	92.4	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	144.5	174.6	-54.4	-75.1	0	0	0	111.4
170	S	88.8	Confident	92.5	Very high	27 Å²	27	49.3 Å²	49.3	19%	0.189	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.8	177.7	64.1	0	0	0	0	109.7	D160 V161	D160-S170 WeakPolarHBondContact CA-O 3.36Å; V161-S170 PolarHBondContact N-O 3.41Å; V161-S170 PolarHBondContact O-N 2.87Å; V161-S170 PolarHBondContact O-OG 2.89Å
171	Q	90.8	Very high	92.6	Very high	140 Å²	140	47.9 Å²	47.9	65%	0.654	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.4	173.7	-74.7	-170	-11.8	0	0	111.9	D160	D160-Q171 WeakPolarHBondContact OD1-CG 3.24Å; D160-Q171 PolarHBondContact OD1-NE2 3.4Å
172	M	93	Very high	92.7	Very high	49 Å²	49	53 Å²	53	24%	0.241	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	172.1	172.3	60.1	-179.3	64.3	0	0	109.6	P158 V159 V161 E176 F177 L190	P158-M172 WeakPolarHBondContact CA-O 3.34Å; V159-M172 WeakPolarHBondContact CG2-O 3.4Å; V159-M172 PolarHBondContact N-O 3.37Å; V159-M172 PolarHBondContact O-N 2.97Å; V161-M172 HydrophobicContact CB-CE 4.41Å; V161-M172 HydrophobicContact CB-CG 4.42Å; V161-M172 HydrophobicContact CG1-CE 4.21Å; V161-M172 HydrophobicContact CG1-SD 4.46Å; V161-M172 HydrophobicContact CG2-CE 4.46Å; V161-M172 HydrophobicContact CG2-CG 3.64Å; V161-M172 HydrophobicContact CG2-SD 3.98Å; M172-E176 HydrophobicContact CB-CB 4.47Å; M172-F177 HydrophobicContact CG-CB 4.45Å; M172-F177 HydrophobicContact SD-CB 4.01Å; M172-F177 HydrophobicContact SD-CD2 4.2Å; M172-L190 HydrophobicContact CE-CD1 4.01Å
173	K	95.9	Very high	92.8	Very high	80 Å²	80	54.9 Å²	54.9	35%	0.348	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.3	174.3	-61.9	-176.8	177.3	-172.6	0	111.2	D156 K175 E176 F177	D156-K173 IonicContact OD1-NZ 3.85Å; D156-K173 PolarHBondContact OD1-NZ 3.38Å; K173-K175 PolarHBondContact O-N 3.26Å; K173-E176 HydrophobicContact CB-CB 4.38Å; K173-E176 HydrophobicContact CB-CG 4.12Å; K173-E176 WeakPolarHBondContact CB-OE2 3.33Å; K173-E176 WeakPolarHBondContact CD-OE1 3.35Å; K173-E176 PolarHBondContact N-OE2 3.28Å; K173-E176 WeakPolarHBondContact O-CB 3.49Å; K173-E176 PolarHBondContact O-N 3.47Å; K173-F177 PolarHBondContact O-N 2.87Å; K173-F177 VanDerWaalsContact O-N 3.07Å
174	L	96.4	Very high	92.4	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-53.6	-40	173.6	178.7	56.1	0	0	0	111.6	V149 V153 V157 V159 F177 V178 L195 I239	V149-L174 HydrophobicContact CG1-CD2 4.37Å; V153-L174 HydrophobicContact CB-CD2 3.7Å; V153-L174 HydrophobicContact CG1-CD2 3.65Å; V153-L174 HydrophobicContact CG2-CD2 4.43Å; V157-L174 PolarHBondContact O-N 3.23Å; V159-L174 HydrophobicContact CG1-CB 4.02Å; V159-L174 HydrophobicContact CG1-CD1 4.34Å; V159-L174 HydrophobicContact CG2-CB 4.5Å; L174-F177 PolarHBondContact O-N 2.99Å; L174-V178 HydrophobicContact CD1-CG2 4.23Å; L174-V178 HydrophobicContact CG-CG2 4.34Å; L174-V178 WeakPolarHBondContact O-CG2 3.5Å; L174-V178 PolarHBondContact O-N 3.32Å; L174-L195 HydrophobicContact CD1-CD2 4.21Å; L174-I239 HydrophobicContact CD1-CD1 4.34Å
175	K	96.4	Very high	92.1	Very high	96 Å²	96	67.5 Å²	67.5	42%	0.417	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-43.9	175	-177.7	178.4	176.1	-167	0	113.2	P155 K173 F177 V178 D179	P155-K175 HydrophobicContact CB-CB 3.83Å; P155-K175 HydrophobicContact CB-CD 4.29Å; P155-K175 WeakPolarHBondContact O-CB 3.48Å; P155-K175 PolarHBondContact O-N 3.43Å; K173-K175 PolarHBondContact O-N 3.26Å; K175-F177 PolarHBondContact O-N 3.06Å; K175-V178 WeakPolarHBondContact O-CB 3.29Å; K175-V178 PolarHBondContact O-N 2.94Å; K175-D179 WeakPolarHBondContact CE-OD2 3.5Å; K175-D179 PolarHBondContact O-N 3.23Å
176	E	95.3	Very high	92.1	Very high	97 Å²	97	68.7 Å²	68.7	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-37.8	179	-69.9	151.3	-171	0	0	110.6	M172 K173 Y180	M172-E176 HydrophobicContact CB-CB 4.47Å; K173-E176 HydrophobicContact CB-CB 4.38Å; K173-E176 HydrophobicContact CB-CG 4.12Å; K173-E176 WeakPolarHBondContact CB-OE2 3.33Å; K173-E176 WeakPolarHBondContact CD-OE1 3.35Å; K173-E176 PolarHBondContact N-OE2 3.28Å; K173-E176 WeakPolarHBondContact O-CB 3.49Å; K173-E176 PolarHBondContact O-N 3.47Å; E176-Y180 WeakPolarHBondContact O-CB 3.34Å; E176-Y180 PolarHBondContact O-N 3.09Å
177	F	96.1	Very high	92	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-36.4	171.4	-172.9	-92.7	0	0	0	113.4	V161 M172 K173 L174 K175 Y180 Y181 L190 V192 I239	V161-F177 HydrophobicContact CG1-CD2 4.07Å; V161-F177 HydrophobicContact CG1-CE2 4.1Å; V161-F177 HydrophobicContact CG2-CD2 3.82Å; V161-F177 HydrophobicContact CG2-CE2 4.4Å; V161-F177 HydrophobicContact CG2-CG 4.47Å; M172-F177 HydrophobicContact CG-CB 4.45Å; M172-F177 HydrophobicContact SD-CB 4.01Å; M172-F177 HydrophobicContact SD-CD2 4.2Å; K173-F177 PolarHBondContact O-N 2.87Å; K173-F177 VanDerWaalsContact O-N 3.07Å; L174-F177 PolarHBondContact O-N 2.99Å; K175-F177 PolarHBondContact O-N 3.06Å; F177-Y180 HydrophobicContact CD2-CD1 4.13Å; F177-Y180 HydrophobicContact CE2-CD1 4.01Å; F177-Y180 HydrophobicContact CE2-CE1 4.13Å; F177-Y180 PolarHBondContact O-N 2.84Å; F177-Y181 WeakPolarHBondContact O-CB 3.37Å; F177-Y181 PolarHBondContact O-N 2.72Å; F177-L190 HydrophobicContact CE2-CB 3.92Å; F177-V192 HydrophobicContact CD1-CG2 3.77Å; F177-V192 HydrophobicContact CD2-CG2 3.83Å; F177-V192 HydrophobicContact CE1-CB 4.27Å; F177-V192 HydrophobicContact CE1-CG2 3.72Å; F177-V192 HydrophobicContact CE2-CG2 3.78Å; F177-V192 HydrophobicContact CG-CG2 3.83Å; F177-V192 HydrophobicContact CZ-CB 4.28Å; F177-V192 HydrophobicContact CZ-CG2 3.73Å; F177-I239 HydrophobicContact CE1-CB 3.87Å; F177-I239 HydrophobicContact CE1-CG2 3.72Å
178	V	96.6	Very high	92.2	Very high	3 Å²	3	72.2 Å²	72.2	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-44.4	175.5	174.5	0	0	0	0	111	I146 E150 L174 K175 Y181 Y182	I146-V178 HydrophobicContact CG2-CB 4.37Å; I146-V178 HydrophobicContact CG2-CG1 4.28Å; I146-V178 HydrophobicContact CG2-CG2 3.73Å; E150-V178 HydrophobicContact CB-CG2 3.94Å; E150-V178 HydrophobicContact CG-CG2 4.28Å; L174-V178 HydrophobicContact CD1-CG2 4.23Å; L174-V178 HydrophobicContact CG-CG2 4.34Å; L174-V178 WeakPolarHBondContact O-CG2 3.5Å; L174-V178 PolarHBondContact O-N 3.32Å; K175-V178 WeakPolarHBondContact O-CB 3.29Å; K175-V178 PolarHBondContact O-N 2.94Å; V178-Y181 PolarHBondContact O-N 3.34Å; V178-Y182 HydrophobicContact CG1-CD2 3.82Å; V178-Y182 HydrophobicContact CG1-CE2 3.73Å; V178-Y182 WeakPolarHBondContact O-CD2 3.47Å; V178-Y182 PolarHBondContact O-N 3.36Å
179	D	95.4	Very high	92.5	Very high	93 Å²	93	70.6 Å²	70.6	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175.5	-73.8	-31.3	0	0	0	110.9	K175 S183	K175-D179 WeakPolarHBondContact CE-OD2 3.5Å; K175-D179 PolarHBondContact O-N 3.23Å; D179-S183 PolarHBondContact O-N 3.25Å; D179-S183 VanDerWaalsContact O-N 3.14Å
180	Y	95.4	Very high	92.8	Very high	34 Å²	34	67.2 Å²	67.2	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-44.4	168.9	159.2	-92.4	0	0	0	112.3	E176 F177 Y182 S183 R186 K188 L190 V241	E176-Y180 WeakPolarHBondContact O-CB 3.34Å; E176-Y180 PolarHBondContact O-N 3.09Å; F177-Y180 HydrophobicContact CD2-CD1 4.13Å; F177-Y180 HydrophobicContact CE2-CD1 4.01Å; F177-Y180 HydrophobicContact CE2-CE1 4.13Å; F177-Y180 PolarHBondContact O-N 2.84Å; Y180-Y182 PolarHBondContact O-N 3.19Å; Y180-S183 WeakPolarHBondContact O-CB 3.32Å; Y180-S183 PolarHBondContact O-N 3.02Å; Y180-R186 HydrophobicContact CD2-CG 4.48Å; Y180-R186 HydrophobicContact CE2-CB 3.79Å; Y180-R186 HydrophobicContact CE2-CG 3.9Å; Y180-K188 PolarHBondContact OH-O 2.66Å; Y180-L190 HydrophobicContact CD1-CB 4.28Å; Y180-L190 HydrophobicContact CD1-CD1 4.32Å; Y180-L190 HydrophobicContact CD2-CD1 3.95Å; Y180-L190 HydrophobicContact CE1-CB 3.64Å; Y180-L190 HydrophobicContact CE1-CD1 4.27Å; Y180-L190 HydrophobicContact CE1-CG 4.2Å; Y180-L190 HydrophobicContact CE2-CB 4.34Å; Y180-L190 HydrophobicContact CE2-CD1 3.86Å; Y180-L190 HydrophobicContact CE2-CG 4Å; Y180-L190 HydrophobicContact CG-CD1 4.19Å; Y180-L190 PolarHBondContact OH-N 2.99Å; Y180-V241 HydrophobicContact CE1-CG1 3.91Å
181	Y	95.8	Very high	93.1	Very high	27 Å²	27	66 Å²	66	11%	0.106	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-44	-176.7	-177.9	-82	0	0	0	111.1	I146 F177 V178 S183 R186 I239 V241 D328	I146-Y181 HydrophobicContact CD1-CD1 3.7Å; I146-Y181 HydrophobicContact CD1-CD2 3.83Å; I146-Y181 HydrophobicContact CD1-CE1 3.33Å; I146-Y181 HydrophobicContact CD1-CE2 3.44Å; I146-Y181 VanDerWaalsContact CD1-CE2 3.44Å; I146-Y181 HydrophobicContact CD1-CG 3.94Å; F177-Y181 WeakPolarHBondContact O-CB 3.37Å; F177-Y181 PolarHBondContact O-N 2.72Å; V178-Y181 PolarHBondContact O-N 3.34Å; Y181-S183 VanDerWaalsContact C-N 3.27Å; Y181-S183 PolarHBondContact O-N 2.84Å; Y181-R186 VanDerWaalsContact O-CZ 3.28Å; Y181-R186 PolarHBondContact O-NE 3.42Å; Y181-R186 PolarHBondContact O-NH2 3.17Å; Y181-I239 HydrophobicContact CD2-CG2 4.11Å; Y181-I239 HydrophobicContact CE2-CG2 4.16Å; Y181-V241 HydrophobicContact CD2-CG1 3.78Å; Y181-V241 HydrophobicContact CE2-CG1 4.08Å; Y181-D328 WeakPolarHBondContact OH-CB 3.47Å
182	Y	95.4	Very high	93.3	Very high	108 Å²	108	59.3 Å²	59.3	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-80.9	-2.8	177.5	-65.8	-60.2	0	0	0	114.3	S147 V178 Y180	S147-Y182 PolarHBondContact N-OH 2.93Å; S147-Y182 PolarHBondContact OG-OH 3.41Å; V178-Y182 HydrophobicContact CG1-CD2 3.82Å; V178-Y182 HydrophobicContact CG1-CE2 3.73Å; V178-Y182 WeakPolarHBondContact O-CD2 3.47Å; V178-Y182 PolarHBondContact O-N 3.36Å; Y180-Y182 PolarHBondContact O-N 3.19Å
183	S	94.1	Very high	93.3	Very high	50 Å²	50	58.7 Å²	58.7	35%	0.35	28%	0.284	S	S	.	.			trans	-61.6	134.7	172.2	-178.6	0	0	0	0	112.2	D179 Y180 Y181 N185	D179-S183 PolarHBondContact O-N 3.25Å; D179-S183 VanDerWaalsContact O-N 3.14Å; Y180-S183 WeakPolarHBondContact O-CB 3.32Å; Y180-S183 PolarHBondContact O-N 3.02Å; Y181-S183 VanDerWaalsContact C-N 3.27Å; Y181-S183 PolarHBondContact O-N 2.84Å; S183-N185 PolarHBondContact O-N 2.61Å; S183-N185 PolarHBondContact OG-N 3.23Å
184	T	85.1	Confident	93	Very high	155 Å²	155	57.5 Å²	57.5	95%	0.951	28%	0.282	S	S	*	.	S	Bend	trans	-72.6	-8.4	174.2	55.6	0	0	0	0	113.6
185	N	85.9	Confident	92.9	Very high	116 Å²	116	58.1 Å²	58.1	62%	0.62	29%	0.285	S	S	*	.			trans	-139.6	79.9	-176.5	-172.5	10.5	0	0	0	111.8	S183 K187	S183-N185 PolarHBondContact O-N 2.61Å; S183-N185 PolarHBondContact OG-N 3.23Å; N185-K187 PolarHBondContact O-N 3Å
186	R	88.8	Confident	92.8	Very high	77 Å²	77	55.4 Å²	55.4	29%	0.291	27%	0.274	S	S	.	.			trans	-79.8	101.1	176.4	-57.8	-176.1	-162.3	143.2	-0.8	110.3	Y180 Y181 D328	Y180-R186 HydrophobicContact CD2-CG 4.48Å; Y180-R186 HydrophobicContact CE2-CB 3.79Å; Y180-R186 HydrophobicContact CE2-CG 3.9Å; Y181-R186 VanDerWaalsContact O-CZ 3.28Å; Y181-R186 PolarHBondContact O-NE 3.42Å; Y181-R186 PolarHBondContact O-NH2 3.17Å; R186-D328 IonicContact CZ-OD1 2.69Å; R186-D328 IonicContact CZ-OD2 2.71Å; R186-D328 VanDerWaalsContact NH1-CG 3.31Å; R186-D328 IonicContact NH1-OD1 2.68Å; R186-D328 PolarHBondContact NH1-OD1 3.13Å; R186-D328 IonicContact NH1-OD2 2.63Å; R186-D328 PolarHBondContact NH1-OD2 2.89Å; R186-D328 IonicContact NH2-OD1 3.52Å; R186-D328 IonicContact NH2-OD2 2.66Å; R186-D328 PolarHBondContact NH2-OD2 3.3Å
187	K	85.6	Confident	92.8	Very high	180 Å²	180	50.9 Å²	50.9	78%	0.783	25%	0.253	S	S	*	.	S	Bend	trans	-69.1	-41.7	179	-63.6	-179.6	-174.2	170.9	0	113.6	N185	N185-K187 PolarHBondContact O-N 3Å
188	K	90.3	Very high	92.6	Very high	47 Å²	47	52.2 Å²	52.2	20%	0.204	26%	0.262	C	S	.	.	S	Bend	trans	-100.8	157.8	175.1	-64.8	178.6	179.3	173.5	0	109.5	D41 Y180 L190	D41-K188 WeakPolarHBondContact OD1-CE 3.29Å; D41-K188 IonicContact OD1-NZ 3.6Å; D41-K188 PolarHBondContact OD1-NZ 3.17Å; Y180-K188 PolarHBondContact OH-O 2.66Å; K188-L190 HydrophobicContact CB-CD2 3.75Å; K188-L190 HydrophobicContact CB-CG 3.92Å; K188-L190 HydrophobicContact CD-CD2 4.15Å
189	V	93.8	Very high	92.3	Very high	21 Å²	21	58 Å²	58	13%	0.127	29%	0.293	C	S	.	.			trans	-100.6	99.9	170.8	-179.4	0	0	0	0	107.8	V164 V241	V164-V189 HydrophobicContact CB-CB 4.1Å; V164-V189 HydrophobicContact CB-CG1 3.78Å; V164-V189 WeakPolarHBondContact CB-O 3.07Å; V164-V189 HydrophobicContact CG1-CG1 4.13Å; V164-V189 HydrophobicContact CG2-CG1 4.05Å; V164-V189 PolarHBondContact N-O 2.78Å; V189-V241 HydrophobicContact CG1-CG2 3.79Å
190	L	94.8	Very high	92.3	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.1	-173.4	-55.8	-177.8	0	0	0	111.1	V161 V162 D163 M172 F177 Y180 K188 V241	V161-L190 HydrophobicContact CG1-CB 3.68Å; V161-L190 HydrophobicContact CG1-CD1 4.31Å; V161-L190 HydrophobicContact CG1-CD2 4.23Å; V161-L190 HydrophobicContact CG1-CG 4.29Å; V162-L190 WeakPolarHBondContact O-CA 3.26Å; D163-L190 HydrophobicContact CB-CD2 4.08Å; M172-L190 HydrophobicContact CE-CD1 4.01Å; F177-L190 HydrophobicContact CE2-CB 3.92Å; Y180-L190 HydrophobicContact CD1-CB 4.28Å; Y180-L190 HydrophobicContact CD1-CD1 4.32Å; Y180-L190 HydrophobicContact CD2-CD1 3.95Å; Y180-L190 HydrophobicContact CE1-CB 3.64Å; Y180-L190 HydrophobicContact CE1-CD1 4.27Å; Y180-L190 HydrophobicContact CE1-CG 4.2Å; Y180-L190 HydrophobicContact CE2-CB 4.34Å; Y180-L190 HydrophobicContact CE2-CD1 3.86Å; Y180-L190 HydrophobicContact CE2-CG 4Å; Y180-L190 HydrophobicContact CG-CD1 4.19Å; Y180-L190 PolarHBondContact OH-N 2.99Å; K188-L190 HydrophobicContact CB-CD2 3.75Å; K188-L190 HydrophobicContact CB-CG 3.92Å; K188-L190 HydrophobicContact CD-CD2 4.15Å; L190-V241 WeakPolarHBondContact O-CG2 3.32Å
191	N	94.2	Very high	92.3	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.4	-168.1	-178.2	24.3	0	0	0	111.7	V162 V164 I239 C240	V162-N191 HydrophobicContact CB-CB 4.44Å; V162-N191 PolarHBondContact N-O 2.73Å; V162-N191 PolarHBondContact O-N 2.83Å; V164-N191 HydrophobicContact CG2-CB 3.79Å; N191-I239 PolarHBondContact OD1-O 2.68Å; N191-C240 WeakPolarHBondContact OD1-CA 3.49Å; N191-C240 WeakPolarHBondContact OD1-CB 3.15Å; N191-C240 PolarHBondContact OD1-SG 3.34Å
192	V	95.6	Very high	92.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.2	172.9	170.9	0	0	0	0	109.1	V159 V161 F177 L195 L238 I239	V159-V192 HydrophobicContact CG2-CG2 4.28Å; V161-V192 HydrophobicContact CG2-CG2 3.8Å; F177-V192 HydrophobicContact CD1-CG2 3.77Å; F177-V192 HydrophobicContact CD2-CG2 3.83Å; F177-V192 HydrophobicContact CE1-CB 4.27Å; F177-V192 HydrophobicContact CE1-CG2 3.72Å; F177-V192 HydrophobicContact CE2-CG2 3.78Å; F177-V192 HydrophobicContact CG-CG2 3.83Å; F177-V192 HydrophobicContact CZ-CB 4.28Å; F177-V192 HydrophobicContact CZ-CG2 3.73Å; V192-L195 HydrophobicContact CG1-CB 3.58Å; V192-L195 HydrophobicContact CG1-CD2 4.3Å; V192-L238 WeakPolarHBondContact O-CA 3.27Å; V192-I239 HydrophobicContact CB-CB 4.2Å; V192-I239 PolarHBondContact N-O 3.26Å; V192-I239 PolarHBondContact O-N 3.42Å
193	I	92.9	Very high	92.2	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.179	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-23.3	177.3	55.6	172.5	0	0	0	114	V162 L238 T246	V162-I193 HydrophobicContact CG2-CD1 4.03Å; V162-I193 HydrophobicContact CG2-CG1 4.06Å; I193-L238 HydrophobicContact CB-CD2 4.2Å; I193-L238 HydrophobicContact CG2-CD2 4.44Å; I193-L238 WeakPolarHBondContact O-CD2 3.15Å; I193-T246 HydrophobicContact CD1-CG2 4.35Å
194	N	89.6	Confident	92.2	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	11.8	-172.7	-65.9	-17.6	0	0	0	114.3	D160 E196	D160-N194 HydrophobicContact CB-CB 4.39Å; N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 3.37Å
195	L	94.3	Very high	92.7	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	83.2	179.2	175.4	53.7	0	0	0	111.4	V149 V153 V159 L174 V192 Y236 C237 I239	V149-L195 HydrophobicContact CG1-CD2 4.07Å; V153-L195 HydrophobicContact CG1-CD1 4.31Å; V159-L195 HydrophobicContact CG1-CD1 4.02Å; V159-L195 HydrophobicContact CG1-CD2 4.45Å; L174-L195 HydrophobicContact CD1-CD2 4.21Å; V192-L195 HydrophobicContact CG1-CB 3.58Å; V192-L195 HydrophobicContact CG1-CD2 4.3Å; L195-Y236 CarbonylContact O-C 3.48Å; L195-Y236 WeakPolarHBondContact O-CA 3.24Å; L195-C237 HydrophobicContact CB-CB 4.5Å; L195-C237 HydrophobicContact CD2-CB 4.18Å; L195-C237 HydrophobicContact CG-CB 4.18Å; L195-C237 PolarHBondContact O-N 2.87Å; L195-I239 HydrophobicContact CD2-CD1 4.4Å
196	E	93.5	Very high	93.2	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.2	167.1	-143.4	-68.6	150.3	0	0	109.3	N194 S198 K232 K235 Y236	N194-E196 VanDerWaalsContact C-N 3.31Å; N194-E196 PolarHBondContact O-N 3.37Å; E196-S198 VanDerWaalsContact OE1-CB 3.31Å; E196-S198 WeakPolarHBondContact OE1-CB 3.49Å; E196-S198 PolarHBondContact OE1-OG 3.42Å; E196-S198 VanDerWaalsContact OE2-CB 3.29Å; E196-S198 WeakPolarHBondContact OE2-CB 2.83Å; E196-S198 PolarHBondContact OE2-N 3.04Å; E196-S198 PolarHBondContact OE2-OG 2.83Å; E196-K232 HydrophobicContact CG-CB 4.06Å; E196-K235 WeakPolarHBondContact CA-O 3.46Å; E196-K235 PolarHBondContact OE1-N 3.42Å; E196-Y236 HydrophobicContact CB-CD1 3.88Å; E196-Y236 HydrophobicContact CB-CE1 3.68Å; E196-Y236 HydrophobicContact CG-CD1 4Å; E196-Y236 HydrophobicContact CG-CE1 3.68Å
197	F	94.9	Very high	93.5	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.238	C	C	.	.			trans	-134.1	14.2	-172.1	69.5	-97	0	0	0	114.9	V153 D199 T200 M202 V206 K235 Y236 C237 F332	V153-F197 HydrophobicContact CG2-CB 4.47Å; F197-D199 VanDerWaalsContact C-N 3.26Å; F197-D199 PolarHBondContact O-N 3.4Å; F197-T200 HydrophobicContact CB-CG2 4.05Å; F197-T200 WeakPolarHBondContact O-CB 3.46Å; F197-T200 PolarHBondContact O-N 2.88Å; F197-T200 PolarHBondContact O-OG1 2.83Å; F197-M202 HydrophobicContact CB-CE 3.75Å; F197-M202 HydrophobicContact CD1-CE 3.51Å; F197-M202 HydrophobicContact CD2-CB 3.61Å; F197-M202 HydrophobicContact CD2-CE 3.71Å; F197-M202 HydrophobicContact CD2-CG 3.88Å; F197-M202 HydrophobicContact CE1-CE 3.92Å; F197-M202 HydrophobicContact CE2-CB 4.06Å; F197-M202 HydrophobicContact CE2-CE 4.1Å; F197-M202 HydrophobicContact CE2-CG 3.88Å; F197-M202 HydrophobicContact CG-CB 4.29Å; F197-M202 HydrophobicContact CG-CE 3.37Å; F197-M202 HydrophobicContact CZ-CE 4.19Å; F197-V206 HydrophobicContact CE2-CB 3.85Å; F197-V206 HydrophobicContact CE2-CG1 4.48Å; F197-V206 HydrophobicContact CE2-CG2 4.14Å; F197-V206 HydrophobicContact CZ-CB 3.68Å; F197-V206 HydrophobicContact CZ-CG1 3.89Å; F197-V206 HydrophobicContact CZ-CG2 3.85Å; F197-K235 HydrophobicContact CD1-CB 4.23Å; F197-K235 WeakPolarHBondContact CD1-O 3.19Å; F197-K235 HydrophobicContact CD2-CB 4.28Å; F197-K235 HydrophobicContact CE1-CB 3.87Å; F197-K235 WeakPolarHBondContact CE1-O 3.26Å; F197-K235 HydrophobicContact CE2-CB 3.93Å; F197-K235 HydrophobicContact CE2-CD 4.14Å; F197-K235 HydrophobicContact CG-CB 4.44Å; F197-K235 HydrophobicContact CZ-CB 3.72Å; F197-K235 PolarHBondContact N-O 3.12Å; F197-Y236 VanDerWaalsContact CE1-C 3.45Å; F197-C237 HydrophobicContact CD1-CB 3.81Å; F197-C237 HydrophobicContact CE1-CB 3.98Å; F197-F332 AromaticContact CE1-CD1 3.77Å; F197-F332 HydrophobicContact CE1-CD1 3.77Å; F197-F332 HydrophobicContact CE1-CE1 4.07Å; F197-F332 AromaticContact CZ-CD1 3.87Å; F197-F332 HydrophobicContact CZ-CD1 3.87Å; F197-F332 HydrophobicContact CZ-CE1 4.06Å
198	S	92.3	Very high	94	Very high	29 Å²	29	38.2 Å²	38.2	20%	0.203	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.4	-174.7	-72.6	0	0	0	0	114.2	E196 S203	E196-S198 VanDerWaalsContact OE1-CB 3.31Å; E196-S198 WeakPolarHBondContact OE1-CB 3.49Å; E196-S198 PolarHBondContact OE1-OG 3.42Å; E196-S198 VanDerWaalsContact OE2-CB 3.29Å; E196-S198 WeakPolarHBondContact OE2-CB 2.83Å; E196-S198 PolarHBondContact OE2-N 3.04Å; E196-S198 PolarHBondContact OE2-OG 2.83Å; S198-S203 WeakPolarHBondContact O-CB 3.35Å; S198-S203 PolarHBondContact O-OG 3.39Å
199	D	91.1	Very high	94.3	Very high	123 Å²	123	36 Å²	36	66%	0.658	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.2	176.7	-73.7	24.3	0	0	0	113.3	F197 K232	F197-D199 VanDerWaalsContact C-N 3.26Å; F197-D199 PolarHBondContact O-N 3.4Å; D199-K232 VanDerWaalsContact CG-NZ 3.26Å; D199-K232 WeakPolarHBondContact OD1-CE 3.45Å; D199-K232 IonicContact OD1-NZ 3.09Å; D199-K232 PolarHBondContact OD1-NZ 3.12Å; D199-K232 WeakPolarHBondContact OD2-CE 3.4Å; D199-K232 IonicContact OD2-NZ 3.37Å; D199-K232 PolarHBondContact OD2-NZ 3Å
200	T	94.8	Very high	94.5	Very high	36 Å²	36	40 Å²	40	22%	0.221	21%	0.21	C	C	.	.	S	Bend	trans	-88.6	168.7	-175.4	77.5	0	0	0	0	112	V153 F197 M202 S203	V153-T200 HydrophobicContact CB-CG2 4.46Å; V153-T200 HydrophobicContact CG1-CG2 4.16Å; V153-T200 HydrophobicContact CG2-CG2 4.27Å; F197-T200 HydrophobicContact CB-CG2 4.05Å; F197-T200 WeakPolarHBondContact O-CB 3.46Å; F197-T200 PolarHBondContact O-N 2.88Å; F197-T200 PolarHBondContact O-OG1 2.83Å; T200-M202 PolarHBondContact O-N 2.84Å; T200-M202 VanDerWaalsContact O-N 3.13Å; T200-M202 WeakPolarHBondContact OG1-CB 3.48Å; T200-M202 PolarHBondContact OG1-N 3.47Å; T200-M202 VanDerWaalsContact OG1-N 3.11Å; T200-S203 VanDerWaalsContact O-CB 3.27Å; T200-S203 WeakPolarHBondContact O-CB 3.27Å; T200-S203 PolarHBondContact O-N 3.22Å; T200-S203 VanDerWaalsContact O-N 3.12Å
201	R	95.1	Very high	94.5	Very high	164 Å²	164	40 Å²	40	62%	0.619	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-60.6	-23.6	172.6	-55.2	-177.1	-70.7	-159.9	-0.3	112.5	K151 Y152 S203 S204	K151-R201 PolarHBondContact O-NH2 3.13Å; Y152-R201 HydrophobicContact CD1-CB 3.97Å; Y152-R201 WeakPolarHBondContact O-CB 3.42Å; Y152-R201 PolarHBondContact O-NE 2.93Å; R201-S203 PolarHBondContact O-N 2.96Å; R201-S204 PolarHBondContact O-N 2.94Å; R201-S204 PolarHBondContact O-OG 2.82Å
202	M	95.3	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.9	-24.3	178.7	-161.6	159.8	65.7	0	0	112.8	F144 V149 V153 F197 T200 S204 V205 V206 C237 F332	F144-M202 HydrophobicContact CE1-SD 4.44Å; F144-M202 HydrophobicContact CZ-SD 3.85Å; V149-M202 HydrophobicContact CB-SD 4.38Å; V149-M202 HydrophobicContact CG1-CE 3.97Å; V149-M202 HydrophobicContact CG1-SD 4.07Å; V149-M202 HydrophobicContact CG2-SD 4.14Å; V153-M202 HydrophobicContact CG2-CB 4.41Å; V153-M202 HydrophobicContact CG2-CE 3.77Å; V153-M202 HydrophobicContact CG2-SD 4.33Å; F197-M202 HydrophobicContact CB-CE 3.75Å; F197-M202 HydrophobicContact CD1-CE 3.51Å; F197-M202 HydrophobicContact CD2-CB 3.61Å; F197-M202 HydrophobicContact CD2-CE 3.71Å; F197-M202 HydrophobicContact CD2-CG 3.88Å; F197-M202 HydrophobicContact CE1-CE 3.92Å; F197-M202 HydrophobicContact CE2-CB 4.06Å; F197-M202 HydrophobicContact CE2-CE 4.1Å; F197-M202 HydrophobicContact CE2-CG 3.88Å; F197-M202 HydrophobicContact CG-CB 4.29Å; F197-M202 HydrophobicContact CG-CE 3.37Å; F197-M202 HydrophobicContact CZ-CE 4.19Å; T200-M202 PolarHBondContact O-N 2.84Å; T200-M202 VanDerWaalsContact O-N 3.13Å; T200-M202 WeakPolarHBondContact OG1-CB 3.48Å; T200-M202 PolarHBondContact OG1-N 3.47Å; T200-M202 VanDerWaalsContact OG1-N 3.11Å; M202-S204 PolarHBondContact O-N 2.86Å; M202-S204 VanDerWaalsContact O-N 3.11Å; M202-V205 HydrophobicContact CG-CG2 4.05Å; M202-V205 VanDerWaalsContact O-CG2 3.23Å; M202-V205 WeakPolarHBondContact O-CG2 3.08Å; M202-V205 PolarHBondContact O-N 3.3Å; M202-V205 VanDerWaalsContact O-N 3.08Å; M202-V206 PolarHBondContact O-N 3.43Å; M202-C237 HydrophobicContact CE-CB 3.7Å; M202-F332 HydrophobicContact CE-CE1 4.26Å; M202-F332 HydrophobicContact SD-CE1 4.34Å
203	S	95.1	Very high	94.6	Very high	30 Å²	30	44 Å²	44	21%	0.21	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59.8	-21.4	175.2	-167.5	0	0	0	0	113.3	S198 T200 R201 V206 K235	S198-S203 WeakPolarHBondContact O-CB 3.35Å; S198-S203 PolarHBondContact O-OG 3.39Å; T200-S203 VanDerWaalsContact O-CB 3.27Å; T200-S203 WeakPolarHBondContact O-CB 3.27Å; T200-S203 PolarHBondContact O-N 3.22Å; T200-S203 VanDerWaalsContact O-N 3.12Å; R201-S203 PolarHBondContact O-N 2.96Å; S203-V206 VanDerWaalsContact O-O 3.12Å; S203-K235 PolarHBondContact O-NZ 3.25Å; S203-K235 PolarHBondContact OG-NZ 2.82Å
204	S	93.9	Very high	94.8	Very high	97 Å²	97	47.7 Å²	47.7	68%	0.678	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-79.9	-19.3	177	70	0	0	0	0	114.9	R201 M202	R201-S204 PolarHBondContact O-N 2.94Å; R201-S204 PolarHBondContact O-OG 2.82Å; M202-S204 PolarHBondContact O-N 2.86Å; M202-S204 VanDerWaalsContact O-N 3.11Å
205	V	95.2	Very high	95.1	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.206	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-27.9	-177.5	-66	0	0	0	0	113.4	S138 Y152 M202	S138-V205 WeakPolarHBondContact CB-O 3.11Å; S138-V205 PolarHBondContact OG-O 2.87Å; Y152-V205 HydrophobicContact CE1-CG1 4.07Å; Y152-V205 HydrophobicContact CE1-CG2 4.43Å; M202-V205 HydrophobicContact CG-CG2 4.05Å; M202-V205 VanDerWaalsContact O-CG2 3.23Å; M202-V205 WeakPolarHBondContact O-CG2 3.08Å; M202-V205 PolarHBondContact O-N 3.3Å; M202-V205 VanDerWaalsContact O-N 3.08Å
206	V	96.1	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.			trans	-100.9	129.1	171.5	-179.1	0	0	0	0	110	S138 M139 P140 F197 M202 S203 K235 W258 F332	S138-V206 WeakPolarHBondContact O-CA 3.49Å; M139-V206 HydrophobicContact CE-CG1 3.72Å; M139-V206 HydrophobicContact SD-CG1 3.98Å; M139-V206 HydrophobicContact SD-CG2 4.43Å; P140-V206 HydrophobicContact CG-CG2 4.44Å; F197-V206 HydrophobicContact CE2-CB 3.85Å; F197-V206 HydrophobicContact CE2-CG1 4.48Å; F197-V206 HydrophobicContact CE2-CG2 4.14Å; F197-V206 HydrophobicContact CZ-CB 3.68Å; F197-V206 HydrophobicContact CZ-CG1 3.89Å; F197-V206 HydrophobicContact CZ-CG2 3.85Å; M202-V206 PolarHBondContact O-N 3.43Å; S203-V206 VanDerWaalsContact O-O 3.12Å; V206-K235 WeakPolarHBondContact O-CE 3.46Å; V206-K235 PolarHBondContact O-NZ 3.13Å; V206-W258 HydrophobicContact CG1-CH2 4.47Å; V206-F332 HydrophobicContact CG1-CD1 4.44Å; V206-F332 HydrophobicContact CG1-CG 4.35Å; V206-F332 HydrophobicContact CG2-CD1 3.99Å; V206-F332 HydrophobicContact CG2-CD2 4.29Å; V206-F332 HydrophobicContact CG2-CE1 3.74Å; V206-F332 HydrophobicContact CG2-CE2 4.04Å; V206-F332 HydrophobicContact CG2-CG 4.25Å; V206-F332 HydrophobicContact CG2-CZ 3.76Å
207	E	96.1	Very high	95.3	Very high	62 Å²	62	43.2 Å²	43.2	29%	0.29	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-133.3	129.3	174.1	-178.1	68.2	167.1	0	0	109.6	M137 S138 R213 K235	M137-E207 CarbonylContact C-O 3.51Å; M137-E207 VanDerWaalsContact CA-O 3.23Å; M137-E207 WeakPolarHBondContact CA-O 3.4Å; M137-E207 VanDerWaalsContact CB-O 3.3Å; M137-E207 WeakPolarHBondContact CB-O 3.04Å; S138-E207 PolarHBondContact N-O 3.41Å; S138-E207 PolarHBondContact O-N 3.12Å; E207-R213 VanDerWaalsContact OE1-CD 3.22Å; E207-R213 WeakPolarHBondContact OE1-CD 3.43Å; E207-R213 IonicContact OE1-CZ 3.12Å; E207-R213 IonicContact OE1-NE 3.13Å; E207-R213 PolarHBondContact OE1-NE 3.02Å; E207-R213 IonicContact OE1-NH1 2.91Å; E207-R213 PolarHBondContact OE1-NH1 2.86Å; E207-K235 WeakPolarHBondContact OE2-CE 3.31Å; E207-K235 IonicContact OE2-NZ 2.75Å; E207-K235 PolarHBondContact OE2-NZ 3.08Å
208	S	96	Very high	95.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	21%	0.214	C	C	.	.			trans	-68.8	158.4	-172.8	54.6	0	0	0	0	112.6	Q210 R213	S208-Q210 PolarHBondContact O-N 2.91Å; S208-R213 PolarHBondContact O-NE 3.01Å; S208-R213 WeakPolarHBondContact OG-CD 3.26Å; S208-R213 VanDerWaalsContact OG-CG 3.25Å; S208-R213 WeakPolarHBondContact OG-CG 3.29Å
209	P	96.9	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.			trans	-52.1	140.6	-178.3	-27.6	35.3	0	0	0	113.3	M137 I211 V212 R213 W258 F314	M137-P209 HydrophobicContact CB-CG 4.28Å; M137-P209 HydrophobicContact CE-CG 4.03Å; M137-P209 HydrophobicContact SD-CG 4.15Å; P209-I211 HydrophobicContact CB-CG2 4.14Å; P209-I211 PolarHBondContact O-N 3.15Å; P209-I211 VanDerWaalsContact O-N 3.15Å; P209-V212 HydrophobicContact CB-CB 4.44Å; P209-V212 HydrophobicContact CB-CG2 3.99Å; P209-V212 HydrophobicContact CG-CG2 4.19Å; P209-V212 WeakPolarHBondContact O-CB 3.44Å; P209-V212 PolarHBondContact O-N 2.79Å; P209-R213 PolarHBondContact O-N 3Å; P209-R213 VanDerWaalsContact O-N 3.11Å; P209-W258 HydrophobicContact CG-CB 4.47Å; P209-W258 HydrophobicContact CG-CD2 4.1Å; P209-W258 HydrophobicContact CG-CE3 4.25Å; P209-W258 HydrophobicContact CG-CG 4.19Å; P209-F314 HydrophobicContact CB-CE1 3.98Å; P209-F314 HydrophobicContact CB-CZ 4.01Å; P209-F314 HydrophobicContact CG-CE1 3.86Å; P209-F314 HydrophobicContact CG-CZ 3.9Å
210	Q	96.2	Very high	95.3	Very high	107 Å²	107	43.1 Å²	43.1	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-32.9	-177.2	-174	-179	8.7	0	0	112	L135 S208 R213 R214	L135-Q210 PolarHBondContact O-N 2.8Å; S208-Q210 PolarHBondContact O-N 2.91Å; Q210-R213 PolarHBondContact O-N 2.88Å; Q210-R214 WeakPolarHBondContact O-CB 3.2Å; Q210-R214 WeakPolarHBondContact O-CG 2.97Å; Q210-R214 PolarHBondContact O-N 2.82Å
211	I	96.3	Very high	95.2	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.062	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-38.2	175.6	-167.9	56.5	0	0	0	112.6	L113 L115 L118 P209 R214 L215 F314	L113-I211 HydrophobicContact CD2-CG2 4.14Å; L113-I211 HydrophobicContact CG-CG1 4.45Å; L113-I211 HydrophobicContact CG-CG2 4.12Å; L115-I211 HydrophobicContact CB-CD1 4.01Å; L118-I211 HydrophobicContact CD1-CD1 4.02Å; L118-I211 HydrophobicContact CD1-CG1 3.76Å; P209-I211 HydrophobicContact CB-CG2 4.14Å; P209-I211 PolarHBondContact O-N 3.15Å; P209-I211 VanDerWaalsContact O-N 3.15Å; I211-R214 PolarHBondContact O-N 3.37Å; I211-L215 HydrophobicContact CD1-CD1 4.17Å; I211-L215 HydrophobicContact CD1-CG 4.4Å; I211-L215 HydrophobicContact CG1-CD1 4.03Å; I211-L215 WeakPolarHBondContact O-CB 3.19Å; I211-L215 VanDerWaalsContact O-CG 3.31Å; I211-L215 WeakPolarHBondContact O-CG 3.41Å; I211-L215 PolarHBondContact O-N 3.2Å; I211-L215 VanDerWaalsContact O-N 3.13Å; I211-F314 HydrophobicContact CG2-CE1 4.06Å; I211-F314 HydrophobicContact CG2-CZ 4.37Å
212	V	96.7	Very high	95.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-49	175.6	172.3	0	0	0	0	109.7	P209 R214 L215 S216 W258 F314 F336	P209-V212 HydrophobicContact CB-CB 4.44Å; P209-V212 HydrophobicContact CB-CG2 3.99Å; P209-V212 HydrophobicContact CG-CG2 4.19Å; P209-V212 WeakPolarHBondContact O-CB 3.44Å; P209-V212 PolarHBondContact O-N 2.79Å; V212-R214 VanDerWaalsContact C-N 3.26Å; V212-R214 PolarHBondContact O-N 2.88Å; V212-L215 PolarHBondContact O-N 3.42Å; V212-S216 WeakPolarHBondContact O-CB 3.47Å; V212-S216 PolarHBondContact O-N 2.93Å; V212-W258 HydrophobicContact CG2-CB 4.17Å; V212-W258 HydrophobicContact CG2-CG 4.01Å; V212-F314 HydrophobicContact CG2-CD1 4.33Å; V212-F314 HydrophobicContact CG2-CE1 3.9Å; V212-F336 HydrophobicContact CB-CD1 4.49Å; V212-F336 HydrophobicContact CG1-CB 4.03Å; V212-F336 HydrophobicContact CG1-CD1 3.72Å; V212-F336 HydrophobicContact CG1-CD2 4.14Å; V212-F336 HydrophobicContact CG1-CE1 4.19Å; V212-F336 HydrophobicContact CG1-CG 3.72Å; V212-F336 HydrophobicContact CG2-CD1 4.17Å; V212-F336 HydrophobicContact CG2-CE1 3.76Å; V212-F336 HydrophobicContact CG2-CE2 4.25Å; V212-F336 HydrophobicContact CG2-CZ 3.81Å
213	R	95.3	Very high	94.8	Very high	81 Å²	81	37.6 Å²	37.6	31%	0.306	19%	0.187	S	C	.	.	H	α-helix	trans	-64	-28	178	-64.8	-175.5	-73.2	141.1	0.5	112.9	G136 E207 S208 P209 Q210 N220	G136-R213 PolarHBondContact O-NH2 2.92Å; E207-R213 VanDerWaalsContact OE1-CD 3.22Å; E207-R213 WeakPolarHBondContact OE1-CD 3.43Å; E207-R213 IonicContact OE1-CZ 3.12Å; E207-R213 IonicContact OE1-NE 3.13Å; E207-R213 PolarHBondContact OE1-NE 3.02Å; E207-R213 IonicContact OE1-NH1 2.91Å; E207-R213 PolarHBondContact OE1-NH1 2.86Å; S208-R213 PolarHBondContact O-NE 3.01Å; S208-R213 WeakPolarHBondContact OG-CD 3.26Å; S208-R213 VanDerWaalsContact OG-CG 3.25Å; S208-R213 WeakPolarHBondContact OG-CG 3.29Å; P209-R213 PolarHBondContact O-N 3Å; P209-R213 VanDerWaalsContact O-N 3.11Å; Q210-R213 PolarHBondContact O-N 2.88Å; R213-N220 PolarHBondContact O-ND2 2.89Å
214	R	95.8	Very high	94.4	Very high	113 Å²	113	44.5 Å²	44.5	43%	0.426	22%	0.221	S	C	.	.	H	α-helix	trans	-78	-19.8	172.1	-77.1	-178.4	68.9	-175.9	0.9	114.8	L115 Q210 I211 V212	L115-R214 HydrophobicContact CD1-CB 4.47Å; Q210-R214 WeakPolarHBondContact O-CB 3.2Å; Q210-R214 WeakPolarHBondContact O-CG 2.97Å; Q210-R214 PolarHBondContact O-N 2.82Å; I211-R214 PolarHBondContact O-N 3.37Å; V212-R214 VanDerWaalsContact C-N 3.26Å; V212-R214 PolarHBondContact O-N 2.88Å
215	L	96.3	Very high	93.9	Very high	11 Å²	11	46 Å²	46	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-105.7	-30.4	-175.1	-72.5	175.1	0	0	0	113.8	L115 L118 I211 V212 W217 F336 H338 L340	L115-L215 HydrophobicContact CD1-CD2 4.03Å; L118-L215 HydrophobicContact CD1-CD1 3.9Å; I211-L215 HydrophobicContact CD1-CD1 4.17Å; I211-L215 HydrophobicContact CD1-CG 4.4Å; I211-L215 HydrophobicContact CG1-CD1 4.03Å; I211-L215 WeakPolarHBondContact O-CB 3.19Å; I211-L215 VanDerWaalsContact O-CG 3.31Å; I211-L215 WeakPolarHBondContact O-CG 3.41Å; I211-L215 PolarHBondContact O-N 3.2Å; I211-L215 VanDerWaalsContact O-N 3.13Å; V212-L215 PolarHBondContact O-N 3.42Å; L215-W217 PolarHBondContact O-N 3.32Å; L215-F336 HydrophobicContact CB-CD2 4.25Å; L215-F336 HydrophobicContact CB-CE2 4.26Å; L215-F336 HydrophobicContact CD1-CE2 4.26Å; L215-H338 HydrophobicContact CB-CB 3.99Å; L215-H338 WeakPolarHBondContact O-CB 3.35Å; L215-L340 HydrophobicContact CD1-CD1 4.17Å; L215-L340 HydrophobicContact CD2-CD1 4.13Å; L215-L340 HydrophobicContact CD2-CG 4.39Å
216	S	96.6	Very high	93.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	22%	0.222	C	C	.	.			trans	-60.7	123.4	-174.9	177.5	0	0	0	0	112.8	V212 V218 E219 N220 V337	V212-S216 WeakPolarHBondContact O-CB 3.47Å; V212-S216 PolarHBondContact O-N 2.93Å; S216-V218 VanDerWaalsContact C-N 3.26Å; S216-V218 PolarHBondContact O-N 2.93Å; S216-V218 PolarHBondContact OG-N 2.97Å; S216-E219 PolarHBondContact O-N 3.21Å; S216-E219 PolarHBondContact OG-N 3.39Å; S216-N220 PolarHBondContact O-N 3.45Å; S216-N220 PolarHBondContact O-ND2 3.03Å; S216-V337 WeakPolarHBondContact CA-O 3.33Å
217	W	95.6	Very high	92.8	Very high	2 Å²	2	52 Å²	52	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-36.8	171.8	-64.1	-15.2	0	0	0	112.6	L215 E219 N220 Y221 W222 V337 N339 V342 V373 I402	L215-W217 PolarHBondContact O-N 3.32Å; W217-E219 VanDerWaalsContact C-N 3.35Å; W217-N220 PolarHBondContact O-N 3.25Å; W217-Y221 HydrophobicContact CB-CD2 4.01Å; W217-Y221 AromaticContact CD1-CD2 3.82Å; W217-Y221 AromaticContact CD1-CE2 3.58Å; W217-Y221 HydrophobicContact CG-CD2 4.13Å; W217-Y221 HydrophobicContact CG-CE2 4.33Å; W217-Y221 WeakPolarHBondContact O-CA 3.21Å; W217-Y221 WeakPolarHBondContact O-CB 3.03Å; W217-Y221 PolarHBondContact O-N 2.76Å; W217-W222 PolarHBondContact O-N 2.94Å; W217-V337 HydrophobicContact CB-CG2 4.08Å; W217-V337 HydrophobicContact CD2-CB 4.09Å; W217-V337 HydrophobicContact CD2-CG2 3.99Å; W217-V337 HydrophobicContact CE3-CB 3.7Å; W217-V337 HydrophobicContact CE3-CG2 3.54Å; W217-V337 HydrophobicContact CG-CG2 4.22Å; W217-V337 VanDerWaalsContact CG-O 3.3Å; W217-V337 HydrophobicContact CZ3-CB 4.2Å; W217-V337 HydrophobicContact CZ3-CG2 4.39Å; W217-V337 PolarHBondContact N-O 3.22Å; W217-N339 PolarHBondContact NE1-OD1 3.16Å; W217-V342 HydrophobicContact CH2-CG1 4.4Å; W217-V342 HydrophobicContact CZ2-CG2 3.97Å; W217-V373 HydrophobicContact CB-CG2 3.76Å; W217-V373 HydrophobicContact CD2-CB 4.41Å; W217-V373 HydrophobicContact CD2-CG1 4.41Å; W217-V373 HydrophobicContact CD2-CG2 3.29Å; W217-V373 HydrophobicContact CE3-CG2 3.68Å; W217-V373 HydrophobicContact CG-CG2 3.37Å; W217-V373 HydrophobicContact CZ2-CG1 3.94Å; W217-V373 HydrophobicContact CZ2-CG2 4.24Å; W217-V373 HydrophobicContact CZ3-CG2 4.29Å; W217-I402 HydrophobicContact CH2-CD1 4.24Å; W217-I402 HydrophobicContact CZ2-CD1 4.28Å
218	V	92.5	Very high	92.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-34.5	-178	176.5	0	0	0	0	111.4	S216 W222 K230 P231 F363	S216-V218 VanDerWaalsContact C-N 3.26Å; S216-V218 PolarHBondContact O-N 2.93Å; S216-V218 PolarHBondContact OG-N 2.97Å; V218-W222 VanDerWaalsContact O-CB 3.28Å; V218-W222 WeakPolarHBondContact O-CB 3.15Å; V218-K230 HydrophobicContact CG1-CD 4.33Å; V218-K230 HydrophobicContact CG1-CG 3.73Å; V218-K230 WeakPolarHBondContact O-CE 3.23Å; V218-P231 HydrophobicContact CG1-CB 4.09Å; V218-P231 HydrophobicContact CG1-CG 4.4Å; V218-P231 HydrophobicContact CG2-CB 3.96Å; V218-P231 HydrophobicContact CG2-CG 4.14Å; V218-F363 HydrophobicContact CG2-CE1 4.48Å; V218-F363 HydrophobicContact CG2-CZ 4.06Å
219	E	91.5	Very high	91.5	Very high	70 Å²	70	54.8 Å²	54.8	33%	0.327	29%	0.285	S	S	.	.	H	α-helix	trans	-82.7	-25.1	177.4	-59.9	-59.7	166.7	0	0	113.7	S216 W217 K230 T234	S216-E219 PolarHBondContact O-N 3.21Å; S216-E219 PolarHBondContact OG-N 3.39Å; W217-E219 VanDerWaalsContact C-N 3.35Å; E219-K230 IonicContact OE1-NZ 2.72Å; E219-K230 IonicContact OE2-NZ 3.89Å; E219-K230 PolarHBondContact OE2-NZ 3.24Å; E219-T234 PolarHBondContact OE1-OG1 3.3Å
220	N	94.1	Very high	91	Very high	78 Å²	78	59.2 Å²	59.2	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-107.6	-25.3	-171.7	-69.6	-94.2	0	0	0	114.6	R213 S216 W217	R213-N220 PolarHBondContact O-ND2 2.89Å; S216-N220 PolarHBondContact O-N 3.45Å; S216-N220 PolarHBondContact O-ND2 3.03Å; W217-N220 PolarHBondContact O-N 3.25Å
221	Y	92.6	Very high	90.7	Very high	39 Å²	39	54.4 Å²	54.4	15%	0.153	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-13.3	-169.1	-46.9	-41.9	0	0	0	114.7	W217 N339 V373 H376	W217-Y221 HydrophobicContact CB-CD2 4.01Å; W217-Y221 AromaticContact CD1-CD2 3.82Å; W217-Y221 AromaticContact CD1-CE2 3.58Å; W217-Y221 HydrophobicContact CG-CD2 4.13Å; W217-Y221 HydrophobicContact CG-CE2 4.33Å; W217-Y221 WeakPolarHBondContact O-CA 3.21Å; W217-Y221 WeakPolarHBondContact O-CB 3.03Å; W217-Y221 PolarHBondContact O-N 2.76Å; Y221-N339 PolarHBondContact OH-ND2 2.88Å; Y221-N339 VanDerWaalsContact OH-ND2 3.09Å; Y221-V373 HydrophobicContact CD2-CB 4.47Å; Y221-V373 HydrophobicContact CD2-CG2 3.71Å; Y221-V373 HydrophobicContact CE2-CG2 4.4Å; Y221-H376 HydrophobicContact CD1-CB 4.01Å; Y221-H376 AromaticContact CD1-CG 3.6Å; Y221-H376 AromaticContact CD1-ND1 3.58Å; Y221-H376 HydrophobicContact CE1-CB 4.44Å; Y221-H376 AromaticContact CE1-CD2 3.94Å; Y221-H376 AromaticContact CE1-CE1 3.22Å; Y221-H376 WeakPolarHBondContact CE1-CE1 3.48Å; Y221-H376 AromaticContact CE1-CG 3.59Å; Y221-H376 AromaticContact CE1-ND1 3.12Å; Y221-H376 WeakPolarHBondContact CE1-ND1 3.47Å; Y221-H376 AromaticContact CE1-NE2 3.76Å; Y221-H376 AromaticContact CE2-ND1 3.88Å; Y221-H376 HydrophobicContact CG-CB 4.31Å; Y221-H376 AromaticContact CZ-CE1 3.44Å; Y221-H376 VanDerWaalsContact CZ-CE1 3.44Å; Y221-H376 AromaticContact CZ-ND1 3.29Å; Y221-H376 VanDerWaalsContact CZ-ND1 3.29Å; Y221-H376 PolarHBondContact OH-CE1 3.27Å
222	W	92.2	Very high	90.3	Very high	25 Å²	25	58.9 Å²	58.9	10%	0.095	30%	0.301	C	S	.	.	S	Bend	trans	-69.6	125.4	169.4	-160	-82.3	0	0	0	109.1	W217 V218 A226 L228 G229 K230 P231 N365 T368 A369 Y372	W217-W222 PolarHBondContact O-N 2.94Å; V218-W222 VanDerWaalsContact O-CB 3.28Å; V218-W222 WeakPolarHBondContact O-CB 3.15Å; W222-A226 HydrophobicContact CZ2-CB 4.41Å; W222-L228 HydrophobicContact CH2-CB 4.41Å; W222-L228 HydrophobicContact CZ2-CB 3.94Å; W222-L228 WeakPolarHBondContact CZ2-O 3.28Å; W222-L228 PolarHBondContact NE1-O 3.08Å; W222-G229 WeakPolarHBondContact CZ2-O 3.34Å; W222-K230 HydrophobicContact CG-CB 4.47Å; W222-K230 HydrophobicContact CG-CG 4.2Å; W222-P231 HydrophobicContact CD2-CG 4.46Å; W222-P231 VanDerWaalsContact CE3-CD 3.49Å; W222-P231 HydrophobicContact CE3-CG 3.89Å; W222-P231 HydrophobicContact CH2-CG 4.02Å; W222-P231 HydrophobicContact CZ3-CG 3.65Å; W222-N365 HydrophobicContact CH2-CB 3.56Å; W222-N365 HydrophobicContact CZ3-CB 4.08Å; W222-T368 HydrophobicContact CH2-CG2 3.65Å; W222-T368 HydrophobicContact CZ2-CG2 4.43Å; W222-T368 HydrophobicContact CZ3-CG2 4.07Å; W222-A369 HydrophobicContact CE3-CB 4.43Å; W222-A369 HydrophobicContact CZ3-CB 4.17Å; W222-Y372 HydrophobicContact CD2-CD2 4.26Å; W222-Y372 HydrophobicContact CD2-CE2 4.03Å; W222-Y372 AromaticContact CE3-CD2 3.93Å; W222-Y372 HydrophobicContact CE3-CD2 3.93Å; W222-Y372 AromaticContact CE3-CE2 3.99Å; W222-Y372 HydrophobicContact CE3-CE2 3.99Å; W222-Y372 HydrophobicContact CH2-CE2 4.18Å; W222-Y372 HydrophobicContact CZ2-CE2 4.24Å; W222-Y372 HydrophobicContact CZ3-CD2 4.2Å; W222-Y372 HydrophobicContact CZ3-CE2 4.07Å
223	P	90.4	Very high	89.9	Confident	21 Å²	21	58.9 Å²	58.9	14%	0.136	30%	0.301	C	S	.	.			trans	-88.5	145.9	-176.6	35.7	-33.5	0	0	0	111.7	D225 A226 Y372	P223-D225 WeakPolarHBondContact CB-OD1 3.33Å; P223-D225 PolarHBondContact O-N 3.11Å; P223-A226 HydrophobicContact CG-CB 4.15Å; P223-A226 VanDerWaalsContact O-CB 3.32Å; P223-A226 WeakPolarHBondContact O-CB 3.12Å; P223-A226 PolarHBondContact O-N 3.38Å; P223-A226 VanDerWaalsContact O-N 3.16Å; P223-Y372 HydrophobicContact CG-CD1 4.22Å; P223-Y372 HydrophobicContact CG-CE1 3.66Å; P223-Y372 HydrophobicContact CG-CE2 4.19Å
224	D	85.8	Confident	89.5	Confident	174 Å²	174	55.6 Å²	55.6	93%	0.93	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	-178.8	-54.2	-54.3	0	0	0	113.4
225	D	84.4	Confident	89.5	Confident	129 Å²	129	51 Å²	51	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	17.6	175.7	70.5	-32.8	0	0	0	113.7	P223	P223-D225 WeakPolarHBondContact CB-OD1 3.33Å; P223-D225 PolarHBondContact O-N 3.11Å
226	A	85.3	Confident	89.5	Confident	25 Å²	25	51.8 Å²	51.8	21%	0.207	28%	0.276	C	S	.	.			trans	-66.2	134	172.1	0	0	0	0	0	112.1	W222 P223 L228	W222-A226 HydrophobicContact CZ2-CB 4.41Å; P223-A226 HydrophobicContact CG-CB 4.15Å; P223-A226 VanDerWaalsContact O-CB 3.32Å; P223-A226 WeakPolarHBondContact O-CB 3.12Å; P223-A226 PolarHBondContact O-N 3.38Å; P223-A226 VanDerWaalsContact O-N 3.16Å; A226-L228 VanDerWaalsContact C-N 3.32Å; A226-L228 WeakPolarHBondContact CB-O 3.3Å
227	L	81.7	Confident	89.5	Confident	135 Å²	135	51.8 Å²	51.8	71%	0.707	28%	0.275	S	S	*	.	S	Bend	trans	-69.8	-32.3	170	-61.2	176.4	0	0	0	111.9	E424	L227-E424 VanDerWaalsContact CD1-CD 3.48Å; L227-E424 HydrophobicContact CD1-CG 4.33Å; L227-E424 WeakPolarHBondContact CD1-OE2 3.46Å
228	L	82.9	Confident	89.6	Confident	66 Å²	66	52 Å²	52	35%	0.346	28%	0.277	S	S	.	.	S	Bend	trans	-80.8	132.9	172.5	-69.3	172	0	0	0	109.9	W222 A226 T368	W222-L228 HydrophobicContact CH2-CB 4.41Å; W222-L228 HydrophobicContact CZ2-CB 3.94Å; W222-L228 WeakPolarHBondContact CZ2-O 3.28Å; W222-L228 PolarHBondContact NE1-O 3.08Å; A226-L228 VanDerWaalsContact C-N 3.32Å; A226-L228 WeakPolarHBondContact CB-O 3.3Å; L228-T368 HydrophobicContact CD1-CG2 3.77Å
229	G	82.1	Confident	89.9	Confident	56 Å²	56	51.9 Å²	51.9	58%	0.577	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-58.7	140.5	176.4	0	0	0	0	0	112.1	W222 N365	W222-G229 WeakPolarHBondContact CZ2-O 3.34Å; G229-N365 PolarHBondContact O-ND2 2.9Å
230	K	87.1	Confident	90.1	Very high	94 Å²	94	48.6 Å²	48.6	41%	0.409	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-57.1	129.1	177	-176.6	178.3	175.7	-179.3	0	110.2	V218 E219 W222 K232	V218-K230 HydrophobicContact CG1-CD 4.33Å; V218-K230 HydrophobicContact CG1-CG 3.73Å; V218-K230 WeakPolarHBondContact O-CE 3.23Å; E219-K230 IonicContact OE1-NZ 2.72Å; E219-K230 IonicContact OE2-NZ 3.89Å; E219-K230 PolarHBondContact OE2-NZ 3.24Å; W222-K230 HydrophobicContact CG-CB 4.47Å; W222-K230 HydrophobicContact CG-CG 4.2Å; K230-K232 PolarHBondContact O-N 3.3Å; K230-K232 VanDerWaalsContact O-N 3.08Å
231	P	89.8	Confident	90.2	Very high	5 Å²	5	45 Å²	45	3%	0.032	24%	0.242	C	C	.	.			trans	-52	112.6	177.8	-33.2	38.5	0	0	0	113.3	V218 W222 V233 F363 P364 N365	V218-P231 HydrophobicContact CG1-CB 4.09Å; V218-P231 HydrophobicContact CG1-CG 4.4Å; V218-P231 HydrophobicContact CG2-CB 3.96Å; V218-P231 HydrophobicContact CG2-CG 4.14Å; W222-P231 HydrophobicContact CD2-CG 4.46Å; W222-P231 VanDerWaalsContact CE3-CD 3.49Å; W222-P231 HydrophobicContact CE3-CG 3.89Å; W222-P231 HydrophobicContact CH2-CG 4.02Å; W222-P231 HydrophobicContact CZ3-CG 3.65Å; P231-V233 HydrophobicContact CB-CG2 4.5Å; P231-V233 PolarHBondContact O-N 3.1Å; P231-F363 HydrophobicContact CB-CE1 4.28Å; P231-P364 HydrophobicContact CB-CG 4.11Å; P231-P364 VanDerWaalsContact CG-O 3.31Å; P231-P364 WeakPolarHBondContact CG-O 3.45Å; P231-N365 HydrophobicContact CG-CB 4.48Å
232	K	88.4	Confident	90.4	Very high	106 Å²	106	48.3 Å²	48.3	46%	0.461	26%	0.257	S	S	.	.			trans	-85.1	89.1	177.3	-64.8	179.6	-175.9	175.8	0	109.2	E196 D199 K230	E196-K232 HydrophobicContact CG-CB 4.06Å; D199-K232 VanDerWaalsContact CG-NZ 3.26Å; D199-K232 WeakPolarHBondContact OD1-CE 3.45Å; D199-K232 IonicContact OD1-NZ 3.09Å; D199-K232 PolarHBondContact OD1-NZ 3.12Å; D199-K232 WeakPolarHBondContact OD2-CE 3.4Å; D199-K232 IonicContact OD2-NZ 3.37Å; D199-K232 PolarHBondContact OD2-NZ 3Å; K230-K232 PolarHBondContact O-N 3.3Å; K230-K232 VanDerWaalsContact O-N 3.08Å
233	V	88.3	Confident	90.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	26%	0.258	C	S	.	.			trans	-141	2	-177.5	-61	0	0	0	0	112.9	P231 Y236 H335 F363 P364	P231-V233 HydrophobicContact CB-CG2 4.5Å; P231-V233 PolarHBondContact O-N 3.1Å; V233-Y236 HydrophobicContact CB-CE2 4.37Å; V233-Y236 VanDerWaalsContact O-CE2 3.24Å; V233-Y236 WeakPolarHBondContact O-CE2 3.05Å; V233-H335 HydrophobicContact CB-CB 4.31Å; V233-H335 PolarHBondContact O-N 3.44Å; V233-F363 HydrophobicContact CG1-CE2 4.38Å; V233-F363 HydrophobicContact CG2-CE2 3.94Å; V233-F363 HydrophobicContact CG2-CZ 3.97Å; V233-P364 HydrophobicContact CG1-CG 3.98Å
234	T	87.3	Confident	90.9	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	25%	0.252	C	S	.	.	S	Bend	trans	-101.5	-11.6	-164.2	61.3	0	0	0	0	114.7	E219	E219-T234 PolarHBondContact OE1-OG1 3.3Å
235	K	94.9	Very high	91.5	Very high	16 Å²	16	39 Å²	39	7%	0.07	21%	0.208	C	C	.	.			trans	-141.5	96.5	177.4	-60.1	-172.3	-177.1	-170	0	111.8	E196 F197 S203 V206 E207	E196-K235 WeakPolarHBondContact CA-O 3.46Å; E196-K235 PolarHBondContact OE1-N 3.42Å; F197-K235 HydrophobicContact CD1-CB 4.23Å; F197-K235 WeakPolarHBondContact CD1-O 3.19Å; F197-K235 HydrophobicContact CD2-CB 4.28Å; F197-K235 HydrophobicContact CE1-CB 3.87Å; F197-K235 WeakPolarHBondContact CE1-O 3.26Å; F197-K235 HydrophobicContact CE2-CB 3.93Å; F197-K235 HydrophobicContact CE2-CD 4.14Å; F197-K235 HydrophobicContact CG-CB 4.44Å; F197-K235 HydrophobicContact CZ-CB 3.72Å; F197-K235 PolarHBondContact N-O 3.12Å; S203-K235 PolarHBondContact O-NZ 3.25Å; S203-K235 PolarHBondContact OG-NZ 2.82Å; V206-K235 WeakPolarHBondContact O-CE 3.46Å; V206-K235 PolarHBondContact O-NZ 3.13Å; E207-K235 WeakPolarHBondContact OE2-CE 3.31Å; E207-K235 IonicContact OE2-NZ 2.75Å; E207-K235 PolarHBondContact OE2-NZ 3.08Å
236	Y	96.1	Very high	92	Very high	29 Å²	29	34.3 Å²	34.3	11%	0.114	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	142	173.5	-66.7	-76.6	0	0	0	112.3	L195 E196 F197 V233 F332 S333 H335	L195-Y236 CarbonylContact O-C 3.48Å; L195-Y236 WeakPolarHBondContact O-CA 3.24Å; E196-Y236 HydrophobicContact CB-CD1 3.88Å; E196-Y236 HydrophobicContact CB-CE1 3.68Å; E196-Y236 HydrophobicContact CG-CD1 4Å; E196-Y236 HydrophobicContact CG-CE1 3.68Å; F197-Y236 VanDerWaalsContact CE1-C 3.45Å; V233-Y236 HydrophobicContact CB-CE2 4.37Å; V233-Y236 VanDerWaalsContact O-CE2 3.24Å; V233-Y236 WeakPolarHBondContact O-CE2 3.05Å; Y236-F332 WeakPolarHBondContact O-CA 3.31Å; Y236-S333 PolarHBondContact N-O 3.39Å; Y236-S333 PolarHBondContact O-N 3.03Å; Y236-H335 AromaticContact CD2-NE2 3.84Å; Y236-H335 AromaticContact CE2-CD2 3.97Å; Y236-H335 AromaticContact CE2-CE1 3.73Å; Y236-H335 AromaticContact CE2-CG 3.93Å; Y236-H335 AromaticContact CE2-ND1 3.77Å; Y236-H335 AromaticContact CE2-NE2 3.82Å
237	C	97.4	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.8	174.2	-177	0	0	0	0	109.8	L195 F197 M202 F332	L195-C237 HydrophobicContact CB-CB 4.5Å; L195-C237 HydrophobicContact CD2-CB 4.18Å; L195-C237 HydrophobicContact CG-CB 4.18Å; L195-C237 PolarHBondContact O-N 2.87Å; F197-C237 HydrophobicContact CD1-CB 3.81Å; F197-C237 HydrophobicContact CE1-CB 3.98Å; M202-C237 HydrophobicContact CE-CB 3.7Å; C237-F332 HydrophobicContact CB-CD1 4.23Å; C237-F332 HydrophobicContact CB-CE1 4.07Å
238	L	97.5	Very high	93.2	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.3	-176.2	-48.2	178.7	0	0	0	109.1	V192 I193 Y259 A331	V192-L238 WeakPolarHBondContact O-CA 3.27Å; I193-L238 HydrophobicContact CB-CD2 4.2Å; I193-L238 HydrophobicContact CG2-CD2 4.44Å; I193-L238 WeakPolarHBondContact O-CD2 3.15Å; L238-Y259 HydrophobicContact CD1-CD1 3.72Å; L238-Y259 HydrophobicContact CD1-CE1 3.73Å; L238-A331 HydrophobicContact CB-CB 4.22Å; L238-A331 HydrophobicContact CD1-CB 4.28Å; L238-A331 PolarHBondContact N-O 2.84Å; L238-A331 PolarHBondContact O-N 3.29Å
239	I	97.4	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	98.6	179.1	-40.9	175.2	0	0	0	108.4	I146 V149 L174 F177 Y181 N191 V192 L195 L330	I146-I239 HydrophobicContact CD1-CG2 3.38Å; I146-I239 HydrophobicContact CG1-CG2 3.59Å; I146-I239 HydrophobicContact CG2-CD1 4.22Å; I146-I239 HydrophobicContact CG2-CG2 4.24Å; V149-I239 HydrophobicContact CG1-CD1 4.2Å; L174-I239 HydrophobicContact CD1-CD1 4.34Å; F177-I239 HydrophobicContact CE1-CB 3.87Å; F177-I239 HydrophobicContact CE1-CG2 3.72Å; Y181-I239 HydrophobicContact CD2-CG2 4.11Å; Y181-I239 HydrophobicContact CE2-CG2 4.16Å; N191-I239 PolarHBondContact OD1-O 2.68Å; V192-I239 HydrophobicContact CB-CB 4.2Å; V192-I239 PolarHBondContact N-O 3.26Å; V192-I239 PolarHBondContact O-N 3.42Å; L195-I239 HydrophobicContact CD2-CD1 4.4Å; I239-L330 HydrophobicContact CG1-CD1 4.09Å
240	C	97	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	-166.3	-49.4	0	0	0	0	109.5	N191 K266 T325 C329	N191-C240 WeakPolarHBondContact OD1-CA 3.49Å; N191-C240 WeakPolarHBondContact OD1-CB 3.15Å; N191-C240 PolarHBondContact OD1-SG 3.34Å; C240-K266 VanDerWaalsContact SG-CE 3.53Å; C240-K266 PolarHBondContact SG-NZ 2.84Å; C240-T325 HydrophobicContact CB-CG2 3.68Å; C240-C329 HydrophobicContact CB-CB 4.36Å; C240-C329 PolarHBondContact N-O 2.92Å; C240-C329 PolarHBondContact O-N 3.03Å
241	V	96.7	Very high	94.5	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.018	10%	0.095	C	C	.	.			trans	-74.8	160.2	172.9	-59.4	0	0	0	0	111.3	Y180 Y181 V189 L190 S244 T325 D328	Y180-V241 HydrophobicContact CE1-CG1 3.91Å; Y181-V241 HydrophobicContact CD2-CG1 3.78Å; Y181-V241 HydrophobicContact CE2-CG1 4.08Å; V189-V241 HydrophobicContact CG1-CG2 3.79Å; L190-V241 WeakPolarHBondContact O-CG2 3.32Å; V241-S244 WeakPolarHBondContact CG2-OG 3.38Å; V241-S244 PolarHBondContact N-OG 3.12Å; V241-S244 VanDerWaalsContact O-CB 3.22Å; V241-S244 WeakPolarHBondContact O-CB 3.1Å; V241-S244 PolarHBondContact O-N 2.9Å; V241-S244 VanDerWaalsContact O-N 3.11Å; V241-S244 PolarHBondContact O-OG 3.46Å; V241-T325 VanDerWaalsContact O-CG2 3.29Å; V241-T325 WeakPolarHBondContact O-CG2 3.3Å; V241-D328 WeakPolarHBondContact CA-OD1 3.4Å
242	K	96.3	Very high	94.4	Very high	109 Å²	109	20.8 Å²	20.8	47%	0.474	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	140.8	169.2	-176.6	-167.5	172.5	-157.4	0	111.1	S244 D328	K242-S244 PolarHBondContact O-N 3.06Å; K242-D328 WeakPolarHBondContact CB-OD1 3.49Å; K242-D328 PolarHBondContact N-OD1 2.86Å
243	D	95.8	Very high	94.4	Very high	24 Å²	24	15.8 Å²	15.8	13%	0.128	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	9.8	-179	-63.4	-54.5	0	0	0	114	I90 R94 T325	I90-D243 HydrophobicContact CG2-CB 4.02Å; I90-D243 VanDerWaalsContact CG2-OD1 3.23Å; I90-D243 WeakPolarHBondContact CG2-OD1 3.38Å; R94-D243 IonicContact CZ-OD1 3.85Å; R94-D243 IonicContact NE-OD1 3.92Å; R94-D243 PolarHBondContact NE-OD1 3.49Å; R94-D243 IonicContact NH2-OD1 3.12Å; R94-D243 PolarHBondContact NH2-OD1 3.07Å; R94-D243 IonicContact NH2-OD2 3.76Å; D243-T325 PolarHBondContact N-O 2.84Å
244	S	97.1	Very high	94.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.			trans	-65.3	136.4	168	-56.1	0	0	0	0	111.8	V241 K242 T325	V241-S244 WeakPolarHBondContact CG2-OG 3.38Å; V241-S244 PolarHBondContact N-OG 3.12Å; V241-S244 VanDerWaalsContact O-CB 3.22Å; V241-S244 WeakPolarHBondContact O-CB 3.1Å; V241-S244 PolarHBondContact O-N 2.9Å; V241-S244 VanDerWaalsContact O-N 3.11Å; V241-S244 PolarHBondContact O-OG 3.46Å; K242-S244 PolarHBondContact O-N 3.06Å; S244-T325 WeakPolarHBondContact O-CB 3.48Å; S244-T325 PolarHBondContact O-N 3.29Å
245	Y	97.2	Very high	95	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.8	178.3	177.2	-100.6	0	0	0	111.6	N84 F89 I90 L93 Q167 D247 A322 V323 L324	N84-Y245 HydrophobicContact CB-CE1 4.31Å; F89-Y245 AromaticContact CE1-CD1 3.7Å; F89-Y245 HydrophobicContact CE1-CD1 3.7Å; F89-Y245 AromaticContact CE1-CD2 3.99Å; F89-Y245 HydrophobicContact CE1-CD2 3.99Å; F89-Y245 AromaticContact CE1-CE1 3.51Å; F89-Y245 HydrophobicContact CE1-CE1 3.51Å; F89-Y245 AromaticContact CE1-CE2 3.81Å; F89-Y245 HydrophobicContact CE1-CE2 3.81Å; F89-Y245 AromaticContact CE1-CG 3.94Å; F89-Y245 HydrophobicContact CE1-CG 3.94Å; F89-Y245 AromaticContact CE1-CZ 3.57Å; F89-Y245 HydrophobicContact CZ-CD1 4.39Å; F89-Y245 AromaticContact CZ-CE1 3.73Å; F89-Y245 HydrophobicContact CZ-CE1 3.73Å; F89-Y245 HydrophobicContact CZ-CE2 4.08Å; F89-Y245 AromaticContact CZ-CZ 3.56Å; I90-Y245 HydrophobicContact CD1-CG 4.16Å; L93-Y245 HydrophobicContact CD2-CD2 3.66Å; L93-Y245 HydrophobicContact CD2-CE2 3.54Å; Q167-Y245 PolarHBondContact NE2-O 2.91Å; Y245-D247 HydrophobicContact CD1-CB 4.46Å; Y245-D247 VanDerWaalsContact CE1-CA 3.45Å; Y245-D247 HydrophobicContact CE1-CB 3.62Å; Y245-D247 WeakPolarHBondContact CE1-OD1 3.43Å; Y245-D247 PolarHBondContact OH-OD1 3.16Å; Y245-A322 HydrophobicContact CE2-CB 4.08Å; Y245-V323 WeakPolarHBondContact CA-O 3.46Å; Y245-L324 HydrophobicContact CD2-CB 4.39Å
246	T	95.4	Very high	95.1	Very high	31 Å²	31	14.4 Å²	14.4	19%	0.19	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122	169.7	-57.8	0	0	0	0	107.4	I193 A322 V323	I193-T246 HydrophobicContact CD1-CG2 4.35Å; T246-A322 WeakPolarHBondContact O-CA 3.3Å; T246-A322 WeakPolarHBondContact O-CB 3.4Å; T246-V323 PolarHBondContact N-O 2.87Å; T246-V323 PolarHBondContact O-N 3.38Å
247	D	95.3	Very high	95.2	Very high	16 Å²	16	13 Å²	13	9%	0.086	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	175.4	-172.7	-154.8	9.5	0	0	0	113.9	N84 Y245 H249 W284	N84-D247 PolarHBondContact ND2-OD2 3.24Å; Y245-D247 HydrophobicContact CD1-CB 4.46Å; Y245-D247 VanDerWaalsContact CE1-CA 3.45Å; Y245-D247 HydrophobicContact CE1-CB 3.62Å; Y245-D247 WeakPolarHBondContact CE1-OD1 3.43Å; Y245-D247 PolarHBondContact OH-OD1 3.16Å; D247-H249 PolarHBondContact O-N 3.29Å; D247-H249 PolarHBondContact O-ND1 3.47Å; D247-W284 WeakPolarHBondContact OD2-CZ2 3.45Å
248	F	96.3	Very high	95.2	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	121.2	-175.3	-73.8	-79	0	0	0	112.6	F269 I271 W284 F294 F295 A296 I320 N321 A322	F248-F269 HydrophobicContact CE1-CB 3.87Å; F248-F269 WeakPolarHBondContact CE1-O 3.45Å; F248-F269 HydrophobicContact CZ-CB 3.78Å; F248-I271 HydrophobicContact CD1-CD1 3.76Å; F248-I271 HydrophobicContact CE1-CD1 3.45Å; F248-I271 VanDerWaalsContact CE1-CD1 3.45Å; F248-I271 HydrophobicContact CE1-CG1 4.17Å; F248-I271 HydrophobicContact CZ-CD1 4.08Å; F248-W284 HydrophobicContact CB-CH2 4.06Å; F248-W284 HydrophobicContact CB-CZ3 4.21Å; F248-W284 WeakPolarHBondContact O-CH2 3.38Å; F248-W284 VanDerWaalsContact O-CZ3 3.23Å; F248-W284 WeakPolarHBondContact O-CZ3 3.36Å; F248-F294 AromaticContact CE2-CD2 3.97Å; F248-F294 HydrophobicContact CE2-CD2 3.97Å; F248-F294 AromaticContact CE2-CE2 3.54Å; F248-F294 HydrophobicContact CE2-CE2 3.54Å; F248-F294 AromaticContact CE2-CZ 3.98Å; F248-F294 HydrophobicContact CE2-CZ 3.98Å; F248-F294 HydrophobicContact CZ-CE2 4.23Å; F248-F294 HydrophobicContact CZ-CZ 4.27Å; F248-F295 HydrophobicContact CB-CB 4.09Å; F248-F295 HydrophobicContact CB-CD1 4.03Å; F248-F295 HydrophobicContact CB-CG 4.41Å; F248-F295 HydrophobicContact CD1-CD1 4.21Å; F248-F295 HydrophobicContact CD2-CB 3.66Å; F248-F295 HydrophobicContact CD2-CD1 4.42Å; F248-F295 HydrophobicContact CE2-CB 4.32Å; F248-F295 HydrophobicContact CG-CB 3.97Å; F248-F295 AromaticContact CG-CD1 3.95Å; F248-F295 HydrophobicContact CG-CD1 3.95Å; F248-F295 HydrophobicContact CG-CG 4.44Å; F248-A296 HydrophobicContact CE2-CB 4.07Å; F248-A296 HydrophobicContact CZ-CB 3.83Å; F248-I320 HydrophobicContact CB-CG2 4.18Å; F248-I320 HydrophobicContact CD1-CG2 4.09Å; F248-N321 CarbonylContact C-O 3.59Å; F248-N321 VanDerWaalsContact CA-O 3.31Å; F248-N321 WeakPolarHBondContact CA-O 3.43Å; F248-A322 HydrophobicContact CB-CB 4.44Å; F248-A322 HydrophobicContact CD1-CB 3.6Å; F248-A322 HydrophobicContact CD2-CB 3.79Å; F248-A322 HydrophobicContact CE1-CB 3.63Å; F248-A322 HydrophobicContact CE2-CB 3.84Å; F248-A322 HydrophobicContact CG-CB 3.69Å; F248-A322 HydrophobicContact CZ-CB 3.75Å
249	H	94.1	Very high	95.2	Very high	30 Å²	30	13.6 Å²	13.6	14%	0.139	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.9	179.3	60.1	-77.2	0	0	0	111.5	D247 E251 I320 N321	D247-H249 PolarHBondContact O-N 3.29Å; D247-H249 PolarHBondContact O-ND1 3.47Å; H249-E251 IonicContact NE2-OE1 3.31Å; H249-I320 WeakPolarHBondContact O-CA 3.3Å; H249-N321 PolarHBondContact CE1-ND2 3.05Å; H249-N321 PolarHBondContact CE1-O 3.38Å; H249-N321 VanDerWaalsContact CE1-O 3.3Å; H249-N321 PolarHBondContact N-O 3.41Å; H249-N321 PolarHBondContact ND1-O 3.17Å; H249-N321 PolarHBondContact NE2-ND2 3.18Å; H249-N321 PolarHBondContact O-N 2.84Å
250	I	94.3	Very high	95.2	Very high	13 Å²	13	13.8 Å²	13.8	7%	0.067	7%	0.068	C	C	.	.			trans	-110.5	133.5	161.7	-60.3	175.7	0	0	0	106.9	L278 Y281 I320 A348	I250-L278 HydrophobicContact CD1-CD2 3.53Å; I250-Y281 HydrophobicContact CB-CE1 4.29Å; I250-Y281 HydrophobicContact CD1-CD1 3.53Å; I250-Y281 HydrophobicContact CD1-CE1 3.57Å; I250-Y281 HydrophobicContact CD1-CG 4.2Å; I250-Y281 HydrophobicContact CG1-CD1 4.05Å; I250-Y281 HydrophobicContact CG1-CE1 3.74Å; I250-Y281 HydrophobicContact CG1-CE2 4.37Å; I250-Y281 HydrophobicContact CG1-CG 4.49Å; I250-Y281 PolarHBondContact N-OH 2.83Å; I250-I320 HydrophobicContact CD1-CD1 4.5Å; I250-I320 HydrophobicContact CD1-CG1 3.69Å; I250-I320 HydrophobicContact CG1-CB 4.29Å; I250-I320 HydrophobicContact CG1-CG1 3.5Å; I250-I320 VanDerWaalsContact CG1-CG1 3.5Å; I250-A348 HydrophobicContact CG2-CB 4.12Å
251	E	91.9	Very high	95.3	Very high	17 Å²	17	13.8 Å²	13.8	8%	0.079	7%	0.068	C	C	.	.			trans	-59.3	132.8	177.9	-61.1	-74.2	-168.8	0	0	111.8	H249 G254 A255 V257 Y259 H335	H249-E251 IonicContact NE2-OE1 3.31Å; E251-G254 WeakPolarHBondContact O-CA 3.13Å; E251-G254 PolarHBondContact O-N 3.43Å; E251-A255 HydrophobicContact CB-CB 4.49Å; E251-V257 HydrophobicContact CB-CG2 4.23Å; E251-V257 HydrophobicContact CG-CG2 3.62Å; E251-Y259 PolarHBondContact OE1-OH 3.18Å; E251-H335 IonicContact OE2-CE1 2.72Å; E251-H335 PolarHBondContact OE2-CE1 3.01Å; E251-H335 IonicContact OE2-ND1 2.66Å; E251-H335 IonicContact OE2-NE2 2.69Å
252	C	87.9	Confident	95.3	Very high	19 Å²	19	14.1 Å²	14.1	13%	0.128	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-59.1	144	-171.9	-53.7	0	0	0	0	112.5	G254 A255 E352 T361 F363	C252-G254 PolarHBondContact O-N 3.31Å; C252-A255 WeakPolarHBondContact O-CB 3.46Å; C252-A255 PolarHBondContact O-N 2.96Å; C252-E352 WeakPolarHBondContact CA-OE2 3.42Å; C252-T361 PolarHBondContact SG-O 3.43Å; C252-F363 HydrophobicContact CB-CB 4.21Å
253	G	87.8	Confident	95.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	64.3	8.5	-168.7	0	0	0	0	0	114.3	A255 Q345 E352 F366	G253-A255 PolarHBondContact O-N 3.17Å; G253-Q345 WeakPolarHBondContact O-CA 3.42Å; G253-E352 PolarHBondContact N-OE2 3.34Å; G253-F366 VanDerWaalsContact O-CE2 3.25Å; G253-F366 WeakPolarHBondContact O-CE2 3.27Å
254	G	92.6	Very high	95.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	60.7	32.6	-168.5	0	0	0	0	0	113.2	E251 C252 S317 Q345	E251-G254 WeakPolarHBondContact O-CA 3.13Å; E251-G254 PolarHBondContact O-N 3.43Å; C252-G254 PolarHBondContact O-N 3.31Å; G254-S317 VanDerWaalsContact O-CA 3.26Å; G254-S317 WeakPolarHBondContact O-CA 3.44Å; G254-S317 WeakPolarHBondContact O-CB 3.42Å; G254-S317 PolarHBondContact O-OG 3.23Å; G254-Q345 VanDerWaalsContact O-CG 3.31Å; G254-Q345 WeakPolarHBondContact O-CG 3.47Å
255	A	95.4	Very high	95.5	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.017	7%	0.069	C	C	.	.			trans	-56.4	148.8	179.2	0	0	0	0	0	111.8	E251 C252 G253 H335 V337 F363	E251-A255 HydrophobicContact CB-CB 4.49Å; C252-A255 WeakPolarHBondContact O-CB 3.46Å; C252-A255 PolarHBondContact O-N 2.96Å; G253-A255 PolarHBondContact O-N 3.17Å; A255-H335 HydrophobicContact CB-CB 3.99Å; A255-V337 HydrophobicContact CB-CG1 4.14Å; A255-F363 HydrophobicContact CB-CD2 4.42Å; A255-F363 HydrophobicContact CB-CE2 4.4Å
256	S	97.9	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	152.3	160.6	-66	0	0	0	0	108.8	V315 P316 S317 H335 F336 H338	S256-V315 CarbonylContact C-O 3.53Å; S256-V315 VanDerWaalsContact CA-O 3.32Å; S256-V315 WeakPolarHBondContact CA-O 3.33Å; S256-P316 WeakPolarHBondContact OG-CA 3.49Å; S256-S317 PolarHBondContact OG-N 3.17Å; S256-S317 PolarHBondContact OG-OG 3.29Å; S256-H335 CarbonylContact O-C 3.58Å; S256-H335 WeakPolarHBondContact O-CA 3.32Å; S256-F336 PolarHBondContact N-O 3.06Å; S256-F336 WeakPolarHBondContact O-CD1 3.08Å; S256-F336 WeakPolarHBondContact O-CE1 3.29Å; S256-F336 PolarHBondContact O-N 3.4Å; S256-H338 PolarHBondContact OG-CE1 3.48Å; S256-H338 VanDerWaalsContact OG-CE1 3.3Å; S256-H338 PolarHBondContact OG-NE2 2.68Å
257	V	97.1	Very high	95.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	-176.6	179.5	0	0	0	0	111.1	E251 Y259 F314 V315 H335	E251-V257 HydrophobicContact CB-CG2 4.23Å; E251-V257 HydrophobicContact CG-CG2 3.62Å; V257-Y259 HydrophobicContact CB-CE2 4.09Å; V257-Y259 HydrophobicContact CG1-CD2 3.78Å; V257-Y259 HydrophobicContact CG1-CE1 4.18Å; V257-Y259 HydrophobicContact CG1-CE2 3.39Å; V257-Y259 HydrophobicContact CG1-CG 4.34Å; V257-F314 CarbonylContact O-C 3.6Å; V257-F314 WeakPolarHBondContact O-CA 3.19Å; V257-V315 PolarHBondContact N-O 3.06Å; V257-V315 PolarHBondContact O-N 3.2Å; V257-H335 HydrophobicContact CG2-CB 4.13Å; V257-H335 WeakPolarHBondContact CG2-CD2 3.49Å
258	W	97.8	Very high	95.8	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.2	164.1	66.5	-84.1	0	0	0	109.6	M137 M139 V206 P209 V212 H260 L313 F314 F332 S333 G334	M137-W258 HydrophobicContact CE-CE3 4.35Å; M137-W258 HydrophobicContact CE-CZ3 4.19Å; M139-W258 HydrophobicContact CE-CH2 3.61Å; M139-W258 HydrophobicContact CE-CZ3 3.44Å; M139-W258 VanDerWaalsContact CE-CZ3 3.44Å; V206-W258 HydrophobicContact CG1-CH2 4.47Å; P209-W258 HydrophobicContact CG-CB 4.47Å; P209-W258 HydrophobicContact CG-CD2 4.1Å; P209-W258 HydrophobicContact CG-CE3 4.25Å; P209-W258 HydrophobicContact CG-CG 4.19Å; V212-W258 HydrophobicContact CG2-CB 4.17Å; V212-W258 HydrophobicContact CG2-CG 4.01Å; W258-H260 HydrophobicContact CE3-CB 4.33Å; W258-H260 HydrophobicContact CZ3-CB 4.03Å; W258-L313 CarbonylContact C-O 3.57Å; W258-L313 WeakPolarHBondContact CA-O 3.4Å; W258-F314 HydrophobicContact CB-CD1 3.64Å; W258-F314 HydrophobicContact CB-CE1 3.7Å; W258-F332 HydrophobicContact CH2-CB 4Å; W258-F332 HydrophobicContact CZ3-CB 4.12Å; W258-S333 VanDerWaalsContact CZ2-C 3.48Å; W258-S333 WeakPolarHBondContact CZ2-O 3.46Å; W258-S333 WeakPolarHBondContact O-CA 3.49Å; W258-S333 WeakPolarHBondContact O-CB 3.31Å; W258-G334 PolarHBondContact N-O 3.21Å; W258-G334 VanDerWaalsContact N-O 3.15Å; W258-G334 VanDerWaalsContact NE1-CA 3.34Å; W258-G334 PolarHBondContact NE1-O 3.18Å; W258-G334 PolarHBondContact O-N 2.94Å
259	Y	98	Very high	96	Very high	18 Å²	18	11.4 Å²	11.4	7%	0.071	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.3	174.9	-70	-80.9	0	0	0	109.8	L238 E251 V257 F268 T312 L313 V315 S333	L238-Y259 HydrophobicContact CD1-CD1 3.72Å; L238-Y259 HydrophobicContact CD1-CE1 3.73Å; E251-Y259 PolarHBondContact OE1-OH 3.18Å; V257-Y259 HydrophobicContact CB-CE2 4.09Å; V257-Y259 HydrophobicContact CG1-CD2 3.78Å; V257-Y259 HydrophobicContact CG1-CE1 4.18Å; V257-Y259 HydrophobicContact CG1-CE2 3.39Å; V257-Y259 HydrophobicContact CG1-CG 4.34Å; Y259-F268 HydrophobicContact CD1-CZ 4.1Å; Y259-F268 AromaticContact CD2-CE1 3.72Å; Y259-F268 HydrophobicContact CD2-CE1 3.72Å; Y259-F268 AromaticContact CD2-CZ 3.68Å; Y259-F268 HydrophobicContact CD2-CZ 3.68Å; Y259-F268 HydrophobicContact CE1-CE1 4.43Å; Y259-F268 HydrophobicContact CE1-CZ 4.41Å; Y259-F268 AromaticContact CE2-CE1 3.56Å; Y259-F268 HydrophobicContact CE2-CE1 3.56Å; Y259-F268 AromaticContact CE2-CZ 3.98Å; Y259-F268 HydrophobicContact CE2-CZ 3.98Å; Y259-F268 HydrophobicContact CG-CE1 4.2Å; Y259-F268 AromaticContact CG-CZ 3.74Å; Y259-F268 HydrophobicContact CG-CZ 3.74Å; Y259-F268 AromaticContact CZ-CE1 3.95Å; Y259-T312 CarbonylContact O-C 3.58Å; Y259-T312 VanDerWaalsContact O-CA 3.25Å; Y259-T312 WeakPolarHBondContact O-CA 3.5Å; Y259-T312 WeakPolarHBondContact O-CG2 3.43Å; Y259-L313 PolarHBondContact N-O 3.14Å; Y259-L313 PolarHBondContact O-N 3.02Å; Y259-V315 HydrophobicContact CD2-CG2 4.38Å; Y259-V315 HydrophobicContact CE2-CG2 4.36Å; Y259-S333 VanDerWaalsContact CD1-CB 3.47Å
260	H	98.3	Very high	96.2	Very high	4 Å²	4	10 Å²	10	2%	0.019	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.8	174.5	-177.1	72.1	0	0	0	110.6	M137 M139 W258 G310 Q311 T312 A331 F332	M137-H260 HydrophobicContact CE-CB 3.87Å; M139-H260 HydrophobicContact CE-CB 4.09Å; W258-H260 HydrophobicContact CE3-CB 4.33Å; W258-H260 HydrophobicContact CZ3-CB 4.03Å; H260-G310 PolarHBondContact CE1-O 2.72Å; H260-Q311 PolarHBondContact ND1-O 2.94Å; H260-Q311 VanDerWaalsContact ND1-O 3.12Å; H260-T312 HydrophobicContact CB-CG2 4.47Å; H260-T312 PolarHBondContact ND1-OG1 3.33Å; H260-A331 CarbonylContact O-C 3.52Å; H260-A331 VanDerWaalsContact O-CA 3.27Å; H260-A331 WeakPolarHBondContact O-CA 3.46Å; H260-A331 WeakPolarHBondContact O-CB 3.43Å; H260-F332 PolarHBondContact N-O 3.12Å; H260-F332 PolarHBondContact O-N 2.97Å
261	V	98.3	Very high	96.4	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.006	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.4	-179.3	-179.6	0	0	0	0	109.5	K263 G264 L307 Q309 G310 Q311 A331	V261-K263 WeakPolarHBondContact CG1-O 3.37Å; V261-G264 WeakPolarHBondContact CG1-O 3.33Å; V261-L307 HydrophobicContact CG2-CD2 3.79Å; V261-L307 HydrophobicContact CG2-CG 3.83Å; V261-Q309 HydrophobicContact CG1-CB 4.5Å; V261-Q309 WeakPolarHBondContact O-CA 3.31Å; V261-G310 PolarHBondContact O-N 3.11Å; V261-Q311 PolarHBondContact N-O 3.21Å; V261-A331 HydrophobicContact CG2-CB 4.3Å
262	L	97.8	Very high	96.7	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.052	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-38.9	176.5	-170.2	79.1	0	0	0	111.3	P140 F144 Q309 L330 F332	P140-L262 HydrophobicContact CG-CD1 4.36Å; P140-L262 HydrophobicContact CG-CD2 4.06Å; P140-L262 WeakPolarHBondContact O-CD1 3.43Å; F144-L262 HydrophobicContact CB-CD2 4.2Å; F144-L262 HydrophobicContact CD1-CD2 3.99Å; L262-Q309 VanDerWaalsContact O-CD 3.29Å; L262-Q309 VanDerWaalsContact O-CG 3.29Å; L262-Q309 WeakPolarHBondContact O-CG 3.33Å; L262-Q309 PolarHBondContact O-NE2 2.72Å; L262-L330 WeakPolarHBondContact CA-O 3.36Å; L262-L330 WeakPolarHBondContact CB-O 3.35Å; L262-L330 HydrophobicContact CD2-CD2 4.03Å; L262-L330 PolarHBondContact N-O 3.36Å; L262-F332 HydrophobicContact CB-CE2 4.39Å; L262-F332 HydrophobicContact CD2-CE2 4.21Å
263	K	97.4	Very high	97.1	Very high	34 Å²	34	12 Å²	12	15%	0.148	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.4	178.6	-71.1	178.5	169.6	164.2	0	110.5	P142 F144 Y145 V261 C329 L330	P142-K263 WeakPolarHBondContact O-CE 3.41Å; P142-K263 PolarHBondContact O-NZ 3.37Å; F144-K263 WeakPolarHBondContact O-CE 3.49Å; F144-K263 PolarHBondContact O-NZ 2.88Å; Y145-K263 HydrophobicContact CE1-CD 4.49Å; Y145-K263 VanDerWaalsContact CE2-NZ 3.3Å; V261-K263 WeakPolarHBondContact CG1-O 3.37Å; K263-C329 WeakPolarHBondContact O-CA 3.42Å; K263-C329 PolarHBondContact O-SG 3.08Å; K263-L330 HydrophobicContact CB-CB 4.32Å; K263-L330 PolarHBondContact N-O 3.12Å; K263-L330 PolarHBondContact O-N 2.94Å
264	G	97.2	Very high	97.6	Very high	20 Å²	20	14.5 Å²	14.5	21%	0.206	8%	0.077	C	C	.	.	S	Bend	trans	86.7	-151	177.9	0	0	0	0	0	113.5	V261 Q309 D328	V261-G264 WeakPolarHBondContact CG1-O 3.33Å; G264-Q309 WeakPolarHBondContact O-CB 3.38Å; G264-Q309 PolarHBondContact O-N 3Å; G264-D328 WeakPolarHBondContact CA-O 3.33Å
265	E	97.8	Very high	97.7	Very high	47 Å²	47	19.1 Å²	19.1	22%	0.22	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.8	-178.1	-176.4	177.7	108.9	0	0	109.4	T306 K308 P326 V327	E265-T306 HydrophobicContact CG-CG2 3.67Å; E265-T306 VanDerWaalsContact OE1-CG2 3.31Å; E265-T306 WeakPolarHBondContact OE1-CG2 3.29Å; E265-T306 WeakPolarHBondContact OE2-CG2 3.35Å; E265-K308 HydrophobicContact CG-CG 4.37Å; E265-K308 WeakPolarHBondContact OE2-CE 3.31Å; E265-P326 HydrophobicContact CB-CG 3.97Å; E265-P326 HydrophobicContact CG-CG 3.97Å; E265-P326 WeakPolarHBondContact O-CD 3.42Å; E265-V327 HydrophobicContact CB-CG2 4.11Å
266	K	98.2	Very high	97.8	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.039	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.1	167.3	-75.8	-168.4	166.5	-165.7	0	110.8	C240 F268 L307 V323	C240-K266 VanDerWaalsContact SG-CE 3.53Å; C240-K266 PolarHBondContact SG-NZ 2.84Å; K266-F268 HydrophobicContact CB-CD2 4.48Å; K266-F268 HydrophobicContact CB-CE2 3.93Å; K266-L307 PolarHBondContact N-O 3.18Å; K266-L307 PolarHBondContact O-N 2.86Å; K266-V323 HydrophobicContact CB-CG1 4.38Å; K266-V323 HydrophobicContact CD-CG1 3.94Å; K266-V323 HydrophobicContact CG-CG1 4.44Å
267	I	98.5	Very high	97.8	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.1	175.6	-61.5	172.6	0	0	0	107.6	F269 K304 V323 L324 P326	I267-F269 HydrophobicContact CG2-CE1 4.27Å; I267-F269 HydrophobicContact CG2-CE2 4.03Å; I267-F269 HydrophobicContact CG2-CZ 3.82Å; I267-K304 HydrophobicContact CG2-CD 4.4Å; I267-K304 HydrophobicContact CG2-CG 3.78Å; I267-V323 WeakPolarHBondContact O-CA 3.29Å; I267-L324 HydrophobicContact CB-CB 4.38Å; I267-L324 PolarHBondContact N-O 2.85Å; I267-L324 PolarHBondContact O-N 3.22Å; I267-P326 HydrophobicContact CD1-CB 4.02Å; I267-P326 HydrophobicContact CD1-CG 3.89Å; I267-P326 HydrophobicContact CG1-CG 3.98Å
268	F	98.6	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.4	174.9	-65.7	-101.5	0	0	0	109.9	Y259 K266 L270 C305 L307 L313 A322 V323	Y259-F268 HydrophobicContact CD1-CZ 4.1Å; Y259-F268 AromaticContact CD2-CE1 3.72Å; Y259-F268 HydrophobicContact CD2-CE1 3.72Å; Y259-F268 AromaticContact CD2-CZ 3.68Å; Y259-F268 HydrophobicContact CD2-CZ 3.68Å; Y259-F268 HydrophobicContact CE1-CE1 4.43Å; Y259-F268 HydrophobicContact CE1-CZ 4.41Å; Y259-F268 AromaticContact CE2-CE1 3.56Å; Y259-F268 HydrophobicContact CE2-CE1 3.56Å; Y259-F268 AromaticContact CE2-CZ 3.98Å; Y259-F268 HydrophobicContact CE2-CZ 3.98Å; Y259-F268 HydrophobicContact CG-CE1 4.2Å; Y259-F268 AromaticContact CG-CZ 3.74Å; Y259-F268 HydrophobicContact CG-CZ 3.74Å; Y259-F268 AromaticContact CZ-CE1 3.95Å; K266-F268 HydrophobicContact CB-CD2 4.48Å; K266-F268 HydrophobicContact CB-CE2 3.93Å; F268-L270 HydrophobicContact CB-CD2 3.9Å; F268-L270 HydrophobicContact CB-CG 4.05Å; F268-C305 HydrophobicContact CB-CB 4.27Å; F268-C305 PolarHBondContact N-O 2.85Å; F268-C305 PolarHBondContact O-N 3.39Å; F268-L307 HydrophobicContact CD2-CB 4.23Å; F268-L307 HydrophobicContact CE2-CB 3.98Å; F268-L307 HydrophobicContact CE2-CD2 3.75Å; F268-L307 HydrophobicContact CZ-CD2 4.38Å; F268-L313 HydrophobicContact CD1-CD2 4.26Å; F268-L313 HydrophobicContact CD2-CD2 3.8Å; F268-L313 HydrophobicContact CE1-CD2 4.38Å; F268-L313 HydrophobicContact CE2-CD2 3.94Å; F268-L313 HydrophobicContact CG-CD2 3.97Å; F268-L313 HydrophobicContact CZ-CD2 4.23Å; F268-A322 CarbonylContact C-O 3.41Å; F268-A322 WeakPolarHBondContact CA-O 3.44Å; F268-V323 HydrophobicContact CD1-CG2 3.66Å; F268-V323 HydrophobicContact CE1-CG1 4.37Å; F268-V323 HydrophobicContact CE1-CG2 3.68Å; F268-V323 HydrophobicContact CG-CG2 4.5Å; F268-V323 HydrophobicContact CZ-CG1 4.49Å
269	F	98.5	Very high	97.6	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	104.5	171.5	-61.7	-81.3	0	0	0	107.5	L93 F98 F248 I267 Y303 K304 N321 A322 L324	L93-F269 HydrophobicContact CD1-CE1 3.96Å; L93-F269 HydrophobicContact CD1-CE2 3.97Å; L93-F269 HydrophobicContact CD1-CZ 3.58Å; L93-F269 HydrophobicContact CD2-CE2 3.96Å; L93-F269 HydrophobicContact CD2-CZ 4.21Å; L93-F269 HydrophobicContact CG-CE2 4.16Å; L93-F269 HydrophobicContact CG-CZ 3.88Å; F98-F269 HydrophobicContact CD1-CD1 4.13Å; F98-F269 HydrophobicContact CD1-CE1 4.44Å; F98-F269 HydrophobicContact CD2-CD1 4.31Å; F98-F269 AromaticContact CD2-CE1 3.82Å; F98-F269 HydrophobicContact CD2-CE1 3.82Å; F98-F269 AromaticContact CE1-CD1 3.93Å; F98-F269 HydrophobicContact CE1-CD1 3.93Å; F98-F269 HydrophobicContact CE1-CE1 4.17Å; F98-F269 HydrophobicContact CE2-CD1 4.12Å; F98-F269 AromaticContact CE2-CE1 3.51Å; F98-F269 HydrophobicContact CE2-CE1 3.51Å; F98-F269 HydrophobicContact CE2-CZ 4.42Å; F98-F269 HydrophobicContact CG-CD1 4.33Å; F98-F269 HydrophobicContact CG-CE1 4.28Å; F98-F269 AromaticContact CZ-CD1 3.92Å; F98-F269 HydrophobicContact CZ-CD1 3.92Å; F98-F269 AromaticContact CZ-CE1 3.71Å; F98-F269 HydrophobicContact CZ-CE1 3.71Å; F248-F269 HydrophobicContact CE1-CB 3.87Å; F248-F269 WeakPolarHBondContact CE1-O 3.45Å; F248-F269 HydrophobicContact CZ-CB 3.78Å; I267-F269 HydrophobicContact CG2-CE1 4.27Å; I267-F269 HydrophobicContact CG2-CE2 4.03Å; I267-F269 HydrophobicContact CG2-CZ 3.82Å; F269-Y303 CarbonylContact C-O 3.6Å; F269-Y303 WeakPolarHBondContact CA-O 3.41Å; F269-K304 HydrophobicContact CE1-CD 4.38Å; F269-K304 HydrophobicContact CE1-CG 4.27Å; F269-N321 VanDerWaalsContact O-CA 3.29Å; F269-N321 WeakPolarHBondContact O-CA 3.36Å; F269-A322 HydrophobicContact CB-CB 4.33Å; F269-A322 HydrophobicContact CD2-CB 4.45Å; F269-A322 PolarHBondContact N-O 2.83Å; F269-A322 PolarHBondContact O-N 2.82Å; F269-A322 VanDerWaalsContact O-N 3.11Å; F269-L324 HydrophobicContact CE2-CB 3.79Å
270	L	98.6	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.2	-165.3	-60.7	174.9	0	0	0	111.1	I104 P126 F268 Y303 C305 W319 N321	I104-L270 HydrophobicContact CD1-CB 4.48Å; P126-L270 HydrophobicContact CB-CD1 4.34Å; P126-L270 HydrophobicContact CG-CD1 4.02Å; F268-L270 HydrophobicContact CB-CD2 3.9Å; F268-L270 HydrophobicContact CB-CG 4.05Å; L270-Y303 PolarHBondContact N-O 2.92Å; L270-Y303 PolarHBondContact O-N 3.39Å; L270-C305 HydrophobicContact CD1-CB 3.67Å; L270-C305 HydrophobicContact CG-CB 4.36Å; L270-W319 HydrophobicContact CB-CE3 4.11Å; L270-W319 HydrophobicContact CB-CZ3 4.07Å; L270-N321 HydrophobicContact CD2-CB 3.92Å
271	I	98.6	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123	178.9	-63.7	166.6	0	0	0	109.1	F248 N277 F295 V299 C302 I320	F248-I271 HydrophobicContact CD1-CD1 3.76Å; F248-I271 HydrophobicContact CE1-CD1 3.45Å; F248-I271 VanDerWaalsContact CE1-CD1 3.45Å; F248-I271 HydrophobicContact CE1-CG1 4.17Å; F248-I271 HydrophobicContact CZ-CD1 4.08Å; I271-N277 HydrophobicContact CG2-CB 4.13Å; I271-N277 WeakPolarHBondContact CG2-ND2 3.39Å; I271-F295 HydrophobicContact CD1-CD1 3.61Å; I271-F295 HydrophobicContact CD1-CE1 3.69Å; I271-F295 HydrophobicContact CG2-CE1 4.46Å; I271-V299 HydrophobicContact CD1-CG2 3.76Å; I271-V299 HydrophobicContact CG1-CG2 4.04Å; I271-V299 HydrophobicContact CG2-CB 4.44Å; I271-V299 HydrophobicContact CG2-CG1 4.25Å; I271-V299 HydrophobicContact CG2-CG2 4.11Å; I271-C302 HydrophobicContact CD1-CB 4.18Å; I271-C302 HydrophobicContact CG1-CB 3.8Å; I271-I320 HydrophobicContact CB-CB 4.08Å; I271-I320 HydrophobicContact CG2-CB 4.41Å; I271-I320 HydrophobicContact CG2-CD1 4.2Å; I271-I320 PolarHBondContact N-O 3.14Å; I271-I320 PolarHBondContact O-N 2.85Å; I271-I320 VanDerWaalsContact O-N 3.14Å
272	K	97.9	Very high	97.2	Very high	75 Å²	75	28.6 Å²	28.6	33%	0.326	17%	0.171	S	C	.	.			trans	-65.8	135.7	-175.7	-171.1	165.5	-170.3	146.4	0	111.3	E125 T274 N277 W319	E125-K272 WeakPolarHBondContact OE1-CE 3.46Å; E125-K272 IonicContact OE1-NZ 3.73Å; E125-K272 PolarHBondContact OE1-NZ 3.27Å; E125-K272 WeakPolarHBondContact OE2-CE 3.48Å; E125-K272 IonicContact OE2-NZ 2.77Å; E125-K272 PolarHBondContact OE2-NZ 3.02Å; K272-T274 HydrophobicContact CB-CG2 4.49Å; K272-T274 HydrophobicContact CG-CG2 4.37Å; K272-T274 PolarHBondContact O-N 2.83Å; K272-N277 WeakPolarHBondContact O-CB 3.38Å; K272-N277 PolarHBondContact O-ND2 2.82Å; K272-W319 HydrophobicContact CB-CH2 3.73Å; K272-W319 HydrophobicContact CB-CZ2 4.06Å; K272-W319 HydrophobicContact CB-CZ3 4.02Å; K272-W319 HydrophobicContact CD-CH2 4.28Å; K272-W319 HydrophobicContact CD-CZ2 4.23Å; K272-W319 HydrophobicContact CG-CH2 3.91Å; K272-W319 HydrophobicContact CG-CZ2 3.76Å
273	P	97.4	Very high	96.9	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.104	20%	0.197	C	C	.	.			trans	-78.9	63.7	-177	31.4	-35.5	0	0	0	113	L278 G318 W319 M344	P273-L278 HydrophobicContact CB-CD1 4.4Å; P273-L278 HydrophobicContact CB-CD2 4.13Å; P273-L278 HydrophobicContact CB-CG 4.31Å; P273-G318 WeakPolarHBondContact CB-O 3.41Å; P273-W319 HydrophobicContact CG-CG 4.18Å; P273-M344 HydrophobicContact CB-CE 3.76Å; P273-M344 HydrophobicContact CB-SD 4.05Å; P273-M344 HydrophobicContact CG-CE 3.74Å; P273-M344 HydrophobicContact CG-SD 4.46Å
274	T	97.3	Very high	96.7	Very high	54 Å²	54	34.1 Å²	34.1	33%	0.331	19%	0.191	S	C	.	.			trans	-71	157.1	167.7	78.2	0	0	0	0	109.7	K272 A276 N277 L278	K272-T274 HydrophobicContact CB-CG2 4.49Å; K272-T274 HydrophobicContact CG-CG2 4.37Å; K272-T274 PolarHBondContact O-N 2.83Å; T274-A276 PolarHBondContact O-N 3.42Å; T274-A276 PolarHBondContact OG1-N 3.2Å; T274-N277 PolarHBondContact O-N 2.95Å; T274-N277 WeakPolarHBondContact OG1-CB 3.5Å; T274-N277 PolarHBondContact OG1-N 2.95Å; T274-N277 PolarHBondContact OG1-OD1 3.41Å; T274-L278 WeakPolarHBondContact O-CG 3.18Å; T274-L278 PolarHBondContact O-N 3.19Å
275	S	96	Very high	96.3	Very high	96 Å²	96	35.7 Å²	35.7	67%	0.671	19%	0.19	S	C	*	.	H	α-helix	trans	-61.6	-26.2	176.3	-167.4	0	0	0	0	113	S279	S275-S279 PolarHBondContact O-N 3Å; S275-S279 PolarHBondContact O-OG 2.87Å
276	A	96.9	Very high	95.9	Very high	58 Å²	58	37.5 Å²	37.5	48%	0.479	21%	0.208	S	C	.	.	H	α-helix	trans	-72.1	-49.8	173.9	0	0	0	0	0	110.8	T274 L278 S279 L280	T274-A276 PolarHBondContact O-N 3.42Å; T274-A276 PolarHBondContact OG1-N 3.2Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.26Å; A276-S279 PolarHBondContact O-N 3.49Å; A276-L280 WeakPolarHBondContact O-CG 3.48Å; A276-L280 PolarHBondContact O-N 2.82Å
277	N	97.8	Very high	95.4	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-36.7	-178.4	-65.1	0.5	0	0	0	112	I271 K272 T274 L280 Y281 V299 I320	I271-N277 HydrophobicContact CG2-CB 4.13Å; I271-N277 WeakPolarHBondContact CG2-ND2 3.39Å; K272-N277 WeakPolarHBondContact O-CB 3.38Å; K272-N277 PolarHBondContact O-ND2 2.82Å; T274-N277 PolarHBondContact O-N 2.95Å; T274-N277 WeakPolarHBondContact OG1-CB 3.5Å; T274-N277 PolarHBondContact OG1-N 2.95Å; T274-N277 PolarHBondContact OG1-OD1 3.41Å; N277-L280 PolarHBondContact O-N 3.31Å; N277-Y281 VanDerWaalsContact O-CB 3.3Å; N277-Y281 WeakPolarHBondContact O-CB 3.25Å; N277-Y281 PolarHBondContact O-N 3.29Å; N277-V299 HydrophobicContact CB-CG1 4.47Å; N277-I320 HydrophobicContact CB-CD1 4.12Å
278	L	96.6	Very high	94.7	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-42.9	174.2	-68.5	172.4	0	0	0	112.1	I250 P273 T274 A276 Y281 E282 I320 M344 I351	I250-L278 HydrophobicContact CD1-CD2 3.53Å; P273-L278 HydrophobicContact CB-CD1 4.4Å; P273-L278 HydrophobicContact CB-CD2 4.13Å; P273-L278 HydrophobicContact CB-CG 4.31Å; T274-L278 WeakPolarHBondContact O-CG 3.18Å; T274-L278 PolarHBondContact O-N 3.19Å; A276-L278 VanDerWaalsContact C-N 3.32Å; A276-L278 PolarHBondContact O-N 3.26Å; L278-Y281 PolarHBondContact O-N 3.46Å; L278-E282 WeakPolarHBondContact O-CB 3.39Å; L278-E282 PolarHBondContact O-N 2.73Å; L278-I320 HydrophobicContact CD2-CD1 4.36Å; L278-M344 HydrophobicContact CD1-SD 4.01Å; L278-I351 HydrophobicContact CB-CD1 4.24Å; L278-I351 HydrophobicContact CD2-CD1 4.2Å
279	S	95.3	Very high	94.1	Very high	61 Å²	61	47.1 Å²	47.1	43%	0.427	27%	0.273	S	S	.	.	H	α-helix	trans	-72.3	-26.7	175.9	-64.4	0	0	0	0	113.6	S275 A276 R283	S275-S279 PolarHBondContact O-N 3Å; S275-S279 PolarHBondContact O-OG 2.87Å; A276-S279 PolarHBondContact O-N 3.49Å; S279-R283 WeakPolarHBondContact O-CB 3.49Å; S279-R283 PolarHBondContact O-N 3Å
280	L	95.9	Very high	93.3	Very high	39 Å²	39	49.5 Å²	49.5	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-71.1	-45.8	170.1	-73	164.4	0	0	0	110.7	A276 N277 R283 W284 F295 Q298 V299	A276-L280 WeakPolarHBondContact O-CG 3.48Å; A276-L280 PolarHBondContact O-N 2.82Å; N277-L280 PolarHBondContact O-N 3.31Å; L280-R283 PolarHBondContact O-N 3.32Å; L280-W284 WeakPolarHBondContact O-CB 3.3Å; L280-W284 PolarHBondContact O-N 3.48Å; L280-F295 HydrophobicContact CB-CE2 3.96Å; L280-F295 HydrophobicContact CB-CZ 4.14Å; L280-Q298 WeakPolarHBondContact CD1-O 3.29Å; L280-V299 HydrophobicContact CD1-CG1 4.12Å
281	Y	95.6	Very high	92.7	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-46.1	176.3	170	-97.9	0	0	0	111.9	I250 N277 L278 R283 W284 R285 I320 I351 L355	I250-Y281 HydrophobicContact CB-CE1 4.29Å; I250-Y281 HydrophobicContact CD1-CD1 3.53Å; I250-Y281 HydrophobicContact CD1-CE1 3.57Å; I250-Y281 HydrophobicContact CD1-CG 4.2Å; I250-Y281 HydrophobicContact CG1-CD1 4.05Å; I250-Y281 HydrophobicContact CG1-CE1 3.74Å; I250-Y281 HydrophobicContact CG1-CE2 4.37Å; I250-Y281 HydrophobicContact CG1-CG 4.49Å; I250-Y281 PolarHBondContact N-OH 2.83Å; N277-Y281 VanDerWaalsContact O-CB 3.3Å; N277-Y281 WeakPolarHBondContact O-CB 3.25Å; N277-Y281 PolarHBondContact O-N 3.29Å; L278-Y281 PolarHBondContact O-N 3.46Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 3.23Å; Y281-W284 HydrophobicContact CD2-CE3 4.04Å; Y281-W284 HydrophobicContact CD2-CZ3 4.17Å; Y281-W284 HydrophobicContact CE2-CE3 4.23Å; Y281-W284 AromaticContact CE2-CZ3 3.94Å; Y281-W284 HydrophobicContact CE2-CZ3 3.94Å; Y281-W284 PolarHBondContact O-N 3.1Å; Y281-R285 WeakPolarHBondContact O-CB 3.44Å; Y281-R285 PolarHBondContact O-N 3.47Å; Y281-I320 HydrophobicContact CD2-CG1 4.3Å; Y281-I320 HydrophobicContact CD2-CG2 3.81Å; Y281-I320 HydrophobicContact CE2-CG2 4.26Å; Y281-I320 HydrophobicContact CG-CD1 4.25Å; Y281-I320 HydrophobicContact CG-CG1 4.2Å; Y281-I320 HydrophobicContact CG-CG2 4.5Å; Y281-I351 HydrophobicContact CE1-CG2 4.45Å; Y281-L355 HydrophobicContact CE1-CD1 4.28Å
282	E	93.2	Very high	92.2	Very high	44 Å²	44	54.4 Å²	54.4	21%	0.206	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-43.6	176.6	-173.5	174.7	175.8	0	0	111.3	L278 S286 I351 R354 L355	L278-E282 WeakPolarHBondContact O-CB 3.39Å; L278-E282 PolarHBondContact O-N 2.73Å; E282-S286 VanDerWaalsContact O-CB 3.32Å; E282-S286 WeakPolarHBondContact O-CB 3.4Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 VanDerWaalsContact O-N 3.09Å; E282-S286 PolarHBondContact O-OG 2.91Å; E282-I351 HydrophobicContact CB-CG2 4.32Å; E282-I351 HydrophobicContact CG-CG2 4.25Å; E282-R354 VanDerWaalsContact CD-NH2 3.28Å; E282-R354 IonicContact OE1-CZ 3.63Å; E282-R354 VanDerWaalsContact OE1-CZ 3.31Å; E282-R354 IonicContact OE1-NE 3.74Å; E282-R354 PolarHBondContact OE1-NE 3.47Å; E282-R354 IonicContact OE1-NH2 2.84Å; E282-R354 PolarHBondContact OE1-NH2 3.5Å; E282-R354 VanDerWaalsContact OE1-NH2 3.09Å; E282-R354 IonicContact OE2-CZ 3.13Å; E282-R354 IonicContact OE2-NE 2.7Å; E282-R354 IonicContact OE2-NH2 3.79Å; E282-R354 PolarHBondContact OE2-NH2 2.8Å; E282-L355 HydrophobicContact CG-CD2 4.02Å; E282-L355 HydrophobicContact CG-CG 4.38Å; E282-L355 WeakPolarHBondContact O-CD2 3.24Å
283	R	91.7	Very high	91.9	Very high	157 Å²	157	52.9 Å²	52.9	59%	0.592	31%	0.307	S	S	*	.	H	α-helix	trans	-65	-49.4	175.4	-171.7	-176.3	-59.3	125	6.5	112.2	S279 L280 Y281 S286 S287	S279-R283 WeakPolarHBondContact O-CB 3.49Å; S279-R283 PolarHBondContact O-N 3Å; L280-R283 PolarHBondContact O-N 3.32Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 3.23Å; R283-S286 PolarHBondContact O-N 3.43Å; R283-S286 PolarHBondContact O-OG 2.98Å; R283-S287 PolarHBondContact O-N 2.99Å
284	W	93.2	Very high	91.7	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.011	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-51.4	179.2	167.1	86.3	0	0	0	110.9	D247 F248 L280 Y281 S286 S287 H290 M293 F295	D247-W284 WeakPolarHBondContact OD2-CZ2 3.45Å; F248-W284 HydrophobicContact CB-CH2 4.06Å; F248-W284 HydrophobicContact CB-CZ3 4.21Å; F248-W284 WeakPolarHBondContact O-CH2 3.38Å; F248-W284 VanDerWaalsContact O-CZ3 3.23Å; F248-W284 WeakPolarHBondContact O-CZ3 3.36Å; L280-W284 WeakPolarHBondContact O-CB 3.3Å; L280-W284 PolarHBondContact O-N 3.48Å; Y281-W284 HydrophobicContact CD2-CE3 4.04Å; Y281-W284 HydrophobicContact CD2-CZ3 4.17Å; Y281-W284 HydrophobicContact CE2-CE3 4.23Å; Y281-W284 AromaticContact CE2-CZ3 3.94Å; Y281-W284 HydrophobicContact CE2-CZ3 3.94Å; Y281-W284 PolarHBondContact O-N 3.1Å; W284-S286 PolarHBondContact O-N 3.18Å; W284-S287 VanDerWaalsContact O-CB 3.22Å; W284-S287 WeakPolarHBondContact O-CB 3.24Å; W284-S287 PolarHBondContact O-N 2.99Å; W284-H290 HydrophobicContact CD2-CB 4.32Å; W284-H290 HydrophobicContact CZ2-CB 4.28Å; W284-H290 PolarHBondContact NE1-O 3.45Å; W284-H290 WeakPolarHBondContact O-CB 3.34Å; W284-M293 PolarHBondContact NE1-O 3.13Å; W284-F295 HydrophobicContact CB-CD2 3.63Å; W284-F295 HydrophobicContact CB-CE2 3.99Å; W284-F295 HydrophobicContact CD2-CB 3.89Å; W284-F295 AromaticContact CD2-CD2 3.87Å; W284-F295 HydrophobicContact CD2-CD2 3.87Å; W284-F295 HydrophobicContact CD2-CG 4.07Å; W284-F295 HydrophobicContact CE3-CB 4.37Å; W284-F295 HydrophobicContact CE3-CD2 4.27Å; W284-F295 HydrophobicContact CE3-CG 4.31Å; W284-F295 HydrophobicContact CG-CB 4.19Å; W284-F295 AromaticContact CG-CD2 3.55Å; W284-F295 HydrophobicContact CG-CD2 3.55Å; W284-F295 HydrophobicContact CG-CE2 4.38Å; W284-F295 HydrophobicContact CG-CG 4.2Å; W284-F295 HydrophobicContact CZ2-CB 4.18Å
285	R	89.6	Confident	91.7	Very high	54 Å²	54	50.1 Å²	50.1	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-22.2	-178.9	-169.7	53.9	167.3	173	-6.3	113.3	Y281 S287 H290 L355	Y281-R285 WeakPolarHBondContact O-CB 3.44Å; Y281-R285 PolarHBondContact O-N 3.47Å; R285-S287 VanDerWaalsContact C-N 3.34Å; R285-H290 PolarHBondContact NH1-CD2 2.85Å; R285-H290 PolarHBondContact NH1-NE2 2.86Å; R285-L355 HydrophobicContact CB-CD1 4.21Å; R285-L355 HydrophobicContact CB-CD2 4.45Å; R285-L355 HydrophobicContact CG-CD1 4.08Å
286	S	88.4	Confident	91.7	Very high	84 Å²	84	45.9 Å²	45.9	59%	0.587	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-9	170.5	73.4	0	0	0	0	114.6	E282 R283 W284	E282-S286 VanDerWaalsContact O-CB 3.32Å; E282-S286 WeakPolarHBondContact O-CB 3.4Å; E282-S286 PolarHBondContact O-N 3.22Å; E282-S286 VanDerWaalsContact O-N 3.09Å; E282-S286 PolarHBondContact O-OG 2.91Å; R283-S286 PolarHBondContact O-N 3.43Å; R283-S286 PolarHBondContact O-OG 2.98Å; W284-S286 PolarHBondContact O-N 3.18Å
287	S	87.7	Confident	91.5	Very high	38 Å²	38	48.1 Å²	48.1	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-80.3	141.8	-177.7	-154.2	0	0	0	0	111.8	R283 W284 R285 N289 H290	R283-S287 PolarHBondContact O-N 2.99Å; W284-S287 VanDerWaalsContact O-CB 3.22Å; W284-S287 WeakPolarHBondContact O-CB 3.24Å; W284-S287 PolarHBondContact O-N 2.99Å; R285-S287 VanDerWaalsContact C-N 3.34Å; S287-N289 VanDerWaalsContact C-N 3.31Å; S287-N289 PolarHBondContact O-N 2.97Å; S287-N289 PolarHBondContact OG-OD1 3.37Å; S287-H290 PolarHBondContact O-N 2.93Å; S287-H290 PolarHBondContact O-ND1 2.84Å
288	S	84.1	Confident	91.4	Very high	125 Å²	125	51.1 Å²	51.1	87%	0.874	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-36.9	176.2	48.9	0	0	0	0	112.5	H290	S288-H290 PolarHBondContact O-N 3.24Å
289	N	85.1	Confident	91.4	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	22.3	-179.5	70.8	-29.7	0	0	0	114	S287 G291 E292 M293	S287-N289 VanDerWaalsContact C-N 3.31Å; S287-N289 PolarHBondContact O-N 2.97Å; S287-N289 PolarHBondContact OG-OD1 3.37Å; N289-G291 PolarHBondContact O-N 3.48Å; N289-E292 WeakPolarHBondContact O-CB 3.37Å; N289-E292 PolarHBondContact O-N 2.91Å; N289-M293 PolarHBondContact O-N 3.09Å; N289-M293 WeakPolarHBondContact OD1-CE 3.37Å
290	H	83.4	Confident	91.3	Very high	50 Å²	50	55.9 Å²	55.9	23%	0.231	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-61.7	-32.1	-176.2	70.3	-93.9	0	0	0	113.4	W284 R285 S287 S288 E292 M293	W284-H290 HydrophobicContact CD2-CB 4.32Å; W284-H290 HydrophobicContact CZ2-CB 4.28Å; W284-H290 PolarHBondContact NE1-O 3.45Å; W284-H290 WeakPolarHBondContact O-CB 3.34Å; R285-H290 PolarHBondContact NH1-CD2 2.85Å; R285-H290 PolarHBondContact NH1-NE2 2.86Å; S287-H290 PolarHBondContact O-N 2.93Å; S287-H290 PolarHBondContact O-ND1 2.84Å; S288-H290 PolarHBondContact O-N 3.24Å; H290-E292 PolarHBondContact O-N 2.83Å; H290-M293 PolarHBondContact O-N 3Å; H290-M293 VanDerWaalsContact O-N 3.1Å; H290-M293 VanDerWaalsContact O-O 3.1Å
291	G	85.1	Confident	91.4	Very high	20 Å²	20	59 Å²	59	21%	0.206	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-66.5	-13	173.6	0	0	0	0	0	114.7	Q83 N84 N289	Q83-G291 CarbonylContact C-O 3.59Å; Q83-G291 WeakPolarHBondContact CA-O 2.94Å; Q83-G291 PolarHBondContact OE1-O 2.77Å; N84-G291 WeakPolarHBondContact CB-O 3.49Å; N84-G291 VanDerWaalsContact CG-O 3.22Å; N84-G291 PolarHBondContact N-O 3.23Å; N84-G291 PolarHBondContact OD1-O 3.37Å; N289-G291 PolarHBondContact O-N 3.48Å
292	E	89.1	Confident	91.5	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-100.1	-3.9	174.5	-67.4	176.6	179.2	0	0	112.6	A81 Q83 N289 H290	A81-E292 HydrophobicContact CB-CB 3.74Å; A81-E292 HydrophobicContact CB-CG 3.9Å; Q83-E292 PolarHBondContact NE2-OE1 3.05Å; N289-E292 WeakPolarHBondContact O-CB 3.37Å; N289-E292 PolarHBondContact O-N 2.91Å; H290-E292 PolarHBondContact O-N 2.83Å
293	M	89.6	Confident	91.7	Very high	43 Å²	43	58.2 Å²	58.2	21%	0.212	31%	0.307	C	S	.	.	S	Bend	trans	-116.7	114	-175.2	-68.8	-169.8	-65.6	0	0	110.8	N84 W284 N289 H290 F295	N84-M293 PolarHBondContact ND2-O 3.44Å; W284-M293 PolarHBondContact NE1-O 3.13Å; N289-M293 PolarHBondContact O-N 3.09Å; N289-M293 WeakPolarHBondContact OD1-CE 3.37Å; H290-M293 PolarHBondContact O-N 3Å; H290-M293 VanDerWaalsContact O-N 3.1Å; H290-M293 VanDerWaalsContact O-O 3.1Å; M293-F295 PolarHBondContact O-N 2.82Å; M293-F295 VanDerWaalsContact O-N 3.13Å
294	F	94.3	Very high	92	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.048	29%	0.292	C	S	.	.			trans	-73.8	104.2	172.5	-172.2	-121.9	0	0	0	110.5	F89 L93 F98 F248 A296 D297	F89-F294 HydrophobicContact CE2-CB 4.32Å; F89-F294 AromaticContact CE2-CD2 3.51Å; F89-F294 HydrophobicContact CE2-CD2 3.51Å; F89-F294 HydrophobicContact CE2-CE2 4.12Å; F89-F294 HydrophobicContact CE2-CG 4.16Å; F89-F294 AromaticContact CZ-CD2 3.55Å; F89-F294 HydrophobicContact CZ-CD2 3.55Å; F89-F294 AromaticContact CZ-CE2 3.75Å; F89-F294 HydrophobicContact CZ-CE2 3.75Å; L93-F294 HydrophobicContact CD1-CE1 4.26Å; L93-F294 HydrophobicContact CD1-CE2 3.74Å; L93-F294 HydrophobicContact CD1-CZ 3.39Å; F98-F294 AromaticContact CE1-CE1 3.88Å; F98-F294 HydrophobicContact CE1-CE1 3.88Å; F98-F294 HydrophobicContact CE1-CZ 4.05Å; F98-F294 AromaticContact CZ-CE1 3.73Å; F98-F294 HydrophobicContact CZ-CE1 3.73Å; F98-F294 AromaticContact CZ-CZ 3.78Å; F98-F294 HydrophobicContact CZ-CZ 3.78Å; F248-F294 AromaticContact CE2-CD2 3.97Å; F248-F294 HydrophobicContact CE2-CD2 3.97Å; F248-F294 AromaticContact CE2-CE2 3.54Å; F248-F294 HydrophobicContact CE2-CE2 3.54Å; F248-F294 AromaticContact CE2-CZ 3.98Å; F248-F294 HydrophobicContact CE2-CZ 3.98Å; F248-F294 HydrophobicContact CZ-CE2 4.23Å; F248-F294 HydrophobicContact CZ-CZ 4.27Å; F294-A296 HydrophobicContact CD1-CB 3.86Å; F294-A296 HydrophobicContact CE1-CB 3.45Å; F294-A296 VanDerWaalsContact CE1-CB 3.45Å; F294-A296 HydrophobicContact CZ-CB 3.88Å; F294-A296 PolarHBondContact O-N 3.22Å; F294-D297 PolarHBondContact O-N 3.35Å
295	F	96.4	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.5	-169.9	178.4	-112.7	0	0	0	114.8	F248 I271 L280 W284 M293 D297 Q298 V299 I320	F248-F295 HydrophobicContact CB-CB 4.09Å; F248-F295 HydrophobicContact CB-CD1 4.03Å; F248-F295 HydrophobicContact CB-CG 4.41Å; F248-F295 HydrophobicContact CD1-CD1 4.21Å; F248-F295 HydrophobicContact CD2-CB 3.66Å; F248-F295 HydrophobicContact CD2-CD1 4.42Å; F248-F295 HydrophobicContact CE2-CB 4.32Å; F248-F295 HydrophobicContact CG-CB 3.97Å; F248-F295 AromaticContact CG-CD1 3.95Å; F248-F295 HydrophobicContact CG-CD1 3.95Å; F248-F295 HydrophobicContact CG-CG 4.44Å; I271-F295 HydrophobicContact CD1-CD1 3.61Å; I271-F295 HydrophobicContact CD1-CE1 3.69Å; I271-F295 HydrophobicContact CG2-CE1 4.46Å; L280-F295 HydrophobicContact CB-CE2 3.96Å; L280-F295 HydrophobicContact CB-CZ 4.14Å; W284-F295 HydrophobicContact CB-CD2 3.63Å; W284-F295 HydrophobicContact CB-CE2 3.99Å; W284-F295 HydrophobicContact CD2-CB 3.89Å; W284-F295 AromaticContact CD2-CD2 3.87Å; W284-F295 HydrophobicContact CD2-CD2 3.87Å; W284-F295 HydrophobicContact CD2-CG 4.07Å; W284-F295 HydrophobicContact CE3-CB 4.37Å; W284-F295 HydrophobicContact CE3-CD2 4.27Å; W284-F295 HydrophobicContact CE3-CG 4.31Å; W284-F295 HydrophobicContact CG-CB 4.19Å; W284-F295 AromaticContact CG-CD2 3.55Å; W284-F295 HydrophobicContact CG-CD2 3.55Å; W284-F295 HydrophobicContact CG-CE2 4.38Å; W284-F295 HydrophobicContact CG-CG 4.2Å; W284-F295 HydrophobicContact CZ2-CB 4.18Å; M293-F295 PolarHBondContact O-N 2.82Å; M293-F295 VanDerWaalsContact O-N 3.13Å; F295-D297 PolarHBondContact O-N 3.48Å; F295-Q298 HydrophobicContact CD2-CB 4.41Å; F295-Q298 HydrophobicContact CE2-CB 4.48Å; F295-Q298 WeakPolarHBondContact O-CB 3.44Å; F295-Q298 PolarHBondContact O-N 3.2Å; F295-V299 HydrophobicContact CE1-CG1 3.98Å; F295-V299 HydrophobicContact CE2-CG1 4.27Å; F295-V299 HydrophobicContact CZ-CG1 3.68Å; F295-I320 HydrophobicContact CD1-CG2 4.08Å; F295-I320 HydrophobicContact CE1-CD1 4.21Å; F295-I320 HydrophobicContact CE1-CG2 3.8Å
296	A	96.1	Very high	92.7	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58.3	-28.5	176.8	0	0	0	0	0	113.6	F98 F248 F294 Q298 V299 C302	F98-A296 HydrophobicContact CE1-CB 4.29Å; F248-A296 HydrophobicContact CE2-CB 4.07Å; F248-A296 HydrophobicContact CZ-CB 3.83Å; F294-A296 HydrophobicContact CD1-CB 3.86Å; F294-A296 HydrophobicContact CE1-CB 3.45Å; F294-A296 VanDerWaalsContact CE1-CB 3.45Å; F294-A296 HydrophobicContact CZ-CB 3.88Å; F294-A296 PolarHBondContact O-N 3.22Å; A296-Q298 PolarHBondContact O-N 3.08Å; A296-V299 WeakPolarHBondContact O-CG2 3.49Å; A296-V299 PolarHBondContact O-N 2.99Å; A296-C302 HydrophobicContact CB-CB 3.65Å
297	D	94.2	Very high	93.1	Very high	105 Å²	105	49.8 Å²	49.8	56%	0.561	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-74.1	-9.7	179.2	-59.5	-20.1	0	0	0	112.2	R96 F294 F295	R96-D297 IonicContact CZ-OD2 2.63Å; R96-D297 VanDerWaalsContact NH1-CG 3.26Å; R96-D297 IonicContact NH1-OD1 4Å; R96-D297 PolarHBondContact NH1-OD1 2.59Å; R96-D297 IonicContact NH1-OD2 3.33Å; R96-D297 PolarHBondContact NH1-OD2 2.8Å; F294-D297 PolarHBondContact O-N 3.35Å; F295-D297 PolarHBondContact O-N 3.48Å
298	Q	94.5	Very high	93.6	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-96.7	-3.8	178.8	-54.9	-166.8	10.5	0	0	114.1	L280 F295 A296	L280-Q298 WeakPolarHBondContact CD1-O 3.29Å; F295-Q298 HydrophobicContact CD2-CB 4.41Å; F295-Q298 HydrophobicContact CE2-CB 4.48Å; F295-Q298 WeakPolarHBondContact O-CB 3.44Å; F295-Q298 PolarHBondContact O-N 3.2Å; A296-Q298 PolarHBondContact O-N 3.08Å
299	V	96.7	Very high	94.2	Very high	16 Å²	16	52.3 Å²	52.3	10%	0.097	26%	0.262	C	S	.	.	S	Bend	trans	-123.6	150.7	-174	-63.9	0	0	0	0	112.7	I271 N277 L280 F295 A296 K301 C302	I271-V299 HydrophobicContact CD1-CG2 3.76Å; I271-V299 HydrophobicContact CG1-CG2 4.04Å; I271-V299 HydrophobicContact CG2-CB 4.44Å; I271-V299 HydrophobicContact CG2-CG1 4.25Å; I271-V299 HydrophobicContact CG2-CG2 4.11Å; N277-V299 HydrophobicContact CB-CG1 4.47Å; L280-V299 HydrophobicContact CD1-CG1 4.12Å; F295-V299 HydrophobicContact CE1-CG1 3.98Å; F295-V299 HydrophobicContact CE2-CG1 4.27Å; F295-V299 HydrophobicContact CZ-CG1 3.68Å; A296-V299 WeakPolarHBondContact O-CG2 3.49Å; A296-V299 PolarHBondContact O-N 2.99Å; V299-K301 PolarHBondContact O-N 3.45Å; V299-K301 VanDerWaalsContact O-N 3.1Å; V299-C302 HydrophobicContact CG2-CB 4.47Å
300	D	94.4	Very high	94.8	Very high	154 Å²	154	50.8 Å²	50.8	82%	0.824	26%	0.261	S	S	*	.	S	Bend	trans	-53.6	-35.9	-177.3	-57.7	-29	0	0	0	114
301	K	96.3	Very high	95.5	Very high	105 Å²	105	50.1 Å²	50.1	46%	0.457	26%	0.259	S	S	.	.			trans	-153.4	129.9	-177.7	-67.8	-167.7	173.2	-163.9	0	112	V299 Y303	V299-K301 PolarHBondContact O-N 3.45Å; V299-K301 VanDerWaalsContact O-N 3.1Å; K301-Y303 HydrophobicContact CB-CD2 4.49Å; K301-Y303 HydrophobicContact CB-CE2 3.87Å; K301-Y303 HydrophobicContact CD-CE1 4.1Å; K301-Y303 HydrophobicContact CD-CE2 4.32Å; K301-Y303 WeakPolarHBondContact CD-OH 3.39Å
302	C	98.1	Very high	96.1	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.054	25%	0.249	C	C	.	.			trans	-122.7	122.2	166.3	-177.9	0	0	0	0	108.6	F98 P99 I271 A296 V299	F98-C302 HydrophobicContact CD1-CB 4.34Å; P99-C302 VanDerWaalsContact CD-O 3.27Å; P99-C302 WeakPolarHBondContact CD-O 3.36Å; P99-C302 WeakPolarHBondContact CG-O 3.46Å; I271-C302 HydrophobicContact CD1-CB 4.18Å; I271-C302 HydrophobicContact CG1-CB 3.8Å; A296-C302 HydrophobicContact CB-CB 3.65Å; V299-C302 HydrophobicContact CG2-CB 4.47Å
303	Y	98.4	Very high	96.5	Very high	25 Å²	25	45.2 Å²	45.2	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.5	-170.3	-60.8	-92.6	0	0	0	112.1	P99 D103 I104 F269 L270 K301	P99-Y303 HydrophobicContact CB-CD1 4.03Å; P99-Y303 HydrophobicContact CB-CE1 4.35Å; P99-Y303 HydrophobicContact CG-CD1 3.97Å; P99-Y303 HydrophobicContact CG-CE1 4.38Å; P99-Y303 HydrophobicContact CG-CG 4.45Å; P99-Y303 WeakPolarHBondContact O-CA 3.11Å; D103-Y303 HydrophobicContact CB-CD1 4.44Å; D103-Y303 HydrophobicContact CB-CE1 3.97Å; I104-Y303 HydrophobicContact CD1-CD1 4.3Å; I104-Y303 HydrophobicContact CD1-CD2 3.53Å; I104-Y303 HydrophobicContact CD1-CE2 4.06Å; I104-Y303 HydrophobicContact CD1-CG 3.65Å; I104-Y303 HydrophobicContact CG1-CD1 4.13Å; I104-Y303 HydrophobicContact CG1-CD2 4.2Å; I104-Y303 HydrophobicContact CG1-CE1 4.44Å; I104-Y303 HydrophobicContact CG1-CG 3.98Å; I104-Y303 HydrophobicContact CG2-CD1 4.4Å; I104-Y303 HydrophobicContact CG2-CD2 4.45Å; I104-Y303 HydrophobicContact CG2-CE1 3.87Å; I104-Y303 HydrophobicContact CG2-CE2 3.92Å; F269-Y303 CarbonylContact C-O 3.6Å; F269-Y303 WeakPolarHBondContact CA-O 3.41Å; L270-Y303 PolarHBondContact N-O 2.92Å; L270-Y303 PolarHBondContact O-N 3.39Å; K301-Y303 HydrophobicContact CB-CD2 4.49Å; K301-Y303 HydrophobicContact CB-CE2 3.87Å; K301-Y303 HydrophobicContact CD-CE1 4.1Å; K301-Y303 HydrophobicContact CD-CE2 4.32Å; K301-Y303 WeakPolarHBondContact CD-OH 3.39Å
304	K	98.3	Very high	97	Very high	63 Å²	63	43.3 Å²	43.3	27%	0.274	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.8	179.9	-178.2	175.9	180	175.7	0	111.2	F98 P99 A101 I267 F269	F98-K304 HydrophobicContact CB-CB 3.73Å; F98-K304 HydrophobicContact CB-CD 4.48Å; F98-K304 HydrophobicContact CD2-CD 4.26Å; F98-K304 HydrophobicContact CG-CB 4.35Å; P99-K304 PolarHBondContact O-N 3.44Å; A101-K304 WeakPolarHBondContact CB-O 3.21Å; A101-K304 PolarHBondContact N-O 3.05Å; I267-K304 HydrophobicContact CG2-CD 4.4Å; I267-K304 HydrophobicContact CG2-CG 3.78Å; F269-K304 HydrophobicContact CE1-CD 4.38Å; F269-K304 HydrophobicContact CE1-CG 4.27Å
305	C	98.1	Very high	97.2	Very high	7 Å²	7	43 Å²	43	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.1	178.9	-175.3	0	0	0	0	110.5	A101 F268 L270	A101-C305 HydrophobicContact CB-CB 3.48Å; A101-C305 VanDerWaalsContact CB-CB 3.48Å; F268-C305 HydrophobicContact CB-CB 4.27Å; F268-C305 PolarHBondContact N-O 2.85Å; F268-C305 PolarHBondContact O-N 3.39Å; L270-C305 HydrophobicContact CD1-CB 3.67Å; L270-C305 HydrophobicContact CG-CB 4.36Å
306	T	98	Very high	97.2	Very high	50 Å²	50	43.1 Å²	43.1	31%	0.307	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.1	172.4	-66.9	0	0	0	0	110.5	E265 K308	E265-T306 HydrophobicContact CG-CG2 3.67Å; E265-T306 VanDerWaalsContact OE1-CG2 3.31Å; E265-T306 WeakPolarHBondContact OE1-CG2 3.29Å; E265-T306 WeakPolarHBondContact OE2-CG2 3.35Å; T306-K308 HydrophobicContact CG2-CG 3.95Å
307	L	98.1	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.6	175.1	-174.6	64.2	0	0	0	109.9	L128 V261 K266 F268 Q311 L313	L128-L307 HydrophobicContact CD1-CD1 3.52Å; V261-L307 HydrophobicContact CG2-CD2 3.79Å; V261-L307 HydrophobicContact CG2-CG 3.83Å; K266-L307 PolarHBondContact N-O 3.18Å; K266-L307 PolarHBondContact O-N 2.86Å; F268-L307 HydrophobicContact CD2-CB 4.23Å; F268-L307 HydrophobicContact CE2-CB 3.98Å; F268-L307 HydrophobicContact CE2-CD2 3.75Å; F268-L307 HydrophobicContact CZ-CD2 4.38Å; L307-Q311 HydrophobicContact CD1-CB 3.57Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD2-CB 3.74Å; L307-L313 HydrophobicContact CG-CB 4.42Å
308	K	97.6	Very high	97.4	Very high	113 Å²	113	38.1 Å²	38.1	49%	0.491	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	162.4	-176.2	-57.6	-165.4	172.8	-171.3	0	112.4	E265 T306 G310 Q311	E265-K308 HydrophobicContact CG-CG 4.37Å; E265-K308 WeakPolarHBondContact OE2-CE 3.31Å; T306-K308 HydrophobicContact CG2-CG 3.95Å; K308-G310 PolarHBondContact O-N 3.13Å; K308-Q311 HydrophobicContact CB-CG 4.44Å; K308-Q311 VanDerWaalsContact O-CB 3.28Å; K308-Q311 WeakPolarHBondContact O-CB 3.44Å; K308-Q311 WeakPolarHBondContact O-CG 3.33Å; K308-Q311 PolarHBondContact O-N 3.45Å; K308-Q311 VanDerWaalsContact O-N 3.12Å
309	Q	97.4	Very high	97.6	Very high	103 Å²	103	34.9 Å²	34.9	48%	0.481	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	133.5	171.6	179.3	165	-7.3	0	0	113.2	V261 L262 G264 Q311	V261-Q309 HydrophobicContact CG1-CB 4.5Å; V261-Q309 WeakPolarHBondContact O-CA 3.31Å; L262-Q309 VanDerWaalsContact O-CD 3.29Å; L262-Q309 VanDerWaalsContact O-CG 3.29Å; L262-Q309 WeakPolarHBondContact O-CG 3.33Å; L262-Q309 PolarHBondContact O-NE2 2.72Å; G264-Q309 WeakPolarHBondContact O-CB 3.38Å; G264-Q309 PolarHBondContact O-N 3Å; Q309-Q311 VanDerWaalsContact C-N 3.28Å; Q309-Q311 PolarHBondContact O-N 3.11Å
310	G	96.4	Very high	97.7	Very high	30 Å²	30	34.1 Å²	34.1	31%	0.309	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-12.6	-179.7	0	0	0	0	0	115.4	H260 V261 K308	H260-G310 PolarHBondContact CE1-O 2.72Å; V261-G310 PolarHBondContact O-N 3.11Å; K308-G310 PolarHBondContact O-N 3.13Å
311	Q	97.8	Very high	97.8	Very high	37 Å²	37	26.8 Å²	26.8	17%	0.173	13%	0.134	C	C	.	.			trans	-87.2	157.9	178.9	-57	-176.7	-32	0	0	112.1	L128 H260 V261 L307 K308 Q309	L128-Q311 HydrophobicContact CD1-CB 4.33Å; H260-Q311 PolarHBondContact ND1-O 2.94Å; H260-Q311 VanDerWaalsContact ND1-O 3.12Å; V261-Q311 PolarHBondContact N-O 3.21Å; L307-Q311 HydrophobicContact CD1-CB 3.57Å; K308-Q311 HydrophobicContact CB-CG 4.44Å; K308-Q311 VanDerWaalsContact O-CB 3.28Å; K308-Q311 WeakPolarHBondContact O-CB 3.44Å; K308-Q311 WeakPolarHBondContact O-CG 3.33Å; K308-Q311 PolarHBondContact O-N 3.45Å; K308-Q311 VanDerWaalsContact O-N 3.12Å; Q309-Q311 VanDerWaalsContact C-N 3.28Å; Q309-Q311 PolarHBondContact O-N 3.11Å
312	T	98.4	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.6	176	-52	0	0	0	0	110.5	V129 L135 M137 Y259 H260 F314	V129-T312 PolarHBondContact N-O 3Å; V129-T312 PolarHBondContact O-N 3.43Å; L135-T312 HydrophobicContact CD1-CG2 4.19Å; M137-T312 HydrophobicContact CE-CG2 4.37Å; Y259-T312 CarbonylContact O-C 3.58Å; Y259-T312 VanDerWaalsContact O-CA 3.25Å; Y259-T312 WeakPolarHBondContact O-CA 3.5Å; Y259-T312 WeakPolarHBondContact O-CG2 3.43Å; H260-T312 HydrophobicContact CB-CG2 4.47Å; H260-T312 PolarHBondContact ND1-OG1 3.33Å; T312-F314 HydrophobicContact CG2-CD2 4.31Å; T312-F314 HydrophobicContact CG2-CE1 4.48Å; T312-F314 HydrophobicContact CG2-CE2 3.62Å; T312-F314 HydrophobicContact CG2-CZ 3.73Å
313	L	98.6	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.5	172.6	-178.2	65.9	0	0	0	109.8	P126 I127 L128 W258 Y259 F268 L307 V315	P126-L313 HydrophobicContact CB-CD1 4.3Å; I127-L313 CarbonylContact O-C 3.37Å; L128-L313 HydrophobicContact CB-CD1 4.49Å; W258-L313 CarbonylContact C-O 3.57Å; W258-L313 WeakPolarHBondContact CA-O 3.4Å; Y259-L313 PolarHBondContact N-O 3.14Å; Y259-L313 PolarHBondContact O-N 3.02Å; F268-L313 HydrophobicContact CD1-CD2 4.26Å; F268-L313 HydrophobicContact CD2-CD2 3.8Å; F268-L313 HydrophobicContact CE1-CD2 4.38Å; F268-L313 HydrophobicContact CE2-CD2 3.94Å; F268-L313 HydrophobicContact CG-CD2 3.97Å; F268-L313 HydrophobicContact CZ-CD2 4.23Å; L307-L313 HydrophobicContact CD1-CB 3.92Å; L307-L313 HydrophobicContact CD2-CB 3.74Å; L307-L313 HydrophobicContact CG-CB 4.42Å; L313-V315 HydrophobicContact CD2-CG2 3.89Å; L313-V315 HydrophobicContact CG-CG2 4.03Å
314	F	98.5	Very high	97.8	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.3	168.9	-58.1	-97.4	0	0	0	108.9	L113 F123 P126 I127 V129 L135 P209 I211 V212 V257 W258 T312	L113-F314 HydrophobicContact CD2-CD2 3.81Å; L113-F314 HydrophobicContact CD2-CE1 4.33Å; L113-F314 HydrophobicContact CD2-CE2 3.38Å; L113-F314 HydrophobicContact CD2-CG 4.45Å; L113-F314 HydrophobicContact CD2-CZ 3.68Å; F123-F314 HydrophobicContact CE2-CB 4.15Å; F123-F314 HydrophobicContact CZ-CB 3.87Å; P126-F314 CarbonylContact C-O 3.59Å; P126-F314 WeakPolarHBondContact CA-O 3.3Å; I127-F314 HydrophobicContact CB-CB 4.25Å; I127-F314 HydrophobicContact CB-CD2 4.47Å; I127-F314 HydrophobicContact CG2-CD2 4.49Å; I127-F314 PolarHBondContact N-O 3.27Å; I127-F314 PolarHBondContact O-N 2.62Å; V129-F314 HydrophobicContact CG2-CD2 4.43Å; V129-F314 HydrophobicContact CG2-CE2 3.97Å; L135-F314 HydrophobicContact CD1-CE2 4.33Å; L135-F314 HydrophobicContact CD1-CZ 4.25Å; L135-F314 HydrophobicContact CD2-CZ 4.46Å; P209-F314 HydrophobicContact CB-CE1 3.98Å; P209-F314 HydrophobicContact CB-CZ 4.01Å; P209-F314 HydrophobicContact CG-CE1 3.86Å; P209-F314 HydrophobicContact CG-CZ 3.9Å; I211-F314 HydrophobicContact CG2-CE1 4.06Å; I211-F314 HydrophobicContact CG2-CZ 4.37Å; V212-F314 HydrophobicContact CG2-CD1 4.33Å; V212-F314 HydrophobicContact CG2-CE1 3.9Å; V257-F314 CarbonylContact O-C 3.6Å; V257-F314 WeakPolarHBondContact O-CA 3.19Å; W258-F314 HydrophobicContact CB-CD1 3.64Å; W258-F314 HydrophobicContact CB-CE1 3.7Å; T312-F314 HydrophobicContact CG2-CD2 4.31Å; T312-F314 HydrophobicContact CG2-CE1 4.48Å; T312-F314 HydrophobicContact CG2-CE2 3.62Å; T312-F314 HydrophobicContact CG2-CZ 3.73Å
315	V	98.4	Very high	97.8	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.024	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.2	178.3	-177.7	0	0	0	0	108	S256 V257 Y259 L313 W319	S256-V315 CarbonylContact C-O 3.53Å; S256-V315 VanDerWaalsContact CA-O 3.32Å; S256-V315 WeakPolarHBondContact CA-O 3.33Å; V257-V315 PolarHBondContact N-O 3.06Å; V257-V315 PolarHBondContact O-N 3.2Å; Y259-V315 HydrophobicContact CD2-CG2 4.38Å; Y259-V315 HydrophobicContact CE2-CG2 4.36Å; L313-V315 HydrophobicContact CD2-CG2 3.89Å; L313-V315 HydrophobicContact CG-CG2 4.03Å; V315-W319 HydrophobicContact CG1-CB 3.78Å; V315-W319 HydrophobicContact CG1-CG 4.47Å
316	P	98	Very high	97.8	Very high	3 Å²	3	18 Å²	18	2%	0.019	10%	0.097	C	C	.	.			trans	-76.9	159.2	179.5	23.8	-26.8	0	0	0	113.2	F123 E125 S256 G318 W319	F123-P316 HydrophobicContact CD1-CB 4.06Å; F123-P316 HydrophobicContact CD2-CB 3.76Å; F123-P316 HydrophobicContact CD2-CG 4.1Å; F123-P316 HydrophobicContact CE1-CB 3.95Å; F123-P316 HydrophobicContact CE2-CB 3.65Å; F123-P316 HydrophobicContact CE2-CG 3.87Å; F123-P316 HydrophobicContact CG-CB 3.94Å; F123-P316 HydrophobicContact CZ-CB 3.73Å; F123-P316 HydrophobicContact CZ-CG 4.31Å; F123-P316 VanDerWaalsContact O-CB 3.3Å; F123-P316 WeakPolarHBondContact O-CB 3.35Å; E125-P316 WeakPolarHBondContact O-CG 3.5Å; S256-P316 WeakPolarHBondContact OG-CA 3.49Å; P316-G318 PolarHBondContact O-N 3.17Å; P316-W319 VanDerWaalsContact O-CD1 3.3Å; P316-W319 PolarHBondContact O-N 3.1Å
317	S	97.7	Very high	97.8	Very high	5 Å²	5	19 Å²	19	4%	0.035	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-34	130.5	178.2	-63.3	0	0	0	0	115.1	G254 S256 W319 H338 M344	G254-S317 VanDerWaalsContact O-CA 3.26Å; G254-S317 WeakPolarHBondContact O-CA 3.44Å; G254-S317 WeakPolarHBondContact O-CB 3.42Å; G254-S317 PolarHBondContact O-OG 3.23Å; S256-S317 PolarHBondContact OG-N 3.17Å; S256-S317 PolarHBondContact OG-OG 3.29Å; S317-W319 VanDerWaalsContact C-N 3.27Å; S317-W319 PolarHBondContact O-N 3.3Å; S317-H338 PolarHBondContact OG-CE1 3.13Å; S317-M344 VanDerWaalsContact O-CG 3.29Å; S317-M344 WeakPolarHBondContact O-CG 3.32Å
318	G	96.1	Very high	97.7	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-8.7	168.4	0	0	0	0	0	116.1	P273 P316 I320	P273-G318 WeakPolarHBondContact CB-O 3.41Å; P316-G318 PolarHBondContact O-N 3.17Å; G318-I320 PolarHBondContact O-N 2.82Å
319	W	98.1	Very high	97.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.015	9%	0.093	C	C	.	.			trans	-59.4	127.4	176.3	-85.6	71.1	0	0	0	111.2	I104 N124 E125 P126 L270 K272 P273 V315 P316 S317	I104-W319 HydrophobicContact CD1-CH2 3.57Å; I104-W319 HydrophobicContact CD1-CZ3 3.57Å; N124-W319 PolarHBondContact O-NE1 3.11Å; E125-W319 WeakPolarHBondContact OE2-CZ2 3.23Å; P126-W319 HydrophobicContact CG-CD2 4.24Å; P126-W319 HydrophobicContact CG-CE3 4.12Å; P126-W319 HydrophobicContact CG-CH2 4.06Å; P126-W319 HydrophobicContact CG-CZ2 4.18Å; P126-W319 HydrophobicContact CG-CZ3 4.03Å; L270-W319 HydrophobicContact CB-CE3 4.11Å; L270-W319 HydrophobicContact CB-CZ3 4.07Å; K272-W319 HydrophobicContact CB-CH2 3.73Å; K272-W319 HydrophobicContact CB-CZ2 4.06Å; K272-W319 HydrophobicContact CB-CZ3 4.02Å; K272-W319 HydrophobicContact CD-CH2 4.28Å; K272-W319 HydrophobicContact CD-CZ2 4.23Å; K272-W319 HydrophobicContact CG-CH2 3.91Å; K272-W319 HydrophobicContact CG-CZ2 3.76Å; P273-W319 HydrophobicContact CG-CG 4.18Å; V315-W319 HydrophobicContact CG1-CB 3.78Å; V315-W319 HydrophobicContact CG1-CG 4.47Å; P316-W319 VanDerWaalsContact O-CD1 3.3Å; P316-W319 PolarHBondContact O-N 3.1Å; S317-W319 VanDerWaalsContact C-N 3.27Å; S317-W319 PolarHBondContact O-N 3.3Å
320	I	98.2	Very high	97.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125	178.1	-58.2	149.5	0	0	0	106.7	F248 H249 I250 I271 N277 L278 Y281 F295 G318	F248-I320 HydrophobicContact CB-CG2 4.18Å; F248-I320 HydrophobicContact CD1-CG2 4.09Å; H249-I320 WeakPolarHBondContact O-CA 3.3Å; I250-I320 HydrophobicContact CD1-CD1 4.5Å; I250-I320 HydrophobicContact CD1-CG1 3.69Å; I250-I320 HydrophobicContact CG1-CB 4.29Å; I250-I320 HydrophobicContact CG1-CG1 3.5Å; I250-I320 VanDerWaalsContact CG1-CG1 3.5Å; I271-I320 HydrophobicContact CB-CB 4.08Å; I271-I320 HydrophobicContact CG2-CB 4.41Å; I271-I320 HydrophobicContact CG2-CD1 4.2Å; I271-I320 PolarHBondContact N-O 3.14Å; I271-I320 PolarHBondContact O-N 2.85Å; I271-I320 VanDerWaalsContact O-N 3.14Å; N277-I320 HydrophobicContact CB-CD1 4.12Å; L278-I320 HydrophobicContact CD2-CD1 4.36Å; Y281-I320 HydrophobicContact CD2-CG1 4.3Å; Y281-I320 HydrophobicContact CD2-CG2 3.81Å; Y281-I320 HydrophobicContact CE2-CG2 4.26Å; Y281-I320 HydrophobicContact CG-CD1 4.25Å; Y281-I320 HydrophobicContact CG-CG1 4.2Å; Y281-I320 HydrophobicContact CG-CG2 4.5Å; F295-I320 HydrophobicContact CD1-CG2 4.08Å; F295-I320 HydrophobicContact CE1-CD1 4.21Å; F295-I320 HydrophobicContact CE1-CG2 3.8Å; G318-I320 PolarHBondContact O-N 2.82Å
321	N	97.1	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.7	-175.5	88.9	103.9	0	0	0	113.3	F248 H249 F269 L270 V323	F248-N321 CarbonylContact C-O 3.59Å; F248-N321 VanDerWaalsContact CA-O 3.31Å; F248-N321 WeakPolarHBondContact CA-O 3.43Å; H249-N321 PolarHBondContact CE1-ND2 3.05Å; H249-N321 PolarHBondContact CE1-O 3.38Å; H249-N321 VanDerWaalsContact CE1-O 3.3Å; H249-N321 PolarHBondContact N-O 3.41Å; H249-N321 PolarHBondContact ND1-O 3.17Å; H249-N321 PolarHBondContact NE2-ND2 3.18Å; H249-N321 PolarHBondContact O-N 2.84Å; F269-N321 VanDerWaalsContact O-CA 3.29Å; F269-N321 WeakPolarHBondContact O-CA 3.36Å; L270-N321 HydrophobicContact CD2-CB 3.92Å; N321-V323 WeakPolarHBondContact OD1-CG2 3.49Å
322	A	97.6	Very high	97.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.9	164.9	0	0	0	0	0	109.7	Y245 T246 F248 F268 F269	Y245-A322 HydrophobicContact CE2-CB 4.08Å; T246-A322 WeakPolarHBondContact O-CA 3.3Å; T246-A322 WeakPolarHBondContact O-CB 3.4Å; F248-A322 HydrophobicContact CB-CB 4.44Å; F248-A322 HydrophobicContact CD1-CB 3.6Å; F248-A322 HydrophobicContact CD2-CB 3.79Å; F248-A322 HydrophobicContact CE1-CB 3.63Å; F248-A322 HydrophobicContact CE2-CB 3.84Å; F248-A322 HydrophobicContact CG-CB 3.69Å; F248-A322 HydrophobicContact CZ-CB 3.75Å; F268-A322 CarbonylContact C-O 3.41Å; F268-A322 WeakPolarHBondContact CA-O 3.44Å; F269-A322 HydrophobicContact CB-CB 4.33Å; F269-A322 HydrophobicContact CD2-CB 4.45Å; F269-A322 PolarHBondContact N-O 2.83Å; F269-A322 PolarHBondContact O-N 2.82Å; F269-A322 VanDerWaalsContact O-N 3.11Å
323	V	98	Very high	97.8	Very high	8 Å²	8	8.2 Å²	8.2	5%	0.048	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.8	-171.7	-171.2	0	0	0	0	111.1	Y245 T246 K266 I267 F268 N321	Y245-V323 WeakPolarHBondContact CA-O 3.46Å; T246-V323 PolarHBondContact N-O 2.87Å; T246-V323 PolarHBondContact O-N 3.38Å; K266-V323 HydrophobicContact CB-CG1 4.38Å; K266-V323 HydrophobicContact CD-CG1 3.94Å; K266-V323 HydrophobicContact CG-CG1 4.44Å; I267-V323 WeakPolarHBondContact O-CA 3.29Å; F268-V323 HydrophobicContact CD1-CG2 3.66Å; F268-V323 HydrophobicContact CE1-CG1 4.37Å; F268-V323 HydrophobicContact CE1-CG2 3.68Å; F268-V323 HydrophobicContact CG-CG2 4.5Å; F268-V323 HydrophobicContact CZ-CG1 4.49Å; N321-V323 WeakPolarHBondContact OD1-CG2 3.49Å
324	L	98.3	Very high	97.6	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.1	168.4	173.8	65.9	0	0	0	110.2	I90 L93 R94 Y245 I267 F269 P326	I90-L324 HydrophobicContact CD1-CD1 3.94Å; I90-L324 HydrophobicContact CG2-CD1 4.1Å; L93-L324 HydrophobicContact CD2-CB 4.38Å; L93-L324 HydrophobicContact CD2-CD2 4.22Å; L93-L324 HydrophobicContact CG-CD2 4.4Å; R94-L324 HydrophobicContact CG-CD2 3.99Å; Y245-L324 HydrophobicContact CD2-CB 4.39Å; I267-L324 HydrophobicContact CB-CB 4.38Å; I267-L324 PolarHBondContact N-O 2.85Å; I267-L324 PolarHBondContact O-N 3.22Å; F269-L324 HydrophobicContact CE2-CB 3.79Å; L324-P326 WeakPolarHBondContact O-CD 3.35Å
325	T	98.3	Very high	97.5	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.012	5%	0.054	C	C	.	.			trans	-104.3	91.9	176.3	-58.1	0	0	0	0	109.4	C240 V241 D243 S244 V327 C329	C240-T325 HydrophobicContact CB-CG2 3.68Å; V241-T325 VanDerWaalsContact O-CG2 3.29Å; V241-T325 WeakPolarHBondContact O-CG2 3.3Å; D243-T325 PolarHBondContact N-O 2.84Å; S244-T325 WeakPolarHBondContact O-CB 3.48Å; S244-T325 PolarHBondContact O-N 3.29Å; T325-V327 VanDerWaalsContact C-N 3.27Å; T325-V327 WeakPolarHBondContact CG2-O 3.2Å; T325-V327 PolarHBondContact O-N 2.82Å; T325-C329 HydrophobicContact CG2-CB 3.71Å
326	P	97.1	Very high	97.4	Very high	11 Å²	11	9.5 Å²	9.5	7%	0.071	5%	0.054	C	C	.	.	S	Bend	trans	-68.3	-21.3	-171.8	27.2	-38.7	0	0	0	115	R94 E265 I267 L324	R94-P326 PolarHBondContact NH2-O 2.88Å; E265-P326 HydrophobicContact CB-CG 3.97Å; E265-P326 HydrophobicContact CG-CG 3.97Å; E265-P326 WeakPolarHBondContact O-CD 3.42Å; I267-P326 HydrophobicContact CD1-CB 4.02Å; I267-P326 HydrophobicContact CD1-CG 3.89Å; I267-P326 HydrophobicContact CG1-CG 3.98Å; L324-P326 WeakPolarHBondContact O-CD 3.35Å
327	V	97.2	Very high	97.3	Very high	70 Å²	70	9.4 Å²	9.4	42%	0.424	5%	0.053	S	C	.	.	S	Bend	trans	-146.1	159	177.1	-64.1	0	0	0	0	108.8	E265 T325 C329	E265-V327 HydrophobicContact CB-CG2 4.11Å; T325-V327 VanDerWaalsContact C-N 3.27Å; T325-V327 WeakPolarHBondContact CG2-O 3.2Å; T325-V327 PolarHBondContact O-N 2.82Å; V327-C329 PolarHBondContact O-N 2.92Å
328	D	97.4	Very high	97.2	Very high	53 Å²	53	9.1 Å²	9.1	28%	0.283	5%	0.051	S	C	.	.			trans	-46.7	127.5	173.3	-81.5	10	0	0	0	111.9	Y181 R186 V241 K242 G264	Y181-D328 WeakPolarHBondContact OH-CB 3.47Å; R186-D328 IonicContact CZ-OD1 2.69Å; R186-D328 IonicContact CZ-OD2 2.71Å; R186-D328 VanDerWaalsContact NH1-CG 3.31Å; R186-D328 IonicContact NH1-OD1 2.68Å; R186-D328 PolarHBondContact NH1-OD1 3.13Å; R186-D328 IonicContact NH1-OD2 2.63Å; R186-D328 PolarHBondContact NH1-OD2 2.89Å; R186-D328 IonicContact NH2-OD1 3.52Å; R186-D328 IonicContact NH2-OD2 2.66Å; R186-D328 PolarHBondContact NH2-OD2 3.3Å; V241-D328 WeakPolarHBondContact CA-OD1 3.4Å; K242-D328 WeakPolarHBondContact CB-OD1 3.49Å; K242-D328 PolarHBondContact N-OD1 2.86Å; G264-D328 WeakPolarHBondContact CA-O 3.33Å
329	C	97.8	Very high	97.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.1	-166.1	175.1	0	0	0	0	112.2	C240 K263 T325 V327	C240-C329 HydrophobicContact CB-CB 4.36Å; C240-C329 PolarHBondContact N-O 2.92Å; C240-C329 PolarHBondContact O-N 3.03Å; K263-C329 WeakPolarHBondContact O-CA 3.42Å; K263-C329 PolarHBondContact O-SG 3.08Å; T325-C329 HydrophobicContact CG2-CB 3.71Å; V327-C329 PolarHBondContact O-N 2.92Å
330	L	98.1	Very high	97.2	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.016	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.9	165.7	178	61.2	0	0	0	108.3	F144 I146 V149 I239 L262 K263	F144-L330 HydrophobicContact CD1-CD2 4.06Å; F144-L330 HydrophobicContact CE1-CD2 4.34Å; I146-L330 HydrophobicContact CG1-CD1 4.31Å; I146-L330 HydrophobicContact CG1-CD2 4.34Å; V149-L330 HydrophobicContact CG2-CD1 4.36Å; I239-L330 HydrophobicContact CG1-CD1 4.09Å; L262-L330 WeakPolarHBondContact CA-O 3.36Å; L262-L330 WeakPolarHBondContact CB-O 3.35Å; L262-L330 HydrophobicContact CD2-CD2 4.03Å; L262-L330 PolarHBondContact N-O 3.36Å; K263-L330 HydrophobicContact CB-CB 4.32Å; K263-L330 PolarHBondContact N-O 3.12Å; K263-L330 PolarHBondContact O-N 2.94Å
331	A	97.9	Very high	97.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.4	-177.4	0	0	0	0	0	111.4	L238 H260 V261	L238-A331 HydrophobicContact CB-CB 4.22Å; L238-A331 HydrophobicContact CD1-CB 4.28Å; L238-A331 PolarHBondContact N-O 2.84Å; L238-A331 PolarHBondContact O-N 3.29Å; H260-A331 CarbonylContact O-C 3.52Å; H260-A331 VanDerWaalsContact O-CA 3.27Å; H260-A331 WeakPolarHBondContact O-CA 3.46Å; H260-A331 WeakPolarHBondContact O-CB 3.43Å; V261-A331 HydrophobicContact CG2-CB 4.3Å
332	F	98.1	Very high	97.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.9	174.2	-64.6	-74.1	0	0	0	110.1	M139 P140 F144 F197 M202 V206 Y236 C237 W258 H260 L262	M139-F332 HydrophobicContact CE-CB 3.86Å; M139-F332 HydrophobicContact CE-CD2 4.28Å; M139-F332 HydrophobicContact CE-CG 4.35Å; M139-F332 HydrophobicContact SD-CB 4.16Å; M139-F332 HydrophobicContact SD-CD2 3.44Å; M139-F332 WeakPolarHBondContact SD-CD2 3.37Å; M139-F332 HydrophobicContact SD-CE2 4.12Å; M139-F332 HydrophobicContact SD-CG 4.04Å; P140-F332 HydrophobicContact CG-CE2 3.74Å; P140-F332 HydrophobicContact CG-CZ 4.01Å; F144-F332 HydrophobicContact CE1-CZ 4.1Å; F197-F332 AromaticContact CE1-CD1 3.77Å; F197-F332 HydrophobicContact CE1-CD1 3.77Å; F197-F332 HydrophobicContact CE1-CE1 4.07Å; F197-F332 AromaticContact CZ-CD1 3.87Å; F197-F332 HydrophobicContact CZ-CD1 3.87Å; F197-F332 HydrophobicContact CZ-CE1 4.06Å; M202-F332 HydrophobicContact CE-CE1 4.26Å; M202-F332 HydrophobicContact SD-CE1 4.34Å; V206-F332 HydrophobicContact CG1-CD1 4.44Å; V206-F332 HydrophobicContact CG1-CG 4.35Å; V206-F332 HydrophobicContact CG2-CD1 3.99Å; V206-F332 HydrophobicContact CG2-CD2 4.29Å; V206-F332 HydrophobicContact CG2-CE1 3.74Å; V206-F332 HydrophobicContact CG2-CE2 4.04Å; V206-F332 HydrophobicContact CG2-CG 4.25Å; V206-F332 HydrophobicContact CG2-CZ 3.76Å; Y236-F332 WeakPolarHBondContact O-CA 3.31Å; C237-F332 HydrophobicContact CB-CD1 4.23Å; C237-F332 HydrophobicContact CB-CE1 4.07Å; W258-F332 HydrophobicContact CH2-CB 4Å; W258-F332 HydrophobicContact CZ3-CB 4.12Å; H260-F332 PolarHBondContact N-O 3.12Å; H260-F332 PolarHBondContact O-N 2.97Å; L262-F332 HydrophobicContact CB-CE2 4.39Å; L262-F332 HydrophobicContact CD2-CE2 4.21Å
333	S	96.9	Very high	97.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	175.9	175.7	59.3	0	0	0	0	112.7	Y236 W258 Y259	Y236-S333 PolarHBondContact N-O 3.39Å; Y236-S333 PolarHBondContact O-N 3.03Å; W258-S333 VanDerWaalsContact CZ2-C 3.48Å; W258-S333 WeakPolarHBondContact CZ2-O 3.46Å; W258-S333 WeakPolarHBondContact O-CA 3.49Å; W258-S333 WeakPolarHBondContact O-CB 3.31Å; Y259-S333 VanDerWaalsContact CD1-CB 3.47Å
334	G	95.4	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	142	172.2	0	0	0	0	0	111.9	W258	W258-G334 PolarHBondContact N-O 3.21Å; W258-G334 VanDerWaalsContact N-O 3.15Å; W258-G334 VanDerWaalsContact NE1-CA 3.34Å; W258-G334 PolarHBondContact NE1-O 3.18Å; W258-G334 PolarHBondContact O-N 2.94Å
335	H	95	Very high	97	Very high	32 Å²	32	16.6 Å²	16.6	15%	0.148	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.4	-172.1	-49.9	175.1	0	0	0	109.2	V233 Y236 E251 A255 S256 V257	V233-H335 HydrophobicContact CB-CB 4.31Å; V233-H335 PolarHBondContact O-N 3.44Å; Y236-H335 AromaticContact CD2-NE2 3.84Å; Y236-H335 AromaticContact CE2-CD2 3.97Å; Y236-H335 AromaticContact CE2-CE1 3.73Å; Y236-H335 AromaticContact CE2-CG 3.93Å; Y236-H335 AromaticContact CE2-ND1 3.77Å; Y236-H335 AromaticContact CE2-NE2 3.82Å; E251-H335 IonicContact OE2-CE1 2.72Å; E251-H335 PolarHBondContact OE2-CE1 3.01Å; E251-H335 IonicContact OE2-ND1 2.66Å; E251-H335 IonicContact OE2-NE2 2.69Å; A255-H335 HydrophobicContact CB-CB 3.99Å; S256-H335 CarbonylContact O-C 3.58Å; S256-H335 WeakPolarHBondContact O-CA 3.32Å; V257-H335 HydrophobicContact CG2-CB 4.13Å; V257-H335 WeakPolarHBondContact CG2-CD2 3.49Å
336	F	96.1	Very high	96.8	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.013	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	129.5	-176.9	64.3	-70.6	0	0	0	112.5	F123 V212 L215 S256 H338	F123-F336 HydrophobicContact CE1-CE2 4.41Å; F123-F336 AromaticContact CE1-CZ 3.97Å; F123-F336 HydrophobicContact CE1-CZ 3.97Å; V212-F336 HydrophobicContact CB-CD1 4.49Å; V212-F336 HydrophobicContact CG1-CB 4.03Å; V212-F336 HydrophobicContact CG1-CD1 3.72Å; V212-F336 HydrophobicContact CG1-CD2 4.14Å; V212-F336 HydrophobicContact CG1-CE1 4.19Å; V212-F336 HydrophobicContact CG1-CG 3.72Å; V212-F336 HydrophobicContact CG2-CD1 4.17Å; V212-F336 HydrophobicContact CG2-CE1 3.76Å; V212-F336 HydrophobicContact CG2-CE2 4.25Å; V212-F336 HydrophobicContact CG2-CZ 3.81Å; L215-F336 HydrophobicContact CB-CD2 4.25Å; L215-F336 HydrophobicContact CB-CE2 4.26Å; L215-F336 HydrophobicContact CD1-CE2 4.26Å; S256-F336 PolarHBondContact N-O 3.06Å; S256-F336 WeakPolarHBondContact O-CD1 3.08Å; S256-F336 WeakPolarHBondContact O-CE1 3.29Å; S256-F336 PolarHBondContact O-N 3.4Å; F336-H338 AromaticContact CD2-CD2 3.95Å; F336-H338 AromaticContact CE2-CD2 3.68Å
337	V	96.4	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.			trans	-96.3	141.5	172.1	-76.2	0	0	0	0	109.6	S216 W217 A255 Q345 F363 F366	S216-V337 WeakPolarHBondContact CA-O 3.33Å; W217-V337 HydrophobicContact CB-CG2 4.08Å; W217-V337 HydrophobicContact CD2-CB 4.09Å; W217-V337 HydrophobicContact CD2-CG2 3.99Å; W217-V337 HydrophobicContact CE3-CB 3.7Å; W217-V337 HydrophobicContact CE3-CG2 3.54Å; W217-V337 HydrophobicContact CG-CG2 4.22Å; W217-V337 VanDerWaalsContact CG-O 3.3Å; W217-V337 HydrophobicContact CZ3-CB 4.2Å; W217-V337 HydrophobicContact CZ3-CG2 4.39Å; W217-V337 PolarHBondContact N-O 3.22Å; A255-V337 HydrophobicContact CB-CG1 4.14Å; V337-Q345 HydrophobicContact CG1-CG 4.31Å; V337-F363 HydrophobicContact CG1-CD2 4.45Å; V337-F363 HydrophobicContact CG1-CE2 4.03Å; V337-F363 HydrophobicContact CG1-CZ 4.34Å; V337-F363 HydrophobicContact CG2-CE1 4.36Å; V337-F363 HydrophobicContact CG2-CE2 4.19Å; V337-F363 HydrophobicContact CG2-CZ 3.73Å; V337-F366 HydrophobicContact CG1-CE2 4.11Å
338	H	96.9	Very high	96.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.			trans	-152.1	167.9	-165.5	60.6	14.9	0	0	0	115	F123 L215 S256 S317 F336 L340 Q345	F123-H338 AromaticContact CD1-NE2 3.35Å; F123-H338 WeakPolarHBondContact CD1-NE2 3.45Å; F123-H338 AromaticContact CE1-NE2 3.76Å; L215-H338 HydrophobicContact CB-CB 3.99Å; L215-H338 WeakPolarHBondContact O-CB 3.35Å; S256-H338 PolarHBondContact OG-CE1 3.48Å; S256-H338 VanDerWaalsContact OG-CE1 3.3Å; S256-H338 PolarHBondContact OG-NE2 2.68Å; S317-H338 PolarHBondContact OG-CE1 3.13Å; F336-H338 AromaticContact CD2-CD2 3.95Å; F336-H338 AromaticContact CE2-CD2 3.68Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 2.75Å; H338-Q345 PolarHBondContact ND1-OE1 3.03Å; H338-Q345 PolarHBondContact O-OE1 2.99Å
339	N	96.8	Very high	96.4	Very high	17 Å²	17	16.2 Å²	16.2	9%	0.091	8%	0.076	C	C	.	.	S	Bend	trans	-74.9	-12.2	-174.1	-62.2	-45.8	0	0	0	115.4	W217 Y221 V342 Y394 L395	W217-N339 PolarHBondContact NE1-OD1 3.16Å; Y221-N339 PolarHBondContact OH-ND2 2.88Å; Y221-N339 VanDerWaalsContact OH-ND2 3.09Å; N339-V342 WeakPolarHBondContact O-CG2 3.46Å; N339-Y394 HydrophobicContact CB-CE2 4.03Å; N339-Y394 VanDerWaalsContact O-CD2 3.28Å; N339-Y394 WeakPolarHBondContact O-CD2 3.22Å; N339-Y394 WeakPolarHBondContact O-CE2 3.26Å; N339-L395 HydrophobicContact CB-CD2 3.81Å
340	L	96.9	Very high	96.1	Very high	30 Å²	30	21.1 Å²	21.1	16%	0.157	10%	0.099	C	C	.	.	S	Bend	trans	-75.5	-44	-173.7	-62.3	174.2	0	0	0	112.3	L118 E119 F123 L215 H338 Y394	L118-L340 HydrophobicContact CB-CD1 3.85Å; L118-L340 HydrophobicContact CD1-CD1 4.48Å; E119-L340 HydrophobicContact CG-CD2 4.41Å; F123-L340 HydrophobicContact CB-CD1 3.86Å; L215-L340 HydrophobicContact CD1-CD1 4.17Å; L215-L340 HydrophobicContact CD2-CD1 4.13Å; L215-L340 HydrophobicContact CD2-CG 4.39Å; H338-L340 VanDerWaalsContact C-N 3.32Å; H338-L340 PolarHBondContact O-N 2.75Å; L340-Y394 HydrophobicContact CD2-CD2 4.25Å; L340-Y394 HydrophobicContact CD2-CE1 4.44Å; L340-Y394 HydrophobicContact CD2-CE2 3.87Å
341	S	96.1	Very high	95.8	Very high	12 Å²	12	21.5 Å²	21.5	8%	0.084	10%	0.101	C	C	.	.	S	Bend	trans	-121.1	32.9	-167.8	-44	0	0	0	0	113.2	F123 E343 M344 Q345	F123-S341 PolarHBondContact O-OG 2.89Å; S341-E343 PolarHBondContact O-N 2.98Å; S341-E343 VanDerWaalsContact O-N 3.08Å; S341-M344 WeakPolarHBondContact O-CB 3.31Å; S341-M344 PolarHBondContact O-N 3.49Å; S341-Q345 PolarHBondContact O-N 3.38Å; S341-Q345 VanDerWaalsContact O-N 3.13Å
342	V	97.4	Very high	95.3	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.036	11%	0.107	C	C	.	.	H	α-helix	trans	-48.7	-38.6	-177.2	-175.8	0	0	0	0	113.3	W217 N339 M344 Q345 M346 I402	W217-V342 HydrophobicContact CH2-CG1 4.4Å; W217-V342 HydrophobicContact CZ2-CG2 3.97Å; N339-V342 WeakPolarHBondContact O-CG2 3.46Å; V342-M344 VanDerWaalsContact C-N 3.31Å; V342-M344 PolarHBondContact O-N 2.81Å; V342-Q345 PolarHBondContact O-N 3.46Å; V342-M346 HydrophobicContact CG1-CG 4.37Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.4Å; V342-M346 PolarHBondContact O-N 3.36Å; V342-I402 HydrophobicContact CG1-CD1 3.81Å; V342-I402 HydrophobicContact CG1-CG1 3.75Å
343	E	96.2	Very high	94.8	Very high	79 Å²	79	26.8 Å²	26.8	37%	0.369	12%	0.124	S	C	.	.	H	α-helix	trans	-62.9	-37.1	178.2	-162.2	-167.8	107.1	0	0	112.8	S341 R347 H397 I401	S341-E343 PolarHBondContact O-N 2.98Å; S341-E343 VanDerWaalsContact O-N 3.08Å; E343-R347 WeakPolarHBondContact O-CB 3.49Å; E343-R347 WeakPolarHBondContact O-CG 3.21Å; E343-R347 PolarHBondContact O-N 2.99Å; E343-R347 VanDerWaalsContact O-N 3.1Å; E343-R347 IonicContact OE1-CZ 3.02Å; E343-R347 IonicContact OE1-NE 3.34Å; E343-R347 PolarHBondContact OE1-NE 3.39Å; E343-R347 IonicContact OE1-NH2 3.83Å; E343-R347 PolarHBondContact OE1-NH2 3.24Å; E343-H397 IonicContact OE2-CD2 3.37Å; E343-H397 IonicContact OE2-CE1 2.73Å; E343-H397 IonicContact OE2-NE2 2.66Å; E343-H397 PolarHBondContact OE2-NE2 3.19Å; E343-I401 HydrophobicContact CB-CD1 3.58Å; E343-I401 HydrophobicContact CG-CD1 3.76Å
344	M	97	Very high	94.5	Very high	28 Å²	28	32.7 Å²	32.7	14%	0.138	15%	0.146	C	C	.	.	H	α-helix	trans	-77.3	-41.1	179.3	-168.1	64.3	77.8	0	0	111.4	P273 L278 S317 S341 V342 M346 R347 A348	P273-M344 HydrophobicContact CB-CE 3.76Å; P273-M344 HydrophobicContact CB-SD 4.05Å; P273-M344 HydrophobicContact CG-CE 3.74Å; P273-M344 HydrophobicContact CG-SD 4.46Å; L278-M344 HydrophobicContact CD1-SD 4.01Å; S317-M344 VanDerWaalsContact O-CG 3.29Å; S317-M344 WeakPolarHBondContact O-CG 3.32Å; S341-M344 WeakPolarHBondContact O-CB 3.31Å; S341-M344 PolarHBondContact O-N 3.49Å; V342-M344 VanDerWaalsContact C-N 3.31Å; V342-M344 PolarHBondContact O-N 2.81Å; M344-M346 PolarHBondContact O-N 3.31Å; M344-R347 PolarHBondContact O-N 3.46Å; M344-R347 PolarHBondContact SD-NH1 3.48Å; M344-A348 WeakPolarHBondContact O-CB 3.45Å; M344-A348 PolarHBondContact O-N 3.14Å
345	Q	96.9	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.3	-50.6	172.6	-75.6	165.8	-140.9	0	0	111.3	G253 G254 V337 H338 S341 V342 R347 A348 Y349 F366	G253-Q345 WeakPolarHBondContact O-CA 3.42Å; G254-Q345 VanDerWaalsContact O-CG 3.31Å; G254-Q345 WeakPolarHBondContact O-CG 3.47Å; V337-Q345 HydrophobicContact CG1-CG 4.31Å; H338-Q345 PolarHBondContact ND1-OE1 3.03Å; H338-Q345 PolarHBondContact O-OE1 2.99Å; S341-Q345 PolarHBondContact O-N 3.38Å; S341-Q345 VanDerWaalsContact O-N 3.13Å; V342-Q345 PolarHBondContact O-N 3.46Å; Q345-R347 PolarHBondContact O-N 3.27Å; Q345-A348 PolarHBondContact O-N 3.42Å; Q345-Y349 WeakPolarHBondContact O-CB 3.37Å; Q345-Y349 PolarHBondContact O-N 2.99Å; Q345-F366 HydrophobicContact CB-CZ 4.49Å
346	M	95.7	Very high	92.9	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-40.4	177.5	-67.6	-60.8	-44.9	0	0	112.6	V342 M344 Y349 E350 F366 I401 A405 W409	V342-M346 HydrophobicContact CG1-CG 4.37Å; V342-M346 VanDerWaalsContact O-CG 3.29Å; V342-M346 WeakPolarHBondContact O-CG 3.4Å; V342-M346 PolarHBondContact O-N 3.36Å; M344-M346 PolarHBondContact O-N 3.31Å; M346-Y349 PolarHBondContact O-N 2.94Å; M346-E350 WeakPolarHBondContact O-CB 3.15Å; M346-E350 WeakPolarHBondContact O-CG 3.47Å; M346-E350 PolarHBondContact O-N 2.95Å; M346-F366 HydrophobicContact SD-CE1 3.96Å; M346-F366 HydrophobicContact SD-CZ 4.21Å; M346-I401 HydrophobicContact CB-CG2 4.21Å; M346-I401 HydrophobicContact CG-CG2 3.8Å; M346-A405 HydrophobicContact CE-CB 3.67Å; M346-W409 HydrophobicContact CE-CH2 4.27Å; M346-W409 HydrophobicContact CE-CZ2 3.81Å
347	R	95.3	Very high	91.3	Very high	84 Å²	84	42.5 Å²	42.5	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-65.6	-36.7	176.4	-80	-168.3	-83.8	119.1	-12.3	112.9	E343 M344 Q345 I351	E343-R347 WeakPolarHBondContact O-CB 3.49Å; E343-R347 WeakPolarHBondContact O-CG 3.21Å; E343-R347 PolarHBondContact O-N 2.99Å; E343-R347 VanDerWaalsContact O-N 3.1Å; E343-R347 IonicContact OE1-CZ 3.02Å; E343-R347 IonicContact OE1-NE 3.34Å; E343-R347 PolarHBondContact OE1-NE 3.39Å; E343-R347 IonicContact OE1-NH2 3.83Å; E343-R347 PolarHBondContact OE1-NH2 3.24Å; M344-R347 PolarHBondContact O-N 3.46Å; M344-R347 PolarHBondContact SD-NH1 3.48Å; Q345-R347 PolarHBondContact O-N 3.27Å; R347-I351 WeakPolarHBondContact O-CD1 3.33Å; R347-I351 VanDerWaalsContact O-CG1 3.31Å; R347-I351 WeakPolarHBondContact O-CG1 3.27Å; R347-I351 PolarHBondContact O-N 3.22Å
348	A	93.6	Very high	89.3	Confident	6 Å²	6	52.7 Å²	52.7	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-46.1	175.5	0	0	0	0	0	111.6	I250 M344 Q345 E350 I351 E352	I250-A348 HydrophobicContact CG2-CB 4.12Å; M344-A348 WeakPolarHBondContact O-CB 3.45Å; M344-A348 PolarHBondContact O-N 3.14Å; Q345-A348 PolarHBondContact O-N 3.42Å; A348-E350 VanDerWaalsContact C-N 3.29Å; A348-E350 PolarHBondContact O-N 3.17Å; A348-I351 WeakPolarHBondContact O-CA 3.35Å; A348-I351 WeakPolarHBondContact O-CB 3.49Å; A348-I351 PolarHBondContact O-N 2.89Å; A348-E352 WeakPolarHBondContact O-CB 3.31Å; A348-E352 PolarHBondContact O-N 2.98Å
349	Y	92.8	Very high	86.9	Confident	30 Å²	30	56.9 Å²	56.9	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-40.1	173.8	177.9	-105.7	0	0	0	112.5	Q345 M346 I351 E352 K353 F366 E367 W409	Q345-Y349 WeakPolarHBondContact O-CB 3.37Å; Q345-Y349 PolarHBondContact O-N 2.99Å; M346-Y349 PolarHBondContact O-N 2.94Å; Y349-I351 VanDerWaalsContact C-N 3.32Å; Y349-I351 PolarHBondContact O-N 2.71Å; Y349-E352 PolarHBondContact O-N 3.33Å; Y349-K353 PolarHBondContact O-N 2.87Å; Y349-F366 AromaticContact CD1-CD1 3.94Å; Y349-F366 HydrophobicContact CD1-CD1 3.94Å; Y349-F366 AromaticContact CD1-CE1 3.8Å; Y349-F366 HydrophobicContact CD1-CE1 3.8Å; Y349-F366 HydrophobicContact CD2-CB 4.36Å; Y349-F366 AromaticContact CD2-CD1 3.47Å; Y349-F366 HydrophobicContact CD2-CD1 3.47Å; Y349-F366 VanDerWaalsContact CD2-CD1 3.47Å; Y349-F366 AromaticContact CD2-CE1 3.86Å; Y349-F366 HydrophobicContact CD2-CE1 3.86Å; Y349-F366 AromaticContact CD2-CG 3.94Å; Y349-F366 HydrophobicContact CD2-CG 3.94Å; Y349-F366 HydrophobicContact CE1-CD1 4.19Å; Y349-F366 HydrophobicContact CE1-CE1 4.44Å; Y349-F366 HydrophobicContact CE2-CB 4.21Å; Y349-F366 AromaticContact CE2-CD1 3.75Å; Y349-F366 HydrophobicContact CE2-CD1 3.75Å; Y349-F366 HydrophobicContact CE2-CE1 4.49Å; Y349-F366 HydrophobicContact CE2-CG 4.21Å; Y349-F366 AromaticContact CG-CD1 3.58Å; Y349-F366 HydrophobicContact CG-CD1 3.58Å; Y349-F366 AromaticContact CG-CE1 3.48Å; Y349-F366 HydrophobicContact CG-CE1 3.48Å; Y349-F366 VanDerWaalsContact CG-CE1 3.48Å; Y349-F366 HydrophobicContact CG-CG 4.41Å; Y349-F366 HydrophobicContact CG-CZ 4.23Å; Y349-E367 HydrophobicContact CE1-CG 4.17Å; Y349-E367 WeakPolarHBondContact CE1-OE1 3.37Å; Y349-E367 PolarHBondContact OH-OE1 2.69Å; Y349-W409 HydrophobicContact CE1-CZ2 4.39Å
350	E	92	Very high	84.9	Confident	104 Å²	104	57.9 Å²	57.9	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-31.2	173.8	-77	-179.6	-171.8	0	0	113.3	M346 A348 R354	M346-E350 WeakPolarHBondContact O-CB 3.15Å; M346-E350 WeakPolarHBondContact O-CG 3.47Å; M346-E350 PolarHBondContact O-N 2.95Å; A348-E350 VanDerWaalsContact C-N 3.29Å; A348-E350 PolarHBondContact O-N 3.17Å; E350-R354 VanDerWaalsContact C-NH1 3.29Å; E350-R354 WeakPolarHBondContact O-CG 3.15Å; E350-R354 PolarHBondContact O-N 2.61Å; E350-R354 PolarHBondContact O-NH1 3.23Å
351	I	91.6	Very high	83.3	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-72.4	-46.8	173.4	-68.7	161.3	0	0	0	110.1	L278 Y281 E282 R347 A348 Y349 K353 R354 L355	L278-I351 HydrophobicContact CB-CD1 4.24Å; L278-I351 HydrophobicContact CD2-CD1 4.2Å; Y281-I351 HydrophobicContact CE1-CG2 4.45Å; E282-I351 HydrophobicContact CB-CG2 4.32Å; E282-I351 HydrophobicContact CG-CG2 4.25Å; R347-I351 WeakPolarHBondContact O-CD1 3.33Å; R347-I351 VanDerWaalsContact O-CG1 3.31Å; R347-I351 WeakPolarHBondContact O-CG1 3.27Å; R347-I351 PolarHBondContact O-N 3.22Å; A348-I351 WeakPolarHBondContact O-CA 3.35Å; A348-I351 WeakPolarHBondContact O-CB 3.49Å; A348-I351 PolarHBondContact O-N 2.89Å; Y349-I351 VanDerWaalsContact C-N 3.32Å; Y349-I351 PolarHBondContact O-N 2.71Å; I351-K353 PolarHBondContact O-N 3.17Å; I351-R354 PolarHBondContact O-N 2.84Å; I351-L355 HydrophobicContact CG2-CD1 3.65Å; I351-L355 HydrophobicContact CG2-CG 4.17Å; I351-L355 WeakPolarHBondContact O-CG 3.48Å; I351-L355 PolarHBondContact O-N 2.89Å
352	E	88.9	Confident	82.3	Confident	28 Å²	28	64.5 Å²	64.5	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-54	-50.7	177.4	-173.4	-179.8	156	0	0	111.6	C252 G253 A348 Y349 R354 L355 K356 P362 F363	C252-E352 WeakPolarHBondContact CA-OE2 3.42Å; G253-E352 PolarHBondContact N-OE2 3.34Å; A348-E352 WeakPolarHBondContact O-CB 3.31Å; A348-E352 PolarHBondContact O-N 2.98Å; Y349-E352 PolarHBondContact O-N 3.33Å; E352-R354 VanDerWaalsContact C-N 3.27Å; E352-R354 PolarHBondContact O-N 2.96Å; E352-L355 PolarHBondContact O-N 2.89Å; E352-K356 PolarHBondContact O-N 3.04Å; E352-P362 VanDerWaalsContact OE1-CA 3.31Å; E352-P362 WeakPolarHBondContact OE1-CA 3.32Å; E352-P362 WeakPolarHBondContact OE1-CB 3.29Å; E352-F363 PolarHBondContact OE1-N 3.45Å
353	K	87.1	Confident	81.6	Confident	83 Å²	83	64.8 Å²	64.8	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-25.9	176.9	-175.1	165.3	177.8	171.1	0	113.5	Y349 I351 E417 H418	Y349-K353 PolarHBondContact O-N 2.87Å; I351-K353 PolarHBondContact O-N 3.17Å; K353-E417 VanDerWaalsContact CE-OE2 3.26Å; K353-E417 WeakPolarHBondContact CE-OE2 3.36Å; K353-E417 IonicContact NZ-OE2 3.94Å; K353-E417 PolarHBondContact NZ-OE2 2.82Å; K353-H418 PolarHBondContact NZ-CE1 2.63Å; K353-H418 PolarHBondContact NZ-NE2 2.93Å
354	R	89.8	Confident	81.2	Confident	126 Å²	126	63.4 Å²	63.4	48%	0.475	31%	0.309	S	S	.	.	H	α-helix	trans	-80.8	-38.9	174.8	-74.1	-169.4	-51.7	-91.2	10.4	113.1	E282 E350 I351 E352 K356	E282-R354 VanDerWaalsContact CD-NH2 3.28Å; E282-R354 IonicContact OE1-CZ 3.63Å; E282-R354 VanDerWaalsContact OE1-CZ 3.31Å; E282-R354 IonicContact OE1-NE 3.74Å; E282-R354 PolarHBondContact OE1-NE 3.47Å; E282-R354 IonicContact OE1-NH2 2.84Å; E282-R354 PolarHBondContact OE1-NH2 3.5Å; E282-R354 VanDerWaalsContact OE1-NH2 3.09Å; E282-R354 IonicContact OE2-CZ 3.13Å; E282-R354 IonicContact OE2-NE 2.7Å; E282-R354 IonicContact OE2-NH2 3.79Å; E282-R354 PolarHBondContact OE2-NH2 2.8Å; E350-R354 VanDerWaalsContact C-NH1 3.29Å; E350-R354 WeakPolarHBondContact O-CG 3.15Å; E350-R354 PolarHBondContact O-N 2.61Å; E350-R354 PolarHBondContact O-NH1 3.23Å; I351-R354 PolarHBondContact O-N 2.84Å; E352-R354 VanDerWaalsContact C-N 3.27Å; E352-R354 PolarHBondContact O-N 2.96Å; R354-K356 VanDerWaalsContact C-N 3.32Å; R354-K356 PolarHBondContact O-N 3.07Å
355	L	85.8	Confident	80.9	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-73.1	-21.1	-178.3	-70.2	173.6	0	0	0	113.5	Y281 E282 R285 I351 E352 V357	Y281-L355 HydrophobicContact CE1-CD1 4.28Å; E282-L355 HydrophobicContact CG-CD2 4.02Å; E282-L355 HydrophobicContact CG-CG 4.38Å; E282-L355 WeakPolarHBondContact O-CD2 3.24Å; R285-L355 HydrophobicContact CB-CD1 4.21Å; R285-L355 HydrophobicContact CB-CD2 4.45Å; R285-L355 HydrophobicContact CG-CD1 4.08Å; I351-L355 HydrophobicContact CG2-CD1 3.65Å; I351-L355 HydrophobicContact CG2-CG 4.17Å; I351-L355 WeakPolarHBondContact O-CG 3.48Å; I351-L355 PolarHBondContact O-N 2.89Å; E352-L355 PolarHBondContact O-N 2.89Å; L355-V357 HydrophobicContact CB-CG2 3.52Å; L355-V357 PolarHBondContact O-N 3.44Å; L355-V357 VanDerWaalsContact O-N 3.1Å
356	K	72.7	Confident	80.6	Confident	178 Å²	178	64.1 Å²	64.1	77%	0.774	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	35.4	175.8	-60.7	-175.7	177.3	-175.6	0	114.1	E352 R354 K358	E352-K356 PolarHBondContact O-N 3.04Å; R354-K356 VanDerWaalsContact C-N 3.32Å; R354-K356 PolarHBondContact O-N 3.07Å; K356-K358 PolarHBondContact O-N 3.37Å; K356-K358 VanDerWaalsContact O-N 3.12Å
357	V	61.6	Low	80.5	Confident	30 Å²	30	63.8 Å²	63.8	18%	0.182	31%	0.311	C	S	.	.			trans	-72	108.3	-168.1	-168.1	0	0	0	0	110.8	L355 T359 L360	L355-V357 HydrophobicContact CB-CG2 3.52Å; L355-V357 PolarHBondContact O-N 3.44Å; L355-V357 VanDerWaalsContact O-N 3.1Å; V357-T359 WeakPolarHBondContact CG1-OG1 3.47Å; V357-T359 PolarHBondContact O-N 3.33Å; V357-T359 VanDerWaalsContact O-N 3.11Å; V357-L360 HydrophobicContact CB-CB 4.2Å; V357-L360 HydrophobicContact CB-CD1 3.9Å; V357-L360 HydrophobicContact CB-CG 3.87Å; V357-L360 HydrophobicContact CG1-CB 4.47Å; V357-L360 HydrophobicContact CG1-CD1 4.33Å; V357-L360 HydrophobicContact CG1-CG 3.91Å; V357-L360 HydrophobicContact CG2-CD1 3.95Å; V357-L360 HydrophobicContact CG2-CG 4.43Å; V357-L360 PolarHBondContact O-N 3.15Å; V357-L360 VanDerWaalsContact O-N 3.12Å
358	K	53.8	Low	80.5	Confident	214 Å²	214	59.8 Å²	59.8	93%	0.93	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25	178.1	-68.9	-175.1	177.9	-179.1	0	114	K356	K356-K358 PolarHBondContact O-N 3.37Å; K356-K358 VanDerWaalsContact O-N 3.12Å
359	T	47.7	Very low	80.5	Confident	89 Å²	89	59.6 Å²	59.6	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	3.9	-178.8	51.2	0	0	0	0	114.5	V357	V357-T359 WeakPolarHBondContact CG1-OG1 3.47Å; V357-T359 PolarHBondContact O-N 3.33Å; V357-T359 VanDerWaalsContact O-N 3.11Å
360	L	55	Low	80.7	Confident	38 Å²	38	58.2 Å²	58.2	20%	0.199	29%	0.29	C	S	.	.	S	Bend	trans	-95.5	122.5	165	-69.2	178.3	0	0	0	108.6	V357 P362	V357-L360 HydrophobicContact CB-CB 4.2Å; V357-L360 HydrophobicContact CB-CD1 3.9Å; V357-L360 HydrophobicContact CB-CG 3.87Å; V357-L360 HydrophobicContact CG1-CB 4.47Å; V357-L360 HydrophobicContact CG1-CD1 4.33Å; V357-L360 HydrophobicContact CG1-CG 3.91Å; V357-L360 HydrophobicContact CG2-CD1 3.95Å; V357-L360 HydrophobicContact CG2-CG 4.43Å; V357-L360 PolarHBondContact O-N 3.15Å; V357-L360 VanDerWaalsContact O-N 3.12Å; L360-P362 WeakPolarHBondContact O-CD 3.33Å
361	T	63.1	Low	80.9	Confident	93 Å²	93	53.4 Å²	53.4	57%	0.571	27%	0.267	S	S	*	.			trans	-69.8	107.5	164.4	39.4	0	0	0	0	107.7	C252	C252-T361 PolarHBondContact SG-O 3.43Å
362	P	74.8	Confident	81	Confident	87 Å²	87	53.8 Å²	53.8	57%	0.565	27%	0.268	S	S	*	.			trans	-67.9	155.9	-172.2	30.2	-36	0	0	0	110.3	E352 L360 P364	E352-P362 VanDerWaalsContact OE1-CA 3.31Å; E352-P362 WeakPolarHBondContact OE1-CA 3.32Å; E352-P362 WeakPolarHBondContact OE1-CB 3.29Å; L360-P362 WeakPolarHBondContact O-CD 3.33Å; P362-P364 WeakPolarHBondContact O-CD 3.25Å
363	F	82.8	Confident	81.4	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.053	26%	0.262	C	S	.	.			trans	-61.7	114.7	177.7	-171.3	-73.7	0	0	0	109.4	V218 P231 V233 C252 A255 V337 E352 N365 F366	V218-F363 HydrophobicContact CG2-CE1 4.48Å; V218-F363 HydrophobicContact CG2-CZ 4.06Å; P231-F363 HydrophobicContact CB-CE1 4.28Å; V233-F363 HydrophobicContact CG1-CE2 4.38Å; V233-F363 HydrophobicContact CG2-CE2 3.94Å; V233-F363 HydrophobicContact CG2-CZ 3.97Å; C252-F363 HydrophobicContact CB-CB 4.21Å; A255-F363 HydrophobicContact CB-CD2 4.42Å; A255-F363 HydrophobicContact CB-CE2 4.4Å; V337-F363 HydrophobicContact CG1-CD2 4.45Å; V337-F363 HydrophobicContact CG1-CE2 4.03Å; V337-F363 HydrophobicContact CG1-CZ 4.34Å; V337-F363 HydrophobicContact CG2-CE1 4.36Å; V337-F363 HydrophobicContact CG2-CE2 4.19Å; V337-F363 HydrophobicContact CG2-CZ 3.73Å; E352-F363 PolarHBondContact OE1-N 3.45Å; F363-N365 PolarHBondContact O-N 3.42Å; F363-F366 HydrophobicContact CB-CB 4.3Å; F363-F366 HydrophobicContact CB-CD2 4.28Å; F363-F366 HydrophobicContact CD1-CB 3.89Å; F363-F366 AromaticContact CD1-CD2 3.91Å; F363-F366 HydrophobicContact CD1-CD2 3.91Å; F363-F366 HydrophobicContact CD1-CG 4.41Å; F363-F366 HydrophobicContact CG-CB 4.45Å; F363-F366 HydrophobicContact CG-CD2 4.09Å; F363-F366 PolarHBondContact O-N 2.95Å
364	P	86.8	Confident	81.8	Confident	50 Å²	50	48.5 Å²	48.5	33%	0.325	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	129.2	-168.7	23.8	-29.9	0	0	0	110.6	P231 V233 P362 F366	P231-P364 HydrophobicContact CB-CG 4.11Å; P231-P364 VanDerWaalsContact CG-O 3.31Å; P231-P364 WeakPolarHBondContact CG-O 3.45Å; V233-P364 HydrophobicContact CG1-CG 3.98Å; P362-P364 WeakPolarHBondContact O-CD 3.25Å; P364-F366 PolarHBondContact O-N 3.08Å
365	N	90.1	Very high	82.1	Confident	43 Å²	43	47.3 Å²	47.3	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	42.7	177.8	-47.1	-32	0	0	0	113.4	W222 G229 P231 F363 T368 A369 E421	W222-N365 HydrophobicContact CH2-CB 3.56Å; W222-N365 HydrophobicContact CZ3-CB 4.08Å; G229-N365 PolarHBondContact O-ND2 2.9Å; P231-N365 HydrophobicContact CG-CB 4.48Å; F363-N365 PolarHBondContact O-N 3.42Å; N365-T368 WeakPolarHBondContact O-CB 3.39Å; N365-T368 PolarHBondContact O-N 3.03Å; N365-A369 PolarHBondContact O-N 3.31Å; N365-E421 WeakPolarHBondContact CA-OE2 3.41Å
366	F	92.4	Very high	82.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-42.8	-176.1	179.9	-95.6	0	0	0	113.4	G253 V337 Q345 M346 Y349 F363 P364 A369 C370 E421	G253-F366 VanDerWaalsContact O-CE2 3.25Å; G253-F366 WeakPolarHBondContact O-CE2 3.27Å; V337-F366 HydrophobicContact CG1-CE2 4.11Å; Q345-F366 HydrophobicContact CB-CZ 4.49Å; M346-F366 HydrophobicContact SD-CE1 3.96Å; M346-F366 HydrophobicContact SD-CZ 4.21Å; Y349-F366 AromaticContact CD1-CD1 3.94Å; Y349-F366 HydrophobicContact CD1-CD1 3.94Å; Y349-F366 AromaticContact CD1-CE1 3.8Å; Y349-F366 HydrophobicContact CD1-CE1 3.8Å; Y349-F366 HydrophobicContact CD2-CB 4.36Å; Y349-F366 AromaticContact CD2-CD1 3.47Å; Y349-F366 HydrophobicContact CD2-CD1 3.47Å; Y349-F366 VanDerWaalsContact CD2-CD1 3.47Å; Y349-F366 AromaticContact CD2-CE1 3.86Å; Y349-F366 HydrophobicContact CD2-CE1 3.86Å; Y349-F366 AromaticContact CD2-CG 3.94Å; Y349-F366 HydrophobicContact CD2-CG 3.94Å; Y349-F366 HydrophobicContact CE1-CD1 4.19Å; Y349-F366 HydrophobicContact CE1-CE1 4.44Å; Y349-F366 HydrophobicContact CE2-CB 4.21Å; Y349-F366 AromaticContact CE2-CD1 3.75Å; Y349-F366 HydrophobicContact CE2-CD1 3.75Å; Y349-F366 HydrophobicContact CE2-CE1 4.49Å; Y349-F366 HydrophobicContact CE2-CG 4.21Å; Y349-F366 AromaticContact CG-CD1 3.58Å; Y349-F366 HydrophobicContact CG-CD1 3.58Å; Y349-F366 AromaticContact CG-CE1 3.48Å; Y349-F366 HydrophobicContact CG-CE1 3.48Å; Y349-F366 VanDerWaalsContact CG-CE1 3.48Å; Y349-F366 HydrophobicContact CG-CG 4.41Å; Y349-F366 HydrophobicContact CG-CZ 4.23Å; F363-F366 HydrophobicContact CB-CB 4.3Å; F363-F366 HydrophobicContact CB-CD2 4.28Å; F363-F366 HydrophobicContact CD1-CB 3.89Å; F363-F366 AromaticContact CD1-CD2 3.91Å; F363-F366 HydrophobicContact CD1-CD2 3.91Å; F363-F366 HydrophobicContact CD1-CG 4.41Å; F363-F366 HydrophobicContact CG-CB 4.45Å; F363-F366 HydrophobicContact CG-CD2 4.09Å; F363-F366 PolarHBondContact O-N 2.95Å; P364-F366 PolarHBondContact O-N 3.08Å; F366-A369 PolarHBondContact O-N 3.01Å; F366-C370 PolarHBondContact O-N 2.67Å; F366-C370 PolarHBondContact O-SG 2.8Å; F366-E421 PolarHBondContact N-OE2 3.06Å
367	E	93.9	Very high	83.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-72.8	-35.4	178.1	-57	-161.5	166.6	0	0	110.9	Y349 A369 C370 W371 W409 H418 E421	Y349-E367 HydrophobicContact CE1-CG 4.17Å; Y349-E367 WeakPolarHBondContact CE1-OE1 3.37Å; Y349-E367 PolarHBondContact OH-OE1 2.69Å; E367-A369 VanDerWaalsContact C-N 3.32Å; E367-A369 PolarHBondContact O-N 3.03Å; E367-C370 CarbonylContact O-C 3.47Å; E367-C370 WeakPolarHBondContact O-CA 3.47Å; E367-C370 WeakPolarHBondContact O-CB 3.49Å; E367-C370 PolarHBondContact O-N 2.83Å; E367-C370 VanDerWaalsContact O-N 3.1Å; E367-W371 PolarHBondContact O-N 3.13Å; E367-W409 HydrophobicContact CB-CE3 4.38Å; E367-W409 HydrophobicContact CB-CH2 3.83Å; E367-W409 HydrophobicContact CB-CZ2 4.3Å; E367-W409 HydrophobicContact CB-CZ3 3.86Å; E367-W409 VanDerWaalsContact CD-CZ2 3.4Å; E367-W409 HydrophobicContact CG-CH2 3.62Å; E367-W409 HydrophobicContact CG-CZ2 3.6Å; E367-W409 HydrophobicContact CG-CZ3 4.08Å; E367-W409 VanDerWaalsContact OE1-CZ2 3.24Å; E367-W409 WeakPolarHBondContact OE1-CZ2 3.46Å; E367-W409 PolarHBondContact OE1-NE1 3.18Å; E367-H418 IonicContact OE1-CE1 2.69Å; E367-H418 PolarHBondContact OE1-CE1 3.47Å; E367-H418 IonicContact OE1-ND1 2.71Å; E367-H418 PolarHBondContact OE1-ND1 2.85Å; E367-H418 IonicContact OE2-CE1 2.73Å; E367-H418 IonicContact OE2-CG 3.96Å; E367-H418 IonicContact OE2-ND1 3.48Å; E367-H418 PolarHBondContact OE2-ND1 3.26Å; E367-E421 WeakPolarHBondContact CA-OE2 3.48Å; E367-E421 HydrophobicContact CB-CB 4.01Å; E367-E421 HydrophobicContact CB-CG 4.49Å; E367-E421 PolarHBondContact N-OE2 3.49Å
368	T	94.1	Very high	85.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56	-46.6	170.5	-43.9	0	0	0	0	111	W222 L228 N365 W371 Y372 E421 P423	W222-T368 HydrophobicContact CH2-CG2 3.65Å; W222-T368 HydrophobicContact CZ2-CG2 4.43Å; W222-T368 HydrophobicContact CZ3-CG2 4.07Å; L228-T368 HydrophobicContact CD1-CG2 3.77Å; N365-T368 WeakPolarHBondContact O-CB 3.39Å; N365-T368 PolarHBondContact O-N 3.03Å; T368-W371 WeakPolarHBondContact O-CB 3.42Å; T368-W371 PolarHBondContact O-N 2.83Å; T368-Y372 HydrophobicContact CG2-CD2 4.36Å; T368-Y372 HydrophobicContact CG2-CE2 3.75Å; T368-Y372 VanDerWaalsContact O-CD2 3.3Å; T368-Y372 WeakPolarHBondContact O-CD2 3.48Å; T368-Y372 PolarHBondContact O-N 2.79Å; T368-Y372 VanDerWaalsContact O-N 3.12Å; T368-E421 WeakPolarHBondContact CA-O 3.33Å; T368-E421 PolarHBondContact N-OE2 3.24Å; T368-E421 PolarHBondContact OG1-O 3.02Å; T368-E421 PolarHBondContact OG1-OE2 2.87Å; T368-P423 HydrophobicContact CG2-CG 3.86Å
369	A	94.1	Very high	87.4	Confident	3 Å²	3	34 Å²	34	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-43.2	174.2	0	0	0	0	0	111.6	W222 N365 F366 E367 W371 Y372 V373	W222-A369 HydrophobicContact CE3-CB 4.43Å; W222-A369 HydrophobicContact CZ3-CB 4.17Å; N365-A369 PolarHBondContact O-N 3.31Å; F366-A369 PolarHBondContact O-N 3.01Å; E367-A369 VanDerWaalsContact C-N 3.32Å; E367-A369 PolarHBondContact O-N 3.03Å; A369-W371 VanDerWaalsContact C-N 3.33Å; A369-W371 PolarHBondContact O-N 3.18Å; A369-Y372 PolarHBondContact O-N 3.47Å; A369-V373 WeakPolarHBondContact O-CG2 3.24Å; A369-V373 PolarHBondContact O-N 3.43Å
370	C	96	Very high	89.7	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-40.7	174.1	-68.6	0	0	0	0	112.4	F366 E367 V373 G374 F406 W409	F366-C370 PolarHBondContact O-N 2.67Å; F366-C370 PolarHBondContact O-SG 2.8Å; E367-C370 CarbonylContact O-C 3.47Å; E367-C370 WeakPolarHBondContact O-CA 3.47Å; E367-C370 WeakPolarHBondContact O-CB 3.49Å; E367-C370 PolarHBondContact O-N 2.83Å; E367-C370 VanDerWaalsContact O-N 3.1Å; C370-V373 PolarHBondContact O-N 3.27Å; C370-G374 PolarHBondContact O-N 2.82Å; C370-F406 HydrophobicContact CB-CE1 4.36Å; C370-F406 WeakPolarHBondContact O-CZ 3.19Å; C370-W409 HydrophobicContact CB-CH2 3.91Å; C370-W409 HydrophobicContact CB-CZ3 4.05Å
371	W	96	Very high	91.6	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-48	175.6	-77.3	118.7	0	0	0	111.9	E367 T368 A369 G374 R375 F406 W409 T410 L422 P423 M426 P428 L431 I432	E367-W371 PolarHBondContact O-N 3.13Å; T368-W371 WeakPolarHBondContact O-CB 3.42Å; T368-W371 PolarHBondContact O-N 2.83Å; A369-W371 VanDerWaalsContact C-N 3.33Å; A369-W371 PolarHBondContact O-N 3.18Å; W371-G374 PolarHBondContact O-N 3.24Å; W371-R375 PolarHBondContact O-N 2.92Å; W371-F406 AromaticContact CD2-CD1 3.88Å; W371-F406 HydrophobicContact CD2-CD1 3.88Å; W371-F406 AromaticContact CD2-CE1 3.58Å; W371-F406 HydrophobicContact CD2-CE1 3.58Å; W371-F406 HydrophobicContact CD2-CZ 4.08Å; W371-F406 AromaticContact CE2-CD1 3.99Å; W371-F406 AromaticContact CE3-CD1 3.61Å; W371-F406 HydrophobicContact CE3-CD1 3.61Å; W371-F406 HydrophobicContact CE3-CD2 4.03Å; W371-F406 AromaticContact CE3-CE1 3.39Å; W371-F406 HydrophobicContact CE3-CE1 3.39Å; W371-F406 AromaticContact CE3-CE2 3.83Å; W371-F406 HydrophobicContact CE3-CE2 3.83Å; W371-F406 AromaticContact CE3-CG 3.93Å; W371-F406 HydrophobicContact CE3-CG 3.93Å; W371-F406 AromaticContact CE3-CZ 3.5Å; W371-F406 HydrophobicContact CE3-CZ 3.5Å; W371-F406 HydrophobicContact CG-CE1 4.11Å; W371-F406 HydrophobicContact CH2-CB 3.66Å; W371-F406 AromaticContact CH2-CD1 3.63Å; W371-F406 HydrophobicContact CH2-CD1 3.63Å; W371-F406 HydrophobicContact CH2-CD2 4.25Å; W371-F406 HydrophobicContact CH2-CE1 4.29Å; W371-F406 AromaticContact CH2-CG 3.6Å; W371-F406 HydrophobicContact CH2-CG 3.6Å; W371-F406 HydrophobicContact CZ2-CB 4.44Å; W371-F406 AromaticContact CZ2-CD1 3.89Å; W371-F406 HydrophobicContact CZ2-CD1 3.89Å; W371-F406 HydrophobicContact CZ2-CE1 4.45Å; W371-F406 HydrophobicContact CZ2-CG 4.31Å; W371-F406 HydrophobicContact CZ3-CB 3.89Å; W371-F406 AromaticContact CZ3-CD1 3.5Å; W371-F406 HydrophobicContact CZ3-CD1 3.5Å; W371-F406 VanDerWaalsContact CZ3-CD1 3.5Å; W371-F406 AromaticContact CZ3-CD2 3.58Å; W371-F406 HydrophobicContact CZ3-CD2 3.58Å; W371-F406 AromaticContact CZ3-CE1 3.79Å; W371-F406 HydrophobicContact CZ3-CE1 3.79Å; W371-F406 AromaticContact CZ3-CE2 3.87Å; W371-F406 HydrophobicContact CZ3-CE2 3.87Å; W371-F406 AromaticContact CZ3-CG 3.39Å; W371-F406 HydrophobicContact CZ3-CG 3.39Å; W371-F406 AromaticContact CZ3-CZ 3.96Å; W371-F406 HydrophobicContact CZ3-CZ 3.96Å; W371-W409 HydrophobicContact CZ2-CE3 4.2Å; W371-T410 HydrophobicContact CH2-CG2 3.84Å; W371-T410 HydrophobicContact CZ2-CG2 4.07Å; W371-L422 HydrophobicContact CD2-CD1 3.79Å; W371-L422 HydrophobicContact CE3-CD1 4.3Å; W371-L422 HydrophobicContact CG-CD1 4.16Å; W371-L422 HydrophobicContact CH2-CD1 4.43Å; W371-L422 HydrophobicContact CZ2-CD1 3.92Å; W371-P423 HydrophobicContact CB-CG 4.02Å; W371-M426 HydrophobicContact CB-CE 4.11Å; W371-M426 HydrophobicContact CB-SD 3.81Å; W371-M426 HydrophobicContact CD2-SD 4.11Å; W371-M426 HydrophobicContact CE3-SD 3.6Å; W371-M426 HydrophobicContact CG-SD 4.23Å; W371-M426 HydrophobicContact CZ3-SD 4.5Å; W371-P428 HydrophobicContact CH2-CB 3.83Å; W371-P428 HydrophobicContact CH2-CG 4.43Å; W371-P428 HydrophobicContact CZ3-CB 4.12Å; W371-L431 HydrophobicContact CE3-CD2 3.94Å; W371-L431 HydrophobicContact CZ3-CD2 4.21Å; W371-I432 HydrophobicContact CH2-CD1 4.26Å
372	Y	95.6	Very high	93.2	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.2	-66	-48.4	0	0	0	112.7	W222 P223 T368 A369 G374 R375 H376 P423 M426	W222-Y372 HydrophobicContact CD2-CD2 4.26Å; W222-Y372 HydrophobicContact CD2-CE2 4.03Å; W222-Y372 AromaticContact CE3-CD2 3.93Å; W222-Y372 HydrophobicContact CE3-CD2 3.93Å; W222-Y372 AromaticContact CE3-CE2 3.99Å; W222-Y372 HydrophobicContact CE3-CE2 3.99Å; W222-Y372 HydrophobicContact CH2-CE2 4.18Å; W222-Y372 HydrophobicContact CZ2-CE2 4.24Å; W222-Y372 HydrophobicContact CZ3-CD2 4.2Å; W222-Y372 HydrophobicContact CZ3-CE2 4.07Å; P223-Y372 HydrophobicContact CG-CD1 4.22Å; P223-Y372 HydrophobicContact CG-CE1 3.66Å; P223-Y372 HydrophobicContact CG-CE2 4.19Å; T368-Y372 HydrophobicContact CG2-CD2 4.36Å; T368-Y372 HydrophobicContact CG2-CE2 3.75Å; T368-Y372 VanDerWaalsContact O-CD2 3.3Å; T368-Y372 WeakPolarHBondContact O-CD2 3.48Å; T368-Y372 PolarHBondContact O-N 2.79Å; T368-Y372 VanDerWaalsContact O-N 3.12Å; A369-Y372 PolarHBondContact O-N 3.47Å; Y372-G374 VanDerWaalsContact C-N 3.34Å; Y372-G374 PolarHBondContact O-N 3.25Å; Y372-R375 WeakPolarHBondContact O-CB 3.23Å; Y372-R375 PolarHBondContact O-N 2.63Å; Y372-H376 PolarHBondContact O-N 3.35Å; Y372-P423 HydrophobicContact CD1-CG 4.32Å; Y372-P423 HydrophobicContact CE1-CB 3.89Å; Y372-P423 HydrophobicContact CE1-CG 3.78Å; Y372-P423 HydrophobicContact CE2-CG 4.37Å; Y372-M426 HydrophobicContact CD1-CE 4.34Å
373	V	96.1	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.8	174.9	0	0	0	0	110.9	W217 Y221 A369 C370 R375 H376 L377 I402	W217-V373 HydrophobicContact CB-CG2 3.76Å; W217-V373 HydrophobicContact CD2-CB 4.41Å; W217-V373 HydrophobicContact CD2-CG1 4.41Å; W217-V373 HydrophobicContact CD2-CG2 3.29Å; W217-V373 HydrophobicContact CE3-CG2 3.68Å; W217-V373 HydrophobicContact CG-CG2 3.37Å; W217-V373 HydrophobicContact CZ2-CG1 3.94Å; W217-V373 HydrophobicContact CZ2-CG2 4.24Å; W217-V373 HydrophobicContact CZ3-CG2 4.29Å; Y221-V373 HydrophobicContact CD2-CB 4.47Å; Y221-V373 HydrophobicContact CD2-CG2 3.71Å; Y221-V373 HydrophobicContact CE2-CG2 4.4Å; A369-V373 WeakPolarHBondContact O-CG2 3.24Å; A369-V373 PolarHBondContact O-N 3.43Å; C370-V373 PolarHBondContact O-N 3.27Å; V373-R375 VanDerWaalsContact C-N 3.34Å; V373-R375 PolarHBondContact O-N 2.84Å; V373-H376 PolarHBondContact O-N 3.43Å; V373-L377 HydrophobicContact CG1-CD1 3.76Å; V373-L377 HydrophobicContact CG1-CG 4.15Å; V373-L377 WeakPolarHBondContact O-CB 3.43Å; V373-L377 WeakPolarHBondContact O-CG 3.33Å; V373-L377 PolarHBondContact O-N 3.02Å; V373-I402 HydrophobicContact CG1-CD1 3.77Å
374	G	96.7	Very high	94.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-40.1	176.8	0	0	0	0	0	113.2	C370 W371 Y372 L378	C370-G374 PolarHBondContact O-N 2.82Å; W371-G374 PolarHBondContact O-N 3.24Å; Y372-G374 VanDerWaalsContact C-N 3.34Å; Y372-G374 PolarHBondContact O-N 3.25Å; G374-L378 WeakPolarHBondContact O-CB 3.46Å; G374-L378 PolarHBondContact O-N 2.81Å; G374-L378 VanDerWaalsContact O-N 3.11Å
375	R	95.6	Very high	94.9	Very high	100 Å²	100	32.8 Å²	32.8	38%	0.377	16%	0.155	S	C	.	.	H	α-helix	trans	-61.3	-51.5	171.7	179.4	179.5	68.3	169.6	0.7	111.1	W371 Y372 V373 L377 L378 E379 M426	W371-R375 PolarHBondContact O-N 2.92Å; Y372-R375 WeakPolarHBondContact O-CB 3.23Å; Y372-R375 PolarHBondContact O-N 2.63Å; V373-R375 VanDerWaalsContact C-N 3.34Å; V373-R375 PolarHBondContact O-N 2.84Å; R375-L377 PolarHBondContact O-N 2.72Å; R375-L378 WeakPolarHBondContact O-CB 3.38Å; R375-L378 PolarHBondContact O-N 3.23Å; R375-E379 WeakPolarHBondContact CG-OE1 3.46Å; R375-E379 PolarHBondContact O-N 2.85Å; R375-E379 VanDerWaalsContact O-N 3.07Å; R375-M426 HydrophobicContact CB-CE 4.1Å
376	H	95.6	Very high	95	Very high	48 Å²	48	39.6 Å²	39.6	22%	0.222	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-41.8	-179.9	167.2	-107.6	0	0	0	112.5	Y221 Y372 V373 L378 E379 R380	Y221-H376 HydrophobicContact CD1-CB 4.01Å; Y221-H376 AromaticContact CD1-CG 3.6Å; Y221-H376 AromaticContact CD1-ND1 3.58Å; Y221-H376 HydrophobicContact CE1-CB 4.44Å; Y221-H376 AromaticContact CE1-CD2 3.94Å; Y221-H376 AromaticContact CE1-CE1 3.22Å; Y221-H376 WeakPolarHBondContact CE1-CE1 3.48Å; Y221-H376 AromaticContact CE1-CG 3.59Å; Y221-H376 AromaticContact CE1-ND1 3.12Å; Y221-H376 WeakPolarHBondContact CE1-ND1 3.47Å; Y221-H376 AromaticContact CE1-NE2 3.76Å; Y221-H376 AromaticContact CE2-ND1 3.88Å; Y221-H376 HydrophobicContact CG-CB 4.31Å; Y221-H376 AromaticContact CZ-CE1 3.44Å; Y221-H376 VanDerWaalsContact CZ-CE1 3.44Å; Y221-H376 AromaticContact CZ-ND1 3.29Å; Y221-H376 VanDerWaalsContact CZ-ND1 3.29Å; Y221-H376 PolarHBondContact OH-CE1 3.27Å; Y372-H376 PolarHBondContact O-N 3.35Å; V373-H376 PolarHBondContact O-N 3.43Å; H376-L378 VanDerWaalsContact C-N 3.34Å; H376-L378 PolarHBondContact O-N 2.94Å; H376-E379 PolarHBondContact O-N 2.75Å; H376-R380 VanDerWaalsContact O-CB 3.31Å; H376-R380 WeakPolarHBondContact O-CB 3.23Å; H376-R380 PolarHBondContact O-N 3.11Å
377	L	96.3	Very high	95.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-40.2	176.3	-72.8	173.1	0	0	0	112	V373 R375 R380 F381 L395 A399 I402 L435	V373-L377 HydrophobicContact CG1-CD1 3.76Å; V373-L377 HydrophobicContact CG1-CG 4.15Å; V373-L377 WeakPolarHBondContact O-CB 3.43Å; V373-L377 WeakPolarHBondContact O-CG 3.33Å; V373-L377 PolarHBondContact O-N 3.02Å; R375-L377 PolarHBondContact O-N 2.72Å; L377-R380 PolarHBondContact O-N 3.24Å; L377-F381 HydrophobicContact CD2-CE1 4.44Å; L377-F381 WeakPolarHBondContact O-CB 3.39Å; L377-F381 WeakPolarHBondContact O-CD1 3.41Å; L377-F381 VanDerWaalsContact O-CG 3.24Å; L377-F381 WeakPolarHBondContact O-CG 3.34Å; L377-F381 PolarHBondContact O-N 2.94Å; L377-L395 HydrophobicContact CD2-CD2 4.13Å; L377-A399 HydrophobicContact CD1-CB 4.14Å; L377-I402 HydrophobicContact CD1-CD1 4Å; L377-L435 HydrophobicContact CB-CD1 4.48Å
378	L	96.6	Very high	94.9	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-44.8	173.4	172.3	58	0	0	0	111.9	G374 R375 H376 K382 L431 D434 L435 E438	G374-L378 WeakPolarHBondContact O-CB 3.46Å; G374-L378 PolarHBondContact O-N 2.81Å; G374-L378 VanDerWaalsContact O-N 3.11Å; R375-L378 WeakPolarHBondContact O-CB 3.38Å; R375-L378 PolarHBondContact O-N 3.23Å; H376-L378 VanDerWaalsContact C-N 3.34Å; H376-L378 PolarHBondContact O-N 2.94Å; L378-K382 HydrophobicContact CD1-CD 3.95Å; L378-K382 HydrophobicContact CD1-CG 4.23Å; L378-K382 HydrophobicContact CG-CD 4.16Å; L378-K382 WeakPolarHBondContact O-CB 3.45Å; L378-K382 WeakPolarHBondContact O-CG 3.22Å; L378-K382 PolarHBondContact O-N 3.45Å; L378-L431 HydrophobicContact CB-CD1 4.08Å; L378-L431 HydrophobicContact CD2-CD1 3.58Å; L378-L431 HydrophobicContact CG-CD1 4.48Å; L378-D434 HydrophobicContact CD1-CB 3.87Å; L378-D434 HydrophobicContact CD2-CB 3.58Å; L378-D434 HydrophobicContact CG-CB 4.39Å; L378-L435 HydrophobicContact CB-CD1 4.18Å; L378-E438 HydrophobicContact CD1-CB 4.43Å; L378-E438 HydrophobicContact CD1-CG 3.81Å
379	E	95.9	Very high	94.9	Very high	113 Å²	113	55.7 Å²	55.7	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-69	-42.1	179.8	-71.6	170.4	-164.8	0	0	111.8	R375 H376 F381 K382 G383	R375-E379 WeakPolarHBondContact CG-OE1 3.46Å; R375-E379 PolarHBondContact O-N 2.85Å; R375-E379 VanDerWaalsContact O-N 3.07Å; H376-E379 PolarHBondContact O-N 2.75Å; E379-F381 PolarHBondContact O-N 2.75Å; E379-K382 PolarHBondContact O-N 3.27Å; E379-G383 PolarHBondContact O-N 2.63Å
380	R	95.5	Very high	94.7	Very high	106 Å²	106	59.1 Å²	59.1	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-44.7	173.3	-174.4	176.2	178.2	94.3	-7.9	111.5	H376 L377 G383 L384	H376-R380 VanDerWaalsContact O-CB 3.31Å; H376-R380 WeakPolarHBondContact O-CB 3.23Å; H376-R380 PolarHBondContact O-N 3.11Å; L377-R380 PolarHBondContact O-N 3.24Å; R380-G383 PolarHBondContact O-N 3.35Å; R380-L384 HydrophobicContact CG-CD1 4.05Å; R380-L384 WeakPolarHBondContact O-CB 3.46Å; R380-L384 VanDerWaalsContact O-CG 3.32Å; R380-L384 WeakPolarHBondContact O-CG 3.35Å; R380-L384 PolarHBondContact O-N 3.09Å
381	F	96.3	Very high	94.5	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-42.5	177.8	-68.9	2.5	0	0	0	111.7	L377 E379 G383 L384 H385 P391 L395 I396 A399 E438 I439	L377-F381 HydrophobicContact CD2-CE1 4.44Å; L377-F381 WeakPolarHBondContact O-CB 3.39Å; L377-F381 WeakPolarHBondContact O-CD1 3.41Å; L377-F381 VanDerWaalsContact O-CG 3.24Å; L377-F381 WeakPolarHBondContact O-CG 3.34Å; L377-F381 PolarHBondContact O-N 2.94Å; E379-F381 PolarHBondContact O-N 2.75Å; F381-G383 VanDerWaalsContact C-N 3.26Å; F381-G383 PolarHBondContact O-N 3.06Å; F381-L384 PolarHBondContact O-N 2.86Å; F381-H385 VanDerWaalsContact O-CB 3.23Å; F381-H385 WeakPolarHBondContact O-CB 3.35Å; F381-H385 PolarHBondContact O-N 3.06Å; F381-P391 HydrophobicContact CD1-CB 3.83Å; F381-P391 HydrophobicContact CD1-CG 3.62Å; F381-P391 HydrophobicContact CE1-CB 3.58Å; F381-P391 HydrophobicContact CE1-CG 3.86Å; F381-P391 HydrophobicContact CG-CG 4.09Å; F381-P391 HydrophobicContact CZ-CB 4.26Å; F381-P391 HydrophobicContact CZ-CG 4.49Å; F381-L395 HydrophobicContact CE1-CB 4.05Å; F381-L395 HydrophobicContact CZ-CB 4.17Å; F381-I396 HydrophobicContact CZ-CG1 4.37Å; F381-A399 HydrophobicContact CE2-CB 3.62Å; F381-A399 HydrophobicContact CZ-CB 3.76Å; F381-E438 HydrophobicContact CB-CB 4.02Å; F381-E438 HydrophobicContact CD2-CB 4.44Å; F381-I439 HydrophobicContact CD2-CG1 4.45Å; F381-I439 HydrophobicContact CE2-CG1 4.01Å
382	K	95.8	Very high	94.3	Very high	65 Å²	65	60.6 Å²	60.6	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-37.2	171.4	-77.1	171.5	171.1	163.1	0	112	L378 E379 K386 D434 E438	L378-K382 HydrophobicContact CD1-CD 3.95Å; L378-K382 HydrophobicContact CD1-CG 4.23Å; L378-K382 HydrophobicContact CG-CD 4.16Å; L378-K382 WeakPolarHBondContact O-CB 3.45Å; L378-K382 WeakPolarHBondContact O-CG 3.22Å; L378-K382 PolarHBondContact O-N 3.45Å; E379-K382 PolarHBondContact O-N 3.27Å; K382-K386 WeakPolarHBondContact O-CB 3.33Å; K382-K386 WeakPolarHBondContact O-CD 3.34Å; K382-K386 WeakPolarHBondContact O-CG 3.4Å; K382-K386 PolarHBondContact O-N 2.98Å; K382-D434 IonicContact NZ-OD2 2.8Å; K382-D434 PolarHBondContact NZ-OD2 2.81Å; K382-E438 HydrophobicContact CG-CG 3.94Å
383	G	95.1	Very high	94.1	Very high	36 Å²	36	64.7 Å²	64.7	37%	0.371	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-50.1	175.8	0	0	0	0	0	113	E379 R380 F381 H385 K386 A387	E379-G383 PolarHBondContact O-N 2.63Å; R380-G383 PolarHBondContact O-N 3.35Å; F381-G383 VanDerWaalsContact C-N 3.26Å; F381-G383 PolarHBondContact O-N 3.06Å; G383-H385 PolarHBondContact O-N 3.43Å; G383-K386 PolarHBondContact O-N 3.46Å; G383-A387 PolarHBondContact O-N 2.92Å
384	L	93.8	Very high	94	Very high	38 Å²	38	67.3 Å²	67.3	20%	0.199	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-44.3	178.5	-71.9	168.5	0	0	0	111.9	R380 F381 K386 A387 N388 K389 P391	R380-L384 HydrophobicContact CG-CD1 4.05Å; R380-L384 WeakPolarHBondContact O-CB 3.46Å; R380-L384 VanDerWaalsContact O-CG 3.32Å; R380-L384 WeakPolarHBondContact O-CG 3.35Å; R380-L384 PolarHBondContact O-N 3.09Å; F381-L384 PolarHBondContact O-N 2.86Å; L384-K386 PolarHBondContact O-N 2.71Å; L384-A387 CarbonylContact O-C 3.54Å; L384-A387 WeakPolarHBondContact O-CA 3.49Å; L384-A387 PolarHBondContact O-N 2.72Å; L384-N388 PolarHBondContact O-N 3.46Å; L384-K389 CarbonylContact C-O 3.35Å; L384-K389 HydrophobicContact CB-CB 4.48Å; L384-K389 HydrophobicContact CD2-CB 3.88Å; L384-K389 HydrophobicContact CD2-CD 4.47Å; L384-K389 PolarHBondContact O-N 2.83Å; L384-P391 HydrophobicContact CD1-CB 3.92Å; L384-P391 HydrophobicContact CD1-CG 3.92Å
385	H	91.8	Very high	93.9	Very high	96 Å²	96	67.5 Å²	67.5	44%	0.444	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-42.3	176.3	-175	-171.2	0	0	0	111.8	F381 G383 A387 N388 E438	F381-H385 VanDerWaalsContact O-CB 3.23Å; F381-H385 WeakPolarHBondContact O-CB 3.35Å; F381-H385 PolarHBondContact O-N 3.06Å; G383-H385 PolarHBondContact O-N 3.43Å; H385-A387 VanDerWaalsContact C-N 3.28Å; H385-A387 PolarHBondContact O-N 3.24Å; H385-N388 PolarHBondContact O-N 3.03Å; H385-N388 VanDerWaalsContact O-N 3.07Å; H385-E438 IonicContact CE1-OE2 4Å; H385-E438 IonicContact ND1-OE2 3.15Å; H385-E438 PolarHBondContact ND1-OE2 3.43Å; H385-E438 VanDerWaalsContact ND1-OE2 3.12Å
386	K	92.9	Very high	94	Very high	186 Å²	186	63.3 Å²	63.3	81%	0.809	32%	0.324	S	S	*	.	H	α-helix	trans	-61.8	-33.9	171.6	-75.1	169	-177.6	179.1	0	113.1	K382 G383 L384 N388	K382-K386 WeakPolarHBondContact O-CB 3.33Å; K382-K386 WeakPolarHBondContact O-CD 3.34Å; K382-K386 WeakPolarHBondContact O-CG 3.4Å; K382-K386 PolarHBondContact O-N 2.98Å; G383-K386 PolarHBondContact O-N 3.46Å; L384-K386 PolarHBondContact O-N 2.71Å; K386-N388 PolarHBondContact O-N 3.18Å
387	A	93.8	Very high	94	Very high	61 Å²	61	65.3 Å²	65.3	50%	0.504	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5	175.5	0	0	0	0	0	113.6	G383 L384 H385 K389	G383-A387 PolarHBondContact O-N 2.92Å; L384-A387 CarbonylContact O-C 3.54Å; L384-A387 WeakPolarHBondContact O-CA 3.49Å; L384-A387 PolarHBondContact O-N 2.72Å; H385-A387 VanDerWaalsContact C-N 3.28Å; H385-A387 PolarHBondContact O-N 3.24Å; A387-K389 HydrophobicContact CB-CG 4.34Å; A387-K389 PolarHBondContact O-N 3.27Å
388	N	90.3	Very high	94	Very high	141 Å²	141	65.4 Å²	65.4	75%	0.754	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	29	-173	-156.4	37.4	0	0	0	114.7	L384 H385 K386	L384-N388 PolarHBondContact O-N 3.46Å; H385-N388 PolarHBondContact O-N 3.03Å; H385-N388 VanDerWaalsContact O-N 3.07Å; K386-N388 PolarHBondContact O-N 3.18Å
389	K	92.3	Very high	94	Very high	138 Å²	138	64.8 Å²	64.8	60%	0.6	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-101.3	146.6	175.7	-65.7	-171.8	178.2	-171.6	0	110.5	L384 A387	L384-K389 CarbonylContact C-O 3.35Å; L384-K389 HydrophobicContact CB-CB 4.48Å; L384-K389 HydrophobicContact CD2-CB 3.88Å; L384-K389 HydrophobicContact CD2-CD 4.47Å; L384-K389 PolarHBondContact O-N 2.83Å; A387-K389 HydrophobicContact CB-CG 4.34Å; A387-K389 PolarHBondContact O-N 3.27Å
390	Q	90.1	Very high	94.1	Very high	74 Å²	74	63.2 Å²	63.2	35%	0.346	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-85.8	142	171.9	-64.4	-52.4	-50	0	0	111.3	S442 A445 I449	Q390-S442 PolarHBondContact OE1-O 2.85Å; Q390-A445 VanDerWaalsContact NE2-CB 3.34Å; Q390-I449 HydrophobicContact CG-CD1 3.93Å
391	P	92.1	Very high	94.2	Very high	8 Å²	8	60 Å²	60	5%	0.052	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.6	151.5	164.6	-13.4	28.3	0	0	0	111.6	F381 L384 I396	F381-P391 HydrophobicContact CD1-CB 3.83Å; F381-P391 HydrophobicContact CD1-CG 3.62Å; F381-P391 HydrophobicContact CE1-CB 3.58Å; F381-P391 HydrophobicContact CE1-CG 3.86Å; F381-P391 HydrophobicContact CG-CG 4.09Å; F381-P391 HydrophobicContact CZ-CB 4.26Å; F381-P391 HydrophobicContact CZ-CG 4.49Å; L384-P391 HydrophobicContact CD1-CB 3.92Å; L384-P391 HydrophobicContact CD1-CG 3.92Å; P391-I396 HydrophobicContact CB-CD1 4.32Å; P391-I396 HydrophobicContact CB-CG1 4.01Å; P391-I396 HydrophobicContact CG-CG1 4.43Å
392	A	91.7	Very high	94.3	Very high	27 Å²	27	60 Å²	60	22%	0.223	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-59.5	143.9	174.1	0	0	0	0	0	111.3	Y394 L395 I396	A392-Y394 VanDerWaalsContact C-N 3.27Å; A392-Y394 HydrophobicContact CB-CD1 3.65Å; A392-Y394 HydrophobicContact CB-CE1 3.51Å; A392-Y394 PolarHBondContact O-N 2.69Å; A392-L395 HydrophobicContact CB-CD1 4.2Å; A392-L395 HydrophobicContact CB-CG 4.3Å; A392-L395 WeakPolarHBondContact O-CB 3.45Å; A392-L395 PolarHBondContact O-N 3.02Å; A392-L395 VanDerWaalsContact O-N 3.07Å; A392-I396 PolarHBondContact O-N 2.86Å
393	P	92.9	Very high	94.4	Very high	105 Å²	105	57.7 Å²	57.7	68%	0.682	30%	0.304	S	S	*	.	H	α-helix	trans	-57.4	-36.7	-175.8	-27.2	35.6	0	0	0	114	L395 I396 H397	P393-L395 PolarHBondContact O-N 3.05Å; P393-I396 PolarHBondContact O-N 2.91Å; P393-H397 PolarHBondContact O-N 3.48Å
394	Y	93.6	Very high	94.5	Very high	55 Å²	55	57.7 Å²	57.7	22%	0.216	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-39.1	178.6	82	-98	0	0	0	111.6	E119 N339 L340 A392 I396 H397 G398	E119-Y394 HydrophobicContact CB-CE1 4.26Å; E119-Y394 HydrophobicContact CG-CE1 3.76Å; E119-Y394 PolarHBondContact OE1-OH 3.34Å; N339-Y394 HydrophobicContact CB-CE2 4.03Å; N339-Y394 VanDerWaalsContact O-CD2 3.28Å; N339-Y394 WeakPolarHBondContact O-CD2 3.22Å; N339-Y394 WeakPolarHBondContact O-CE2 3.26Å; L340-Y394 HydrophobicContact CD2-CD2 4.25Å; L340-Y394 HydrophobicContact CD2-CE1 4.44Å; L340-Y394 HydrophobicContact CD2-CE2 3.87Å; A392-Y394 VanDerWaalsContact C-N 3.27Å; A392-Y394 HydrophobicContact CB-CD1 3.65Å; A392-Y394 HydrophobicContact CB-CE1 3.51Å; A392-Y394 PolarHBondContact O-N 2.69Å; Y394-I396 PolarHBondContact O-N 2.97Å; Y394-H397 PolarHBondContact O-N 3.37Å; Y394-G398 PolarHBondContact O-N 3.2Å
395	L	94.9	Very high	94.6	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-39.8	174.6	-65.9	174.5	0	0	0	111.8	N339 L377 F381 A392 P393 H397 A399	N339-L395 HydrophobicContact CB-CD2 3.81Å; L377-L395 HydrophobicContact CD2-CD2 4.13Å; F381-L395 HydrophobicContact CE1-CB 4.05Å; F381-L395 HydrophobicContact CZ-CB 4.17Å; A392-L395 HydrophobicContact CB-CD1 4.2Å; A392-L395 HydrophobicContact CB-CG 4.3Å; A392-L395 WeakPolarHBondContact O-CB 3.45Å; A392-L395 PolarHBondContact O-N 3.02Å; A392-L395 VanDerWaalsContact O-N 3.07Å; P393-L395 PolarHBondContact O-N 3.05Å; L395-H397 VanDerWaalsContact C-N 3.3Å; L395-H397 PolarHBondContact O-N 3.35Å; L395-A399 WeakPolarHBondContact O-CB 3.05Å; L395-A399 PolarHBondContact O-N 2.85Å
396	I	95.9	Very high	94.8	Very high	12 Å²	12	52 Å²	52	6%	0.062	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-36.7	177.7	-57.8	173.3	0	0	0	110.1	F381 P391 A392 P393 Y394 K400 I439 E443	F381-I396 HydrophobicContact CZ-CG1 4.37Å; P391-I396 HydrophobicContact CB-CD1 4.32Å; P391-I396 HydrophobicContact CB-CG1 4.01Å; P391-I396 HydrophobicContact CG-CG1 4.43Å; A392-I396 PolarHBondContact O-N 2.86Å; P393-I396 PolarHBondContact O-N 2.91Å; Y394-I396 PolarHBondContact O-N 2.97Å; I396-K400 VanDerWaalsContact O-CG 3.29Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 3.28Å; I396-K400 VanDerWaalsContact O-N 3.11Å; I396-I439 HydrophobicContact CG2-CG2 4.39Å; I396-E443 HydrophobicContact CG2-CG 4.12Å
397	H	96.1	Very high	95	Very high	89 Å²	89	48.2 Å²	48.2	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-51.6	175.2	-168.9	56.1	0	0	0	112.1	E343 P393 Y394 L395 A399 K400 I401	E343-H397 IonicContact OE2-CD2 3.37Å; E343-H397 IonicContact OE2-CE1 2.73Å; E343-H397 IonicContact OE2-NE2 2.66Å; E343-H397 PolarHBondContact OE2-NE2 3.19Å; P393-H397 PolarHBondContact O-N 3.48Å; Y394-H397 PolarHBondContact O-N 3.37Å; L395-H397 VanDerWaalsContact C-N 3.3Å; L395-H397 PolarHBondContact O-N 3.35Å; H397-A399 VanDerWaalsContact C-N 3.33Å; H397-A399 PolarHBondContact O-N 3.42Å; H397-K400 WeakPolarHBondContact O-CB 3.48Å; H397-K400 PolarHBondContact O-N 2.9Å; H397-K400 VanDerWaalsContact O-N 3.09Å; H397-I401 WeakPolarHBondContact O-CG1 3.48Å; H397-I401 PolarHBondContact O-N 2.83Å; H397-I401 VanDerWaalsContact O-N 3.13Å
398	G	96.6	Very high	95	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-57.9	-43	175.4	0	0	0	0	0	112.9	Y394 K400 I401 I402	Y394-G398 PolarHBondContact O-N 3.2Å; G398-K400 VanDerWaalsContact C-N 3.32Å; G398-K400 PolarHBondContact O-N 3.06Å; G398-I401 PolarHBondContact O-N 3.48Å; G398-I402 WeakPolarHBondContact O-CG1 3.45Å; G398-I402 PolarHBondContact O-N 3.47Å
399	A	97.3	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-35.4	175.7	0	0	0	0	0	113	L377 F381 L395 H397 N403 L435 I439	L377-A399 HydrophobicContact CD1-CB 4.14Å; F381-A399 HydrophobicContact CE2-CB 3.62Å; F381-A399 HydrophobicContact CZ-CB 3.76Å; L395-A399 WeakPolarHBondContact O-CB 3.05Å; L395-A399 PolarHBondContact O-N 2.85Å; H397-A399 VanDerWaalsContact C-N 3.33Å; H397-A399 PolarHBondContact O-N 3.42Å; A399-N403 WeakPolarHBondContact O-CB 3.45Å; A399-N403 PolarHBondContact O-N 2.99Å; A399-L435 HydrophobicContact CB-CD1 4.35Å; A399-I439 HydrophobicContact CB-CD1 3.89Å; A399-I439 HydrophobicContact CB-CG1 4.03Å; A399-I439 WeakPolarHBondContact O-CD1 3.45Å
400	K	97.6	Very high	95.3	Very high	80 Å²	80	37 Å²	37	35%	0.348	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-44.3	173.1	-79	170	173.8	-169.9	0	111.7	I396 H397 G398 G404 I439 E443	I396-K400 VanDerWaalsContact O-CG 3.29Å; I396-K400 WeakPolarHBondContact O-CG 3.44Å; I396-K400 PolarHBondContact O-N 3.28Å; I396-K400 VanDerWaalsContact O-N 3.11Å; H397-K400 WeakPolarHBondContact O-CB 3.48Å; H397-K400 PolarHBondContact O-N 2.9Å; H397-K400 VanDerWaalsContact O-N 3.09Å; G398-K400 VanDerWaalsContact C-N 3.32Å; G398-K400 PolarHBondContact O-N 3.06Å; K400-G404 PolarHBondContact O-N 3.22Å; K400-I439 HydrophobicContact CD-CG2 4.4Å; K400-I439 HydrophobicContact CG-CD1 4.42Å; K400-I439 HydrophobicContact CG-CG2 3.64Å; K400-E443 WeakPolarHBondContact CE-OE1 3.32Å; K400-E443 IonicContact NZ-OE1 2.62Å; K400-E443 PolarHBondContact NZ-OE1 3.32Å; K400-E443 IonicContact NZ-OE2 3.88Å; K400-E443 PolarHBondContact NZ-OE2 3.18Å
401	I	97.6	Very high	95.5	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.205	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-50.9	-178	-64.4	159.3	0	0	0	110	E343 M346 H397 G398 N403 G404 A405	E343-I401 HydrophobicContact CB-CD1 3.58Å; E343-I401 HydrophobicContact CG-CD1 3.76Å; M346-I401 HydrophobicContact CB-CG2 4.21Å; M346-I401 HydrophobicContact CG-CG2 3.8Å; H397-I401 WeakPolarHBondContact O-CG1 3.48Å; H397-I401 PolarHBondContact O-N 2.83Å; H397-I401 VanDerWaalsContact O-N 3.13Å; G398-I401 PolarHBondContact O-N 3.48Å; I401-N403 PolarHBondContact O-N 2.97Å; I401-G404 CarbonylContact O-C 3.57Å; I401-G404 VanDerWaalsContact O-CA 3.26Å; I401-G404 WeakPolarHBondContact O-CA 3.28Å; I401-G404 PolarHBondContact O-N 3.07Å; I401-A405 PolarHBondContact O-N 3.04Å
402	I	97.6	Very high	95.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-47.2	176.8	-70	166.6	0	0	0	111.1	W217 V342 V373 L377 G398 G404 A405 F406	W217-I402 HydrophobicContact CH2-CD1 4.24Å; W217-I402 HydrophobicContact CZ2-CD1 4.28Å; V342-I402 HydrophobicContact CG1-CD1 3.81Å; V342-I402 HydrophobicContact CG1-CG1 3.75Å; V373-I402 HydrophobicContact CG1-CD1 3.77Å; L377-I402 HydrophobicContact CD1-CD1 4Å; G398-I402 WeakPolarHBondContact O-CG1 3.45Å; G398-I402 PolarHBondContact O-N 3.47Å; I402-G404 PolarHBondContact O-N 3.06Å; I402-A405 PolarHBondContact O-N 3.24Å; I402-F406 HydrophobicContact CG2-CD1 4.27Å; I402-F406 HydrophobicContact CG2-CD2 4.23Å; I402-F406 HydrophobicContact CG2-CE1 3.63Å; I402-F406 HydrophobicContact CG2-CE2 3.59Å; I402-F406 HydrophobicContact CG2-CZ 3.25Å; I402-F406 WeakPolarHBondContact O-CD1 3.38Å; I402-F406 WeakPolarHBondContact O-CG 3.48Å; I402-F406 PolarHBondContact O-N 3.13Å
403	N	97.7	Very high	95.2	Very high	16 Å²	16	55.8 Å²	55.8	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-17.3	174	168.6	71	0	0	0	113.3	A399 I401 R407 I432 L435 I439	A399-N403 WeakPolarHBondContact O-CB 3.45Å; A399-N403 PolarHBondContact O-N 2.99Å; I401-N403 PolarHBondContact O-N 2.97Å; N403-R407 PolarHBondContact ND2-NE 3.22Å; N403-R407 WeakPolarHBondContact O-CD 3.13Å; N403-R407 WeakPolarHBondContact O-CG 3.31Å; N403-R407 PolarHBondContact O-NE 3.02Å; N403-R407 PolarHBondContact OD1-NE 3.48Å; N403-I432 PolarHBondContact OD1-O 2.7Å; N403-L435 HydrophobicContact CB-CD2 3.92Å; N403-L435 HydrophobicContact CB-CG 4.13Å; N403-I439 HydrophobicContact CB-CD1 4.16Å
404	G	97.3	Very high	94.9	Very high	36 Å²	36	51.8 Å²	51.8	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-77.8	-48.4	169.2	0	0	0	0	0	112	K400 I401 I402 R407 A408	K400-G404 PolarHBondContact O-N 3.22Å; I401-G404 CarbonylContact O-C 3.57Å; I401-G404 VanDerWaalsContact O-CA 3.26Å; I401-G404 WeakPolarHBondContact O-CA 3.28Å; I401-G404 PolarHBondContact O-N 3.07Å; I402-G404 PolarHBondContact O-N 3.06Å; G404-R407 CarbonylContact O-C 3.54Å; G404-R407 WeakPolarHBondContact O-CA 3.39Å; G404-R407 WeakPolarHBondContact O-CB 3.36Å; G404-R407 PolarHBondContact O-N 3.05Å; G404-A408 PolarHBondContact O-N 3.35Å; G404-A408 VanDerWaalsContact O-N 3.09Å
405	A	96.3	Very high	94.7	Very high	14 Å²	14	51.8 Å²	51.8	12%	0.116	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-49.5	175.5	0	0	0	0	0	111.4	M346 I401 I402 R407 A408 W409	M346-A405 HydrophobicContact CE-CB 3.67Å; I401-A405 PolarHBondContact O-N 3.04Å; I402-A405 PolarHBondContact O-N 3.24Å; A405-R407 PolarHBondContact O-N 3.01Å; A405-A408 WeakPolarHBondContact O-CA 3.38Å; A405-A408 WeakPolarHBondContact O-CB 3.44Å; A405-A408 PolarHBondContact O-N 3.32Å; A405-W409 HydrophobicContact CB-CD2 4.27Å; A405-W409 HydrophobicContact CB-CE3 4.42Å; A405-W409 HydrophobicContact CB-CH2 4Å; A405-W409 HydrophobicContact CB-CZ2 3.83Å; A405-W409 HydrophobicContact CB-CZ3 4.29Å; A405-W409 VanDerWaalsContact O-CG 3.24Å; A405-W409 PolarHBondContact O-N 3.28Å
406	F	96.8	Very high	94.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-52	-34	172.5	-64.1	-15.5	0	0	0	113.2	C370 W371 I402 W409 T410 L431 I432 L435	C370-F406 HydrophobicContact CB-CE1 4.36Å; C370-F406 WeakPolarHBondContact O-CZ 3.19Å; W371-F406 AromaticContact CD2-CD1 3.88Å; W371-F406 HydrophobicContact CD2-CD1 3.88Å; W371-F406 AromaticContact CD2-CE1 3.58Å; W371-F406 HydrophobicContact CD2-CE1 3.58Å; W371-F406 HydrophobicContact CD2-CZ 4.08Å; W371-F406 AromaticContact CE2-CD1 3.99Å; W371-F406 AromaticContact CE3-CD1 3.61Å; W371-F406 HydrophobicContact CE3-CD1 3.61Å; W371-F406 HydrophobicContact CE3-CD2 4.03Å; W371-F406 AromaticContact CE3-CE1 3.39Å; W371-F406 HydrophobicContact CE3-CE1 3.39Å; W371-F406 AromaticContact CE3-CE2 3.83Å; W371-F406 HydrophobicContact CE3-CE2 3.83Å; W371-F406 AromaticContact CE3-CG 3.93Å; W371-F406 HydrophobicContact CE3-CG 3.93Å; W371-F406 AromaticContact CE3-CZ 3.5Å; W371-F406 HydrophobicContact CE3-CZ 3.5Å; W371-F406 HydrophobicContact CG-CE1 4.11Å; W371-F406 HydrophobicContact CH2-CB 3.66Å; W371-F406 AromaticContact CH2-CD1 3.63Å; W371-F406 HydrophobicContact CH2-CD1 3.63Å; W371-F406 HydrophobicContact CH2-CD2 4.25Å; W371-F406 HydrophobicContact CH2-CE1 4.29Å; W371-F406 AromaticContact CH2-CG 3.6Å; W371-F406 HydrophobicContact CH2-CG 3.6Å; W371-F406 HydrophobicContact CZ2-CB 4.44Å; W371-F406 AromaticContact CZ2-CD1 3.89Å; W371-F406 HydrophobicContact CZ2-CD1 3.89Å; W371-F406 HydrophobicContact CZ2-CE1 4.45Å; W371-F406 HydrophobicContact CZ2-CG 4.31Å; W371-F406 HydrophobicContact CZ3-CB 3.89Å; W371-F406 AromaticContact CZ3-CD1 3.5Å; W371-F406 HydrophobicContact CZ3-CD1 3.5Å; W371-F406 VanDerWaalsContact CZ3-CD1 3.5Å; W371-F406 AromaticContact CZ3-CD2 3.58Å; W371-F406 HydrophobicContact CZ3-CD2 3.58Å; W371-F406 AromaticContact CZ3-CE1 3.79Å; W371-F406 HydrophobicContact CZ3-CE1 3.79Å; W371-F406 AromaticContact CZ3-CE2 3.87Å; W371-F406 HydrophobicContact CZ3-CE2 3.87Å; W371-F406 AromaticContact CZ3-CG 3.39Å; W371-F406 HydrophobicContact CZ3-CG 3.39Å; W371-F406 AromaticContact CZ3-CZ 3.96Å; W371-F406 HydrophobicContact CZ3-CZ 3.96Å; I402-F406 HydrophobicContact CG2-CD1 4.27Å; I402-F406 HydrophobicContact CG2-CD2 4.23Å; I402-F406 HydrophobicContact CG2-CE1 3.63Å; I402-F406 HydrophobicContact CG2-CE2 3.59Å; I402-F406 HydrophobicContact CG2-CZ 3.25Å; I402-F406 WeakPolarHBondContact O-CD1 3.38Å; I402-F406 WeakPolarHBondContact O-CG 3.48Å; I402-F406 PolarHBondContact O-N 3.13Å; F406-W409 AromaticContact CD1-CE3 3.78Å; F406-W409 HydrophobicContact CD1-CE3 3.78Å; F406-W409 AromaticContact CD1-CZ3 3.7Å; F406-W409 HydrophobicContact CD1-CZ3 3.7Å; F406-W409 HydrophobicContact CE1-CE3 4.44Å; F406-W409 AromaticContact CE1-CZ3 3.95Å; F406-W409 HydrophobicContact CE1-CZ3 3.95Å; F406-T410 WeakPolarHBondContact O-CB 3.44Å; F406-T410 WeakPolarHBondContact O-CG2 3.2Å; F406-T410 PolarHBondContact O-N 2.91Å; F406-T410 VanDerWaalsContact O-N 3.11Å; F406-T410 PolarHBondContact O-OG1 3.41Å; F406-L431 HydrophobicContact CE2-CD2 3.89Å; F406-L431 HydrophobicContact CE2-CG 4.21Å; F406-L431 HydrophobicContact CZ-CD2 4.39Å; F406-I432 HydrophobicContact CB-CD1 3.83Å; F406-I432 HydrophobicContact CB-CG1 3.67Å; F406-I432 HydrophobicContact CD2-CG1 4.15Å; F406-I432 HydrophobicContact CG-CG1 4.38Å; F406-L435 HydrophobicContact CE2-CD2 4.2Å
407	R	96	Very high	93.9	Very high	107 Å²	107	64.1 Å²	64.1	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-83.5	-12.5	177.9	-68.2	164.8	-175.9	-88.8	-8.8	113.7	N403 G404 A405 K411 I432	N403-R407 PolarHBondContact ND2-NE 3.22Å; N403-R407 WeakPolarHBondContact O-CD 3.13Å; N403-R407 WeakPolarHBondContact O-CG 3.31Å; N403-R407 PolarHBondContact O-NE 3.02Å; N403-R407 PolarHBondContact OD1-NE 3.48Å; G404-R407 CarbonylContact O-C 3.54Å; G404-R407 WeakPolarHBondContact O-CA 3.39Å; G404-R407 WeakPolarHBondContact O-CB 3.36Å; G404-R407 PolarHBondContact O-N 3.05Å; A405-R407 PolarHBondContact O-N 3.01Å; R407-K411 WeakPolarHBondContact O-CE 3.38Å; R407-K411 WeakPolarHBondContact O-CG 3.5Å; R407-I432 HydrophobicContact CG-CG2 3.61Å; R407-I432 VanDerWaalsContact NH2-CG2 3.26Å; R407-I432 PolarHBondContact NH2-O 2.89Å
408	A	94.9	Very high	93.6	Very high	37 Å²	37	60.8 Å²	60.8	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-83.8	-54.7	167.6	0	0	0	0	0	109.6	G404 A405 T410 K411	G404-A408 PolarHBondContact O-N 3.35Å; G404-A408 VanDerWaalsContact O-N 3.09Å; A405-A408 WeakPolarHBondContact O-CA 3.38Å; A405-A408 WeakPolarHBondContact O-CB 3.44Å; A405-A408 PolarHBondContact O-N 3.32Å; A408-T410 PolarHBondContact O-N 3.35Å; A408-K411 WeakPolarHBondContact O-CB 3.22Å; A408-K411 WeakPolarHBondContact O-CD 3.48Å; A408-K411 VanDerWaalsContact O-CG 3.27Å; A408-K411 WeakPolarHBondContact O-CG 3.32Å; A408-K411 PolarHBondContact O-N 3.27Å; A408-K411 VanDerWaalsContact O-N 3.14Å
409	W	94.9	Very high	93.2	Very high	17 Å²	17	65.5 Å²	65.5	6%	0.064	33%	0.327	C	S	.	.	H	α-helix	trans	-55.8	-47.9	-179.5	-56.6	-27.8	0	0	0	112.4	M346 Y349 E367 C370 W371 A405 F406 K411 L415 H418	M346-W409 HydrophobicContact CE-CH2 4.27Å; M346-W409 HydrophobicContact CE-CZ2 3.81Å; Y349-W409 HydrophobicContact CE1-CZ2 4.39Å; E367-W409 HydrophobicContact CB-CE3 4.38Å; E367-W409 HydrophobicContact CB-CH2 3.83Å; E367-W409 HydrophobicContact CB-CZ2 4.3Å; E367-W409 HydrophobicContact CB-CZ3 3.86Å; E367-W409 VanDerWaalsContact CD-CZ2 3.4Å; E367-W409 HydrophobicContact CG-CH2 3.62Å; E367-W409 HydrophobicContact CG-CZ2 3.6Å; E367-W409 HydrophobicContact CG-CZ3 4.08Å; E367-W409 VanDerWaalsContact OE1-CZ2 3.24Å; E367-W409 WeakPolarHBondContact OE1-CZ2 3.46Å; E367-W409 PolarHBondContact OE1-NE1 3.18Å; C370-W409 HydrophobicContact CB-CH2 3.91Å; C370-W409 HydrophobicContact CB-CZ3 4.05Å; W371-W409 HydrophobicContact CZ2-CE3 4.2Å; A405-W409 HydrophobicContact CB-CD2 4.27Å; A405-W409 HydrophobicContact CB-CE3 4.42Å; A405-W409 HydrophobicContact CB-CH2 4Å; A405-W409 HydrophobicContact CB-CZ2 3.83Å; A405-W409 HydrophobicContact CB-CZ3 4.29Å; A405-W409 VanDerWaalsContact O-CG 3.24Å; A405-W409 PolarHBondContact O-N 3.28Å; F406-W409 AromaticContact CD1-CE3 3.78Å; F406-W409 HydrophobicContact CD1-CE3 3.78Å; F406-W409 AromaticContact CD1-CZ3 3.7Å; F406-W409 HydrophobicContact CD1-CZ3 3.7Å; F406-W409 HydrophobicContact CE1-CE3 4.44Å; F406-W409 AromaticContact CE1-CZ3 3.95Å; F406-W409 HydrophobicContact CE1-CZ3 3.95Å; W409-K411 PolarHBondContact O-N 3.13Å; W409-L415 WeakPolarHBondContact O-CA 3.41Å; W409-L415 PolarHBondContact O-N 3.28Å; W409-H418 HydrophobicContact CB-CB 3.95Å; W409-H418 AromaticContact CD1-CD2 3.79Å; W409-H418 AromaticContact CD1-CE1 3.21Å; W409-H418 AromaticContact CD1-CG 3.85Å; W409-H418 AromaticContact CD1-ND1 3.49Å; W409-H418 AromaticContact CD1-NE2 3.41Å; W409-H418 HydrophobicContact CG-CB 4.49Å; W409-H418 AromaticContact CG-ND1 3.85Å; W409-H418 AromaticContact NE1-CE1 3.48Å; W409-H418 PolarHBondContact NE1-CE1 2.66Å; W409-H418 AromaticContact NE1-ND1 3.89Å
410	T	93.5	Very high	92.8	Very high	50 Å²	50	72.5 Å²	72.5	31%	0.307	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	20.9	179.5	73.3	0	0	0	0	115	W371 F406 A408 P428 I432	W371-T410 HydrophobicContact CH2-CG2 3.84Å; W371-T410 HydrophobicContact CZ2-CG2 4.07Å; F406-T410 WeakPolarHBondContact O-CB 3.44Å; F406-T410 WeakPolarHBondContact O-CG2 3.2Å; F406-T410 PolarHBondContact O-N 2.91Å; F406-T410 VanDerWaalsContact O-N 3.11Å; F406-T410 PolarHBondContact O-OG1 3.41Å; A408-T410 PolarHBondContact O-N 3.35Å; T410-P428 HydrophobicContact CG2-CB 3.83Å; T410-I432 HydrophobicContact CG2-CD1 4Å
411	K	93.8	Very high	92.3	Very high	119 Å²	119	70.9 Å²	70.9	52%	0.517	36%	0.358	S	S	.	.	S	Bend	trans	-80.6	142.5	169	-69	171.1	-175.1	163.5	0	109.3	R407 A408 W409 Q413 A414 L415	R407-K411 WeakPolarHBondContact O-CE 3.38Å; R407-K411 WeakPolarHBondContact O-CG 3.5Å; A408-K411 WeakPolarHBondContact O-CB 3.22Å; A408-K411 WeakPolarHBondContact O-CD 3.48Å; A408-K411 VanDerWaalsContact O-CG 3.27Å; A408-K411 WeakPolarHBondContact O-CG 3.32Å; A408-K411 PolarHBondContact O-N 3.27Å; A408-K411 VanDerWaalsContact O-N 3.14Å; W409-K411 PolarHBondContact O-N 3.13Å; K411-Q413 PolarHBondContact O-N 2.77Å; K411-A414 HydrophobicContact CB-CB 4.48Å; K411-A414 PolarHBondContact O-N 3.43Å; K411-L415 WeakPolarHBondContact O-CB 3.43Å; K411-L415 PolarHBondContact O-N 3.27Å
412	K	89.1	Confident	91.9	Very high	201 Å²	201	70.7 Å²	70.7	87%	0.874	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-29.8	179.6	-71.6	-167	172.3	-164.5	0	115.9
413	Q	88.3	Confident	91.6	Very high	183 Å²	183	71.3 Å²	71.3	86%	0.855	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-26	179.4	-69	172	-64.2	0	0	113.2	K411	K411-Q413 PolarHBondContact O-N 2.77Å
414	A	87.6	Confident	90.8	Very high	21 Å²	21	78 Å²	78	17%	0.174	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-24.2	-176.9	0	0	0	0	0	112.1	K411 L416 E417 H418	K411-A414 HydrophobicContact CB-CB 4.48Å; K411-A414 PolarHBondContact O-N 3.43Å; A414-L416 PolarHBondContact O-N 3.26Å; A414-E417 WeakPolarHBondContact O-CB 3.19Å; A414-E417 PolarHBondContact O-N 3.09Å; A414-H418 PolarHBondContact O-CD2 3.21Å
415	L	88.7	Confident	90.1	Very high	56 Å²	56	83.3 Å²	83.3	29%	0.293	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-51.6	-38	-173.6	-177.1	64.1	0	0	0	113.1	W409 K411 E417 H418 E419	W409-L415 WeakPolarHBondContact O-CA 3.41Å; W409-L415 PolarHBondContact O-N 3.28Å; K411-L415 WeakPolarHBondContact O-CB 3.43Å; K411-L415 PolarHBondContact O-N 3.27Å; L415-E417 PolarHBondContact O-N 2.95Å; L415-H418 CarbonylContact O-C 3.57Å; L415-H418 PolarHBondContact O-N 2.74Å; L415-E419 HydrophobicContact CD1-CB 4.24Å; L415-E419 HydrophobicContact CG-CB 4.39Å; L415-E419 WeakPolarHBondContact O-CB 3.41Å; L415-E419 PolarHBondContact O-N 2.84Å
416	L	88	Confident	89.7	Confident	147 Å²	147	83.8 Å²	83.8	77%	0.77	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-63.1	-18.8	177.3	-63.8	172.9	0	0	0	114.4	A414	A414-L416 PolarHBondContact O-N 3.26Å
417	E	86.9	Confident	89.5	Confident	128 Å²	128	91.5 Å²	91.5	60%	0.598	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-95.4	-4.3	174	-57.7	-179.9	-162.7	0	0	113	K353 A414 L415	K353-E417 VanDerWaalsContact CE-OE2 3.26Å; K353-E417 WeakPolarHBondContact CE-OE2 3.36Å; K353-E417 IonicContact NZ-OE2 3.94Å; K353-E417 PolarHBondContact NZ-OE2 2.82Å; A414-E417 WeakPolarHBondContact O-CB 3.19Å; A414-E417 PolarHBondContact O-N 3.09Å; L415-E417 PolarHBondContact O-N 2.95Å
418	H	89.4	Confident	89.4	Confident	19 Å²	19	87.6 Å²	87.6	9%	0.088	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140	4.3	-163	-66.9	-69.8	0	0	0	113.8	K353 E367 W409 A414 L415	K353-H418 PolarHBondContact NZ-CE1 2.63Å; K353-H418 PolarHBondContact NZ-NE2 2.93Å; E367-H418 IonicContact OE1-CE1 2.69Å; E367-H418 PolarHBondContact OE1-CE1 3.47Å; E367-H418 IonicContact OE1-ND1 2.71Å; E367-H418 PolarHBondContact OE1-ND1 2.85Å; E367-H418 IonicContact OE2-CE1 2.73Å; E367-H418 IonicContact OE2-CG 3.96Å; E367-H418 IonicContact OE2-ND1 3.48Å; E367-H418 PolarHBondContact OE2-ND1 3.26Å; W409-H418 HydrophobicContact CB-CB 3.95Å; W409-H418 AromaticContact CD1-CD2 3.79Å; W409-H418 AromaticContact CD1-CE1 3.21Å; W409-H418 AromaticContact CD1-CG 3.85Å; W409-H418 AromaticContact CD1-ND1 3.49Å; W409-H418 AromaticContact CD1-NE2 3.41Å; W409-H418 HydrophobicContact CG-CB 4.49Å; W409-H418 AromaticContact CG-ND1 3.85Å; W409-H418 AromaticContact NE1-CE1 3.48Å; W409-H418 PolarHBondContact NE1-CE1 2.66Å; W409-H418 AromaticContact NE1-ND1 3.89Å; A414-H418 PolarHBondContact O-CD2 3.21Å; L415-H418 CarbonylContact O-C 3.57Å; L415-H418 PolarHBondContact O-N 2.74Å
419	E	88.8	Confident	89.4	Confident	104 Å²	104	89.6 Å²	89.6	49%	0.486	45%	0.446	S	S	.	.	S	Bend	trans	-82.6	-33.1	-178.6	-170.6	152	-154.1	0	0	111.8	L415 E421 L422	L415-E419 HydrophobicContact CD1-CB 4.24Å; L415-E419 HydrophobicContact CG-CB 4.39Å; L415-E419 WeakPolarHBondContact O-CB 3.41Å; L415-E419 PolarHBondContact O-N 2.84Å; E419-E421 PolarHBondContact O-N 3.24Å; E419-L422 WeakPolarHBondContact O-CB 3.39Å; E419-L422 PolarHBondContact O-N 3.28Å
420	D	87.1	Confident	89.5	Confident	147 Å²	147	93.4 Å²	93.4	79%	0.786	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.8	-178.9	-59.8	-36.8	0	0	0	113.7	L422	D420-L422 VanDerWaalsContact C-N 3.28Å; D420-L422 PolarHBondContact O-N 3.24Å
421	E	88.4	Confident	89.6	Confident	45 Å²	45	91.6 Å²	91.6	21%	0.21	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3	174.5	-82.7	-141.5	-122.7	0	0	113.7	N365 F366 E367 T368 E419 P423	N365-E421 WeakPolarHBondContact CA-OE2 3.41Å; F366-E421 PolarHBondContact N-OE2 3.06Å; E367-E421 WeakPolarHBondContact CA-OE2 3.48Å; E367-E421 HydrophobicContact CB-CB 4.01Å; E367-E421 HydrophobicContact CB-CG 4.49Å; E367-E421 PolarHBondContact N-OE2 3.49Å; T368-E421 WeakPolarHBondContact CA-O 3.33Å; T368-E421 PolarHBondContact N-OE2 3.24Å; T368-E421 PolarHBondContact OG1-O 3.02Å; T368-E421 PolarHBondContact OG1-OE2 2.87Å; E419-E421 PolarHBondContact O-N 3.24Å; E421-P423 WeakPolarHBondContact O-CD 3.48Å
422	L	89.9	Confident	89.8	Confident	37 Å²	37	86.4 Å²	86.4	19%	0.194	43%	0.431	C	S	.	.	S	Bend	trans	-85.5	121.8	179	178.1	66.4	0	0	0	111.1	W371 E419 D420 E424 M426 P428	W371-L422 HydrophobicContact CD2-CD1 3.79Å; W371-L422 HydrophobicContact CE3-CD1 4.3Å; W371-L422 HydrophobicContact CG-CD1 4.16Å; W371-L422 HydrophobicContact CH2-CD1 4.43Å; W371-L422 HydrophobicContact CZ2-CD1 3.92Å; E419-L422 WeakPolarHBondContact O-CB 3.39Å; E419-L422 PolarHBondContact O-N 3.28Å; D420-L422 VanDerWaalsContact C-N 3.28Å; D420-L422 PolarHBondContact O-N 3.24Å; L422-E424 PolarHBondContact O-N 3.3Å; L422-E424 VanDerWaalsContact O-N 3.14Å; L422-M426 HydrophobicContact CD1-CB 4.45Å; L422-P428 HydrophobicContact CD1-CG 3.63Å; L422-P428 HydrophobicContact CD2-CG 3.45Å; L422-P428 VanDerWaalsContact CD2-CG 3.45Å; L422-P428 HydrophobicContact CG-CG 4.18Å
423	P	89.4	Confident	90.2	Very high	13 Å²	13	83 Å²	83	8%	0.084	42%	0.416	C	S	.	.			trans	-61.4	119.7	174.9	-21.8	32	0	0	0	111.9	T368 W371 Y372 E421 N425 M426	T368-P423 HydrophobicContact CG2-CG 3.86Å; W371-P423 HydrophobicContact CB-CG 4.02Å; Y372-P423 HydrophobicContact CD1-CG 4.32Å; Y372-P423 HydrophobicContact CE1-CB 3.89Å; Y372-P423 HydrophobicContact CE1-CG 3.78Å; Y372-P423 HydrophobicContact CE2-CG 4.37Å; E421-P423 WeakPolarHBondContact O-CD 3.48Å; P423-N425 PolarHBondContact O-N 3.18Å; P423-M426 HydrophobicContact CB-CB 4.36Å; P423-M426 HydrophobicContact CG-CE 4.4Å; P423-M426 WeakPolarHBondContact O-CA 3.35Å; P423-M426 WeakPolarHBondContact O-CB 3.38Å; P423-M426 PolarHBondContact O-N 3.14Å
424	E	82.1	Confident	90.7	Very high	156 Å²	156	76.1 Å²	76.1	73%	0.729	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-41.2	-174.9	-61.1	-176.8	172.8	0	0	114.3	L227 L422 M426	L227-E424 VanDerWaalsContact CD1-CD 3.48Å; L227-E424 HydrophobicContact CD1-CG 4.33Å; L227-E424 WeakPolarHBondContact CD1-OE2 3.46Å; L422-E424 PolarHBondContact O-N 3.3Å; L422-E424 VanDerWaalsContact O-N 3.14Å; E424-M426 PolarHBondContact O-N 3.48Å
425	N	81.4	Confident	91.1	Very high	149 Å²	149	75.1 Å²	75.1	80%	0.797	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-2.5	-178.6	-75.8	-56.1	0	0	0	113.8	P423	P423-N425 PolarHBondContact O-N 3.18Å
426	M	89.3	Confident	91.5	Very high	24 Å²	24	72.9 Å²	72.9	12%	0.118	37%	0.366	C	S	.	.			trans	-91.8	152.7	-178.8	-163.4	161.4	-64.9	0	0	112.5	W371 Y372 R375 L422 P423 E424 L431	W371-M426 HydrophobicContact CB-CE 4.11Å; W371-M426 HydrophobicContact CB-SD 3.81Å; W371-M426 HydrophobicContact CD2-SD 4.11Å; W371-M426 HydrophobicContact CE3-SD 3.6Å; W371-M426 HydrophobicContact CG-SD 4.23Å; W371-M426 HydrophobicContact CZ3-SD 4.5Å; Y372-M426 HydrophobicContact CD1-CE 4.34Å; R375-M426 HydrophobicContact CB-CE 4.1Å; L422-M426 HydrophobicContact CD1-CB 4.45Å; P423-M426 HydrophobicContact CB-CB 4.36Å; P423-M426 HydrophobicContact CG-CE 4.4Å; P423-M426 WeakPolarHBondContact O-CA 3.35Å; P423-M426 WeakPolarHBondContact O-CB 3.38Å; P423-M426 PolarHBondContact O-N 3.14Å; E424-M426 PolarHBondContact O-N 3.48Å; M426-L431 HydrophobicContact CE-CD2 4.39Å; M426-L431 HydrophobicContact CG-CD2 4.26Å; M426-L431 HydrophobicContact SD-CD2 3.4Å; M426-L431 WeakPolarHBondContact SD-CD2 3.42Å
427	K	92.9	Very high	92	Very high	161 Å²	161	71.3 Å²	71.3	70%	0.7	35%	0.353	S	S	*	.			trans	-119.3	88.2	176.1	-68	179.3	-180	174.9	0	109.1	S429 Q430 L431	K427-S429 PolarHBondContact O-N 3.01Å; K427-Q430 HydrophobicContact CB-CB 4.02Å; K427-Q430 WeakPolarHBondContact O-CA 3.48Å; K427-Q430 WeakPolarHBondContact O-CB 3.47Å; K427-Q430 PolarHBondContact O-N 3.03Å; K427-L431 PolarHBondContact O-N 3.12Å
428	P	93.7	Very high	92.4	Very high	25 Å²	25	65.6 Å²	65.6	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-54.4	-50.4	-170	-25.3	31	0	0	0	112.4	W371 T410 L422 Q430 L431 I432	W371-P428 HydrophobicContact CH2-CB 3.83Å; W371-P428 HydrophobicContact CH2-CG 4.43Å; W371-P428 HydrophobicContact CZ3-CB 4.12Å; T410-P428 HydrophobicContact CG2-CB 3.83Å; L422-P428 HydrophobicContact CD1-CG 3.63Å; L422-P428 HydrophobicContact CD2-CG 3.45Å; L422-P428 VanDerWaalsContact CD2-CG 3.45Å; L422-P428 HydrophobicContact CG-CG 4.18Å; P428-Q430 PolarHBondContact O-N 2.88Å; P428-L431 PolarHBondContact O-N 3.11Å; P428-I432 HydrophobicContact CB-CD1 4.3Å; P428-I432 VanDerWaalsContact O-CB 3.26Å; P428-I432 WeakPolarHBondContact O-CB 3.36Å; P428-I432 WeakPolarHBondContact O-CD1 3.43Å; P428-I432 WeakPolarHBondContact O-CG1 3.36Å; P428-I432 PolarHBondContact O-N 3.12Å
429	S	94.3	Very high	92.7	Very high	80 Å²	80	65 Å²	65	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-60.1	-18.3	178.1	-91.2	0	0	0	0	114.9	K427 K433	K427-S429 PolarHBondContact O-N 3.01Å; S429-K433 WeakPolarHBondContact O-CD 3.27Å; S429-K433 WeakPolarHBondContact O-CE 3.49Å; S429-K433 VanDerWaalsContact O-CG 3.24Å; S429-K433 WeakPolarHBondContact O-CG 3.34Å; S429-K433 PolarHBondContact O-NZ 2.81Å
430	Q	96.3	Very high	93	Very high	96 Å²	96	68 Å²	68	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-91.8	-48.6	173.1	-175.8	59.3	29.5	0	0	110.8	K427 P428 I432 K433 D434	K427-Q430 HydrophobicContact CB-CB 4.02Å; K427-Q430 WeakPolarHBondContact O-CA 3.48Å; K427-Q430 WeakPolarHBondContact O-CB 3.47Å; K427-Q430 PolarHBondContact O-N 3.03Å; P428-Q430 PolarHBondContact O-N 2.88Å; Q430-I432 PolarHBondContact O-N 3.1Å; Q430-K433 PolarHBondContact O-N 3.47Å; Q430-K433 VanDerWaalsContact O-N 3.09Å; Q430-D434 PolarHBondContact NE2-OD1 3.07Å; Q430-D434 PolarHBondContact O-N 2.78Å
431	L	96.8	Very high	93.2	Very high	12 Å²	12	64 Å²	64	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-55.9	-48.7	177.6	175.8	55.7	0	0	0	111.5	W371 L378 F406 M426 K427 P428 K433 D434 L435	W371-L431 HydrophobicContact CE3-CD2 3.94Å; W371-L431 HydrophobicContact CZ3-CD2 4.21Å; L378-L431 HydrophobicContact CB-CD1 4.08Å; L378-L431 HydrophobicContact CD2-CD1 3.58Å; L378-L431 HydrophobicContact CG-CD1 4.48Å; F406-L431 HydrophobicContact CE2-CD2 3.89Å; F406-L431 HydrophobicContact CE2-CG 4.21Å; F406-L431 HydrophobicContact CZ-CD2 4.39Å; M426-L431 HydrophobicContact CE-CD2 4.39Å; M426-L431 HydrophobicContact CG-CD2 4.26Å; M426-L431 HydrophobicContact SD-CD2 3.4Å; M426-L431 WeakPolarHBondContact SD-CD2 3.42Å; K427-L431 PolarHBondContact O-N 3.12Å; P428-L431 PolarHBondContact O-N 3.11Å; L431-K433 PolarHBondContact O-N 2.94Å; L431-D434 PolarHBondContact O-N 2.86Å; L431-L435 HydrophobicContact CD1-CB 4.38Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3Å
432	I	97.4	Very high	93.4	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-58	-33.2	177.5	-69.8	168.8	0	0	0	112.4	W371 N403 F406 R407 T410 P428 Q430 A436	W371-I432 HydrophobicContact CH2-CD1 4.26Å; N403-I432 PolarHBondContact OD1-O 2.7Å; F406-I432 HydrophobicContact CB-CD1 3.83Å; F406-I432 HydrophobicContact CB-CG1 3.67Å; F406-I432 HydrophobicContact CD2-CG1 4.15Å; F406-I432 HydrophobicContact CG-CG1 4.38Å; R407-I432 HydrophobicContact CG-CG2 3.61Å; R407-I432 VanDerWaalsContact NH2-CG2 3.26Å; R407-I432 PolarHBondContact NH2-O 2.89Å; T410-I432 HydrophobicContact CG2-CD1 4Å; P428-I432 HydrophobicContact CB-CD1 4.3Å; P428-I432 VanDerWaalsContact O-CB 3.26Å; P428-I432 WeakPolarHBondContact O-CB 3.36Å; P428-I432 WeakPolarHBondContact O-CD1 3.43Å; P428-I432 WeakPolarHBondContact O-CG1 3.36Å; P428-I432 PolarHBondContact O-N 3.12Å; Q430-I432 PolarHBondContact O-N 3.1Å; I432-A436 VanDerWaalsContact O-CB 3.23Å; I432-A436 WeakPolarHBondContact O-CB 3.49Å; I432-A436 PolarHBondContact O-N 3.34Å
433	K	97.6	Very high	93.4	Very high	130 Å²	130	62.5 Å²	62.5	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-80.6	-45.5	179.1	-70.9	173.7	-166.1	159.2	0	111.6	S429 Q430 L431 K437	S429-K433 WeakPolarHBondContact O-CD 3.27Å; S429-K433 WeakPolarHBondContact O-CE 3.49Å; S429-K433 VanDerWaalsContact O-CG 3.24Å; S429-K433 WeakPolarHBondContact O-CG 3.34Å; S429-K433 PolarHBondContact O-NZ 2.81Å; Q430-K433 PolarHBondContact O-N 3.47Å; Q430-K433 VanDerWaalsContact O-N 3.09Å; L431-K433 PolarHBondContact O-N 2.94Å; K433-K437 WeakPolarHBondContact O-CB 3.41Å; K433-K437 PolarHBondContact O-N 2.76Å
434	D	97.6	Very high	93.3	Very high	37 Å²	37	66.7 Å²	66.7	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-68.4	-44.1	-179.2	-92.4	20.9	0	0	0	112.1	L378 K382 Q430 L431 K437 E438	L378-D434 HydrophobicContact CD1-CB 3.87Å; L378-D434 HydrophobicContact CD2-CB 3.58Å; L378-D434 HydrophobicContact CG-CB 4.39Å; K382-D434 IonicContact NZ-OD2 2.8Å; K382-D434 PolarHBondContact NZ-OD2 2.81Å; Q430-D434 PolarHBondContact NE2-OD1 3.07Å; Q430-D434 PolarHBondContact O-N 2.78Å; L431-D434 PolarHBondContact O-N 2.86Å; D434-K437 WeakPolarHBondContact O-CB 3.45Å; D434-K437 PolarHBondContact O-N 2.71Å; D434-K437 VanDerWaalsContact O-N 3.09Å; D434-E438 PolarHBondContact O-N 2.69Å
435	L	97.4	Very high	93.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-45.1	177.6	-176.4	54.4	0	0	0	110.9	L377 L378 A399 N403 F406 L431 K437 E438 I439	L377-L435 HydrophobicContact CB-CD1 4.48Å; L378-L435 HydrophobicContact CB-CD1 4.18Å; A399-L435 HydrophobicContact CB-CD1 4.35Å; N403-L435 HydrophobicContact CB-CD2 3.92Å; N403-L435 HydrophobicContact CB-CG 4.13Å; F406-L435 HydrophobicContact CE2-CD2 4.2Å; L431-L435 HydrophobicContact CD1-CB 4.38Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3Å; L435-K437 PolarHBondContact O-N 2.66Å; L435-E438 PolarHBondContact O-N 2.89Å; L435-I439 HydrophobicContact CD1-CD1 4.09Å; L435-I439 HydrophobicContact CD1-CG1 4.3Å; L435-I439 HydrophobicContact CG-CD1 3.9Å; L435-I439 WeakPolarHBondContact O-CB 3.13Å; L435-I439 WeakPolarHBondContact O-CD1 3.16Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 3.14Å
436	A	97.4	Very high	93.1	Very high	9 Å²	9	55.5 Å²	55.5	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-27.2	172.8	0	0	0	0	0	113.9	I432 R440	I432-A436 VanDerWaalsContact O-CB 3.23Å; I432-A436 WeakPolarHBondContact O-CB 3.49Å; I432-A436 PolarHBondContact O-N 3.34Å; A436-R440 VanDerWaalsContact O-CD 3.28Å; A436-R440 WeakPolarHBondContact O-CD 3.32Å; A436-R440 WeakPolarHBondContact O-CG 3.46Å; A436-R440 PolarHBondContact O-N 3.24Å
437	K	96.7	Very high	92.4	Very high	115 Å²	115	59.8 Å²	59.8	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-73.7	-50.2	174.8	169.8	175.3	167.9	-81.9	0	111.3	K433 D434 L435 R440 L441	K433-K437 WeakPolarHBondContact O-CB 3.41Å; K433-K437 PolarHBondContact O-N 2.76Å; D434-K437 WeakPolarHBondContact O-CB 3.45Å; D434-K437 PolarHBondContact O-N 2.71Å; D434-K437 VanDerWaalsContact O-N 3.09Å; L435-K437 PolarHBondContact O-N 2.66Å; K437-R440 PolarHBondContact O-N 3Å; K437-L441 HydrophobicContact CG-CD1 3.94Å; K437-L441 WeakPolarHBondContact O-CG 3.35Å; K437-L441 PolarHBondContact O-N 3.34Å
438	E	95.9	Very high	91.4	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-35.5	-179.4	-57.6	-53.1	134.1	0	0	112.1	L378 F381 K382 H385 D434 L435 R440 L441 S442	L378-E438 HydrophobicContact CD1-CB 4.43Å; L378-E438 HydrophobicContact CD1-CG 3.81Å; F381-E438 HydrophobicContact CB-CB 4.02Å; F381-E438 HydrophobicContact CD2-CB 4.44Å; K382-E438 HydrophobicContact CG-CG 3.94Å; H385-E438 IonicContact CE1-OE2 4Å; H385-E438 IonicContact ND1-OE2 3.15Å; H385-E438 PolarHBondContact ND1-OE2 3.43Å; H385-E438 VanDerWaalsContact ND1-OE2 3.12Å; D434-E438 PolarHBondContact O-N 2.69Å; L435-E438 PolarHBondContact O-N 2.89Å; E438-R440 VanDerWaalsContact C-N 3.35Å; E438-R440 PolarHBondContact O-N 3.47Å; E438-L441 PolarHBondContact O-N 3.09Å; E438-L441 WeakPolarHBondContact OE2-CD1 3.24Å; E438-S442 PolarHBondContact O-N 3.22Å; E438-S442 PolarHBondContact O-OG 3.35Å; E438-S442 VanDerWaalsContact O-OG 3.11Å
439	I	95.6	Very high	90	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-53.6	-50.6	169.2	-72.5	164.3	0	0	0	111	F381 I396 A399 K400 N403 L435 L441 S442 E443	F381-I439 HydrophobicContact CD2-CG1 4.45Å; F381-I439 HydrophobicContact CE2-CG1 4.01Å; I396-I439 HydrophobicContact CG2-CG2 4.39Å; A399-I439 HydrophobicContact CB-CD1 3.89Å; A399-I439 HydrophobicContact CB-CG1 4.03Å; A399-I439 WeakPolarHBondContact O-CD1 3.45Å; K400-I439 HydrophobicContact CD-CG2 4.4Å; K400-I439 HydrophobicContact CG-CD1 4.42Å; K400-I439 HydrophobicContact CG-CG2 3.64Å; N403-I439 HydrophobicContact CB-CD1 4.16Å; L435-I439 HydrophobicContact CD1-CD1 4.09Å; L435-I439 HydrophobicContact CD1-CG1 4.3Å; L435-I439 HydrophobicContact CG-CD1 3.9Å; L435-I439 WeakPolarHBondContact O-CB 3.13Å; L435-I439 WeakPolarHBondContact O-CD1 3.16Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 3.14Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 2.93Å; I439-S442 PolarHBondContact O-N 2.78Å; I439-E443 WeakPolarHBondContact O-CB 3.4Å; I439-E443 WeakPolarHBondContact O-CG 2.97Å; I439-E443 PolarHBondContact O-N 3.44Å
440	R	94.8	Very high	88.4	Confident	167 Å²	167	63.2 Å²	63.2	63%	0.63	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-34.6	179.7	-73.7	168.9	-179.6	-172	-1.6	112.6	A436 K437 E438 N444	A436-R440 VanDerWaalsContact O-CD 3.28Å; A436-R440 WeakPolarHBondContact O-CD 3.32Å; A436-R440 WeakPolarHBondContact O-CG 3.46Å; A436-R440 PolarHBondContact O-N 3.24Å; K437-R440 PolarHBondContact O-N 3Å; E438-R440 VanDerWaalsContact C-N 3.35Å; E438-R440 PolarHBondContact O-N 3.47Å; R440-N444 WeakPolarHBondContact O-CB 3.42Å; R440-N444 PolarHBondContact O-N 3.15Å; R440-N444 PolarHBondContact O-ND2 3.1Å
441	L	92.7	Very high	86.3	Confident	65 Å²	65	62.8 Å²	62.8	34%	0.34	32%	0.316	S	S	.	.	H	α-helix	trans	-66.9	-48.9	176.1	-71.2	162	0	0	0	110.9	K437 E438 I439 E443 N444 A445	K437-L441 HydrophobicContact CG-CD1 3.94Å; K437-L441 WeakPolarHBondContact O-CG 3.35Å; K437-L441 PolarHBondContact O-N 3.34Å; E438-L441 PolarHBondContact O-N 3.09Å; E438-L441 WeakPolarHBondContact OE2-CD1 3.24Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 2.93Å; L441-E443 PolarHBondContact O-N 3.44Å; L441-N444 PolarHBondContact O-N 3.33Å; L441-A445 PolarHBondContact O-N 2.98Å
442	S	91.1	Very high	83.4	Confident	8 Å²	8	69.4 Å²	69.4	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-41.2	176	-54.1	0	0	0	0	112.6	Q390 E438 I439 N444 T446	Q390-S442 PolarHBondContact OE1-O 2.85Å; E438-S442 PolarHBondContact O-N 3.22Å; E438-S442 PolarHBondContact O-OG 3.35Å; E438-S442 VanDerWaalsContact O-OG 3.11Å; I439-S442 PolarHBondContact O-N 2.78Å; S442-N444 PolarHBondContact O-N 3.49Å; S442-T446 WeakPolarHBondContact O-CB 3.25Å; S442-T446 PolarHBondContact O-N 2.69Å; S442-T446 PolarHBondContact O-OG1 2.78Å
443	E	90.9	Very high	81	Confident	42 Å²	42	73.9 Å²	73.9	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-43.6	173.9	-79.8	-166.9	-104.8	0	0	113	I396 K400 I439 L441 T446 K447	I396-E443 HydrophobicContact CG2-CG 4.12Å; K400-E443 WeakPolarHBondContact CE-OE1 3.32Å; K400-E443 IonicContact NZ-OE1 2.62Å; K400-E443 PolarHBondContact NZ-OE1 3.32Å; K400-E443 IonicContact NZ-OE2 3.88Å; K400-E443 PolarHBondContact NZ-OE2 3.18Å; I439-E443 WeakPolarHBondContact O-CB 3.4Å; I439-E443 WeakPolarHBondContact O-CG 2.97Å; I439-E443 PolarHBondContact O-N 3.44Å; L441-E443 PolarHBondContact O-N 3.44Å; E443-T446 PolarHBondContact O-N 3.22Å; E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 WeakPolarHBondContact O-CD 3.35Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.35Å; E443-K447 PolarHBondContact O-N 3.43Å; E443-K447 IonicContact OE2-NZ 2.67Å; E443-K447 PolarHBondContact OE2-NZ 2.69Å; E443-K447 VanDerWaalsContact OE2-NZ 3.13Å
444	N	86.9	Confident	78	Confident	100 Å²	100	73.3 Å²	73.3	54%	0.535	39%	0.389	S	S	.	.	H	α-helix	trans	-71.3	-38.3	-177.1	-72.8	-10.2	0	0	0	111.5	R440 L441 S442 K447 A448	R440-N444 WeakPolarHBondContact O-CB 3.42Å; R440-N444 PolarHBondContact O-N 3.15Å; R440-N444 PolarHBondContact O-ND2 3.1Å; L441-N444 PolarHBondContact O-N 3.33Å; S442-N444 PolarHBondContact O-N 3.49Å; N444-K447 PolarHBondContact O-N 2.83Å; N444-A448 PolarHBondContact O-N 3.5Å
445	A	81.5	Confident	75.3	Confident	31 Å²	31	78.9 Å²	78.9	26%	0.256	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-41.8	171.9	0	0	0	0	0	111.9	Q390 L441 K447 A448 I449	Q390-A445 VanDerWaalsContact NE2-CB 3.34Å; L441-A445 PolarHBondContact O-N 2.98Å; A445-K447 VanDerWaalsContact C-N 3.29Å; A445-K447 PolarHBondContact O-N 3.25Å; A445-A448 PolarHBondContact O-N 3.26Å; A445-I449 WeakPolarHBondContact O-CG1 3.5Å; A445-I449 PolarHBondContact O-N 3.38Å
446	T	77.2	Confident	72.5	Confident	40 Å²	40	87.8 Å²	87.8	25%	0.245	46%	0.456	C	S	.	.	H	α-helix	trans	-60.3	-37.6	173.5	-57	0	0	0	0	112.1	S442 E443 K450	S442-T446 WeakPolarHBondContact O-CB 3.25Å; S442-T446 PolarHBondContact O-N 2.69Å; S442-T446 PolarHBondContact O-OG1 2.78Å; E443-T446 PolarHBondContact O-N 3.22Å; T446-K450 WeakPolarHBondContact O-CG 3.48Å; T446-K450 PolarHBondContact O-N 3.12Å
447	K	76.3	Confident	69.4	Low	114 Å²	114	91.3 Å²	91.3	50%	0.496	49%	0.485	S	S	.	.	H	α-helix	trans	-70.2	-39.1	175.1	-72.3	161.5	-166.9	161.8	0	112.2	E443 N444 A445 K450 S451	E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 WeakPolarHBondContact O-CD 3.35Å; E443-K447 VanDerWaalsContact O-CG 3.25Å; E443-K447 WeakPolarHBondContact O-CG 3.35Å; E443-K447 PolarHBondContact O-N 3.43Å; E443-K447 IonicContact OE2-NZ 2.67Å; E443-K447 PolarHBondContact OE2-NZ 2.69Å; E443-K447 VanDerWaalsContact OE2-NZ 3.13Å; N444-K447 PolarHBondContact O-N 2.83Å; A445-K447 VanDerWaalsContact C-N 3.29Å; A445-K447 PolarHBondContact O-N 3.25Å; K447-K450 CarbonylContact O-C 3.55Å; K447-K450 PolarHBondContact O-N 3.4Å; K447-S451 WeakPolarHBondContact O-CB 3.28Å; K447-S451 PolarHBondContact O-N 3.31Å; K447-S451 VanDerWaalsContact O-N 3.14Å; K447-S451 PolarHBondContact O-OG 2.88Å
448	A	71.2	Confident	66.7	Low	51 Å²	51	91.8 Å²	91.8	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-60.3	-49.4	176.2	0	0	0	0	0	111.5	N444 A445 K450 S451 E452	N444-A448 PolarHBondContact O-N 3.5Å; A445-A448 PolarHBondContact O-N 3.26Å; A448-K450 VanDerWaalsContact C-N 3.3Å; A448-K450 PolarHBondContact O-N 3.09Å; A448-S451 WeakPolarHBondContact CA-OG 3.48Å; A448-S451 WeakPolarHBondContact O-CA 3Å; A448-S451 PolarHBondContact O-N 2.6Å; A448-S451 PolarHBondContact O-OG 3.25Å; A448-E452 PolarHBondContact O-N 3.04Å
449	I	65.3	Low	63.7	Low	106 Å²	106	98.2 Å²	98.2	54%	0.544	54%	0.539	S	S	.	.	H	α-helix	trans	-59.8	-39.6	176.9	-64.1	162.4	0	0	0	111.2	Q390 A445 S451	Q390-I449 HydrophobicContact CG-CD1 3.93Å; A445-I449 WeakPolarHBondContact O-CG1 3.5Å; A445-I449 PolarHBondContact O-N 3.38Å; I449-S451 PolarHBondContact O-N 3.42Å
450	K	60.6	Low	60.7	Low	180 Å²	180	106.8 Å²	106.8	78%	0.783	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-1	174.6	-71.5	-173.6	177.3	-171.8	0	114.6	T446 K447 A448	T446-K450 WeakPolarHBondContact O-CG 3.48Å; T446-K450 PolarHBondContact O-N 3.12Å; K447-K450 CarbonylContact O-C 3.55Å; K447-K450 PolarHBondContact O-N 3.4Å; A448-K450 VanDerWaalsContact C-N 3.3Å; A448-K450 PolarHBondContact O-N 3.09Å
451	S	51.1	Low	57.6	Low	87 Å²	87	107.5 Å²	107.5	61%	0.608	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-6.5	-179.1	70.2	0	0	0	0	114.6	K447 A448 I449 P453	K447-S451 WeakPolarHBondContact O-CB 3.28Å; K447-S451 PolarHBondContact O-N 3.31Å; K447-S451 VanDerWaalsContact O-N 3.14Å; K447-S451 PolarHBondContact O-OG 2.88Å; A448-S451 WeakPolarHBondContact CA-OG 3.48Å; A448-S451 WeakPolarHBondContact O-CA 3Å; A448-S451 PolarHBondContact O-N 2.6Å; A448-S451 PolarHBondContact O-OG 3.25Å; I449-S451 PolarHBondContact O-N 3.42Å; S451-P453 VanDerWaalsContact O-CD 3.31Å; S451-P453 WeakPolarHBondContact O-CD 3.44Å
452	E	36.5	Very low	54.9	Low	152 Å²	152	110.1 Å²	110.1	71%	0.71	61%	0.61	S	S	*	*	S	Bend	trans	-78.4	116.7	166.4	-74.5	-170.4	119.2	0	0	110.1	A448	A448-E452 PolarHBondContact O-N 3.04Å
453	P	46.3	Very low	51.8	Low	105 Å²	105	114.1 Å²	114.1	68%	0.682	64%	0.644	S	S	*	*			trans	-70.5	138.7	166	31.2	-32.8	0	0	0	108.8	S451 I455	S451-P453 VanDerWaalsContact O-CD 3.31Å; S451-P453 WeakPolarHBondContact O-CD 3.44Å; P453-I455 PolarHBondContact O-N 2.8Å
454	S	35	Very low	48.7	Very low	118 Å²	118	121.9 Å²	121.9	83%	0.825	68%	0.677	S	S	*	*			trans	-54.9	109	179	-179.4	0	0	0	0	111.1	K456	S454-K456 PolarHBondContact O-N 3.15Å
455	I	40.7	Very low	45.8	Very low	153 Å²	153	123.4 Å²	123.4	79%	0.785	69%	0.691	S	S	*	*			trans	-70.5	115.8	171	-60.8	177.4	0	0	0	106.6	P453 A457	P453-I455 PolarHBondContact O-N 2.8Å; I455-A457 PolarHBondContact O-N 3.41Å
456	K	39.5	Very low	43.2	Very low	188 Å²	188	131.2 Å²	131.2	82%	0.817	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-62.3	122.2	174.8	-65.9	-174.5	176.5	-171.8	0	109.3	S454	S454-K456 PolarHBondContact O-N 3.15Å
457	A	32.6	Very low	40.8	Very low	83 Å²	83	135 Å²	135	69%	0.686	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.5	162.8	0	0	0	0	0	109.7	I455	I455-A457 PolarHBondContact O-N 3.41Å
458	P	38.1	Very low	38.3	Very low	125 Å²	125	137.7 Å²	137.7	81%	0.812	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.5	165.8	-13.9	29.2	0	0	0	110.1
459	V	33.2	Very low	37.1	Very low	142 Å²	142	140.1 Å²	140.1	86%	0.861	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-100.2	129.4	162.5	177.3	0	0	0	0	106.8
460	E	34.3	Very low	35.1	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	79%	0.787	S	S	*	*			trans	-129.6	130.4	174.4	-170.7	165.1	-138.3	0	0	106.7
461	E	29.4	Very low	33.3	Very low	183 Å²	183	141 Å²	141	86%	0.855	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.3	140.9	-172.1	-65.9	178.6	118.2	0	0	112.3
462	P	35.4	Very low	33.1	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-95.6	120.3	151.8	33.3	-25.4	0	0	0	109.9
463	A	24.9	Very low	32.5	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.4	151.1	176.5	0	0	0	0	0	112.4
464	F	26.1	Very low	31.6	Very low	204 Å²	204	140.3 Å²	140.3	90%	0.895	79%	0.791	S	S	*	*			trans	-135.2	145.8	158.6	-99	-82.6	0	0	0	110.7
465	T	26.1	Very low	32.5	Very low	133 Å²	133	140.6 Å²	140.6	82%	0.816	79%	0.79	S	S	*	*			trans	-94.7	141.7	-171	48.3	0	0	0	0	112.5
466	H	28.1	Very low	31.9	Very low	195 Å²	195	137.3 Å²	137.3	90%	0.903	79%	0.786	S	S	*	*			trans	-107.8	154.4	165.3	-84.5	-94	0	0	0	111.2
467	S	25.6	Very low	31.2	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	79%	0.786	S	S	*	*			trans	-143.6	136.9	169.5	54.9	0	0	0	0	111
468	E	25.3	Very low	30.8	Very low	171 Å²	171	138.2 Å²	138.2	80%	0.799	79%	0.791	S	S	*	*			trans	-50.1	174.2	170.3	-73.7	-68.3	128	0	0	114.8
469	P	45.1	Very low	30.7	Very low	102 Å²	102	138.4 Å²	138.4	66%	0.662	79%	0.792	S	S	*	*			cis	-138.2	167.5	18.5	42.6	-25	0	0	0	118.2
470	D	22.6	Very low	30.4	Very low	151 Å²	151	136.6 Å²	136.6	81%	0.807	79%	0.786	S	S	*	*				169.6	159.2	95.6	-112.2	-40.3	0	0	0	114.9
471	E	23.6	Very low	30.7	Very low	155 Å²	155	133.3 Å²	133.3	72%	0.724	78%	0.781	S	S	*	*			trans	-109.7	-162.8	-174.8	-128.1	-137.3	125.3	0	0	111.1	V473	E471-V473 PolarHBondContact OE1-N 3.28Å
472	P	45.9	Very low	30.4	Very low	100 Å²	100	129.6 Å²	129.6	65%	0.649	78%	0.775	S	S	*	*			cis	-134.6	177.3	-0.1	34.9	-12.8	0	0	0	117.8
473	V	23.7	Very low	30	Very low	126 Å²	126	135.2 Å²	135.2	76%	0.764	78%	0.781	S	S	*	*				164.7	142.5	123.9	158.7	0	0	0	0	112.5	E471	E471-V473 PolarHBondContact OE1-N 3.28Å
474	S	28.4	Very low	30	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	79%	0.785	S	S	*	*			trans	-140.9	-176.4	-175.6	-85.2	0	0	0	0	110.2
475	P	53.9	Low	30.3	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	78%	0.783	S	S	*	*			cis	-115.5	-153.3	-1.2	36.5	-16.1	0	0	0	111
476	A	28.5	Very low	30.7	Very low	84 Å²	84	137.8 Å²	137.8	69%	0.694	78%	0.777	S	S	*	*			cis	-151	-163.2	9.9	0	0	0	0	0	109
477	T	24	Very low	30.5	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	78%	0.777	S	S	*	*			cis	-154.2	170.9	14	-40.6	0	0	0	0	109.9
478	I	25.4	Very low	30.5	Very low	156 Å²	156	142 Å²	142	80%	0.8	78%	0.777	S	S	*	*			trans	-133.9	136.9	-174.4	-75.7	171.9	0	0	0	110.6
479	P	35	Very low	30.5	Very low	128 Å²	128	142.9 Å²	142.9	83%	0.831	78%	0.778	S	S	*	*				-148	163.4	106.5	36.4	-17.8	0	0	0	117.9
480	S	26.9	Very low	29.6	Very low	104 Å²	104	143 Å²	143	73%	0.727	79%	0.788	S	S	*	*			trans	-113.6	-158.7	164.4	66.5	0	0	0	0	108.9
481	P	40.2	Very low	30.6	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	78%	0.784	S	S	*	*			cis	-90.4	-141.5	11.8	41.5	-39.9	0	0	0	111.9
482	S	24.5	Very low	30.7	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	79%	0.792	S	S	*	*			cis	-156.6	155.7	0.3	33.9	0	0	0	0	108.5
483	R	27	Very low	29.7	Very low	238 Å²	238	142.7 Å²	142.7	90%	0.898	79%	0.789	S	S	*	*			cis	90.8	87.6	28.9	-161.5	-166.8	-159.6	-165.3	8.5	115.7
484	E	24.6	Very low	29.9	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	79%	0.793	S	S	*	*			trans	-162	155.9	130.8	-121.1	-175.5	-140.7	0	0	115.8
485	K	32.1	Very low	29.8	Very low	198 Å²	198	149.6 Å²	149.6	86%	0.861	80%	0.799	S	S	*	*			trans	-152.4	134.6	165.9	-76.1	178.6	-178.8	169	0	104
486	P	33.7	Very low	29.2	Very low	104 Å²	104	148.7 Å²	148.7	68%	0.675	79%	0.793	S	S	*	*				-160.4	166.6	74.9	40.9	-21.2	0	0	0	117.7
487	K	25.1	Very low	29.7	Very low	208 Å²	208	149.7 Å²	149.7	90%	0.904	79%	0.792	S	S	*	*				-171.3	163.5	115.4	-99.3	154.6	-173.4	172.2	0	111.2
488	K	25.8	Very low	29.8	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.835	79%	0.793	S	S	*	*			trans	-159	153.3	-160.3	-161	177.1	-174.5	176.6	0	110.9
489	K	23.6	Very low	30.3	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.826	79%	0.792	S	S	*	*			trans	77.8	116.1	170.9	-50	175.2	-178.8	176.6	0	117.4
490	A	26.4	Very low	30.2	Very low	105 Å²	105	149.9 Å²	149.9	87%	0.868	79%	0.794	S	S	*	*				-153.7	115.6	116.8	0	0	0	0	0	109.4
491	P	43.4	Very low	30.3	Very low	112 Å²	112	154.4 Å²	154.4	73%	0.727	80%	0.8	S	S	*	*			trans	-115.4	152.2	176.5	38.6	-30	0	0	0	113.1
492	K	26.9	Very low	30	Very low	204 Å²	204	153.2 Å²	153.2	89%	0.887	80%	0.8	S	S	*	*			trans	167.6	158.7	157.1	-96.9	156.6	-177.8	-175.5	0	109.1
493	S	24.2	Very low	30.4	Very low	83 Å²	83	154 Å²	154	58%	0.58	80%	0.802	S	S	*	*			cis	-177.6	144.8	-30.4	50.7	0	0	0	0	109.8
494	Q	27.3	Very low	30.8	Very low	184 Å²	184	152.2 Å²	152.2	86%	0.86	80%	0.801	S	S	*	*			trans	65.8	164	159.1	-67.8	173.7	13.5	0	0	116.5
495	K	27.4	Very low	31.5	Very low	190 Å²	190	149.1 Å²	149.1	83%	0.826	80%	0.797	S	S	*	*			cis	-155.6	-156.2	-42.4	-138.7	-172.2	179.3	178	0	107.2
496	P	41	Very low	31.6	Very low	106 Å²	106	145.2 Å²	145.2	69%	0.688	79%	0.792	S	S	*	*			trans	-118.5	-146.8	-147.2	44	-22	0	0	0	111.8
497	P	38.8	Very low	31.2	Very low	104 Å²	104	150 Å²	150	68%	0.675	80%	0.802	S	S	*	*			cis	-141.1	170	-11.2	39.6	-19.7	0	0	0	118.8
498	K	27.3	Very low	31.2	Very low	196 Å²	196	146.8 Å²	146.8	85%	0.852	80%	0.8	S	S	*	*			trans	40.5	123.9	139.8	-66.8	177.4	176.8	179.6	0	123.3
499	A	33.9	Very low	31.2	Very low	94 Å²	94	146 Å²	146	78%	0.777	80%	0.796	S	S	*	*				69.4	176.9	128.1	0	0	0	0	0	118
500	P	33.4	Very low	31.2	Very low	132 Å²	132	144 Å²	144	86%	0.857	80%	0.795	S	S	*	*			cis	-131.6	-137.2	5.1	43.8	-23.8	0	0	0	116.1
501	K	29.5	Very low	31.1	Very low	200 Å²	200	142.6 Å²	142.6	87%	0.87	79%	0.79	S	S	*	*			trans	-119.7	156.1	-162.2	-73.1	-177.6	175	178.6	0	115.3
502	A	34.3	Very low	30.2	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	79%	0.789	S	S	*	*			trans	69.2	164.9	147.2	0	0	0	0	0	117.9
503	P	31.9	Very low	30.2	Very low	121 Å²	121	141.6 Å²	141.6	79%	0.786	78%	0.777	S	S	*	*				-142.3	169.9	87.5	39.7	-25.3	0	0	0	116.6
504	K	35.4	Very low	30.4	Very low	201 Å²	201	146.5 Å²	146.5	87%	0.874	79%	0.787	S	S	*	*			trans	-105.6	150.6	147.3	-69.8	-175.3	177.9	-174.2	0	107.8
505	P	39.2	Very low	30.4	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	79%	0.786	S	S	*	*				-145.9	-179.6	128.4	35.5	-18.8	0	0	0	112.9
506	P	34.2	Very low	30.4	Very low	116 Å²	116	143.2 Å²	143.2	75%	0.753	78%	0.78	S	S	*	*			cis	-119.7	176.1	-8.9	16.8	6.9	0	0	0	114.2
507	K	26.6	Very low	29.8	Very low	206 Å²	206	147.1 Å²	147.1	90%	0.896	79%	0.786	S	S	*	*			trans	-120.7	145	152.8	-99.9	-169	173.6	-170.9	0	107.7
508	V	25.5	Very low	29.2	Very low	140 Å²	140	150.3 Å²	150.3	85%	0.848	79%	0.789	S	S	*	*			trans	-130.9	162.3	159.7	-174.2	0	0	0	0	107.9
509	K	24.6	Very low	29.2	Very low	174 Å²	174	147.1 Å²	147.1	76%	0.757	78%	0.78	S	S	*	*			trans	-77.3	-179.4	173.7	-40.2	173.4	-173.9	171	0	109.9
510	D	24.1	Very low	28.8	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	78%	0.784	S	S	*	*			cis	-124.4	-171.1	0.6	-74.2	-78.8	0	0	0	109.4
511	G	23.4	Very low	28.3	Very low	75 Å²	75	154.4 Å²	154.4	77%	0.773	78%	0.783	S	S	*	*				137.4	178.3	86.2	0	0	0	0	0	111.8
512	E	24.8	Very low	28.1	Very low	150 Å²	150	153.1 Å²	153.1	70%	0.701	79%	0.785	S	S	*	*			trans	-90.5	162.3	-158.6	-60.3	-159.3	92.2	0	0	118.4
513	K	26.9	Very low	27.7	Very low	145 Å²	145	154.1 Å²	154.1	63%	0.63	79%	0.787	S	S	*	*			trans	45.5	122.2	138	-68.9	161.9	-174.5	150.7	0	121.2
514	K	28.5	Very low	27.7	Very low	185 Å²	185	154.3 Å²	154.3	80%	0.804	79%	0.788	S	S	*	*			trans	71.7	132.2	130.2	-69	178.2	177.4	174.4	0	121.4
515	K	27.4	Very low	27.4	Very low	190 Å²	190	150.4 Å²	150.4	83%	0.826	78%	0.783	S	S	*	*			trans	86.5	125.7	135	-86.6	-174.4	174.7	-173.5	0	121.7
516	V	28.2	Very low	27.2	Very low	116 Å²	116	150.7 Å²	150.7	70%	0.703	79%	0.785	S	S	*	*			trans	90.8	119.1	136.1	173	0	0	0	0	120.2
517	K	28.1	Very low	27	Very low	187 Å²	187	155 Å²	155	81%	0.813	79%	0.792	S	S	*	*			trans	27.4	145	135.3	-53.2	178.1	-179.1	175.1	0	119.1
518	K	26.7	Very low	27.3	Very low	172 Å²	172	150.9 Å²	150.9	75%	0.748	79%	0.786	S	S	*	*			cis	-171.5	164.3	19.5	-135.3	-177.4	164.4	-167.3	0	112
519	I	26.3	Very low	27.5	Very low	128 Å²	128	149.5 Å²	149.5	66%	0.656	78%	0.783	S	S	*	*			trans	75.6	129.8	150.1	-72.5	164.9	0	0	0	120.5
520	K	25	Very low	28.1	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.865	78%	0.778	S	S	*	*			trans	52.8	148.5	165.2	-76.4	-179.6	175.9	-170.8	0	116.9
521	E	22.9	Very low	28.6	Very low	180 Å²	180	147.7 Å²	147.7	84%	0.841	78%	0.78	S	S	*	*			cis	-137.4	166.4	15	-170.4	160.6	-158.5	0	0	110.8
522	L	25.6	Very low	29.6	Very low	173 Å²	173	148.6 Å²	148.6	91%	0.906	78%	0.78	S	S	*	*			trans	-109.8	134.8	-178.8	-96.4	84.2	0	0	0	112.9
523	S	27.3	Very low	30.3	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	77%	0.77	S	S	*	*			trans	-136.5	149.5	157.4	58.4	0	0	0	0	110.3
524	P	31.6	Very low	30.8	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	77%	0.774	S	S	*	*			trans	-94.5	151.9	-166.3	36.4	-35.8	0	0	0	113.8
525	P	28.8	Very low	31.5	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	77%	0.765	S	S	*	*				-145.8	-175	114.6	41.1	-27.7	0	0	0	112.7
526	P	34.7	Very low	32.1	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	75%	0.746	S	S	*	*				-111.6	153.6	-63.7	35.9	-25.7	0	0	0	111.2
527	K	30.3	Very low	32.6	Very low	207 Å²	207	135.1 Å²	135.1	90%	0.9	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-91.9	145.5	174.2	-71.5	-176.9	178.7	178.7	0	111.7
528	P	32.8	Very low	33.4	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-75.7	145.3	167.7	32	-34.1	0	0	0	111.7
529	S	30.6	Very low	34.4	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-73.7	118.7	167.8	50.8	0	0	0	0	109.9
530	S	36.4	Very low	34.9	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	71%	0.711	S	S	*	*				79.7	41.5	54.6	83.9	0	0	0	0	115.8
531	F	34.7	Very low	35.7	Very low	193 Å²	193	122.7 Å²	122.7	85%	0.846	70%	0.696	S	S	*	*	S	Bend	trans	-105.9	-25.5	153.8	-146.9	-96	0	0	0	112.8	A533	F531-A533 VanDerWaalsContact C-N 3.26Å; F531-A533 PolarHBondContact O-N 2.89Å
532	A	43.7	Very low	36.4	Very low	94 Å²	94	121.7 Å²	121.7	78%	0.777	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	9	-180	0	0	0	0	0	115.4
533	A	40.7	Very low	37	Very low	59 Å²	59	117.9 Å²	117.9	49%	0.488	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.8	-11.1	-173.7	0	0	0	0	0	114.5	F531 S536	F531-A533 VanDerWaalsContact C-N 3.26Å; F531-A533 PolarHBondContact O-N 2.89Å; A533-S536 PolarHBondContact O-OG 2.89Å; A533-S536 VanDerWaalsContact O-OG 3.13Å
534	L	36.9	Very low	37.4	Very low	137 Å²	137	120.2 Å²	120.2	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-91.3	-34.3	176.7	-72.5	169.5	0	0	0	112	S536 H537 A538	L534-S536 VanDerWaalsContact C-N 3.3Å; L534-S536 PolarHBondContact O-N 3.05Å; L534-H537 PolarHBondContact O-N 3.22Å; L534-A538 PolarHBondContact O-N 3.46Å
535	E	43.3	Very low	37.6	Very low	129 Å²	129	123 Å²	123	60%	0.603	69%	0.687	S	S	*	*	H	α-helix	trans	-68.7	-28.6	178.1	-152.5	-159.4	131.2	0	0	112.9	K539	E535-K539 IonicContact OE1-NZ 3.59Å; E535-K539 PolarHBondContact OE1-NZ 3.31Å
536	S	39.9	Very low	37.7	Very low	63 Å²	63	124.1 Å²	124.1	44%	0.441	69%	0.686	S	S	.	*	H	α-helix	trans	-69.2	-42.8	172.3	50.1	0	0	0	0	112	A533 L534 A538 K539 E540	A533-S536 PolarHBondContact O-OG 2.89Å; A533-S536 VanDerWaalsContact O-OG 3.13Å; L534-S536 VanDerWaalsContact C-N 3.3Å; L534-S536 PolarHBondContact O-N 3.05Å; S536-A538 VanDerWaalsContact C-N 3.32Å; S536-A538 PolarHBondContact O-N 3.27Å; S536-K539 PolarHBondContact O-N 2.99Å; S536-K539 VanDerWaalsContact O-N 3.12Å; S536-E540 PolarHBondContact O-N 3.48Å; S536-E540 VanDerWaalsContact O-N 3.09Å
537	H	38.9	Very low	37.4	Very low	114 Å²	114	125.4 Å²	125.4	53%	0.528	68%	0.682	S	S	.	*	H	α-helix	trans	-71.1	-26.9	-175.2	-155	-63.6	0	0	0	112.8	L534	L534-H537 PolarHBondContact O-N 3.22Å
538	A	44.3	Very low	37.2	Very low	61 Å²	61	124.9 Å²	124.9	50%	0.504	68%	0.682	S	S	.	*	H	α-helix	trans	-68.6	-34.4	170.7	0	0	0	0	0	112.6	L534 S536	L534-A538 PolarHBondContact O-N 3.46Å; S536-A538 VanDerWaalsContact C-N 3.32Å; S536-A538 PolarHBondContact O-N 3.27Å
539	K	48.1	Very low	36.9	Very low	138 Å²	138	126.3 Å²	126.3	60%	0.6	68%	0.676	S	S	*	*	H	α-helix	trans	-81.9	-19.3	179.2	-73.6	168	177.4	167.3	0	113.4	E535 S536	E535-K539 IonicContact OE1-NZ 3.59Å; E535-K539 PolarHBondContact OE1-NZ 3.31Å; S536-K539 PolarHBondContact O-N 2.99Å; S536-K539 VanDerWaalsContact O-N 3.12Å
540	E	36.4	Very low	36.9	Very low	116 Å²	116	130.7 Å²	130.7	54%	0.542	68%	0.682	S	S	.	*	H	α-helix	trans	-84.8	-33.2	-179.9	-164.6	159.4	-165	0	0	113.1	S536 S543	S536-E540 PolarHBondContact O-N 3.48Å; S536-E540 VanDerWaalsContact O-N 3.09Å; E540-S543 WeakPolarHBondContact O-CB 3.25Å; E540-S543 PolarHBondContact O-N 3.27Å; E540-S543 VanDerWaalsContact O-N 3.12Å
541	I	41.2	Very low	36.7	Very low	110 Å²	110	131 Å²	131	56%	0.564	68%	0.681	S	S	*	*	H	α-helix	trans	-65.3	-42.8	176.3	-67.9	172.1	0	0	0	111.5	S543 Q544	I541-S543 PolarHBondContact O-N 3Å; I541-S543 VanDerWaalsContact O-N 3.11Å; I541-Q544 PolarHBondContact O-N 3.2Å
542	L	38.7	Very low	36.3	Very low	160 Å²	160	131 Å²	131	84%	0.838	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-2.9	174.8	-71.6	169.8	0	0	0	113.9
543	S	37.3	Very low	35.3	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-4.7	-179.8	-164	0	0	0	0	113.7	E540 I541	E540-S543 WeakPolarHBondContact O-CB 3.25Å; E540-S543 PolarHBondContact O-N 3.27Å; E540-S543 VanDerWaalsContact O-N 3.12Å; I541-S543 PolarHBondContact O-N 3Å; I541-S543 VanDerWaalsContact O-N 3.11Å
544	Q	35.7	Very low	34.4	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	68%	0.684	S	S	*	*	S	Bend	trans	-112.1	7.7	-174.5	-70	-149.1	7.7	0	0	116.2	I541	I541-Q544 PolarHBondContact O-N 3.2Å
545	M	36.6	Very low	33.9	Very low	184 Å²	184	139.8 Å²	139.8	91%	0.906	69%	0.689	S	S	*	*	S	Bend	trans	-98.6	-8.3	175.2	-76.8	-165.4	67.6	0	0	115.9
546	D	31	Very low	33	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	70%	0.697	S	S	*	*			trans	-142.5	89.4	177.5	-156	-11.8	0	0	0	115.3
547	Q	27.5	Very low	32.2	Very low	150 Å²	150	143.2 Å²	143.2	70%	0.701	71%	0.71	S	S	*	*			trans	-151.6	86.5	147.2	-75.6	-159.1	4.2	0	0	111	K549	Q547-K549 HydrophobicContact CB-CG 4.28Å
548	Q	25.9	Very low	31.4	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	72%	0.724	S	S	*	*			trans	-71.8	143.8	147.7	-76	-163.1	-9	0	0	109.6
549	K	28	Very low	30.3	Very low	150 Å²	150	147.2 Å²	147.2	65%	0.652	73%	0.734	S	S	*	*			trans	-131.5	108.4	-162.7	-73.7	173.6	178.4	162.7	0	115	Q547	Q547-K549 HydrophobicContact CB-CG 4.28Å
550	K	30.2	Very low	29.1	Very low	202 Å²	202	147.7 Å²	147.7	88%	0.878	75%	0.748	S	S	*	*			trans	63.6	-173.3	139.5	-62.7	-172.4	178.2	-175	0	113.5
551	P	32.7	Very low	28.4	Very low	100 Å²	100	147.2 Å²	147.2	65%	0.649	76%	0.758	S	S	*	*			cis	-114.2	-173.3	-5.6	44.3	-30.7	0	0	0	113.3
552	R	24.6	Very low	27.5	Very low	194 Å²	194	150.1 Å²	150.1	73%	0.732	77%	0.769	S	S	*	*			cis	-137.1	-138.8	1.4	-137.5	172.7	-131.9	97.3	0.5	107.4
553	F	23.4	Very low	27	Very low	180 Å²	180	149.9 Å²	149.9	79%	0.789	76%	0.761	S	S	*	*			cis	-136.4	-172.3	-13.9	-129.4	-52.8	0	0	0	109.3
554	V	22.5	Very low	26.5	Very low	107 Å²	107	152.3 Å²	152.3	65%	0.648	76%	0.762	S	S	*	*			trans	-155.6	134.9	-154.2	171.9	0	0	0	0	113.5
555	K	26.7	Very low	26	Very low	187 Å²	187	150.4 Å²	150.4	81%	0.813	76%	0.762	S	S	*	*			trans	68.7	156.3	167.8	-70.5	169	-176.8	-178.5	0	116.2
556	N	23.5	Very low	25.4	Very low	145 Å²	145	146.9 Å²	146.9	78%	0.775	76%	0.755	S	S	*	*			cis	-152.2	-177	-5.4	-128.3	21	0	0	0	113
557	V	22.9	Very low	25.4	Very low	118 Å²	118	149.3 Å²	149.3	72%	0.715	76%	0.759	S	S	*	*			trans	-75.9	163.9	-169.7	-159.2	0	0	0	0	116.2
558	L	23	Very low	25.3	Very low	159 Å²	159	149.6 Å²	149.6	83%	0.832	76%	0.76	S	S	*	*			trans	92.3	141.9	165.3	-56.3	174.7	0	0	0	116.1
559	S	21.1	Very low	25.5	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	75%	0.753	S	S	*	*			cis	-169.7	162.9	-3.3	44.3	0	0	0	0	112.4
560	V	22.4	Very low	25.5	Very low	149 Å²	149	145.6 Å²	145.6	90%	0.903	75%	0.752	S	S	*	*			trans	74.5	153.8	167.8	153.9	0	0	0	0	114.9
561	S	22	Very low	25.3	Very low	106 Å²	106	143 Å²	143	74%	0.741	75%	0.745	S	S	*	*			cis	-139.8	-173.8	18.6	78.8	0	0	0	0	117
562	E	21.5	Very low	25	Very low	170 Å²	170	143.8 Å²	143.8	79%	0.794	74%	0.743	S	S	*	*			trans	-100.7	172.1	163.3	-79.8	-176.1	121.1	0	0	110.6
563	K	28	Very low	25.4	Very low	155 Å²	155	139.9 Å²	139.9	67%	0.674	73%	0.732	S	S	*	*			cis	179.5	167.5	-22.1	-171.9	-164.2	174.9	-144.7	0	109.5
564	E	26.6	Very low	25.9	Very low	144 Å²	144	139.8 Å²	139.8	67%	0.673	73%	0.732	S	S	*	*			trans	76.1	154	164	-53.6	-160.1	169.8	0	0	119.2
565	T	25.9	Very low	26	Very low	121 Å²	121	140.7 Å²	140.7	74%	0.742	73%	0.729	S	S	*	*			cis	-147.3	-145.4	-14.9	22.2	0	0	0	0	113.2
566	S	25	Very low	26.1	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	73%	0.729	S	S	*	*			trans	-168.6	154	-139.7	51.7	0	0	0	0	117.6
567	K	29.9	Very low	26.8	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	73%	0.73	S	S	*	*			trans	-157.4	122	174.2	-106.6	177.4	-176.6	178.1	0	118.5
568	Q	26.1	Very low	27.2	Very low	156 Å²	156	143.1 Å²	143.1	73%	0.729	73%	0.725	S	S	*	*				91	137.6	125.3	-152.4	156.5	-13.4	0	0	124.5
569	N	30.7	Very low	27.5	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	72%	0.717	S	S	*	*			trans	69.8	113.7	176.8	-57.7	-16.8	0	0	0	117.2
570	N	27.4	Very low	27.7	Very low	117 Å²	117	143.2 Å²	143.2	63%	0.626	71%	0.714	S	S	*	*			cis	81.8	130.1	30.4	-141	43.3	0	0	0	112.9	K573	N570-K573 PolarHBondContact OD1-NZ 3.41Å
571	M	25.5	Very low	28.2	Very low	146 Å²	146	144.4 Å²	144.4	72%	0.719	71%	0.707	S	S	*	*			cis	-142.2	161.2	22.7	-78.8	168.3	62.3	0	0	110.5
572	D	26.3	Very low	28.4	Very low	117 Å²	117	146.2 Å²	146.2	63%	0.626	71%	0.708	S	S	*	*	S	Bend	cis	-148.2	140.4	-2.3	-89.2	-32.1	0	0	0	107.2
573	K	33.3	Very low	28.7	Very low	112 Å²	112	146.8 Å²	146.8	49%	0.487	71%	0.708	S	S	.	*			cis	-163.2	165.7	-2.2	-155.5	57.6	-98.2	-166.2	0	108.2	N570 E575	N570-K573 PolarHBondContact OD1-NZ 3.41Å; K573-E575 WeakPolarHBondContact CE-OE1 3.36Å; K573-E575 WeakPolarHBondContact CE-OE2 3.44Å; K573-E575 IonicContact NZ-OE1 3.97Å; K573-E575 IonicContact NZ-OE2 2.61Å; K573-E575 PolarHBondContact NZ-OE2 2.84Å
574	F	33	Very low	28.7	Very low	179 Å²	179	144.5 Å²	144.5	79%	0.785	71%	0.707	S	S	*	*			trans	-112.8	-108.8	-172.4	-51.9	-79.1	0	0	0	115.3	I576	F574-I576 HydrophobicContact CB-CD1 4.21Å
575	E	24.5	Very low	28.6	Very low	125 Å²	125	146.3 Å²	146.3	58%	0.584	72%	0.716	S	S	*	*			cis	-142.3	25.3	12.6	-135.8	89.2	-26.2	0	0	114.2	K573	K573-E575 WeakPolarHBondContact CE-OE1 3.36Å; K573-E575 WeakPolarHBondContact CE-OE2 3.44Å; K573-E575 IonicContact NZ-OE1 3.97Å; K573-E575 IonicContact NZ-OE2 2.61Å; K573-E575 PolarHBondContact NZ-OE2 2.84Å
576	I	30.2	Very low	28.8	Very low	159 Å²	159	144.7 Å²	144.7	82%	0.815	72%	0.715	S	S	*	*			trans	76.7	-178	150.2	-68.4	155.9	0	0	0	117.8	F574	F574-I576 HydrophobicContact CB-CD1 4.21Å
577	R	36.8	Very low	28.8	Very low	211 Å²	211	147.5 Å²	147.5	80%	0.796	71%	0.713	S	S	*	*			trans	-112	133.4	176.1	169.3	177.1	178.4	156.1	2.9	107.5
578	E	31.6	Very low	28.6	Very low	131 Å²	131	147 Å²	147	61%	0.612	71%	0.706	S	S	*	*				-166.5	163.6	54.9	-147.3	-166.6	157.6	0	0	113.9
579	Q	30	Very low	28.6	Very low	144 Å²	144	147.3 Å²	147.3	67%	0.673	71%	0.705	S	S	*	*			trans	66	142.2	151.7	-86.9	-173.9	60.5	0	0	125.1
580	N	25.8	Very low	28.3	Very low	118 Å²	118	149.8 Å²	149.8	63%	0.631	71%	0.705	S	S	*	*			trans	75.3	100.3	156.6	-79.7	-50.7	0	0	0	123.6
581	K	33.2	Very low	28.2	Very low	173 Å²	173	152.5 Å²	152.5	75%	0.752	71%	0.711	S	S	*	*				39.3	117	127.7	-63.8	174.5	-180	169.8	0	118
582	N	25.2	Very low	28.3	Very low	145 Å²	145	152.5 Å²	152.5	78%	0.775	71%	0.714	S	S	*	*				-168.8	178.4	73.2	-94.1	-51	0	0	0	113.9
583	K	28.2	Very low	28.3	Very low	181 Å²	181	152.7 Å²	152.7	79%	0.787	72%	0.724	S	S	*	*			trans	-24.5	158.4	166.3	-46.9	177.3	178.8	178.2	0	117.3
584	T	26.8	Very low	28.1	Very low	107 Å²	107	156.5 Å²	156.5	66%	0.656	74%	0.741	S	S	*	*			cis	-165.5	149.5	31.1	-24.5	0	0	0	0	113.8
585	E	25.1	Very low	29.1	Very low	183 Å²	183	153.3 Å²	153.3	86%	0.855	74%	0.738	S	S	*	*			trans	58.6	155	141.6	-89.4	175.9	140.6	0	0	127.5
586	A	30.6	Very low	29.3	Very low	87 Å²	87	153.4 Å²	153.4	72%	0.719	74%	0.743	S	S	*	*			trans	77.9	120.4	157.8	0	0	0	0	0	119.9
587	K	25.1	Very low	29.5	Very low	167 Å²	167	150.3 Å²	150.3	73%	0.726	74%	0.735	S	S	*	*				70.4	126.6	67.7	-91.4	173.4	170.8	169.4	0	112.4
588	W	24.8	Very low	29.2	Very low	186 Å²	186	147 Å²	147	71%	0.705	73%	0.733	S	S	*	*			cis	-168.1	162	35.3	-81.6	109.9	0	0	0	113.5
589	K	25.5	Very low	29.2	Very low	162 Å²	162	147.7 Å²	147.7	70%	0.704	74%	0.74	S	S	*	*			trans	63.6	164.9	139	-74.5	169.6	-177.8	179	0	120.7
590	Y	24.8	Very low	29.1	Very low	196 Å²	196	148.5 Å²	148.5	77%	0.769	74%	0.741	S	S	*	*			cis	-176.5	156.5	-34	-158	-84.8	0	0	0	109.9
591	K	25.5	Very low	29.1	Very low	173 Å²	173	148.9 Å²	148.9	75%	0.752	74%	0.74	S	S	*	*			trans	82.4	119	159.6	-109.4	157.8	-169.2	-177.8	0	122.9
592	N	28.6	Very low	29.1	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	74%	0.74	S	S	*	*			trans	-33	161.6	150.8	-35.4	-14.3	0	0	0	117.7
593	S	26	Very low	29.3	Very low	120 Å²	120	149 Å²	149	84%	0.839	74%	0.739	S	S	*	*				-171.8	161.4	106.8	-76.1	0	0	0	0	114.8
594	K	29.3	Very low	29.5	Very low	193 Å²	193	146.4 Å²	146.4	84%	0.839	73%	0.73	S	S	*	*			trans	-92.8	-162.7	163.1	-60.3	-174.9	172.3	-172.2	0	108.9
595	P	53.6	Low	29.5	Very low	112 Å²	112	146.1 Å²	146.1	73%	0.727	73%	0.731	S	S	*	*			cis	-138.9	-156.7	-4.5	50.9	-32.1	0	0	0	112.4
596	D	28.2	Very low	29.7	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	72%	0.718	S	S	*	*			cis	-159.5	174.9	-13.3	-145.7	-96.4	0	0	0	111.5
597	S	35.5	Very low	29.5	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	72%	0.723	S	S	*	*			trans	66.2	167.6	148.3	-79.8	0	0	0	0	120.1
598	L	29.7	Very low	29.4	Very low	142 Å²	142	147.3 Å²	147.3	74%	0.743	72%	0.724	S	S	*	*			cis	-154.4	128.4	18.8	-158.8	120.4	0	0	0	114.9
599	L	30.9	Very low	29.6	Very low	144 Å²	144	148.4 Å²	148.4	75%	0.754	73%	0.728	S	S	*	*			trans	59.7	163.7	158.1	-68.3	-177.2	0	0	0	119.9
600	K	27.9	Very low	29.9	Very low	162 Å²	162	147.6 Å²	147.6	70%	0.704	73%	0.73	S	S	*	*			cis	-150.7	143.5	17	-152.7	166.2	-179.7	-178.4	0	113.7
601	M	26.9	Very low	30.3	Very low	125 Å²	125	143.5 Å²	143.5	62%	0.616	73%	0.727	S	S	*	*			trans	29.5	132	148.5	-61.4	159.1	51.3	0	0	119.2
602	E	33.9	Very low	30.4	Very low	159 Å²	159	142.6 Å²	142.6	74%	0.743	73%	0.73	S	S	*	*			cis	-160.3	-164.4	5.4	-125.9	132.7	-154.7	0	0	107.5
603	E	28.2	Very low	30.2	Very low	163 Å²	163	141 Å²	141	76%	0.762	73%	0.731	S	S	*	*			cis	-146.5	-143.3	13.9	-151.6	-129.4	80.9	0	0	111.2
604	E	32.5	Very low	30.1	Very low	125 Å²	125	139 Å²	139	58%	0.584	73%	0.729	S	S	*	*			trans	-125.1	173.9	-169.8	-38.1	-159.2	121.4	0	0	112.5	K606	E604-K606 WeakPolarHBondContact OE1-CE 3.38Å; E604-K606 IonicContact OE1-NZ 2.94Å; E604-K606 PolarHBondContact OE1-NZ 3.05Å; E604-K606 IonicContact OE2-NZ 3.43Å; E604-K606 PolarHBondContact OE2-NZ 3.48Å
605	C	26.1	Very low	30	Very low	102 Å²	102	137 Å²	137	69%	0.689	73%	0.727	S	S	*	*			cis	-149.2	173.8	12.4	-99.4	0	0	0	0	108.9
606	K	30.8	Very low	28.8	Very low	131 Å²	131	140.3 Å²	140.3	57%	0.57	73%	0.73	S	S	*	*			cis	-172.2	169.7	-37.9	-103.6	169.8	-156.8	158.7	0	107.5	E604	E604-K606 WeakPolarHBondContact OE1-CE 3.38Å; E604-K606 IonicContact OE1-NZ 2.94Å; E604-K606 PolarHBondContact OE1-NZ 3.05Å; E604-K606 IonicContact OE2-NZ 3.43Å; E604-K606 PolarHBondContact OE2-NZ 3.48Å
607	F	25.5	Very low	28.8	Very low	189 Å²	189	141.7 Å²	141.7	83%	0.829	74%	0.737	S	S	*	*			trans	69.8	138.3	173	-61.5	-82.6	0	0	0	120.4
608	D	23.6	Very low	28.4	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	75%	0.746	S	S	*	*			cis	-162.4	173.1	-37.6	-132.5	-48.5	0	0	0	113.2
609	R	27.6	Very low	28.2	Very low	210 Å²	210	149.1 Å²	149.1	79%	0.792	75%	0.746	S	S	*	*			trans	-140.4	131.1	177.2	-90.7	-172.1	171.5	-171.2	0.3	115.2
610	I	33.4	Very low	27.9	Very low	144 Å²	144	146.5 Å²	146.5	74%	0.738	74%	0.74	S	S	*	*			trans	41.7	132.4	130.8	-46.3	165.5	0	0	0	119.7
611	P	33	Very low	27.7	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	75%	0.746	S	S	*	*			trans	-123.6	128.3	153.8	34.6	-21.7	0	0	0	116.5
612	L	27	Very low	27.6	Very low	155 Å²	155	147.3 Å²	147.3	81%	0.812	75%	0.75	S	S	*	*				50	116.6	126.9	-56.7	175.6	0	0	0	120.1
613	S	24.8	Very low	27.3	Very low	114 Å²	114	147 Å²	147	80%	0.797	75%	0.751	S	S	*	*				91	130.2	66.5	82.9	0	0	0	0	115.4
614	G	24.5	Very low	27.3	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	74%	0.742	S	S	*	*			trans	178.4	76.5	177.1	0	0	0	0	0	120.7
615	N	26.1	Very low	27.1	Very low	152 Å²	152	144.3 Å²	144.3	81%	0.813	75%	0.747	S	S	*	*			trans	44.9	140.5	135	-130	-15.8	0	0	0	125.1
616	K	27.8	Very low	27.3	Very low	180 Å²	180	149.5 Å²	149.5	78%	0.783	75%	0.752	S	S	*	*			trans	80.6	140.5	155	-67.5	-175.5	179.2	175.2	0	122.9
617	D	28	Very low	27.1	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	76%	0.756	S	S	*	*			trans	-66.3	151.9	168.2	-45.1	-101	0	0	0	114.2
618	R	28.1	Very low	27.4	Very low	224 Å²	224	147.8 Å²	147.8	85%	0.845	75%	0.75	S	S	*	*				-171.6	136.3	123	-105.1	-176.4	174.7	-178.6	-2	113.8
619	F	25.8	Very low	27.6	Very low	168 Å²	168	144.2 Å²	144.2	74%	0.737	74%	0.74	S	S	*	*			trans	35.3	109.1	154.9	-63.2	-70.7	0	0	0	121.5
620	S	24.3	Very low	27.5	Very low	90 Å²	90	138.3 Å²	138.3	63%	0.629	73%	0.731	S	S	*	*			trans	-22.3	154.1	132.3	57.6	0	0	0	0	117.7
621	F	24.4	Very low	27.3	Very low	188 Å²	188	135.6 Å²	135.6	83%	0.825	73%	0.725	S	S	*	*				-156.4	166.2	113.8	-112.8	-73.1	0	0	0	113.4
622	T	24.3	Very low	27	Very low	116 Å²	116	139.2 Å²	139.2	71%	0.712	73%	0.729	S	S	*	*			trans	-85.2	-175.5	176.4	54.7	0	0	0	0	110.5
623	M	27.4	Very low	27.1	Very low	152 Å²	152	137.7 Å²	137.7	75%	0.749	73%	0.727	S	S	*	*			cis	-159	-179.3	23.6	-147.4	-173.3	86.7	0	0	112.5
624	S	28.2	Very low	27.1	Very low	84 Å²	84	140.7 Å²	140.7	59%	0.587	73%	0.733	S	S	*	*			trans	-74	163	178.1	50.7	0	0	0	0	113.7
625	H	29.3	Very low	27.6	Very low	147 Å²	147	145.9 Å²	145.9	68%	0.681	73%	0.733	S	S	*	*				-168	161.3	97.6	-116.1	-108.6	0	0	0	116.7
626	R	28.5	Very low	28.3	Very low	212 Å²	212	143.2 Å²	143.2	80%	0.8	72%	0.724	S	S	*	*			trans	-28.3	149.2	169.9	-57.8	172.1	167.7	-169.3	-5.1	117.7
627	K	28.4	Very low	28.2	Very low	151 Å²	151	142.8 Å²	142.8	66%	0.657	73%	0.725	S	S	*	*				-168.6	154.2	102.4	-107.6	-177.4	-170.8	177.8	0	118.1
628	L	30.3	Very low	28.1	Very low	132 Å²	132	139.9 Å²	139.9	69%	0.691	71%	0.713	S	S	*	*			trans	-50.7	129.3	-179.2	-77.2	152.8	0	0	0	119.3	S1013	L628-S1013 WeakPolarHBondContact O-CB 3.41Å; L628-S1013 PolarHBondContact O-OG 2.84Å
629	A	27.7	Very low	27.9	Very low	67 Å²	67	136.2 Å²	136.2	55%	0.554	71%	0.71	S	S	*	*				90.5	145.3	109.8	0	0	0	0	0	122.7
630	S	25.7	Very low	28	Very low	85 Å²	85	133.1 Å²	133.1	59%	0.594	71%	0.71	S	S	*	*			trans	69.9	150.6	161.4	-83.8	0	0	0	0	118.6
631	S	30.8	Very low	28.1	Very low	87 Å²	87	134.3 Å²	134.3	61%	0.608	72%	0.718	S	S	*	*			cis	-175.4	159.9	-24.2	50.3	0	0	0	0	110
632	K	26.6	Very low	28.3	Very low	187 Å²	187	132.4 Å²	132.4	81%	0.813	72%	0.715	S	S	*	*			trans	66	101.9	157.2	-76.4	-176.9	176.7	-174.1	0	117.6
633	T	28.5	Very low	28.5	Very low	123 Å²	123	136.2 Å²	136.2	76%	0.755	72%	0.722	S	S	*	*				42.1	122.5	118.6	59	0	0	0	0	119
634	L	25	Very low	28.4	Very low	177 Å²	177	132.6 Å²	132.6	93%	0.927	72%	0.723	S	S	*	*				-154.4	138.2	111.5	-104.8	163.9	0	0	0	112.2
635	K	34.2	Very low	28.6	Very low	186 Å²	186	133.7 Å²	133.7	81%	0.809	73%	0.731	S	S	*	*			trans	-85	175.1	156.2	-97.3	-176.4	178.6	-176.1	0	107.7
636	P	41	Very low	28.6	Very low	96 Å²	96	133.4 Å²	133.4	62%	0.623	73%	0.733	S	S	*	*			cis	-137.6	-166	-27.8	39	-20.9	0	0	0	111.9
637	Q	26.1	Very low	28.8	Very low	170 Å²	170	130.2 Å²	130.2	79%	0.794	73%	0.728	S	S	*	*			trans	65.4	160.6	154.9	-70.3	-170.3	-61.5	0	0	116.9
638	T	24.9	Very low	28.9	Very low	95 Å²	95	128.3 Å²	128.3	58%	0.583	73%	0.725	S	S	*	*			cis	-162.1	147.2	-15.9	19.7	0	0	0	0	108.8
639	N	25.5	Very low	29	Very low	148 Å²	148	128 Å²	128	79%	0.791	72%	0.723	S	S	*	*			trans	65.2	154.2	150	-60.5	-5.9	0	0	0	117.5
640	S	26.6	Very low	29.1	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	73%	0.729	S	S	*	*			cis	-172.8	161.5	-15	47.2	0	0	0	0	111.6
641	S	26.1	Very low	29.4	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	73%	0.729	S	S	*	*			trans	82.5	173	154.5	-152	0	0	0	0	119.1
642	I	30.2	Very low	29.3	Very low	147 Å²	147	135.8 Å²	135.8	75%	0.754	73%	0.731	S	S	*	*			trans	77.7	124.6	-178.9	-59.2	171	0	0	0	114
643	F	28.1	Very low	29.5	Very low	197 Å²	197	134.6 Å²	134.6	86%	0.864	73%	0.725	S	S	*	*			cis	-147.3	155.5	-3.3	-128.5	-143.7	0	0	0	108.5
644	G	25.6	Very low	29.5	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	73%	0.729	S	S	*	*				74.3	122.4	106.6	0	0	0	0	0	114.6
645	S	31.1	Very low	29.7	Very low	108 Å²	108	135.9 Å²	135.9	76%	0.755	72%	0.724	S	S	*	*			cis	-158	154.6	42	-165	0	0	0	0	114.4
646	L	30.7	Very low	30	Very low	140 Å²	140	132.5 Å²	132.5	73%	0.733	72%	0.721	S	S	*	*			trans	1.3	148.5	150.2	-48.1	175.3	0	0	0	119
647	Q	32.6	Very low	29.3	Very low	145 Å²	145	134.2 Å²	134.2	68%	0.678	73%	0.73	S	S	*	*			cis	-170.3	176.2	-3	-109.8	177.7	-67.6	0	0	105.5
648	N	30.4	Very low	29.4	Very low	112 Å²	112	135.4 Å²	135.4	60%	0.599	73%	0.727	S	S	*	*			cis	-159.3	173.3	2.6	-100.5	-27.3	0	0	0	103.7
649	L	31.6	Very low	29.6	Very low	124 Å²	124	136.2 Å²	136.2	65%	0.649	73%	0.728	S	S	*	*			cis	-166.8	-169.3	-17.6	-103.3	168.5	0	0	0	103.5
650	K	30.7	Very low	29.9	Very low	155 Å²	155	136.3 Å²	136.3	67%	0.674	72%	0.723	S	S	*	*			cis	-155	-179.8	-4	-118.3	-150.2	-172.4	-66.1	0	103
651	E	30.4	Very low	30	Very low	131 Å²	131	140.5 Å²	140.5	61%	0.612	73%	0.725	S	S	*	*			cis	-177.1	144.4	-47.5	-101.5	174.8	-133.2	0	0	103.8
652	D	29.5	Very low	30.1	Very low	118 Å²	118	142.8 Å²	142.8	63%	0.631	72%	0.723	S	S	*	*			cis	-169.1	171.4	-7.9	-179.7	25.1	0	0	0	107.7
653	K	30.1	Very low	30.5	Very low	162 Å²	162	145.9 Å²	145.9	70%	0.704	73%	0.726	S	S	*	*			trans	76.1	149.6	168.2	-56.6	157.6	-177.5	73.5	0	115.7
654	T	28.5	Very low	30.5	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	72%	0.72	S	S	*	*			cis	-148.2	159.3	3.9	-12.5	0	0	0	0	112.4
655	K	30.3	Very low	31.1	Very low	193 Å²	193	143.6 Å²	143.6	84%	0.839	72%	0.718	S	S	*	*			trans	-86	172	161.6	-72.7	-175.2	177.5	-177.8	0	109.5
656	P	39.5	Very low	31.3	Very low	114 Å²	114	146 Å²	146	74%	0.74	72%	0.722	S	S	*	*			cis	-156.6	-175.2	30.8	43.3	-19.9	0	0	0	120.9
657	V	27	Very low	31.5	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	73%	0.73	S	S	*	*			trans	89.9	130.9	137.4	141.5	0	0	0	0	124
658	R	27.1	Very low	31.4	Very low	194 Å²	194	145.4 Å²	145.4	73%	0.732	74%	0.737	S	S	*	*			trans	56.7	122.4	154.1	-72.1	-163.9	108.1	-179.2	-0	126
659	D	30.9	Very low	31.7	Very low	113 Å²	113	147.6 Å²	147.6	60%	0.604	74%	0.744	S	S	*	*				50.7	135.8	109.6	-50.3	-20.2	0	0	0	125
660	E	30.1	Very low	31.7	Very low	149 Å²	149	149.8 Å²	149.8	70%	0.696	76%	0.755	S	S	*	*			trans	90	147.2	135.8	-86.5	172.7	-179.9	0	0	123.2
661	Y	30.5	Very low	31.6	Very low	191 Å²	191	149.6 Å²	149.6	75%	0.749	75%	0.754	S	S	*	*			trans	64.3	151.7	169.4	-72.9	-74.1	0	0	0	118.7
662	E	27.3	Very low	31.6	Very low	164 Å²	164	150.7 Å²	150.7	77%	0.766	76%	0.763	S	S	*	*			cis	-146.6	179.2	-4.8	-162.4	142.5	-148.3	0	0	112
663	Y	38.1	Very low	31.5	Very low	211 Å²	211	152.5 Å²	152.5	83%	0.827	77%	0.772	S	S	*	*			trans	-102.3	126.1	174.6	-142.2	-88.3	0	0	0	109.9
664	V	28.5	Very low	31.5	Very low	121 Å²	121	152.1 Å²	152.1	73%	0.733	77%	0.773	S	S	*	*			trans	-135.6	131.5	171	-178.4	0	0	0	0	109.7
665	S	39	Very low	31.4	Very low	104 Å²	104	154.4 Å²	154.4	73%	0.727	77%	0.772	S	S	*	*			trans	-102.3	140.8	163.6	-60.5	0	0	0	0	108.1
666	D	34.8	Very low	31.7	Very low	158 Å²	158	150.6 Å²	150.6	85%	0.845	77%	0.767	S	S	*	*			trans	-144.9	147.3	166	-109.5	-36.8	0	0	0	110.9
667	E	34.2	Very low	31.4	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	77%	0.77	S	S	*	*			trans	-103.6	145.4	176.9	-61.1	-172.4	178.2	0	0	110.2
668	G	32	Very low	31.5	Very low	79 Å²	79	157.6 Å²	157.6	81%	0.814	77%	0.774	S	S	*	*			trans	-173.9	112.4	177.3	0	0	0	0	0	114.3
669	E	35.2	Very low	31.8	Very low	158 Å²	158	159.7 Å²	159.7	74%	0.738	78%	0.782	S	S	*	*			trans	-71.4	140.6	166.5	-71.2	-164.9	107.6	0	0	111.1	K671	E669-K671 IonicContact OE1-NZ 3.91Å; E669-K671 PolarHBondContact OE1-NZ 3.37Å; E669-K671 IonicContact OE2-NZ 3.82Å
670	L	32.2	Very low	31.7	Very low	171 Å²	171	164.4 Å²	164.4	90%	0.895	80%	0.797	S	S	*	*			trans	-135.9	134.1	148.2	-76.9	179.7	0	0	0	110.5
671	K	28.7	Very low	31.7	Very low	150 Å²	150	166.7 Å²	166.7	65%	0.652	81%	0.805	S	S	*	*			trans	-97.5	-158	168	-66.1	-178.7	174.9	73.9	0	108.7	E669	E669-K671 IonicContact OE1-NZ 3.91Å; E669-K671 PolarHBondContact OE1-NZ 3.37Å; E669-K671 IonicContact OE2-NZ 3.82Å
672	I	30.3	Very low	31.6	Very low	154 Å²	154	164.7 Å²	164.7	79%	0.79	81%	0.807	S	S	*	*			trans	84.3	127.3	-177	-50.6	159	0	0	0	110.7
673	D	27.9	Very low	31.6	Very low	156 Å²	156	162.2 Å²	162.2	83%	0.834	80%	0.803	S	S	*	*			cis	-142.9	160.9	1.7	-128.6	-16.5	0	0	0	112.4
674	E	29.8	Very low	31.1	Very low	154 Å²	154	157.9 Å²	157.9	72%	0.72	80%	0.798	S	S	*	*			trans	-127.7	143.7	166.9	-179.7	-176.9	173.1	0	0	109.5
675	F	26.9	Very low	31.2	Very low	183 Å²	183	161.3 Å²	161.3	80%	0.803	80%	0.803	S	S	*	*			trans	147.8	166.5	148.3	-81.3	-49.1	0	0	0	111.9
676	P	36.6	Very low	30.6	Very low	112 Å²	112	166.1 Å²	166.1	73%	0.727	81%	0.806	S	S	*	*			cis	-127.6	146.8	-10.7	26.7	-6.9	0	0	0	115.1
677	I	31.6	Very low	30.2	Very low	157 Å²	157	163.5 Å²	163.5	81%	0.805	79%	0.792	S	S	*	*			trans	-98.7	127.5	159.2	-66.1	-179.8	0	0	0	110.3
678	R	30.1	Very low	30	Very low	237 Å²	237	161.1 Å²	161.1	89%	0.894	78%	0.784	S	S	*	*			trans	-73.2	132	177.7	-66.9	172.3	170.3	169.5	-4.3	112.4
679	R	32.2	Very low	29.7	Very low	239 Å²	239	162.5 Å²	162.5	90%	0.902	78%	0.782	S	S	*	*			trans	-155.8	164.8	149.2	-107.1	154.5	-168.9	136.3	2.6	111.1
680	K	30.8	Very low	29.2	Very low	211 Å²	211	164.2 Å²	164.2	92%	0.917	79%	0.787	S	S	*	*			trans	-98	148.2	-158.8	-71.5	-178	177.1	178.3	0	115
681	K	29.8	Very low	29.1	Very low	197 Å²	197	162.3 Å²	162.3	86%	0.857	78%	0.777	S	S	*	*			trans	-24.5	136.4	170.7	-71.2	179.7	170.8	-179.8	0	118
682	N	27.4	Very low	29.1	Very low	149 Å²	149	159.9 Å²	159.9	80%	0.797	78%	0.779	S	S	*	*			trans	179.3	145.5	130.4	-96.5	5.4	0	0	0	109.8
683	T	27.1	Very low	29	Very low	112 Å²	112	158.9 Å²	158.9	69%	0.687	78%	0.775	S	S	*	*			cis	-161.6	159.6	-13.9	0.7	0	0	0	0	111.3
684	V	28.4	Very low	29.1	Very low	120 Å²	120	159.5 Å²	159.5	73%	0.727	78%	0.777	S	S	*	*			trans	50.6	107.7	152.6	-178.8	0	0	0	0	120.1
685	K	29.3	Very low	29	Very low	193 Å²	193	162.5 Å²	162.5	84%	0.839	78%	0.782	S	S	*	*				42.1	143.4	127.3	-59.4	-178.8	-178.7	-177.2	0	119.7
686	R	27.7	Very low	29	Very low	206 Å²	206	161.6 Å²	161.6	78%	0.777	78%	0.78	S	S	*	*			cis	-163.3	166.7	20	-122.8	-168.4	103.5	-146	-4.1	106.5
687	D	26.4	Very low	29.7	Very low	103 Å²	103	160.7 Å²	160.7	55%	0.551	77%	0.774	S	S	*	*			cis	-167.5	177.7	-7.6	-154.3	-1.4	0	0	0	110.3
688	L	28.7	Very low	29.5	Very low	142 Å²	142	161.5 Å²	161.5	74%	0.743	78%	0.779	S	S	*	*			trans	65.7	144.3	164.5	-58.5	170.9	0	0	0	117.4
689	S	27.3	Very low	29.6	Very low	109 Å²	109	158 Å²	158	76%	0.762	77%	0.773	S	S	*	*			cis	-159.5	155.6	-19.3	45	0	0	0	0	109.3
690	F	24.1	Very low	30.1	Very low	194 Å²	194	152.1 Å²	152.1	85%	0.851	77%	0.765	S	S	*	*			trans	-127.5	162.6	-165.7	-130.6	-116	0	0	0	111.5
691	L	29.6	Very low	30.2	Very low	130 Å²	130	145.8 Å²	145.8	68%	0.681	75%	0.753	S	S	*	*			trans	74.2	163.3	164.3	-55.3	171.5	0	0	0	117.2
692	S	28.8	Very low	30.1	Very low	100 Å²	100	145.4 Å²	145.4	70%	0.699	75%	0.751	S	S	*	*			cis	-154.5	139.8	10.9	-5.9	0	0	0	0	114.5
693	D	29.6	Very low	30.3	Very low	132 Å²	132	148.3 Å²	148.3	71%	0.706	76%	0.757	S	S	*	*				50.9	144.5	113.9	-43.2	-22.5	0	0	0	124.6
694	I	28.9	Very low	30.5	Very low	170 Å²	170	147.7 Å²	147.7	87%	0.872	76%	0.762	S	S	*	*			trans	-145.2	147.5	156.9	-60.2	-179	0	0	0	107.1
695	R	27.9	Very low	30.6	Very low	217 Å²	217	151.2 Å²	151.2	82%	0.819	77%	0.768	S	S	*	*			cis	175.2	152.6	-29.4	-174.7	-178.5	-174.9	-175.1	3.5	107.1
696	E	27.7	Very low	30.5	Very low	164 Å²	164	146.1 Å²	146.1	77%	0.766	76%	0.757	S	S	*	*			trans	155.5	164.6	145.6	-81.8	-98.3	101.9	0	0	110.8
697	P	51.3	Low	30.4	Very low	92 Å²	92	145 Å²	145	60%	0.597	76%	0.76	S	S	*	*				-138.4	175.9	-69.4	38.5	-19.7	0	0	0	114.7
698	L	27.4	Very low	31	Very low	175 Å²	175	144.6 Å²	144.6	92%	0.916	76%	0.764	S	S	*	*			trans	178.9	173.8	134.8	-95.7	165.9	0	0	0	112
699	Q	30.6	Very low	31.1	Very low	164 Å²	164	145.2 Å²	145.2	77%	0.766	77%	0.767	S	S	*	*			trans	-133	174.5	-164.2	-87.2	-96.1	-7.6	0	0	110.3
700	P	43.7	Very low	31	Very low	114 Å²	114	146 Å²	146	74%	0.74	77%	0.767	S	S	*	*			cis	-151.4	163	30.9	43.4	-21.7	0	0	0	122.7
701	A	32.1	Very low	31.1	Very low	79 Å²	79	143 Å²	143	65%	0.653	76%	0.764	S	S	*	*			trans	72.3	156.1	146.8	0	0	0	0	0	120.2
702	K	29.2	Very low	31	Very low	189 Å²	189	145.1 Å²	145.1	82%	0.822	77%	0.768	S	S	*	*			cis	-141.4	145.2	11.7	-71.8	174.5	178.2	168.4	0	113
703	K	31.3	Very low	30.7	Very low	210 Å²	210	143.9 Å²	143.9	91%	0.913	76%	0.759	S	S	*	*			trans	47	131.4	154.3	-59.7	179	179	-174.7	0	118.7
704	A	29.8	Very low	30.6	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	76%	0.76	S	S	*	*			cis	-165.2	-159.1	-8.8	0	0	0	0	0	105.5
705	K	31.7	Very low	30.4	Very low	194 Å²	194	142.3 Å²	142.3	84%	0.843	76%	0.757	S	S	*	*			cis	-165.5	169.3	-3.8	-142.3	-164.7	149.9	-141.1	0	104.6
706	S	26	Very low	30.4	Very low	86 Å²	86	137 Å²	137	60%	0.601	75%	0.753	S	S	*	*			cis	-139	-99.5	7.1	-52.3	0	0	0	0	113.5
707	Q	25.6	Very low	30.4	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	75%	0.747	S	S	*	*			trans	-178.6	172.6	-158.6	-107.3	-164.6	10.8	0	0	109.8
708	P	40.8	Very low	29.3	Very low	95 Å²	95	135.9 Å²	135.9	62%	0.617	75%	0.754	S	S	*	*			cis	-140.1	178.6	-13.6	35	-14.6	0	0	0	117.1
709	L	29.5	Very low	29.4	Very low	155 Å²	155	135.3 Å²	135.3	81%	0.812	75%	0.747	S	S	*	*			trans	70.3	174.6	164.1	-99.9	63.1	0	0	0	117
710	V	26.4	Very low	29.4	Very low	126 Å²	126	134.4 Å²	134.4	76%	0.764	74%	0.743	S	S	*	*			cis	-139.8	-167.6	20.6	-140.9	0	0	0	0	113.5
711	T	25.9	Very low	28.6	Very low	129 Å²	129	133.5 Å²	133.5	79%	0.791	74%	0.735	S	S	*	*			trans	-142.7	-169.8	-176.3	51.4	0	0	0	0	110.6
712	K	26.4	Very low	28.6	Very low	176 Å²	176	136.2 Å²	136.2	77%	0.765	74%	0.738	S	S	*	*			cis	-167.3	123.8	21.6	-174	-156	163.8	-84.9	0	114.1
713	S	23.7	Very low	28.6	Very low	74 Å²	74	134.9 Å²	134.9	52%	0.517	74%	0.735	S	S	.	*			trans	51.4	138.6	146.2	78.6	0	0	0	0	125.8
714	V	26.6	Very low	28.8	Very low	117 Å²	117	131 Å²	131	71%	0.709	72%	0.723	S	S	*	*				69.1	138.8	125.8	172.4	0	0	0	0	121.8
715	D	24.3	Very low	28.8	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	72%	0.723	S	S	*	*			trans	61.1	171.7	163.6	-71.8	-16.1	0	0	0	118.5
716	S	28.7	Very low	28.9	Very low	106 Å²	106	129.8 Å²	129.8	74%	0.741	72%	0.715	S	S	*	*			cis	-174.3	178.2	-38.2	-173.1	0	0	0	0	107.7
717	S	26.7	Very low	29.1	Very low	92 Å²	92	134.7 Å²	134.7	64%	0.643	73%	0.729	S	S	*	*			trans	71.6	115	157.4	-165.4	0	0	0	0	120.1
718	D	29	Very low	29.6	Very low	140 Å²	140	129.6 Å²	129.6	75%	0.749	72%	0.718	S	S	*	*				68	137.4	125.3	-60.3	-55.2	0	0	0	127
719	E	29.6	Very low	29.1	Very low	162 Å²	162	134.3 Å²	134.3	76%	0.757	73%	0.729	S	S	*	*			trans	79	144.2	132.9	-70.1	-72.9	67.4	0	0	127.6
720	E	30.6	Very low	29.4	Very low	145 Å²	145	131.4 Å²	131.4	68%	0.678	72%	0.72	S	S	*	*			trans	55.4	112.4	144.6	-73.1	-123	84.1	0	0	125.3
721	T	27.5	Very low	29.5	Very low	96 Å²	96	134.1 Å²	134.1	59%	0.589	72%	0.724	S	S	*	*				52.3	121.3	126.4	63.9	0	0	0	0	125.8
722	L	30.5	Very low	29.7	Very low	135 Å²	135	132.9 Å²	132.9	71%	0.707	72%	0.716	S	S	*	*				59.1	127.3	123.5	-54.7	173.7	0	0	0	121.5
723	H	29.6	Very low	29.7	Very low	162 Å²	162	132.2 Å²	132.2	75%	0.75	71%	0.713	S	S	*	*				178.5	115.8	107.5	-92	78	0	0	0	108.3
724	I	35.4	Very low	29.8	Very low	129 Å²	129	133.7 Å²	133.7	66%	0.662	72%	0.723	S	S	*	*				63.8	111	92	-63.5	175.3	0	0	0	113.9
725	D	29.8	Very low	29.9	Very low	155 Å²	155	138.8 Å²	138.8	83%	0.829	73%	0.73	S	S	*	*				-154.5	-179.1	111.2	-139	-26.2	0	0	0	113.1
726	T	33.5	Very low	29.9	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	72%	0.724	S	S	*	*			trans	-144.5	134.4	-142.6	-34.1	0	0	0	0	114.3
727	E	32	Very low	29.9	Very low	189 Å²	189	137.8 Å²	137.8	88%	0.883	72%	0.724	S	S	*	*			trans	-140.1	149.2	154.9	-81.1	-143.9	129	0	0	114.4
728	A	34.8	Very low	29.9	Very low	77 Å²	77	142.7 Å²	142.7	64%	0.636	73%	0.734	S	S	*	*			trans	-8.4	153.4	156.7	0	0	0	0	0	120
729	K	31.1	Very low	29.7	Very low	194 Å²	194	141.5 Å²	141.5	84%	0.843	73%	0.732	S	S	*	*			cis	-176.8	172.7	1.9	-107.9	172.1	-177.4	170.2	0	107.1
730	P	35.7	Very low	29.6	Very low	94 Å²	94	143.4 Å²	143.4	61%	0.61	74%	0.738	S	S	*	*			cis	-129.9	143.7	-42.8	32.1	-14.8	0	0	0	113.1
731	E	27.8	Very low	29.5	Very low	182 Å²	182	146 Å²	146	85%	0.85	75%	0.747	S	S	*	*			trans	66.1	139.2	138.6	-62.2	176.7	-155.3	0	0	119.1
732	V	29.7	Very low	29.7	Very low	104 Å²	104	151.3 Å²	151.3	63%	0.63	76%	0.762	S	S	*	*			cis	-170.7	154.3	12.1	111.9	0	0	0	0	107.9
733	K	28.1	Very low	29.6	Very low	161 Å²	161	150.9 Å²	150.9	70%	0.7	77%	0.77	S	S	*	*			cis	-145.2	142	-5.5	-122	135.6	-163.7	147.8	0	106.7
734	S	26	Very low	29.6	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	77%	0.77	S	S	*	*				57.2	126.1	102.9	-47.1	0	0	0	0	116.2
735	R	27.1	Very low	29.4	Very low	225 Å²	225	146 Å²	146	85%	0.849	78%	0.777	S	S	*	*			cis	78	114.4	27.9	-154.9	-178.4	-169.4	-169.1	5.6	115.3
736	N	25.3	Very low	29.5	Very low	129 Å²	129	143.2 Å²	143.2	69%	0.69	78%	0.776	S	S	*	*			trans	60.4	117.1	151.4	-64.9	12.9	0	0	0	123.3
737	S	29.4	Very low	29.4	Very low	107 Å²	107	142.9 Å²	142.9	75%	0.748	78%	0.784	S	S	*	*				59.7	146.7	126.3	74.9	0	0	0	0	124.5
738	K	24.8	Very low	29.4	Very low	195 Å²	195	136 Å²	136	85%	0.848	76%	0.764	S	S	*	*			trans	81.5	107.3	158.8	-76.9	-172.5	174.1	176.2	0	121.1
739	V	26.1	Very low	29.5	Very low	116 Å²	116	139.5 Å²	139.5	70%	0.703	77%	0.77	S	S	*	*				81.8	127.5	128	177	0	0	0	0	120.4
740	K	26.5	Very low	29.9	Very low	201 Å²	201	138.8 Å²	138.8	87%	0.874	78%	0.775	S	S	*	*			trans	63.2	130.7	174.5	-67.5	163.7	-177.3	174.8	0	113.1
741	K	28.2	Very low	30	Very low	200 Å²	200	138 Å²	138	87%	0.87	77%	0.766	S	S	*	*			cis	-167.6	156.4	49.6	-161.8	174.7	-174.4	177.9	0	110.3	S743	K741-S743 PolarHBondContact O-N 3.11Å
742	K	32.8	Very low	30.5	Very low	207 Å²	207	135.8 Å²	135.8	90%	0.9	76%	0.759	S	S	*	*			trans	-5.9	105.4	172.2	-64.5	-176.6	175.5	-173.7	0	118.6
743	S	28.1	Very low	30.7	Very low	127 Å²	127	139.3 Å²	139.3	89%	0.888	77%	0.773	S	S	*	*			trans	180	167.3	138.7	-165.9	0	0	0	0	109.1	K741	K741-S743 PolarHBondContact O-N 3.11Å
744	G	29.9	Very low	31.1	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	78%	0.777	S	S	*	*			trans	88.7	101.9	161.8	0	0	0	0	0	116.9
745	S	30	Very low	31.1	Very low	117 Å²	117	137.8 Å²	137.8	82%	0.818	77%	0.768	S	S	*	*			trans	-37.3	137.2	172.8	-172.1	0	0	0	0	118.7
746	A	32	Very low	31.4	Very low	96 Å²	96	133 Å²	133	79%	0.793	77%	0.769	S	S	*	*			trans	48.4	133.4	143.5	0	0	0	0	0	121.9
747	A	32.1	Very low	31.8	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	78%	0.776	S	S	*	*			trans	-99.5	153.6	159	0	0	0	0	0	110.5
748	G	31.6	Very low	31.8	Very low	45 Å²	45	139.7 Å²	139.7	46%	0.464	78%	0.781	S	S	.	*			trans	136.1	97.1	161.2	0	0	0	0	0	116.7	L750 D751	G748-L750 VanDerWaalsContact C-N 3.27Å; G748-D751 PolarHBondContact O-N 3.12Å
749	I	37.9	Very low	32.2	Very low	150 Å²	150	137.4 Å²	137.4	77%	0.769	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	40	153.2	-51.5	-173.9	0	0	0	109.4	L752	I749-L752 HydrophobicContact CD1-CD1 4.01Å; I749-L752 HydrophobicContact CG1-CD1 4.22Å; I749-L752 HydrophobicContact CG2-CB 4.13Å; I749-L752 HydrophobicContact CG2-CD1 4.39Å
750	L	39.5	Very low	32.3	Very low	178 Å²	178	135.7 Å²	135.7	93%	0.932	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	11.7	142.7	-117	170.3	0	0	0	110.8	G748	G748-L750 VanDerWaalsContact C-N 3.27Å
751	D	37.9	Very low	32.3	Very low	79 Å²	79	129.3 Å²	129.3	42%	0.422	78%	0.78	S	S	.	*	S	Bend	trans	-128.3	-0.9	-175.6	-161.1	21.3	0	0	0	114.3	G748 L753 Q754 A755	G748-D751 PolarHBondContact O-N 3.12Å; D751-L753 PolarHBondContact O-N 2.66Å; D751-Q754 PolarHBondContact O-N 2.94Å; D751-A755 PolarHBondContact O-N 3.35Å; D751-A755 PolarHBondContact OD1-N 2.81Å
752	L	37.8	Very low	32.4	Very low	135 Å²	135	127.4 Å²	127.4	71%	0.707	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	15	172.7	-132	164.9	0	0	0	113	I749	I749-L752 HydrophobicContact CD1-CD1 4.01Å; I749-L752 HydrophobicContact CG1-CD1 4.22Å; I749-L752 HydrophobicContact CG2-CB 4.13Å; I749-L752 HydrophobicContact CG2-CD1 4.39Å
753	L	34.4	Very low	32.4	Very low	177 Å²	177	124.1 Å²	124.1	93%	0.927	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	5.7	168.8	-98.3	170.2	0	0	0	113.1	D751	D751-L753 PolarHBondContact O-N 2.66Å
754	Q	35	Very low	32.5	Very low	168 Å²	168	127.9 Å²	127.9	79%	0.785	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	-1.9	-179.7	-164.1	152.3	-35.3	0	0	115.8	D751	D751-Q754 PolarHBondContact O-N 2.94Å
755	A	27.6	Very low	32.4	Very low	66 Å²	66	130.9 Å²	130.9	55%	0.545	77%	0.766	S	S	.	*			trans	-70.2	145.8	163.8	0	0	0	0	0	113.1	D751	D751-A755 PolarHBondContact O-N 3.35Å; D751-A755 PolarHBondContact OD1-N 2.81Å
756	S	32.6	Very low	32.9	Very low	125 Å²	125	131 Å²	131	87%	0.874	76%	0.762	S	S	*	*			trans	72	59	171.6	73.6	0	0	0	0	119
757	K	32.6	Very low	33.3	Very low	190 Å²	190	134 Å²	134	83%	0.826	77%	0.765	S	S	*	*			trans	-108.5	140	135.2	-106.2	-176.4	178	178.7	0	109.7
758	Q	31.4	Very low	33.6	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	76%	0.763	S	S	*	*			trans	67.7	83.2	170.5	-59.1	175	-83.8	0	0	117.8
759	V	32	Very low	33.9	Very low	147 Å²	147	141.6 Å²	141.6	89%	0.891	78%	0.783	S	S	*	*				-157.5	139.9	99.2	-86.3	0	0	0	0	105.9
760	G	28.6	Very low	33.9	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	78%	0.781	S	S	*	*			cis	100.3	109.1	26.5	0	0	0	0	0	108.5
761	G	26.7	Very low	34.1	Very low	67 Å²	67	137.5 Å²	137.5	69%	0.691	78%	0.777	S	S	*	*			cis	-170.1	-154.3	-0.8	0	0	0	0	0	109.2
762	I	28.9	Very low	34.3	Very low	160 Å²	160	137.3 Å²	137.3	82%	0.821	79%	0.786	S	S	*	*			trans	73.2	121.6	175.4	-50.9	168.9	0	0	0	112.5
763	D	33.1	Very low	34.7	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	78%	0.776	S	S	*	*			cis	-149.7	-178.3	-0.6	-113.3	-15.3	0	0	0	113
764	Y	30.6	Very low	35.3	Very low	207 Å²	207	130.4 Å²	130.4	81%	0.812	76%	0.762	S	S	*	*			trans	-58.5	164.9	-176.1	-67.5	-99.8	0	0	0	115.3
765	N	28.8	Very low	36.3	Very low	135 Å²	135	126.6 Å²	126.6	72%	0.722	75%	0.754	S	S	*	*			cis	-153.6	-176.9	26.6	-155.5	5.5	0	0	0	114.8
766	T	39.9	Very low	37.8	Very low	120 Å²	120	126.4 Å²	126.4	74%	0.736	75%	0.746	S	S	*	*			trans	-70.6	155.3	-168.8	55.5	0	0	0	0	118.7
767	N	41.2	Very low	38.5	Very low	159 Å²	159	127.1 Å²	127.1	85%	0.85	74%	0.736	S	S	*	*			trans	114.2	68.2	144.5	-161.3	40.4	0	0	0	118.7
768	S	36.8	Very low	39.7	Very low	118 Å²	118	124.8 Å²	124.8	83%	0.825	73%	0.728	S	S	*	*			trans	-165.5	155.8	152.9	48.8	0	0	0	0	111.3
769	Q	37.6	Very low	40.8	Very low	188 Å²	188	118.6 Å²	118.6	88%	0.879	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-100.6	143.6	168.2	-81.1	-173.9	-94.8	0	0	110.5
770	P	39.8	Very low	41.7	Very low	112 Å²	112	115.8 Å²	115.8	73%	0.727	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-76.3	154.8	169.4	32.9	-34.7	0	0	0	111.9
771	P	42.2	Very low	42.6	Very low	130 Å²	130	117.6 Å²	117.6	84%	0.844	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-73.3	162.4	-179.8	31	-36.1	0	0	0	113.5
772	A	41.9	Very low	44.2	Very low	75 Å²	75	116.4 Å²	116.4	62%	0.62	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-75	163.5	178	0	0	0	0	0	113.2
773	S	47.4	Very low	45	Very low	70 Å²	70	115.1 Å²	115.1	49%	0.49	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-73.4	151.4	-176.8	51.8	0	0	0	0	113.7	S775 T776 Q777	S773-S775 PolarHBondContact O-N 3.15Å; S773-T776 VanDerWaalsContact O-CB 3.27Å; S773-T776 WeakPolarHBondContact O-CB 3.2Å; S773-T776 PolarHBondContact O-N 3.21Å; S773-T776 PolarHBondContact O-OG1 2.96Å; S773-T776 PolarHBondContact OG-OG1 2.63Å; S773-Q777 PolarHBondContact O-N 2.93Å
774	P	46.2	Very low	45.5	Very low	97 Å²	97	113.6 Å²	113.6	63%	0.63	65%	0.646	S	S	*	*	H	α-helix	trans	-54.3	-44.5	-171.5	-29.1	35.6	0	0	0	115.2	T776 Q777 E778	P774-T776 PolarHBondContact O-N 2.9Å; P774-T776 VanDerWaalsContact O-N 3.14Å; P774-Q777 WeakPolarHBondContact O-CA 3.42Å; P774-Q777 WeakPolarHBondContact O-CB 3.4Å; P774-Q777 PolarHBondContact O-N 2.74Å; P774-E778 PolarHBondContact O-N 3.19Å
775	S	57.3	Low	46.1	Very low	88 Å²	88	107.8 Å²	107.8	62%	0.615	64%	0.635	S	S	*	*	H	α-helix	trans	-59.3	-27.4	177.9	173	0	0	0	0	113.3	S773 A779	S773-S775 PolarHBondContact O-N 3.15Å; S775-A779 WeakPolarHBondContact O-CB 3.2Å; S775-A779 PolarHBondContact O-N 2.74Å
776	T	58.1	Low	46.7	Very low	62 Å²	62	109.5 Å²	109.5	38%	0.38	64%	0.641	S	S	.	*	H	α-helix	trans	-73.8	-35.2	173.9	-40	0	0	0	0	111.3	S773 P774 I780	S773-T776 VanDerWaalsContact O-CB 3.27Å; S773-T776 WeakPolarHBondContact O-CB 3.2Å; S773-T776 PolarHBondContact O-N 3.21Å; S773-T776 PolarHBondContact O-OG1 2.96Å; S773-T776 PolarHBondContact OG-OG1 2.63Å; P774-T776 PolarHBondContact O-N 2.9Å; P774-T776 VanDerWaalsContact O-N 3.14Å; T776-I780 HydrophobicContact CG2-CD1 4.38Å; T776-I780 WeakPolarHBondContact O-CD1 3.42Å; T776-I780 VanDerWaalsContact O-CG1 3.29Å; T776-I780 WeakPolarHBondContact O-CG1 3.27Å; T776-I780 PolarHBondContact O-N 3.18Å; T776-I780 VanDerWaalsContact O-N 3.09Å
777	Q	46.6	Very low	46.9	Very low	141 Å²	141	107.2 Å²	107.2	66%	0.659	63%	0.634	S	S	*	*	H	α-helix	trans	-72.3	-38.8	179.3	-166.7	171.4	-3.4	0	0	111.5	S773 P774 I780 Q781	S773-Q777 PolarHBondContact O-N 2.93Å; P774-Q777 WeakPolarHBondContact O-CA 3.42Å; P774-Q777 WeakPolarHBondContact O-CB 3.4Å; P774-Q777 PolarHBondContact O-N 2.74Å; Q777-I780 PolarHBondContact O-N 3.01Å; Q777-Q781 WeakPolarHBondContact O-CB 3.21Å; Q777-Q781 PolarHBondContact O-N 3.28Å
778	E	58.8	Low	46.6	Very low	141 Å²	141	106.5 Å²	106.5	66%	0.659	63%	0.631	S	S	*	*	H	α-helix	trans	-64.3	-41.2	172.4	-66.9	175	145.4	0	0	112.1	P774 I780 Q781 G782	P774-E778 PolarHBondContact O-N 3.19Å; E778-I780 VanDerWaalsContact C-N 3.34Å; E778-I780 PolarHBondContact O-N 3.3Å; E778-Q781 PolarHBondContact O-N 3.39Å; E778-G782 PolarHBondContact O-N 2.81Å
779	A	54.9	Low	46.3	Very low	56 Å²	56	109.2 Å²	109.2	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-63	-39	174.6	0	0	0	0	0	112.5	S775 M783	S775-A779 WeakPolarHBondContact O-CB 3.2Å; S775-A779 PolarHBondContact O-N 2.74Å; A779-M783 WeakPolarHBondContact O-CG 3.44Å; A779-M783 PolarHBondContact O-N 3.36Å
780	I	50.1	Low	45.7	Very low	88 Å²	88	105.8 Å²	105.8	45%	0.451	63%	0.632	S	S	.	*	H	α-helix	trans	-67	-43.8	174.2	-70.2	164.2	0	0	0	110.6	T776 Q777 E778 G782 M783 L784	T776-I780 HydrophobicContact CG2-CD1 4.38Å; T776-I780 WeakPolarHBondContact O-CD1 3.42Å; T776-I780 VanDerWaalsContact O-CG1 3.29Å; T776-I780 WeakPolarHBondContact O-CG1 3.27Å; T776-I780 PolarHBondContact O-N 3.18Å; T776-I780 VanDerWaalsContact O-N 3.09Å; Q777-I780 PolarHBondContact O-N 3.01Å; E778-I780 VanDerWaalsContact C-N 3.34Å; E778-I780 PolarHBondContact O-N 3.3Å; I780-G782 PolarHBondContact O-N 3.08Å; I780-M783 PolarHBondContact O-N 3.26Å; I780-L784 HydrophobicContact CG2-CD1 3.82Å; I780-L784 HydrophobicContact CG2-CG 4.43Å; I780-L784 WeakPolarHBondContact O-CG 3.38Å; I780-L784 PolarHBondContact O-N 3.34Å
781	Q	47.3	Very low	45.2	Very low	117 Å²	117	106 Å²	106	55%	0.547	64%	0.636	S	S	.	*	H	α-helix	trans	-60.9	-44.7	177.6	-173	59.3	64.4	0	0	111.8	Q777 E778 M783 L784 S785	Q777-Q781 WeakPolarHBondContact O-CB 3.21Å; Q777-Q781 PolarHBondContact O-N 3.28Å; E778-Q781 PolarHBondContact O-N 3.39Å; Q781-M783 PolarHBondContact O-N 3.21Å; Q781-L784 PolarHBondContact O-N 2.63Å; Q781-S785 PolarHBondContact O-N 3.06Å; Q781-S785 PolarHBondContact O-OG 2.89Å
782	G	60.3	Low	44.5	Very low	43 Å²	43	105 Å²	105	44%	0.443	63%	0.632	S	S	.	*	H	α-helix	trans	-63.2	-36.9	177.1	0	0	0	0	0	113.7	E778 I780	E778-G782 PolarHBondContact O-N 2.81Å; I780-G782 PolarHBondContact O-N 3.08Å
783	M	46.6	Very low	43.7	Very low	133 Å²	133	109.6 Å²	109.6	66%	0.655	64%	0.641	S	S	*	*	H	α-helix	trans	-71.6	-35.6	174.4	-70.9	-172.4	-62.5	0	0	112.8	A779 I780 Q781 M786	A779-M783 WeakPolarHBondContact O-CG 3.44Å; A779-M783 PolarHBondContact O-N 3.36Å; I780-M783 PolarHBondContact O-N 3.26Å; Q781-M783 PolarHBondContact O-N 3.21Å; M783-M786 PolarHBondContact O-N 2.9Å
784	L	43.3	Very low	42.7	Very low	105 Å²	105	112.4 Å²	112.4	55%	0.55	66%	0.655	S	S	.	*	H	α-helix	trans	-71.5	-33.9	177.7	-71.2	171.3	0	0	0	112.5	I780 Q781 M786 A787	I780-L784 HydrophobicContact CG2-CD1 3.82Å; I780-L784 HydrophobicContact CG2-CG 4.43Å; I780-L784 WeakPolarHBondContact O-CG 3.38Å; I780-L784 PolarHBondContact O-N 3.34Å; Q781-L784 PolarHBondContact O-N 2.63Å; L784-M786 PolarHBondContact O-N 3.33Å; L784-A787 PolarHBondContact O-N 2.76Å
785	S	42.8	Very low	41.6	Very low	85 Å²	85	115.3 Å²	115.3	59%	0.594	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-13.7	174.8	-71.1	0	0	0	0	114.4	Q781	Q781-S785 PolarHBondContact O-N 3.06Å; Q781-S785 PolarHBondContact O-OG 2.89Å
786	M	42.3	Very low	40	Very low	171 Å²	171	117.6 Å²	117.6	84%	0.842	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	2.1	177	-66.3	-65.7	-68.1	0	0	113.8	M783 L784	M783-M786 PolarHBondContact O-N 2.9Å; L784-M786 PolarHBondContact O-N 3.33Å
787	A	43.8	Very low	38.4	Very low	72 Å²	72	121.4 Å²	121.4	60%	0.595	68%	0.679	S	S	*	*	S	Bend	trans	-106.3	-1.7	-169.1	0	0	0	0	0	115.4	L784	L784-A787 PolarHBondContact O-N 2.76Å
788	N	34.3	Very low	38	Very low	145 Å²	145	118.7 Å²	118.7	78%	0.775	67%	0.673	S	S	*	*			trans	-131.4	111.6	-177.8	-84.9	-34.2	0	0	0	111.7
789	L	30.2	Very low	36.2	Very low	174 Å²	174	122.8 Å²	122.8	91%	0.911	68%	0.683	S	S	*	*			trans	-172.5	116.9	140.8	-108.7	171.4	0	0	0	111.1
790	S	26.6	Very low	34.7	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	69%	0.692	S	S	*	*			trans	-147.4	110.2	164	-73.2	0	0	0	0	110
791	S	27.5	Very low	33.4	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	71%	0.712	S	S	*	*			trans	48.1	116.8	154.5	-50.1	0	0	0	0	123.1
792	S	27.9	Very low	32.4	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	72%	0.716	S	S	*	*			trans	73.1	111.6	141.8	-86.5	0	0	0	0	125.1
793	E	26.3	Very low	30.8	Very low	173 Å²	173	133.7 Å²	133.7	81%	0.808	74%	0.736	S	S	*	*				89.9	149	117.9	-88	-171.8	123.5	0	0	126.5
794	T	24.9	Very low	30	Very low	128 Å²	128	131.5 Å²	131.5	79%	0.785	73%	0.734	S	S	*	*			trans	79.8	84.3	162.8	52.9	0	0	0	0	123.1
795	L	24.7	Very low	29.2	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	75%	0.749	S	S	*	*				63.2	149	118.6	-135.8	72.2	0	0	0	125.1
796	E	23.1	Very low	28.5	Very low	136 Å²	136	136.3 Å²	136.3	64%	0.636	75%	0.752	S	S	*	*			trans	94.8	102.1	155.6	-67.8	-64.1	83.3	0	0	124
797	Q	24.3	Very low	27.8	Very low	142 Å²	142	134.6 Å²	134.6	66%	0.664	75%	0.746	S	S	*	*			trans	70.2	163.5	130.8	-66.2	-63	-39.8	0	0	120
798	P	37.4	Very low	27.4	Very low	84 Å²	84	135 Å²	135	55%	0.545	75%	0.745	S	S	.	*			cis	-136.9	164.5	13.7	44.1	-27.3	0	0	0	120.1
799	W	21.4	Very low	27.3	Very low	227 Å²	227	137 Å²	137	86%	0.86	75%	0.749	S	S	*	*			trans	70.7	145.4	150.2	-60.2	-29	0	0	0	120.1
800	S	22.8	Very low	27.1	Very low	95 Å²	95	131.6 Å²	131.6	66%	0.664	74%	0.735	S	S	*	*			cis	-169.9	146.1	-14.3	53.4	0	0	0	0	112.7
801	N	24.2	Very low	27.3	Very low	162 Å²	162	131.2 Å²	131.2	87%	0.866	73%	0.733	S	S	*	*			trans	53.8	141.6	153	-85.6	-10.8	0	0	0	120.3
802	S	26.1	Very low	27.4	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	74%	0.735	S	S	*	*			cis	-168.2	149.8	23.1	41.9	0	0	0	0	114.7
803	Q	26.6	Very low	27.4	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	73%	0.73	S	S	*	*			trans	64	146.5	146.3	-70.6	-179	5.4	0	0	121
804	S	28.7	Very low	27.6	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	73%	0.729	S	S	*	*			cis	-169.7	168	-13.3	57.4	0	0	0	0	113.6
805	K	27	Very low	27.8	Very low	196 Å²	196	136.4 Å²	136.4	85%	0.852	73%	0.726	S	S	*	*			trans	79.2	144	164.3	-59.5	174.7	-176.4	176.1	0	118.5
806	S	29.2	Very low	28.1	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	73%	0.726	S	S	*	*			cis	-161.1	175.4	-24.1	65.7	0	0	0	0	112
807	N	27.3	Very low	28.4	Very low	136 Å²	136	136.3 Å²	136.3	73%	0.727	73%	0.731	S	S	*	*			trans	76.6	159.5	170.4	-73.6	67.3	0	0	0	116.6
808	S	35	Very low	28.5	Very low	81 Å²	81	133.4 Å²	133.4	57%	0.566	74%	0.739	S	S	*	*			cis	179.5	146.7	-31.3	51.7	0	0	0	0	108.3
809	H	31.8	Very low	28.1	Very low	187 Å²	187	134.9 Å²	134.9	87%	0.866	76%	0.758	S	S	*	*			cis	-164.1	169.7	-10.3	-84.6	-37.6	0	0	0	106.2
810	G	26.9	Very low	28.4	Very low	60 Å²	60	128 Å²	128	62%	0.619	76%	0.757	S	S	*	*			cis	166.4	174.8	-2.5	0	0	0	0	0	112.1
811	S	29.6	Very low	28.7	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	77%	0.768	S	S	*	*			trans	65.1	107.6	160.3	-58.6	0	0	0	0	119.8
812	Q	31.2	Very low	28.9	Very low	188 Å²	188	124.9 Å²	124.9	88%	0.879	77%	0.769	S	S	*	*				89.5	148.2	92.2	-80.7	-174	9.1	0	0	115.1
813	A	27.6	Very low	29	Very low	78 Å²	78	124 Å²	124	65%	0.645	77%	0.774	S	S	*	*			cis	-163.4	150.5	-10.4	0	0	0	0	0	114.8
814	Y	28.8	Very low	29.3	Very low	202 Å²	202	121.1 Å²	121.1	79%	0.792	77%	0.774	S	S	*	*			trans	44.6	135	141.4	-79.4	-54.6	0	0	0	126.6
815	K	30.5	Very low	29.5	Very low	166 Å²	166	121.7 Å²	121.7	72%	0.722	78%	0.778	S	S	*	*				93.1	110	126.9	-83	167	-171	168.1	0	123.2
816	K	30.7	Very low	29.8	Very low	187 Å²	187	119.3 Å²	119.3	81%	0.813	78%	0.775	S	S	*	*				69.2	113.2	117.5	-109.9	-163.5	175.1	-170.8	0	121.8
817	S	28.6	Very low	30	Very low	105 Å²	105	118.6 Å²	118.6	73%	0.734	77%	0.77	S	S	*	*				46.6	125.5	124.8	67.4	0	0	0	0	121.9
818	G	27.8	Very low	30.2	Very low	82 Å²	82	121.8 Å²	121.8	85%	0.845	78%	0.777	S	S	*	*			trans	177.3	127.2	156.8	0	0	0	0	0	113.5
819	A	29.4	Very low	30.3	Very low	115 Å²	115	129 Å²	129	95%	0.95	79%	0.792	S	S	*	*			trans	-87.8	162.3	178.7	0	0	0	0	0	112.8
820	G	27.1	Very low	31.1	Very low	81 Å²	81	125.4 Å²	125.4	84%	0.835	79%	0.785	S	S	*	*			trans	166.5	141.1	169.3	0	0	0	0	0	112.6
821	A	28.9	Very low	31.6	Very low	107 Å²	107	127.1 Å²	127.1	88%	0.884	78%	0.784	S	S	*	*			trans	-139.6	146.2	-178	0	0	0	0	0	112.7
822	G	27.6	Very low	31.9	Very low	86 Å²	86	130.7 Å²	130.7	89%	0.887	79%	0.786	S	S	*	*			trans	86.5	146.9	176.9	0	0	0	0	0	114.9
823	G	28.3	Very low	31.8	Very low	72 Å²	72	132.9 Å²	132.9	74%	0.742	79%	0.786	S	S	*	*			cis	166.1	151	-10.8	0	0	0	0	0	114.1
824	S	33.1	Very low	31.8	Very low	124 Å²	124	136.5 Å²	136.5	87%	0.867	79%	0.794	S	S	*	*			trans	63.5	132.5	166.8	-138.8	0	0	0	0	117.4
825	S	33.3	Very low	32.7	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	79%	0.788	S	S	*	*			cis	179.8	163.4	49.2	60.9	0	0	0	0	114.7
826	N	33.3	Very low	32.6	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	80%	0.797	S	S	*	*			trans	86.9	125.4	137.8	-136.8	-12.4	0	0	0	124.6
827	S	33	Very low	32.7	Very low	80 Å²	80	134.3 Å²	134.3	56%	0.559	80%	0.799	S	S	*	*			trans	89.2	113	137.7	-88.7	0	0	0	0	125.5
828	K	30.8	Very low	33.1	Very low	202 Å²	202	134.6 Å²	134.6	88%	0.878	80%	0.798	S	S	*	*			trans	93.7	144	130.3	-68	171.5	-175.1	176.1	0	122.1
829	R	38.1	Very low	33.1	Very low	234 Å²	234	141.7 Å²	141.7	88%	0.883	80%	0.799	S	S	*	*			trans	-93.5	178.5	175.5	-106.1	-175.8	174.2	176.7	0.4	110.5
830	P	48.4	Very low	32.9	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	79%	0.794	S	S	*	*			cis	-124.9	-173.9	8.3	44	-29.6	0	0	0	113.7
831	T	38.2	Very low	32.8	Very low	96 Å²	96	145.8 Å²	145.8	59%	0.589	78%	0.784	S	S	*	*			cis	-132.7	-113.1	6.4	-23.4	0	0	0	0	110.7
832	K	34.8	Very low	32.6	Very low	183 Å²	183	146 Å²	146	80%	0.796	78%	0.779	S	S	*	*			cis	-158.8	151.1	-36.6	-118.1	142.8	-155.2	138.1	0	104.4
833	R	30	Very low	32.6	Very low	233 Å²	233	146.8 Å²	146.8	88%	0.879	77%	0.771	S	S	*	*			cis	-141.1	-136.8	-8.8	-161.2	-172.2	-176.9	-179.6	1.4	107.8
834	L	28.2	Very low	32.7	Very low	155 Å²	155	150.5 Å²	150.5	81%	0.812	77%	0.772	S	S	*	*			trans	-154.5	176.2	-178.9	-68.9	177.5	0	0	0	108.1
835	P	46.7	Very low	32.6	Very low	103 Å²	103	152.2 Å²	152.2	67%	0.669	77%	0.766	S	S	*	*			cis	-149.6	166.1	14.1	43	-22.1	0	0	0	121.2
836	K	28.5	Very low	32.3	Very low	209 Å²	209	152.5 Å²	152.5	91%	0.909	77%	0.768	S	S	*	*			trans	78.5	143.4	136.9	-79.1	168.1	-176.6	-179.7	0	125.3
837	K	32.2	Very low	32.3	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.857	77%	0.772	S	S	*	*			trans	-70.3	177.2	164.2	-62.2	-177	177.3	-177.1	0	111.3
838	P	38.3	Very low	32.1	Very low	110 Å²	110	156 Å²	156	71%	0.714	78%	0.78	S	S	*	*			cis	-160.5	175.4	31.5	46.3	-23.7	0	0	0	123
839	R	27.2	Very low	32	Very low	232 Å²	232	157.7 Å²	157.7	88%	0.875	78%	0.782	S	S	*	*			trans	69.3	146	140.8	-96	-179.6	169.5	177.7	-3.7	122.3
840	K	25.9	Very low	31.6	Very low	193 Å²	193	153.9 Å²	153.9	84%	0.839	78%	0.78	S	S	*	*			trans	69.2	154.7	163.1	-70	-176.1	177	-172	0	116
841	S	24.9	Very low	30.9	Very low	88 Å²	88	155.2 Å²	155.2	62%	0.615	78%	0.781	S	S	*	*			cis	-172.9	170.2	-23.9	54.1	0	0	0	0	109
842	S	24.7	Very low	30.7	Very low	111 Å²	111	158.6 Å²	158.6	78%	0.776	80%	0.795	S	S	*	*			trans	64.7	154.7	159.9	32	0	0	0	0	117
843	S	27	Very low	31	Very low	103 Å²	103	158.5 Å²	158.5	72%	0.72	80%	0.797	S	S	*	*			cis	-167.8	170.1	-16	-175	0	0	0	0	109
844	I	30.3	Very low	31.1	Very low	150 Å²	150	156.2 Å²	156.2	77%	0.769	80%	0.797	S	S	*	*			trans	81	132.7	160.6	-133.7	70.4	0	0	0	117.8
845	E	30.4	Very low	31.5	Very low	160 Å²	160	155 Å²	155	75%	0.748	79%	0.791	S	S	*	*			trans	-75.8	155.9	167.3	-60.3	110.3	122.3	0	0	112.3
846	S	28	Very low	31.3	Very low	107 Å²	107	157.3 Å²	157.3	75%	0.748	79%	0.793	S	S	*	*			trans	-131.3	118.7	153.3	176.5	0	0	0	0	105.9
847	L	31.8	Very low	31.5	Very low	164 Å²	164	153.9 Å²	153.9	86%	0.859	78%	0.782	S	S	*	*			trans	-104.8	88.8	176.7	-80.9	171.7	0	0	0	108.3
848	D	29.1	Very low	31.3	Very low	134 Å²	134	151.1 Å²	151.1	72%	0.717	78%	0.776	S	S	*	*			trans	-130.8	124.5	158.1	-78.6	-56.5	0	0	0	106.5
849	Y	29.3	Very low	31.3	Very low	238 Å²	238	149.6 Å²	149.6	93%	0.933	77%	0.773	S	S	*	*			trans	-169.4	110.7	143.1	-102.4	-65.9	0	0	0	107.9
850	D	30.5	Very low	31.5	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	77%	0.766	S	S	*	*			trans	-88.1	178	157.9	-140.1	-38.8	0	0	0	108.4
851	D	34.1	Very low	31.9	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	76%	0.761	S	S	*	*			trans	79.8	127.4	166.8	-140.9	42.7	0	0	0	119.3
852	D	33.6	Very low	32.4	Very low	167 Å²	167	146 Å²	146	89%	0.893	77%	0.765	S	S	*	*			trans	-113.8	99.6	177	-88.5	-58.2	0	0	0	109.6
853	E	41	Very low	32.7	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	76%	0.762	S	S	*	*			trans	-131.8	102	162.3	-85.7	-148.8	117.8	0	0	111.8
854	Q	31.3	Very low	33	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	76%	0.759	S	S	*	*			trans	-156.7	126.6	159.1	-171	65.6	79.1	0	0	111.6
855	D	37.8	Very low	33.1	Very low	129 Å²	129	146 Å²	146	69%	0.69	76%	0.757	S	S	*	*			trans	-135.3	164	163	-154.4	-20.6	0	0	0	110.4
856	H	40.8	Very low	33.3	Very low	151 Å²	151	148 Å²	148	70%	0.699	76%	0.759	S	S	*	*			trans	75.7	96.8	161.3	-89.9	39.5	0	0	0	122.6
857	M	32.4	Very low	33.4	Very low	138 Å²	138	149 Å²	149	68%	0.68	76%	0.761	S	S	*	*				94	96	116.4	-68.1	-62.9	-81	0	0	122.6
858	D	30	Very low	33.4	Very low	138 Å²	138	150.4 Å²	150.4	74%	0.738	76%	0.756	S	S	*	*				101.3	162.5	102.9	-153	20.4	0	0	0	121.5
859	A	36.7	Very low	33.7	Very low	79 Å²	79	150 Å²	150	65%	0.653	76%	0.761	S	S	*	*			trans	88.3	78.4	163	0	0	0	0	0	121.1
860	C	32.8	Very low	33.8	Very low	106 Å²	106	142.3 Å²	142.3	72%	0.716	74%	0.742	S	S	*	*				74.4	118.7	117.7	-73.4	0	0	0	0	125.1
861	F	33.8	Very low	33.9	Very low	171 Å²	171	141.8 Å²	141.8	75%	0.75	74%	0.738	S	S	*	*				81.1	131.4	127.8	-84.5	-57.9	0	0	0	124
862	K	34.5	Very low	33.5	Very low	161 Å²	161	143.2 Å²	143.2	70%	0.7	74%	0.74	S	S	*	*			trans	72.5	144.4	139.8	-82.1	159.8	174.6	178.7	0	119.7
863	D	31.3	Very low	33.4	Very low	133 Å²	133	140 Å²	140	71%	0.711	73%	0.731	S	S	*	*			cis	-170.2	178.8	-24.2	-117.3	-4	0	0	0	108.3
864	S	32.5	Very low	32.9	Very low	92 Å²	92	139 Å²	139	64%	0.643	73%	0.727	S	S	*	*			trans	69.3	120.2	147.9	51.1	0	0	0	0	121.7
865	D	33.6	Very low	32.9	Very low	138 Å²	138	139.4 Å²	139.4	74%	0.738	73%	0.728	S	S	*	*				82.4	143.1	129	-57.2	0.1	0	0	0	121.9
866	Y	34.5	Very low	32.4	Very low	201 Å²	201	140.8 Å²	140.8	79%	0.788	74%	0.736	S	S	*	*			cis	-152.9	168.1	-16.6	-130.8	-125.9	0	0	0	105.9
867	V	31	Very low	32	Very low	129 Å²	129	139.7 Å²	139.7	78%	0.782	74%	0.735	S	S	*	*				177.5	138.1	85.9	159.8	0	0	0	0	108.5
868	Y	30.6	Very low	32.6	Very low	193 Å²	193	138.6 Å²	138.6	76%	0.757	74%	0.738	S	S	*	*			trans	-89.3	155.5	167.9	-125.1	-119.7	0	0	0	109.7	S870	Y868-S870 WeakPolarHBondContact CE1-OG 3.27Å
869	P	35.8	Very low	32.5	Very low	126 Å²	126	136.6 Å²	136.6	82%	0.818	73%	0.731	S	S	*	*				-150.8	161	77.8	38.7	-19.3	0	0	0	119.2
870	S	30.4	Very low	32.1	Very low	77 Å²	77	141.3 Å²	141.3	54%	0.538	74%	0.737	S	S	.	*			trans	-53.8	165	163.1	-34.5	0	0	0	0	116.7	Y868	Y868-S870 WeakPolarHBondContact CE1-OG 3.27Å
871	L	33.5	Very low	31.9	Very low	144 Å²	144	144.3 Å²	144.3	75%	0.754	74%	0.738	S	S	*	*				-158.8	131	122.8	-80.6	-173.7	0	0	0	105.8
872	E	26.4	Very low	31.9	Very low	168 Å²	168	140.8 Å²	140.8	79%	0.785	73%	0.734	S	S	*	*				69.7	135.1	70.5	-65.3	176.6	-162.6	0	0	113.4
873	S	30	Very low	31.6	Very low	101 Å²	101	144.4 Å²	144.4	71%	0.706	74%	0.743	S	S	*	*			cis	-112.4	-121.7	6.7	53.1	0	0	0	0	114.6
874	E	30.6	Very low	31.7	Very low	159 Å²	159	142.1 Å²	142.1	74%	0.743	74%	0.738	S	S	*	*			cis	-138.3	177.2	9.2	-88.5	81.1	-103.5	0	0	112
875	E	31.3	Very low	31.7	Very low	194 Å²	194	146.9 Å²	146.9	91%	0.907	75%	0.747	S	S	*	*			trans	-119.6	167.8	179.9	-56.3	-179.2	112.3	0	0	110.7
876	D	28.7	Very low	31.6	Very low	157 Å²	157	148.9 Å²	148.9	84%	0.84	75%	0.749	S	S	*	*				-170.7	-177.4	53.3	-168.9	7.6	0	0	0	111.9
877	N	31	Very low	31.7	Very low	129 Å²	129	150.8 Å²	150.8	69%	0.69	76%	0.755	S	S	*	*			trans	-107.5	171.7	-176	-115.8	-68.9	0	0	0	111.9
878	P	45.7	Very low	32	Very low	114 Å²	114	152.6 Å²	152.6	74%	0.74	75%	0.752	S	S	*	*				-159.5	158.2	57.2	42.4	-18.9	0	0	0	121.5
879	V	28.1	Very low	32	Very low	97 Å²	97	147.5 Å²	147.5	59%	0.588	75%	0.745	S	S	*	*			trans	24.2	129.1	132.2	-176.6	0	0	0	0	120.9
880	F	28.8	Very low	31.8	Very low	177 Å²	177	145.8 Å²	145.8	78%	0.776	74%	0.736	S	S	*	*				-172.3	120.8	118.6	-103.8	-74.9	0	0	0	116.3
881	K	27.7	Very low	31.8	Very low	170 Å²	170	148.7 Å²	148.7	74%	0.739	75%	0.745	S	S	*	*			trans	11.1	149.1	141.1	-60.8	171.5	-166.8	164.8	0	119.9
882	S	33	Very low	31.6	Very low	96 Å²	96	148.6 Å²	148.6	67%	0.671	75%	0.746	S	S	*	*			cis	179.6	179.6	-1	56.4	0	0	0	0	113.7
883	R	28.2	Very low	32	Very low	237 Å²	237	146.2 Å²	146.2	89%	0.894	74%	0.743	S	S	*	*			trans	74.2	151.7	153.2	-77.3	-176.5	170.7	179.7	-1	118.3
884	S	34	Very low	32.6	Very low	85 Å²	85	146.8 Å²	146.8	59%	0.594	74%	0.744	S	S	*	*			cis	-167.9	158	-13.2	56.1	0	0	0	0	115.8
885	K	32.3	Very low	32.4	Very low	192 Å²	192	149.7 Å²	149.7	84%	0.835	75%	0.75	S	S	*	*			trans	68.6	132.4	155.5	-67.9	159.7	-178.9	176.9	0	117.9
886	K	32	Very low	32.3	Very low	181 Å²	181	144.6 Å²	144.6	79%	0.787	74%	0.736	S	S	*	*			cis	93.7	111	15.5	-169.1	-179.6	-178.1	170.2	0	116.8
887	R	36.8	Very low	33.2	Very low	241 Å²	241	141.5 Å²	141.5	91%	0.909	72%	0.724	S	S	*	*				-163.8	132.8	126.8	-97.2	169.1	-179.5	-151.5	-2.8	107.7
888	K	37.5	Very low	33.1	Very low	167 Å²	167	142 Å²	142	73%	0.726	73%	0.732	S	S	*	*			cis	87.4	134	36	-171.4	-179.1	178.2	-178.9	0	111.1
889	S	31.3	Very low	32.5	Very low	85 Å²	85	141 Å²	141	59%	0.594	73%	0.733	S	S	*	*			cis	-148.2	-167.5	4.6	35.7	0	0	0	0	109.8
890	S	30.6	Very low	32.8	Very low	90 Å²	90	148.3 Å²	148.3	63%	0.629	75%	0.75	S	S	*	*			cis	-161.5	136.8	17.8	19.6	0	0	0	0	113.6
891	D	31.3	Very low	32.9	Very low	139 Å²	139	147 Å²	147	74%	0.743	76%	0.757	S	S	*	*				59.9	147.1	124.5	-36.7	-25.1	0	0	0	119.6
892	D	29.2	Very low	33.3	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	75%	0.746	S	S	*	*			cis	-147.7	-172.7	3.2	-144.9	-35.8	0	0	0	112.9
893	T	34.9	Very low	33.3	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	76%	0.756	S	S	*	*			trans	-106.3	-168.5	-172	60.7	0	0	0	0	111.2
894	P	42.2	Very low	33.5	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	75%	0.753	S	S	*	*			cis	-135.2	179.9	-5.6	43.4	-26.7	0	0	0	115.6
895	Y	26.8	Very low	33.8	Very low	219 Å²	219	139.6 Å²	139.6	86%	0.859	76%	0.762	S	S	*	*				167.9	160.4	123.6	-163.8	-110.1	0	0	0	113
896	S	27.8	Very low	34	Very low	88 Å²	88	136.2 Å²	136.2	62%	0.615	76%	0.759	S	S	*	*			trans	-171.8	161.4	-179.3	-171.3	0	0	0	0	108
897	P	48.3	Very low	34	Very low	92 Å²	92	139.2 Å²	139.2	60%	0.597	77%	0.766	S	S	*	*			cis	-129.9	-170.9	2.4	38.7	-20.2	0	0	0	114
898	T	28.4	Very low	33.9	Very low	139 Å²	139	137 Å²	137	85%	0.853	77%	0.765	S	S	*	*				165.2	176.5	123.9	40.1	0	0	0	0	113.2
899	A	32.6	Very low	33.7	Very low	93 Å²	93	138 Å²	138	77%	0.769	77%	0.773	S	S	*	*			trans	76	65.9	165.7	0	0	0	0	0	119.6
900	R	34.9	Very low	34.2	Very low	250 Å²	250	144.8 Å²	144.8	94%	0.943	79%	0.785	S	S	*	*			trans	11.6	122.6	139.3	-59.3	176.2	-178.8	173	-0.3	118.4
901	V	31.8	Very low	34.6	Very low	151 Å²	151	146.8 Å²	146.8	92%	0.915	80%	0.796	S	S	*	*			trans	-87.7	134.7	153.5	-171.9	0	0	0	0	108.7
902	G	35.2	Very low	34.9	Very low	50 Å²	50	145 Å²	145	52%	0.515	80%	0.8	S	S	.	*			trans	-122.9	149.3	172.7	0	0	0	0	0	111.3	S904	G902-S904 PolarHBondContact O-N 2.69Å
903	P	34.4	Very low	35.5	Very low	135 Å²	135	149.7 Å²	149.7	88%	0.877	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.7	133	-177.6	28.2	-34.3	0	0	0	111.2
904	S	32	Very low	35.6	Very low	120 Å²	120	153.5 Å²	153.5	84%	0.839	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.5	116.5	-180	-63.8	0	0	0	0	110.7	G902	G902-S904 PolarHBondContact O-N 2.69Å
905	V	40.2	Very low	36.2	Very low	127 Å²	127	151.5 Å²	151.5	77%	0.77	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.2	141.9	174	-179.9	0	0	0	0	109.8	R907	V905-R907 PolarHBondContact O-N 3.28Å
906	P	36.3	Very low	37.1	Very low	121 Å²	121	145.4 Å²	145.4	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56.3	130.4	176.1	-25.8	35.1	0	0	0	112.4
907	R	31.1	Very low	38.1	Very low	244 Å²	244	151.7 Å²	151.7	92%	0.921	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-91.8	132.9	168.9	-81.1	-176.9	167.5	168	-2.6	109.6	V905	V905-R907 PolarHBondContact O-N 3.28Å
908	H	35.8	Very low	38.4	Very low	193 Å²	193	151.9 Å²	151.9	89%	0.894	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59	142.7	165.1	-89.3	39.5	0	0	0	110.9
909	E	33.4	Very low	39.4	Very low	190 Å²	190	148.3 Å²	148.3	89%	0.888	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.2	154.6	173.2	-165.2	156.6	-137.2	0	0	110.7
910	R	40.2	Very low	40.3	Very low	226 Å²	226	148.8 Å²	148.8	85%	0.853	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-98.3	141.8	175.7	-75.5	180	172.8	165.8	-4.1	109.5	A912	R910-A912 PolarHBondContact O-N 3.35Å
911	P	40.8	Very low	41.3	Very low	133 Å²	133	142.3 Å²	142.3	86%	0.864	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-52.7	133.7	175.3	-27.2	35.1	0	0	0	112.3
912	A	37.1	Very low	42.5	Very low	101 Å²	101	140.8 Å²	140.8	84%	0.835	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.3	145.4	175.6	0	0	0	0	0	110.8	R910	R910-A912 PolarHBondContact O-N 3.35Å
913	R	42	Very low	43.9	Very low	241 Å²	241	143.1 Å²	143.1	91%	0.909	77%	0.774	S	S	*	*			trans	-93	114.7	176.3	-162.9	175.4	-168.5	160.3	3.6	109.5
914	E	37	Very low	45.6	Very low	197 Å²	197	138.8 Å²	138.8	92%	0.921	75%	0.754	S	S	*	*	S	Bend	trans	-72.4	155	-172	-162	152.5	-140.6	0	0	113.3
915	G	54.1	Low	47.2	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	74%	0.743	S	S	*	*	S	Bend	trans	105.7	-3	172.9	0	0	0	0	0	118
916	A	45.6	Very low	48.4	Very low	92 Å²	92	135.6 Å²	135.6	76%	0.76	73%	0.731	S	S	*	*			trans	-95.1	12.9	-165.5	0	0	0	0	0	117.9
917	R	49.5	Very low	49.8	Very low	219 Å²	219	131.9 Å²	131.9	83%	0.826	71%	0.711	S	S	*	*	S	Bend	trans	-139.8	14.4	-168.7	-77.6	-164.5	176.1	-170.2	1.8	119.1
918	V	54.3	Low	51.2	Low	96 Å²	96	122.6 Å²	122.6	58%	0.582	69%	0.686	S	S	*	*	S	Bend	trans	-75.9	-59.7	-175.5	-174.8	0	0	0	0	113.4	S920 I921	V918-S920 VanDerWaalsContact C-N 3.3Å; V918-S920 PolarHBondContact O-N 2.91Å; V918-I921 PolarHBondContact O-N 3.18Å
919	A	49.1	Very low	52.7	Low	65 Å²	65	116.3 Å²	116.3	54%	0.537	67%	0.668	S	S	.	*	H	α-helix	trans	-57.8	-30.5	-164.9	0	0	0	0	0	116.4	I921 T923	A919-I921 VanDerWaalsContact C-N 3.34Å; A919-I921 PolarHBondContact O-N 3.33Å; A919-T923 WeakPolarHBondContact O-CB 3.46Å; A919-T923 PolarHBondContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.37Å
920	S	51	Low	54.5	Low	103 Å²	103	109.5 Å²	109.5	72%	0.72	64%	0.644	S	S	*	*	H	α-helix	trans	-70.2	-28.1	-175.6	-54.2	0	0	0	0	113.6	V918	V918-S920 VanDerWaalsContact C-N 3.3Å; V918-S920 PolarHBondContact O-N 2.91Å
921	I	55.7	Low	56.2	Low	113 Å²	113	105.9 Å²	105.9	58%	0.579	64%	0.635	S	S	*	*	H	α-helix	trans	-86.1	-43.8	-174.1	-63.3	175.8	0	0	0	110.3	V918 A919 T923 G924 L925	V918-I921 PolarHBondContact O-N 3.18Å; A919-I921 VanDerWaalsContact C-N 3.34Å; A919-I921 PolarHBondContact O-N 3.33Å; I921-T923 VanDerWaalsContact C-N 3.33Å; I921-T923 PolarHBondContact O-N 2.74Å; I921-G924 WeakPolarHBondContact O-CA 3.39Å; I921-G924 PolarHBondContact O-N 2.93Å; I921-G924 VanDerWaalsContact O-N 3.07Å; I921-L925 HydrophobicContact CG2-CD1 4.11Å; I921-L925 PolarHBondContact O-N 3.17Å
922	E	57.3	Low	57.5	Low	120 Å²	120	105 Å²	105	56%	0.561	62%	0.622	S	S	*	*	H	α-helix	trans	-58.8	-44.7	175.8	-60.8	175.3	138.3	0	0	111.3	G924 L925 A926	E922-G924 VanDerWaalsContact C-N 3.26Å; E922-G924 PolarHBondContact O-N 3.38Å; E922-L925 PolarHBondContact O-N 2.8Å; E922-A926 WeakPolarHBondContact O-CB 2.82Å; E922-A926 PolarHBondContact O-N 2.93Å
923	T	65.6	Low	58.7	Low	98 Å²	98	103.3 Å²	103.3	60%	0.601	60%	0.604	S	S	*	*	H	α-helix	trans	-58.7	-37.8	174.9	-54.6	0	0	0	0	111.8	A919 I921 A927	A919-T923 WeakPolarHBondContact O-CB 3.46Å; A919-T923 PolarHBondContact O-N 3.15Å; A919-T923 PolarHBondContact O-OG1 3.37Å; I921-T923 VanDerWaalsContact C-N 3.33Å; I921-T923 PolarHBondContact O-N 2.74Å; T923-A927 VanDerWaalsContact O-CB 3.28Å; T923-A927 WeakPolarHBondContact O-CB 3.36Å; T923-A927 PolarHBondContact O-N 2.89Å; T923-A927 VanDerWaalsContact O-N 3.15Å
924	G	69.8	Low	60	Low	44 Å²	44	97 Å²	97	45%	0.454	59%	0.585	S	S	.	*	H	α-helix	trans	-68.8	-43.1	176.2	0	0	0	0	0	113.4	I921 E922 A927 A928	I921-G924 WeakPolarHBondContact O-CA 3.39Å; I921-G924 PolarHBondContact O-N 2.93Å; I921-G924 VanDerWaalsContact O-N 3.07Å; E922-G924 VanDerWaalsContact C-N 3.26Å; E922-G924 PolarHBondContact O-N 3.38Å; G924-A927 PolarHBondContact O-N 2.89Å; G924-A928 PolarHBondContact O-N 3.48Å
925	L	65.5	Low	61.5	Low	116 Å²	116	93.1 Å²	93.1	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-66.7	-45.1	177.7	-82.5	160.6	0	0	0	112.2	I921 E922 A927 A928 A929	I921-L925 HydrophobicContact CG2-CD1 4.11Å; I921-L925 PolarHBondContact O-N 3.17Å; E922-L925 PolarHBondContact O-N 2.8Å; L925-A927 VanDerWaalsContact C-N 3.32Å; L925-A927 PolarHBondContact O-N 3.3Å; L925-A928 WeakPolarHBondContact O-CB 3.05Å; L925-A928 PolarHBondContact O-N 3.38Å; L925-A928 VanDerWaalsContact O-N 3.08Å; L925-A929 PolarHBondContact O-N 3.24Å
926	A	64.3	Low	61.9	Low	64 Å²	64	94.3 Å²	94.3	53%	0.529	55%	0.553	S	S	.	*	H	α-helix	trans	-59.2	-43.4	174.5	0	0	0	0	0	111.7	E922 A928 A929 A930	E922-A926 WeakPolarHBondContact O-CB 2.82Å; E922-A926 PolarHBondContact O-N 2.93Å; A926-A928 VanDerWaalsContact C-N 3.25Å; A926-A928 PolarHBondContact O-N 2.88Å; A926-A929 PolarHBondContact O-N 3.47Å; A926-A930 PolarHBondContact O-N 2.87Å
927	A	67.3	Low	62.6	Low	44 Å²	44	95.5 Å²	95.5	36%	0.364	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-19.3	176.3	0	0	0	0	0	114	T923 G924 L925 K931	T923-A927 VanDerWaalsContact O-CB 3.28Å; T923-A927 WeakPolarHBondContact O-CB 3.36Å; T923-A927 PolarHBondContact O-N 2.89Å; T923-A927 VanDerWaalsContact O-N 3.15Å; G924-A927 PolarHBondContact O-N 2.89Å; L925-A927 VanDerWaalsContact C-N 3.32Å; L925-A927 PolarHBondContact O-N 3.3Å; A927-K931 VanDerWaalsContact O-CD 3.23Å; A927-K931 WeakPolarHBondContact O-CD 3.5Å; A927-K931 WeakPolarHBondContact O-CE 3.39Å; A927-K931 VanDerWaalsContact O-CG 3.3Å; A927-K931 WeakPolarHBondContact O-CG 3.36Å
928	A	60.8	Low	63.2	Low	48 Å²	48	90.2 Å²	90.2	40%	0.397	53%	0.528	S	S	.	.	H	α-helix	trans	-82	-45.8	171.5	0	0	0	0	0	111.5	G924 L925 A926 A930 K931 L932	G924-A928 PolarHBondContact O-N 3.48Å; L925-A928 WeakPolarHBondContact O-CB 3.05Å; L925-A928 PolarHBondContact O-N 3.38Å; L925-A928 VanDerWaalsContact O-N 3.08Å; A926-A928 VanDerWaalsContact C-N 3.25Å; A926-A928 PolarHBondContact O-N 2.88Å; A928-A930 PolarHBondContact O-N 3.3Å; A928-K931 PolarHBondContact O-N 3.19Å; A928-K931 VanDerWaalsContact O-N 3.13Å; A928-L932 PolarHBondContact O-N 3.38Å
929	A	67	Low	63.7	Low	62 Å²	62	90.9 Å²	90.9	51%	0.512	52%	0.524	S	S	.	.	H	α-helix	trans	-58.7	-45	177.6	0	0	0	0	0	112.3	L925 A926 K931 L932 S933	L925-A929 PolarHBondContact O-N 3.24Å; A926-A929 PolarHBondContact O-N 3.47Å; A929-K931 VanDerWaalsContact C-N 3.26Å; A929-K931 PolarHBondContact O-N 2.79Å; A929-L932 PolarHBondContact O-N 2.8Å; A929-S933 PolarHBondContact O-N 3.06Å
930	A	70.8	Confident	64.1	Low	47 Å²	47	95.7 Å²	95.7	39%	0.388	53%	0.529	S	S	.	.	H	α-helix	trans	-60.9	-31.8	176.4	0	0	0	0	0	113.5	A926 A928 S933 H934	A926-A930 PolarHBondContact O-N 2.87Å; A928-A930 PolarHBondContact O-N 3.3Å; A930-S933 PolarHBondContact O-OG 3.41Å; A930-S933 VanDerWaalsContact O-OG 3.06Å; A930-H934 PolarHBondContact O-CD2 3.11Å; A930-H934 PolarHBondContact O-N 3.04Å
931	K	75.1	Confident	64	Low	149 Å²	149	94.8 Å²	94.8	65%	0.648	52%	0.519	S	S	*	.	H	α-helix	trans	-73.3	-34.5	177.1	-72.4	169.1	-172.3	164.6	0	112.1	A927 A928 A929 Q935	A927-K931 VanDerWaalsContact O-CD 3.23Å; A927-K931 WeakPolarHBondContact O-CD 3.5Å; A927-K931 WeakPolarHBondContact O-CE 3.39Å; A927-K931 VanDerWaalsContact O-CG 3.3Å; A927-K931 WeakPolarHBondContact O-CG 3.36Å; A928-K931 PolarHBondContact O-N 3.19Å; A928-K931 VanDerWaalsContact O-N 3.13Å; A929-K931 VanDerWaalsContact C-N 3.26Å; A929-K931 PolarHBondContact O-N 2.79Å; K931-Q935 WeakPolarHBondContact O-CB 3.21Å; K931-Q935 PolarHBondContact O-N 3.38Å; K931-Q935 VanDerWaalsContact O-N 3.08Å
932	L	68.1	Low	63.8	Low	114 Å²	114	95.9 Å²	95.9	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-68.6	-43.9	176.6	-75.7	166.8	0	0	0	111.9	A928 A929 H934 Q935 E936	A928-L932 PolarHBondContact O-N 3.38Å; A929-L932 PolarHBondContact O-N 2.8Å; L932-H934 PolarHBondContact O-N 2.84Å; L932-Q935 WeakPolarHBondContact O-CB 3.48Å; L932-Q935 PolarHBondContact O-N 3.48Å; L932-Q935 VanDerWaalsContact O-N 3.12Å; L932-E936 PolarHBondContact O-N 2.85Å
933	S	62.8	Low	63.3	Low	66 Å²	66	98 Å²	98	46%	0.462	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-46.8	178.6	64.4	0	0	0	0	112.2	A929 A930 Q935 E936 E937	A929-S933 PolarHBondContact O-N 3.06Å; A930-S933 PolarHBondContact O-OG 3.41Å; A930-S933 VanDerWaalsContact O-OG 3.06Å; S933-Q935 VanDerWaalsContact C-N 3.29Å; S933-Q935 PolarHBondContact O-N 3.46Å; S933-E936 PolarHBondContact O-N 3.47Å; S933-E937 WeakPolarHBondContact O-CB 3.32Å; S933-E937 PolarHBondContact O-N 2.88Å
934	H	69.6	Low	62.3	Low	110 Å²	110	101.9 Å²	101.9	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-64	-31.4	174.3	-70.9	-44	0	0	0	113.2	A930 L932 E937 Q938	A930-H934 PolarHBondContact O-CD2 3.11Å; A930-H934 PolarHBondContact O-N 3.04Å; L932-H934 PolarHBondContact O-N 2.84Å; H934-E937 IonicContact ND1-OE2 2.81Å; H934-Q938 WeakPolarHBondContact O-CB 3.15Å; H934-Q938 VanDerWaalsContact O-CG 3.29Å; H934-Q938 WeakPolarHBondContact O-CG 3.41Å; H934-Q938 PolarHBondContact O-N 2.93Å
935	Q	69.4	Low	60.8	Low	114 Å²	114	109 Å²	109	53%	0.533	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-38.3	174.5	-168.5	177.8	26	0	0	111.5	K931 L932 S933 Q939	K931-Q935 WeakPolarHBondContact O-CB 3.21Å; K931-Q935 PolarHBondContact O-N 3.38Å; K931-Q935 VanDerWaalsContact O-N 3.08Å; L932-Q935 WeakPolarHBondContact O-CB 3.48Å; L932-Q935 PolarHBondContact O-N 3.48Å; L932-Q935 VanDerWaalsContact O-N 3.12Å; S933-Q935 VanDerWaalsContact C-N 3.29Å; S933-Q935 PolarHBondContact O-N 3.46Å; Q935-Q939 WeakPolarHBondContact O-CG 3.39Å; Q935-Q939 PolarHBondContact O-N 2.85Å
936	E	60.6	Low	59.5	Low	97 Å²	97	112.8 Å²	112.8	45%	0.453	57%	0.566	S	S	.	*	H	α-helix	trans	-70.6	-43.1	176.3	-149.9	-151.9	136.4	0	0	111.9	L932 S933 Q938 Q939 R940	L932-E936 PolarHBondContact O-N 2.85Å; S933-E936 PolarHBondContact O-N 3.47Å; E936-Q938 VanDerWaalsContact C-N 3.33Å; E936-Q938 PolarHBondContact O-N 3.3Å; E936-Q939 CarbonylContact O-C 3.55Å; E936-Q939 WeakPolarHBondContact O-CA 3.3Å; E936-Q939 WeakPolarHBondContact O-CB 3.18Å; E936-Q939 PolarHBondContact O-N 3.26Å; E936-R940 PolarHBondContact O-N 2.81Å; E936-R940 IonicContact OE1-CZ 3.61Å; E936-R940 IonicContact OE1-NE 2.63Å; E936-R940 PolarHBondContact OE1-NE 3.26Å; E936-R940 IonicContact OE1-NH2 2.8Å; E936-R940 PolarHBondContact OE1-NH2 3.26Å; E936-R940 IonicContact OE2-NH2 3.18Å
937	E	61.6	Low	58.2	Low	117 Å²	117	114.7 Å²	114.7	55%	0.547	58%	0.575	S	S	.	*	H	α-helix	trans	-62.1	-39.3	176.9	-172.1	172.5	-139.6	0	0	112.1	S933 H934 Q939 R940 T941	S933-E937 WeakPolarHBondContact O-CB 3.32Å; S933-E937 PolarHBondContact O-N 2.88Å; H934-E937 IonicContact ND1-OE2 2.81Å; E937-Q939 VanDerWaalsContact C-N 3.26Å; E937-Q939 PolarHBondContact O-N 2.97Å; E937-R940 PolarHBondContact O-N 3.34Å; E937-T941 WeakPolarHBondContact O-CG2 3.29Å; E937-T941 PolarHBondContact O-N 3.28Å; E937-T941 PolarHBondContact O-OG1 3.44Å
938	Q	62.4	Low	56.6	Low	107 Å²	107	115.9 Å²	115.9	50%	0.5	59%	0.591	S	S	.	*	H	α-helix	trans	-64.5	-25.9	170.2	-77.3	-171.6	38.3	0	0	113.5	H934 E936 T941 K942	H934-Q938 WeakPolarHBondContact O-CB 3.15Å; H934-Q938 VanDerWaalsContact O-CG 3.29Å; H934-Q938 WeakPolarHBondContact O-CG 3.41Å; H934-Q938 PolarHBondContact O-N 2.93Å; E936-Q938 VanDerWaalsContact C-N 3.33Å; E936-Q938 PolarHBondContact O-N 3.3Å; Q938-T941 WeakPolarHBondContact CA-OG1 3.49Å; Q938-T941 PolarHBondContact O-OG1 2.86Å; Q938-K942 WeakPolarHBondContact O-CB 3.02Å; Q938-K942 WeakPolarHBondContact O-CD 3.42Å; Q938-K942 WeakPolarHBondContact O-CG 3.15Å; Q938-K942 PolarHBondContact O-N 3.36Å
939	Q	63.3	Low	55.1	Low	110 Å²	110	123.5 Å²	123.5	51%	0.514	62%	0.615	S	S	.	*	H	α-helix	trans	-80.7	-40.8	172.8	-72.1	-174.6	59.7	0	0	112.1	Q935 E936 E937 T941 K942 K943	Q935-Q939 WeakPolarHBondContact O-CG 3.39Å; Q935-Q939 PolarHBondContact O-N 2.85Å; E936-Q939 CarbonylContact O-C 3.55Å; E936-Q939 WeakPolarHBondContact O-CA 3.3Å; E936-Q939 WeakPolarHBondContact O-CB 3.18Å; E936-Q939 PolarHBondContact O-N 3.26Å; E937-Q939 VanDerWaalsContact C-N 3.26Å; E937-Q939 PolarHBondContact O-N 2.97Å; Q939-T941 PolarHBondContact O-N 3.21Å; Q939-K942 PolarHBondContact O-N 2.88Å; Q939-K943 PolarHBondContact O-N 3.5Å
940	R	57.3	Low	53.4	Low	167 Å²	167	130.9 Å²	130.9	63%	0.63	64%	0.636	S	S	*	*	H	α-helix	trans	-59.3	-46.2	174.6	-69.4	-177	-179.2	-145.9	4.3	111.1	E936 E937 K943 K944	E936-R940 PolarHBondContact O-N 2.81Å; E936-R940 IonicContact OE1-CZ 3.61Å; E936-R940 IonicContact OE1-NE 2.63Å; E936-R940 PolarHBondContact OE1-NE 3.26Å; E936-R940 IonicContact OE1-NH2 2.8Å; E936-R940 PolarHBondContact OE1-NH2 3.26Å; E936-R940 IonicContact OE2-NH2 3.18Å; E937-R940 PolarHBondContact O-N 3.34Å; R940-K943 PolarHBondContact O-N 2.63Å; R940-K944 PolarHBondContact O-N 3.26Å
941	T	50.5	Low	51.4	Low	84 Å²	84	138.8 Å²	138.8	52%	0.515	66%	0.662	S	S	.	*	H	α-helix	trans	-64.7	-40.6	174.9	50.5	0	0	0	0	112.9	E937 Q938 Q939 K944 K945	E937-T941 WeakPolarHBondContact O-CG2 3.29Å; E937-T941 PolarHBondContact O-N 3.28Å; E937-T941 PolarHBondContact O-OG1 3.44Å; Q938-T941 WeakPolarHBondContact CA-OG1 3.49Å; Q938-T941 PolarHBondContact O-OG1 2.86Å; Q939-T941 PolarHBondContact O-N 3.21Å; T941-K944 PolarHBondContact O-N 3.21Å; T941-K945 WeakPolarHBondContact O-CB 3.4Å; T941-K945 PolarHBondContact O-N 3.33Å
942	K	51.1	Low	49.1	Very low	135 Å²	135	137.6 Å²	137.6	59%	0.587	67%	0.672	S	S	*	*	H	α-helix	trans	-64.3	-36.7	174.4	-75.8	166.6	-165.8	159.7	0	112.9	Q938 Q939	Q938-K942 WeakPolarHBondContact O-CB 3.02Å; Q938-K942 WeakPolarHBondContact O-CD 3.42Å; Q938-K942 WeakPolarHBondContact O-CG 3.15Å; Q938-K942 PolarHBondContact O-N 3.36Å; Q939-K942 PolarHBondContact O-N 2.88Å
943	K	47.6	Very low	47.2	Very low	165 Å²	165	136.7 Å²	136.7	72%	0.717	68%	0.681	S	S	*	*	H	α-helix	trans	-64.4	-50.1	171.1	-77.9	-177.6	176.6	177.6	0	111.2	Q939 R940 K945 K946	Q939-K943 PolarHBondContact O-N 3.5Å; R940-K943 PolarHBondContact O-N 2.63Å; K943-K945 PolarHBondContact O-N 2.79Å; K943-K946 PolarHBondContact O-N 3.12Å
944	K	43	Very low	45.7	Very low	179 Å²	179	137.9 Å²	137.9	78%	0.778	70%	0.695	S	S	*	*	H	α-helix	trans	-61.7	-26.6	-179.4	-143.6	172	-172.1	178.7	0	113.1	R940 T941 K946	R940-K944 PolarHBondContact O-N 3.26Å; T941-K944 PolarHBondContact O-N 3.21Å; K944-K946 VanDerWaalsContact C-N 3.35Å
945	K	39.1	Very low	44	Very low	193 Å²	193	138.7 Å²	138.7	84%	0.839	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-2.3	177.2	-149.1	165.9	-170.4	170.6	0	114.7	T941 K943	T941-K945 WeakPolarHBondContact O-CB 3.4Å; T941-K945 PolarHBondContact O-N 3.33Å; K943-K945 PolarHBondContact O-N 2.79Å
946	K	37.5	Very low	42	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	72%	0.72	S	S	*	*	S	Bend	trans	-106.1	-10.7	-177.2	-149.5	178.6	-177.9	-174.5	0	114.8	K943 K944	K943-K946 PolarHBondContact O-N 3.12Å; K944-K946 VanDerWaalsContact C-N 3.35Å
947	S	38.4	Very low	40.5	Very low	103 Å²	103	145 Å²	145	72%	0.72	74%	0.737	S	S	*	*	S	Bend	trans	-97	-15.3	179.6	49.3	0	0	0	0	115	K949	S947-K949 PolarHBondContact O-N 2.76Å
948	G	32.9	Very low	39.4	Very low	69 Å²	69	144.2 Å²	144.2	71%	0.711	74%	0.742	S	S	*	*			trans	-95.7	79.1	-172.9	0	0	0	0	0	115.5
949	K	28.8	Very low	38.7	Very low	208 Å²	208	144 Å²	144	90%	0.904	75%	0.75	S	S	*	*			trans	-160.1	72.2	162.3	-130.5	174	-172.8	179.6	0	117.2	S947	S947-K949 PolarHBondContact O-N 2.76Å
950	K	30.6	Very low	36.8	Very low	217 Å²	217	147.8 Å²	147.8	94%	0.943	77%	0.765	S	S	*	*			trans	-135.8	153.3	146.3	-104.4	-174.5	176.1	-176.9	0	108.5
951	K	30	Very low	35.2	Very low	213 Å²	213	147.8 Å²	147.8	93%	0.926	77%	0.772	S	S	*	*			trans	-94.2	142.5	-172	-70.9	-175.5	175.1	-174.3	0	112.8
952	S	26.5	Very low	34	Very low	124 Å²	124	148.9 Å²	148.9	87%	0.867	78%	0.783	S	S	*	*			trans	-130.5	175.2	135.8	53.5	0	0	0	0	107.5
953	A	28.2	Very low	32.8	Very low	95 Å²	95	151.4 Å²	151.4	79%	0.785	80%	0.796	S	S	*	*			trans	-151.1	157	-173.7	0	0	0	0	0	112.5
954	A	32.1	Very low	31.7	Very low	92 Å²	92	150.4 Å²	150.4	76%	0.76	80%	0.799	S	S	*	*			trans	67.6	126	176.5	0	0	0	0	0	115.4
955	V	32.6	Very low	30.8	Very low	127 Å²	127	148.1 Å²	148.1	77%	0.77	81%	0.806	S	S	*	*				79.2	125	57.6	166.1	0	0	0	0	109.8
956	E	27.9	Very low	30.3	Very low	168 Å²	168	144 Å²	144	79%	0.785	80%	0.801	S	S	*	*			cis	-157.8	165.1	17.4	-138.1	161.8	-162.7	0	0	114.4
957	E	30	Very low	29.9	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	80%	0.796	S	S	*	*			trans	55.2	165.8	149.6	-75.9	-95.1	100.1	0	0	122.5
958	P	36.7	Very low	30.6	Very low	100 Å²	100	140 Å²	140	65%	0.649	80%	0.795	S	S	*	*			trans	-130.9	-146.8	-157.1	36.2	-12.4	0	0	0	113.4
959	P	49.2	Very low	30.3	Very low	104 Å²	104	142.4 Å²	142.4	68%	0.675	79%	0.792	S	S	*	*				-116.4	171.3	-71.2	34.2	-20.9	0	0	0	112.7
960	K	23.3	Very low	30.3	Very low	189 Å²	189	140.6 Å²	140.6	82%	0.822	79%	0.786	S	S	*	*			trans	-178.1	148	138.8	-100.3	150.6	-171.6	171.7	0	115.4
961	H	23.9	Very low	30.3	Very low	167 Å²	167	138.4 Å²	138.4	77%	0.773	79%	0.785	S	S	*	*			trans	45.6	133.6	150.3	-70.3	-62.6	0	0	0	124.7
962	S	24.3	Very low	30.4	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	78%	0.781	S	S	*	*			trans	58	110	138.9	62.1	0	0	0	0	120.7
963	Q	25.3	Very low	30.6	Very low	187 Å²	187	134.4 Å²	134.4	87%	0.874	78%	0.778	S	S	*	*				-88.2	124.7	122.1	-65.7	-174.4	-93.2	0	0	108.1
964	D	26	Very low	30.9	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	77%	0.772	S	S	*	*				179.5	127.5	105.7	-103.3	-7.7	0	0	0	110.5
965	S	24.1	Very low	30.7	Very low	131 Å²	131	139.2 Å²	139.2	92%	0.916	78%	0.779	S	S	*	*			trans	-161.3	122	167.4	-67.6	0	0	0	0	107.4
966	S	28.8	Very low	30.5	Very low	107 Å²	107	141 Å²	141	75%	0.748	79%	0.785	S	S	*	*			trans	-116.9	175.8	-177.8	60.5	0	0	0	0	111.1
967	S	28.9	Very low	30.4	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	78%	0.783	S	S	*	*			trans	77.8	172	163.7	-38.6	0	0	0	0	114.7
968	P	53.2	Low	30.4	Very low	109 Å²	109	133.3 Å²	133.3	71%	0.708	78%	0.78	S	S	*	*				-131.3	-167	-79.6	38.7	-21.5	0	0	0	111.5
969	D	25.3	Very low	30.1	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	79%	0.786	S	S	*	*				172.8	166.6	103.7	-124.3	-55.6	0	0	0	115.9
970	H	30	Very low	29.1	Very low	170 Å²	170	136 Å²	136	79%	0.787	79%	0.786	S	S	*	*			trans	76	133.8	156.3	-59.6	-17.4	0	0	0	122.7
971	N	29.9	Very low	29.3	Very low	171 Å²	171	133.3 Å²	133.3	91%	0.914	78%	0.781	S	S	*	*			trans	-104.8	155.4	166.3	-78.6	-44.7	0	0	0	110.5
972	A	31.7	Very low	29.5	Very low	103 Å²	103	133.5 Å²	133.5	85%	0.851	78%	0.782	S	S	*	*			trans	-156.4	141.2	149.5	0	0	0	0	0	112
973	D	31.4	Very low	29.6	Very low	149 Å²	149	135 Å²	135	80%	0.797	78%	0.777	S	S	*	*			trans	-23.2	138.5	-175.7	-82.9	-77.2	0	0	0	126.3
974	S	34.5	Very low	29.8	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	78%	0.776	S	S	*	*			trans	19.5	135.8	131	65	0	0	0	0	123.2
975	Q	27.3	Very low	30	Very low	194 Å²	194	133.6 Å²	133.6	91%	0.907	77%	0.771	S	S	*	*				-168	172.7	97.3	-105.5	-169	-10.8	0	0	114.1
976	D	28.6	Very low	30.3	Very low	165 Å²	165	134.3 Å²	134.3	88%	0.882	77%	0.77	S	S	*	*			trans	-111	165.5	-174.7	-178.2	24.1	0	0	0	111.3
977	G	26.2	Very low	30.1	Very low	73 Å²	73	132.2 Å²	132.2	75%	0.753	77%	0.766	S	S	*	*			trans	160.5	96.5	173.4	0	0	0	0	0	116.9
978	S	30.9	Very low	30.3	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	77%	0.772	S	S	*	*			trans	-93.2	157.8	160.4	179.6	0	0	0	0	110.8
979	L	29.1	Very low	29.1	Very low	149 Å²	149	133.1 Å²	133.1	78%	0.78	77%	0.774	S	S	*	*			trans	168.4	155.4	131	-93.6	162.8	0	0	0	116.3
980	T	28.6	Very low	29.4	Very low	111 Å²	111	137 Å²	137	68%	0.681	79%	0.785	S	S	*	*			trans	64.6	131.8	161.3	50.8	0	0	0	0	118.3
981	D	27.1	Very low	29.3	Very low	134 Å²	134	134.4 Å²	134.4	72%	0.717	79%	0.786	S	S	*	*			cis	78	112.2	30.3	-58.1	-54.1	0	0	0	116.2
982	H	28.1	Very low	30.1	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.787	78%	0.783	S	S	*	*				-178.7	167.1	103.6	-102.6	-66.7	0	0	0	113.5
983	E	27.6	Very low	29.8	Very low	138 Å²	138	131.3 Å²	131.3	65%	0.645	78%	0.782	S	S	*	*			trans	-82.5	171.9	179.3	-38.6	105.5	103.5	0	0	113.7
984	F	29.3	Very low	29.8	Very low	194 Å²	194	127.8 Å²	127.8	85%	0.851	78%	0.78	S	S	*	*				-168.2	167.8	105.7	-119.4	-94	0	0	0	114.6
985	T	28.8	Very low	30.3	Very low	109 Å²	109	129.6 Å²	129.6	67%	0.669	79%	0.79	S	S	*	*			trans	-100.8	157.8	-165.1	-36.1	0	0	0	0	114.3
986	T	30.2	Very low	30.4	Very low	146 Å²	146	128.7 Å²	128.7	90%	0.896	79%	0.786	S	S	*	*				155.4	158.6	127.4	45.9	0	0	0	0	115.8
987	G	26.2	Very low	31.3	Very low	64 Å²	64	126.1 Å²	126.1	66%	0.66	78%	0.778	S	S	*	*			trans	116.1	83.2	161.5	0	0	0	0	0	117.1
988	T	32.7	Very low	31.6	Very low	140 Å²	140	130.6 Å²	130.6	86%	0.859	78%	0.781	S	S	*	*				78	97.9	73.2	66.3	0	0	0	0	119.6
989	A	28.8	Very low	32	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	78%	0.778	S	S	*	*				76.2	124.6	125.4	0	0	0	0	0	126.1
990	K	30	Very low	32.9	Very low	201 Å²	201	128.3 Å²	128.3	87%	0.874	78%	0.78	S	S	*	*			trans	84.7	133.9	135	-77.5	179.7	176	179.1	0	124.7
991	S	27.6	Very low	33.1	Very low	116 Å²	116	125.9 Å²	125.9	81%	0.811	78%	0.777	S	S	*	*			trans	69.8	164.9	155.7	-116.7	0	0	0	0	117.5
992	P	47.3	Very low	33.4	Very low	130 Å²	130	126 Å²	126	84%	0.844	78%	0.776	S	S	*	*			cis	-79.4	-153.9	-8.4	-18.9	37.6	0	0	0	115.3
993	G	25.6	Very low	33.6	Very low	80 Å²	80	126.3 Å²	126.3	83%	0.825	78%	0.775	S	S	*	*			cis	172	-167.6	-0.2	0	0	0	0	0	116.1
994	G	30.6	Very low	33.9	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	78%	0.779	S	S	*	*			trans	-168.7	-170.8	174	0	0	0	0	0	108.9
995	P	44.9	Very low	33.8	Very low	134 Å²	134	122.1 Å²	122.1	87%	0.87	77%	0.774	S	S	*	*			cis	-144	-158.3	13.6	40.9	-17.3	0	0	0	115.5
996	Q	30.3	Very low	33.8	Very low	175 Å²	175	125 Å²	125	82%	0.818	78%	0.78	S	S	*	*			trans	-84.7	168.2	155.8	-108.1	-170.5	-4.7	0	0	110.4
997	P	48.4	Very low	33.8	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	78%	0.777	S	S	*	*			cis	-153.3	175.5	43.2	42.5	-20	0	0	0	120.2
998	M	31.6	Very low	34.2	Very low	167 Å²	167	137 Å²	137	82%	0.823	79%	0.788	S	S	*	*			trans	38.4	116.6	144.6	-65.3	179.3	72.3	0	0	124.1
999	A	39.1	Very low	34.5	Very low	82 Å²	82	135.7 Å²	135.7	68%	0.678	78%	0.783	S	S	*	*				42	149.7	106.4	0	0	0	0	0	120.9
1000	P	47.3	Very low	34.5	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	78%	0.778	S	S	*	*			cis	-75.5	173.4	33.4	25.9	-36.7	0	0	0	117.4
1001	G	33	Very low	34.6	Very low	60 Å²	60	131.1 Å²	131.1	62%	0.619	77%	0.766	S	S	*	*			cis	-140.7	-166.4	12.7	0	0	0	0	0	115.1
1002	I	34.6	Very low	34.6	Very low	137 Å²	137	130.5 Å²	130.5	70%	0.703	76%	0.761	S	S	*	*			cis	68.6	113.3	20.4	-53.9	176.7	0	0	0	111.4
1003	F	31.7	Very low	33.9	Very low	175 Å²	175	126.1 Å²	126.1	77%	0.768	73%	0.734	S	S	*	*			cis	-149.7	166.9	-5.8	-98.4	-24.9	0	0	0	109.9
1004	L	32.9	Very low	34.5	Very low	139 Å²	139	127.8 Å²	127.8	73%	0.728	73%	0.73	S	S	*	*			cis	-117.2	-109.8	-1.7	-138.7	174.1	0	0	0	110.9
1005	S	28.8	Very low	34.5	Very low	105 Å²	105	130.8 Å²	130.8	73%	0.734	73%	0.729	S	S	*	*			cis	-151.4	-172.2	-12.4	-164.4	0	0	0	0	109.9
1006	Q	29	Very low	33.8	Very low	171 Å²	171	131.8 Å²	131.8	80%	0.799	73%	0.727	S	S	*	*			trans	-125	152.7	-165.9	-68.5	-170.6	17.4	0	0	114.7
1007	R	28.7	Very low	33.6	Very low	224 Å²	224	127.7 Å²	127.7	85%	0.845	72%	0.717	S	S	*	*			cis	-163.7	161.9	-32.6	-133.5	-177.7	-168.9	-172.8	4.3	109.8
1008	R	34.3	Very low	32.7	Very low	236 Å²	236	128.3 Å²	128.3	89%	0.891	72%	0.719	S	S	*	*			trans	-153.9	-180	175.9	-53	-176.6	-178.2	152	3.5	107.4
1009	P	40.6	Very low	32.6	Very low	114 Å²	114	127.5 Å²	127.5	74%	0.74	72%	0.718	S	S	*	*			cis	-137.9	-151	-1.8	39.1	-16.6	0	0	0	114
1010	S	27.2	Very low	32.1	Very low	96 Å²	96	128.4 Å²	128.4	67%	0.671	72%	0.72	S	S	*	*			trans	84.7	124.1	137.6	54.3	0	0	0	0	125.3
1011	V	32.4	Very low	31.1	Very low	102 Å²	102	128.6 Å²	128.6	62%	0.618	72%	0.719	S	S	*	*			trans	33.7	156.7	145.6	-70.6	0	0	0	0	125.8
1012	S	29.1	Very low	30.8	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	72%	0.724	S	S	*	*			trans	114.4	167.4	145.6	78.7	0	0	0	0	117.7
1013	S	31.7	Very low	30.5	Very low	39 Å²	39	129.1 Å²	129.1	27%	0.273	72%	0.721	S	S	.	*			trans	-133.2	152.2	-175.3	-55.3	0	0	0	0	110.9	L628	L628-S1013 WeakPolarHBondContact O-CB 3.41Å; L628-S1013 PolarHBondContact O-OG 2.84Å
1014	P	37.9	Very low	30.3	Very low	114 Å²	114	127.6 Å²	127.6	74%	0.74	72%	0.721	S	S	*	*			trans	-138.2	-162.5	138.9	36.1	-20.9	0	0	0	113.8
1015	N	30	Very low	30.1	Very low	138 Å²	138	125.5 Å²	125.5	74%	0.738	72%	0.718	S	S	*	*			trans	-106.8	163.6	-154.6	-76.5	-20.8	0	0	0	117.1
1016	N	30.6	Very low	30.1	Very low	155 Å²	155	125.8 Å²	125.8	83%	0.829	72%	0.72	S	S	*	*			trans	93.5	155.4	139.3	-136.3	5.4	0	0	0	122.2
1017	S	27.4	Very low	30.1	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	72%	0.717	S	S	*	*			trans	88	109.2	159.6	-50.7	0	0	0	0	120.6
1018	T	29.2	Very low	30.1	Very low	124 Å²	124	116.3 Å²	116.3	76%	0.761	71%	0.712	S	S	*	*			trans	68.2	120.1	137	53.1	0	0	0	0	123.8
1019	N	28	Very low	29.9	Very low	151 Å²	151	109.1 Å²	109.1	81%	0.807	70%	0.703	S	S	*	*				93.2	144.9	128.9	-77.3	-0.3	0	0	0	124.5
1020	S	29.5	Very low	29.4	Very low	101 Å²	101	115.4 Å²	115.4	71%	0.706	71%	0.712	S	S	*	*			trans	61.2	93.1	153.9	46.3	0	0	0	0	120.3
1021	T	26.2	Very low	29.5	Very low	129 Å²	129	114.1 Å²	114.1	79%	0.791	71%	0.708	S	S	*	*				32.3	142.9	102.2	-35.1	0	0	0	0	119.8
1022	S	27.5	Very low	29.4	Very low	104 Å²	104	115.3 Å²	115.3	73%	0.727	71%	0.71	S	S	*	*			trans	76	156.4	158.8	89.4	0	0	0	0	116.1
1023	T	27.3	Very low	29.4	Very low	105 Å²	105	121 Å²	121	64%	0.644	72%	0.716	S	S	*	*			cis	-161.6	156.4	-22.4	12.9	0	0	0	0	110
1024	N	26.9	Very low	29.5	Very low	142 Å²	142	127.7 Å²	127.7	76%	0.759	75%	0.748	S	S	*	*			trans	63	168.5	144.9	-67.7	-13.9	0	0	0	121.7
1025	S	29.4	Very low	29	Very low	95 Å²	95	125.2 Å²	125.2	66%	0.664	74%	0.744	S	S	*	*			trans	58.6	100.6	147	45.3	0	0	0	0	119
1026	S	29.1	Very low	30.1	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	75%	0.748	S	S	*	*				46.1	145.2	101.3	79.9	0	0	0	0	118.8
1027	S	29.3	Very low	30.2	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	74%	0.742	S	S	*	*			cis	-164.9	-169.5	33.5	74.2	0	0	0	0	113.7
1028	A	28.9	Very low	30.6	Very low	89 Å²	89	125 Å²	125	74%	0.736	75%	0.754	S	S	*	*			trans	-25	160.4	153.3	0	0	0	0	0	117.5
1029	A	29.4	Very low	30.9	Very low	85 Å²	85	122.7 Å²	122.7	70%	0.702	75%	0.748	S	S	*	*			cis	-178.7	-166.3	-14.5	0	0	0	0	0	107.5
1030	R	30.4	Very low	31.3	Very low	245 Å²	245	125.9 Å²	125.9	93%	0.925	76%	0.755	S	S	*	*			trans	72.5	156.1	164.8	-64.5	-172.2	179.1	-153.5	1.4	115.5
1031	A	29.3	Very low	31.7	Very low	70 Å²	70	125.7 Å²	125.7	58%	0.579	76%	0.759	S	S	*	*			cis	-163.6	179.5	-26.1	0	0	0	0	0	109.1
1032	D	29.6	Very low	32.4	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	77%	0.766	S	S	*	*			trans	67	111.3	156.1	-64.1	-52.1	0	0	0	117.1
1033	R	30	Very low	32.8	Very low	222 Å²	222	135.4 Å²	135.4	84%	0.838	77%	0.771	S	S	*	*				86	115.5	74.1	-81.6	-179.1	-166.8	-138.2	-0.6	111.8
1034	L	33	Very low	33.2	Very low	179 Å²	179	137 Å²	137	94%	0.937	78%	0.775	S	S	*	*				179.5	154.8	114.8	-92.8	159.4	0	0	0	109.7
1035	G	27.7	Very low	33.9	Very low	63 Å²	63	140.5 Å²	140.5	65%	0.649	78%	0.783	S	S	*	*			trans	-118.9	-153.4	168.2	0	0	0	0	0	109.6
1036	P	53.3	Low	34.4	Very low	127 Å²	127	145.3 Å²	145.3	83%	0.825	79%	0.792	S	S	*	*			cis	-140	-158.3	13.1	43.1	-23.5	0	0	0	114.5
1037	A	33.4	Very low	34.7	Very low	86 Å²	86	143.3 Å²	143.3	71%	0.711	79%	0.789	S	S	*	*			trans	75.4	144.1	161.5	0	0	0	0	0	118
1038	D	34.5	Very low	35.1	Very low	163 Å²	163	147.6 Å²	147.6	87%	0.872	80%	0.8	S	S	*	*			cis	-147.5	177.4	-10.5	-135.5	-40.3	0	0	0	114.3
1039	A	37.1	Very low	35.5	Very low	76 Å²	76	147.1 Å²	147.1	63%	0.628	80%	0.796	S	S	*	*			trans	-108.6	167.1	-150.4	0	0	0	0	0	117.6
1040	K	35.9	Very low	36.5	Very low	218 Å²	218	148.8 Å²	148.8	95%	0.948	80%	0.798	S	S	*	*				-163.9	158.4	128.7	-104.2	151.1	-171.9	169.4	0	111.8
1041	A	36.9	Very low	37	Very low	97 Å²	97	141.4 Å²	141.4	80%	0.802	79%	0.789	S	S	*	*			trans	-144.9	161.4	-163.7	0	0	0	0	0	114.8
1042	K	41.3	Very low	37.7	Very low	215 Å²	215	147.6 Å²	147.6	94%	0.935	80%	0.803	S	S	*	*			trans	-149.4	162.9	158.1	-108.9	167.7	-175.3	174.8	0	110.5
1043	R	35.7	Very low	38.6	Very low	222 Å²	222	149.4 Å²	149.4	84%	0.838	81%	0.807	S	S	*	*			trans	-135.2	132.5	-140.3	-168.4	177.3	-179.7	-172.6	0.6	115.6
1044	L	35.8	Very low	39.1	Very low	137 Å²	137	149.7 Å²	149.7	72%	0.717	81%	0.808	S	S	*	*			trans	47.2	130.3	152.3	-67.2	170.9	0	0	0	122.1
1045	K	41.4	Very low	39.5	Very low	216 Å²	216	149.4 Å²	149.4	94%	0.939	81%	0.807	S	S	*	*				-153.2	161.5	110.7	-110.5	170.4	-175.9	177	0	110.9
1046	K	40.2	Very low	40.1	Very low	196 Å²	196	150 Å²	150	85%	0.852	81%	0.813	S	S	*	*			trans	-142.2	134	-164	-177.1	178.2	-178.8	178.6	0	111.5
1047	G	36.1	Very low	39.4	Very low	70 Å²	70	153.5 Å²	153.5	72%	0.722	82%	0.815	S	S	*	*			trans	-106.7	159.3	170.1	0	0	0	0	0	112
1048	M	37.6	Very low	40	Very low	197 Å²	197	156.6 Å²	156.6	97%	0.97	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-96.2	144.1	-172.6	-69.1	171.7	63.6	0	0	113.3
1049	A	37.4	Very low	40	Very low	79 Å²	79	156.3 Å²	156.3	65%	0.653	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-100.7	152	169.5	0	0	0	0	0	111
1050	T	50.5	Low	39.8	Very low	121 Å²	121	162 Å²	162	74%	0.742	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.5	163.2	-171.3	52.5	0	0	0	0	113.9	K1052	T1050-K1052 PolarHBondContact O-N 3.39Å
1051	A	39.4	Very low	40	Very low	89 Å²	89	159.3 Å²	159.3	74%	0.736	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-63.5	-4.5	-163.9	0	0	0	0	0	117.2	Q1053 R1054	A1051-Q1053 PolarHBondContact O-N 3.41Å; A1051-Q1053 VanDerWaalsContact O-N 3.15Å; A1051-R1054 PolarHBondContact O-N 3.36Å
1052	K	45.2	Very low	39.8	Very low	200 Å²	200	163 Å²	163	87%	0.87	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-68.8	-11.6	-176.8	-157.4	167.3	-176	175.2	0	114.1	T1050	T1050-K1052 PolarHBondContact O-N 3.39Å
1053	Q	47.7	Very low	39.6	Very low	164 Å²	164	163.2 Å²	163.2	77%	0.766	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-87.8	2.2	179.3	-70.2	-175.4	-25.5	0	0	115.4	A1051	A1051-Q1053 PolarHBondContact O-N 3.41Å; A1051-Q1053 VanDerWaalsContact O-N 3.15Å
1054	R	41.9	Very low	39.4	Very low	229 Å²	229	159.9 Å²	159.9	86%	0.864	82%	0.815	S	S	*	*	S	Bend	trans	-102.4	-5.9	-174.3	-77.3	-170.6	171.5	-165.6	-3.4	117	A1051	A1051-R1054 PolarHBondContact O-N 3.36Å
1055	L	39.9	Very low	39.1	Very low	172 Å²	172	156.8 Å²	156.8	90%	0.901	82%	0.817	S	S	*	*	S	Bend	trans	-108.3	-1.6	-176.1	-90.4	161.4	0	0	0	115.7
1056	G	40.8	Very low	38.8	Very low	77 Å²	77	156 Å²	156	79%	0.794	81%	0.813	S	S	*	*	S	Bend	trans	-97.5	27.5	-178.2	0	0	0	0	0	115.7
1057	K	39.3	Very low	38.3	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	81%	0.807	S	S	*	*	S	Bend	trans	-123.7	10.8	-172.6	-89.4	-165.3	173.4	-171.1	0	115.8
1058	I	45.8	Very low	38	Very low	151 Å²	151	157 Å²	157	77%	0.774	81%	0.81	S	S	*	*	S	Bend	trans	-123.1	144.7	172.5	-53.1	-179.8	0	0	0	107.1
1059	L	34	Very low	37.8	Very low	158 Å²	158	159.1 Å²	159.1	83%	0.827	82%	0.824	S	S	*	*			trans	67.5	86.6	-170.5	-51.5	-175.8	0	0	0	114.8
1060	K	33.6	Very low	37.8	Very low	195 Å²	195	163.1 Å²	163.1	85%	0.848	83%	0.832	S	S	*	*			trans	-122.1	98.6	163.5	-179	-172.3	179	-172.2	0	107.7
1061	I	38.7	Very low	37.1	Very low	161 Å²	161	165.3 Å²	165.3	83%	0.826	84%	0.837	S	S	*	*			trans	-115.6	157.9	177.4	-62.2	-178.6	0	0	0	109.1
1062	H	32.9	Very low	37	Very low	175 Å²	175	169.6 Å²	169.6	81%	0.81	84%	0.843	S	S	*	*			trans	-104	179.9	-150	-135.7	-124.1	0	0	0	115.5
1063	R	37.5	Very low	36.5	Very low	220 Å²	220	167.8 Å²	167.8	83%	0.83	84%	0.841	S	S	*	*			trans	-81.1	147.2	-172.8	-144.8	178.4	-176.8	165.4	-3.5	111.9
1064	N	32.1	Very low	35.8	Very low	151 Å²	151	168 Å²	168	81%	0.807	85%	0.846	S	S	*	*			trans	109.9	111.1	155.8	-56.4	-9.5	0	0	0	118
1065	G	29.6	Very low	35.4	Very low	73 Å²	73	163.9 Å²	163.9	75%	0.753	84%	0.844	S	S	*	*			trans	114.8	118.7	147.4	0	0	0	0	0	118
1066	K	34.3	Very low	35.1	Very low	198 Å²	198	163.4 Å²	163.4	86%	0.861	84%	0.84	S	S	*	*			trans	32.6	133.3	133	-76.3	-175.7	179.6	-175.6	0	118.7
1067	L	29.6	Very low	34.6	Very low	138 Å²	138	170 Å²	170	72%	0.723	84%	0.844	S	S	*	*			cis	-163.4	171.5	29.5	-106.9	147.8	0	0	0	111.6
1068	L	31.1	Very low	34.2	Very low	149 Å²	149	167.6 Å²	167.6	78%	0.78	84%	0.842	S	S	*	*			trans	48.3	108.4	151.5	-69.5	160.2	0	0	0	119.9
1069	L	31.5	Very low	33.2	Very low	242 Å²	242	169.1 Å²	169.1	100%	1.267	85%	0.848	S	S	*	*				-149.6	0	91.4	-115.9	164.4	0	0	0	110.1

Retrieved 1,069 of 1,069 residues in 1477 ms (Link to these results)

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