A0A087X7P7_POEFO Loading...

Galactose-1-phosphate uridylyltransferase

Plays an important role in galactose metabolism.

AlphaFold DB , UniProt , Accession A0A087X7P7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	67.8	Low	249 Å²	249	127.8 Å²	127.8	100%	1.227	72%	0.721	S	S	*	*				0	82.6	0	-64.6	-177.7	-167.3	0	0	108
2	S	45	Very low	69.3	Low	121 Å²	121	127.2 Å²	127.2	85%	0.846	70%	0.704	S	S	*	*			trans	-89.4	106.1	171.2	49.5	0	0	0	0	107	N4	S2-N4 PolarHBondContact O-N 3.32Å
3	G	46.3	Very low	70.5	Confident	70 Å²	70	123.7 Å²	123.7	72%	0.722	68%	0.679	S	S	*	*			trans	-58.3	127.2	-178.6	0	0	0	0	0	110.8	Q5	G3-Q5 VanDerWaalsContact C-N 3.34Å; G3-Q5 PolarHBondContact O-N 2.98Å
4	N	52.3	Low	72	Confident	159 Å²	159	119.7 Å²	119.7	85%	0.85	65%	0.653	S	S	*	*			trans	-57.6	101.8	157.7	-107	-0.8	0	0	0	106.5	S2 D6	S2-N4 PolarHBondContact O-N 3.32Å; N4-D6 PolarHBondContact O-N 3.24Å
5	Q	58.8	Low	73.5	Confident	172 Å²	172	119.1 Å²	119.1	80%	0.804	64%	0.644	S	S	*	*			trans	-69.9	109.7	158.3	-81.8	-177.9	-16.9	0	0	105.8	G3 L7	G3-Q5 VanDerWaalsContact C-N 3.34Å; G3-Q5 PolarHBondContact O-N 2.98Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.06Å
6	D	61.5	Low	75	Confident	154 Å²	154	113.4 Å²	113.4	82%	0.824	61%	0.612	S	S	*	*			trans	-57.4	102	166.6	-96.2	-29.7	0	0	0	107.7	N4 S8	N4-D6 PolarHBondContact O-N 3.24Å; D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 2.89Å
7	L	77.8	Confident	76.3	Confident	149 Å²	149	111.6 Å²	111.6	78%	0.78	60%	0.602	S	S	*	*			trans	-70.6	91.4	173.8	-77.1	160.9	0	0	0	107.8	Q5	Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-L7 PolarHBondContact O-N 3.06Å
8	S	90.9	Very high	77.5	Confident	97 Å²	97	105.9 Å²	105.9	68%	0.678	57%	0.57	S	S	*	*			trans	-64.8	134.5	172.3	60.7	0	0	0	0	110.2	D6 D10 H14	D6-S8 VanDerWaalsContact C-N 3.32Å; D6-S8 PolarHBondContact O-N 2.89Å; S8-D10 PolarHBondContact O-N 2.94Å; S8-H14 PolarHBondContact O-CE1 3.01Å
9	F	90.6	Very high	78.7	Confident	122 Å²	122	104.6 Å²	104.6	54%	0.535	56%	0.557	S	S	.	*			trans	-65.1	123.7	176.9	174.3	-102.2	0	0	0	111.6	P11 H14 H16	F9-P11 HydrophobicContact CE1-CB 3.84Å; F9-P11 HydrophobicContact CE1-CG 4.25Å; F9-P11 HydrophobicContact CZ-CB 3.98Å; F9-H14 HydrophobicContact CD2-CB 3.9Å; F9-H14 HydrophobicContact CE2-CB 3.84Å; F9-H16 HydrophobicContact CE2-CB 4.02Å; F9-H16 HydrophobicContact CZ-CB 3.84Å; F9-H16 AromaticContact CZ-CG 3.84Å; F9-H16 AromaticContact CZ-ND1 3.86Å
10	D	89.7	Confident	79.7	Confident	63 Å²	63	99.7 Å²	99.7	34%	0.337	53%	0.53	S	S	.	.			trans	-116	114.1	168.6	-177	-6.2	0	0	0	110	S8 K12 E13 H14	S8-D10 PolarHBondContact O-N 2.94Å; D10-K12 PolarHBondContact O-N 3.39Å; D10-K12 VanDerWaalsContact O-N 3.1Å; D10-K12 VanDerWaalsContact OD1-CB 3.29Å; D10-K12 WeakPolarHBondContact OD1-CB 3.36Å; D10-K12 PolarHBondContact OD1-N 2.83Å; D10-E13 PolarHBondContact O-N 2.86Å; D10-E13 VanDerWaalsContact O-N 3.12Å; D10-H14 PolarHBondContact N-ND1 2.9Å; D10-H14 VanDerWaalsContact N-ND1 3.17Å; D10-H14 WeakPolarHBondContact O-CB 3.29Å; D10-H14 PolarHBondContact O-N 3.36Å
11	P	88.4	Confident	80.6	Confident	50 Å²	50	96.3 Å²	96.3	33%	0.325	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.9	178.3	27.1	-34.7	0	0	0	114	F9 H16	F9-P11 HydrophobicContact CE1-CB 3.84Å; F9-P11 HydrophobicContact CE1-CG 4.25Å; F9-P11 HydrophobicContact CZ-CB 3.98Å; P11-H16 PolarHBondContact O-CE1 3.14Å
12	K	85.4	Confident	83.1	Confident	120 Å²	120	84.7 Å²	84.7	52%	0.522	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.4	176.2	-61.7	-180	179.9	179.6	0	113.5	D10 A31	D10-K12 PolarHBondContact O-N 3.39Å; D10-K12 VanDerWaalsContact O-N 3.1Å; D10-K12 VanDerWaalsContact OD1-CB 3.29Å; D10-K12 WeakPolarHBondContact OD1-CB 3.36Å; D10-K12 PolarHBondContact OD1-N 2.83Å; K12-A31 WeakPolarHBondContact O-CB 3.36Å
13	E	85.3	Confident	85.6	Confident	82 Å²	82	81.6 Å²	81.6	38%	0.383	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-40.7	-178.7	-66.8	-66.4	157.1	0	0	111.7	D10 H32 K35	D10-E13 PolarHBondContact O-N 2.86Å; D10-E13 VanDerWaalsContact O-N 3.12Å; E13-H32 PolarHBondContact O-ND1 3.27Å; E13-K35 IonicContact OE1-NZ 3.06Å; E13-K35 PolarHBondContact OE1-NZ 3.18Å; E13-K35 IonicContact OE2-NZ 2.89Å; E13-K35 PolarHBondContact OE2-NZ 3.31Å
14	H	91.4	Very high	88	Confident	68 Å²	68	82.7 Å²	82.7	32%	0.315	42%	0.416	S	S	.	.	S	Bend	trans	-88.7	141.1	-175.2	-57.3	149	0	0	0	113.5	S8 F9 D10 H16	S8-H14 PolarHBondContact O-CE1 3.01Å; F9-H14 HydrophobicContact CD2-CB 3.9Å; F9-H14 HydrophobicContact CE2-CB 3.84Å; D10-H14 PolarHBondContact N-ND1 2.9Å; D10-H14 VanDerWaalsContact N-ND1 3.17Å; D10-H14 WeakPolarHBondContact O-CB 3.29Å; D10-H14 PolarHBondContact O-N 3.36Å; H14-H16 PolarHBondContact O-ND1 3.25Å
15	Q	94.1	Very high	90.2	Very high	110 Å²	110	76.8 Å²	76.8	51%	0.514	39%	0.388	S	S	.	.			trans	-66.9	138.2	177	-57.3	85	-24.4	0	0	110.6	V29 H32	Q15-V29 VanDerWaalsContact CA-O 3.25Å; Q15-V29 WeakPolarHBondContact CA-O 3.26Å; Q15-H32 VanDerWaalsContact CD-CE1 3.47Å; Q15-H32 PolarHBondContact NE2-CE1 3.32Å
16	H	96.9	Very high	92.1	Very high	29 Å²	29	75 Å²	75	13%	0.134	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.2	177.6	59.3	-79.1	0	0	0	111.1	F9 P11 H14 R18 V29	F9-H16 HydrophobicContact CE2-CB 4.02Å; F9-H16 HydrophobicContact CZ-CB 3.84Å; F9-H16 AromaticContact CZ-CG 3.84Å; F9-H16 AromaticContact CZ-ND1 3.86Å; P11-H16 PolarHBondContact O-CE1 3.14Å; H14-H16 PolarHBondContact O-ND1 3.25Å; H16-R18 PolarHBondContact NE2-NE 3.04Å; H16-V29 PolarHBondContact N-O 3.48Å; H16-V29 VanDerWaalsContact N-O 3.14Å; H16-V29 PolarHBondContact O-N 3.42Å
17	L	97.9	Very high	93.9	Very high	83 Å²	83	67.7 Å²	67.7	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.5	174.3	-61.2	-179.5	0	0	0	110.4	W26 V27 L28	L17-W26 HydrophobicContact CB-CD2 4.36Å; L17-W26 HydrophobicContact CB-CE3 3.54Å; L17-W26 HydrophobicContact CB-CZ3 4.03Å; L17-W26 HydrophobicContact CD1-CE3 4.47Å; L17-V27 CarbonylContact C-O 3.5Å; L17-V27 WeakPolarHBondContact CA-O 3.01Å; L17-L28 HydrophobicContact CD2-CB 4.08Å; L17-L28 HydrophobicContact CD2-CD1 4.02Å
18	R	98.4	Very high	94.8	Very high	8 Å²	8	62.3 Å²	62.3	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.7	170.4	-64.4	-169	-178.7	-166.2	2.9	110.1	H16 W26 V27 V29 Y230 E337	H16-R18 PolarHBondContact NE2-NE 3.04Å; R18-W26 WeakPolarHBondContact O-CA 3.38Å; R18-V27 PolarHBondContact N-O 3.35Å; R18-V27 PolarHBondContact O-N 3.04Å; R18-V29 HydrophobicContact CG-CG2 3.9Å; R18-Y230 HydrophobicContact CB-CD1 4.14Å; R18-Y230 HydrophobicContact CB-CE1 3.7Å; R18-Y230 WeakPolarHBondContact CD-O 3.46Å; R18-Y230 HydrophobicContact CG-CD1 4.39Å; R18-Y230 HydrophobicContact CG-CE1 3.7Å; R18-Y230 VanDerWaalsContact NH1-CD2 3.31Å; R18-Y230 PolarHBondContact NH1-O 3.29Å; R18-E337 IonicContact CZ-OE1 3.7Å; R18-E337 IonicContact CZ-OE2 2.72Å; R18-E337 IonicContact NH1-OE1 3.43Å; R18-E337 PolarHBondContact NH1-OE1 3.46Å; R18-E337 IonicContact NH1-OE2 2.86Å; R18-E337 PolarHBondContact NH1-OE2 3.19Å; R18-E337 IonicContact NH2-OE1 3.66Å; R18-E337 PolarHBondContact NH2-OE1 2.96Å; R18-E337 IonicContact NH2-OE2 3.12Å; R18-E337 PolarHBondContact NH2-OE2 3.45Å
19	Y	98.8	Very high	95.1	Very high	81 Å²	81	57.7 Å²	57.7	32%	0.318	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.5	-178.2	-179.9	-113.4	0	0	0	111.3	P21 D24 S25 W26 W231	Y19-P21 HydrophobicContact CD1-CB 4.13Å; Y19-P21 HydrophobicContact CE1-CB 3.79Å; Y19-P21 WeakPolarHBondContact O-CD 3.44Å; Y19-D24 VanDerWaalsContact CE2-OD1 3.29Å; Y19-D24 WeakPolarHBondContact CE2-OD1 3.32Å; Y19-D24 PolarHBondContact OH-OD1 3.18Å; Y19-S25 VanDerWaalsContact CD2-O 3.3Å; Y19-S25 WeakPolarHBondContact CD2-O 3.47Å; Y19-W26 HydrophobicContact CD2-CD2 4.18Å; Y19-W26 AromaticContact CD2-CE2 3.88Å; Y19-W26 HydrophobicContact CD2-CZ2 4.18Å; Y19-W26 AromaticContact CD2-NE1 3.99Å; Y19-W231 WeakPolarHBondContact O-CB 3.37Å
20	N	98.8	Very high	95.2	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.1	171.2	-176.3	-17.5	0	0	0	109.6	L22 R23 D24 S25 W231	N20-L22 PolarHBondContact O-N 2.84Å; N20-L22 WeakPolarHBondContact OD1-CB 3.43Å; N20-L22 PolarHBondContact OD1-N 2.86Å; N20-R23 HydrophobicContact CB-CB 4.41Å; N20-R23 PolarHBondContact O-N 3.1Å; N20-R23 PolarHBondContact OD1-N 3.12Å; N20-D24 WeakPolarHBondContact O-CA 3.42Å; N20-D24 PolarHBondContact O-N 3.33Å; N20-S25 PolarHBondContact N-O 3.14Å; N20-S25 PolarHBondContact O-N 3.32Å; N20-W231 HydrophobicContact CB-CB 3.72Å; N20-W231 HydrophobicContact CB-CG 3.75Å; N20-W231 VanDerWaalsContact ND2-CD1 3.28Å; N20-W231 PolarHBondContact OD1-NE1 3.1Å
21	P	98.5	Very high	94.7	Very high	29 Å²	29	49.7 Å²	49.7	19%	0.188	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.9	-176.2	35.7	-38.9	0	0	0	113.3	Y19 C190 L202 W231	Y19-P21 HydrophobicContact CD1-CB 4.13Å; Y19-P21 HydrophobicContact CE1-CB 3.79Å; Y19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-C190 VanDerWaalsContact O-CB 3.29Å; P21-C190 WeakPolarHBondContact O-CB 3.45Å; P21-L202 HydrophobicContact CB-CD1 3.99Å; P21-L202 HydrophobicContact CG-CD1 4.47Å; P21-L202 HydrophobicContact CG-CD2 4.19Å; P21-W231 HydrophobicContact CG-CD2 4.48Å; P21-W231 HydrophobicContact CG-CE3 4Å; P21-W231 HydrophobicContact CG-CH2 3.8Å; P21-W231 HydrophobicContact CG-CZ2 4.29Å; P21-W231 HydrophobicContact CG-CZ3 3.64Å
22	L	98	Very high	94.3	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-22.7	173	-71.3	176.4	0	0	0	113	N20 S187 Q191 L202 L203 W231	N20-L22 PolarHBondContact O-N 2.84Å; N20-L22 WeakPolarHBondContact OD1-CB 3.43Å; N20-L22 PolarHBondContact OD1-N 2.86Å; L22-S187 WeakPolarHBondContact O-CA 3.39Å; L22-Q191 HydrophobicContact CD2-CG 3.81Å; L22-L202 HydrophobicContact CD2-CD2 4.08Å; L22-L202 HydrophobicContact CG-CD2 4.49Å; L22-L203 HydrophobicContact CD1-CD1 4.33Å; L22-L203 HydrophobicContact CD1-CD2 4.08Å; L22-L203 HydrophobicContact CD2-CD1 4.04Å; L22-L203 HydrophobicContact CD2-CD2 4.09Å; L22-L203 HydrophobicContact CD2-CG 4.02Å; L22-L203 HydrophobicContact CG-CD2 4.26Å; L22-W231 HydrophobicContact CD1-CZ2 4.2Å; L22-W231 HydrophobicContact CG-CZ2 4.38Å
23	R	97.6	Very high	94.1	Very high	56 Å²	56	48.9 Å²	48.9	21%	0.211	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-9.6	-175.5	-71.5	-173.5	172.4	168.4	-4.1	114.3	N20 S25 E183 E330	N20-R23 HydrophobicContact CB-CB 4.41Å; N20-R23 PolarHBondContact O-N 3.1Å; N20-R23 PolarHBondContact OD1-N 3.12Å; R23-S25 VanDerWaalsContact C-N 3.34Å; R23-S25 WeakPolarHBondContact CB-OG 3.43Å; R23-S25 PolarHBondContact O-N 3.17Å; R23-E183 IonicContact CZ-OE1 3.23Å; R23-E183 IonicContact CZ-OE2 3.14Å; R23-E183 IonicContact NE-OE1 3.09Å; R23-E183 IonicContact NE-OE2 3.9Å; R23-E183 PolarHBondContact NE-OE2 2.75Å; R23-E183 IonicContact NH2-OE1 3.62Å; R23-E183 PolarHBondContact NH2-OE1 3.45Å; R23-E183 IonicContact NH2-OE2 2.65Å; R23-E183 PolarHBondContact NH2-OE2 2.99Å; R23-E330 IonicContact NH1-OE1 2.81Å
24	D	97.8	Very high	93.5	Very high	93 Å²	93	47.3 Å²	47.3	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	50.9	-171	-168	30.7	0	0	0	112.4	Y19 N20	Y19-D24 VanDerWaalsContact CE2-OD1 3.29Å; Y19-D24 WeakPolarHBondContact CE2-OD1 3.32Å; Y19-D24 PolarHBondContact OH-OD1 3.18Å; N20-D24 WeakPolarHBondContact O-CA 3.42Å; N20-D24 PolarHBondContact O-N 3.33Å
25	S	98.1	Very high	92.7	Very high	35 Å²	35	51 Å²	51	25%	0.245	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	169.8	-175.9	54.6	0	0	0	0	111.7	Y19 N20 R23	Y19-S25 VanDerWaalsContact CD2-O 3.3Å; Y19-S25 WeakPolarHBondContact CD2-O 3.47Å; N20-S25 PolarHBondContact N-O 3.14Å; N20-S25 PolarHBondContact O-N 3.32Å; R23-S25 VanDerWaalsContact C-N 3.34Å; R23-S25 WeakPolarHBondContact CB-OG 3.43Å; R23-S25 PolarHBondContact O-N 3.17Å
26	W	98.5	Very high	92	Very high	133 Å²	133	54 Å²	54	50%	0.504	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.9	-178.2	-66.2	88.3	0	0	0	111.6	L17 R18 Y19	L17-W26 HydrophobicContact CB-CD2 4.36Å; L17-W26 HydrophobicContact CB-CE3 3.54Å; L17-W26 HydrophobicContact CB-CZ3 4.03Å; L17-W26 HydrophobicContact CD1-CE3 4.47Å; R18-W26 WeakPolarHBondContact O-CA 3.38Å; Y19-W26 HydrophobicContact CD2-CD2 4.18Å; Y19-W26 AromaticContact CD2-CE2 3.88Å; Y19-W26 HydrophobicContact CD2-CZ2 4.18Å; Y19-W26 AromaticContact CD2-NE1 3.99Å
27	V	98.5	Very high	90.9	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	175.8	-175	0	0	0	0	109.3	L17 R18 T233 R332	L17-V27 CarbonylContact C-O 3.5Å; L17-V27 WeakPolarHBondContact CA-O 3.01Å; R18-V27 PolarHBondContact N-O 3.35Å; R18-V27 PolarHBondContact O-N 3.04Å; V27-T233 HydrophobicContact CB-CG2 4.5Å; V27-T233 HydrophobicContact CG1-CG2 4.13Å; V27-T233 HydrophobicContact CG2-CG2 3.53Å; V27-R332 HydrophobicContact CG1-CG 4.29Å
28	L	98.2	Very high	89.9	Confident	37 Å²	37	59.2 Å²	59.2	19%	0.194	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.3	172.8	176.4	61.9	0	0	0	110.5	L17 Y324 E330 Q331 R332	L17-L28 HydrophobicContact CD2-CB 4.08Å; L17-L28 HydrophobicContact CD2-CD1 4.02Å; L28-Y324 HydrophobicContact CD2-CE1 4.04Å; L28-E330 PolarHBondContact N-O 3.45Å; L28-Q331 HydrophobicContact CB-CB 4.19Å; L28-Q331 HydrophobicContact CB-CG 4.08Å; L28-Q331 HydrophobicContact CD2-CB 4.47Å; L28-Q331 HydrophobicContact CD2-CG 3.87Å; L28-Q331 HydrophobicContact CG-CG 3.97Å; L28-Q331 CarbonylContact O-C 3.59Å; L28-Q331 VanDerWaalsContact O-CA 3.27Å; L28-Q331 WeakPolarHBondContact O-CA 3.46Å; L28-R332 PolarHBondContact O-N 2.91Å
29	V	97.1	Very high	88.7	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.2	176.2	-174.6	0	0	0	0	109	Q15 H16 R18 R332 T335	Q15-V29 VanDerWaalsContact CA-O 3.25Å; Q15-V29 WeakPolarHBondContact CA-O 3.26Å; H16-V29 PolarHBondContact N-O 3.48Å; H16-V29 VanDerWaalsContact N-O 3.14Å; H16-V29 PolarHBondContact O-N 3.42Å; R18-V29 HydrophobicContact CG-CG2 3.9Å; V29-R332 HydrophobicContact CB-CG 4.4Å; V29-R332 HydrophobicContact CG1-CG 4.32Å; V29-R332 HydrophobicContact CG2-CG 4.05Å; V29-T335 HydrophobicContact CG1-CG2 4.29Å
30	S	92	Very high	87.8	Confident	8 Å²	8	62 Å²	62	6%	0.056	32%	0.316	C	S	.	.			trans	-130.7	73	-179	-56.3	0	0	0	0	110.7	H32 R33 R332	S30-H32 VanDerWaalsContact C-N 3.28Å; S30-H32 PolarHBondContact O-N 3.36Å; S30-H32 VanDerWaalsContact O-N 3.14Å; S30-R33 WeakPolarHBondContact O-CB 3.33Å; S30-R33 PolarHBondContact O-N 3.12Å; S30-R332 PolarHBondContact N-O 3.28Å
31	A	79.8	Confident	86.7	Confident	8 Å²	8	67.1 Å²	67.1	7%	0.066	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.6	-168.7	0	0	0	0	0	115.3	K12 R33 D333 T335	K12-A31 WeakPolarHBondContact O-CB 3.36Å; A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 3.3Å; A31-D333 CarbonylContact C-O 3.46Å; A31-D333 VanDerWaalsContact CA-O 3.26Å; A31-D333 WeakPolarHBondContact CA-O 3.48Å; A31-D333 VanDerWaalsContact O-O 3.12Å; A31-T335 HydrophobicContact CB-CG2 3.78Å
32	H	79.3	Confident	85.9	Confident	64 Å²	64	70.2 Å²	70.2	30%	0.296	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-70.3	-15.3	178.6	62	-85.8	0	0	0	113.9	E13 Q15 S30 M34 K35	E13-H32 PolarHBondContact O-ND1 3.27Å; Q15-H32 VanDerWaalsContact CD-CE1 3.47Å; Q15-H32 PolarHBondContact NE2-CE1 3.32Å; S30-H32 VanDerWaalsContact C-N 3.28Å; S30-H32 PolarHBondContact O-N 3.36Å; S30-H32 VanDerWaalsContact O-N 3.14Å; H32-M34 PolarHBondContact O-N 2.98Å; H32-K35 WeakPolarHBondContact O-CB 3.29Å; H32-K35 PolarHBondContact O-N 3.15Å
33	R	80.3	Confident	85.2	Confident	90 Å²	90	71.5 Å²	71.5	34%	0.34	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-65.9	-19.7	-176.4	-71	-167.2	78.8	-159.6	11.3	113.6	S30 A31 K35 R36 Q331 D333	S30-R33 WeakPolarHBondContact O-CB 3.33Å; S30-R33 PolarHBondContact O-N 3.12Å; A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 3.3Å; R33-K35 PolarHBondContact O-N 3.45Å; R33-R36 WeakPolarHBondContact O-CB 3.35Å; R33-R36 PolarHBondContact O-N 3.35Å; R33-R36 VanDerWaalsContact O-N 3.14Å; R33-Q331 VanDerWaalsContact NH1-CD 3.34Å; R33-D333 HydrophobicContact CB-CB 3.98Å; R33-D333 VanDerWaalsContact CB-OD1 3.29Å; R33-D333 WeakPolarHBondContact CB-OD1 3.42Å; R33-D333 WeakPolarHBondContact CD-OD1 3.45Å; R33-D333 IonicContact CZ-OD1 3.71Å; R33-D333 IonicContact NE-OD1 3.07Å; R33-D333 IonicContact NH1-OD1 2.92Å; R33-D333 PolarHBondContact NH1-OD1 3.14Å
34	M	72.8	Confident	84.1	Confident	49 Å²	49	77.8 Å²	77.8	24%	0.241	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.3	170.4	-76.5	-64	-67.2	0	0	113.2	H32 R36 L312 R313 D333 L334	H32-M34 PolarHBondContact O-N 2.98Å; M34-R36 PolarHBondContact O-N 3.5Å; M34-L312 HydrophobicContact SD-CD1 3.84Å; M34-L312 HydrophobicContact SD-CD2 4.45Å; M34-L312 HydrophobicContact SD-CG 4.2Å; M34-R313 HydrophobicContact CE-CG 4.11Å; M34-R313 PolarHBondContact O-NH2 3.26Å; M34-D333 HydrophobicContact CG-CB 4.12Å; M34-D333 WeakPolarHBondContact CG-O 3.27Å; M34-D333 HydrophobicContact SD-CB 4.19Å; M34-L334 HydrophobicContact CG-CB 4.43Å
35	K	75.8	Confident	82.7	Confident	145 Å²	145	77.6 Å²	77.6	63%	0.63	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-73.2	-13.9	179	-60.4	172.5	-176.3	165.3	0	112.8	E13 H32 R33	E13-K35 IonicContact OE1-NZ 3.06Å; E13-K35 PolarHBondContact OE1-NZ 3.18Å; E13-K35 IonicContact OE2-NZ 2.89Å; E13-K35 PolarHBondContact OE2-NZ 3.31Å; H32-K35 WeakPolarHBondContact O-CB 3.29Å; H32-K35 PolarHBondContact O-N 3.15Å; R33-K35 PolarHBondContact O-N 3.45Å
36	R	78.3	Confident	81.5	Confident	172 Å²	172	78.6 Å²	78.6	65%	0.649	40%	0.403	S	S	*	.	S	Bend	trans	-68	128.4	179.8	-168.7	-179.8	-176.7	-151.8	2.6	110.5	R33 M34 W38 R313	R33-R36 WeakPolarHBondContact O-CB 3.35Å; R33-R36 PolarHBondContact O-N 3.35Å; R33-R36 VanDerWaalsContact O-N 3.14Å; M34-R36 PolarHBondContact O-N 3.5Å; R36-W38 PolarHBondContact O-N 3.15Å; R36-R313 VanDerWaalsContact O-CZ 3.31Å; R36-R313 PolarHBondContact O-NH1 3.23Å; R36-R313 PolarHBondContact O-NH2 3.02Å
37	P	75.1	Confident	80.1	Confident	118 Å²	118	79.4 Å²	79.4	77%	0.766	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-56.7	132.4	173.4	-22.9	32.6	0	0	0	111
38	W	76.5	Confident	78.7	Confident	105 Å²	105	86.9 Å²	86.9	40%	0.398	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-94.7	119	174.1	180	-101.8	0	0	0	109.3	R36 G40 Q41 V317 F320	R36-W38 PolarHBondContact O-N 3.15Å; W38-G40 PolarHBondContact NE1-O 2.76Å; W38-Q41 WeakPolarHBondContact CZ2-O 3.43Å; W38-Q41 PolarHBondContact NE1-O 3.27Å; W38-V317 HydrophobicContact CD2-CG1 4.19Å; W38-V317 HydrophobicContact CG-CG1 4.14Å; W38-F320 AromaticContact CH2-CD2 3.94Å; W38-F320 HydrophobicContact CH2-CD2 3.94Å; W38-F320 AromaticContact CH2-CE2 3.7Å; W38-F320 HydrophobicContact CH2-CE2 3.7Å; W38-F320 AromaticContact CZ2-CE2 3.85Å; W38-F320 HydrophobicContact CZ2-CE2 3.85Å
39	A	73.6	Confident	77.9	Confident	107 Å²	107	92.8 Å²	92.8	88%	0.884	47%	0.473	S	S	*	.			trans	-123.8	19.2	172.5	0	0	0	0	0	111.5
40	G	78.8	Confident	77.6	Confident	39 Å²	39	95.2 Å²	95.2	40%	0.402	49%	0.485	S	S	.	.	S	Bend	trans	-89.2	-165.1	-179.3	0	0	0	0	0	112.9	W38	W38-G40 PolarHBondContact NE1-O 2.76Å
41	Q	76.3	Confident	77.7	Confident	114 Å²	114	98 Å²	98	53%	0.533	50%	0.504	S	S	.	.			trans	-55.5	140.8	-179.7	-176.5	175.2	-8.5	0	0	112.1	W38 F320	W38-Q41 WeakPolarHBondContact CZ2-O 3.43Å; W38-Q41 PolarHBondContact NE1-O 3.27Å; Q41-F320 HydrophobicContact CB-CZ 4.33Å
42	V	82.6	Confident	78.4	Confident	94 Å²	94	102.8 Å²	102.8	57%	0.57	52%	0.52	S	S	*	.			trans	-116.1	122	172.9	179.5	0	0	0	0	106.4	T316	V42-T316 CarbonylContact C-O 3.56Å; V42-T316 WeakPolarHBondContact CA-O 3.25Å; V42-T316 VanDerWaalsContact CG1-CB 3.44Å; V42-T316 HydrophobicContact CG1-CG2 4.18Å; V42-T316 WeakPolarHBondContact CG1-OG1 3.28Å
43	E	82.8	Confident	79.3	Confident	33 Å²	33	105.2 Å²	105.2	15%	0.154	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-73	153.3	-179.2	-63.4	-70.8	174.6	0	0	110.8	M162 T316 K318	E43-M162 HydrophobicContact CB-CE 3.64Å; E43-M162 HydrophobicContact CG-CE 3.49Å; E43-M162 VanDerWaalsContact CG-CE 3.49Å; E43-M162 HydrophobicContact CG-SD 4.38Å; E43-T316 PolarHBondContact N-O 3.42Å; E43-T316 WeakPolarHBondContact O-CB 3.2Å; E43-T316 WeakPolarHBondContact O-CG2 3.19Å; E43-K318 HydrophobicContact CG-CD 4.16Å; E43-K318 HydrophobicContact CG-CG 4.43Å; E43-K318 VanDerWaalsContact OE1-CD 3.31Å; E43-K318 WeakPolarHBondContact OE1-CD 3.23Å; E43-K318 WeakPolarHBondContact OE1-CE 3.41Å; E43-K318 IonicContact OE1-NZ 3.63Å; E43-K318 PolarHBondContact OE1-NZ 2.94Å
44	K	74.4	Confident	80	Confident	189 Å²	189	102.7 Å²	102.7	82%	0.822	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-71.2	140.3	172	-66.7	-177.5	-178.4	179	0	109.2
45	P	69.1	Low	81.1	Confident	89 Å²	89	104.7 Å²	104.7	58%	0.578	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-54.2	146.1	167.3	-20.9	31.8	0	0	0	110.1	T316	P45-T316 HydrophobicContact CG-CG2 4.5Å
46	P	71.6	Confident	82.1	Confident	56 Å²	56	107.8 Å²	107.8	36%	0.364	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-62	155.9	173.8	4.3	2.7	0	0	0	111.1	E48 V277	P46-E48 PolarHBondContact O-N 3.37Å; P46-V277 HydrophobicContact CG-CG2 3.15Å
47	E	70.2	Confident	82.9	Confident	150 Å²	150	100.2 Å²	100.2	70%	0.701	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64.2	125.6	178.4	-169.2	168.5	-158.9	0	0	111
48	E	68.4	Low	84	Confident	158 Å²	158	97 Å²	97	74%	0.738	50%	0.496	S	S	*	.	S	Bend	trans	-85.4	-17.6	-175.3	-69.3	-174.8	170.8	0	0	113.5	P46	P46-E48 PolarHBondContact O-N 3.37Å
49	H	81.7	Confident	85	Confident	160 Å²	160	92.6 Å²	92.6	74%	0.741	48%	0.48	S	S	*	.			trans	-124.2	66.1	-170.8	-65.2	-56.1	0	0	0	112.8
50	I	89.9	Confident	86.2	Confident	51 Å²	51	87.5 Å²	87.5	26%	0.262	44%	0.438	S	S	.	.			trans	-74.7	122	168.3	-61	158.1	0	0	0	107.8	S120 D121 P168	I50-S120 WeakPolarHBondContact CG2-O 3.45Å; I50-D121 WeakPolarHBondContact O-CB 3.47Å; I50-P168 HydrophobicContact CD1-CB 3.71Å; I50-P168 HydrophobicContact CG1-CB 3.96Å; I50-P168 HydrophobicContact CG2-CB 4.08Å; I50-P168 HydrophobicContact CG2-CG 4.11Å
51	P	94	Very high	87.1	Confident	68 Å²	68	86.8 Å²	86.8	44%	0.442	43%	0.426	S	S	.	.			trans	-66.1	138.6	175.5	28.6	-34.7	0	0	0	109.6	Y53 D54 S120	P51-Y53 PolarHBondContact O-N 2.94Å; P51-Y53 VanDerWaalsContact O-N 3.13Å; P51-D54 HydrophobicContact CG-CB 4.09Å; P51-S120 WeakPolarHBondContact O-CB 3.42Å
52	R	96	Very high	88.1	Confident	108 Å²	108	83 Å²	83	41%	0.408	42%	0.418	S	S	.	.	S	Bend	trans	-49.4	-42	176.8	176.6	159.3	-65.5	-156	0	112.8	W119 S120 D121	R52-W119 HydrophobicContact CG-CB 3.93Å; R52-W119 HydrophobicContact CG-CD2 4.28Å; R52-W119 HydrophobicContact CG-CG 3.7Å; R52-W119 VanDerWaalsContact NH1-CD2 3.34Å; R52-W119 VanDerWaalsContact NH1-CZ2 3.3Å; R52-S120 PolarHBondContact O-N 3.07Å; R52-S120 PolarHBondContact O-OG 3.14Å; R52-D121 WeakPolarHBondContact CA-OD1 2.93Å; R52-D121 WeakPolarHBondContact CB-OD1 3.47Å; R52-D121 WeakPolarHBondContact CG-OD1 3.37Å; R52-D121 IonicContact CZ-OD1 3.75Å; R52-D121 IonicContact CZ-OD2 3.22Å; R52-D121 IonicContact NE-OD1 3.86Å; R52-D121 PolarHBondContact NE-OD1 2.65Å; R52-D121 VanDerWaalsContact NE-OD1 3.12Å; R52-D121 IonicContact NE-OD2 3.66Å; R52-D121 PolarHBondContact NE-OD2 2.84Å; R52-D121 VanDerWaalsContact NE-OD2 3.07Å; R52-D121 IonicContact NH2-OD1 3.47Å; R52-D121 IonicContact NH2-OD2 2.84Å; R52-D121 PolarHBondContact NH2-OD2 2.89Å
53	Y	96.9	Very high	88.9	Confident	114 Å²	114	78.8 Å²	78.8	45%	0.447	39%	0.392	S	S	.	.			trans	-134.7	129.6	176.3	174.2	-96.5	0	0	0	109	P51 P55 C60 N63	P51-Y53 PolarHBondContact O-N 2.94Å; P51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-P55 HydrophobicContact CE1-CB 4.01Å; Y53-C60 HydrophobicContact CD2-CB 3.78Å; Y53-C60 HydrophobicContact CE2-CB 3.78Å; Y53-N63 PolarHBondContact OH-OD1 3.29Å
54	D	95.6	Very high	89.6	Confident	38 Å²	38	81.2 Å²	81.2	20%	0.203	41%	0.409	C	S	.	.			trans	-118.7	120.1	169	-180	-12.5	0	0	0	107.5	P51 R56 N57 N63	P51-D54 HydrophobicContact CG-CB 4.09Å; D54-R56 PolarHBondContact O-N 3.44Å; D54-R56 WeakPolarHBondContact OD1-CB 3.49Å; D54-R56 PolarHBondContact OD1-N 2.94Å; D54-R56 IonicContact OD1-NE 3.43Å; D54-R56 IonicContact OD2-NH2 2.73Å; D54-N57 HydrophobicContact CB-CB 3.93Å; D54-N57 PolarHBondContact O-N 3.37Å; D54-N63 PolarHBondContact O-ND2 2.91Å
55	P	95.8	Very high	90.7	Very high	90 Å²	90	73.1 Å²	73.1	58%	0.584	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.6	179.3	27	-36	0	0	0	113.9	Y53 N63	Y53-P55 HydrophobicContact CE1-CB 4.01Å; P55-N63 VanDerWaalsContact C-ND2 3.28Å; P55-N63 WeakPolarHBondContact CA-ND2 3.28Å; P55-N63 PolarHBondContact O-ND2 3.48Å
56	R	95.6	Very high	92	Very high	211 Å²	211	72.3 Å²	72.3	80%	0.796	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-7.3	176.4	-58	174.4	-62	171.6	6.1	113.2	D54 P58	D54-R56 PolarHBondContact O-N 3.44Å; D54-R56 WeakPolarHBondContact OD1-CB 3.49Å; D54-R56 PolarHBondContact OD1-N 2.94Å; D54-R56 IonicContact OD1-NE 3.43Å; D54-R56 IonicContact OD2-NH2 2.73Å; R56-P58 WeakPolarHBondContact O-CD 3.12Å
57	N	96.8	Very high	93.1	Very high	13 Å²	13	72.8 Å²	72.8	7%	0.07	38%	0.379	C	S	.	.			trans	-80.8	115	179.4	-176.3	-21.9	0	0	0	109.9	D54 L59 C60 N63 N167	D54-N57 HydrophobicContact CB-CB 3.93Å; D54-N57 PolarHBondContact O-N 3.37Å; N57-L59 PolarHBondContact O-N 3.14Å; N57-L59 PolarHBondContact OD1-N 3.43Å; N57-C60 PolarHBondContact O-N 3.36Å; N57-C60 VanDerWaalsContact O-N 3.11Å; N57-N63 WeakPolarHBondContact O-CB 3.2Å; N57-N63 PolarHBondContact O-ND2 3.08Å; N57-N167 PolarHBondContact ND2-OD1 3.09Å; N57-N167 PolarHBondContact OD1-ND2 2.85Å; N57-N167 PolarHBondContact OD1-OD1 2.71Å
58	P	97.4	Very high	94.4	Very high	49 Å²	49	68 Å²	68	32%	0.318	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.9	-175	31	-37.9	0	0	0	113.9	R56 R65 N71	R56-P58 WeakPolarHBondContact O-CD 3.12Å; P58-R65 HydrophobicContact CB-CB 4.47Å; P58-N71 PolarHBondContact O-ND2 2.92Å
59	L	97.8	Very high	95.7	Very high	14 Å²	14	66 Å²	66	7%	0.073	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-15.1	175.4	-59.7	-174	0	0	0	113	N57 Y74 F80 V113 N167 H169 H171	N57-L59 PolarHBondContact O-N 3.14Å; N57-L59 PolarHBondContact OD1-N 3.43Å; L59-Y74 PolarHBondContact O-OH 3.2Å; L59-F80 HydrophobicContact CD2-CE1 3.88Å; L59-F80 HydrophobicContact CD2-CZ 3.49Å; L59-F80 VanDerWaalsContact CD2-CZ 3.49Å; L59-V113 HydrophobicContact CD2-CG1 4.14Å; L59-N167 HydrophobicContact CD1-CB 4.14Å; L59-H169 HydrophobicContact CB-CB 3.84Å; L59-H169 HydrophobicContact CD1-CB 3.94Å; L59-H169 HydrophobicContact CG-CB 4.47Å; L59-H171 HydrophobicContact CD1-CB 4.44Å
60	C	98.4	Very high	96.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-70.4	151.3	179.6	-76.4	0	0	0	0	112.3	Y53 N57 N63 N71 S120	Y53-C60 HydrophobicContact CD2-CB 3.78Å; Y53-C60 HydrophobicContact CE2-CB 3.78Å; N57-C60 PolarHBondContact O-N 3.36Å; N57-C60 VanDerWaalsContact O-N 3.11Å; C60-N63 WeakPolarHBondContact CB-ND2 3.45Å; C60-N63 PolarHBondContact O-N 3.07Å; C60-N71 PolarHBondContact O-ND2 3.43Å; C60-S120 PolarHBondContact SG-OG 2.74Å
61	P	98.2	Very high	96.9	Very high	23 Å²	23	60.4 Å²	60.4	15%	0.149	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.8	175.2	-18.9	28.1	0	0	0	112.1	N63 P72 Y74 P118	P61-N63 PolarHBondContact O-N 2.86Å; P61-P72 WeakPolarHBondContact CA-O 3.44Å; P61-Y74 HydrophobicContact CB-CD1 3.97Å; P61-Y74 HydrophobicContact CB-CE1 3.94Å; P61-Y74 HydrophobicContact CG-CD1 3.95Å; P61-Y74 HydrophobicContact CG-CD2 4.31Å; P61-Y74 HydrophobicContact CG-CE1 3.61Å; P61-Y74 HydrophobicContact CG-CE2 4.02Å; P61-Y74 HydrophobicContact CG-CG 4.27Å; P61-P118 HydrophobicContact CG-CB 3.55Å
62	G	97.9	Very high	97.1	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-3.5	178.7	0	0	0	0	0	115.8	V70 N71 P72	G62-V70 WeakPolarHBondContact O-CG1 3.48Å; G62-N71 WeakPolarHBondContact CA-O 3.43Å; G62-N71 PolarHBondContact N-O 2.74Å; G62-N71 VanDerWaalsContact N-O 3.07Å; G62-P72 PolarHBondContact N-O 3.09Å
63	N	98.2	Very high	97.2	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.037	36%	0.359	C	S	.	.			trans	-86.8	152.5	178.3	-72.1	5.7	0	0	0	112.2	Y53 D54 P55 N57 C60 P61 N71	Y53-N63 PolarHBondContact OH-OD1 3.29Å; D54-N63 PolarHBondContact O-ND2 2.91Å; P55-N63 VanDerWaalsContact C-ND2 3.28Å; P55-N63 WeakPolarHBondContact CA-ND2 3.28Å; P55-N63 PolarHBondContact O-ND2 3.48Å; N57-N63 WeakPolarHBondContact O-CB 3.2Å; N57-N63 PolarHBondContact O-ND2 3.08Å; C60-N63 WeakPolarHBondContact CB-ND2 3.45Å; C60-N63 PolarHBondContact O-N 3.07Å; P61-N63 PolarHBondContact O-N 2.86Å; N63-N71 PolarHBondContact O-N 3.22Å
64	T	98	Very high	97.3	Very high	84 Å²	84	56.3 Å²	56.3	52%	0.515	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-82	132.8	174.9	-52.7	0	0	0	0	110.8	E69	T64-E69 CarbonylContact C-O 3.52Å; T64-E69 WeakPolarHBondContact CA-O 3.43Å
65	R	97.4	Very high	97.4	Very high	19 Å²	19	60.9 Å²	60.9	7%	0.072	37%	0.366	C	S	.	.			trans	-86.4	177.8	175.2	-50.4	-159.3	-59.9	-80.9	1.4	112.3	P58 S67 G68 E69 N71 F80 D83	P58-R65 HydrophobicContact CB-CB 4.47Å; R65-S67 PolarHBondContact O-N 3.22Å; R65-G68 PolarHBondContact O-N 2.7Å; R65-E69 IonicContact CZ-OE2 3.75Å; R65-E69 PolarHBondContact N-O 3.22Å; R65-E69 IonicContact NH1-OE2 3.93Å; R65-E69 IonicContact NH2-OE2 3.24Å; R65-E69 PolarHBondContact NH2-OE2 2.71Å; R65-N71 WeakPolarHBondContact CD-OD1 3.42Å; R65-N71 WeakPolarHBondContact CG-OD1 3.32Å; R65-N71 PolarHBondContact NH1-OD1 3.32Å; R65-N71 VanDerWaalsContact NH1-OD1 3.09Å; R65-F80 VanDerWaalsContact NE-CD2 3.29Å; R65-D83 WeakPolarHBondContact CB-OD2 3.2Å; R65-D83 IonicContact CZ-OD1 3.43Å; R65-D83 IonicContact NE-OD1 2.83Å; R65-D83 PolarHBondContact NE-OD1 3.32Å; R65-D83 IonicContact NE-OD2 2.66Å; R65-D83 IonicContact NH2-OD1 2.84Å
66	A	95.5	Very high	97.5	Very high	71 Å²	71	57.1 Å²	57.1	59%	0.587	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.7	179.8	0	0	0	0	0	112.6	G68 D83 F84	A66-G68 PolarHBondContact O-N 2.87Å; A66-D83 HydrophobicContact CB-CB 4.43Å; A66-D83 PolarHBondContact N-OD2 2.86Å; A66-D83 VanDerWaalsContact N-OD2 3.14Å; A66-F84 HydrophobicContact CB-CE2 3.63Å; A66-F84 HydrophobicContact CB-CZ 3.68Å
67	S	95.3	Very high	97.6	Very high	66 Å²	66	48.2 Å²	48.2	46%	0.462	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.1	171.7	48.2	0	0	0	0	114.4	R65 E69 D83	R65-S67 PolarHBondContact O-N 3.22Å; S67-E69 VanDerWaalsContact C-N 3.31Å; S67-D83 VanDerWaalsContact CB-OD1 3.24Å; S67-D83 WeakPolarHBondContact CB-OD1 3.18Å; S67-D83 PolarHBondContact N-OD2 3.3Å; S67-D83 VanDerWaalsContact OG-CG 3.27Å; S67-D83 PolarHBondContact OG-OD1 2.86Å; S67-D83 PolarHBondContact OG-OD2 3.36Å
68	G	96.8	Very high	97.7	Very high	50 Å²	50	49 Å²	49	52%	0.515	31%	0.313	S	S	.	.	S	Bend	trans	87.3	-5.4	-172.8	0	0	0	0	0	114.2	R65 A66	R65-G68 PolarHBondContact O-N 2.7Å; A66-G68 PolarHBondContact O-N 2.87Å
69	E	97.6	Very high	97.8	Very high	115 Å²	115	48.5 Å²	48.5	54%	0.537	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-71.9	146.1	172.7	-68	-168.1	178	0	0	111.9	T64 R65 S67	T64-E69 CarbonylContact C-O 3.52Å; T64-E69 WeakPolarHBondContact CA-O 3.43Å; R65-E69 IonicContact CZ-OE2 3.75Å; R65-E69 PolarHBondContact N-O 3.22Å; R65-E69 IonicContact NH1-OE2 3.93Å; R65-E69 IonicContact NH2-OE2 3.24Å; R65-E69 PolarHBondContact NH2-OE2 2.71Å; S67-E69 VanDerWaalsContact C-N 3.31Å
70	V	98.3	Very high	97.8	Very high	92 Å²	92	48.8 Å²	48.8	56%	0.558	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-97.7	126.7	177.3	179.4	0	0	0	0	109.3	G62	G62-V70 WeakPolarHBondContact O-CG1 3.48Å
71	N	98.5	Very high	97.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.7	174.4	-66.7	-21.4	0	0	0	110.4	P58 C60 G62 N63 R65 F78	P58-N71 PolarHBondContact O-ND2 2.92Å; C60-N71 PolarHBondContact O-ND2 3.43Å; G62-N71 WeakPolarHBondContact CA-O 3.43Å; G62-N71 PolarHBondContact N-O 2.74Å; G62-N71 VanDerWaalsContact N-O 3.07Å; N63-N71 PolarHBondContact O-N 3.22Å; R65-N71 WeakPolarHBondContact CD-OD1 3.42Å; R65-N71 WeakPolarHBondContact CG-OD1 3.32Å; R65-N71 PolarHBondContact NH1-OD1 3.32Å; R65-N71 VanDerWaalsContact NH1-OD1 3.09Å; N71-F78 HydrophobicContact CB-CE1 4.06Å; N71-F78 WeakPolarHBondContact OD1-CE1 3.33Å
72	P	98.2	Very high	97.8	Very high	67 Å²	67	55.6 Å²	55.6	44%	0.435	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.6	161.3	171.5	28.4	-34.1	0	0	0	110.4	P61 G62 Y74 F78	P61-P72 WeakPolarHBondContact CA-O 3.44Å; G62-P72 PolarHBondContact N-O 3.09Å; P72-Y74 WeakPolarHBondContact O-CD1 3.45Å; P72-Y74 PolarHBondContact O-N 3.29Å; P72-F78 VanDerWaalsContact CD-CE2 3.42Å; P72-F78 VanDerWaalsContact CD-CZ 3.41Å; P72-F78 HydrophobicContact CG-CD2 3.72Å; P72-F78 HydrophobicContact CG-CE2 3.5Å; P72-F78 HydrophobicContact CG-CG 4.45Å; P72-F78 HydrophobicContact CG-CZ 4.05Å
73	S	97.6	Very high	97.7	Very high	115 Å²	115	56.1 Å²	56.1	80%	0.804	34%	0.336	S	S	*	.			trans	-74.9	69.1	167.2	-64.2	0	0	0	0	109.9
74	Y	98.3	Very high	97.6	Very high	21 Å²	21	63.3 Å²	63.3	8%	0.082	37%	0.367	C	S	.	.			trans	-75.6	147.8	-178.1	67.9	-95.7	0	0	0	111.5	L59 P61 P72 S76 F78 C115 P118 H169	L59-Y74 PolarHBondContact O-OH 3.2Å; P61-Y74 HydrophobicContact CB-CD1 3.97Å; P61-Y74 HydrophobicContact CB-CE1 3.94Å; P61-Y74 HydrophobicContact CG-CD1 3.95Å; P61-Y74 HydrophobicContact CG-CD2 4.31Å; P61-Y74 HydrophobicContact CG-CE1 3.61Å; P61-Y74 HydrophobicContact CG-CE2 4.02Å; P61-Y74 HydrophobicContact CG-CG 4.27Å; P72-Y74 WeakPolarHBondContact O-CD1 3.45Å; P72-Y74 PolarHBondContact O-N 3.29Å; Y74-S76 WeakPolarHBondContact CD2-O 3.43Å; Y74-S76 WeakPolarHBondContact CE2-O 3.27Å; Y74-F78 HydrophobicContact CD1-CB 3.55Å; Y74-F78 AromaticContact CD1-CD1 3.81Å; Y74-F78 HydrophobicContact CD1-CD1 3.81Å; Y74-F78 HydrophobicContact CD1-CD2 4.46Å; Y74-F78 AromaticContact CD1-CG 3.68Å; Y74-F78 HydrophobicContact CD1-CG 3.68Å; Y74-F78 HydrophobicContact CD2-CB 3.75Å; Y74-F78 HydrophobicContact CE1-CB 3.85Å; Y74-F78 AromaticContact CE1-CD1 3.73Å; Y74-F78 HydrophobicContact CE1-CD1 3.73Å; Y74-F78 HydrophobicContact CE1-CG 4.01Å; Y74-F78 HydrophobicContact CE2-CB 4.02Å; Y74-F78 HydrophobicContact CG-CB 3.52Å; Y74-F78 HydrophobicContact CG-CG 4.1Å; Y74-C115 HydrophobicContact CE2-CB 4.35Å; Y74-P118 HydrophobicContact CD2-CB 4.11Å; Y74-P118 VanDerWaalsContact CE2-CA 3.43Å; Y74-P118 HydrophobicContact CE2-CB 3.8Å; Y74-H169 PolarHBondContact OH-CE1 2.98Å; Y74-H169 VanDerWaalsContact OH-CE1 3.31Å; Y74-H169 PolarHBondContact OH-NE2 3.38Å
75	D	97	Very high	97.5	Very high	134 Å²	134	61.7 Å²	61.7	72%	0.717	36%	0.358	S	S	*	.	S	Bend	trans	-110.5	-6.7	-176	67	-13.8	0	0	0	113.4
76	S	98.3	Very high	97.5	Very high	12 Å²	12	63.9 Å²	63.9	8%	0.084	38%	0.38	C	S	.	.	S	Bend	trans	-146.2	-123.8	-179.4	-172.7	0	0	0	0	111.3	Y74 K134	Y74-S76 WeakPolarHBondContact CD2-O 3.43Å; Y74-S76 WeakPolarHBondContact CE2-O 3.27Å; S76-K134 WeakPolarHBondContact OG-CD 3.45Å
77	T	98.8	Very high	97.5	Very high	24 Å²	24	61.7 Å²	61.7	15%	0.147	36%	0.358	C	S	.	.			trans	-76.6	144.6	177.7	58.2	0	0	0	0	110.7	C115 V135 K138	T77-C115 WeakPolarHBondContact CA-O 3.41Å; T77-C115 WeakPolarHBondContact CB-O 3.44Å; T77-V135 HydrophobicContact CG2-CG2 3.9Å; T77-K138 HydrophobicContact CG2-CB 4.37Å; T77-K138 VanDerWaalsContact OG1-CE 3.28Å; T77-K138 WeakPolarHBondContact OG1-CE 3.43Å
78	F	98.8	Very high	97.5	Very high	28 Å²	28	63.9 Å²	63.9	12%	0.123	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.2	175.9	171.6	-122.7	0	0	0	109.9	N71 P72 Y74 F80 M114 C115	N71-F78 HydrophobicContact CB-CE1 4.06Å; N71-F78 WeakPolarHBondContact OD1-CE1 3.33Å; P72-F78 VanDerWaalsContact CD-CE2 3.42Å; P72-F78 VanDerWaalsContact CD-CZ 3.41Å; P72-F78 HydrophobicContact CG-CD2 3.72Å; P72-F78 HydrophobicContact CG-CE2 3.5Å; P72-F78 HydrophobicContact CG-CG 4.45Å; P72-F78 HydrophobicContact CG-CZ 4.05Å; Y74-F78 HydrophobicContact CD1-CB 3.55Å; Y74-F78 AromaticContact CD1-CD1 3.81Å; Y74-F78 HydrophobicContact CD1-CD1 3.81Å; Y74-F78 HydrophobicContact CD1-CD2 4.46Å; Y74-F78 AromaticContact CD1-CG 3.68Å; Y74-F78 HydrophobicContact CD1-CG 3.68Å; Y74-F78 HydrophobicContact CD2-CB 3.75Å; Y74-F78 HydrophobicContact CE1-CB 3.85Å; Y74-F78 AromaticContact CE1-CD1 3.73Å; Y74-F78 HydrophobicContact CE1-CD1 3.73Å; Y74-F78 HydrophobicContact CE1-CG 4.01Å; Y74-F78 HydrophobicContact CE2-CB 4.02Å; Y74-F78 HydrophobicContact CG-CB 3.52Å; Y74-F78 HydrophobicContact CG-CG 4.1Å; F78-F80 AromaticContact CD1-CD1 3.77Å; F78-F80 HydrophobicContact CD1-CD1 3.77Å; F78-F80 HydrophobicContact CD1-CE1 4.24Å; F78-F80 HydrophobicContact CE1-CB 4.19Å; F78-F80 AromaticContact CE1-CD1 3.32Å; F78-F80 HydrophobicContact CE1-CD1 3.32Å; F78-F80 AromaticContact CE1-CE1 3.97Å; F78-F80 HydrophobicContact CE1-CE1 3.97Å; F78-F80 AromaticContact CE1-CG 3.97Å; F78-F80 HydrophobicContact CE1-CG 3.97Å; F78-F80 HydrophobicContact CE2-CB 4.43Å; F78-F80 HydrophobicContact CZ-CB 3.81Å; F78-F80 AromaticContact CZ-CD1 3.87Å; F78-F80 HydrophobicContact CZ-CD1 3.87Å; F78-F80 HydrophobicContact CZ-CG 4.11Å; F78-M114 CarbonylContact O-C 3.57Å; F78-M114 VanDerWaalsContact O-CA 3.32Å; F78-M114 WeakPolarHBondContact O-CA 3.17Å; F78-C115 HydrophobicContact CB-CB 4.38Å; F78-C115 PolarHBondContact N-O 3.16Å; F78-C115 VanDerWaalsContact N-O 3.15Å; F78-C115 PolarHBondContact O-N 3.41Å
79	V	98.7	Very high	97.4	Very high	39 Å²	39	65 Å²	65	24%	0.236	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.8	-177.4	-174.7	0	0	0	0	109	K112 V113 M114 K138 I142	V79-K112 HydrophobicContact CG1-CB 4.1Å; V79-K112 HydrophobicContact CG1-CD 3.74Å; V79-K112 HydrophobicContact CG1-CG 4.45Å; V79-V113 WeakPolarHBondContact CA-O 3.3Å; V79-M114 HydrophobicContact CG2-CB 4.04Å; V79-M114 HydrophobicContact CG2-CG 3.71Å; V79-M114 HydrophobicContact CG2-SD 4.19Å; V79-K138 HydrophobicContact CG2-CD 3.79Å; V79-K138 HydrophobicContact CG2-CG 3.66Å; V79-I142 HydrophobicContact CG1-CD1 4.17Å; V79-I142 HydrophobicContact CG2-CD1 3.83Å; V79-I142 HydrophobicContact CG2-CG1 4.45Å
80	F	98.5	Very high	97.2	Very high	21 Å²	21	65.6 Å²	65.6	9%	0.092	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.9	174	62.8	-80.6	0	0	0	110.4	L59 R65 F78 K112 V113	L59-F80 HydrophobicContact CD2-CE1 3.88Å; L59-F80 HydrophobicContact CD2-CZ 3.49Å; L59-F80 VanDerWaalsContact CD2-CZ 3.49Å; R65-F80 VanDerWaalsContact NE-CD2 3.29Å; F78-F80 AromaticContact CD1-CD1 3.77Å; F78-F80 HydrophobicContact CD1-CD1 3.77Å; F78-F80 HydrophobicContact CD1-CE1 4.24Å; F78-F80 HydrophobicContact CE1-CB 4.19Å; F78-F80 AromaticContact CE1-CD1 3.32Å; F78-F80 HydrophobicContact CE1-CD1 3.32Å; F78-F80 AromaticContact CE1-CE1 3.97Å; F78-F80 HydrophobicContact CE1-CE1 3.97Å; F78-F80 AromaticContact CE1-CG 3.97Å; F78-F80 HydrophobicContact CE1-CG 3.97Å; F78-F80 HydrophobicContact CE2-CB 4.43Å; F78-F80 HydrophobicContact CZ-CB 3.81Å; F78-F80 AromaticContact CZ-CD1 3.87Å; F78-F80 HydrophobicContact CZ-CD1 3.87Å; F78-F80 HydrophobicContact CZ-CG 4.11Å; F80-K112 CarbonylContact O-C 3.6Å; F80-K112 VanDerWaalsContact O-CA 3.27Å; F80-K112 WeakPolarHBondContact O-CA 3.46Å; F80-V113 HydrophobicContact CD1-CB 4.32Å; F80-V113 HydrophobicContact CE1-CB 3.71Å; F80-V113 HydrophobicContact CE1-CG1 3.69Å; F80-V113 HydrophobicContact CE2-CB 4Å; F80-V113 HydrophobicContact CE2-CG2 4.28Å; F80-V113 HydrophobicContact CZ-CB 3.52Å; F80-V113 HydrophobicContact CZ-CG1 3.64Å; F80-V113 HydrophobicContact CZ-CG2 4.09Å; F80-V113 PolarHBondContact N-O 3.09Å; F80-V113 PolarHBondContact O-N 3.07Å
81	E	97.8	Very high	97	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.2	172.8	-64.8	-168.4	168.3	0	0	110.3	D83	E81-D83 PolarHBondContact O-N 3.46Å
82	N	97.5	Very high	96.8	Very high	32 Å²	32	67.7 Å²	67.7	17%	0.171	39%	0.386	C	S	.	.			trans	-65	125	179.9	-168.4	-36.1	0	0	0	109.5	F84 P85 C111 V113	N82-F84 PolarHBondContact O-N 3.14Å; N82-F84 VanDerWaalsContact O-N 3.07Å; N82-F84 PolarHBondContact OD1-N 3.49Å; N82-F84 PolarHBondContact OD1-O 2.88Å; N82-P85 VanDerWaalsContact O-CD 3.27Å; N82-P85 WeakPolarHBondContact O-CD 3.11Å; N82-C111 HydrophobicContact CB-CB 3.96Å; N82-C111 WeakPolarHBondContact CB-O 3.37Å; N82-C111 PolarHBondContact N-O 3.22Å; N82-V113 HydrophobicContact CB-CG2 4.07Å
83	D	96.7	Very high	96.5	Very high	44 Å²	44	69.3 Å²	69.3	24%	0.235	39%	0.391	C	S	.	.	S	Bend	trans	-59.8	-20	178.5	-64.1	-23.3	0	0	0	112.6	R65 A66 S67 E81	R65-D83 WeakPolarHBondContact CB-OD2 3.2Å; R65-D83 IonicContact CZ-OD1 3.43Å; R65-D83 IonicContact NE-OD1 2.83Å; R65-D83 PolarHBondContact NE-OD1 3.32Å; R65-D83 IonicContact NE-OD2 2.66Å; R65-D83 IonicContact NH2-OD1 2.84Å; A66-D83 HydrophobicContact CB-CB 4.43Å; A66-D83 PolarHBondContact N-OD2 2.86Å; A66-D83 VanDerWaalsContact N-OD2 3.14Å; S67-D83 VanDerWaalsContact CB-OD1 3.24Å; S67-D83 WeakPolarHBondContact CB-OD1 3.18Å; S67-D83 PolarHBondContact N-OD2 3.3Å; S67-D83 VanDerWaalsContact OG-CG 3.27Å; S67-D83 PolarHBondContact OG-OD1 2.86Å; S67-D83 PolarHBondContact OG-OD2 3.36Å; E81-D83 PolarHBondContact O-N 3.46Å
84	F	95.4	Very high	96.4	Very high	159 Å²	159	67.2 Å²	67.2	70%	0.697	37%	0.374	S	S	*	.	S	Bend	trans	-128.2	70.6	176.9	-53.8	-77.8	0	0	0	110.6	A66 N82	A66-F84 HydrophobicContact CB-CE2 3.63Å; A66-F84 HydrophobicContact CB-CZ 3.68Å; N82-F84 PolarHBondContact O-N 3.14Å; N82-F84 VanDerWaalsContact O-N 3.07Å; N82-F84 PolarHBondContact OD1-N 3.49Å; N82-F84 PolarHBondContact OD1-O 2.88Å
85	P	96.6	Very high	96.1	Very high	50 Å²	50	68.1 Å²	68.1	33%	0.325	39%	0.39	S	S	.	.			trans	-75.7	138.4	-169.6	32.7	-34.4	0	0	0	111.5	N82 L87 Q88 C111	N82-P85 VanDerWaalsContact O-CD 3.27Å; N82-P85 WeakPolarHBondContact O-CD 3.11Å; P85-L87 VanDerWaalsContact C-N 3.29Å; P85-Q88 HydrophobicContact CG-CG 4.26Å; P85-C111 HydrophobicContact CB-CB 3.9Å
86	A	96.8	Very high	95.8	Very high	64 Å²	64	66.9 Å²	66.9	53%	0.529	39%	0.392	S	S	.	.	S	Bend	trans	-76.6	-18.4	174.3	0	0	0	0	0	112.9	C111 W175	A86-C111 PolarHBondContact N-SG 3.19Å; A86-C111 VanDerWaalsContact N-SG 3.4Å; A86-W175 HydrophobicContact CB-CE3 4.47Å; A86-W175 HydrophobicContact CB-CH2 3.9Å; A86-W175 HydrophobicContact CB-CZ2 4.06Å; A86-W175 HydrophobicContact CB-CZ3 4.12Å
87	L	96.8	Very high	95.4	Very high	25 Å²	25	69.6 Å²	69.6	13%	0.131	41%	0.405	C	S	.	.			trans	-132.2	138.2	178.1	-65.8	169.4	0	0	0	109.4	P85 A107 G109 C111 F179	P85-L87 VanDerWaalsContact C-N 3.29Å; L87-A107 HydrophobicContact CD2-CB 4.22Å; L87-G109 CarbonylContact C-O 3.47Å; L87-C111 PolarHBondContact N-SG 2.9Å; L87-F179 HydrophobicContact CD2-CE1 4.33Å
88	Q	94.6	Very high	94.9	Very high	113 Å²	113	77.5 Å²	77.5	53%	0.528	44%	0.441	S	S	.	.			trans	-119.6	143.5	174	-66.8	178	-31.1	0	0	109.3	P85 D90 R108 G109	P85-Q88 HydrophobicContact CG-CG 4.26Å; Q88-D90 VanDerWaalsContact C-N 3.28Å; Q88-D90 PolarHBondContact O-N 2.92Å; Q88-R108 VanDerWaalsContact O-CA 3.32Å; Q88-R108 WeakPolarHBondContact O-CA 3.36Å; Q88-G109 CarbonylContact C-O 3.51Å; Q88-G109 WeakPolarHBondContact CA-O 3.27Å; Q88-G109 PolarHBondContact O-N 3.1Å; Q88-G109 VanDerWaalsContact O-N 3.16Å
89	S	94.3	Very high	94.7	Very high	73 Å²	73	80.5 Å²	80.5	51%	0.51	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-26.1	-174.2	50.1	0	0	0	0	113	G109	S89-G109 WeakPolarHBondContact CA-O 3.26Å; S89-G109 PolarHBondContact N-O 2.88Å
90	D	93.6	Very high	94.6	Very high	127 Å²	127	83.5 Å²	83.5	68%	0.679	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	10	-173.5	64.6	-26.2	0	0	0	113.5	Q88	Q88-D90 VanDerWaalsContact C-N 3.28Å; Q88-D90 PolarHBondContact O-N 2.92Å
91	A	93.8	Very high	94.5	Very high	23 Å²	23	89.1 Å²	89.1	19%	0.19	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-53.8	132.1	178	0	0	0	0	0	111.3	R108	A91-R108 HydrophobicContact CB-CG 4.26Å; A91-R108 PolarHBondContact O-NE 2.6Å
92	P	94.3	Very high	94.4	Very high	117 Å²	117	90.1 Å²	90.1	76%	0.76	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-65.9	155.6	-174.6	26.7	-34.5	0	0	0	111.8
93	D	93.8	Very high	94.3	Very high	100 Å²	100	94 Å²	94	54%	0.535	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-71.3	131.2	173	-152.6	-71.8	0	0	0	110.4	G95 R108	D93-G95 PolarHBondContact O-N 3.05Å; D93-G95 PolarHBondContact OD1-N 3.22Å; D93-R108 IonicContact OD2-NH1 3.45Å; D93-R108 IonicContact OD2-NH2 3.54Å; D93-R108 PolarHBondContact OD2-NH2 3.12Å
94	P	94	Very high	94.2	Very high	71 Å²	71	95.4 Å²	95.4	46%	0.461	54%	0.538	S	S	.	.			trans	-69.5	-8.6	177.4	29	-35	0	0	0	113.5
95	G	92.1	Very high	94.1	Very high	40 Å²	40	95.9 Å²	95.9	41%	0.412	54%	0.54	S	S	.	.			trans	86.2	-173.7	-179.5	0	0	0	0	0	113	D93	D93-G95 PolarHBondContact O-N 3.05Å; D93-G95 PolarHBondContact OD1-N 3.22Å
96	S	90.1	Very high	94.1	Very high	108 Å²	108	94.7 Å²	94.7	76%	0.755	53%	0.534	S	S	*	.			trans	-76.2	137.8	-177.5	58.9	0	0	0	0	112.5
97	D	91.7	Very high	94.1	Very high	69 Å²	69	93.8 Å²	93.8	37%	0.369	53%	0.527	S	S	.	.			trans	-61.8	134.4	172.3	-59.8	-34.2	0	0	0	111.6	Q103 S104	D97-Q103 HydrophobicContact CB-CG 4.25Å; D97-Q103 VanDerWaalsContact CG-CA 3.5Å; D97-Q103 VanDerWaalsContact OD1-CA 3.22Å; D97-Q103 WeakPolarHBondContact OD1-CA 3.44Å; D97-Q103 WeakPolarHBondContact OD2-CB 3.42Å; D97-Q103 WeakPolarHBondContact OD2-CG 3.33Å; D97-S104 PolarHBondContact OD1-N 3.47Å
98	Q	87.2	Confident	94.2	Very high	191 Å²	191	96.3 Å²	96.3	89%	0.893	53%	0.534	S	S	*	.	S	Bend	trans	-94.8	-13.4	177.1	-61.2	-172.1	6.9	0	0	112.9
99	H	95.6	Very high	94.3	Very high	90 Å²	90	90.9 Å²	90.9	42%	0.417	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-153.7	141.1	-175.4	-165.7	-87.4	0	0	0	112.4	L101 F102	H99-L101 WeakPolarHBondContact ND1-CB 3.41Å; H99-L101 PolarHBondContact ND1-N 3.33Å; H99-L101 VanDerWaalsContact ND1-N 3.14Å; H99-L101 PolarHBondContact O-N 3.11Å; H99-F102 HydrophobicContact CB-CB 4.46Å; H99-F102 HydrophobicContact CB-CD2 3.95Å; H99-F102 AromaticContact ND1-CD2 3.87Å; H99-F102 CarbonylContact O-C 3.53Å; H99-F102 PolarHBondContact O-N 3.43Å
100	P	95.3	Very high	94.5	Very high	102 Å²	102	88.5 Å²	88.5	66%	0.662	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.8	179.9	-27.7	35.4	0	0	0	116.4	Q103	P100-Q103 PolarHBondContact O-NE2 3.12Å
101	L	96.5	Very high	94.8	Very high	139 Å²	139	82.6 Å²	82.6	73%	0.728	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-14.3	178.8	-61.5	176.1	0	0	0	113.7	H99	H99-L101 WeakPolarHBondContact ND1-CB 3.41Å; H99-L101 PolarHBondContact ND1-N 3.33Å; H99-L101 VanDerWaalsContact ND1-N 3.14Å; H99-L101 PolarHBondContact O-N 3.11Å
102	F	95.8	Very high	95	Very high	155 Å²	155	82.5 Å²	82.5	68%	0.68	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-127.6	75.5	-173.7	-58.5	-71.2	0	0	0	108.2	H99	H99-F102 HydrophobicContact CB-CB 4.46Å; H99-F102 HydrophobicContact CB-CD2 3.95Å; H99-F102 AromaticContact ND1-CD2 3.87Å; H99-F102 CarbonylContact O-C 3.53Å; H99-F102 PolarHBondContact O-N 3.43Å
103	Q	94.9	Very high	95.2	Very high	115 Å²	115	77.4 Å²	77.4	54%	0.537	42%	0.422	S	S	.	.			trans	-105.6	133.5	-177.3	-61.4	-177.1	33.7	0	0	110.8	D97 P100	D97-Q103 HydrophobicContact CB-CG 4.25Å; D97-Q103 VanDerWaalsContact CG-CA 3.5Å; D97-Q103 VanDerWaalsContact OD1-CA 3.22Å; D97-Q103 WeakPolarHBondContact OD1-CA 3.44Å; D97-Q103 WeakPolarHBondContact OD2-CB 3.42Å; D97-Q103 WeakPolarHBondContact OD2-CG 3.33Å; P100-Q103 PolarHBondContact O-NE2 3.12Å
104	S	95.3	Very high	95.5	Very high	72 Å²	72	72.7 Å²	72.7	50%	0.503	40%	0.397	S	S	.	.			trans	-128.1	139.9	174.6	-65.7	0	0	0	0	109.5	D97	D97-S104 PolarHBondContact OD1-N 3.47Å
105	K	94.3	Very high	95.7	Very high	170 Å²	170	69.3 Å²	69.3	74%	0.739	38%	0.375	S	S	*	.			trans	-129.2	149.3	178.8	-66.3	-175	179.7	-179.4	0	110.2	A107	K105-A107 PolarHBondContact O-N 2.85Å
106	A	95.6	Very high	96	Very high	24 Å²	24	67.4 Å²	67.4	20%	0.198	36%	0.355	C	S	.	.			trans	-59.8	133.3	175.7	0	0	0	0	0	111.1
107	A	97.2	Very high	96.4	Very high	45 Å²	45	62.8 Å²	62.8	37%	0.372	32%	0.322	S	S	.	.			trans	-123.8	97.6	174.8	0	0	0	0	0	108.4	L87 K105 F179	L87-A107 HydrophobicContact CD2-CB 4.22Å; K105-A107 PolarHBondContact O-N 2.85Å; A107-F179 HydrophobicContact CB-CD1 4.33Å; A107-F179 HydrophobicContact CB-CE1 3.74Å
108	R	98.1	Very high	96.7	Very high	78 Å²	78	60.2 Å²	60.2	29%	0.294	31%	0.309	S	S	.	.			trans	-114.5	152.3	178.2	-61.1	175.5	-171.8	111.6	7.1	109.4	Q88 A91 D93 S178	Q88-R108 VanDerWaalsContact O-CA 3.32Å; Q88-R108 WeakPolarHBondContact O-CA 3.36Å; A91-R108 HydrophobicContact CB-CG 4.26Å; A91-R108 PolarHBondContact O-NE 2.6Å; D93-R108 IonicContact OD2-NH1 3.45Å; D93-R108 IonicContact OD2-NH2 3.54Å; D93-R108 PolarHBondContact OD2-NH2 3.12Å; R108-S178 PolarHBondContact N-OG 2.92Å; R108-S178 VanDerWaalsContact N-OG 3.1Å; R108-S178 WeakPolarHBondContact O-CB 3.22Å; R108-S178 PolarHBondContact O-N 2.77Å; R108-S178 PolarHBondContact O-OG 3.42Å
109	G	98.1	Very high	97.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.2	-173.6	-176.9	0	0	0	0	0	114.4	L87 Q88 S89 A176	L87-G109 CarbonylContact C-O 3.47Å; Q88-G109 CarbonylContact C-O 3.51Å; Q88-G109 WeakPolarHBondContact CA-O 3.27Å; Q88-G109 PolarHBondContact O-N 3.1Å; Q88-G109 VanDerWaalsContact O-N 3.16Å; S89-G109 WeakPolarHBondContact CA-O 3.26Å; S89-G109 PolarHBondContact N-O 2.88Å; G109-A176 CarbonylContact C-O 3.51Å; G109-A176 WeakPolarHBondContact CA-O 3.26Å
110	V	98.4	Very high	97.3	Very high	22 Å²	22	52.1 Å²	52.1	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146	171.9	-62.9	0	0	0	0	110.2	L146 Y150 W175 A176	V110-L146 HydrophobicContact CG2-CD1 3.93Å; V110-L146 HydrophobicContact CG2-CD2 3.69Å; V110-L146 HydrophobicContact CG2-CG 4.43Å; V110-Y150 HydrophobicContact CG1-CE2 4.26Å; V110-Y150 HydrophobicContact CG2-CE2 3.91Å; V110-W175 WeakPolarHBondContact O-CA 3.28Å; V110-A176 HydrophobicContact CG2-CB 3.92Å; V110-A176 PolarHBondContact N-O 3.33Å; V110-A176 PolarHBondContact O-N 2.77Å
111	C	98.6	Very high	97.3	Very high	3 Å²	3	50 Å²	50	2%	0.02	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.2	173.5	-65.4	0	0	0	0	108.8	N82 P85 A86 L87 V174 W175	N82-C111 HydrophobicContact CB-CB 3.96Å; N82-C111 WeakPolarHBondContact CB-O 3.37Å; N82-C111 PolarHBondContact N-O 3.22Å; P85-C111 HydrophobicContact CB-CB 3.9Å; A86-C111 PolarHBondContact N-SG 3.19Å; A86-C111 VanDerWaalsContact N-SG 3.4Å; L87-C111 PolarHBondContact N-SG 2.9Å; C111-V174 CarbonylContact C-O 3.59Å; C111-V174 WeakPolarHBondContact CA-O 3.38Å; C111-W175 HydrophobicContact CB-CG 4.49Å; C111-W175 VanDerWaalsContact SG-CD1 3.57Å
112	K	98.7	Very high	97.2	Very high	21 Å²	21	44.2 Å²	44.2	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	149.4	173.7	-60.6	-168.9	178.6	-169	0	110.7	V79 F80 E145 L146 Q173 V174	V79-K112 HydrophobicContact CG1-CB 4.1Å; V79-K112 HydrophobicContact CG1-CD 3.74Å; V79-K112 HydrophobicContact CG1-CG 4.45Å; F80-K112 CarbonylContact O-C 3.6Å; F80-K112 VanDerWaalsContact O-CA 3.27Å; F80-K112 WeakPolarHBondContact O-CA 3.46Å; K112-E145 IonicContact NZ-OE1 3.47Å; K112-E145 PolarHBondContact NZ-OE1 3.32Å; K112-E145 IonicContact NZ-OE2 3.21Å; K112-E145 PolarHBondContact NZ-OE2 2.97Å; K112-L146 HydrophobicContact CD-CD1 4.39Å; K112-Q173 WeakPolarHBondContact O-CA 3.19Å; K112-V174 HydrophobicContact CB-CB 4.47Å; K112-V174 PolarHBondContact N-O 2.9Å; K112-V174 PolarHBondContact O-N 3.37Å
113	V	98.6	Very high	97.2	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.2	165.4	177.1	0	0	0	0	107.8	L59 V79 F80 N82 H171 Q173	L59-V113 HydrophobicContact CD2-CG1 4.14Å; V79-V113 WeakPolarHBondContact CA-O 3.3Å; F80-V113 HydrophobicContact CD1-CB 4.32Å; F80-V113 HydrophobicContact CE1-CB 3.71Å; F80-V113 HydrophobicContact CE1-CG1 3.69Å; F80-V113 HydrophobicContact CE2-CB 4Å; F80-V113 HydrophobicContact CE2-CG2 4.28Å; F80-V113 HydrophobicContact CZ-CB 3.52Å; F80-V113 HydrophobicContact CZ-CG1 3.64Å; F80-V113 HydrophobicContact CZ-CG2 4.09Å; F80-V113 PolarHBondContact N-O 3.09Å; F80-V113 PolarHBondContact O-N 3.07Å; N82-V113 HydrophobicContact CB-CG2 4.07Å; V113-H171 HydrophobicContact CG1-CB 4.4Å; V113-Q173 HydrophobicContact CG2-CG 4.48Å
114	M	98.7	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.3	177.3	178.7	-179.2	105.7	0	0	110.5	F78 V79 F116 V135 K138 W139 I142 H171 C172	F78-M114 CarbonylContact O-C 3.57Å; F78-M114 VanDerWaalsContact O-CA 3.32Å; F78-M114 WeakPolarHBondContact O-CA 3.17Å; V79-M114 HydrophobicContact CG2-CB 4.04Å; V79-M114 HydrophobicContact CG2-CG 3.71Å; V79-M114 HydrophobicContact CG2-SD 4.19Å; M114-F116 HydrophobicContact CE-CD1 3.71Å; M114-F116 HydrophobicContact CE-CE1 3.69Å; M114-V135 HydrophobicContact CE-CG1 3.72Å; M114-K138 HydrophobicContact CE-CB 4.35Å; M114-K138 HydrophobicContact CG-CG 4.26Å; M114-K138 HydrophobicContact SD-CB 3.73Å; M114-K138 HydrophobicContact SD-CG 3.39Å; M114-K138 WeakPolarHBondContact SD-CG 3.36Å; M114-W139 HydrophobicContact CE-CG 4.32Å; M114-I142 HydrophobicContact CB-CD1 4.49Å; M114-I142 HydrophobicContact CG-CD1 4.49Å; M114-I142 HydrophobicContact SD-CD1 3.61Å; M114-H171 CarbonylContact O-C 3.49Å; M114-H171 WeakPolarHBondContact O-CA 3.28Å; M114-H171 VanDerWaalsContact O-CB 3.27Å; M114-H171 WeakPolarHBondContact O-CB 3.16Å; M114-C172 PolarHBondContact N-O 2.92Å; M114-C172 PolarHBondContact O-N 3.47Å
115	C	98.8	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.4	170.8	-54.1	0	0	0	0	109.4	Y74 T77 F78 P170	Y74-C115 HydrophobicContact CE2-CB 4.35Å; T77-C115 WeakPolarHBondContact CA-O 3.41Å; T77-C115 WeakPolarHBondContact CB-O 3.44Å; F78-C115 HydrophobicContact CB-CB 4.38Å; F78-C115 PolarHBondContact N-O 3.16Å; F78-C115 VanDerWaalsContact N-O 3.15Å; F78-C115 PolarHBondContact O-N 3.41Å; C115-P170 WeakPolarHBondContact CA-O 3.48Å
116	F	98.8	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-84.2	-33.9	-179.7	-61.1	-29.6	0	0	0	112.8	M114 L124 M127 V135 W139 E157 P170 C172	M114-F116 HydrophobicContact CE-CD1 3.71Å; M114-F116 HydrophobicContact CE-CE1 3.69Å; F116-L124 HydrophobicContact CD2-CD1 4.42Å; F116-L124 HydrophobicContact CD2-CD2 4.09Å; F116-L124 HydrophobicContact CD2-CG 4.03Å; F116-L124 HydrophobicContact CE2-CD1 3.87Å; F116-L124 HydrophobicContact CE2-CD2 4.28Å; F116-L124 HydrophobicContact CE2-CG 3.98Å; F116-L124 HydrophobicContact CZ-CD1 4.4Å; F116-M127 HydrophobicContact CB-CE 4.33Å; F116-M127 HydrophobicContact CB-SD 4.24Å; F116-V135 HydrophobicContact CB-CG2 3.83Å; F116-V135 HydrophobicContact CD1-CB 4.5Å; F116-V135 HydrophobicContact CD1-CG1 3.7Å; F116-V135 HydrophobicContact CD1-CG2 3.95Å; F116-V135 HydrophobicContact CE1-CG1 3.78Å; F116-V135 HydrophobicContact CG-CG1 4.42Å; F116-V135 HydrophobicContact CG-CG2 4.09Å; F116-W139 HydrophobicContact CE1-CZ2 4.15Å; F116-W139 HydrophobicContact CZ-CZ2 4.28Å; F116-E157 HydrophobicContact CE2-CG 4.44Å; F116-E157 HydrophobicContact CZ-CB 4.41Å; F116-E157 HydrophobicContact CZ-CG 4.46Å; F116-P170 HydrophobicContact CB-CB 4.2Å; F116-P170 HydrophobicContact CD2-CB 3.92Å; F116-P170 HydrophobicContact CG-CB 4.47Å; F116-P170 PolarHBondContact N-O 3.37Å; F116-C172 HydrophobicContact CE1-CB 3.61Å; F116-C172 HydrophobicContact CZ-CB 3.61Å
117	H	98.7	Very high	97.7	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.056	12%	0.118	C	C	.	.			trans	-156.9	147.2	-170.8	-167	-87	0	0	0	110.4	W119 M127 E131 H169 P170	H117-W119 AromaticContact CE1-CD2 3.44Å; H117-W119 VanDerWaalsContact CE1-CD2 3.44Å; H117-W119 AromaticContact CE1-CE3 3.52Å; H117-W119 AromaticContact CE1-CG 3.55Å; H117-W119 WeakPolarHBondContact ND1-CB 3.23Å; H117-W119 AromaticContact ND1-CD2 3.99Å; H117-W119 AromaticContact ND1-CG 3.65Å; H117-W119 PolarHBondContact ND1-N 3.3Å; H117-W119 VanDerWaalsContact ND1-N 3.14Å; H117-W119 PolarHBondContact O-N 3.49Å; H117-M127 HydrophobicContact CB-CE 4.29Å; H117-E131 IonicContact NE2-OE1 3.3Å; H117-H169 PolarHBondContact O-CE1 3.07Å; H117-H169 VanDerWaalsContact O-CE1 3.31Å; H117-H169 PolarHBondContact O-NE2 2.99Å; H117-P170 HydrophobicContact CB-CG 4.29Å
118	P	98.3	Very high	97.7	Very high	15 Å²	15	27.3 Å²	27.3	10%	0.097	13%	0.128	C	C	.	.	S	Bend	trans	-66.5	-7.7	179.6	26.5	-38.3	0	0	0	115.7	P61 Y74	P61-P118 HydrophobicContact CG-CB 3.55Å; Y74-P118 HydrophobicContact CD2-CB 4.11Å; Y74-P118 VanDerWaalsContact CE2-CA 3.43Å; Y74-P118 HydrophobicContact CE2-CB 3.8Å
119	W	98.1	Very high	97.7	Very high	108 Å²	108	26.7 Å²	26.7	41%	0.409	13%	0.128	S	C	.	.			trans	-109.2	124.1	-174.3	-64.3	-12.2	0	0	0	110.5	R52 H117 D121 V122 P170	R52-W119 HydrophobicContact CG-CB 3.93Å; R52-W119 HydrophobicContact CG-CD2 4.28Å; R52-W119 HydrophobicContact CG-CG 3.7Å; R52-W119 VanDerWaalsContact NH1-CD2 3.34Å; R52-W119 VanDerWaalsContact NH1-CZ2 3.3Å; H117-W119 AromaticContact CE1-CD2 3.44Å; H117-W119 VanDerWaalsContact CE1-CD2 3.44Å; H117-W119 AromaticContact CE1-CE3 3.52Å; H117-W119 AromaticContact CE1-CG 3.55Å; H117-W119 WeakPolarHBondContact ND1-CB 3.23Å; H117-W119 AromaticContact ND1-CD2 3.99Å; H117-W119 AromaticContact ND1-CG 3.65Å; H117-W119 PolarHBondContact ND1-N 3.3Å; H117-W119 VanDerWaalsContact ND1-N 3.14Å; H117-W119 PolarHBondContact O-N 3.49Å; W119-D121 VanDerWaalsContact C-N 3.3Å; W119-D121 WeakPolarHBondContact CB-OD1 3.26Å; W119-D121 PolarHBondContact O-N 2.83Å; W119-V122 HydrophobicContact CB-CG2 4.02Å; W119-V122 HydrophobicContact CE3-CG2 3.98Å; W119-P170 WeakPolarHBondContact O-CD 3.45Å
120	S	96.8	Very high	97.8	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.9	-176.6	-47	0	0	0	0	113.3	I50 P51 R52 C60 V122 H169	I50-S120 WeakPolarHBondContact CG2-O 3.45Å; P51-S120 WeakPolarHBondContact O-CB 3.42Å; R52-S120 PolarHBondContact O-N 3.07Å; R52-S120 PolarHBondContact O-OG 3.14Å; C60-S120 PolarHBondContact SG-OG 2.74Å; S120-V122 VanDerWaalsContact C-N 3.28Å; S120-V122 PolarHBondContact O-N 2.77Å; S120-H169 PolarHBondContact OG-ND1 2.72Å
121	D	94.4	Very high	97.8	Very high	57 Å²	57	32.7 Å²	32.7	31%	0.305	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	8	-179.1	65	-35.7	0	0	0	113.5	I50 R52 W119	I50-D121 WeakPolarHBondContact O-CB 3.47Å; R52-D121 WeakPolarHBondContact CA-OD1 2.93Å; R52-D121 WeakPolarHBondContact CB-OD1 3.47Å; R52-D121 WeakPolarHBondContact CG-OD1 3.37Å; R52-D121 IonicContact CZ-OD1 3.75Å; R52-D121 IonicContact CZ-OD2 3.22Å; R52-D121 IonicContact NE-OD1 3.86Å; R52-D121 PolarHBondContact NE-OD1 2.65Å; R52-D121 VanDerWaalsContact NE-OD1 3.12Å; R52-D121 IonicContact NE-OD2 3.66Å; R52-D121 PolarHBondContact NE-OD2 2.84Å; R52-D121 VanDerWaalsContact NE-OD2 3.07Å; R52-D121 IonicContact NH2-OD1 3.47Å; R52-D121 IonicContact NH2-OD2 2.84Å; R52-D121 PolarHBondContact NH2-OD2 2.89Å; W119-D121 VanDerWaalsContact C-N 3.3Å; W119-D121 WeakPolarHBondContact CB-OD1 3.26Å; W119-D121 PolarHBondContact O-N 2.83Å
122	V	94.8	Very high	97.8	Very high	17 Å²	17	32.6 Å²	32.6	10%	0.103	15%	0.154	C	C	.	.			trans	-117	138.8	-178.8	-175.7	0	0	0	0	110.4	W119 S120 L126 M127 P170	W119-V122 HydrophobicContact CB-CG2 4.02Å; W119-V122 HydrophobicContact CE3-CG2 3.98Å; S120-V122 VanDerWaalsContact C-N 3.28Å; S120-V122 PolarHBondContact O-N 2.77Å; V122-L126 HydrophobicContact CG1-CB 4.18Å; V122-M127 HydrophobicContact CG1-CB 4.43Å; V122-M127 HydrophobicContact CG1-CG 3.48Å; V122-M127 VanDerWaalsContact CG1-CG 3.48Å; V122-P170 WeakPolarHBondContact O-CB 3.4Å; V122-P170 VanDerWaalsContact O-CG 3.26Å; V122-P170 WeakPolarHBondContact O-CG 3.18Å
123	T	96.6	Very high	97.8	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.202	16%	0.157	C	C	.	.			trans	-120	162.6	171.5	59	0	0	0	0	109.6	P125 L126 M127	T123-P125 VanDerWaalsContact C-CD 3.43Å; T123-P125 VanDerWaalsContact O-N 3.16Å; T123-P125 WeakPolarHBondContact OG1-CD 3.43Å; T123-L126 WeakPolarHBondContact O-CA 3.47Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.47Å; T123-M127 PolarHBondContact O-N 2.73Å
124	L	98.1	Very high	97.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-45.6	179.1	-72.9	169.7	0	0	0	115.3	F116 L126 M127 I132 M264 L268	F116-L124 HydrophobicContact CD2-CD1 4.42Å; F116-L124 HydrophobicContact CD2-CD2 4.09Å; F116-L124 HydrophobicContact CD2-CG 4.03Å; F116-L124 HydrophobicContact CE2-CD1 3.87Å; F116-L124 HydrophobicContact CE2-CD2 4.28Å; F116-L124 HydrophobicContact CE2-CG 3.98Å; F116-L124 HydrophobicContact CZ-CD1 4.4Å; L124-L126 PolarHBondContact O-N 3.24Å; L124-M127 HydrophobicContact CD2-SD 3.84Å; L124-M127 HydrophobicContact CG-SD 4.46Å; L124-M127 PolarHBondContact O-N 2.76Å; L124-I132 HydrophobicContact CD2-CG1 4.36Å; L124-I132 WeakPolarHBondContact O-CD1 3.25Å; L124-M264 HydrophobicContact CD1-CE 4.41Å; L124-L268 HydrophobicContact CB-CD1 3.41Å; L124-L268 VanDerWaalsContact CB-CD1 3.41Å; L124-L268 HydrophobicContact CD1-CD1 3.73Å; L124-L268 HydrophobicContact CG-CD1 4.22Å
125	P	97.7	Very high	97.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.013	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.6	177.7	25.1	-34	0	0	0	114.3	T123 K265 L268 D272	T123-P125 VanDerWaalsContact C-CD 3.43Å; T123-P125 VanDerWaalsContact O-N 3.16Å; T123-P125 WeakPolarHBondContact OG1-CD 3.43Å; P125-K265 PolarHBondContact O-NZ 3.32Å; P125-L268 HydrophobicContact CB-CB 3.85Å; P125-L268 HydrophobicContact CG-CB 4.11Å; P125-D272 WeakPolarHBondContact CG-OD2 3.44Å
126	L	96.8	Very high	97.8	Very high	55 Å²	55	37.2 Å²	37.2	29%	0.288	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-16.4	178.5	-61.6	176.4	0	0	0	113.4	V122 T123 L124 H350 K352	V122-L126 HydrophobicContact CG1-CB 4.18Å; T123-L126 WeakPolarHBondContact O-CA 3.47Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.47Å; L124-L126 PolarHBondContact O-N 3.24Å; L126-H350 HydrophobicContact CD2-CB 4.45Å; L126-K352 HydrophobicContact CD1-CD 4.23Å
127	M	98	Very high	97.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.186	C	C	.	.	S	Bend	trans	-64.3	151.7	173.2	-68.5	172.4	66.8	0	0	111.5	F116 H117 V122 T123 L124 E131 I132 V135 K265	F116-M127 HydrophobicContact CB-CE 4.33Å; F116-M127 HydrophobicContact CB-SD 4.24Å; H117-M127 HydrophobicContact CB-CE 4.29Å; V122-M127 HydrophobicContact CG1-CB 4.43Å; V122-M127 HydrophobicContact CG1-CG 3.48Å; V122-M127 VanDerWaalsContact CG1-CG 3.48Å; T123-M127 PolarHBondContact O-N 2.73Å; L124-M127 HydrophobicContact CD2-SD 3.84Å; L124-M127 HydrophobicContact CG-SD 4.46Å; L124-M127 PolarHBondContact O-N 2.76Å; M127-E131 WeakPolarHBondContact CA-OE2 3.39Å; M127-E131 HydrophobicContact CB-CB 4.21Å; M127-E131 HydrophobicContact CE-CB 3.57Å; M127-I132 HydrophobicContact CB-CD1 4.34Å; M127-I132 HydrophobicContact CB-CG1 3.85Å; M127-V135 HydrophobicContact CE-CG2 3.94Å; M127-K265 PolarHBondContact O-NZ 3.43Å
128	K	97.9	Very high	97.8	Very high	134 Å²	134	41.3 Å²	41.3	58%	0.583	19%	0.194	S	C	*	.			trans	-67.5	155.9	167.9	-60.6	178.4	-175.1	168.4	0	109.9	E130 E131 I132	K128-E130 WeakPolarHBondContact CB-OE2 3.35Å; K128-E130 PolarHBondContact O-N 2.83Å; K128-E131 HydrophobicContact CB-CG 4.13Å; K128-E131 PolarHBondContact N-OE2 3.31Å; K128-E131 WeakPolarHBondContact O-CB 3.32Å; K128-E131 PolarHBondContact O-N 3.27Å; K128-E131 VanDerWaalsContact O-N 3.1Å; K128-I132 PolarHBondContact O-N 2.69Å
129	K	98	Very high	97.9	Very high	64 Å²	64	40.6 Å²	40.6	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-42	-179.4	-172.8	-177.5	62.8	156.3	0	110.8	E131 I132 I133 D258 A261 A262	K129-E131 VanDerWaalsContact C-N 3.26Å; K129-E131 PolarHBondContact O-N 3.17Å; K129-I132 PolarHBondContact O-N 2.75Å; K129-I132 VanDerWaalsContact O-N 3.1Å; K129-I133 HydrophobicContact CG-CD1 4.43Å; K129-I133 WeakPolarHBondContact O-CG1 3.33Å; K129-I133 PolarHBondContact O-N 3.03Å; K129-D258 WeakPolarHBondContact CE-OD1 3.4Å; K129-D258 IonicContact NZ-OD1 3.24Å; K129-D258 PolarHBondContact NZ-OD1 2.84Å; K129-D258 IonicContact NZ-OD2 3.6Å; K129-D258 PolarHBondContact NZ-OD2 3.3Å; K129-A261 HydrophobicContact CG-CB 3.86Å; K129-A262 HydrophobicContact CD-CB 4.15Å
130	E	98.4	Very high	97.9	Very high	110 Å²	110	35.6 Å²	35.6	51%	0.514	17%	0.171	S	C	.	.	H	α-helix	trans	-64.8	-30.3	-178.8	-56.9	70	-146.8	0	0	112.2	K128 K134	K128-E130 WeakPolarHBondContact CB-OE2 3.35Å; K128-E130 PolarHBondContact O-N 2.83Å; E130-K134 PolarHBondContact O-N 2.95Å
131	E	98.8	Very high	98	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-73.4	-36.9	175.2	-64.3	160.9	-179.3	0	0	111	H117 M127 K128 K129 K134 V135	H117-E131 IonicContact NE2-OE1 3.3Å; M127-E131 WeakPolarHBondContact CA-OE2 3.39Å; M127-E131 HydrophobicContact CB-CB 4.21Å; M127-E131 HydrophobicContact CE-CB 3.57Å; K128-E131 HydrophobicContact CB-CG 4.13Å; K128-E131 PolarHBondContact N-OE2 3.31Å; K128-E131 WeakPolarHBondContact O-CB 3.32Å; K128-E131 PolarHBondContact O-N 3.27Å; K128-E131 VanDerWaalsContact O-N 3.1Å; K129-E131 VanDerWaalsContact C-N 3.26Å; K129-E131 PolarHBondContact O-N 3.17Å; E131-K134 PolarHBondContact O-N 3.22Å; E131-V135 PolarHBondContact O-N 3.37Å
132	I	98.9	Very high	98.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-69	-35.8	175.3	-58.4	168.6	0	0	0	110.8	L124 M127 K128 K129 K134 V135 I136 A261 M264 K265	L124-I132 HydrophobicContact CD2-CG1 4.36Å; L124-I132 WeakPolarHBondContact O-CD1 3.25Å; M127-I132 HydrophobicContact CB-CD1 4.34Å; M127-I132 HydrophobicContact CB-CG1 3.85Å; K128-I132 PolarHBondContact O-N 2.69Å; K129-I132 PolarHBondContact O-N 2.75Å; K129-I132 VanDerWaalsContact O-N 3.1Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 2.91Å; I132-V135 WeakPolarHBondContact O-CB 3.31Å; I132-V135 PolarHBondContact O-N 2.79Å; I132-V135 VanDerWaalsContact O-N 3.07Å; I132-I136 HydrophobicContact CG2-CD1 4.07Å; I132-I136 WeakPolarHBondContact O-CG1 3.39Å; I132-I136 PolarHBondContact O-N 2.99Å; I132-A261 HydrophobicContact CB-CB 3.96Å; I132-A261 HydrophobicContact CG2-CB 3.76Å; I132-M264 HydrophobicContact CG2-CE 4.35Å; I132-K265 HydrophobicContact CD1-CB 3.82Å; I132-K265 HydrophobicContact CD1-CD 4.33Å; I132-K265 HydrophobicContact CD1-CG 4.23Å
133	I	98.8	Very high	98.4	Very high	32 Å²	32	37.4 Å²	37.4	16%	0.164	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-44.6	173.7	-67.3	169.7	0	0	0	110.4	K129 V135 I136 D137 D258 A261	K129-I133 HydrophobicContact CG-CD1 4.43Å; K129-I133 WeakPolarHBondContact O-CG1 3.33Å; K129-I133 PolarHBondContact O-N 3.03Å; I133-V135 PolarHBondContact O-N 2.88Å; I133-I136 WeakPolarHBondContact O-CB 3.32Å; I133-I136 PolarHBondContact O-N 3.36Å; I133-D137 PolarHBondContact O-N 3.44Å; I133-D258 HydrophobicContact CD1-CB 4.26Å; I133-D258 VanDerWaalsContact CD1-OD1 3.32Å; I133-D258 WeakPolarHBondContact CD1-OD1 3.37Å; I133-A261 HydrophobicContact CD1-CB 4.5Å; I133-A261 HydrophobicContact CG1-CB 3.57Å
134	K	98.8	Very high	98.5	Very high	97 Å²	97	41.9 Å²	41.9	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-61.5	-31.2	176.2	-64.9	-178.4	-176.7	-176.1	0	113.5	S76 E130 E131 I132 K138	S76-K134 WeakPolarHBondContact OG-CD 3.45Å; E130-K134 PolarHBondContact O-N 2.95Å; E131-K134 PolarHBondContact O-N 3.22Å; I132-K134 VanDerWaalsContact C-N 3.29Å; I132-K134 PolarHBondContact O-N 2.91Å; K134-K138 WeakPolarHBondContact O-CB 3.05Å; K134-K138 PolarHBondContact O-N 3.43Å; K134-K138 VanDerWaalsContact O-N 3.09Å
135	V	98.9	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-46	172.6	172.7	0	0	0	0	110.5	T77 M114 F116 M127 E131 I132 I133 K138 W139	T77-V135 HydrophobicContact CG2-CG2 3.9Å; M114-V135 HydrophobicContact CE-CG1 3.72Å; F116-V135 HydrophobicContact CB-CG2 3.83Å; F116-V135 HydrophobicContact CD1-CB 4.5Å; F116-V135 HydrophobicContact CD1-CG1 3.7Å; F116-V135 HydrophobicContact CD1-CG2 3.95Å; F116-V135 HydrophobicContact CE1-CG1 3.78Å; F116-V135 HydrophobicContact CG-CG1 4.42Å; F116-V135 HydrophobicContact CG-CG2 4.09Å; M127-V135 HydrophobicContact CE-CG2 3.94Å; E131-V135 PolarHBondContact O-N 3.37Å; I132-V135 WeakPolarHBondContact O-CB 3.31Å; I132-V135 PolarHBondContact O-N 2.79Å; I132-V135 VanDerWaalsContact O-N 3.07Å; I133-V135 PolarHBondContact O-N 2.88Å; V135-K138 PolarHBondContact O-N 3.33Å; V135-W139 HydrophobicContact CG1-CD2 4.14Å; V135-W139 HydrophobicContact CG1-CE3 4.46Å; V135-W139 HydrophobicContact CG1-CH2 3.94Å; V135-W139 HydrophobicContact CG1-CZ2 3.55Å; V135-W139 HydrophobicContact CG1-CZ3 4.37Å; V135-W139 PolarHBondContact O-N 3.35Å
136	I	98.9	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-43.6	178.4	-65.7	159.3	0	0	0	111.2	I132 I133 K138 W139 A140 L252 R257 L260 A261 M264	I132-I136 HydrophobicContact CG2-CD1 4.07Å; I132-I136 WeakPolarHBondContact O-CG1 3.39Å; I132-I136 PolarHBondContact O-N 2.99Å; I133-I136 WeakPolarHBondContact O-CB 3.32Å; I133-I136 PolarHBondContact O-N 3.36Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 3.01Å; I136-W139 HydrophobicContact CB-CE3 4.41Å; I136-W139 HydrophobicContact CG1-CE3 4.02Å; I136-W139 HydrophobicContact CG1-CZ3 3.97Å; I136-W139 WeakPolarHBondContact O-CB 3.4Å; I136-W139 PolarHBondContact O-N 2.7Å; I136-A140 PolarHBondContact O-N 3.48Å; I136-L252 HydrophobicContact CG2-CD1 4.49Å; I136-R257 HydrophobicContact CG2-CB 4.16Å; I136-R257 HydrophobicContact CG2-CG 3.9Å; I136-L260 HydrophobicContact CD1-CB 3.98Å; I136-L260 HydrophobicContact CD1-CD2 3.84Å; I136-L260 HydrophobicContact CD1-CG 3.68Å; I136-L260 HydrophobicContact CG1-CD2 4.01Å; I136-L260 HydrophobicContact CG1-CG 4.33Å; I136-L260 HydrophobicContact CG2-CD2 3.93Å; I136-A261 HydrophobicContact CD1-CB 3.82Å; I136-M264 HydrophobicContact CD1-SD 4.26Å; I136-M264 HydrophobicContact CG1-SD 4.41Å
137	D	98.9	Very high	98.6	Very high	45 Å²	45	45 Å²	45	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-44.7	175.9	-70.5	-28.7	0	0	0	110.7	I133 W139 A140 E141 R257	I133-D137 PolarHBondContact O-N 3.44Å; D137-W139 VanDerWaalsContact C-N 3.32Å; D137-W139 PolarHBondContact O-N 2.83Å; D137-A140 WeakPolarHBondContact O-CB 3.41Å; D137-A140 PolarHBondContact O-N 2.66Å; D137-A140 VanDerWaalsContact O-N 3.15Å; D137-E141 WeakPolarHBondContact O-CG 3.43Å; D137-E141 PolarHBondContact O-N 2.78Å; D137-R257 WeakPolarHBondContact OD1-CD 3.42Å; D137-R257 IonicContact OD1-CZ 3.55Å; D137-R257 IonicContact OD1-NE 3.93Å; D137-R257 IonicContact OD1-NH1 2.67Å; D137-R257 PolarHBondContact OD1-NH1 2.9Å
138	K	98.8	Very high	98.6	Very high	52 Å²	52	50.1 Å²	50.1	23%	0.226	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-35.4	177.6	-163.3	60.9	59.1	-173.7	0	112.5	T77 V79 M114 K134 V135 I136 E141 I142	T77-K138 HydrophobicContact CG2-CB 4.37Å; T77-K138 VanDerWaalsContact OG1-CE 3.28Å; T77-K138 WeakPolarHBondContact OG1-CE 3.43Å; V79-K138 HydrophobicContact CG2-CD 3.79Å; V79-K138 HydrophobicContact CG2-CG 3.66Å; M114-K138 HydrophobicContact CE-CB 4.35Å; M114-K138 HydrophobicContact CG-CG 4.26Å; M114-K138 HydrophobicContact SD-CB 3.73Å; M114-K138 HydrophobicContact SD-CG 3.39Å; M114-K138 WeakPolarHBondContact SD-CG 3.36Å; K134-K138 WeakPolarHBondContact O-CB 3.05Å; K134-K138 PolarHBondContact O-N 3.43Å; K134-K138 VanDerWaalsContact O-N 3.09Å; V135-K138 PolarHBondContact O-N 3.33Å; I136-K138 VanDerWaalsContact C-N 3.31Å; I136-K138 PolarHBondContact O-N 3.01Å; K138-E141 WeakPolarHBondContact CD-OE2 3.47Å; K138-E141 WeakPolarHBondContact CE-OE2 3.05Å; K138-E141 IonicContact NZ-OE1 2.7Å; K138-E141 IonicContact NZ-OE2 3.84Å; K138-E141 PolarHBondContact NZ-OE2 2.97Å; K138-E141 PolarHBondContact O-N 3.15Å; K138-I142 HydrophobicContact CG-CD1 4.08Å; K138-I142 HydrophobicContact CG-CG1 4.48Å; K138-I142 WeakPolarHBondContact O-CD1 3.02Å; K138-I142 WeakPolarHBondContact O-CG1 3.21Å; K138-I142 PolarHBondContact O-N 3.41Å
139	W	98.9	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-44.6	171.4	-71.3	-24.6	0	0	0	112.5	M114 F116 V135 I136 D137 L143 I155 C172 I249 M264 M283 W285	M114-W139 HydrophobicContact CE-CG 4.32Å; F116-W139 HydrophobicContact CE1-CZ2 4.15Å; F116-W139 HydrophobicContact CZ-CZ2 4.28Å; V135-W139 HydrophobicContact CG1-CD2 4.14Å; V135-W139 HydrophobicContact CG1-CE3 4.46Å; V135-W139 HydrophobicContact CG1-CH2 3.94Å; V135-W139 HydrophobicContact CG1-CZ2 3.55Å; V135-W139 HydrophobicContact CG1-CZ3 4.37Å; V135-W139 PolarHBondContact O-N 3.35Å; I136-W139 HydrophobicContact CB-CE3 4.41Å; I136-W139 HydrophobicContact CG1-CE3 4.02Å; I136-W139 HydrophobicContact CG1-CZ3 3.97Å; I136-W139 WeakPolarHBondContact O-CB 3.4Å; I136-W139 PolarHBondContact O-N 2.7Å; D137-W139 VanDerWaalsContact C-N 3.32Å; D137-W139 PolarHBondContact O-N 2.83Å; W139-L143 WeakPolarHBondContact O-CB 3.5Å; W139-L143 PolarHBondContact O-N 2.96Å; W139-I155 HydrophobicContact CB-CD1 3.74Å; W139-I155 VanDerWaalsContact CD1-CG2 3.48Å; W139-I155 HydrophobicContact CD2-CG2 4.27Å; W139-I155 HydrophobicContact CG-CD1 4.07Å; W139-I155 HydrophobicContact CG-CG2 3.97Å; W139-C172 PolarHBondContact NE1-SG 3.02Å; W139-I249 HydrophobicContact CB-CD1 4.08Å; W139-I249 HydrophobicContact CE3-CD1 3.99Å; W139-M264 HydrophobicContact CH2-CE 3.56Å; W139-M264 HydrophobicContact CH2-SD 4.44Å; W139-M264 HydrophobicContact CZ3-CE 3.77Å; W139-M264 HydrophobicContact CZ3-SD 4.06Å; W139-M283 HydrophobicContact CH2-CE 4.47Å; W139-W285 AromaticContact CE3-NE1 3.4Å; W139-W285 AromaticContact CH2-NE1 3.76Å; W139-W285 AromaticContact CZ3-CE2 3.96Å; W139-W285 HydrophobicContact CZ3-CZ2 4.08Å; W139-W285 AromaticContact CZ3-NE1 3.26Å; W139-W285 VanDerWaalsContact CZ3-NE1 3.26Å
140	A	98.8	Very high	98.6	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-44.8	176.6	0	0	0	0	0	112	I136 D137 L143 E144 I249 N250	I136-A140 PolarHBondContact O-N 3.48Å; D137-A140 WeakPolarHBondContact O-CB 3.41Å; D137-A140 PolarHBondContact O-N 2.66Å; D137-A140 VanDerWaalsContact O-N 3.15Å; A140-L143 PolarHBondContact O-N 3.42Å; A140-E144 PolarHBondContact O-N 3.27Å; A140-I249 HydrophobicContact CB-CG2 4.42Å; A140-N250 HydrophobicContact CB-CB 4.12Å
141	E	98.8	Very high	98.6	Very high	93 Å²	93	41.8 Å²	41.8	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-46	177	-71.6	171.2	-156.4	0	0	112.1	D137 K138 L143 E144 E145	D137-E141 WeakPolarHBondContact O-CG 3.43Å; D137-E141 PolarHBondContact O-N 2.78Å; K138-E141 WeakPolarHBondContact CD-OE2 3.47Å; K138-E141 WeakPolarHBondContact CE-OE2 3.05Å; K138-E141 IonicContact NZ-OE1 2.7Å; K138-E141 IonicContact NZ-OE2 3.84Å; K138-E141 PolarHBondContact NZ-OE2 2.97Å; K138-E141 PolarHBondContact O-N 3.15Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.28Å; E141-E144 PolarHBondContact O-N 3.41Å; E141-E145 WeakPolarHBondContact O-CB 3.43Å; E141-E145 PolarHBondContact O-N 3.47Å
142	I	98.8	Very high	98.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-39.1	178.9	-65.2	163.7	0	0	0	110.9	V79 M114 K138 E144 E145 L146 V174	V79-I142 HydrophobicContact CG1-CD1 4.17Å; V79-I142 HydrophobicContact CG2-CD1 3.83Å; V79-I142 HydrophobicContact CG2-CG1 4.45Å; M114-I142 HydrophobicContact CB-CD1 4.49Å; M114-I142 HydrophobicContact CG-CD1 4.49Å; M114-I142 HydrophobicContact SD-CD1 3.61Å; K138-I142 HydrophobicContact CG-CD1 4.08Å; K138-I142 HydrophobicContact CG-CG1 4.48Å; K138-I142 WeakPolarHBondContact O-CD1 3.02Å; K138-I142 WeakPolarHBondContact O-CG1 3.21Å; K138-I142 PolarHBondContact O-N 3.41Å; I142-E144 VanDerWaalsContact C-N 3.34Å; I142-E145 PolarHBondContact O-N 3.43Å; I142-L146 HydrophobicContact CG2-CD1 3.64Å; I142-L146 HydrophobicContact CG2-CG 4.12Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.39Å; I142-V174 HydrophobicContact CD1-CG2 4.08Å; I142-V174 HydrophobicContact CG2-CB 4.13Å; I142-V174 HydrophobicContact CG2-CG1 3.73Å; I142-V174 HydrophobicContact CG2-CG2 4.08Å
143	L	98.8	Very high	98.7	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-43	175.7	-179.9	67.2	0	0	0	111.2	W139 A140 E141 G147 V153 R248 I249 N250 T290	W139-L143 WeakPolarHBondContact O-CB 3.5Å; W139-L143 PolarHBondContact O-N 2.96Å; A140-L143 PolarHBondContact O-N 3.42Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.28Å; L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 2.91Å; L143-V153 HydrophobicContact CD1-CB 3.64Å; L143-V153 HydrophobicContact CD1-CG1 4.12Å; L143-V153 HydrophobicContact CD1-CG2 4.01Å; L143-R248 HydrophobicContact CD2-CB 3.97Å; L143-I249 HydrophobicContact CB-CG2 4.28Å; L143-I249 HydrophobicContact CD2-CG2 3.68Å; L143-N250 WeakPolarHBondContact CD2-OD1 3.45Å; L143-T290 HydrophobicContact CD1-CG2 4.06Å
144	E	98.4	Very high	98.7	Very high	127 Å²	127	40.8 Å²	40.8	59%	0.593	21%	0.206	S	C	*	.	H	α-helix	trans	-64.3	-45.4	177.8	-174.3	169.4	-161.8	0	0	111.4	A140 E141 I142 V148	A140-E144 PolarHBondContact O-N 3.27Å; E141-E144 PolarHBondContact O-N 3.41Å; I142-E144 VanDerWaalsContact C-N 3.34Å; E144-V148 WeakPolarHBondContact O-CG2 3.43Å
145	E	98.5	Very high	98.7	Very high	110 Å²	110	36.4 Å²	36.4	51%	0.514	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-57.5	177.5	-174.4	-158.7	154.4	0	0	111.8	K112 E141 I142	K112-E145 IonicContact NZ-OE1 3.47Å; K112-E145 PolarHBondContact NZ-OE1 3.32Å; K112-E145 IonicContact NZ-OE2 3.21Å; K112-E145 PolarHBondContact NZ-OE2 2.97Å; E141-E145 WeakPolarHBondContact O-CB 3.43Å; E141-E145 PolarHBondContact O-N 3.47Å; I142-E145 PolarHBondContact O-N 3.43Å
146	L	98.6	Very high	98.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-78.9	-27.6	-172.7	-61.2	-177.1	0	0	0	112.3	V110 K112 I142 V148 T149 Y150 V153 V174 A176	V110-L146 HydrophobicContact CG2-CD1 3.93Å; V110-L146 HydrophobicContact CG2-CD2 3.69Å; V110-L146 HydrophobicContact CG2-CG 4.43Å; K112-L146 HydrophobicContact CD-CD1 4.39Å; I142-L146 HydrophobicContact CG2-CD1 3.64Å; I142-L146 HydrophobicContact CG2-CG 4.12Å; I142-L146 WeakPolarHBondContact O-CB 3.42Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.39Å; L146-V148 PolarHBondContact O-N 3.21Å; L146-T149 PolarHBondContact O-N 3.34Å; L146-T149 VanDerWaalsContact O-N 3.12Å; L146-Y150 HydrophobicContact CB-CD2 4.39Å; L146-Y150 PolarHBondContact O-N 2.97Å; L146-V153 HydrophobicContact CB-CG1 4.28Å; L146-V153 HydrophobicContact CB-CG2 3.75Å; L146-V153 HydrophobicContact CD1-CG1 4.28Å; L146-V174 HydrophobicContact CD1-CG1 4.13Å; L146-A176 HydrophobicContact CB-CB 4.06Å; L146-A176 HydrophobicContact CD1-CB 3.87Å; L146-A176 HydrophobicContact CG-CB 4.49Å
147	G	98.4	Very high	98.6	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-13.2	-179.9	0	0	0	0	0	113.7	L143 T149 T290 G291	L143-G147 WeakPolarHBondContact O-CA 3.42Å; L143-G147 PolarHBondContact O-N 2.91Å; G147-T149 VanDerWaalsContact C-N 3.3Å; G147-T290 WeakPolarHBondContact O-CB 3.19Å; G147-G291 VanDerWaalsContact O-CA 3.26Å; G147-G291 WeakPolarHBondContact O-CA 3.22Å; G147-G291 PolarHBondContact O-N 2.84Å
148	V	98	Very high	98.6	Very high	109 Å²	109	38.5 Å²	38.5	66%	0.661	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-35.8	169	174.5	0	0	0	0	111	E144 L146	E144-V148 WeakPolarHBondContact O-CG2 3.43Å; L146-V148 PolarHBondContact O-N 3.21Å
149	T	98	Very high	98.5	Very high	94 Å²	94	36.7 Å²	36.7	58%	0.577	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-44.8	-172.5	-54.6	0	0	0	0	112.7	L146 G147	L146-T149 PolarHBondContact O-N 3.34Å; L146-T149 VanDerWaalsContact O-N 3.12Å; G147-T149 VanDerWaalsContact C-N 3.3Å
150	Y	98.6	Very high	98.1	Very high	27 Å²	27	38 Å²	38	11%	0.106	20%	0.203	C	C	.	.			trans	-100.2	138.1	-168.6	-63.6	-73.4	0	0	0	111.9	V110 L146 W152 A176 T290 G291	V110-Y150 HydrophobicContact CG1-CE2 4.26Å; V110-Y150 HydrophobicContact CG2-CE2 3.91Å; L146-Y150 HydrophobicContact CB-CD2 4.39Å; L146-Y150 PolarHBondContact O-N 2.97Å; Y150-W152 PolarHBondContact O-N 2.76Å; Y150-A176 HydrophobicContact CD2-CB 3.55Å; Y150-A176 HydrophobicContact CE2-CB 4.24Å; Y150-A176 HydrophobicContact CG-CB 3.74Å; Y150-T290 CarbonylContact O-C 3.48Å; Y150-T290 PolarHBondContact O-OG1 2.81Å; Y150-G291 PolarHBondContact O-N 2.57Å
151	P	98.4	Very high	97.6	Very high	13 Å²	13	42 Å²	42	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	-67.7	-22	175.7	27.1	-36.6	0	0	0	114	S177 P289 T290	P151-S177 WeakPolarHBondContact CD-O 3.08Å; P151-S177 WeakPolarHBondContact CG-O 3.41Å; P151-P289 CarbonylContact O-C 3.58Å; P151-P289 WeakPolarHBondContact O-CA 3.31Å; P151-P289 WeakPolarHBondContact O-CB 3.22Å; P151-T290 WeakPolarHBondContact CA-O 3.3Å; P151-T290 PolarHBondContact O-N 3.35Å
152	W	98.9	Very high	97.1	Very high	6 Å²	6	39.8 Å²	39.8	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.1	176.7	-166.4	-102.9	0	0	0	111.6	Y150 A176 S177 L180 P181 P184 H286 G287 P289 W301	Y150-W152 PolarHBondContact O-N 2.76Å; W152-A176 CarbonylContact O-C 3.07Å; W152-A176 VanDerWaalsContact O-CA 3.26Å; W152-A176 WeakPolarHBondContact O-CA 3.29Å; W152-S177 PolarHBondContact O-N 2.89Å; W152-L180 HydrophobicContact CB-CD1 4.16Å; W152-L180 HydrophobicContact CD2-CD1 3.8Å; W152-L180 HydrophobicContact CE3-CD1 3.29Å; W152-L180 HydrophobicContact CG-CD1 4.17Å; W152-L180 HydrophobicContact CZ3-CD1 3.97Å; W152-P181 VanDerWaalsContact CD1-CD 3.48Å; W152-P181 VanDerWaalsContact CG-CD 3.47Å; W152-P181 HydrophobicContact CG-CG 4.09Å; W152-P184 HydrophobicContact CD2-CB 3.87Å; W152-P184 HydrophobicContact CD2-CG 3.8Å; W152-P184 HydrophobicContact CE3-CB 3.87Å; W152-P184 HydrophobicContact CE3-CG 4.28Å; W152-P184 HydrophobicContact CG-CG 4.47Å; W152-P184 HydrophobicContact CH2-CB 3.56Å; W152-P184 HydrophobicContact CH2-CG 3.7Å; W152-P184 HydrophobicContact CZ2-CB 3.58Å; W152-P184 HydrophobicContact CZ2-CG 3.15Å; W152-P184 HydrophobicContact CZ3-CB 3.7Å; W152-P184 HydrophobicContact CZ3-CG 4.23Å; W152-H286 HydrophobicContact CH2-CB 4.36Å; W152-H286 AromaticContact CZ2-CD2 3.86Å; W152-G287 WeakPolarHBondContact CH2-O 3.36Å; W152-G287 WeakPolarHBondContact CZ3-O 3.38Å; W152-P289 HydrophobicContact CE3-CG 4.38Å; W152-P289 HydrophobicContact CZ3-CG 4.25Å; W152-W301 AromaticContact CH2-CH2 3.9Å; W152-W301 HydrophobicContact CH2-CH2 3.9Å; W152-W301 HydrophobicContact CH2-CZ3 4.31Å; W152-W301 HydrophobicContact CZ3-CH2 4.06Å; W152-W301 HydrophobicContact CZ3-CZ2 4.35Å
153	V	98.9	Very high	96.8	Very high	10 Å²	10	41.3 Å²	41.3	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	104.4	174.9	-178.1	0	0	0	0	107.7	L143 L146 V174 A176	L143-V153 HydrophobicContact CD1-CB 3.64Å; L143-V153 HydrophobicContact CD1-CG1 4.12Å; L143-V153 HydrophobicContact CD1-CG2 4.01Å; L146-V153 HydrophobicContact CB-CG1 4.28Å; L146-V153 HydrophobicContact CB-CG2 3.75Å; L146-V153 HydrophobicContact CD1-CG1 4.28Å; V153-V174 HydrophobicContact CG1-CG1 3.47Å; V153-V174 VanDerWaalsContact CG1-CG1 3.47Å; V153-A176 HydrophobicContact CG2-CB 4.05Å
154	Q	98.9	Very high	96.1	Very high	35 Å²	35	43.5 Å²	43.5	16%	0.164	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	106.6	-178.3	-172.9	58.9	63.7	0	0	110.7	F156 V174 W175 W285	Q154-F156 HydrophobicContact CG-CD1 4.02Å; Q154-V174 VanDerWaalsContact O-CA 3.3Å; Q154-V174 WeakPolarHBondContact O-CA 3.48Å; Q154-W175 PolarHBondContact N-O 2.99Å; Q154-W175 PolarHBondContact O-N 3.45Å; Q154-W285 PolarHBondContact NE2-O 3.41Å
155	I	98.9	Very high	95.6	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.3	169.1	-55.8	175.9	0	0	0	108.1	W139 V174 G284 W285	W139-I155 HydrophobicContact CB-CD1 3.74Å; W139-I155 VanDerWaalsContact CD1-CG2 3.48Å; W139-I155 HydrophobicContact CD2-CG2 4.27Å; W139-I155 HydrophobicContact CG-CD1 4.07Å; W139-I155 HydrophobicContact CG-CG2 3.97Å; I155-V174 HydrophobicContact CB-CG2 4.49Å; I155-V174 HydrophobicContact CG1-CG1 4.07Å; I155-V174 HydrophobicContact CG1-CG2 4.03Å; I155-V174 HydrophobicContact CG2-CG2 4.4Å; I155-G284 WeakPolarHBondContact O-CA 3.42Å; I155-W285 PolarHBondContact O-N 2.97Å; I155-W285 VanDerWaalsContact O-N 3.09Å
156	F	98.8	Very high	94.8	Very high	32 Å²	32	39.2 Å²	39.2	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	146.4	179.4	70.1	-81.7	0	0	0	113.5	Q154 C172 Q173 W175 M283	Q154-F156 HydrophobicContact CG-CD1 4.02Å; F156-C172 WeakPolarHBondContact O-CA 3.23Å; F156-C172 VanDerWaalsContact O-CB 3.26Å; F156-C172 WeakPolarHBondContact O-CB 3.31Å; F156-Q173 HydrophobicContact CD1-CB 4.28Å; F156-Q173 HydrophobicContact CE1-CB 3.68Å; F156-Q173 HydrophobicContact CE2-CB 3.98Å; F156-Q173 HydrophobicContact CZ-CB 3.52Å; F156-Q173 HydrophobicContact CZ-CG 4.29Å; F156-Q173 PolarHBondContact N-O 3.37Å; F156-Q173 PolarHBondContact O-N 2.7Å; F156-W175 HydrophobicContact CE1-CB 4.4Å; F156-W175 AromaticContact CE1-CD1 3.77Å; F156-W175 AromaticContact CE1-CD2 3.85Å; F156-W175 HydrophobicContact CE1-CD2 3.85Å; F156-W175 AromaticContact CE1-CE2 3.92Å; F156-W175 AromaticContact CE1-CG 3.77Å; F156-W175 HydrophobicContact CE1-CG 3.77Å; F156-W175 AromaticContact CE1-NE1 3.83Å; F156-W175 AromaticContact CZ-CD2 3.99Å; F156-W175 HydrophobicContact CZ-CD2 3.99Å; F156-W175 AromaticContact CZ-CE2 3.63Å; F156-W175 HydrophobicContact CZ-CG 4.31Å; F156-W175 AromaticContact CZ-CZ2 3.95Å; F156-W175 HydrophobicContact CZ-CZ2 3.95Å; F156-W175 AromaticContact CZ-NE1 3.69Å; F156-M283 CarbonylContact C-O 3.56Å; F156-M283 WeakPolarHBondContact CA-O 3.23Å; F156-M283 VanDerWaalsContact CB-O 3.23Å; F156-M283 WeakPolarHBondContact CB-O 3.42Å
157	E	98.6	Very high	94.4	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.051	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.5	172.8	168.9	-171	-158.9	0	0	109.5	F116 K159 C172 Y281 S282 M283	F116-E157 HydrophobicContact CE2-CG 4.44Å; F116-E157 HydrophobicContact CZ-CB 4.41Å; F116-E157 HydrophobicContact CZ-CG 4.46Å; E157-K159 HydrophobicContact CG-CB 4.39Å; E157-C172 HydrophobicContact CB-CB 4.04Å; E157-Y281 HydrophobicContact CG-CE2 4.26Å; E157-Y281 PolarHBondContact OE1-OH 2.88Å; E157-Y281 WeakPolarHBondContact OE2-CE2 3.42Å; E157-Y281 PolarHBondContact OE2-OH 3.05Å; E157-S282 CarbonylContact O-C 3.49Å; E157-S282 VanDerWaalsContact O-CA 3.3Å; E157-S282 WeakPolarHBondContact O-CA 3.29Å; E157-M283 HydrophobicContact CB-CG 3.92Å; E157-M283 HydrophobicContact CB-SD 4.18Å; E157-M283 PolarHBondContact N-O 2.94Å; E157-M283 PolarHBondContact O-N 2.81Å
158	N	97.7	Very high	94.2	Very high	47 Å²	47	43.2 Å²	43.2	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.2	164.9	-69.2	-35.5	0	0	0	108.2	M163 C165 S282	N158-M163 HydrophobicContact CB-CB 4.47Å; N158-C165 HydrophobicContact CB-CB 4.42Å; N158-C165 WeakPolarHBondContact O-CB 3.46Å; N158-C165 PolarHBondContact O-SG 2.85Å; N158-S282 WeakPolarHBondContact OD1-CB 3.3Å; N158-S282 PolarHBondContact OD1-OG 2.89Å
159	K	95.9	Very high	94.1	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.1	-179.2	-177	-174.9	170.6	-158.1	0	110.9	E157 M163 D272 S278 F279 P280 Y281	E157-K159 HydrophobicContact CG-CB 4.39Å; K159-M163 WeakPolarHBondContact O-CG 3.34Å; K159-D272 IonicContact NZ-OD1 4Å; K159-D272 PolarHBondContact NZ-OD1 2.62Å; K159-D272 IonicContact NZ-OD2 3.72Å; K159-S278 WeakPolarHBondContact CE-OG 3.39Å; K159-F279 VanDerWaalsContact CD-O 3.31Å; K159-F279 WeakPolarHBondContact CD-O 3.25Å; K159-F279 VanDerWaalsContact CE-O 3.3Å; K159-F279 WeakPolarHBondContact CE-O 3.49Å; K159-F279 PolarHBondContact NZ-O 3.04Å; K159-P280 VanDerWaalsContact O-CA 3.25Å; K159-P280 WeakPolarHBondContact O-CA 3.38Å; K159-P280 WeakPolarHBondContact O-CB 3.4Å; K159-Y281 HydrophobicContact CB-CD1 4.48Å; K159-Y281 HydrophobicContact CB-CD2 4.32Å; K159-Y281 HydrophobicContact CB-CE1 4.27Å; K159-Y281 HydrophobicContact CB-CE2 4.08Å; K159-Y281 HydrophobicContact CB-CG 4.5Å; K159-Y281 HydrophobicContact CD-CD1 4.07Å; K159-Y281 HydrophobicContact CD-CE1 3.41Å; K159-Y281 VanDerWaalsContact CD-CE1 3.41Å; K159-Y281 HydrophobicContact CG-CE1 4.47Å; K159-Y281 PolarHBondContact N-O 3Å; K159-Y281 PolarHBondContact O-N 2.94Å
160	G	91.1	Very high	94.1	Very high	29 Å²	29	34.1 Å²	34.1	30%	0.299	23%	0.226	S	C	.	.	S	Bend	trans	84	150.8	173.5	0	0	0	0	0	114.4	M162 M163	G160-M162 PolarHBondContact O-N 2.87Å; G160-M162 VanDerWaalsContact O-N 3.13Å; G160-M163 PolarHBondContact O-N 2.93Å
161	A	87.9	Confident	94.1	Very high	87 Å²	87	34 Å²	34	72%	0.719	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58.5	-29.5	-176.2	0	0	0	0	0	113.6	M163 G164 C165	A161-M163 PolarHBondContact O-N 3.48Å; A161-G164 PolarHBondContact O-N 2.93Å; A161-C165 WeakPolarHBondContact CA-O 3.45Å
162	M	89.3	Confident	94.1	Very high	46 Å²	46	33.4 Å²	33.4	23%	0.227	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.4	-23.3	176.5	-164.4	175.8	-58.5	0	0	113.3	E43 G160 P280 P310 L311 K318	E43-M162 HydrophobicContact CB-CE 3.64Å; E43-M162 HydrophobicContact CG-CE 3.49Å; E43-M162 VanDerWaalsContact CG-CE 3.49Å; E43-M162 HydrophobicContact CG-SD 4.38Å; G160-M162 PolarHBondContact O-N 2.87Å; G160-M162 VanDerWaalsContact O-N 3.13Å; M162-P280 HydrophobicContact CB-CB 4.21Å; M162-P280 HydrophobicContact CB-CG 4.31Å; M162-P280 HydrophobicContact SD-CG 4.2Å; M162-P310 HydrophobicContact CG-CG 3.95Å; M162-P310 HydrophobicContact SD-CB 4.01Å; M162-P310 HydrophobicContact SD-CG 3.43Å; M162-P310 WeakPolarHBondContact SD-CG 3.21Å; M162-L311 HydrophobicContact CE-CD2 3.69Å; M162-L311 HydrophobicContact SD-CD2 3.8Å; M162-K318 HydrophobicContact CE-CD 4.46Å; M162-K318 HydrophobicContact CG-CD 3.76Å; M162-K318 HydrophobicContact SD-CB 3.71Å; M162-K318 HydrophobicContact SD-CD 3.44Å; M162-K318 WeakPolarHBondContact SD-CD 3.49Å; M162-K318 HydrophobicContact SD-CG 4.19Å
163	M	91.3	Very high	94.1	Very high	35 Å²	35	34.9 Å²	34.9	17%	0.172	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-100.4	13.7	177.1	-54.9	-52.2	-65	0	0	112.7	N158 K159 G160 A161 C165 P280 S282 P310	N158-M163 HydrophobicContact CB-CB 4.47Å; K159-M163 WeakPolarHBondContact O-CG 3.34Å; G160-M163 PolarHBondContact O-N 2.93Å; A161-M163 PolarHBondContact O-N 3.48Å; M163-C165 VanDerWaalsContact C-N 3.33Å; M163-P280 HydrophobicContact CG-CB 4.01Å; M163-S282 WeakPolarHBondContact CE-OG 3.45Å; M163-P310 HydrophobicContact SD-CB 4.05Å; M163-P310 VanDerWaalsContact SD-CD 3.54Å; M163-P310 HydrophobicContact SD-CG 3.47Å; M163-P310 WeakPolarHBondContact SD-CG 3.36Å
164	G	85	Confident	94.1	Very high	65 Å²	65	34.4 Å²	34.4	67%	0.67	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	10.4	179.4	0	0	0	0	0	114.7	A161 S166	A161-G164 PolarHBondContact O-N 2.93Å; G164-S166 PolarHBondContact O-N 3.27Å
165	C	87.5	Confident	94.1	Very high	23 Å²	23	37.1 Å²	37.1	16%	0.155	24%	0.235	C	C	.	.			trans	-76.2	119.3	174.1	-170.9	0	0	0	0	110.6	N158 A161 M163 N167	N158-C165 HydrophobicContact CB-CB 4.42Å; N158-C165 WeakPolarHBondContact O-CB 3.46Å; N158-C165 PolarHBondContact O-SG 2.85Å; A161-C165 WeakPolarHBondContact CA-O 3.45Å; M163-C165 VanDerWaalsContact C-N 3.33Å; C165-N167 PolarHBondContact SG-O 3.37Å
166	S	81.5	Confident	94.1	Very high	125 Å²	125	36.9 Å²	36.9	87%	0.874	23%	0.234	S	C	*	.			trans	-96.6	-13.6	-176.8	56.8	0	0	0	0	114.3	G164	G164-S166 PolarHBondContact O-N 3.27Å
167	N	91.7	Very high	94.1	Very high	28 Å²	28	35.6 Å²	35.6	15%	0.15	23%	0.229	C	C	.	.			trans	-118.3	123.6	179.2	-168.3	-42.9	0	0	0	110.4	N57 L59 C165 H169	N57-N167 PolarHBondContact ND2-OD1 3.09Å; N57-N167 PolarHBondContact OD1-ND2 2.85Å; N57-N167 PolarHBondContact OD1-OD1 2.71Å; L59-N167 HydrophobicContact CD1-CB 4.14Å; C165-N167 PolarHBondContact SG-O 3.37Å; N167-H169 VanDerWaalsContact C-N 3.27Å; N167-H169 PolarHBondContact O-N 2.72Å; N167-H169 VanDerWaalsContact OD1-CB 3.26Å; N167-H169 WeakPolarHBondContact OD1-CB 3.43Å; N167-H169 PolarHBondContact OD1-N 2.83Å
168	P	92.6	Very high	94.1	Very high	68 Å²	68	37.4 Å²	37.4	44%	0.442	24%	0.243	S	C	.	.			trans	-74.5	-12.1	-175.6	30.4	-36.5	0	0	0	114.5	I50	I50-P168 HydrophobicContact CD1-CB 3.71Å; I50-P168 HydrophobicContact CG1-CB 3.96Å; I50-P168 HydrophobicContact CG2-CB 4.08Å; I50-P168 HydrophobicContact CG2-CG 4.11Å
169	H	96.9	Very high	94.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	25%	0.248	C	C	.	.	S	Bend	trans	-62.3	135.8	179.6	-166.5	88.9	0	0	0	110.7	L59 Y74 H117 S120 N167 H171	L59-H169 HydrophobicContact CB-CB 3.84Å; L59-H169 HydrophobicContact CD1-CB 3.94Å; L59-H169 HydrophobicContact CG-CB 4.47Å; Y74-H169 PolarHBondContact OH-CE1 2.98Å; Y74-H169 VanDerWaalsContact OH-CE1 3.31Å; Y74-H169 PolarHBondContact OH-NE2 3.38Å; H117-H169 PolarHBondContact O-CE1 3.07Å; H117-H169 VanDerWaalsContact O-CE1 3.31Å; H117-H169 PolarHBondContact O-NE2 2.99Å; S120-H169 PolarHBondContact OG-ND1 2.72Å; N167-H169 VanDerWaalsContact C-N 3.27Å; N167-H169 PolarHBondContact O-N 2.72Å; N167-H169 VanDerWaalsContact OD1-CB 3.26Å; N167-H169 WeakPolarHBondContact OD1-CB 3.43Å; N167-H169 PolarHBondContact OD1-N 2.83Å; H169-H171 PolarHBondContact O-N 3.34Å; H169-H171 VanDerWaalsContact O-N 3.17Å; H169-H171 PolarHBondContact O-ND1 3.23Å
170	P	97.8	Very high	94.2	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.065	26%	0.258	C	S	.	.			trans	-68.9	114.6	-174.2	29.2	-37.2	0	0	0	111.2	C115 F116 H117 W119 V122	C115-P170 WeakPolarHBondContact CA-O 3.48Å; F116-P170 HydrophobicContact CB-CB 4.2Å; F116-P170 HydrophobicContact CD2-CB 3.92Å; F116-P170 HydrophobicContact CG-CB 4.47Å; F116-P170 PolarHBondContact N-O 3.37Å; H117-P170 HydrophobicContact CB-CG 4.29Å; W119-P170 WeakPolarHBondContact O-CD 3.45Å; V122-P170 WeakPolarHBondContact O-CB 3.4Å; V122-P170 VanDerWaalsContact O-CG 3.26Å; V122-P170 WeakPolarHBondContact O-CG 3.18Å
171	H	98.4	Very high	94.5	Very high	25 Å²	25	41.2 Å²	41.2	12%	0.116	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	159.1	-178	69.9	-75.9	0	0	0	112.3	L59 V113 M114 H169	L59-H171 HydrophobicContact CD1-CB 4.44Å; V113-H171 HydrophobicContact CG1-CB 4.4Å; M114-H171 CarbonylContact O-C 3.49Å; M114-H171 WeakPolarHBondContact O-CA 3.28Å; M114-H171 VanDerWaalsContact O-CB 3.27Å; M114-H171 WeakPolarHBondContact O-CB 3.16Å; H169-H171 PolarHBondContact O-N 3.34Å; H169-H171 VanDerWaalsContact O-N 3.17Å; H169-H171 PolarHBondContact O-ND1 3.23Å
172	C	98.6	Very high	95	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	177	161.9	78	0	0	0	0	110.7	M114 F116 W139 F156 E157	M114-C172 PolarHBondContact N-O 2.92Å; M114-C172 PolarHBondContact O-N 3.47Å; F116-C172 HydrophobicContact CE1-CB 3.61Å; F116-C172 HydrophobicContact CZ-CB 3.61Å; W139-C172 PolarHBondContact NE1-SG 3.02Å; F156-C172 WeakPolarHBondContact O-CA 3.23Å; F156-C172 VanDerWaalsContact O-CB 3.26Å; F156-C172 WeakPolarHBondContact O-CB 3.31Å; E157-C172 HydrophobicContact CB-CB 4.04Å
173	Q	98.7	Very high	95.4	Very high	36 Å²	36	45.6 Å²	45.6	17%	0.168	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.3	169.4	-67.8	-175.4	65.2	0	0	109.8	K112 V113 F156	K112-Q173 WeakPolarHBondContact O-CA 3.19Å; V113-Q173 HydrophobicContact CG2-CG 4.48Å; F156-Q173 HydrophobicContact CD1-CB 4.28Å; F156-Q173 HydrophobicContact CE1-CB 3.68Å; F156-Q173 HydrophobicContact CE2-CB 3.98Å; F156-Q173 HydrophobicContact CZ-CB 3.52Å; F156-Q173 HydrophobicContact CZ-CG 4.29Å; F156-Q173 PolarHBondContact N-O 3.37Å; F156-Q173 PolarHBondContact O-N 2.7Å
174	V	98.8	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.5	171.7	-172.2	0	0	0	0	109.1	C111 K112 I142 L146 V153 Q154 I155	C111-V174 CarbonylContact C-O 3.59Å; C111-V174 WeakPolarHBondContact CA-O 3.38Å; K112-V174 HydrophobicContact CB-CB 4.47Å; K112-V174 PolarHBondContact N-O 2.9Å; K112-V174 PolarHBondContact O-N 3.37Å; I142-V174 HydrophobicContact CD1-CG2 4.08Å; I142-V174 HydrophobicContact CG2-CB 4.13Å; I142-V174 HydrophobicContact CG2-CG1 3.73Å; I142-V174 HydrophobicContact CG2-CG2 4.08Å; L146-V174 HydrophobicContact CD1-CG1 4.13Å; V153-V174 HydrophobicContact CG1-CG1 3.47Å; V153-V174 VanDerWaalsContact CG1-CG1 3.47Å; Q154-V174 VanDerWaalsContact O-CA 3.3Å; Q154-V174 WeakPolarHBondContact O-CA 3.48Å; I155-V174 HydrophobicContact CB-CG2 4.49Å; I155-V174 HydrophobicContact CG1-CG1 4.07Å; I155-V174 HydrophobicContact CG1-CG2 4.03Å; I155-V174 HydrophobicContact CG2-CG2 4.4Å
175	W	98.8	Very high	96.4	Very high	92 Å²	92	42.8 Å²	42.8	35%	0.348	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.2	175.9	-64.7	5.5	0	0	0	108.7	A86 V110 C111 Q154 F156	A86-W175 HydrophobicContact CB-CE3 4.47Å; A86-W175 HydrophobicContact CB-CH2 3.9Å; A86-W175 HydrophobicContact CB-CZ2 4.06Å; A86-W175 HydrophobicContact CB-CZ3 4.12Å; V110-W175 WeakPolarHBondContact O-CA 3.28Å; C111-W175 HydrophobicContact CB-CG 4.49Å; C111-W175 VanDerWaalsContact SG-CD1 3.57Å; Q154-W175 PolarHBondContact N-O 2.99Å; Q154-W175 PolarHBondContact O-N 3.45Å; F156-W175 HydrophobicContact CE1-CB 4.4Å; F156-W175 AromaticContact CE1-CD1 3.77Å; F156-W175 AromaticContact CE1-CD2 3.85Å; F156-W175 HydrophobicContact CE1-CD2 3.85Å; F156-W175 AromaticContact CE1-CE2 3.92Å; F156-W175 AromaticContact CE1-CG 3.77Å; F156-W175 HydrophobicContact CE1-CG 3.77Å; F156-W175 AromaticContact CE1-NE1 3.83Å; F156-W175 AromaticContact CZ-CD2 3.99Å; F156-W175 HydrophobicContact CZ-CD2 3.99Å; F156-W175 AromaticContact CZ-CE2 3.63Å; F156-W175 HydrophobicContact CZ-CG 4.31Å; F156-W175 AromaticContact CZ-CZ2 3.95Å; F156-W175 HydrophobicContact CZ-CZ2 3.95Å; F156-W175 AromaticContact CZ-NE1 3.69Å
176	A	98.8	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.5	174.1	0	0	0	0	0	109.8	G109 V110 L146 Y150 W152 V153	G109-A176 CarbonylContact C-O 3.51Å; G109-A176 WeakPolarHBondContact CA-O 3.26Å; V110-A176 HydrophobicContact CG2-CB 3.92Å; V110-A176 PolarHBondContact N-O 3.33Å; V110-A176 PolarHBondContact O-N 2.77Å; L146-A176 HydrophobicContact CB-CB 4.06Å; L146-A176 HydrophobicContact CD1-CB 3.87Å; L146-A176 HydrophobicContact CG-CB 4.49Å; Y150-A176 HydrophobicContact CD2-CB 3.55Å; Y150-A176 HydrophobicContact CE2-CB 4.24Å; Y150-A176 HydrophobicContact CG-CB 3.74Å; W152-A176 CarbonylContact O-C 3.07Å; W152-A176 VanDerWaalsContact O-CA 3.26Å; W152-A176 WeakPolarHBondContact O-CA 3.29Å; V153-A176 HydrophobicContact CG2-CB 4.05Å
177	S	98.6	Very high	97.8	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.9	-171.3	54.1	0	0	0	0	112	P151 W152 F179	P151-S177 WeakPolarHBondContact CD-O 3.08Å; P151-S177 WeakPolarHBondContact CG-O 3.41Å; W152-S177 PolarHBondContact O-N 2.89Å; S177-F179 PolarHBondContact O-N 2.87Å; S177-F179 VanDerWaalsContact O-N 3.08Å; S177-F179 PolarHBondContact OG-O 3.01Å
178	S	98.2	Very high	98.1	Very high	49 Å²	49	37.7 Å²	37.7	34%	0.343	20%	0.204	S	C	.	.	S	Bend	trans	-70.4	4.1	175.1	67.8	0	0	0	0	114.1	R108	R108-S178 PolarHBondContact N-OG 2.92Å; R108-S178 VanDerWaalsContact N-OG 3.1Å; R108-S178 WeakPolarHBondContact O-CB 3.22Å; R108-S178 PolarHBondContact O-N 2.77Å; R108-S178 PolarHBondContact O-OG 3.42Å
179	F	97.8	Very high	98.4	Very high	84 Å²	84	40.9 Å²	40.9	37%	0.368	21%	0.207	S	C	.	.	S	Bend	trans	-138.3	158.8	-178.8	59.4	-89.8	0	0	0	109.2	L87 A107 S177 P181	L87-F179 HydrophobicContact CD2-CE1 4.33Å; A107-F179 HydrophobicContact CB-CD1 4.33Å; A107-F179 HydrophobicContact CB-CE1 3.74Å; S177-F179 PolarHBondContact O-N 2.87Å; S177-F179 VanDerWaalsContact O-N 3.08Å; S177-F179 PolarHBondContact OG-O 3.01Å; F179-P181 HydrophobicContact CD2-CG 4.49Å; F179-P181 HydrophobicContact CE2-CB 4.43Å; F179-P181 HydrophobicContact CE2-CG 4.21Å; F179-P181 WeakPolarHBondContact O-CD 3.45Å
180	L	98.1	Very high	98.5	Very high	50 Å²	50	41.4 Å²	41.4	26%	0.262	21%	0.211	S	C	.	.			trans	-84	118.3	171.6	-168.1	62.6	0	0	0	109.2	W152 P184 A185 D188 P289	W152-L180 HydrophobicContact CB-CD1 4.16Å; W152-L180 HydrophobicContact CD2-CD1 3.8Å; W152-L180 HydrophobicContact CE3-CD1 3.29Å; W152-L180 HydrophobicContact CG-CD1 4.17Å; W152-L180 HydrophobicContact CZ3-CD1 3.97Å; L180-P184 HydrophobicContact CD1-CB 3.58Å; L180-P184 HydrophobicContact CG-CB 4.02Å; L180-A185 HydrophobicContact CD2-CB 3.91Å; L180-A185 HydrophobicContact CG-CB 4.01Å; L180-D188 HydrophobicContact CD2-CB 4.48Å; L180-P289 HydrophobicContact CD1-CG 4.13Å
181	P	98.6	Very high	98.5	Very high	36 Å²	36	41 Å²	41	23%	0.234	21%	0.208	C	C	.	.			trans	-67.1	165.2	-179.6	-19.7	32.8	0	0	0	112.7	W152 F179 E183 P184 A185	W152-P181 VanDerWaalsContact CD1-CD 3.48Å; W152-P181 VanDerWaalsContact CG-CD 3.47Å; W152-P181 HydrophobicContact CG-CG 4.09Å; F179-P181 HydrophobicContact CD2-CG 4.49Å; F179-P181 HydrophobicContact CE2-CB 4.43Å; F179-P181 HydrophobicContact CE2-CG 4.21Å; F179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-E183 PolarHBondContact O-N 3.34Å; P181-P184 HydrophobicContact CB-CG 4.35Å; P181-P184 HydrophobicContact CG-CG 4.47Å; P181-P184 WeakPolarHBondContact O-CD 3.3Å; P181-A185 VanDerWaalsContact O-CB 3.28Å; P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 3.02Å
182	N	98.4	Very high	98.5	Very high	140 Å²	140	43 Å²	43	75%	0.749	21%	0.214	S	C	*	.	H	α-helix	trans	-52.2	-51.2	-173.3	-65.4	-14.5	0	0	0	113.9	A185 V186	N182-A185 PolarHBondContact O-N 3.13Å; N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.99Å
183	E	98.1	Very high	98.5	Very high	85 Å²	85	45.5 Å²	45.5	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-52.9	-176.4	-71.5	-67.9	155.1	0	0	112.2	R23 P181 A185 V186 S187	R23-E183 IonicContact CZ-OE1 3.23Å; R23-E183 IonicContact CZ-OE2 3.14Å; R23-E183 IonicContact NE-OE1 3.09Å; R23-E183 IonicContact NE-OE2 3.9Å; R23-E183 PolarHBondContact NE-OE2 2.75Å; R23-E183 IonicContact NH2-OE1 3.62Å; R23-E183 PolarHBondContact NH2-OE1 3.45Å; R23-E183 IonicContact NH2-OE2 2.65Å; R23-E183 PolarHBondContact NH2-OE2 2.99Å; P181-E183 PolarHBondContact O-N 3.34Å; E183-A185 VanDerWaalsContact C-N 3.34Å; E183-A185 PolarHBondContact O-N 2.97Å; E183-V186 PolarHBondContact O-N 3.25Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 2.85Å
184	P	98.3	Very high	98.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-56.5	-38.8	170	-30	36.2	0	0	0	115.1	W152 L180 P181 S187 D188	W152-P184 HydrophobicContact CD2-CB 3.87Å; W152-P184 HydrophobicContact CD2-CG 3.8Å; W152-P184 HydrophobicContact CE3-CB 3.87Å; W152-P184 HydrophobicContact CE3-CG 4.28Å; W152-P184 HydrophobicContact CG-CG 4.47Å; W152-P184 HydrophobicContact CH2-CB 3.56Å; W152-P184 HydrophobicContact CH2-CG 3.7Å; W152-P184 HydrophobicContact CZ2-CB 3.58Å; W152-P184 HydrophobicContact CZ2-CG 3.15Å; W152-P184 HydrophobicContact CZ3-CB 3.7Å; W152-P184 HydrophobicContact CZ3-CG 4.23Å; L180-P184 HydrophobicContact CD1-CB 3.58Å; L180-P184 HydrophobicContact CG-CB 4.02Å; P181-P184 HydrophobicContact CB-CG 4.35Å; P181-P184 HydrophobicContact CG-CG 4.47Å; P181-P184 WeakPolarHBondContact O-CD 3.3Å; P184-S187 PolarHBondContact O-N 3.29Å; P184-D188 WeakPolarHBondContact O-CB 3.43Å; P184-D188 PolarHBondContact O-N 3.21Å
185	A	98.6	Very high	98.5	Very high	38 Å²	38	50.5 Å²	50.5	31%	0.314	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-42	-179.2	0	0	0	0	0	112.3	L180 P181 N182 E183 R189	L180-A185 HydrophobicContact CD2-CB 3.91Å; L180-A185 HydrophobicContact CG-CB 4.01Å; P181-A185 VanDerWaalsContact O-CB 3.28Å; P181-A185 WeakPolarHBondContact O-CB 3.49Å; P181-A185 PolarHBondContact O-N 3.02Å; N182-A185 PolarHBondContact O-N 3.13Å; E183-A185 VanDerWaalsContact C-N 3.34Å; E183-A185 PolarHBondContact O-N 2.97Å; A185-R189 PolarHBondContact O-N 3.39Å
186	V	98.6	Very high	98.5	Very high	40 Å²	40	53.1 Å²	53.1	24%	0.242	27%	0.27	C	S	.	.	H	α-helix	trans	-64.9	-44.5	172.8	174.2	0	0	0	0	110.2	N182 E183 D188 R189 C190	N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.99Å; E183-V186 PolarHBondContact O-N 3.25Å; V186-D188 PolarHBondContact O-N 2.84Å; V186-R189 PolarHBondContact O-N 3.17Å; V186-C190 WeakPolarHBondContact O-CB 3.49Å; V186-C190 PolarHBondContact O-N 2.97Å; V186-C190 PolarHBondContact O-SG 2.86Å; V186-C190 VanDerWaalsContact O-SG 3.36Å
187	S	98.4	Very high	98.5	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-39.8	179.9	-165.1	0	0	0	0	113	L22 E183 P184 Q191	L22-S187 WeakPolarHBondContact O-CA 3.39Å; E183-S187 WeakPolarHBondContact O-CB 3.43Å; E183-S187 PolarHBondContact O-N 2.85Å; P184-S187 PolarHBondContact O-N 3.29Å; S187-Q191 VanDerWaalsContact O-CB 3.3Å; S187-Q191 WeakPolarHBondContact O-CB 3.45Å; S187-Q191 VanDerWaalsContact O-CG 3.28Å; S187-Q191 WeakPolarHBondContact O-CG 3.41Å; S187-Q191 PolarHBondContact O-N 2.8Å; S187-Q191 PolarHBondContact O-NE2 3.34Å; S187-Q191 PolarHBondContact OG-NE2 3Å; S187-Q191 VanDerWaalsContact OG-NE2 3.11Å
188	D	98.8	Very high	98.5	Very high	24 Å²	24	65.1 Å²	65.1	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-54	173.6	-176.4	76.6	0	0	0	110.4	L180 P184 V186 C190 Q191 R192 H300 W301	L180-D188 HydrophobicContact CD2-CB 4.48Å; P184-D188 WeakPolarHBondContact O-CB 3.43Å; P184-D188 PolarHBondContact O-N 3.21Å; V186-D188 PolarHBondContact O-N 2.84Å; D188-C190 PolarHBondContact O-N 2.93Å; D188-Q191 PolarHBondContact O-N 3.27Å; D188-R192 WeakPolarHBondContact O-CB 3.44Å; D188-R192 PolarHBondContact O-N 2.79Å; D188-R192 IonicContact OD1-NH2 2.84Å; D188-R192 PolarHBondContact OD1-NH2 3.26Å; D188-R192 VanDerWaalsContact OD1-NH2 3.14Å; D188-R192 IonicContact OD2-CZ 3.85Å; D188-R192 IonicContact OD2-NE 3.22Å; D188-R192 PolarHBondContact OD2-NE 3.45Å; D188-R192 IonicContact OD2-NH2 3.85Å; D188-R192 PolarHBondContact OD2-NH2 3.08Å; D188-R192 VanDerWaalsContact OD2-NH2 3.09Å; D188-H300 IonicContact OD1-CD2 2.75Å; D188-H300 IonicContact OD1-CE1 2.76Å; D188-H300 IonicContact OD1-NE2 3.97Å; D188-H300 PolarHBondContact OD1-NE2 3.3Å; D188-H300 IonicContact OD2-NE2 3.75Å; D188-W301 HydrophobicContact CB-CZ2 3.77Å; D188-W301 PolarHBondContact OD1-NE1 2.89Å
189	R	98.7	Very high	98.5	Very high	134 Å²	134	65.3 Å²	65.3	51%	0.506	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-48.5	-178.6	-177.6	-170.3	68.9	-151.1	2.2	111.5	A185 V186 A193	A185-R189 PolarHBondContact O-N 3.39Å; V186-R189 PolarHBondContact O-N 3.17Å; R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.37Å
190	C	98.8	Very high	98.5	Very high	14 Å²	14	66 Å²	66	10%	0.095	34%	0.339	C	S	.	.	H	α-helix	trans	-67.7	-44.8	-176.8	-71.9	0	0	0	0	112.3	P21 V186 D188 A193 Y194	P21-C190 VanDerWaalsContact O-CB 3.29Å; P21-C190 WeakPolarHBondContact O-CB 3.45Å; V186-C190 WeakPolarHBondContact O-CB 3.49Å; V186-C190 PolarHBondContact O-N 2.97Å; V186-C190 PolarHBondContact O-SG 2.86Å; V186-C190 VanDerWaalsContact O-SG 3.36Å; D188-C190 PolarHBondContact O-N 2.93Å; C190-A193 PolarHBondContact O-N 3.16Å; C190-Y194 PolarHBondContact O-N 3.32Å
191	Q	98.8	Very high	98.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-42.2	176.2	-73.4	178.9	101.6	0	0	111.4	L22 S187 D188 Y194 Y195 L202 W301	L22-Q191 HydrophobicContact CD2-CG 3.81Å; S187-Q191 VanDerWaalsContact O-CB 3.3Å; S187-Q191 WeakPolarHBondContact O-CB 3.45Å; S187-Q191 VanDerWaalsContact O-CG 3.28Å; S187-Q191 WeakPolarHBondContact O-CG 3.41Å; S187-Q191 PolarHBondContact O-N 2.8Å; S187-Q191 PolarHBondContact O-NE2 3.34Å; S187-Q191 PolarHBondContact OG-NE2 3Å; S187-Q191 VanDerWaalsContact OG-NE2 3.11Å; D188-Q191 PolarHBondContact O-N 3.27Å; Q191-Y194 PolarHBondContact O-N 3.34Å; Q191-Y195 WeakPolarHBondContact O-CB 3.35Å; Q191-Y195 PolarHBondContact O-N 3.12Å; Q191-L202 HydrophobicContact CG-CB 4.37Å; Q191-L202 HydrophobicContact CG-CD1 4.5Å; Q191-W301 VanDerWaalsContact NE2-CZ3 3.35Å
192	R	98.8	Very high	98.5	Very high	68 Å²	68	62.8 Å²	62.8	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-46.9	177.1	-169.5	-180	-58	-84.6	6.2	112	D188 Y194 Y195 Q196 D297 H300	D188-R192 WeakPolarHBondContact O-CB 3.44Å; D188-R192 PolarHBondContact O-N 2.79Å; D188-R192 IonicContact OD1-NH2 2.84Å; D188-R192 PolarHBondContact OD1-NH2 3.26Å; D188-R192 VanDerWaalsContact OD1-NH2 3.14Å; D188-R192 IonicContact OD2-CZ 3.85Å; D188-R192 IonicContact OD2-NE 3.22Å; D188-R192 PolarHBondContact OD2-NE 3.45Å; D188-R192 IonicContact OD2-NH2 3.85Å; D188-R192 PolarHBondContact OD2-NH2 3.08Å; D188-R192 VanDerWaalsContact OD2-NH2 3.09Å; R192-Y194 VanDerWaalsContact C-N 3.33Å; R192-Y194 PolarHBondContact O-N 3.24Å; R192-Y195 PolarHBondContact O-N 3.06Å; R192-Q196 WeakPolarHBondContact O-CB 3.37Å; R192-Q196 VanDerWaalsContact O-CG 3.31Å; R192-Q196 WeakPolarHBondContact O-CG 3.2Å; R192-Q196 PolarHBondContact O-N 2.77Å; R192-D297 PolarHBondContact NH1-O 3.5Å; R192-H300 HydrophobicContact CB-CB 4.46Å; R192-H300 PolarHBondContact N-CD2 3.33Å; R192-H300 PolarHBondContact NH1-CE1 2.92Å; R192-H300 PolarHBondContact NH2-CE1 3.11Å; R192-H300 PolarHBondContact NH2-NE2 2.98Å
193	A	98.8	Very high	98.6	Very high	53 Å²	53	56.1 Å²	56.1	44%	0.438	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-40.9	177.7	0	0	0	0	0	112	R189 C190 K197	R189-A193 WeakPolarHBondContact O-CB 3.42Å; R189-A193 PolarHBondContact O-N 3.37Å; C190-A193 PolarHBondContact O-N 3.16Å; A193-K197 WeakPolarHBondContact O-CB 3.34Å; A193-K197 PolarHBondContact O-N 2.91Å
194	Y	98.8	Very high	98.6	Very high	70 Å²	70	53.9 Å²	53.9	28%	0.275	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-46.8	174.4	-175.8	-80	0	0	0	111.6	C190 Q191 R192 Q196 K197 N198 E200 L202	C190-Y194 PolarHBondContact O-N 3.32Å; Q191-Y194 PolarHBondContact O-N 3.34Å; R192-Y194 VanDerWaalsContact C-N 3.33Å; R192-Y194 PolarHBondContact O-N 3.24Å; Y194-Q196 PolarHBondContact O-N 2.86Å; Y194-K197 PolarHBondContact O-N 2.92Å; Y194-N198 HydrophobicContact CD1-CB 4.2Å; Y194-N198 WeakPolarHBondContact CD2-ND2 3.46Å; Y194-N198 HydrophobicContact CE1-CB 3.79Å; Y194-N198 WeakPolarHBondContact CE2-ND2 3.26Å; Y194-N198 WeakPolarHBondContact O-CB 3.42Å; Y194-N198 PolarHBondContact O-N 3.07Å; Y194-N198 PolarHBondContact O-ND2 3.46Å; Y194-E200 WeakPolarHBondContact CD1-O 3.22Å; Y194-E200 WeakPolarHBondContact CE1-O 3.32Å; Y194-L202 VanDerWaalsContact CD1-CA 3.45Å; Y194-L202 HydrophobicContact CD1-CB 3.67Å; Y194-L202 HydrophobicContact CD1-CG 4.29Å; Y194-L202 HydrophobicContact CD2-CB 4.35Å; Y194-L202 HydrophobicContact CD2-CD1 4.17Å; Y194-L202 HydrophobicContact CD2-CG 4.08Å; Y194-L202 HydrophobicContact CE1-CB 4.26Å; Y194-L202 HydrophobicContact CG-CB 3.74Å; Y194-L202 HydrophobicContact CG-CD1 4.03Å; Y194-L202 HydrophobicContact CG-CG 3.95Å
195	Y	98.8	Very high	98.6	Very high	71 Å²	71	55.9 Å²	55.9	28%	0.278	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-46.6	-179.6	-175.8	-100.4	0	0	0	111.8	Q191 R192 K197 N198 G199 E200 P201 H300	Q191-Y195 WeakPolarHBondContact O-CB 3.35Å; Q191-Y195 PolarHBondContact O-N 3.12Å; R192-Y195 PolarHBondContact O-N 3.06Å; Y195-K197 PolarHBondContact O-N 3.31Å; Y195-N198 PolarHBondContact O-N 2.72Å; Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 3.48Å; Y195-E200 VanDerWaalsContact CD2-C 3.47Å; Y195-P201 HydrophobicContact CD2-CG 4.16Å; Y195-P201 HydrophobicContact CE2-CG 4.14Å; Y195-H300 VanDerWaalsContact CB-CB 3.46Å; Y195-H300 HydrophobicContact CD1-CB 4.13Å; Y195-H300 HydrophobicContact CD2-CB 4.34Å; Y195-H300 HydrophobicContact CG-CB 3.74Å
196	Q	98.5	Very high	98.6	Very high	148 Å²	148	55.4 Å²	55.4	69%	0.692	28%	0.277	S	S	*	.	H	α-helix	trans	-60.2	-34.3	177.1	-73.2	173.1	-14.8	0	0	113	R192 Y194	R192-Q196 WeakPolarHBondContact O-CB 3.37Å; R192-Q196 VanDerWaalsContact O-CG 3.31Å; R192-Q196 WeakPolarHBondContact O-CG 3.2Å; R192-Q196 PolarHBondContact O-N 2.77Å; Y194-Q196 PolarHBondContact O-N 2.86Å
197	K	98.4	Very high	98.6	Very high	176 Å²	176	53.9 Å²	53.9	77%	0.765	27%	0.268	S	S	*	.	H	α-helix	trans	-80.8	-37	-179.8	179.7	175.2	176.5	-179.1	0	113.2	A193 Y194 Y195	A193-K197 WeakPolarHBondContact O-CB 3.34Å; A193-K197 PolarHBondContact O-N 2.91Å; Y194-K197 PolarHBondContact O-N 2.92Å; Y195-K197 PolarHBondContact O-N 3.31Å
198	N	98.4	Very high	98.6	Very high	79 Å²	79	59 Å²	59	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-112.6	-13.6	-167.3	-58.1	-81.5	0	0	0	113.9	Y194 Y195 E200	Y194-N198 HydrophobicContact CD1-CB 4.2Å; Y194-N198 WeakPolarHBondContact CD2-ND2 3.46Å; Y194-N198 HydrophobicContact CE1-CB 3.79Å; Y194-N198 WeakPolarHBondContact CE2-ND2 3.26Å; Y194-N198 WeakPolarHBondContact O-CB 3.42Å; Y194-N198 PolarHBondContact O-N 3.07Å; Y194-N198 PolarHBondContact O-ND2 3.46Å; Y195-N198 PolarHBondContact O-N 2.72Å; N198-E200 PolarHBondContact O-N 3.06Å
199	G	97.9	Very high	98.6	Very high	54 Å²	54	61.1 Å²	61.1	56%	0.557	30%	0.299	S	S	*	.	S	Bend	trans	75.5	2.8	-178.8	0	0	0	0	0	115.3	Y195	Y195-G199 WeakPolarHBondContact O-CA 3.43Å; Y195-G199 PolarHBondContact O-N 3.48Å
200	E	97.8	Very high	98.6	Very high	97 Å²	97	54.9 Å²	54.9	45%	0.453	28%	0.275	S	S	.	.	S	Bend	trans	-135.2	147.6	-179.8	-67.4	-175.8	170.8	0	0	111.1	Y194 Y195 N198 L202	Y194-E200 WeakPolarHBondContact CD1-O 3.22Å; Y194-E200 WeakPolarHBondContact CE1-O 3.32Å; Y195-E200 VanDerWaalsContact CD2-C 3.47Å; N198-E200 PolarHBondContact O-N 3.06Å; E200-L202 PolarHBondContact O-N 3.38Å
201	P	98.8	Very high	98.6	Very high	12 Å²	12	55 Å²	55	8%	0.078	28%	0.277	C	S	.	.			trans	-64.6	135.4	179.6	-19.5	31.5	0	0	0	111.6	Y195 L203 V204 Q205 H245 S299	Y195-P201 HydrophobicContact CD2-CG 4.16Å; Y195-P201 HydrophobicContact CE2-CG 4.14Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-L203 PolarHBondContact O-N 3.09Å; P201-V204 HydrophobicContact CB-CB 4.13Å; P201-V204 HydrophobicContact CB-CG2 3.85Å; P201-V204 HydrophobicContact CG-CB 4.42Å; P201-V204 HydrophobicContact CG-CG2 4.07Å; P201-V204 PolarHBondContact O-N 3.01Å; P201-V204 VanDerWaalsContact O-N 3.15Å; P201-Q205 PolarHBondContact O-N 2.85Å; P201-Q205 VanDerWaalsContact O-N 3.12Å; P201-H245 WeakPolarHBondContact CG-NE2 3.15Å; P201-S299 WeakPolarHBondContact CG-O 3.35Å
202	L	98.9	Very high	98.6	Very high	8 Å²	8	60.7 Å²	60.7	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-51	-51	-174.5	-177	162.8	0	0	0	112.4	P21 L22 Q191 Y194 E200 Q205 Y206	P21-L202 HydrophobicContact CB-CD1 3.99Å; P21-L202 HydrophobicContact CG-CD1 4.47Å; P21-L202 HydrophobicContact CG-CD2 4.19Å; L22-L202 HydrophobicContact CD2-CD2 4.08Å; L22-L202 HydrophobicContact CG-CD2 4.49Å; Q191-L202 HydrophobicContact CG-CB 4.37Å; Q191-L202 HydrophobicContact CG-CD1 4.5Å; Y194-L202 VanDerWaalsContact CD1-CA 3.45Å; Y194-L202 HydrophobicContact CD1-CB 3.67Å; Y194-L202 HydrophobicContact CD1-CG 4.29Å; Y194-L202 HydrophobicContact CD2-CB 4.35Å; Y194-L202 HydrophobicContact CD2-CD1 4.17Å; Y194-L202 HydrophobicContact CD2-CG 4.08Å; Y194-L202 HydrophobicContact CE1-CB 4.26Å; Y194-L202 HydrophobicContact CG-CB 3.74Å; Y194-L202 HydrophobicContact CG-CD1 4.03Å; Y194-L202 HydrophobicContact CG-CG 3.95Å; E200-L202 PolarHBondContact O-N 3.38Å; L202-Q205 PolarHBondContact O-N 2.68Å; L202-Y206 WeakPolarHBondContact O-CB 3.49Å; L202-Y206 PolarHBondContact O-N 3.49Å
203	L	98.9	Very high	98.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-78.3	-23.4	-174.7	-69.4	178.2	0	0	0	113.7	L22 P201 Y206 A207 L239 Q302 H304	L22-L203 HydrophobicContact CD1-CD1 4.33Å; L22-L203 HydrophobicContact CD1-CD2 4.08Å; L22-L203 HydrophobicContact CD2-CD1 4.04Å; L22-L203 HydrophobicContact CD2-CD2 4.09Å; L22-L203 HydrophobicContact CD2-CG 4.02Å; L22-L203 HydrophobicContact CG-CD2 4.26Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-L203 PolarHBondContact O-N 3.09Å; L203-Y206 HydrophobicContact CD2-CD1 4.1Å; L203-Y206 PolarHBondContact O-N 3.48Å; L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 2.92Å; L203-L239 HydrophobicContact CD2-CD2 4.17Å; L203-Q302 HydrophobicContact CB-CB 3.77Å; L203-Q302 HydrophobicContact CB-CG 3.74Å; L203-Q302 HydrophobicContact CD1-CB 4.33Å; L203-H304 HydrophobicContact CD1-CB 4.18Å; L203-H304 WeakPolarHBondContact CD1-ND1 3.31Å
204	V	98.8	Very high	98.5	Very high	38 Å²	38	64.9 Å²	64.9	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-47.7	171.8	174	0	0	0	0	109.3	P201 Y206 A207 K208 H245 Q302	P201-V204 HydrophobicContact CB-CB 4.13Å; P201-V204 HydrophobicContact CB-CG2 3.85Å; P201-V204 HydrophobicContact CG-CB 4.42Å; P201-V204 HydrophobicContact CG-CG2 4.07Å; P201-V204 PolarHBondContact O-N 3.01Å; P201-V204 VanDerWaalsContact O-N 3.15Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 3.34Å; V204-A207 WeakPolarHBondContact O-CB 3.28Å; V204-A207 PolarHBondContact O-N 2.8Å; V204-K208 PolarHBondContact O-N 2.74Å; V204-K208 VanDerWaalsContact O-N 3.16Å; V204-H245 HydrophobicContact CG2-CB 4.03Å; V204-Q302 HydrophobicContact CG2-CB 4.44Å; V204-Q302 HydrophobicContact CG2-CG 4.25Å
205	Q	98.6	Very high	98.5	Very high	44 Å²	44	65.6 Å²	65.6	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-39.1	175.6	-179.6	62	-10.1	0	0	111.8	P201 L202 K208 Q209	P201-Q205 PolarHBondContact O-N 2.85Å; P201-Q205 VanDerWaalsContact O-N 3.12Å; L202-Q205 PolarHBondContact O-N 2.68Å; Q205-K208 PolarHBondContact O-N 3.08Å; Q205-Q209 VanDerWaalsContact O-CG 3.28Å; Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-N 3.29Å; Q205-Q209 VanDerWaalsContact O-N 3.08Å
206	Y	98.9	Very high	98.5	Very high	28 Å²	28	62.5 Å²	62.5	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-43.5	175	-178.5	-116.7	0	0	0	112.5	L202 L203 V204 K208 Q209 E210 V227 P229 Y230 W231 L239	L202-Y206 WeakPolarHBondContact O-CB 3.49Å; L202-Y206 PolarHBondContact O-N 3.49Å; L203-Y206 HydrophobicContact CD2-CD1 4.1Å; L203-Y206 PolarHBondContact O-N 3.48Å; V204-Y206 VanDerWaalsContact C-N 3.34Å; V204-Y206 PolarHBondContact O-N 3.34Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.44Å; Y206-Q209 PolarHBondContact O-N 3.25Å; Y206-E210 HydrophobicContact CD2-CG 4.22Å; Y206-E210 HydrophobicContact CE1-CG 4.02Å; Y206-E210 HydrophobicContact CE2-CG 3.64Å; Y206-E210 VanDerWaalsContact CE2-OE1 3.32Å; Y206-E210 WeakPolarHBondContact CE2-OE1 3.31Å; Y206-E210 PolarHBondContact O-N 2.76Å; Y206-E210 PolarHBondContact OH-OE1 2.93Å; Y206-V227 HydrophobicContact CE1-CG2 4.1Å; Y206-P229 VanDerWaalsContact OH-CA 3.26Å; Y206-P229 WeakPolarHBondContact OH-CA 3.41Å; Y206-Y230 PolarHBondContact OH-N 3.28Å; Y206-W231 AromaticContact CD1-CH2 3.63Å; Y206-W231 HydrophobicContact CD1-CH2 3.63Å; Y206-W231 HydrophobicContact CD1-CZ2 4.33Å; Y206-W231 HydrophobicContact CD1-CZ3 4.43Å; Y206-W231 AromaticContact CD2-CH2 3.74Å; Y206-W231 HydrophobicContact CD2-CH2 3.74Å; Y206-W231 AromaticContact CD2-CZ3 3.77Å; Y206-W231 HydrophobicContact CD2-CZ3 3.77Å; Y206-W231 AromaticContact CE1-CH2 3.48Å; Y206-W231 HydrophobicContact CE1-CH2 3.48Å; Y206-W231 VanDerWaalsContact CE1-CH2 3.48Å; Y206-W231 HydrophobicContact CE1-CZ2 4.02Å; Y206-W231 HydrophobicContact CE1-CZ3 4.1Å; Y206-W231 HydrophobicContact CE2-CE3 4.46Å; Y206-W231 AromaticContact CE2-CH2 3.64Å; Y206-W231 HydrophobicContact CE2-CH2 3.64Å; Y206-W231 AromaticContact CE2-CZ3 3.43Å; Y206-W231 HydrophobicContact CE2-CZ3 3.43Å; Y206-W231 VanDerWaalsContact CE2-CZ3 3.43Å; Y206-W231 AromaticContact CG-CH2 3.75Å; Y206-W231 HydrophobicContact CG-CH2 3.75Å; Y206-W231 HydrophobicContact CG-CZ3 4.28Å; Y206-W231 AromaticContact CZ-CH2 3.5Å; Y206-W231 VanDerWaalsContact CZ-CH2 3.5Å; Y206-W231 AromaticContact CZ-CZ3 3.61Å; Y206-L239 HydrophobicContact CD1-CD2 4.31Å; Y206-L239 HydrophobicContact CE1-CD2 4.03Å
207	A	98.6	Very high	98.5	Very high	7 Å²	7	55.8 Å²	55.8	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-45.7	176.6	0	0	0	0	0	111.6	L203 V204 E210 A211 L225 L241	L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 2.92Å; V204-A207 WeakPolarHBondContact O-CB 3.28Å; V204-A207 PolarHBondContact O-N 2.8Å; A207-E210 PolarHBondContact O-N 2.83Å; A207-A211 VanDerWaalsContact O-CB 3.28Å; A207-A211 WeakPolarHBondContact O-CB 3.45Å; A207-A211 PolarHBondContact O-N 3.02Å; A207-L225 HydrophobicContact CB-CD2 4.36Å; A207-L225 WeakPolarHBondContact O-CD2 3.45Å; A207-L241 HydrophobicContact CB-CD1 3.42Å; A207-L241 VanDerWaalsContact CB-CD1 3.42Å; A207-L241 HydrophobicContact CB-CG 4.46Å
208	K	98.4	Very high	98.5	Very high	115 Å²	115	47.7 Å²	47.7	50%	0.5	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-48.3	178.4	-174	-177.9	177.7	-177.7	0	111.2	V204 Q205 Y206 E210 A211 E212	V204-K208 PolarHBondContact O-N 2.74Å; V204-K208 VanDerWaalsContact O-N 3.16Å; Q205-K208 PolarHBondContact O-N 3.08Å; Y206-K208 VanDerWaalsContact C-N 3.3Å; Y206-K208 PolarHBondContact O-N 3.44Å; K208-E210 PolarHBondContact O-N 2.8Å; K208-A211 PolarHBondContact O-N 3.47Å; K208-E212 VanDerWaalsContact CE-OE1 3.29Å; K208-E212 WeakPolarHBondContact CE-OE1 3.18Å; K208-E212 WeakPolarHBondContact O-CG 3.21Å; K208-E212 PolarHBondContact O-N 3.5Å
209	Q	98.6	Very high	98.5	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-42.6	179	-69.1	-70.3	-28.3	0	0	112.5	Q205 Y206 E212 K213	Q205-Q209 VanDerWaalsContact O-CG 3.28Å; Q205-Q209 WeakPolarHBondContact O-CG 3.41Å; Q205-Q209 PolarHBondContact O-N 3.29Å; Q205-Q209 VanDerWaalsContact O-N 3.08Å; Y206-Q209 PolarHBondContact O-N 3.25Å; Q209-E212 PolarHBondContact O-N 3.12Å; Q209-K213 WeakPolarHBondContact O-CB 3.21Å; Q209-K213 WeakPolarHBondContact O-CG 3.35Å; Q209-K213 PolarHBondContact O-N 3.15Å
210	E	98.8	Very high	98.5	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-69.9	-37.5	177.2	-69.4	-69	-169.9	0	0	112.4	Y206 A207 K208 E212 K213 K214 R216 V217 L225 V227	Y206-E210 HydrophobicContact CD2-CG 4.22Å; Y206-E210 HydrophobicContact CE1-CG 4.02Å; Y206-E210 HydrophobicContact CE2-CG 3.64Å; Y206-E210 VanDerWaalsContact CE2-OE1 3.32Å; Y206-E210 WeakPolarHBondContact CE2-OE1 3.31Å; Y206-E210 PolarHBondContact O-N 2.76Å; Y206-E210 PolarHBondContact OH-OE1 2.93Å; A207-E210 PolarHBondContact O-N 2.83Å; K208-E210 PolarHBondContact O-N 2.8Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 3.47Å; E210-K213 PolarHBondContact O-N 2.91Å; E210-K214 PolarHBondContact O-N 3.12Å; E210-R216 IonicContact OE1-CZ 3.68Å; E210-R216 IonicContact OE1-NE 2.7Å; E210-R216 PolarHBondContact OE1-NE 2.96Å; E210-R216 IonicContact OE1-NH2 3.86Å; E210-R216 PolarHBondContact OE1-NH2 2.66Å; E210-R216 IonicContact OE2-CZ 3.37Å; E210-R216 IonicContact OE2-NE 2.72Å; E210-R216 PolarHBondContact OE2-NE 2.9Å; E210-R216 IonicContact OE2-NH2 2.69Å; E210-R216 PolarHBondContact OE2-NH2 3.16Å; E210-V217 WeakPolarHBondContact O-CG2 3.3Å; E210-L225 HydrophobicContact CB-CD2 4.17Å; E210-V227 HydrophobicContact CB-CG1 3.84Å; E210-V227 HydrophobicContact CG-CG1 4.12Å
211	A	98	Very high	98.5	Very high	16 Å²	16	42.5 Å²	42.5	13%	0.132	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-32.6	174.9	0	0	0	0	0	112.4	A207 K208 K214 L225	A207-A211 VanDerWaalsContact O-CB 3.28Å; A207-A211 WeakPolarHBondContact O-CB 3.45Å; A207-A211 PolarHBondContact O-N 3.02Å; K208-A211 PolarHBondContact O-N 3.47Å; A211-K214 WeakPolarHBondContact O-CD 3.29Å; A211-K214 WeakPolarHBondContact O-CE 3.36Å; A211-K214 PolarHBondContact O-NZ 3.25Å; A211-L225 HydrophobicContact CB-CD2 4.42Å
212	E	98.2	Very high	98.4	Very high	120 Å²	120	46.2 Å²	46.2	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-74.7	-45	174.2	-72.9	170.2	-171.9	0	0	111.9	K208 Q209 E210	K208-E212 VanDerWaalsContact CE-OE1 3.29Å; K208-E212 WeakPolarHBondContact CE-OE1 3.18Å; K208-E212 WeakPolarHBondContact O-CG 3.21Å; K208-E212 PolarHBondContact O-N 3.5Å; Q209-E212 PolarHBondContact O-N 3.12Å; E210-E212 VanDerWaalsContact C-N 3.28Å; E210-E212 PolarHBondContact O-N 3.47Å
213	K	98.1	Very high	98.4	Very high	119 Å²	119	47.8 Å²	47.8	52%	0.517	24%	0.238	S	C	.	.	H	α-helix	trans	-76.5	-28.8	-176.1	-70.1	178.5	-177	-178.3	0	114.3	Q209 E210 E215	Q209-K213 WeakPolarHBondContact O-CB 3.21Å; Q209-K213 WeakPolarHBondContact O-CG 3.35Å; Q209-K213 PolarHBondContact O-N 3.15Å; E210-K213 PolarHBondContact O-N 2.91Å; K213-E215 HydrophobicContact CB-CG 4.38Å; K213-E215 PolarHBondContact O-N 2.95Å
214	K	98.3	Very high	98.4	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	24%	0.238	S	C	.	.			trans	60.2	-21.5	179.7	-60.6	-64.8	-170.9	-173.3	0	117.4	E210 A211 R216 V217 E220 R344	E210-K214 PolarHBondContact O-N 3.12Å; A211-K214 WeakPolarHBondContact O-CD 3.29Å; A211-K214 WeakPolarHBondContact O-CE 3.36Å; A211-K214 PolarHBondContact O-NZ 3.25Å; K214-R216 VanDerWaalsContact C-N 3.27Å; K214-R216 PolarHBondContact O-N 3.48Å; K214-R216 VanDerWaalsContact O-N 3.1Å; K214-V217 HydrophobicContact CD-CG2 4.38Å; K214-V217 PolarHBondContact O-N 2.95Å; K214-V217 VanDerWaalsContact O-N 3.12Å; K214-E220 IonicContact NZ-OE1 3.24Å; K214-E220 PolarHBondContact NZ-OE1 3.26Å; K214-E220 IonicContact NZ-OE2 3.52Å; K214-E220 PolarHBondContact NZ-OE2 3.3Å; K214-R344 PolarHBondContact O-NH1 3.2Å
215	E	98	Very high	98.4	Very high	85 Å²	85	46 Å²	46	40%	0.397	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.3	-172	61.3	-177.1	162.9	0	0	114.3	K213 E337 R344	K213-E215 HydrophobicContact CB-CG 4.38Å; K213-E215 PolarHBondContact O-N 2.95Å; E215-E337 HydrophobicContact CG-CG 4.42Å; E215-R344 PolarHBondContact O-NH1 3.44Å; E215-R344 PolarHBondContact O-NH2 2.86Å
216	R	98.7	Very high	98.5	Very high	6 Å²	6	44 Å²	44	2%	0.023	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	1.9	-178.8	-78.4	172.5	-61.1	-75	-22.1	115.2	E210 K214 V218 V227 V228 P336 E337 A340	E210-R216 IonicContact OE1-CZ 3.68Å; E210-R216 IonicContact OE1-NE 2.7Å; E210-R216 PolarHBondContact OE1-NE 2.96Å; E210-R216 IonicContact OE1-NH2 3.86Å; E210-R216 PolarHBondContact OE1-NH2 2.66Å; E210-R216 IonicContact OE2-CZ 3.37Å; E210-R216 IonicContact OE2-NE 2.72Å; E210-R216 PolarHBondContact OE2-NE 2.9Å; E210-R216 IonicContact OE2-NH2 2.69Å; E210-R216 PolarHBondContact OE2-NH2 3.16Å; K214-R216 VanDerWaalsContact C-N 3.27Å; K214-R216 PolarHBondContact O-N 3.48Å; K214-R216 VanDerWaalsContact O-N 3.1Å; R216-V218 PolarHBondContact O-N 3.43Å; R216-V227 CarbonylContact O-C 3.5Å; R216-V227 VanDerWaalsContact O-CA 3.25Å; R216-V227 WeakPolarHBondContact O-CA 3.44Å; R216-V228 WeakPolarHBondContact CB-O 3.29Å; R216-V228 WeakPolarHBondContact CD-O 3.46Å; R216-V228 PolarHBondContact O-N 3.2Å; R216-P336 HydrophobicContact CG-CB 4.3Å; R216-E337 WeakPolarHBondContact CD-OE1 3.26Å; R216-E337 HydrophobicContact CG-CG 4.18Å; R216-E337 IonicContact CZ-OE1 3.1Å; R216-E337 IonicContact NE-OE1 2.77Å; R216-E337 IonicContact NH1-OE1 2.72Å; R216-E337 PolarHBondContact NH1-OE1 3.08Å; R216-A340 HydrophobicContact CB-CB 4.39Å; R216-A340 WeakPolarHBondContact O-CB 3.38Å
217	V	98.8	Very high	98.5	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.6	-178.9	177.3	0	0	0	0	111.4	E210 K214 E220 L225 V226 V227 R344	E210-V217 WeakPolarHBondContact O-CG2 3.3Å; K214-V217 HydrophobicContact CD-CG2 4.38Å; K214-V217 PolarHBondContact O-N 2.95Å; K214-V217 VanDerWaalsContact O-N 3.12Å; V217-E220 HydrophobicContact CG1-CB 4.08Å; V217-E220 HydrophobicContact CG1-CG 4.34Å; V217-L225 HydrophobicContact CB-CD1 4.45Å; V217-L225 HydrophobicContact CG1-CD1 3.72Å; V217-L225 HydrophobicContact CG2-CD1 3.93Å; V217-V226 CarbonylContact C-O 3.51Å; V217-V227 HydrophobicContact CG2-CG1 4.22Å; V217-R344 WeakPolarHBondContact O-CD 3.46Å; V217-R344 PolarHBondContact O-NH1 2.79Å
218	V	98.8	Very high	98.5	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-52.5	178.8	-176.2	0	0	0	0	111.3	R216 V226 V228 T238 L267 K270 A340 L343	R216-V218 PolarHBondContact O-N 3.43Å; V218-V226 HydrophobicContact CB-CB 4.46Å; V218-V226 HydrophobicContact CB-CG1 4.08Å; V218-V226 HydrophobicContact CG2-CG1 4.5Å; V218-V226 PolarHBondContact N-O 2.77Å; V218-V228 HydrophobicContact CG2-CG2 3.82Å; V218-T238 HydrophobicContact CG2-CG2 4.09Å; V218-L267 HydrophobicContact CG1-CD1 4.49Å; V218-K270 HydrophobicContact CG1-CD 4.45Å; V218-A340 HydrophobicContact CG2-CB 4.32Å; V218-L343 HydrophobicContact CG1-CB 3.47Å; V218-L343 VanDerWaalsContact CG1-CB 3.47Å; V218-L343 HydrophobicContact CG1-CD1 4.15Å; V218-L343 HydrophobicContact CG1-CG 4.44Å; V218-L343 HydrophobicContact CG2-CB 4.26Å; V218-L343 HydrophobicContact CG2-CD1 3.97Å
219	V	98.3	Very high	98.5	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.4	177.9	-169.1	0	0	0	0	107.7	V226 I263 Q266 K270	V219-V226 HydrophobicContact CB-CB 4.45Å; V219-V226 PolarHBondContact O-N 2.72Å; V219-I263 HydrophobicContact CB-CD1 4.4Å; V219-I263 HydrophobicContact CB-CG1 4.11Å; V219-I263 HydrophobicContact CG1-CD1 4.23Å; V219-I263 HydrophobicContact CG1-CG1 3.77Å; V219-Q266 HydrophobicContact CG1-CB 4.13Å; V219-K270 HydrophobicContact CG2-CD 3.69Å
220	E	98.4	Very high	98.5	Very high	73 Å²	73	38 Å²	38	34%	0.341	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.2	172.5	72.2	-175.4	159.3	0	0	110.8	K214 V217 L225 R243	K214-E220 IonicContact NZ-OE1 3.24Å; K214-E220 PolarHBondContact NZ-OE1 3.26Å; K214-E220 IonicContact NZ-OE2 3.52Å; K214-E220 PolarHBondContact NZ-OE2 3.3Å; V217-E220 HydrophobicContact CG1-CB 4.08Å; V217-E220 HydrophobicContact CG1-CG 4.34Å; E220-L225 HydrophobicContact CB-CD1 3.71Å; E220-R243 IonicContact OE2-CZ 3.94Å; E220-R243 IonicContact OE2-NH2 3.73Å; E220-R243 PolarHBondContact OE2-NH2 2.81Å
221	N	98.4	Very high	98.5	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.203	19%	0.189	C	C	.	.			trans	-135.8	-164.3	168	69	15	0	0	0	110.1	D223 W224 R243 S259	N221-D223 VanDerWaalsContact C-N 3.27Å; N221-D223 PolarHBondContact O-N 2.57Å; N221-D223 PolarHBondContact OD1-N 3.37Å; N221-D223 VanDerWaalsContact OD1-N 3.08Å; N221-W224 PolarHBondContact N-O 3.1Å; N221-W224 WeakPolarHBondContact OD1-CA 3.34Å; N221-W224 WeakPolarHBondContact OD1-CB 3.23Å; N221-W224 PolarHBondContact OD1-N 3.07Å; N221-R243 PolarHBondContact O-NE 3.13Å; N221-S259 PolarHBondContact ND2-O 2.84Å
222	S	96.8	Very high	98.5	Very high	91 Å²	91	37.7 Å²	37.7	64%	0.636	18%	0.183	S	C	*	.	S	Bend	trans	-55.2	-39.5	-179.1	42.9	0	0	0	0	113.3	R243	S222-R243 VanDerWaalsContact O-CD 3.31Å; S222-R243 WeakPolarHBondContact O-CD 3.27Å
223	D	98.7	Very high	98.5	Very high	41 Å²	41	32 Å²	32	22%	0.219	16%	0.157	C	C	.	.	S	Bend	trans	-117.4	-17.4	-167.2	-46.5	-64.5	0	0	0	113	N221 P242 R243 E256 S259	N221-D223 VanDerWaalsContact C-N 3.27Å; N221-D223 PolarHBondContact O-N 2.57Å; N221-D223 PolarHBondContact OD1-N 3.37Å; N221-D223 VanDerWaalsContact OD1-N 3.08Å; D223-P242 CarbonylContact O-C 3.57Å; D223-P242 VanDerWaalsContact O-CA 3.28Å; D223-P242 WeakPolarHBondContact O-CA 3.09Å; D223-R243 PolarHBondContact O-N 2.9Å; D223-E256 HydrophobicContact CB-CG 4.18Å; D223-S259 WeakPolarHBondContact CB-OG 3.34Å; D223-S259 VanDerWaalsContact OD2-CB 3.22Å; D223-S259 WeakPolarHBondContact OD2-CB 3.37Å; D223-S259 PolarHBondContact OD2-OG 3.14Å
224	W	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.8	-171.8	-63	89.9	0	0	0	113.1	N221 L240 P242 L252 E256 S259 L260 I263 W285 L303	N221-W224 PolarHBondContact N-O 3.1Å; N221-W224 WeakPolarHBondContact OD1-CA 3.34Å; N221-W224 WeakPolarHBondContact OD1-CB 3.23Å; N221-W224 PolarHBondContact OD1-N 3.07Å; W224-L240 HydrophobicContact CB-CD1 4.13Å; W224-L240 HydrophobicContact CD2-CD1 4.3Å; W224-L240 HydrophobicContact CE3-CD1 3.68Å; W224-L240 HydrophobicContact CE3-CG 4.04Å; W224-L240 HydrophobicContact CZ3-CD1 4.49Å; W224-L240 HydrophobicContact CZ3-CG 4.38Å; W224-P242 HydrophobicContact CD2-CB 4.32Å; W224-P242 HydrophobicContact CE3-CB 4.04Å; W224-P242 HydrophobicContact CE3-CG 4.45Å; W224-P242 VanDerWaalsContact CE3-N 3.34Å; W224-P242 HydrophobicContact CH2-CB 4.07Å; W224-P242 HydrophobicContact CH2-CG 4.08Å; W224-P242 HydrophobicContact CZ2-CB 4.33Å; W224-P242 HydrophobicContact CZ3-CB 3.92Å; W224-P242 HydrophobicContact CZ3-CG 3.91Å; W224-L252 HydrophobicContact CH2-CD1 4.14Å; W224-L252 HydrophobicContact CH2-CD2 3.85Å; W224-L252 HydrophobicContact CZ2-CD1 3.9Å; W224-L252 HydrophobicContact CZ2-CD2 3.56Å; W224-L252 HydrophobicContact CZ2-CG 4.4Å; W224-E256 PolarHBondContact NE1-O 2.98Å; W224-S259 VanDerWaalsContact CD1-OG 3.29Å; W224-S259 PolarHBondContact NE1-OG 2.82Å; W224-L260 HydrophobicContact CD2-CB 4.39Å; W224-L260 HydrophobicContact CD2-CD1 3.89Å; W224-L260 HydrophobicContact CE3-CD1 3.96Å; W224-L260 HydrophobicContact CH2-CD1 3.92Å; W224-L260 HydrophobicContact CH2-CD2 3.9Å; W224-L260 HydrophobicContact CH2-CG 4.34Å; W224-L260 HydrophobicContact CZ2-CB 3.72Å; W224-L260 HydrophobicContact CZ2-CD1 3.84Å; W224-L260 HydrophobicContact CZ2-CD2 3.73Å; W224-L260 HydrophobicContact CZ2-CG 3.95Å; W224-L260 HydrophobicContact CZ3-CD1 3.96Å; W224-I263 HydrophobicContact CB-CB 4.48Å; W224-I263 HydrophobicContact CB-CD1 3.63Å; W224-I263 HydrophobicContact CB-CG2 3.81Å; W224-I263 HydrophobicContact CG-CG2 4.04Å; W224-W285 HydrophobicContact CH2-CH2 4.04Å; W224-W285 HydrophobicContact CH2-CZ3 4.18Å; W224-W285 AromaticContact CZ3-CH2 3.97Å; W224-W285 HydrophobicContact CZ3-CH2 3.97Å; W224-W285 HydrophobicContact CZ3-CZ3 4.04Å; W224-L303 HydrophobicContact CH2-CD2 4.21Å
225	L	98.9	Very high	98.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.1	175.8	-175.2	67.7	0	0	0	109.5	A207 E210 A211 V217 E220 V227 L240 L241	A207-L225 HydrophobicContact CB-CD2 4.36Å; A207-L225 WeakPolarHBondContact O-CD2 3.45Å; E210-L225 HydrophobicContact CB-CD2 4.17Å; A211-L225 HydrophobicContact CB-CD2 4.42Å; V217-L225 HydrophobicContact CB-CD1 4.45Å; V217-L225 HydrophobicContact CG1-CD1 3.72Å; V217-L225 HydrophobicContact CG2-CD1 3.93Å; E220-L225 HydrophobicContact CB-CD1 3.71Å; L225-V227 HydrophobicContact CD1-CG1 4.35Å; L225-V227 HydrophobicContact CD2-CG1 3.81Å; L225-V227 HydrophobicContact CG-CG1 3.79Å; L225-L240 WeakPolarHBondContact O-CA 3.35Å; L225-L241 PolarHBondContact N-O 3.03Å; L225-L241 PolarHBondContact O-N 3.32Å
226	V	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.9	168.6	-176.9	0	0	0	0	108.9	V217 V218 V219 T238 L239 L240 I263 L267	V217-V226 CarbonylContact C-O 3.51Å; V218-V226 HydrophobicContact CB-CB 4.46Å; V218-V226 HydrophobicContact CB-CG1 4.08Å; V218-V226 HydrophobicContact CG2-CG1 4.5Å; V218-V226 PolarHBondContact N-O 2.77Å; V219-V226 HydrophobicContact CB-CB 4.45Å; V219-V226 PolarHBondContact O-N 2.72Å; V226-T238 HydrophobicContact CG1-CG2 3.91Å; V226-L239 WeakPolarHBondContact CA-O 3.32Å; V226-L240 HydrophobicContact CG2-CB 4.21Å; V226-L240 HydrophobicContact CG2-CD1 3.52Å; V226-L240 HydrophobicContact CG2-CG 4.39Å; V226-I263 HydrophobicContact CG2-CD1 3.84Å; V226-I263 HydrophobicContact CG2-CG1 3.98Å; V226-L267 HydrophobicContact CG1-CD1 3.92Å; V226-L267 HydrophobicContact CG1-CD2 3.93Å; V226-L267 HydrophobicContact CG1-CG 4.43Å; V226-L267 HydrophobicContact CG2-CD2 4.19Å
227	V	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155	175.7	-55	0	0	0	0	110.9	Y206 E210 R216 V217 L225 P229 T238 L239	Y206-V227 HydrophobicContact CE1-CG2 4.1Å; E210-V227 HydrophobicContact CB-CG1 3.84Å; E210-V227 HydrophobicContact CG-CG1 4.12Å; R216-V227 CarbonylContact O-C 3.5Å; R216-V227 VanDerWaalsContact O-CA 3.25Å; R216-V227 WeakPolarHBondContact O-CA 3.44Å; V217-V227 HydrophobicContact CG2-CG1 4.22Å; L225-V227 HydrophobicContact CD1-CG1 4.35Å; L225-V227 HydrophobicContact CD2-CG1 3.81Å; L225-V227 HydrophobicContact CG-CG1 3.79Å; V227-P229 WeakPolarHBondContact O-CD 3.44Å; V227-T238 CarbonylContact O-C 3.55Å; V227-T238 WeakPolarHBondContact O-CA 3.49Å; V227-T238 WeakPolarHBondContact O-CB 3.33Å; V227-L239 HydrophobicContact CG2-CB 4.12Å; V227-L239 PolarHBondContact N-O 3.39Å; V227-L239 PolarHBondContact O-N 3.28Å
228	V	98.9	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.			trans	-79.7	110.6	153.8	179.7	0	0	0	0	106.4	R216 V218 A232 Q237 T238 P336 A339 A340 L343	R216-V228 WeakPolarHBondContact CB-O 3.29Å; R216-V228 WeakPolarHBondContact CD-O 3.46Å; R216-V228 PolarHBondContact O-N 3.2Å; V218-V228 HydrophobicContact CG2-CG2 3.82Å; V228-A232 HydrophobicContact CG1-CB 3.85Å; V228-Q237 WeakPolarHBondContact CA-O 3.42Å; V228-Q237 WeakPolarHBondContact CG1-O 3.4Å; V228-T238 HydrophobicContact CG2-CG2 4.27Å; V228-P336 HydrophobicContact CG1-CB 3.81Å; V228-A339 HydrophobicContact CG1-CB 4.2Å; V228-A339 HydrophobicContact CG2-CB 4.18Å; V228-A340 HydrophobicContact CB-CB 4.09Å; V228-A340 HydrophobicContact CG2-CB 3.78Å; V228-L343 HydrophobicContact CG2-CD1 4.13Å
229	P	98.8	Very high	98.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.102	C	C	.	.			trans	-62.6	148.4	-171.3	22.5	-30.6	0	0	0	111.1	Y206 V227 W231 A232 Q237 L239	Y206-P229 VanDerWaalsContact OH-CA 3.26Å; Y206-P229 WeakPolarHBondContact OH-CA 3.41Å; V227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-W231 HydrophobicContact CB-CD2 4.28Å; P229-W231 HydrophobicContact CB-CZ2 4.28Å; P229-W231 PolarHBondContact O-N 2.98Å; P229-A232 HydrophobicContact CG-CB 3.89Å; P229-A232 WeakPolarHBondContact O-CB 3.47Å; P229-A232 PolarHBondContact O-N 2.85Å; P229-Q237 HydrophobicContact CG-CG 4.35Å; P229-L239 HydrophobicContact CB-CB 4.28Å; P229-L239 HydrophobicContact CG-CB 4.13Å
230	Y	98.7	Very high	98.5	Very high	92 Å²	92	19.6 Å²	19.6	36%	0.361	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.9	-178.2	178.4	-99.4	0	0	0	112.5	R18 Y206	R18-Y230 HydrophobicContact CB-CD1 4.14Å; R18-Y230 HydrophobicContact CB-CE1 3.7Å; R18-Y230 WeakPolarHBondContact CD-O 3.46Å; R18-Y230 HydrophobicContact CG-CD1 4.39Å; R18-Y230 HydrophobicContact CG-CE1 3.7Å; R18-Y230 VanDerWaalsContact NH1-CD2 3.31Å; R18-Y230 PolarHBondContact NH1-O 3.29Å; Y206-Y230 PolarHBondContact OH-N 3.28Å
231	W	98.6	Very high	98.5	Very high	11 Å²	11	16.1 Å²	16.1	4%	0.042	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	21.5	179.8	56.9	81.1	0	0	0	113.9	Y19 N20 P21 L22 Y206 P229	Y19-W231 WeakPolarHBondContact O-CB 3.37Å; N20-W231 HydrophobicContact CB-CB 3.72Å; N20-W231 HydrophobicContact CB-CG 3.75Å; N20-W231 VanDerWaalsContact ND2-CD1 3.28Å; N20-W231 PolarHBondContact OD1-NE1 3.1Å; P21-W231 HydrophobicContact CG-CD2 4.48Å; P21-W231 HydrophobicContact CG-CE3 4Å; P21-W231 HydrophobicContact CG-CH2 3.8Å; P21-W231 HydrophobicContact CG-CZ2 4.29Å; P21-W231 HydrophobicContact CG-CZ3 3.64Å; L22-W231 HydrophobicContact CD1-CZ2 4.2Å; L22-W231 HydrophobicContact CG-CZ2 4.38Å; Y206-W231 AromaticContact CD1-CH2 3.63Å; Y206-W231 HydrophobicContact CD1-CH2 3.63Å; Y206-W231 HydrophobicContact CD1-CZ2 4.33Å; Y206-W231 HydrophobicContact CD1-CZ3 4.43Å; Y206-W231 AromaticContact CD2-CH2 3.74Å; Y206-W231 HydrophobicContact CD2-CH2 3.74Å; Y206-W231 AromaticContact CD2-CZ3 3.77Å; Y206-W231 HydrophobicContact CD2-CZ3 3.77Å; Y206-W231 AromaticContact CE1-CH2 3.48Å; Y206-W231 HydrophobicContact CE1-CH2 3.48Å; Y206-W231 VanDerWaalsContact CE1-CH2 3.48Å; Y206-W231 HydrophobicContact CE1-CZ2 4.02Å; Y206-W231 HydrophobicContact CE1-CZ3 4.1Å; Y206-W231 HydrophobicContact CE2-CE3 4.46Å; Y206-W231 AromaticContact CE2-CH2 3.64Å; Y206-W231 HydrophobicContact CE2-CH2 3.64Å; Y206-W231 AromaticContact CE2-CZ3 3.43Å; Y206-W231 HydrophobicContact CE2-CZ3 3.43Å; Y206-W231 VanDerWaalsContact CE2-CZ3 3.43Å; Y206-W231 AromaticContact CG-CH2 3.75Å; Y206-W231 HydrophobicContact CG-CH2 3.75Å; Y206-W231 HydrophobicContact CG-CZ3 4.28Å; Y206-W231 AromaticContact CZ-CH2 3.5Å; Y206-W231 VanDerWaalsContact CZ-CH2 3.5Å; Y206-W231 AromaticContact CZ-CZ3 3.61Å; P229-W231 HydrophobicContact CB-CD2 4.28Å; P229-W231 HydrophobicContact CB-CZ2 4.28Å; P229-W231 PolarHBondContact O-N 2.98Å
232	A	98.6	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.			trans	-53.9	142.5	177.7	0	0	0	0	0	111.5	V228 P229 Q237 R332	V228-A232 HydrophobicContact CG1-CB 3.85Å; P229-A232 HydrophobicContact CG-CB 3.89Å; P229-A232 WeakPolarHBondContact O-CB 3.47Å; P229-A232 PolarHBondContact O-N 2.85Å; A232-Q237 HydrophobicContact CB-CB 3.8Å; A232-Q237 HydrophobicContact CB-CG 4.33Å; A232-R332 WeakPolarHBondContact O-CD 3.15Å; A232-R332 PolarHBondContact O-NH1 3.15Å
233	T	97.8	Very high	98.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	6%	0.058	C	C	.	.			trans	-111.1	-36.3	179.5	58.9	0	0	0	0	111.4	V27 Q237 E330	V27-T233 HydrophobicContact CB-CG2 4.5Å; V27-T233 HydrophobicContact CG1-CG2 4.13Å; V27-T233 HydrophobicContact CG2-CG2 3.53Å; T233-Q237 PolarHBondContact OG1-OE1 3.34Å; T233-E330 HydrophobicContact CG2-CB 3.8Å; T233-E330 HydrophobicContact CG2-CG 4.06Å; T233-E330 WeakPolarHBondContact CG2-OE2 3.48Å
234	W	98.1	Very high	98.6	Very high	52 Å²	52	17.1 Å²	17.1	20%	0.197	7%	0.067	C	C	.	.	S	Bend	trans	-78.6	152.3	171.2	-64.3	86.8	0	0	0	111.6	Y236 Q237 Y308 P310 M321 R332	W234-Y236 PolarHBondContact O-N 3.31Å; W234-Q237 HydrophobicContact CB-CB 3.96Å; W234-Q237 PolarHBondContact O-N 3.01Å; W234-Y308 AromaticContact CD1-CD1 3.41Å; W234-Y308 VanDerWaalsContact CD1-CD1 3.41Å; W234-Y308 AromaticContact CD1-CG 3.86Å; W234-Y308 HydrophobicContact CG-CD1 4.3Å; W234-Y308 AromaticContact NE1-CD1 3.87Å; W234-Y308 AromaticContact NE1-CG 3.93Å; W234-P310 HydrophobicContact CE3-CB 4.39Å; W234-P310 HydrophobicContact CZ3-CB 3.88Å; W234-M321 HydrophobicContact CD2-CE 3.49Å; W234-M321 VanDerWaalsContact CD2-CE 3.49Å; W234-M321 HydrophobicContact CD2-SD 4.33Å; W234-M321 HydrophobicContact CE3-CE 4.07Å; W234-M321 HydrophobicContact CG-CE 3.68Å; W234-M321 HydrophobicContact CH2-CE 4.45Å; W234-M321 HydrophobicContact CH2-CG 4.27Å; W234-M321 HydrophobicContact CH2-SD 4.14Å; W234-M321 HydrophobicContact CZ2-CE 3.92Å; W234-M321 HydrophobicContact CZ2-CG 4.33Å; W234-M321 HydrophobicContact CZ2-SD 3.61Å; W234-R332 PolarHBondContact O-NH1 2.86Å
235	P	96.6	Very high	98.6	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.019	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-52.6	-169.5	-27.2	36.9	0	0	0	113.3	L312 K319 R332 A339	P235-L312 HydrophobicContact CB-CB 4.42Å; P235-L312 HydrophobicContact CB-CD1 3.6Å; P235-L312 HydrophobicContact CG-CB 3.99Å; P235-L312 HydrophobicContact CG-CD1 3.67Å; P235-L312 HydrophobicContact CG-CG 4.37Å; P235-K319 HydrophobicContact CG-CB 3.72Å; P235-K319 HydrophobicContact CG-CD 4.04Å; P235-K319 HydrophobicContact CG-CG 4.5Å; P235-R332 PolarHBondContact O-NH2 3.28Å; P235-A339 VanDerWaalsContact O-CB 3.27Å; P235-A339 WeakPolarHBondContact O-CB 3.4Å
236	Y	98.4	Very high	98.5	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	32.7	179.5	-61.4	-78.2	0	0	0	111.1	W234 T238 Y271 L274 F275 F279 P309 L311 L312 L334 A339 K342 L343	W234-Y236 PolarHBondContact O-N 3.31Å; Y236-T238 PolarHBondContact O-N 3.31Å; Y236-Y271 WeakPolarHBondContact O-CE1 3.48Å; Y236-Y271 PolarHBondContact O-OH 3.36Å; Y236-L274 HydrophobicContact CD1-CD2 3.81Å; Y236-L274 HydrophobicContact CD2-CD2 3.62Å; Y236-L274 HydrophobicContact CE1-CD1 4.24Å; Y236-L274 HydrophobicContact CE1-CD2 3.8Å; Y236-L274 HydrophobicContact CE2-CD2 3.62Å; Y236-L274 HydrophobicContact CG-CD2 3.72Å; Y236-F275 HydrophobicContact CE2-CE2 4.16Å; Y236-F275 AromaticContact CE2-CZ 3.92Å; Y236-F275 HydrophobicContact CE2-CZ 3.92Å; Y236-F279 HydrophobicContact CD2-CZ 4.36Å; Y236-P309 WeakPolarHBondContact O-CG 3.47Å; Y236-L311 WeakPolarHBondContact CD2-O 3.21Å; Y236-L312 WeakPolarHBondContact CE2-O 3.35Å; Y236-L334 HydrophobicContact CE1-CD2 3.89Å; Y236-A339 HydrophobicContact CD1-CB 3.96Å; Y236-A339 HydrophobicContact CE1-CB 4.28Å; Y236-K342 HydrophobicContact CE1-CB 4.21Å; Y236-K342 HydrophobicContact CE1-CD 3.99Å; Y236-K342 WeakPolarHBondContact OH-CD 3.43Å; Y236-K342 PolarHBondContact OH-NZ 2.88Å; Y236-L343 HydrophobicContact CD1-CD1 4.2Å; Y236-L343 HydrophobicContact CD1-CD2 4.18Å; Y236-L343 HydrophobicContact CD1-CG 3.96Å
237	Q	98.8	Very high	98.5	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.028	9%	0.09	C	C	.	.			trans	-52.9	138.3	175.5	-171.8	174.5	-33.2	0	0	111	V228 P229 A232 T233 W234 Y307 Y308	V228-Q237 WeakPolarHBondContact CA-O 3.42Å; V228-Q237 WeakPolarHBondContact CG1-O 3.4Å; P229-Q237 HydrophobicContact CG-CG 4.35Å; A232-Q237 HydrophobicContact CB-CB 3.8Å; A232-Q237 HydrophobicContact CB-CG 4.33Å; T233-Q237 PolarHBondContact OG1-OE1 3.34Å; W234-Q237 HydrophobicContact CB-CB 3.96Å; W234-Q237 PolarHBondContact O-N 3.01Å; Q237-Y307 WeakPolarHBondContact CA-O 3.32Å; Q237-Y307 VanDerWaalsContact CG-O 3.31Å; Q237-Y307 WeakPolarHBondContact CG-O 3.47Å; Q237-Y308 HydrophobicContact CG-CD1 3.87Å; Q237-Y308 HydrophobicContact CG-CE1 4.07Å
238	T	98.9	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151	169.2	58	0	0	0	0	112.4	V218 V226 V227 V228 Y236 L267 Y271 Y307 L343	V218-T238 HydrophobicContact CG2-CG2 4.09Å; V226-T238 HydrophobicContact CG1-CG2 3.91Å; V227-T238 CarbonylContact O-C 3.55Å; V227-T238 WeakPolarHBondContact O-CA 3.49Å; V227-T238 WeakPolarHBondContact O-CB 3.33Å; V228-T238 HydrophobicContact CG2-CG2 4.27Å; Y236-T238 PolarHBondContact O-N 3.31Å; T238-L267 HydrophobicContact CG2-CD1 4.17Å; T238-Y271 WeakPolarHBondContact CB-OH 3.2Å; T238-Y271 VanDerWaalsContact CG2-OH 3.26Å; T238-Y271 WeakPolarHBondContact CG2-OH 3.48Å; T238-Y271 PolarHBondContact N-OH 3.31Å; T238-Y271 PolarHBondContact OG1-OH 2.97Å; T238-Y307 PolarHBondContact N-O 2.81Å; T238-Y307 PolarHBondContact O-N 3.36Å; T238-Y307 WeakPolarHBondContact OG1-CB 3.48Å; T238-L343 HydrophobicContact CG2-CD1 4.12Å
239	L	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.2	168.7	-174.7	71.6	0	0	0	107.3	L203 Y206 V226 V227 P229 L241 H304 A305	L203-L239 HydrophobicContact CD2-CD2 4.17Å; Y206-L239 HydrophobicContact CD1-CD2 4.31Å; Y206-L239 HydrophobicContact CE1-CD2 4.03Å; V226-L239 WeakPolarHBondContact CA-O 3.32Å; V227-L239 HydrophobicContact CG2-CB 4.12Å; V227-L239 PolarHBondContact N-O 3.39Å; V227-L239 PolarHBondContact O-N 3.28Å; P229-L239 HydrophobicContact CB-CB 4.28Å; P229-L239 HydrophobicContact CG-CB 4.13Å; L239-L241 HydrophobicContact CB-CD2 4.45Å; L239-L241 HydrophobicContact CD2-CD2 3.84Å; L239-L241 HydrophobicContact CG-CD2 3.8Å; L239-H304 HydrophobicContact CD1-CB 4.02Å; L239-A305 WeakPolarHBondContact CA-O 3.15Å
240	L	98.9	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.5	174.6	166.4	64.7	0	0	0	108.1	W224 L225 V226 L260 I263 M264 W285 H304 A305 Y307	W224-L240 HydrophobicContact CB-CD1 4.13Å; W224-L240 HydrophobicContact CD2-CD1 4.3Å; W224-L240 HydrophobicContact CE3-CD1 3.68Å; W224-L240 HydrophobicContact CE3-CG 4.04Å; W224-L240 HydrophobicContact CZ3-CD1 4.49Å; W224-L240 HydrophobicContact CZ3-CG 4.38Å; L225-L240 WeakPolarHBondContact O-CA 3.35Å; V226-L240 HydrophobicContact CG2-CB 4.21Å; V226-L240 HydrophobicContact CG2-CD1 3.52Å; V226-L240 HydrophobicContact CG2-CG 4.39Å; L240-L260 HydrophobicContact CD2-CD1 3.73Å; L240-L260 HydrophobicContact CG-CD1 4.44Å; L240-I263 HydrophobicContact CD1-CG2 3.91Å; L240-M264 HydrophobicContact CD2-CG 3.95Å; L240-W285 HydrophobicContact CD2-CH2 4.13Å; L240-H304 CarbonylContact O-C 3.57Å; L240-H304 VanDerWaalsContact O-CA 3.29Å; L240-H304 WeakPolarHBondContact O-CA 3.39Å; L240-A305 HydrophobicContact CB-CB 4.28Å; L240-A305 HydrophobicContact CD2-CB 4.48Å; L240-A305 PolarHBondContact N-O 3Å; L240-A305 PolarHBondContact O-N 3.4Å; L240-Y307 HydrophobicContact CB-CE2 4.3Å; L240-Y307 HydrophobicContact CD2-CE2 4.31Å
241	L	98.8	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	149.6	-178.8	58.6	150.8	0	0	0	111.5	A207 L225 L239 H304	A207-L241 HydrophobicContact CB-CD1 3.42Å; A207-L241 VanDerWaalsContact CB-CD1 3.42Å; A207-L241 HydrophobicContact CB-CG 4.46Å; L225-L241 PolarHBondContact N-O 3.03Å; L225-L241 PolarHBondContact O-N 3.32Å; L239-L241 HydrophobicContact CB-CD2 4.45Å; L239-L241 HydrophobicContact CD2-CD2 3.84Å; L239-L241 HydrophobicContact CG-CD2 3.8Å; L241-H304 HydrophobicContact CB-CB 4.08Å
242	P	98.8	Very high	98.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	152.6	173	23.9	-18.2	0	0	0	110	D223 W224 I246 Q302 L303	D223-P242 CarbonylContact O-C 3.57Å; D223-P242 VanDerWaalsContact O-CA 3.28Å; D223-P242 WeakPolarHBondContact O-CA 3.09Å; W224-P242 HydrophobicContact CD2-CB 4.32Å; W224-P242 HydrophobicContact CE3-CB 4.04Å; W224-P242 HydrophobicContact CE3-CG 4.45Å; W224-P242 VanDerWaalsContact CE3-N 3.34Å; W224-P242 HydrophobicContact CH2-CB 4.07Å; W224-P242 HydrophobicContact CH2-CG 4.08Å; W224-P242 HydrophobicContact CZ2-CB 4.33Å; W224-P242 HydrophobicContact CZ3-CB 3.92Å; W224-P242 HydrophobicContact CZ3-CG 3.91Å; P242-I246 HydrophobicContact CB-CD1 3.67Å; P242-I246 HydrophobicContact CB-CG1 4.27Å; P242-I246 HydrophobicContact CG-CB 4.05Å; P242-I246 HydrophobicContact CG-CD1 3.82Å; P242-I246 HydrophobicContact CG-CG1 4.07Å; P242-Q302 PolarHBondContact O-NE2 3.07Å; P242-L303 WeakPolarHBondContact CD-O 3.26Å; P242-L303 HydrophobicContact CG-CB 4.34Å; P242-L303 HydrophobicContact CG-CD2 4.5Å
243	R	98.3	Very high	98.5	Very high	86 Å²	86	27.4 Å²	27.4	33%	0.325	12%	0.124	S	C	.	.	S	Bend	trans	-78	-32.4	174.6	-67.7	177	177.8	-85	4.8	111.5	E220 N221 S222 D223	E220-R243 IonicContact OE2-CZ 3.94Å; E220-R243 IonicContact OE2-NH2 3.73Å; E220-R243 PolarHBondContact OE2-NH2 2.81Å; N221-R243 PolarHBondContact O-NE 3.13Å; S222-R243 VanDerWaalsContact O-CD 3.31Å; S222-R243 WeakPolarHBondContact O-CD 3.27Å; D223-R243 PolarHBondContact O-N 2.9Å
244	R	98.3	Very high	98.5	Very high	104 Å²	104	32.7 Å²	32.7	39%	0.392	16%	0.156	S	C	.	.	S	Bend	trans	-74.8	150.1	170.3	-172.4	174.1	64.3	88.2	-10.5	109.7	I246 E251 E256 Q302	R244-I246 HydrophobicContact CB-CD1 4.29Å; R244-I246 HydrophobicContact CB-CG1 4.16Å; R244-I246 HydrophobicContact CG-CG1 4.31Å; R244-I246 PolarHBondContact O-N 3.47Å; R244-E251 PolarHBondContact NH2-O 3.31Å; R244-E256 IonicContact CZ-OE1 3.19Å; R244-E256 IonicContact CZ-OE2 2.8Å; R244-E256 IonicContact NE-OE1 3.52Å; R244-E256 PolarHBondContact NE-OE1 2.97Å; R244-E256 IonicContact NE-OE2 2.67Å; R244-E256 IonicContact NH2-OE1 3.74Å; R244-E256 PolarHBondContact NH2-OE1 3.17Å; R244-E256 IonicContact NH2-OE2 3.61Å; R244-E256 PolarHBondContact NH2-OE2 2.83Å; R244-Q302 PolarHBondContact O-NE2 3.4Å
245	H	98.8	Very high	98.6	Very high	72 Å²	72	36.2 Å²	36.2	33%	0.333	18%	0.175	S	C	.	.			trans	-70.5	115	169	-174.9	-155.7	0	0	0	109.7	P201 V204 L247 S299 W301 Q302	P201-H245 WeakPolarHBondContact CG-NE2 3.15Å; V204-H245 HydrophobicContact CG2-CB 4.03Å; H245-L247 WeakPolarHBondContact NE2-CD2 3.49Å; H245-S299 PolarHBondContact CE1-O 2.91Å; H245-S299 PolarHBondContact NE2-O 2.93Å; H245-S299 VanDerWaalsContact NE2-O 3.12Å; H245-W301 PolarHBondContact CD2-O 2.81Å; H245-W301 PolarHBondContact NE2-O 2.85Å; H245-Q302 PolarHBondContact CD2-OE1 3.41Å
246	I	98.7	Very high	98.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.176	C	C	.	.			trans	-138.5	128	-175.2	-54.7	-175.3	0	0	0	107.3	P242 R244 R248 E251 L252 E256 Q302 L303	P242-I246 HydrophobicContact CB-CD1 3.67Å; P242-I246 HydrophobicContact CB-CG1 4.27Å; P242-I246 HydrophobicContact CG-CB 4.05Å; P242-I246 HydrophobicContact CG-CD1 3.82Å; P242-I246 HydrophobicContact CG-CG1 4.07Å; R244-I246 HydrophobicContact CB-CD1 4.29Å; R244-I246 HydrophobicContact CB-CG1 4.16Å; R244-I246 HydrophobicContact CG-CG1 4.31Å; R244-I246 PolarHBondContact O-N 3.47Å; I246-R248 VanDerWaalsContact CG2-O 3.29Å; I246-R248 WeakPolarHBondContact CG2-O 3.26Å; I246-E251 HydrophobicContact CG2-CB 4.01Å; I246-L252 HydrophobicContact CD1-CD2 3.5Å; I246-L252 VanDerWaalsContact CD1-CD2 3.5Å; I246-L252 HydrophobicContact CG2-CD2 4.2Å; I246-E256 WeakPolarHBondContact CD1-OE1 3.39Å; I246-Q302 CarbonylContact O-C 3.58Å; I246-Q302 PolarHBondContact O-OE1 3.12Å; I246-L303 HydrophobicContact CB-CB 4.38Å; I246-L303 HydrophobicContact CG2-CB 4.34Å; I246-L303 HydrophobicContact CG2-CD2 4.1Å; I246-L303 WeakPolarHBondContact O-CB 3.17Å; I246-L303 PolarHBondContact O-N 3.09Å
247	L	98.8	Very high	98.7	Very high	32 Å²	32	38.8 Å²	38.8	17%	0.168	18%	0.184	C	C	.	.	S	Bend	trans	-84.8	-37.5	-176.2	-54.7	-172.3	0	0	0	111.6	H245 E251 G287 A288 N298 W301	H245-L247 WeakPolarHBondContact NE2-CD2 3.49Å; L247-E251 WeakPolarHBondContact CB-OE2 3.14Å; L247-E251 PolarHBondContact N-OE2 3.42Å; L247-E251 VanDerWaalsContact N-OE2 3.08Å; L247-G287 CarbonylContact O-C 3.6Å; L247-G287 WeakPolarHBondContact O-CA 3.5Å; L247-A288 HydrophobicContact CB-CB 3.95Å; L247-A288 PolarHBondContact O-N 3.37Å; L247-N298 HydrophobicContact CD1-CB 4.27Å; L247-N298 WeakPolarHBondContact CD2-O 3.5Å; L247-W301 HydrophobicContact CD2-CB 4.29Å; L247-W301 VanDerWaalsContact CD2-O 3.23Å; L247-W301 WeakPolarHBondContact CD2-O 3.38Å
248	R	98.8	Very high	98.7	Very high	21 Å²	21	41.3 Å²	41.3	8%	0.079	20%	0.198	C	C	.	.	S	Bend	trans	-143.1	157.1	-170.6	-60.5	-174.8	-169.8	83.5	-2.3	112.6	L143 I246 N250 E251 A288 P289	L143-R248 HydrophobicContact CD2-CB 3.97Å; I246-R248 VanDerWaalsContact CG2-O 3.29Å; I246-R248 WeakPolarHBondContact CG2-O 3.26Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 WeakPolarHBondContact CB-OD1 3.02Å; R248-N250 PolarHBondContact O-N 3.01Å; R248-E251 HydrophobicContact CB-CG 4.34Å; R248-E251 IonicContact NH1-OE1 3.18Å; R248-E251 PolarHBondContact NH1-OE1 3.26Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.3Å; R248-E251 VanDerWaalsContact O-N 3.11Å; R248-A288 HydrophobicContact CG-CB 4.09Å; R248-A288 PolarHBondContact NE-O 2.75Å; R248-P289 PolarHBondContact NE-O 3.33Å; R248-P289 PolarHBondContact NH2-O 2.98Å
249	I	98.6	Very high	98.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-67.2	-25.7	-175	-154.9	174.8	0	0	0	113.3	W139 A140 L143 E251 L252 W285 L303	W139-I249 HydrophobicContact CB-CD1 4.08Å; W139-I249 HydrophobicContact CE3-CD1 3.99Å; A140-I249 HydrophobicContact CB-CG2 4.42Å; L143-I249 HydrophobicContact CB-CG2 4.28Å; L143-I249 HydrophobicContact CD2-CG2 3.68Å; I249-E251 PolarHBondContact O-N 3.46Å; I249-L252 HydrophobicContact CG1-CD1 3.71Å; I249-L252 HydrophobicContact CG1-CG 4.46Å; I249-L252 VanDerWaalsContact O-CG 3.27Å; I249-L252 WeakPolarHBondContact O-CG 3.23Å; I249-L252 PolarHBondContact O-N 2.89Å; I249-W285 HydrophobicContact CD1-CD2 3.84Å; I249-W285 HydrophobicContact CD1-CE3 4.3Å; I249-W285 HydrophobicContact CD1-CG 4.17Å; I249-W285 HydrophobicContact CD1-CZ2 4.13Å; I249-L303 HydrophobicContact CB-CD1 4.1Å; I249-L303 HydrophobicContact CB-CD2 4.18Å; I249-L303 HydrophobicContact CG1-CD2 4.27Å
250	N	98.3	Very high	98.7	Very high	53 Å²	53	41.8 Å²	41.8	28%	0.283	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-74.9	-10.9	176.3	65.5	-48.1	0	0	0	113.3	A140 L143 R248	A140-N250 HydrophobicContact CB-CB 4.12Å; L143-N250 WeakPolarHBondContact CD2-OD1 3.45Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 WeakPolarHBondContact CB-OD1 3.02Å; R248-N250 PolarHBondContact O-N 3.01Å
251	E	98.5	Very high	98.7	Very high	71 Å²	71	41.8 Å²	41.8	33%	0.332	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-90.4	1.9	177.2	-60.1	168.3	-159.3	0	0	113.2	R244 I246 L247 R248 I249	R244-E251 PolarHBondContact NH2-O 3.31Å; I246-E251 HydrophobicContact CG2-CB 4.01Å; L247-E251 WeakPolarHBondContact CB-OE2 3.14Å; L247-E251 PolarHBondContact N-OE2 3.42Å; L247-E251 VanDerWaalsContact N-OE2 3.08Å; R248-E251 HydrophobicContact CB-CG 4.34Å; R248-E251 IonicContact NH1-OE1 3.18Å; R248-E251 PolarHBondContact NH1-OE1 3.26Å; R248-E251 WeakPolarHBondContact O-CB 3.48Å; R248-E251 PolarHBondContact O-N 3.3Å; R248-E251 VanDerWaalsContact O-N 3.11Å; I249-E251 PolarHBondContact O-N 3.46Å
252	L	98.8	Very high	98.7	Very high	8 Å²	8	43 Å²	43	4%	0.042	21%	0.212	C	C	.	.			trans	-68.3	133.8	174.4	-64.9	178.5	0	0	0	110.9	I136 W224 I246 I249 E256 R257 L260 L303	I136-L252 HydrophobicContact CG2-CD1 4.49Å; W224-L252 HydrophobicContact CH2-CD1 4.14Å; W224-L252 HydrophobicContact CH2-CD2 3.85Å; W224-L252 HydrophobicContact CZ2-CD1 3.9Å; W224-L252 HydrophobicContact CZ2-CD2 3.56Å; W224-L252 HydrophobicContact CZ2-CG 4.4Å; I246-L252 HydrophobicContact CD1-CD2 3.5Å; I246-L252 VanDerWaalsContact CD1-CD2 3.5Å; I246-L252 HydrophobicContact CG2-CD2 4.2Å; I249-L252 HydrophobicContact CG1-CD1 3.71Å; I249-L252 HydrophobicContact CG1-CG 4.46Å; I249-L252 VanDerWaalsContact O-CG 3.27Å; I249-L252 WeakPolarHBondContact O-CG 3.23Å; I249-L252 PolarHBondContact O-N 2.89Å; L252-E256 WeakPolarHBondContact CA-OE2 3.41Å; L252-E256 HydrophobicContact CB-CB 4.35Å; L252-E256 HydrophobicContact CD2-CB 4.18Å; L252-R257 HydrophobicContact CB-CG 3.74Å; L252-R257 HydrophobicContact CD1-CG 4.18Å; L252-R257 PolarHBondContact O-NE 2.82Å; L252-L260 HydrophobicContact CD1-CD2 3.87Å; L252-L303 HydrophobicContact CD2-CD2 4.09Å; L252-L303 HydrophobicContact CG-CD2 4.35Å
253	T	98.8	Very high	98.7	Very high	58 Å²	58	43 Å²	43	36%	0.356	21%	0.211	S	C	.	.			trans	-70.6	167.4	169.7	81.7	0	0	0	0	111.3	E255 E256 R257	T253-E255 VanDerWaalsContact C-N 3.26Å; T253-E255 WeakPolarHBondContact CB-OE2 3.12Å; T253-E255 PolarHBondContact O-N 3.26Å; T253-E255 PolarHBondContact OG1-N 3.23Å; T253-E255 PolarHBondContact OG1-OE2 2.99Å; T253-E256 PolarHBondContact N-OE2 2.75Å; T253-E256 PolarHBondContact O-N 3.34Å; T253-E256 PolarHBondContact OG1-N 3.32Å; T253-R257 WeakPolarHBondContact O-CG 3.44Å; T253-R257 PolarHBondContact O-N 3.24Å
254	V	98.3	Very high	98.7	Very high	114 Å²	114	38.9 Å²	38.9	69%	0.691	20%	0.196	S	C	*	.	H	α-helix	trans	-58.9	-41.8	177.4	176.2	0	0	0	0	111	R257 D258	V254-R257 PolarHBondContact O-N 2.69Å; V254-D258 PolarHBondContact O-N 3.31Å
255	E	98.6	Very high	98.7	Very high	125 Å²	125	37 Å²	37	58%	0.584	19%	0.191	S	C	*	.	H	α-helix	trans	-65	-42	178.4	-59.2	71	-154.2	0	0	111.4	T253 R257 D258 S259	T253-E255 VanDerWaalsContact C-N 3.26Å; T253-E255 WeakPolarHBondContact CB-OE2 3.12Å; T253-E255 PolarHBondContact O-N 3.26Å; T253-E255 PolarHBondContact OG1-N 3.23Å; T253-E255 PolarHBondContact OG1-OE2 2.99Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 2.92Å; E255-D258 PolarHBondContact O-N 2.94Å; E255-S259 PolarHBondContact O-N 3.09Å; E255-S259 PolarHBondContact O-OG 3.02Å
256	E	98.8	Very high	98.7	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-31.4	177.7	-67.6	174.1	147.6	0	0	112.4	D223 W224 R244 I246 L252 T253 S259 L260	D223-E256 HydrophobicContact CB-CG 4.18Å; W224-E256 PolarHBondContact NE1-O 2.98Å; R244-E256 IonicContact CZ-OE1 3.19Å; R244-E256 IonicContact CZ-OE2 2.8Å; R244-E256 IonicContact NE-OE1 3.52Å; R244-E256 PolarHBondContact NE-OE1 2.97Å; R244-E256 IonicContact NE-OE2 2.67Å; R244-E256 IonicContact NH2-OE1 3.74Å; R244-E256 PolarHBondContact NH2-OE1 3.17Å; R244-E256 IonicContact NH2-OE2 3.61Å; R244-E256 PolarHBondContact NH2-OE2 2.83Å; I246-E256 WeakPolarHBondContact CD1-OE1 3.39Å; L252-E256 WeakPolarHBondContact CA-OE2 3.41Å; L252-E256 HydrophobicContact CB-CB 4.35Å; L252-E256 HydrophobicContact CD2-CB 4.18Å; T253-E256 PolarHBondContact N-OE2 2.75Å; T253-E256 PolarHBondContact O-N 3.34Å; T253-E256 PolarHBondContact OG1-N 3.32Å; E256-S259 PolarHBondContact O-OG 2.81Å; E256-L260 WeakPolarHBondContact O-CB 3.24Å; E256-L260 PolarHBondContact O-N 2.93Å
257	R	98.8	Very high	98.7	Very high	48 Å²	48	36.2 Å²	36.2	18%	0.181	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-40.5	172.5	-66.6	-179.5	-165.5	-162	-0.3	111.8	I136 D137 L252 T253 V254 E255 L260 A261	I136-R257 HydrophobicContact CG2-CB 4.16Å; I136-R257 HydrophobicContact CG2-CG 3.9Å; D137-R257 WeakPolarHBondContact OD1-CD 3.42Å; D137-R257 IonicContact OD1-CZ 3.55Å; D137-R257 IonicContact OD1-NE 3.93Å; D137-R257 IonicContact OD1-NH1 2.67Å; D137-R257 PolarHBondContact OD1-NH1 2.9Å; L252-R257 HydrophobicContact CB-CG 3.74Å; L252-R257 HydrophobicContact CD1-CG 4.18Å; L252-R257 PolarHBondContact O-NE 2.82Å; T253-R257 WeakPolarHBondContact O-CG 3.44Å; T253-R257 PolarHBondContact O-N 3.24Å; V254-R257 PolarHBondContact O-N 2.69Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 2.92Å; R257-L260 PolarHBondContact O-N 3.47Å; R257-A261 PolarHBondContact O-N 3.24Å
258	D	98.8	Very high	98.7	Very high	59 Å²	59	34.7 Å²	34.7	32%	0.316	18%	0.179	S	C	.	.	H	α-helix	trans	-62.7	-47.2	175	-175.7	80.7	0	0	0	111.5	K129 I133 V254 E255 L260 A261 A262	K129-D258 WeakPolarHBondContact CE-OD1 3.4Å; K129-D258 IonicContact NZ-OD1 3.24Å; K129-D258 PolarHBondContact NZ-OD1 2.84Å; K129-D258 IonicContact NZ-OD2 3.6Å; K129-D258 PolarHBondContact NZ-OD2 3.3Å; I133-D258 HydrophobicContact CD1-CB 4.26Å; I133-D258 VanDerWaalsContact CD1-OD1 3.32Å; I133-D258 WeakPolarHBondContact CD1-OD1 3.37Å; V254-D258 PolarHBondContact O-N 3.31Å; E255-D258 PolarHBondContact O-N 2.94Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.78Å; D258-A261 WeakPolarHBondContact O-CB 3.28Å; D258-A261 PolarHBondContact O-N 3.35Å; D258-A262 PolarHBondContact O-N 3.11Å; D258-A262 VanDerWaalsContact O-N 3.09Å
259	S	98.7	Very high	98.7	Very high	10 Å²	10	33.9 Å²	33.9	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-28	179	72.4	0	0	0	0	112.3	N221 D223 W224 E255 E256 A262 I263	N221-S259 PolarHBondContact ND2-O 2.84Å; D223-S259 WeakPolarHBondContact CB-OG 3.34Å; D223-S259 VanDerWaalsContact OD2-CB 3.22Å; D223-S259 WeakPolarHBondContact OD2-CB 3.37Å; D223-S259 PolarHBondContact OD2-OG 3.14Å; W224-S259 VanDerWaalsContact CD1-OG 3.29Å; W224-S259 PolarHBondContact NE1-OG 2.82Å; E255-S259 PolarHBondContact O-N 3.09Å; E255-S259 PolarHBondContact O-OG 3.02Å; E256-S259 PolarHBondContact O-OG 2.81Å; S259-A262 PolarHBondContact O-N 3.21Å; S259-I263 PolarHBondContact O-N 3.4Å
260	L	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-47.2	169.3	178.6	55.5	0	0	0	111.5	I136 W224 L240 L252 E256 R257 D258 A262 I263 M264 W285	I136-L260 HydrophobicContact CD1-CB 3.98Å; I136-L260 HydrophobicContact CD1-CD2 3.84Å; I136-L260 HydrophobicContact CD1-CG 3.68Å; I136-L260 HydrophobicContact CG1-CD2 4.01Å; I136-L260 HydrophobicContact CG1-CG 4.33Å; I136-L260 HydrophobicContact CG2-CD2 3.93Å; W224-L260 HydrophobicContact CD2-CB 4.39Å; W224-L260 HydrophobicContact CD2-CD1 3.89Å; W224-L260 HydrophobicContact CE3-CD1 3.96Å; W224-L260 HydrophobicContact CH2-CD1 3.92Å; W224-L260 HydrophobicContact CH2-CD2 3.9Å; W224-L260 HydrophobicContact CH2-CG 4.34Å; W224-L260 HydrophobicContact CZ2-CB 3.72Å; W224-L260 HydrophobicContact CZ2-CD1 3.84Å; W224-L260 HydrophobicContact CZ2-CD2 3.73Å; W224-L260 HydrophobicContact CZ2-CG 3.95Å; W224-L260 HydrophobicContact CZ3-CD1 3.96Å; L240-L260 HydrophobicContact CD2-CD1 3.73Å; L240-L260 HydrophobicContact CG-CD1 4.44Å; L252-L260 HydrophobicContact CD1-CD2 3.87Å; E256-L260 WeakPolarHBondContact O-CB 3.24Å; E256-L260 PolarHBondContact O-N 2.93Å; R257-L260 PolarHBondContact O-N 3.47Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 2.78Å; L260-A262 VanDerWaalsContact C-N 3.28Å; L260-A262 PolarHBondContact O-N 3.48Å; L260-I263 HydrophobicContact CD1-CG2 4.28Å; L260-I263 WeakPolarHBondContact O-CG2 3.38Å; L260-I263 PolarHBondContact O-N 3.43Å; L260-M264 HydrophobicContact CD1-CG 3.84Å; L260-M264 HydrophobicContact CD1-SD 3.76Å; L260-M264 HydrophobicContact CD2-SD 4.41Å; L260-M264 HydrophobicContact CG-CG 4.35Å; L260-M264 HydrophobicContact CG-SD 3.8Å; L260-M264 WeakPolarHBondContact O-CB 3.3Å; L260-M264 VanDerWaalsContact O-CG 3.32Å; L260-M264 WeakPolarHBondContact O-CG 3.38Å; L260-M264 PolarHBondContact O-N 2.98Å; L260-W285 HydrophobicContact CD1-CH2 3.8Å; L260-W285 HydrophobicContact CD1-CZ2 4.18Å; L260-W285 HydrophobicContact CD2-CH2 3.79Å; L260-W285 HydrophobicContact CD2-CZ2 3.91Å; L260-W285 HydrophobicContact CG-CH2 4.46Å
261	A	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.8	-43	177.4	0	0	0	0	0	111.5	K129 I132 I133 I136 R257 D258 K265	K129-A261 HydrophobicContact CG-CB 3.86Å; I132-A261 HydrophobicContact CB-CB 3.96Å; I132-A261 HydrophobicContact CG2-CB 3.76Å; I133-A261 HydrophobicContact CD1-CB 4.5Å; I133-A261 HydrophobicContact CG1-CB 3.57Å; I136-A261 HydrophobicContact CD1-CB 3.82Å; R257-A261 PolarHBondContact O-N 3.24Å; D258-A261 WeakPolarHBondContact O-CB 3.28Å; D258-A261 PolarHBondContact O-N 3.35Å; A261-K265 WeakPolarHBondContact O-CB 3.36Å; A261-K265 PolarHBondContact O-N 3.31Å
262	A	98.8	Very high	98.7	Very high	26 Å²	26	28.4 Å²	28.4	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-49.6	177.2	0	0	0	0	0	112.4	K129 D258 S259 L260 K265 Q266	K129-A262 HydrophobicContact CD-CB 4.15Å; D258-A262 PolarHBondContact O-N 3.11Å; D258-A262 VanDerWaalsContact O-N 3.09Å; S259-A262 PolarHBondContact O-N 3.21Å; L260-A262 VanDerWaalsContact C-N 3.28Å; L260-A262 PolarHBondContact O-N 3.48Å; A262-K265 PolarHBondContact O-N 3.35Å; A262-Q266 WeakPolarHBondContact O-CG 3.39Å; A262-Q266 PolarHBondContact O-N 2.86Å
263	I	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-34.3	-177.2	-159.1	169.4	0	0	0	112.4	V219 W224 V226 L240 S259 L260 Q266 L267	V219-I263 HydrophobicContact CB-CD1 4.4Å; V219-I263 HydrophobicContact CB-CG1 4.11Å; V219-I263 HydrophobicContact CG1-CD1 4.23Å; V219-I263 HydrophobicContact CG1-CG1 3.77Å; W224-I263 HydrophobicContact CB-CB 4.48Å; W224-I263 HydrophobicContact CB-CD1 3.63Å; W224-I263 HydrophobicContact CB-CG2 3.81Å; W224-I263 HydrophobicContact CG-CG2 4.04Å; V226-I263 HydrophobicContact CG2-CD1 3.84Å; V226-I263 HydrophobicContact CG2-CG1 3.98Å; L240-I263 HydrophobicContact CD1-CG2 3.91Å; S259-I263 PolarHBondContact O-N 3.4Å; L260-I263 HydrophobicContact CD1-CG2 4.28Å; L260-I263 WeakPolarHBondContact O-CG2 3.38Å; L260-I263 PolarHBondContact O-N 3.43Å; I263-Q266 PolarHBondContact O-N 3.42Å; I263-L267 WeakPolarHBondContact O-CB 3.45Å; I263-L267 PolarHBondContact O-N 3.5Å
264	M	98.9	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-47	172.5	-77.6	175.5	57.2	0	0	110.9	L124 I132 I136 W139 L240 L260 Q266 L267 L268 W285	L124-M264 HydrophobicContact CD1-CE 4.41Å; I132-M264 HydrophobicContact CG2-CE 4.35Å; I136-M264 HydrophobicContact CD1-SD 4.26Å; I136-M264 HydrophobicContact CG1-SD 4.41Å; W139-M264 HydrophobicContact CH2-CE 3.56Å; W139-M264 HydrophobicContact CH2-SD 4.44Å; W139-M264 HydrophobicContact CZ3-CE 3.77Å; W139-M264 HydrophobicContact CZ3-SD 4.06Å; L240-M264 HydrophobicContact CD2-CG 3.95Å; L260-M264 HydrophobicContact CD1-CG 3.84Å; L260-M264 HydrophobicContact CD1-SD 3.76Å; L260-M264 HydrophobicContact CD2-SD 4.41Å; L260-M264 HydrophobicContact CG-CG 4.35Å; L260-M264 HydrophobicContact CG-SD 3.8Å; L260-M264 WeakPolarHBondContact O-CB 3.3Å; L260-M264 VanDerWaalsContact O-CG 3.32Å; L260-M264 WeakPolarHBondContact O-CG 3.38Å; L260-M264 PolarHBondContact O-N 2.98Å; M264-Q266 VanDerWaalsContact C-N 3.3Å; M264-Q266 PolarHBondContact O-N 3.03Å; M264-L267 PolarHBondContact O-N 2.92Å; M264-L268 WeakPolarHBondContact O-CB 3.33Å; M264-L268 WeakPolarHBondContact O-CG 3.43Å; M264-L268 PolarHBondContact O-N 2.88Å; M264-W285 HydrophobicContact SD-CZ2 4.44Å
265	K	98.6	Very high	98.4	Very high	64 Å²	64	23.4 Å²	23.4	28%	0.278	11%	0.114	S	C	.	.	H	α-helix	trans	-58.3	-43.4	176.9	-172.4	177.4	174	66.5	0	111.7	P125 M127 I132 A261 A262 T269	P125-K265 PolarHBondContact O-NZ 3.32Å; M127-K265 PolarHBondContact O-NZ 3.43Å; I132-K265 HydrophobicContact CD1-CB 3.82Å; I132-K265 HydrophobicContact CD1-CD 4.33Å; I132-K265 HydrophobicContact CD1-CG 4.23Å; A261-K265 WeakPolarHBondContact O-CB 3.36Å; A261-K265 PolarHBondContact O-N 3.31Å; A262-K265 PolarHBondContact O-N 3.35Å; K265-T269 VanDerWaalsContact O-CB 3.26Å; K265-T269 WeakPolarHBondContact O-CB 3.03Å; K265-T269 PolarHBondContact O-N 2.96Å; K265-T269 PolarHBondContact O-OG1 3.21Å
266	Q	98.6	Very high	98.2	Very high	56 Å²	56	22.7 Å²	22.7	26%	0.262	11%	0.111	S	C	.	.	H	α-helix	trans	-64.7	-48.4	177.4	-71.5	179.6	16.1	0	0	112.4	V219 A262 I263 M264 T269 K270	V219-Q266 HydrophobicContact CG1-CB 4.13Å; A262-Q266 WeakPolarHBondContact O-CG 3.39Å; A262-Q266 PolarHBondContact O-N 2.86Å; I263-Q266 PolarHBondContact O-N 3.42Å; M264-Q266 VanDerWaalsContact C-N 3.3Å; M264-Q266 PolarHBondContact O-N 3.03Å; Q266-T269 PolarHBondContact O-N 3.47Å; Q266-K270 WeakPolarHBondContact O-CG 3.43Å; Q266-K270 PolarHBondContact O-N 2.9Å
267	L	98.8	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.1	-52	177.1	170.2	57.8	0	0	0	111.3	V218 V226 T238 I263 M264 T269 K270 Y271 Y307	V218-L267 HydrophobicContact CG1-CD1 4.49Å; V226-L267 HydrophobicContact CG1-CD1 3.92Å; V226-L267 HydrophobicContact CG1-CD2 3.93Å; V226-L267 HydrophobicContact CG1-CG 4.43Å; V226-L267 HydrophobicContact CG2-CD2 4.19Å; T238-L267 HydrophobicContact CG2-CD1 4.17Å; I263-L267 WeakPolarHBondContact O-CB 3.45Å; I263-L267 PolarHBondContact O-N 3.5Å; M264-L267 PolarHBondContact O-N 2.92Å; L267-T269 VanDerWaalsContact C-N 3.27Å; L267-T269 PolarHBondContact O-N 3.27Å; L267-K270 PolarHBondContact O-N 3.34Å; L267-K270 VanDerWaalsContact O-N 3.15Å; L267-Y271 HydrophobicContact CD1-CD2 4.21Å; L267-Y271 HydrophobicContact CD1-CE2 3.9Å; L267-Y271 HydrophobicContact CD2-CE2 4.42Å; L267-Y271 HydrophobicContact CG-CD2 4.27Å; L267-Y271 HydrophobicContact CG-CE2 4.07Å; L267-Y271 PolarHBondContact O-N 3.36Å; L267-Y307 HydrophobicContact CD2-CD2 4.07Å; L267-Y307 HydrophobicContact CD2-CE2 3.84Å
268	L	98.7	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-30.1	-176.2	-64	179.7	0	0	0	112	L124 P125 M264 Y271 D272 Y281 Y307	L124-L268 HydrophobicContact CB-CD1 3.41Å; L124-L268 VanDerWaalsContact CB-CD1 3.41Å; L124-L268 HydrophobicContact CD1-CD1 3.73Å; L124-L268 HydrophobicContact CG-CD1 4.22Å; P125-L268 HydrophobicContact CB-CB 3.85Å; P125-L268 HydrophobicContact CG-CB 4.11Å; M264-L268 WeakPolarHBondContact O-CB 3.33Å; M264-L268 WeakPolarHBondContact O-CG 3.43Å; M264-L268 PolarHBondContact O-N 2.88Å; L268-Y271 HydrophobicContact CD2-CD2 3.95Å; L268-Y271 PolarHBondContact O-N 3.27Å; L268-D272 PolarHBondContact O-N 2.95Å; L268-Y281 HydrophobicContact CD2-CD1 4.45Å; L268-Y281 HydrophobicContact CD2-CE1 3.55Å; L268-Y307 HydrophobicContact CD2-CD1 4.32Å; L268-Y307 HydrophobicContact CD2-CE1 3.77Å
269	T	98.6	Very high	97.7	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-42.6	171.6	-61.8	0	0	0	0	111.6	K265 Q266 L267 Y271 D272 N273 E348 H350	K265-T269 VanDerWaalsContact O-CB 3.26Å; K265-T269 WeakPolarHBondContact O-CB 3.03Å; K265-T269 PolarHBondContact O-N 2.96Å; K265-T269 PolarHBondContact O-OG1 3.21Å; Q266-T269 PolarHBondContact O-N 3.47Å; L267-T269 VanDerWaalsContact C-N 3.27Å; L267-T269 PolarHBondContact O-N 3.27Å; T269-Y271 VanDerWaalsContact C-N 3.32Å; T269-Y271 PolarHBondContact O-N 3.02Å; T269-D272 PolarHBondContact O-N 3.22Å; T269-N273 VanDerWaalsContact O-CB 3.28Å; T269-N273 WeakPolarHBondContact O-CB 3.2Å; T269-N273 PolarHBondContact O-N 3.03Å; T269-E348 VanDerWaalsContact CG2-O 3.22Å; T269-E348 WeakPolarHBondContact CG2-O 3.48Å; T269-H350 VanDerWaalsContact CG2-CA 3.49Å; T269-H350 HydrophobicContact CG2-CB 3.71Å
270	K	98.7	Very high	97.6	Very high	10 Å²	10	19.2 Å²	19.2	4%	0.043	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-38	174.2	-73	174.2	-177.9	-74.2	0	111.4	V218 V219 Q266 L267 N273 L274 L343 R344 L346	V218-K270 HydrophobicContact CG1-CD 4.45Å; V219-K270 HydrophobicContact CG2-CD 3.69Å; Q266-K270 WeakPolarHBondContact O-CG 3.43Å; Q266-K270 PolarHBondContact O-N 2.9Å; L267-K270 PolarHBondContact O-N 3.34Å; L267-K270 VanDerWaalsContact O-N 3.15Å; K270-N273 PolarHBondContact O-N 3.26Å; K270-L274 PolarHBondContact O-N 3.11Å; K270-L274 VanDerWaalsContact O-N 3.09Å; K270-L343 WeakPolarHBondContact CD-O 3.44Å; K270-R344 PolarHBondContact NZ-O 2.79Å; K270-L346 HydrophobicContact CB-CB 4.44Å; K270-L346 HydrophobicContact CG-CB 4.25Å; K270-L346 PolarHBondContact NZ-O 2.7Å; K270-L346 WeakPolarHBondContact O-CD1 3.44Å
271	Y	98.6	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.9	-51.1	172	-85.3	-31.3	0	0	0	112.6	Y236 T238 L267 L268 T269 N273 L274 F279 Y307 P309 L343	Y236-Y271 WeakPolarHBondContact O-CE1 3.48Å; Y236-Y271 PolarHBondContact O-OH 3.36Å; T238-Y271 WeakPolarHBondContact CB-OH 3.2Å; T238-Y271 VanDerWaalsContact CG2-OH 3.26Å; T238-Y271 WeakPolarHBondContact CG2-OH 3.48Å; T238-Y271 PolarHBondContact N-OH 3.31Å; T238-Y271 PolarHBondContact OG1-OH 2.97Å; L267-Y271 HydrophobicContact CD1-CD2 4.21Å; L267-Y271 HydrophobicContact CD1-CE2 3.9Å; L267-Y271 HydrophobicContact CD2-CE2 4.42Å; L267-Y271 HydrophobicContact CG-CD2 4.27Å; L267-Y271 HydrophobicContact CG-CE2 4.07Å; L267-Y271 PolarHBondContact O-N 3.36Å; L268-Y271 HydrophobicContact CD2-CD2 3.95Å; L268-Y271 PolarHBondContact O-N 3.27Å; T269-Y271 VanDerWaalsContact C-N 3.32Å; T269-Y271 PolarHBondContact O-N 3.02Å; Y271-N273 VanDerWaalsContact C-N 3.27Å; Y271-N273 PolarHBondContact O-N 2.77Å; Y271-L274 WeakPolarHBondContact O-CB 3.43Å; Y271-L274 PolarHBondContact O-N 3Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; Y271-F279 AromaticContact CD1-CD1 3.7Å; Y271-F279 HydrophobicContact CD1-CD1 3.7Å; Y271-F279 AromaticContact CD1-CE1 3.4Å; Y271-F279 HydrophobicContact CD1-CE1 3.4Å; Y271-F279 VanDerWaalsContact CD1-CE1 3.4Å; Y271-F279 HydrophobicContact CD1-CZ 4.16Å; Y271-F279 HydrophobicContact CD2-CD1 4.23Å; Y271-F279 HydrophobicContact CE1-CD1 4.42Å; Y271-F279 AromaticContact CE1-CE1 3.85Å; Y271-F279 HydrophobicContact CE1-CE1 3.85Å; Y271-F279 AromaticContact CG-CD1 3.6Å; Y271-F279 HydrophobicContact CG-CD1 3.6Å; Y271-F279 AromaticContact CG-CE1 3.83Å; Y271-F279 HydrophobicContact CG-CE1 3.83Å; Y271-F279 HydrophobicContact CG-CG 4.36Å; Y271-F279 VanDerWaalsContact O-CD2 3.23Å; Y271-F279 WeakPolarHBondContact O-CD2 3.18Å; Y271-F279 WeakPolarHBondContact O-CG 3.41Å; Y271-Y307 HydrophobicContact CE2-CD1 4.09Å; Y271-Y307 HydrophobicContact CE2-CG 4.21Å; Y271-P309 HydrophobicContact CE1-CG 4.16Å; Y271-L343 HydrophobicContact CD1-CD2 3.82Å; Y271-L343 HydrophobicContact CE1-CD1 4.13Å; Y271-L343 HydrophobicContact CE1-CD2 4.06Å
272	D	97.5	Very high	97.5	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-34.1	-179.6	-78.5	14.3	0	0	0	111.7	P125 K159 L268 T269 L274 E276 V277 F279 H350 Y351	P125-D272 WeakPolarHBondContact CG-OD2 3.44Å; K159-D272 IonicContact NZ-OD1 4Å; K159-D272 PolarHBondContact NZ-OD1 2.62Å; K159-D272 IonicContact NZ-OD2 3.72Å; L268-D272 PolarHBondContact O-N 2.95Å; T269-D272 PolarHBondContact O-N 3.22Å; D272-L274 VanDerWaalsContact C-N 3.34Å; D272-L274 PolarHBondContact O-N 2.99Å; D272-E276 CarbonylContact O-C 3.51Å; D272-E276 WeakPolarHBondContact O-CA 3.34Å; D272-E276 PolarHBondContact O-N 2.94Å; D272-E276 VanDerWaalsContact O-N 3.09Å; D272-V277 WeakPolarHBondContact CA-O 3.4Å; D272-V277 WeakPolarHBondContact CB-O 3.36Å; D272-V277 PolarHBondContact O-N 3.09Å; D272-F279 WeakPolarHBondContact OD1-CB 3.39Å; D272-F279 PolarHBondContact OD1-N 2.72Å; D272-H350 VanDerWaalsContact CB-NE2 3.33Å; D272-H350 WeakPolarHBondContact CB-NE2 3.42Å; D272-H350 IonicContact OD2-NE2 2.74Å; D272-H350 PolarHBondContact OD2-NE2 2.8Å; D272-Y351 HydrophobicContact CB-CE1 4.2Å
273	N	98	Very high	97.5	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-71.3	-21.5	175.9	-76.8	-14	0	0	0	114.4	T269 K270 Y271 F275 L346 P347 E349 Y351 R354	T269-N273 VanDerWaalsContact O-CB 3.28Å; T269-N273 WeakPolarHBondContact O-CB 3.2Å; T269-N273 PolarHBondContact O-N 3.03Å; K270-N273 PolarHBondContact O-N 3.26Å; Y271-N273 VanDerWaalsContact C-N 3.27Å; Y271-N273 PolarHBondContact O-N 2.77Å; N273-F275 VanDerWaalsContact C-N 3.27Å; N273-F275 PolarHBondContact O-N 3.34Å; N273-L346 HydrophobicContact CB-CB 4.42Å; N273-P347 PolarHBondContact ND2-O 2.77Å; N273-E349 PolarHBondContact ND2-O 3.27Å; N273-Y351 PolarHBondContact OD1-N 3.03Å; N273-R354 PolarHBondContact ND2-NH1 2.66Å
274	L	97.3	Very high	97.5	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.131	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-38.1	-173.6	179.4	65.1	0	0	0	112.4	Y236 K270 Y271 D272 F279 K342 L343 L346	Y236-L274 HydrophobicContact CD1-CD2 3.81Å; Y236-L274 HydrophobicContact CD2-CD2 3.62Å; Y236-L274 HydrophobicContact CE1-CD1 4.24Å; Y236-L274 HydrophobicContact CE1-CD2 3.8Å; Y236-L274 HydrophobicContact CE2-CD2 3.62Å; Y236-L274 HydrophobicContact CG-CD2 3.72Å; K270-L274 PolarHBondContact O-N 3.11Å; K270-L274 VanDerWaalsContact O-N 3.09Å; Y271-L274 WeakPolarHBondContact O-CB 3.43Å; Y271-L274 PolarHBondContact O-N 3Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; D272-L274 VanDerWaalsContact C-N 3.34Å; D272-L274 PolarHBondContact O-N 2.99Å; L274-F279 HydrophobicContact CB-CE2 4.41Å; L274-F279 HydrophobicContact CD2-CE2 3.84Å; L274-F279 HydrophobicContact CD2-CZ 3.86Å; L274-K342 HydrophobicContact CD1-CB 4.45Å; L274-L343 HydrophobicContact CD2-CD2 4Å; L274-L346 VanDerWaalsContact CA-CD1 3.48Å; L274-L346 HydrophobicContact CB-CD1 3.68Å; L274-L346 HydrophobicContact CD1-CD1 3.8Å; L274-L346 HydrophobicContact CG-CD1 4.33Å
275	F	95.6	Very high	97.5	Very high	44 Å²	44	20.2 Å²	20.2	19%	0.193	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	20.9	176.8	-56.9	-49.1	0	0	0	112.4	Y236 N273 V277 F279 L311 R313 A315	Y236-F275 HydrophobicContact CE2-CE2 4.16Å; Y236-F275 AromaticContact CE2-CZ 3.92Å; Y236-F275 HydrophobicContact CE2-CZ 3.92Å; N273-F275 VanDerWaalsContact C-N 3.27Å; N273-F275 PolarHBondContact O-N 3.34Å; F275-V277 VanDerWaalsContact C-N 3.32Å; F275-V277 HydrophobicContact CB-CG1 3.97Å; F275-V277 PolarHBondContact O-N 2.64Å; F275-F279 HydrophobicContact CD2-CD2 4.37Å; F275-F279 AromaticContact CD2-CE2 3.7Å; F275-F279 HydrophobicContact CD2-CE2 3.7Å; F275-F279 AromaticContact CE2-CE2 3.97Å; F275-F279 HydrophobicContact CE2-CE2 3.97Å; F275-L311 HydrophobicContact CD2-CB 4.06Å; F275-L311 HydrophobicContact CD2-CD1 3.97Å; F275-L311 HydrophobicContact CE2-CB 3.85Å; F275-R313 WeakPolarHBondContact CE1-O 3.48Å; F275-A315 HydrophobicContact CB-CB 4.15Å
276	E	94.8	Very high	97.6	Very high	110 Å²	110	18 Å²	18	51%	0.514	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	53.5	-178.8	-60.3	-167.1	143	0	0	112.9	D272 Y351 R354	D272-E276 CarbonylContact O-C 3.51Å; D272-E276 WeakPolarHBondContact O-CA 3.34Å; D272-E276 PolarHBondContact O-N 2.94Å; D272-E276 VanDerWaalsContact O-N 3.09Å; E276-Y351 HydrophobicContact CB-CD1 4.39Å; E276-Y351 HydrophobicContact CB-CD2 4.12Å; E276-Y351 HydrophobicContact CB-CE2 4.48Å; E276-Y351 HydrophobicContact CB-CG 4.08Å; E276-Y351 HydrophobicContact CG-CG 4.27Å; E276-R354 IonicContact OE1-NH2 3.79Å; E276-R354 PolarHBondContact OE1-NH2 3.27Å; E276-R354 VanDerWaalsContact OE1-NH2 3.12Å
277	V	94.4	Very high	97.6	Very high	12 Å²	12	16 Å²	16	7%	0.073	9%	0.088	C	C	.	.	S	Bend	trans	-146.9	154.7	-172.4	69.9	0	0	0	0	109.7	P46 D272 F275 F279 L311 A315	P46-V277 HydrophobicContact CG-CG2 3.15Å; D272-V277 WeakPolarHBondContact CA-O 3.4Å; D272-V277 WeakPolarHBondContact CB-O 3.36Å; D272-V277 PolarHBondContact O-N 3.09Å; F275-V277 VanDerWaalsContact C-N 3.32Å; F275-V277 HydrophobicContact CB-CG1 3.97Å; F275-V277 PolarHBondContact O-N 2.64Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 PolarHBondContact O-N 2.83Å; V277-L311 HydrophobicContact CG1-CD1 4.1Å; V277-A315 HydrophobicContact CB-CB 4.06Å; V277-A315 HydrophobicContact CG1-CB 4.08Å; V277-A315 HydrophobicContact CG2-CB 4.2Å
278	S	94.3	Very high	97.6	Very high	33 Å²	33	16.2 Å²	16.2	23%	0.231	9%	0.09	C	C	.	.			trans	-64.9	100.1	166.2	176.5	0	0	0	0	109.1	K159 P280	K159-S278 WeakPolarHBondContact CE-OG 3.39Å; S278-P280 WeakPolarHBondContact O-CD 3.32Å
279	F	96	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.			trans	-72.9	121.1	-166.5	-159.6	-106.6	0	0	0	110.5	K159 Y236 Y271 D272 L274 F275 V277 Y281 P309 L311	K159-F279 VanDerWaalsContact CD-O 3.31Å; K159-F279 WeakPolarHBondContact CD-O 3.25Å; K159-F279 VanDerWaalsContact CE-O 3.3Å; K159-F279 WeakPolarHBondContact CE-O 3.49Å; K159-F279 PolarHBondContact NZ-O 3.04Å; Y236-F279 HydrophobicContact CD2-CZ 4.36Å; Y271-F279 AromaticContact CD1-CD1 3.7Å; Y271-F279 HydrophobicContact CD1-CD1 3.7Å; Y271-F279 AromaticContact CD1-CE1 3.4Å; Y271-F279 HydrophobicContact CD1-CE1 3.4Å; Y271-F279 VanDerWaalsContact CD1-CE1 3.4Å; Y271-F279 HydrophobicContact CD1-CZ 4.16Å; Y271-F279 HydrophobicContact CD2-CD1 4.23Å; Y271-F279 HydrophobicContact CE1-CD1 4.42Å; Y271-F279 AromaticContact CE1-CE1 3.85Å; Y271-F279 HydrophobicContact CE1-CE1 3.85Å; Y271-F279 AromaticContact CG-CD1 3.6Å; Y271-F279 HydrophobicContact CG-CD1 3.6Å; Y271-F279 AromaticContact CG-CE1 3.83Å; Y271-F279 HydrophobicContact CG-CE1 3.83Å; Y271-F279 HydrophobicContact CG-CG 4.36Å; Y271-F279 VanDerWaalsContact O-CD2 3.23Å; Y271-F279 WeakPolarHBondContact O-CD2 3.18Å; Y271-F279 WeakPolarHBondContact O-CG 3.41Å; D272-F279 WeakPolarHBondContact OD1-CB 3.39Å; D272-F279 PolarHBondContact OD1-N 2.72Å; L274-F279 HydrophobicContact CB-CE2 4.41Å; L274-F279 HydrophobicContact CD2-CE2 3.84Å; L274-F279 HydrophobicContact CD2-CZ 3.86Å; F275-F279 HydrophobicContact CD2-CD2 4.37Å; F275-F279 AromaticContact CD2-CE2 3.7Å; F275-F279 HydrophobicContact CD2-CE2 3.7Å; F275-F279 AromaticContact CE2-CE2 3.97Å; F275-F279 HydrophobicContact CE2-CE2 3.97Å; V277-F279 HydrophobicContact CG1-CD2 4.35Å; V277-F279 PolarHBondContact O-N 2.83Å; F279-Y281 WeakPolarHBondContact O-CD1 3.37Å; F279-P309 HydrophobicContact CD1-CB 3.89Å; F279-P309 HydrophobicContact CE1-CB 3.17Å; F279-P309 HydrophobicContact CE1-CG 3.8Å; F279-P309 HydrophobicContact CZ-CB 3.93Å; F279-P309 HydrophobicContact CZ-CG 4.48Å; F279-L311 HydrophobicContact CD2-CD1 3.72Å; F279-L311 HydrophobicContact CE2-CB 3.81Å; F279-L311 HydrophobicContact CE2-CD1 3.72Å; F279-L311 HydrophobicContact CE2-CG 4.27Å; F279-L311 HydrophobicContact CZ-CB 4.06Å
280	P	96.6	Very high	97.6	Very high	9 Å²	9	16.4 Å²	16.4	6%	0.058	9%	0.091	C	C	.	.			trans	-76.8	146.4	-179.2	30.5	-33.2	0	0	0	111.3	K159 M162 M163 S278 P309 P310 L311	K159-P280 VanDerWaalsContact O-CA 3.25Å; K159-P280 WeakPolarHBondContact O-CA 3.38Å; K159-P280 WeakPolarHBondContact O-CB 3.4Å; M162-P280 HydrophobicContact CB-CB 4.21Å; M162-P280 HydrophobicContact CB-CG 4.31Å; M162-P280 HydrophobicContact SD-CG 4.2Å; M163-P280 HydrophobicContact CG-CB 4.01Å; S278-P280 WeakPolarHBondContact O-CD 3.32Å; P280-P309 WeakPolarHBondContact O-CB 3.27Å; P280-P310 HydrophobicContact CB-CG 4.35Å; P280-P310 HydrophobicContact CG-CG 3.91Å; P280-P310 WeakPolarHBondContact O-CD 3.46Å; P280-L311 HydrophobicContact CG-CD1 4.08Å; P280-L311 HydrophobicContact CG-CD2 4.49Å; P280-L311 HydrophobicContact CG-CG 3.93Å
281	Y	98.3	Very high	97.5	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	160.2	172.5	56.9	-103	0	0	0	110.9	E157 K159 L268 F279 M283 Y307	E157-Y281 HydrophobicContact CG-CE2 4.26Å; E157-Y281 PolarHBondContact OE1-OH 2.88Å; E157-Y281 WeakPolarHBondContact OE2-CE2 3.42Å; E157-Y281 PolarHBondContact OE2-OH 3.05Å; K159-Y281 HydrophobicContact CB-CD1 4.48Å; K159-Y281 HydrophobicContact CB-CD2 4.32Å; K159-Y281 HydrophobicContact CB-CE1 4.27Å; K159-Y281 HydrophobicContact CB-CE2 4.08Å; K159-Y281 HydrophobicContact CB-CG 4.5Å; K159-Y281 HydrophobicContact CD-CD1 4.07Å; K159-Y281 HydrophobicContact CD-CE1 3.41Å; K159-Y281 VanDerWaalsContact CD-CE1 3.41Å; K159-Y281 HydrophobicContact CG-CE1 4.47Å; K159-Y281 PolarHBondContact N-O 3Å; K159-Y281 PolarHBondContact O-N 2.94Å; L268-Y281 HydrophobicContact CD2-CD1 4.45Å; L268-Y281 HydrophobicContact CD2-CE1 3.55Å; F279-Y281 WeakPolarHBondContact O-CD1 3.37Å; Y281-M283 HydrophobicContact CD2-CB 3.83Å; Y281-M283 HydrophobicContact CD2-CG 3.95Å; Y281-M283 HydrophobicContact CE2-CB 3.96Å; Y281-M283 HydrophobicContact CE2-CG 3.57Å; Y281-Y307 AromaticContact CD2-CD1 3.98Å; Y281-Y307 HydrophobicContact CD2-CD1 3.98Å; Y281-Y307 HydrophobicContact CD2-CE1 4.44Å; Y281-Y307 HydrophobicContact CE2-CD1 4.12Å; Y281-Y307 HydrophobicContact CE2-CE1 4.12Å; Y281-Y307 HydrophobicContact CG-CD1 4.24Å
282	S	98.7	Very high	97.4	Very high	25 Å²	25	20.8 Å²	20.8	18%	0.175	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.3	155.1	-66.1	0	0	0	0	107.8	E157 N158 M163 Y308	E157-S282 CarbonylContact O-C 3.49Å; E157-S282 VanDerWaalsContact O-CA 3.3Å; E157-S282 WeakPolarHBondContact O-CA 3.29Å; N158-S282 WeakPolarHBondContact OD1-CB 3.3Å; N158-S282 PolarHBondContact OD1-OG 2.89Å; M163-S282 WeakPolarHBondContact CE-OG 3.45Å; S282-Y308 PolarHBondContact N-O 3.05Å; S282-Y308 PolarHBondContact O-N 3.25Å
283	M	98.8	Very high	97.4	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.9	174.1	74.1	79.3	72.4	0	0	110.8	W139 F156 E157 Y281 A305 H306 Y307	W139-M283 HydrophobicContact CH2-CE 4.47Å; F156-M283 CarbonylContact C-O 3.56Å; F156-M283 WeakPolarHBondContact CA-O 3.23Å; F156-M283 VanDerWaalsContact CB-O 3.23Å; F156-M283 WeakPolarHBondContact CB-O 3.42Å; E157-M283 HydrophobicContact CB-CG 3.92Å; E157-M283 HydrophobicContact CB-SD 4.18Å; E157-M283 PolarHBondContact N-O 2.94Å; E157-M283 PolarHBondContact O-N 2.81Å; Y281-M283 HydrophobicContact CD2-CB 3.83Å; Y281-M283 HydrophobicContact CD2-CG 3.95Å; Y281-M283 HydrophobicContact CE2-CB 3.96Å; Y281-M283 HydrophobicContact CE2-CG 3.57Å; M283-A305 HydrophobicContact CE-CB 4.35Å; M283-H306 WeakPolarHBondContact CA-O 3.22Å; M283-H306 WeakPolarHBondContact CB-O 3.22Å; M283-Y307 HydrophobicContact CB-CD1 3.48Å; M283-Y307 VanDerWaalsContact CB-CD1 3.48Å; M283-Y307 HydrophobicContact CB-CD2 4.48Å; M283-Y307 HydrophobicContact CB-CE1 3.62Å; M283-Y307 HydrophobicContact CB-CG 3.94Å; M283-Y307 HydrophobicContact CE-CE1 3.99Å; M283-Y307 HydrophobicContact CE-CE2 4.17Å; M283-Y307 WeakPolarHBondContact CE-OH 3.36Å; M283-Y307 HydrophobicContact CG-CD1 4.17Å; M283-Y307 HydrophobicContact CG-CE1 3.83Å
284	G	98.8	Very high	97.3	Very high	7 Å²	7	27 Å²	27	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	160.4	173.8	0	0	0	0	0	112.9	I155 A305 H306	I155-G284 WeakPolarHBondContact O-CA 3.42Å; G284-A305 VanDerWaalsContact O-CA 3.23Å; G284-A305 WeakPolarHBondContact O-CA 3.48Å; G284-H306 PolarHBondContact N-O 3.34Å; G284-H306 VanDerWaalsContact N-O 3.16Å; G284-H306 PolarHBondContact O-N 2.9Å
285	W	98.9	Very high	97.1	Very high	9 Å²	9	35.4 Å²	35.4	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.7	180	-70.7	98.6	0	0	0	111.1	W139 Q154 I155 W224 L240 I249 L260 M264 L303 A305	W139-W285 AromaticContact CE3-NE1 3.4Å; W139-W285 AromaticContact CH2-NE1 3.76Å; W139-W285 AromaticContact CZ3-CE2 3.96Å; W139-W285 HydrophobicContact CZ3-CZ2 4.08Å; W139-W285 AromaticContact CZ3-NE1 3.26Å; W139-W285 VanDerWaalsContact CZ3-NE1 3.26Å; Q154-W285 PolarHBondContact NE2-O 3.41Å; I155-W285 PolarHBondContact O-N 2.97Å; I155-W285 VanDerWaalsContact O-N 3.09Å; W224-W285 HydrophobicContact CH2-CH2 4.04Å; W224-W285 HydrophobicContact CH2-CZ3 4.18Å; W224-W285 AromaticContact CZ3-CH2 3.97Å; W224-W285 HydrophobicContact CZ3-CH2 3.97Å; W224-W285 HydrophobicContact CZ3-CZ3 4.04Å; L240-W285 HydrophobicContact CD2-CH2 4.13Å; I249-W285 HydrophobicContact CD1-CD2 3.84Å; I249-W285 HydrophobicContact CD1-CE3 4.3Å; I249-W285 HydrophobicContact CD1-CG 4.17Å; I249-W285 HydrophobicContact CD1-CZ2 4.13Å; L260-W285 HydrophobicContact CD1-CH2 3.8Å; L260-W285 HydrophobicContact CD1-CZ2 4.18Å; L260-W285 HydrophobicContact CD2-CH2 3.79Å; L260-W285 HydrophobicContact CD2-CZ2 3.91Å; L260-W285 HydrophobicContact CG-CH2 4.46Å; M264-W285 HydrophobicContact SD-CZ2 4.44Å; W285-L303 HydrophobicContact CE3-CD1 3.75Å; W285-L303 HydrophobicContact CE3-CG 4.09Å; W285-L303 HydrophobicContact CZ3-CD1 4.24Å; W285-L303 HydrophobicContact CZ3-CD2 4.28Å; W285-L303 HydrophobicContact CZ3-CG 4.07Å; W285-A305 HydrophobicContact CD2-CB 3.79Å; W285-A305 HydrophobicContact CE3-CB 3.68Å; W285-A305 HydrophobicContact CG-CB 4.46Å; W285-A305 HydrophobicContact CH2-CB 4.01Å; W285-A305 HydrophobicContact CZ2-CB 4.11Å; W285-A305 HydrophobicContact CZ3-CB 3.8Å
286	H	98.9	Very high	97.2	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.088	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.2	167.4	-70	177.2	0	0	0	108.9	W152 W301 L303 H304 H306	W152-H286 HydrophobicContact CH2-CB 4.36Å; W152-H286 AromaticContact CZ2-CD2 3.86Å; H286-W301 HydrophobicContact CB-CZ3 4.24Å; H286-L303 WeakPolarHBondContact O-CA 3.49Å; H286-H304 AromaticContact CG-NE2 3.99Å; H286-H304 PolarHBondContact N-O 3.4Å; H286-H304 AromaticContact ND1-NE2 3.61Å; H286-H304 PolarHBondContact O-N 2.73Å; H286-H306 AromaticContact CE1-CD2 3.92Å; H286-H306 AromaticContact CE1-NE2 3.9Å; H286-H306 AromaticContact ND1-CD2 3.73Å; H286-H306 AromaticContact ND1-NE2 3.48Å; H286-H306 PolarHBondContact ND1-NE2 2.81Å
287	G	98.8	Very high	97.3	Very high	13 Å²	13	37.5 Å²	37.5	13%	0.134	20%	0.203	C	C	.	.			trans	-138.7	-179.2	171	0	0	0	0	0	110.1	W152 L247 W301	W152-G287 WeakPolarHBondContact CH2-O 3.36Å; W152-G287 WeakPolarHBondContact CZ3-O 3.38Å; L247-G287 CarbonylContact O-C 3.6Å; L247-G287 WeakPolarHBondContact O-CA 3.5Å; G287-W301 WeakPolarHBondContact O-CZ3 3.28Å
288	A	98.8	Very high	97.5	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.033	20%	0.201	C	C	.	.			trans	-57.6	140	179	0	0	0	0	0	112.3	L247 R248 N298 W301	L247-A288 HydrophobicContact CB-CB 3.95Å; L247-A288 PolarHBondContact O-N 3.37Å; R248-A288 HydrophobicContact CG-CB 4.09Å; R248-A288 PolarHBondContact NE-O 2.75Å; A288-N298 HydrophobicContact CB-CB 3.76Å; A288-W301 HydrophobicContact CB-CB 3.78Å; A288-W301 HydrophobicContact CB-CD2 4.39Å; A288-W301 HydrophobicContact CB-CG 3.78Å
289	P	98.7	Very high	97.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.019	20%	0.202	C	C	.	.			trans	-51.4	150	175.7	-28.2	34.8	0	0	0	113.2	P151 W152 L180 R248 H293 W301	P151-P289 CarbonylContact O-C 3.58Å; P151-P289 WeakPolarHBondContact O-CA 3.31Å; P151-P289 WeakPolarHBondContact O-CB 3.22Å; W152-P289 HydrophobicContact CE3-CG 4.38Å; W152-P289 HydrophobicContact CZ3-CG 4.25Å; L180-P289 HydrophobicContact CD1-CG 4.13Å; R248-P289 PolarHBondContact NE-O 3.33Å; R248-P289 PolarHBondContact NH2-O 2.98Å; P289-H293 HydrophobicContact CB-CB 3.8Å; P289-W301 VanDerWaalsContact CD-NE1 3.3Å; P289-W301 HydrophobicContact CG-CZ2 4.32Å
290	T	98.8	Very high	97.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.031	20%	0.203	C	C	.	.			trans	-111.3	-156.8	-176.7	50.6	0	0	0	0	110.9	L143 G147 Y150 P151 H293 L294	L143-T290 HydrophobicContact CD1-CG2 4.06Å; G147-T290 WeakPolarHBondContact O-CB 3.19Å; Y150-T290 CarbonylContact O-C 3.48Å; Y150-T290 PolarHBondContact O-OG1 2.81Å; P151-T290 WeakPolarHBondContact CA-O 3.3Å; P151-T290 PolarHBondContact O-N 3.35Å; T290-H293 WeakPolarHBondContact O-CB 3.1Å; T290-H293 PolarHBondContact O-N 2.88Å; T290-L294 HydrophobicContact CG2-CD2 4.23Å
291	G	97.8	Very high	98	Very high	9 Å²	9	37.2 Å²	37.2	9%	0.093	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	58.2	-127.6	178	0	0	0	0	0	111.5	G147 Y150 H293 L294	G147-G291 VanDerWaalsContact O-CA 3.26Å; G147-G291 WeakPolarHBondContact O-CA 3.22Å; G147-G291 PolarHBondContact O-N 2.84Å; Y150-G291 PolarHBondContact O-N 2.57Å; G291-H293 PolarHBondContact O-N 2.99Å; G291-H293 VanDerWaalsContact O-N 3.1Å; G291-L294 WeakPolarHBondContact O-CB 3.43Å; G291-L294 WeakPolarHBondContact O-CG 3.44Å; G291-L294 PolarHBondContact O-N 3.32Å; G291-L294 VanDerWaalsContact O-N 3.11Å
292	P	95.8	Very high	98	Very high	93 Å²	93	37.2 Å²	37.2	60%	0.604	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-54.2	-29.5	176.5	-25.8	35	0	0	0	114.3	L294	P292-L294 VanDerWaalsContact C-N 3.28Å; P292-L294 PolarHBondContact O-N 3.04Å
293	H	96.9	Very high	98	Very high	52 Å²	52	36.1 Å²	36.1	24%	0.241	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-77.4	-8.4	-177.4	-58.3	-71.2	0	0	0	113.9	P289 T290 G291 K295 E296 N298	P289-H293 HydrophobicContact CB-CB 3.8Å; T290-H293 WeakPolarHBondContact O-CB 3.1Å; T290-H293 PolarHBondContact O-N 2.88Å; G291-H293 PolarHBondContact O-N 2.99Å; G291-H293 VanDerWaalsContact O-N 3.1Å; H293-K295 PolarHBondContact O-N 3.44Å; H293-K295 VanDerWaalsContact O-N 3.13Å; H293-E296 IonicContact CE1-OE1 2.76Å; H293-E296 IonicContact CE1-OE2 3.35Å; H293-E296 IonicContact CG-OE2 2.92Å; H293-E296 IonicContact ND1-OE1 3.62Å; H293-E296 PolarHBondContact ND1-OE1 3.4Å; H293-E296 IonicContact ND1-OE2 2.7Å; H293-E296 PolarHBondContact ND1-OE2 3.2Å; H293-E296 WeakPolarHBondContact O-CB 3.21Å; H293-E296 PolarHBondContact O-N 3.33Å; H293-N298 PolarHBondContact O-ND2 2.92Å
294	L	96.4	Very high	98	Very high	88 Å²	88	35.9 Å²	35.9	46%	0.461	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.7	-22.3	176.2	-71.3	172.6	0	0	0	113	T290 G291 P292	T290-L294 HydrophobicContact CG2-CD2 4.23Å; G291-L294 WeakPolarHBondContact O-CB 3.43Å; G291-L294 WeakPolarHBondContact O-CG 3.44Å; G291-L294 PolarHBondContact O-N 3.32Å; G291-L294 VanDerWaalsContact O-N 3.11Å; P292-L294 VanDerWaalsContact C-N 3.28Å; P292-L294 PolarHBondContact O-N 3.04Å
295	K	94.3	Very high	98	Very high	203 Å²	203	35.5 Å²	35.5	88%	0.883	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-92.4	-5	178.4	-61	-179.9	-177.3	176.9	0	113.4	H293	H293-K295 PolarHBondContact O-N 3.44Å; H293-K295 VanDerWaalsContact O-N 3.13Å
296	E	96.5	Very high	98	Very high	94 Å²	94	35.8 Å²	35.8	44%	0.439	19%	0.189	S	C	.	.	S	Bend	trans	-93.2	157.1	-178.9	-63.4	175.4	-172.4	0	0	111.2	H293 N298	H293-E296 IonicContact CE1-OE1 2.76Å; H293-E296 IonicContact CE1-OE2 3.35Å; H293-E296 IonicContact CG-OE2 2.92Å; H293-E296 IonicContact ND1-OE1 3.62Å; H293-E296 PolarHBondContact ND1-OE1 3.4Å; H293-E296 IonicContact ND1-OE2 2.7Å; H293-E296 PolarHBondContact ND1-OE2 3.2Å; H293-E296 WeakPolarHBondContact O-CB 3.21Å; H293-E296 PolarHBondContact O-N 3.33Å; E296-N298 PolarHBondContact O-N 3.38Å; E296-N298 PolarHBondContact O-ND2 2.7Å
297	D	97.5	Very high	98	Very high	104 Å²	104	34.9 Å²	34.9	56%	0.556	19%	0.185	S	C	*	.			trans	-71.3	112.1	169.5	-176.3	9.9	0	0	0	110.3	R192 S299	R192-D297 PolarHBondContact NH1-O 3.5Å; D297-S299 WeakPolarHBondContact OD1-CB 3.17Å; D297-S299 PolarHBondContact OD1-N 3.19Å; D297-S299 PolarHBondContact OD1-OG 3.34Å
298	N	98.3	Very high	98	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.032	19%	0.186	C	C	.	.			trans	-112.7	20.3	176.9	-69.9	-74.8	0	0	0	112.6	L247 A288 H293 E296 H300 W301	L247-N298 HydrophobicContact CD1-CB 4.27Å; L247-N298 WeakPolarHBondContact CD2-O 3.5Å; A288-N298 HydrophobicContact CB-CB 3.76Å; H293-N298 PolarHBondContact O-ND2 2.92Å; E296-N298 PolarHBondContact O-N 3.38Å; E296-N298 PolarHBondContact O-ND2 2.7Å; N298-H300 PolarHBondContact O-N 3.46Å; N298-W301 WeakPolarHBondContact O-CB 3.4Å; N298-W301 PolarHBondContact O-N 2.99Å
299	S	98.4	Very high	97.9	Very high	38 Å²	38	36 Å²	36	27%	0.266	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.6	-176.9	-58.1	0	0	0	0	113.8	P201 H245 D297 W301	P201-S299 WeakPolarHBondContact CG-O 3.35Å; H245-S299 PolarHBondContact CE1-O 2.91Å; H245-S299 PolarHBondContact NE2-O 2.93Å; H245-S299 VanDerWaalsContact NE2-O 3.12Å; D297-S299 WeakPolarHBondContact OD1-CB 3.17Å; D297-S299 PolarHBondContact OD1-N 3.19Å; D297-S299 PolarHBondContact OD1-OG 3.34Å; S299-W301 VanDerWaalsContact C-N 3.3Å; S299-W301 PolarHBondContact O-N 2.96Å
300	H	98.8	Very high	97.8	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.019	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.6	174.9	59.6	-73.4	0	0	0	114.2	D188 R192 Y195 N298	D188-H300 IonicContact OD1-CD2 2.75Å; D188-H300 IonicContact OD1-CE1 2.76Å; D188-H300 IonicContact OD1-NE2 3.97Å; D188-H300 PolarHBondContact OD1-NE2 3.3Å; D188-H300 IonicContact OD2-NE2 3.75Å; R192-H300 HydrophobicContact CB-CB 4.46Å; R192-H300 PolarHBondContact N-CD2 3.33Å; R192-H300 PolarHBondContact NH1-CE1 2.92Å; R192-H300 PolarHBondContact NH2-CE1 3.11Å; R192-H300 PolarHBondContact NH2-NE2 2.98Å; Y195-H300 VanDerWaalsContact CB-CB 3.46Å; Y195-H300 HydrophobicContact CD1-CB 4.13Å; Y195-H300 HydrophobicContact CD2-CB 4.34Å; Y195-H300 HydrophobicContact CG-CB 3.74Å; N298-H300 PolarHBondContact O-N 3.46Å
301	W	98.9	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.			trans	-78.6	152.8	179.4	-85.9	92.6	0	0	0	112.7	W152 D188 Q191 H245 L247 H286 G287 A288 P289 N298 S299	W152-W301 AromaticContact CH2-CH2 3.9Å; W152-W301 HydrophobicContact CH2-CH2 3.9Å; W152-W301 HydrophobicContact CH2-CZ3 4.31Å; W152-W301 HydrophobicContact CZ3-CH2 4.06Å; W152-W301 HydrophobicContact CZ3-CZ2 4.35Å; D188-W301 HydrophobicContact CB-CZ2 3.77Å; D188-W301 PolarHBondContact OD1-NE1 2.89Å; Q191-W301 VanDerWaalsContact NE2-CZ3 3.35Å; H245-W301 PolarHBondContact CD2-O 2.81Å; H245-W301 PolarHBondContact NE2-O 2.85Å; L247-W301 HydrophobicContact CD2-CB 4.29Å; L247-W301 VanDerWaalsContact CD2-O 3.23Å; L247-W301 WeakPolarHBondContact CD2-O 3.38Å; H286-W301 HydrophobicContact CB-CZ3 4.24Å; G287-W301 WeakPolarHBondContact O-CZ3 3.28Å; A288-W301 HydrophobicContact CB-CB 3.78Å; A288-W301 HydrophobicContact CB-CD2 4.39Å; A288-W301 HydrophobicContact CB-CG 3.78Å; P289-W301 VanDerWaalsContact CD-NE1 3.3Å; P289-W301 HydrophobicContact CG-CZ2 4.32Å; N298-W301 WeakPolarHBondContact O-CB 3.4Å; N298-W301 PolarHBondContact O-N 2.99Å; S299-W301 VanDerWaalsContact C-N 3.3Å; S299-W301 PolarHBondContact O-N 2.96Å
302	Q	98.9	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-138.3	129.1	166.6	171.9	64.6	2.3	0	0	108.5	L203 V204 P242 R244 H245 I246 H304	L203-Q302 HydrophobicContact CB-CB 3.77Å; L203-Q302 HydrophobicContact CB-CG 3.74Å; L203-Q302 HydrophobicContact CD1-CB 4.33Å; V204-Q302 HydrophobicContact CG2-CB 4.44Å; V204-Q302 HydrophobicContact CG2-CG 4.25Å; P242-Q302 PolarHBondContact O-NE2 3.07Å; R244-Q302 PolarHBondContact O-NE2 3.4Å; H245-Q302 PolarHBondContact CD2-OE1 3.41Å; I246-Q302 CarbonylContact O-C 3.58Å; I246-Q302 PolarHBondContact O-OE1 3.12Å; Q302-H304 PolarHBondContact O-N 2.96Å; Q302-H304 PolarHBondContact O-ND1 3.01Å
303	L	98.9	Very high	96.9	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.167	C	C	.	.			trans	-56.6	133.4	173.3	177.1	68.2	0	0	0	110.3	W224 P242 I246 I249 L252 W285 H286	W224-L303 HydrophobicContact CH2-CD2 4.21Å; P242-L303 WeakPolarHBondContact CD-O 3.26Å; P242-L303 HydrophobicContact CG-CB 4.34Å; P242-L303 HydrophobicContact CG-CD2 4.5Å; I246-L303 HydrophobicContact CB-CB 4.38Å; I246-L303 HydrophobicContact CG2-CB 4.34Å; I246-L303 HydrophobicContact CG2-CD2 4.1Å; I246-L303 WeakPolarHBondContact O-CB 3.17Å; I246-L303 PolarHBondContact O-N 3.09Å; I249-L303 HydrophobicContact CB-CD1 4.1Å; I249-L303 HydrophobicContact CB-CD2 4.18Å; I249-L303 HydrophobicContact CG1-CD2 4.27Å; L252-L303 HydrophobicContact CD2-CD2 4.09Å; L252-L303 HydrophobicContact CG-CD2 4.35Å; W285-L303 HydrophobicContact CE3-CD1 3.75Å; W285-L303 HydrophobicContact CE3-CG 4.09Å; W285-L303 HydrophobicContact CZ3-CD1 4.24Å; W285-L303 HydrophobicContact CZ3-CD2 4.28Å; W285-L303 HydrophobicContact CZ3-CG 4.07Å; H286-L303 WeakPolarHBondContact O-CA 3.49Å
304	H	98.9	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.5	174.3	58.7	-79.6	0	0	0	111.6	L203 L239 L240 L241 H286 Q302 H306	L203-H304 HydrophobicContact CD1-CB 4.18Å; L203-H304 WeakPolarHBondContact CD1-ND1 3.31Å; L239-H304 HydrophobicContact CD1-CB 4.02Å; L240-H304 CarbonylContact O-C 3.57Å; L240-H304 VanDerWaalsContact O-CA 3.29Å; L240-H304 WeakPolarHBondContact O-CA 3.39Å; L241-H304 HydrophobicContact CB-CB 4.08Å; H286-H304 AromaticContact CG-NE2 3.99Å; H286-H304 PolarHBondContact N-O 3.4Å; H286-H304 AromaticContact ND1-NE2 3.61Å; H286-H304 PolarHBondContact O-N 2.73Å; Q302-H304 PolarHBondContact O-N 2.96Å; Q302-H304 PolarHBondContact O-ND1 3.01Å; H304-H306 AromaticContact CD2-CD2 3.65Å; H304-H306 AromaticContact CD2-CE1 3.65Å; H304-H306 AromaticContact CD2-NE2 3.02Å; H304-H306 PolarHBondContact CD2-NE2 3.49Å; H304-H306 AromaticContact NE2-CD2 3.87Å; H304-H306 AromaticContact NE2-CE1 3.72Å; H304-H306 AromaticContact NE2-NE2 2.95Å; H304-H306 PolarHBondContact NE2-NE2 3.47Å
305	A	98.9	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.8	170.9	0	0	0	0	0	111.2	L239 L240 M283 G284 W285 Y307	L239-A305 WeakPolarHBondContact CA-O 3.15Å; L240-A305 HydrophobicContact CB-CB 4.28Å; L240-A305 HydrophobicContact CD2-CB 4.48Å; L240-A305 PolarHBondContact N-O 3Å; L240-A305 PolarHBondContact O-N 3.4Å; M283-A305 HydrophobicContact CE-CB 4.35Å; G284-A305 VanDerWaalsContact O-CA 3.23Å; G284-A305 WeakPolarHBondContact O-CA 3.48Å; W285-A305 HydrophobicContact CD2-CB 3.79Å; W285-A305 HydrophobicContact CE3-CB 3.68Å; W285-A305 HydrophobicContact CG-CB 4.46Å; W285-A305 HydrophobicContact CH2-CB 4.01Å; W285-A305 HydrophobicContact CZ2-CB 4.11Å; W285-A305 HydrophobicContact CZ3-CB 3.8Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å
306	H	98.9	Very high	96	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.065	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.4	171.3	-61.5	-90.3	0	0	0	110.1	M283 G284 H286 H304 Y308	M283-H306 WeakPolarHBondContact CA-O 3.22Å; M283-H306 WeakPolarHBondContact CB-O 3.22Å; G284-H306 PolarHBondContact N-O 3.34Å; G284-H306 VanDerWaalsContact N-O 3.16Å; G284-H306 PolarHBondContact O-N 2.9Å; H286-H306 AromaticContact CE1-CD2 3.92Å; H286-H306 AromaticContact CE1-NE2 3.9Å; H286-H306 AromaticContact ND1-CD2 3.73Å; H286-H306 AromaticContact ND1-NE2 3.48Å; H286-H306 PolarHBondContact ND1-NE2 2.81Å; H304-H306 AromaticContact CD2-CD2 3.65Å; H304-H306 AromaticContact CD2-CE1 3.65Å; H304-H306 AromaticContact CD2-NE2 3.02Å; H304-H306 PolarHBondContact CD2-NE2 3.49Å; H304-H306 AromaticContact NE2-CD2 3.87Å; H304-H306 AromaticContact NE2-CE1 3.72Å; H304-H306 AromaticContact NE2-NE2 2.95Å; H304-H306 PolarHBondContact NE2-NE2 3.47Å; H306-Y308 HydrophobicContact CB-CD2 4.42Å; H306-Y308 HydrophobicContact CB-CE1 3.95Å; H306-Y308 HydrophobicContact CB-CE2 3.67Å; H306-Y308 WeakPolarHBondContact CB-OH 3.46Å; H306-Y308 AromaticContact CG-CZ 3.73Å; H306-Y308 AromaticContact ND1-CZ 3.89Å; H306-Y308 PolarHBondContact ND1-OH 3.15Å; H306-Y308 VanDerWaalsContact ND1-OH 3.12Å
307	Y	98.9	Very high	95.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.7	166.7	-68.8	-100.5	0	0	0	109.3	Q237 T238 L240 L267 L268 Y271 Y281 M283 A305 P309	Q237-Y307 WeakPolarHBondContact CA-O 3.32Å; Q237-Y307 VanDerWaalsContact CG-O 3.31Å; Q237-Y307 WeakPolarHBondContact CG-O 3.47Å; T238-Y307 PolarHBondContact N-O 2.81Å; T238-Y307 PolarHBondContact O-N 3.36Å; T238-Y307 WeakPolarHBondContact OG1-CB 3.48Å; L240-Y307 HydrophobicContact CB-CE2 4.3Å; L240-Y307 HydrophobicContact CD2-CE2 4.31Å; L267-Y307 HydrophobicContact CD2-CD2 4.07Å; L267-Y307 HydrophobicContact CD2-CE2 3.84Å; L268-Y307 HydrophobicContact CD2-CD1 4.32Å; L268-Y307 HydrophobicContact CD2-CE1 3.77Å; Y271-Y307 HydrophobicContact CE2-CD1 4.09Å; Y271-Y307 HydrophobicContact CE2-CG 4.21Å; Y281-Y307 AromaticContact CD2-CD1 3.98Å; Y281-Y307 HydrophobicContact CD2-CD1 3.98Å; Y281-Y307 HydrophobicContact CD2-CE1 4.44Å; Y281-Y307 HydrophobicContact CE2-CD1 4.12Å; Y281-Y307 HydrophobicContact CE2-CE1 4.12Å; Y281-Y307 HydrophobicContact CG-CD1 4.24Å; M283-Y307 HydrophobicContact CB-CD1 3.48Å; M283-Y307 VanDerWaalsContact CB-CD1 3.48Å; M283-Y307 HydrophobicContact CB-CD2 4.48Å; M283-Y307 HydrophobicContact CB-CE1 3.62Å; M283-Y307 HydrophobicContact CB-CG 3.94Å; M283-Y307 HydrophobicContact CE-CE1 3.99Å; M283-Y307 HydrophobicContact CE-CE2 4.17Å; M283-Y307 WeakPolarHBondContact CE-OH 3.36Å; M283-Y307 HydrophobicContact CG-CD1 4.17Å; M283-Y307 HydrophobicContact CG-CE1 3.83Å; A305-Y307 HydrophobicContact CB-CE2 4.27Å; Y307-P309 VanDerWaalsContact C-CD 3.46Å; Y307-P309 VanDerWaalsContact O-CD 3.23Å; Y307-P309 WeakPolarHBondContact O-CD 3.28Å
308	Y	98.6	Very high	95.4	Very high	42 Å²	42	16.5 Å²	16.5	17%	0.165	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	80.1	-177.5	-56.8	-54.5	0	0	0	111	W234 Q237 S282 H306	W234-Y308 AromaticContact CD1-CD1 3.41Å; W234-Y308 VanDerWaalsContact CD1-CD1 3.41Å; W234-Y308 AromaticContact CD1-CG 3.86Å; W234-Y308 HydrophobicContact CG-CD1 4.3Å; W234-Y308 AromaticContact NE1-CD1 3.87Å; W234-Y308 AromaticContact NE1-CG 3.93Å; Q237-Y308 HydrophobicContact CG-CD1 3.87Å; Q237-Y308 HydrophobicContact CG-CE1 4.07Å; S282-Y308 PolarHBondContact N-O 3.05Å; S282-Y308 PolarHBondContact O-N 3.25Å; H306-Y308 HydrophobicContact CB-CD2 4.42Å; H306-Y308 HydrophobicContact CB-CE1 3.95Å; H306-Y308 HydrophobicContact CB-CE2 3.67Å; H306-Y308 WeakPolarHBondContact CB-OH 3.46Å; H306-Y308 AromaticContact CG-CZ 3.73Å; H306-Y308 AromaticContact ND1-CZ 3.89Å; H306-Y308 PolarHBondContact ND1-OH 3.15Å; H306-Y308 VanDerWaalsContact ND1-OH 3.12Å
309	P	97.9	Very high	95.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.			trans	-82.6	137.7	177.5	30.8	-32.5	0	0	0	112.3	Y236 Y271 F279 P280 Y307	Y236-P309 WeakPolarHBondContact O-CG 3.47Å; Y271-P309 HydrophobicContact CE1-CG 4.16Å; F279-P309 HydrophobicContact CD1-CB 3.89Å; F279-P309 HydrophobicContact CE1-CB 3.17Å; F279-P309 HydrophobicContact CE1-CG 3.8Å; F279-P309 HydrophobicContact CZ-CB 3.93Å; F279-P309 HydrophobicContact CZ-CG 4.48Å; P280-P309 WeakPolarHBondContact O-CB 3.27Å; Y307-P309 VanDerWaalsContact C-CD 3.46Å; Y307-P309 VanDerWaalsContact O-CD 3.23Å; Y307-P309 WeakPolarHBondContact O-CD 3.28Å
310	P	96.1	Very high	94.8	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.026	9%	0.091	C	C	.	.			trans	-84.8	-24.1	-177.4	36.9	-38.6	0	0	0	113.2	M162 M163 W234 P280 K318 K319	M162-P310 HydrophobicContact CG-CG 3.95Å; M162-P310 HydrophobicContact SD-CB 4.01Å; M162-P310 HydrophobicContact SD-CG 3.43Å; M162-P310 WeakPolarHBondContact SD-CG 3.21Å; M163-P310 HydrophobicContact SD-CB 4.05Å; M163-P310 VanDerWaalsContact SD-CD 3.54Å; M163-P310 HydrophobicContact SD-CG 3.47Å; M163-P310 WeakPolarHBondContact SD-CG 3.36Å; W234-P310 HydrophobicContact CE3-CB 4.39Å; W234-P310 HydrophobicContact CZ3-CB 3.88Å; P280-P310 HydrophobicContact CB-CG 4.35Å; P280-P310 HydrophobicContact CG-CG 3.91Å; P280-P310 WeakPolarHBondContact O-CD 3.46Å; P310-K318 HydrophobicContact CB-CB 4.23Å; P310-K318 CarbonylContact O-C 3.49Å; P310-K318 VanDerWaalsContact O-CA 3.3Å; P310-K318 WeakPolarHBondContact O-CA 3.35Å; P310-K318 WeakPolarHBondContact O-CB 3.34Å; P310-K319 PolarHBondContact O-N 3.07Å
311	L	95.2	Very high	94.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.2	-174	-65.2	-176.5	0	0	0	112	M162 Y236 F275 V277 F279 P280 K318	M162-L311 HydrophobicContact CE-CD2 3.69Å; M162-L311 HydrophobicContact SD-CD2 3.8Å; Y236-L311 WeakPolarHBondContact CD2-O 3.21Å; F275-L311 HydrophobicContact CD2-CB 4.06Å; F275-L311 HydrophobicContact CD2-CD1 3.97Å; F275-L311 HydrophobicContact CE2-CB 3.85Å; V277-L311 HydrophobicContact CG1-CD1 4.1Å; F279-L311 HydrophobicContact CD2-CD1 3.72Å; F279-L311 HydrophobicContact CE2-CB 3.81Å; F279-L311 HydrophobicContact CE2-CD1 3.72Å; F279-L311 HydrophobicContact CE2-CG 4.27Å; F279-L311 HydrophobicContact CZ-CB 4.06Å; P280-L311 HydrophobicContact CG-CD1 4.08Å; P280-L311 HydrophobicContact CG-CD2 4.49Å; P280-L311 HydrophobicContact CG-CG 3.93Å; L311-K318 HydrophobicContact CD2-CB 4.33Å
312	L	91.9	Very high	94.4	Very high	11 Å²	11	24 Å²	24	6%	0.058	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-55.7	-173.7	175.6	60.9	0	0	0	112.7	M34 P235 Y236 V317 K319	M34-L312 HydrophobicContact SD-CD1 3.84Å; M34-L312 HydrophobicContact SD-CD2 4.45Å; M34-L312 HydrophobicContact SD-CG 4.2Å; P235-L312 HydrophobicContact CB-CB 4.42Å; P235-L312 HydrophobicContact CB-CD1 3.6Å; P235-L312 HydrophobicContact CG-CB 3.99Å; P235-L312 HydrophobicContact CG-CD1 3.67Å; P235-L312 HydrophobicContact CG-CG 4.37Å; Y236-L312 WeakPolarHBondContact CE2-O 3.35Å; L312-V317 PolarHBondContact N-O 3.37Å; L312-K319 HydrophobicContact CB-CB 4.44Å
313	R	86.7	Confident	94.3	Very high	73 Å²	73	26 Å²	26	28%	0.275	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-31.6	-171.6	-55.1	-169	177.3	-173.3	-1.8	114.4	M34 R36 F275 V317	M34-R313 HydrophobicContact CE-CG 4.11Å; M34-R313 PolarHBondContact O-NH2 3.26Å; R36-R313 VanDerWaalsContact O-CZ 3.31Å; R36-R313 PolarHBondContact O-NH1 3.23Å; R36-R313 PolarHBondContact O-NH2 3.02Å; F275-R313 WeakPolarHBondContact CE1-O 3.48Å; R313-V317 HydrophobicContact CB-CB 4.01Å; R313-V317 HydrophobicContact CB-CG1 3.96Å; R313-V317 HydrophobicContact CG-CG1 3.96Å; R313-V317 PolarHBondContact N-O 2.88Å
314	S	90.3	Very high	94.2	Very high	38 Å²	38	31.4 Å²	31.4	27%	0.266	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	-179.9	-177	67.2	0	0	0	0	109.8	T316 V317	S314-T316 PolarHBondContact O-N 3.39Å; S314-T316 PolarHBondContact OG-N 3.45Å; S314-T316 PolarHBondContact OG-OG1 3.09Å; S314-V317 PolarHBondContact O-N 3.26Å; S314-V317 PolarHBondContact OG-N 3.14Å
315	A	89.1	Confident	94.1	Very high	25 Å²	25	33.2 Å²	33.2	21%	0.207	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-18.8	171.1	0	0	0	0	0	113.9	F275 V277	F275-A315 HydrophobicContact CB-CB 4.15Å; V277-A315 HydrophobicContact CB-CB 4.06Å; V277-A315 HydrophobicContact CG1-CB 4.08Å; V277-A315 HydrophobicContact CG2-CB 4.2Å
316	T	88.2	Confident	94	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.209	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-2	-172.5	59.8	0	0	0	0	113.9	V42 E43 P45 S314	V42-T316 CarbonylContact C-O 3.56Å; V42-T316 WeakPolarHBondContact CA-O 3.25Å; V42-T316 VanDerWaalsContact CG1-CB 3.44Å; V42-T316 HydrophobicContact CG1-CG2 4.18Å; V42-T316 WeakPolarHBondContact CG1-OG1 3.28Å; E43-T316 PolarHBondContact N-O 3.42Å; E43-T316 WeakPolarHBondContact O-CB 3.2Å; E43-T316 WeakPolarHBondContact O-CG2 3.19Å; P45-T316 HydrophobicContact CG-CG2 4.5Å; S314-T316 PolarHBondContact O-N 3.39Å; S314-T316 PolarHBondContact OG-N 3.45Å; S314-T316 PolarHBondContact OG-OG1 3.09Å
317	V	89.3	Confident	93.9	Very high	13 Å²	13	47 Å²	47	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.1	-178.9	178.8	0	0	0	0	110.1	W38 L312 R313 S314	W38-V317 HydrophobicContact CD2-CG1 4.19Å; W38-V317 HydrophobicContact CG-CG1 4.14Å; L312-V317 PolarHBondContact N-O 3.37Å; R313-V317 HydrophobicContact CB-CB 4.01Å; R313-V317 HydrophobicContact CB-CG1 3.96Å; R313-V317 HydrophobicContact CG-CG1 3.96Å; R313-V317 PolarHBondContact N-O 2.88Å; S314-V317 PolarHBondContact O-N 3.26Å; S314-V317 PolarHBondContact OG-N 3.14Å
318	K	91.9	Very high	93.9	Very high	42 Å²	42	50.1 Å²	50.1	18%	0.183	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	161.5	179.8	77.4	-177.3	-171.9	-160.1	0	113.4	E43 M162 P310 L311 F320	E43-K318 HydrophobicContact CG-CD 4.16Å; E43-K318 HydrophobicContact CG-CG 4.43Å; E43-K318 VanDerWaalsContact OE1-CD 3.31Å; E43-K318 WeakPolarHBondContact OE1-CD 3.23Å; E43-K318 WeakPolarHBondContact OE1-CE 3.41Å; E43-K318 IonicContact OE1-NZ 3.63Å; E43-K318 PolarHBondContact OE1-NZ 2.94Å; M162-K318 HydrophobicContact CE-CD 4.46Å; M162-K318 HydrophobicContact CG-CD 3.76Å; M162-K318 HydrophobicContact SD-CB 3.71Å; M162-K318 HydrophobicContact SD-CD 3.44Å; M162-K318 WeakPolarHBondContact SD-CD 3.49Å; M162-K318 HydrophobicContact SD-CG 4.19Å; P310-K318 HydrophobicContact CB-CB 4.23Å; P310-K318 CarbonylContact O-C 3.49Å; P310-K318 VanDerWaalsContact O-CA 3.3Å; P310-K318 WeakPolarHBondContact O-CA 3.35Å; P310-K318 WeakPolarHBondContact O-CB 3.34Å; L311-K318 HydrophobicContact CD2-CB 4.33Å; K318-F320 HydrophobicContact CD-CZ 4.32Å; K318-F320 HydrophobicContact CG-CD2 4.26Å; K318-F320 HydrophobicContact CG-CE1 4.46Å; K318-F320 HydrophobicContact CG-CE2 3.78Å; K318-F320 HydrophobicContact CG-CZ 3.91Å
319	K	92.8	Very high	93.8	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	27%	0.274	C	S	.	.			trans	-76.9	140.3	163.4	177.2	162.7	172.5	75.9	0	109.7	P235 P310 L312 E325 Q331	P235-K319 HydrophobicContact CG-CB 3.72Å; P235-K319 HydrophobicContact CG-CD 4.04Å; P235-K319 HydrophobicContact CG-CG 4.5Å; P310-K319 PolarHBondContact O-N 3.07Å; L312-K319 HydrophobicContact CB-CB 4.44Å; K319-E325 IonicContact NZ-OE1 2.86Å; K319-E325 PolarHBondContact NZ-OE1 3.22Å; K319-Q331 WeakPolarHBondContact CE-O 3.49Å; K319-Q331 PolarHBondContact NZ-O 2.89Å
320	F	92.3	Very high	93.7	Very high	66 Å²	66	52.7 Å²	52.7	29%	0.289	28%	0.284	S	S	.	.			trans	-109.2	124.7	169.4	-64.1	-98.5	0	0	0	107.9	W38 Q41 K318 V322	W38-F320 AromaticContact CH2-CD2 3.94Å; W38-F320 HydrophobicContact CH2-CD2 3.94Å; W38-F320 AromaticContact CH2-CE2 3.7Å; W38-F320 HydrophobicContact CH2-CE2 3.7Å; W38-F320 AromaticContact CZ2-CE2 3.85Å; W38-F320 HydrophobicContact CZ2-CE2 3.85Å; Q41-F320 HydrophobicContact CB-CZ 4.33Å; K318-F320 HydrophobicContact CD-CZ 4.32Å; K318-F320 HydrophobicContact CG-CD2 4.26Å; K318-F320 HydrophobicContact CG-CE1 4.46Å; K318-F320 HydrophobicContact CG-CE2 3.78Å; K318-F320 HydrophobicContact CG-CZ 3.91Å; F320-V322 HydrophobicContact CB-CG1 4.24Å; F320-V322 HydrophobicContact CB-CG2 4.02Å
321	M	94.1	Very high	93.8	Very high	48 Å²	48	52.7 Å²	52.7	24%	0.236	28%	0.284	C	S	.	.			trans	-95.3	88.4	170	-70.7	-168.8	175.6	0	0	108.4	W234 E325	W234-M321 HydrophobicContact CD2-CE 3.49Å; W234-M321 VanDerWaalsContact CD2-CE 3.49Å; W234-M321 HydrophobicContact CD2-SD 4.33Å; W234-M321 HydrophobicContact CE3-CE 4.07Å; W234-M321 HydrophobicContact CG-CE 3.68Å; W234-M321 HydrophobicContact CH2-CE 4.45Å; W234-M321 HydrophobicContact CH2-CG 4.27Å; W234-M321 HydrophobicContact CH2-SD 4.14Å; W234-M321 HydrophobicContact CZ2-CE 3.92Å; W234-M321 HydrophobicContact CZ2-CG 4.33Å; W234-M321 HydrophobicContact CZ2-SD 3.61Å; M321-E325 HydrophobicContact CB-CB 4.34Å
322	V	95.1	Very high	93.8	Very high	77 Å²	77	52.8 Å²	52.8	47%	0.467	28%	0.284	S	S	.	.			trans	-140	175	-172	-65.5	0	0	0	0	110.3	F320 Y324 E325 M326	F320-V322 HydrophobicContact CB-CG1 4.24Å; F320-V322 HydrophobicContact CB-CG2 4.02Å; V322-Y324 PolarHBondContact O-N 3.15Å; V322-E325 PolarHBondContact O-N 3.09Å; V322-M326 HydrophobicContact CB-SD 4.43Å
323	G	97.1	Very high	93.7	Very high	43 Å²	43	53.3 Å²	53.3	44%	0.443	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-106.1	167.5	0	0	0	0	0	113.2	E325 M326 L327	G323-E325 VanDerWaalsContact C-N 3.34Å; G323-E325 PolarHBondContact O-N 3.3Å; G323-M326 PolarHBondContact O-N 3.05Å; G323-L327 WeakPolarHBondContact O-CB 3.48Å; G323-L327 PolarHBondContact O-N 2.65Å; G323-L327 VanDerWaalsContact O-N 3.09Å
324	Y	96.3	Very high	93.9	Very high	115 Å²	115	50.1 Å²	50.1	45%	0.451	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-41.1	178.8	-172.8	-95.3	0	0	0	112	L28 V322 M326 L327 A328 Q329 Q331	L28-Y324 HydrophobicContact CD2-CE1 4.04Å; V322-Y324 PolarHBondContact O-N 3.15Å; Y324-M326 VanDerWaalsContact C-N 3.26Å; Y324-M326 PolarHBondContact O-N 2.97Å; Y324-L327 PolarHBondContact O-N 3Å; Y324-A328 HydrophobicContact CD1-CB 4.37Å; Y324-A328 HydrophobicContact CD2-CB 3.89Å; Y324-A328 HydrophobicContact CE1-CB 4.16Å; Y324-A328 HydrophobicContact CE2-CB 3.63Å; Y324-A328 HydrophobicContact CG-CB 4.25Å; Y324-A328 WeakPolarHBondContact O-CA 3.46Å; Y324-A328 WeakPolarHBondContact O-CB 3.21Å; Y324-A328 PolarHBondContact O-N 3.31Å; Y324-Q329 WeakPolarHBondContact CD1-O 3.27Å; Y324-Q329 HydrophobicContact CE1-CG 3.55Å; Y324-Q329 PolarHBondContact O-N 2.82Å; Y324-Q331 HydrophobicContact CD1-CB 4.47Å
325	E	96.8	Very high	94.2	Very high	37 Å²	37	48.4 Å²	48.4	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-26.7	177.9	-68.9	96.9	133.7	0	0	113.6	K319 M321 V322 G323 Q329 Q331	K319-E325 IonicContact NZ-OE1 2.86Å; K319-E325 PolarHBondContact NZ-OE1 3.22Å; M321-E325 HydrophobicContact CB-CB 4.34Å; V322-E325 PolarHBondContact O-N 3.09Å; G323-E325 VanDerWaalsContact C-N 3.34Å; G323-E325 PolarHBondContact O-N 3.3Å; E325-Q329 WeakPolarHBondContact CA-O 3.37Å; E325-Q331 HydrophobicContact CG-CB 4.16Å
326	M	96.5	Very high	94.6	Very high	145 Å²	145	47.2 Å²	47.2	71%	0.714	25%	0.253	S	S	*	.	H	α-helix	trans	-87.7	-26	177.9	-67.2	178.4	78.6	0	0	113.6	V322 G323 Y324	V322-M326 HydrophobicContact CB-SD 4.43Å; G323-M326 PolarHBondContact O-N 3.05Å; Y324-M326 VanDerWaalsContact C-N 3.26Å; Y324-M326 PolarHBondContact O-N 2.97Å
327	L	97.6	Very high	95.1	Very high	159 Å²	159	47.2 Å²	47.2	83%	0.832	25%	0.251	S	S	*	.	H	α-helix	trans	-111.6	-12.5	-172.1	-66.1	173	0	0	0	114.1	G323 Y324	G323-L327 WeakPolarHBondContact O-CB 3.48Å; G323-L327 PolarHBondContact O-N 2.65Å; G323-L327 VanDerWaalsContact O-N 3.09Å; Y324-L327 PolarHBondContact O-N 3Å
328	A	97.8	Very high	95.4	Very high	65 Å²	65	49.3 Å²	49.3	54%	0.537	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-77.7	-177.4	0	0	0	0	0	112.3	Y324	Y324-A328 HydrophobicContact CD1-CB 4.37Å; Y324-A328 HydrophobicContact CD2-CB 3.89Å; Y324-A328 HydrophobicContact CE1-CB 4.16Å; Y324-A328 HydrophobicContact CE2-CB 3.63Å; Y324-A328 HydrophobicContact CG-CB 4.25Å; Y324-A328 WeakPolarHBondContact O-CA 3.46Å; Y324-A328 WeakPolarHBondContact O-CB 3.21Å; Y324-A328 PolarHBondContact O-N 3.31Å
329	Q	96.5	Very high	95.6	Very high	54 Å²	54	47.3 Å²	47.3	25%	0.252	25%	0.251	S	S	.	.			trans	-162.1	156.9	-177.4	60.5	174.3	83.7	0	0	112.1	Y324 E325	Y324-Q329 WeakPolarHBondContact CD1-O 3.27Å; Y324-Q329 HydrophobicContact CE1-CG 3.55Å; Y324-Q329 PolarHBondContact O-N 2.82Å; E325-Q329 WeakPolarHBondContact CA-O 3.37Å
330	E	97.3	Very high	95.9	Very high	42 Å²	42	46.6 Å²	46.6	20%	0.196	25%	0.248	C	C	.	.			trans	-60.2	140.1	177.6	-62.6	167.6	132.2	0	0	111.3	R23 L28 T233	R23-E330 IonicContact NH1-OE1 2.81Å; L28-E330 PolarHBondContact N-O 3.45Å; T233-E330 HydrophobicContact CG2-CB 3.8Å; T233-E330 HydrophobicContact CG2-CG 4.06Å; T233-E330 WeakPolarHBondContact CG2-OE2 3.48Å
331	Q	96.3	Very high	96.2	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	-178.6	-176.7	-83.3	-34.3	0	0	110.7	L28 R33 K319 Y324 E325 D333	L28-Q331 HydrophobicContact CB-CB 4.19Å; L28-Q331 HydrophobicContact CB-CG 4.08Å; L28-Q331 HydrophobicContact CD2-CB 4.47Å; L28-Q331 HydrophobicContact CD2-CG 3.87Å; L28-Q331 HydrophobicContact CG-CG 3.97Å; L28-Q331 CarbonylContact O-C 3.59Å; L28-Q331 VanDerWaalsContact O-CA 3.27Å; L28-Q331 WeakPolarHBondContact O-CA 3.46Å; R33-Q331 VanDerWaalsContact NH1-CD 3.34Å; K319-Q331 WeakPolarHBondContact CE-O 3.49Å; K319-Q331 PolarHBondContact NZ-O 2.89Å; Y324-Q331 HydrophobicContact CD1-CB 4.47Å; E325-Q331 HydrophobicContact CG-CB 4.16Å; Q331-D333 PolarHBondContact NE2-OD1 3.4Å; Q331-D333 PolarHBondContact OE1-OD1 3.27Å
332	R	95.8	Very high	96.4	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147	174.1	67.3	-177.1	-71.4	124.8	7.4	113.6	V27 L28 V29 S30 A232 W234 P235 L334	V27-R332 HydrophobicContact CG1-CG 4.29Å; L28-R332 PolarHBondContact O-N 2.91Å; V29-R332 HydrophobicContact CB-CG 4.4Å; V29-R332 HydrophobicContact CG1-CG 4.32Å; V29-R332 HydrophobicContact CG2-CG 4.05Å; S30-R332 PolarHBondContact N-O 3.28Å; A232-R332 WeakPolarHBondContact O-CD 3.15Å; A232-R332 PolarHBondContact O-NH1 3.15Å; W234-R332 PolarHBondContact O-NH1 2.86Å; P235-R332 PolarHBondContact O-NH2 3.28Å; R332-L334 PolarHBondContact NE-O 2.89Å; R332-L334 PolarHBondContact NH2-O 2.82Å
333	D	89.9	Confident	96.5	Very high	22 Å²	22	47 Å²	47	12%	0.118	24%	0.244	C	C	.	.	S	Bend	trans	-96	-24.7	-175.1	-61.7	-25.7	0	0	0	113.8	A31 R33 M34 Q331	A31-D333 CarbonylContact C-O 3.46Å; A31-D333 VanDerWaalsContact CA-O 3.26Å; A31-D333 WeakPolarHBondContact CA-O 3.48Å; A31-D333 VanDerWaalsContact O-O 3.12Å; R33-D333 HydrophobicContact CB-CB 3.98Å; R33-D333 VanDerWaalsContact CB-OD1 3.29Å; R33-D333 WeakPolarHBondContact CB-OD1 3.42Å; R33-D333 WeakPolarHBondContact CD-OD1 3.45Å; R33-D333 IonicContact CZ-OD1 3.71Å; R33-D333 IonicContact NE-OD1 3.07Å; R33-D333 IonicContact NH1-OD1 2.92Å; R33-D333 PolarHBondContact NH1-OD1 3.14Å; M34-D333 HydrophobicContact CG-CB 4.12Å; M34-D333 WeakPolarHBondContact CG-O 3.27Å; M34-D333 HydrophobicContact SD-CB 4.19Å; Q331-D333 PolarHBondContact NE2-OD1 3.4Å; Q331-D333 PolarHBondContact OE1-OD1 3.27Å
334	L	91.6	Very high	96.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	24%	0.237	C	C	.	.	S	Bend	trans	-111.7	136.6	-178.1	179.3	70.8	0	0	0	108.4	M34 Y236 R332 Q338 A339	M34-L334 HydrophobicContact CG-CB 4.43Å; Y236-L334 HydrophobicContact CE1-CD2 3.89Å; R332-L334 PolarHBondContact NE-O 2.89Å; R332-L334 PolarHBondContact NH2-O 2.82Å; L334-Q338 HydrophobicContact CD1-CB 3.63Å; L334-Q338 HydrophobicContact CD1-CG 4.49Å; L334-Q338 HydrophobicContact CG-CB 4.12Å; L334-A339 HydrophobicContact CD2-CB 3.73Å; L334-A339 HydrophobicContact CG-CB 4.34Å
335	T	95.8	Very high	96.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.246	C	C	.	.			trans	-69.8	153	177.8	79.9	0	0	0	0	111.7	V29 A31 E337 Q338 A339	V29-T335 HydrophobicContact CG1-CG2 4.29Å; A31-T335 HydrophobicContact CB-CG2 3.78Å; T335-E337 WeakPolarHBondContact CB-OE2 3.45Å; T335-E337 PolarHBondContact O-N 3.31Å; T335-E337 PolarHBondContact OG1-N 3.05Å; T335-E337 PolarHBondContact OG1-OE2 2.88Å; T335-Q338 VanDerWaalsContact N-OE1 3.1Å; T335-Q338 PolarHBondContact O-N 2.92Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.47Å; T335-Q338 PolarHBondContact OG1-N 3.07Å; T335-A339 PolarHBondContact O-N 2.8Å
336	P	98	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-53.9	-37.3	172.4	-31.8	40.6	0	0	0	113.7	R216 V228 A339 A340	R216-P336 HydrophobicContact CG-CB 4.3Å; V228-P336 HydrophobicContact CG1-CB 3.81Å; P336-A339 PolarHBondContact O-N 2.9Å; P336-A340 WeakPolarHBondContact O-CB 3.37Å; P336-A340 PolarHBondContact O-N 3.39Å
337	E	97.8	Very high	96.8	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-45.4	179.8	-60.4	69.3	-142.6	0	0	111.5	R18 E215 R216 T335 A339 A340 E341	R18-E337 IonicContact CZ-OE1 3.7Å; R18-E337 IonicContact CZ-OE2 2.72Å; R18-E337 IonicContact NH1-OE1 3.43Å; R18-E337 PolarHBondContact NH1-OE1 3.46Å; R18-E337 IonicContact NH1-OE2 2.86Å; R18-E337 PolarHBondContact NH1-OE2 3.19Å; R18-E337 IonicContact NH2-OE1 3.66Å; R18-E337 PolarHBondContact NH2-OE1 2.96Å; R18-E337 IonicContact NH2-OE2 3.12Å; R18-E337 PolarHBondContact NH2-OE2 3.45Å; E215-E337 HydrophobicContact CG-CG 4.42Å; R216-E337 WeakPolarHBondContact CD-OE1 3.26Å; R216-E337 HydrophobicContact CG-CG 4.18Å; R216-E337 IonicContact CZ-OE1 3.1Å; R216-E337 IonicContact NE-OE1 2.77Å; R216-E337 IonicContact NH1-OE1 2.72Å; R216-E337 PolarHBondContact NH1-OE1 3.08Å; T335-E337 WeakPolarHBondContact CB-OE2 3.45Å; T335-E337 PolarHBondContact O-N 3.31Å; T335-E337 PolarHBondContact OG1-N 3.05Å; T335-E337 PolarHBondContact OG1-OE2 2.88Å; E337-A339 VanDerWaalsContact C-N 3.33Å; E337-A339 PolarHBondContact O-N 2.92Å; E337-A340 PolarHBondContact O-N 2.77Å; E337-E341 WeakPolarHBondContact O-CB 3.45Å; E337-E341 PolarHBondContact O-N 3.5Å
338	Q	95.8	Very high	96.6	Very high	57 Å²	57	43 Å²	43	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-38.1	176.7	-70.1	171.2	-37.3	0	0	111.9	L334 T335 K342	L334-Q338 HydrophobicContact CD1-CB 3.63Å; L334-Q338 HydrophobicContact CD1-CG 4.49Å; L334-Q338 HydrophobicContact CG-CB 4.12Å; T335-Q338 VanDerWaalsContact N-OE1 3.1Å; T335-Q338 PolarHBondContact O-N 2.92Å; T335-Q338 WeakPolarHBondContact OG1-CG 3.47Å; T335-Q338 PolarHBondContact OG1-N 3.07Å; Q338-K342 WeakPolarHBondContact O-CG 3.24Å; Q338-K342 PolarHBondContact O-N 2.79Å; Q338-K342 VanDerWaalsContact O-N 3.12Å
339	A	97.6	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-45.3	175.7	0	0	0	0	0	111.4	V228 P235 Y236 L334 T335 P336 E337 K342 L343	V228-A339 HydrophobicContact CG1-CB 4.2Å; V228-A339 HydrophobicContact CG2-CB 4.18Å; P235-A339 VanDerWaalsContact O-CB 3.27Å; P235-A339 WeakPolarHBondContact O-CB 3.4Å; Y236-A339 HydrophobicContact CD1-CB 3.96Å; Y236-A339 HydrophobicContact CE1-CB 4.28Å; L334-A339 HydrophobicContact CD2-CB 3.73Å; L334-A339 HydrophobicContact CG-CB 4.34Å; T335-A339 PolarHBondContact O-N 2.8Å; P336-A339 PolarHBondContact O-N 2.9Å; E337-A339 VanDerWaalsContact C-N 3.33Å; E337-A339 PolarHBondContact O-N 2.92Å; A339-K342 PolarHBondContact O-N 2.95Å; A339-L343 WeakPolarHBondContact O-CG 3.22Å; A339-L343 PolarHBondContact O-N 3.06Å; A339-L343 VanDerWaalsContact O-N 3.11Å
340	A	98.6	Very high	96.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-43.7	178.3	0	0	0	0	0	112.3	R216 V218 V228 P336 E337 K342 L343 R344	R216-A340 HydrophobicContact CB-CB 4.39Å; R216-A340 WeakPolarHBondContact O-CB 3.38Å; V218-A340 HydrophobicContact CG2-CB 4.32Å; V228-A340 HydrophobicContact CB-CB 4.09Å; V228-A340 HydrophobicContact CG2-CB 3.78Å; P336-A340 WeakPolarHBondContact O-CB 3.37Å; P336-A340 PolarHBondContact O-N 3.39Å; E337-A340 PolarHBondContact O-N 2.77Å; A340-K342 PolarHBondContact O-N 3.38Å; A340-L343 PolarHBondContact O-N 2.91Å; A340-R344 WeakPolarHBondContact O-CB 3.41Å; A340-R344 PolarHBondContact O-N 2.6Å
341	E	98.1	Very high	96.5	Very high	106 Å²	106	39.8 Å²	39.8	50%	0.495	19%	0.192	S	C	.	.	H	α-helix	trans	-57	-47.9	175.7	-179.5	178.6	-150.5	0	0	111.8	E337 L343 R344 N345	E337-E341 WeakPolarHBondContact O-CB 3.45Å; E337-E341 PolarHBondContact O-N 3.5Å; E341-L343 PolarHBondContact O-N 3.4Å; E341-R344 PolarHBondContact O-N 2.89Å; E341-N345 WeakPolarHBondContact O-CB 3.18Å; E341-N345 VanDerWaalsContact O-CG 3.24Å; E341-N345 PolarHBondContact O-N 3.02Å; E341-N345 VanDerWaalsContact O-N 3.14Å; E341-N345 PolarHBondContact O-ND2 3.01Å
342	K	97.8	Very high	96.2	Very high	94 Å²	94	43 Å²	43	41%	0.409	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-50.3	176.5	-76.5	-178.2	176.4	-168.2	0	112.1	Y236 L274 Q338 A339 A340 L346	Y236-K342 HydrophobicContact CE1-CB 4.21Å; Y236-K342 HydrophobicContact CE1-CD 3.99Å; Y236-K342 WeakPolarHBondContact OH-CD 3.43Å; Y236-K342 PolarHBondContact OH-NZ 2.88Å; L274-K342 HydrophobicContact CD1-CB 4.45Å; Q338-K342 WeakPolarHBondContact O-CG 3.24Å; Q338-K342 PolarHBondContact O-N 2.79Å; Q338-K342 VanDerWaalsContact O-N 3.12Å; A339-K342 PolarHBondContact O-N 2.95Å; A340-K342 PolarHBondContact O-N 3.38Å; K342-L346 WeakPolarHBondContact O-CG 3.42Å
343	L	98.6	Very high	95.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-45.3	-177.9	-69.2	171.1	0	0	0	112	V218 V228 Y236 T238 K270 Y271 L274 A339 A340 E341 N345 L346	V218-L343 HydrophobicContact CG1-CB 3.47Å; V218-L343 VanDerWaalsContact CG1-CB 3.47Å; V218-L343 HydrophobicContact CG1-CD1 4.15Å; V218-L343 HydrophobicContact CG1-CG 4.44Å; V218-L343 HydrophobicContact CG2-CB 4.26Å; V218-L343 HydrophobicContact CG2-CD1 3.97Å; V228-L343 HydrophobicContact CG2-CD1 4.13Å; Y236-L343 HydrophobicContact CD1-CD1 4.2Å; Y236-L343 HydrophobicContact CD1-CD2 4.18Å; Y236-L343 HydrophobicContact CD1-CG 3.96Å; T238-L343 HydrophobicContact CG2-CD1 4.12Å; K270-L343 WeakPolarHBondContact CD-O 3.44Å; Y271-L343 HydrophobicContact CD1-CD2 3.82Å; Y271-L343 HydrophobicContact CE1-CD1 4.13Å; Y271-L343 HydrophobicContact CE1-CD2 4.06Å; L274-L343 HydrophobicContact CD2-CD2 4Å; A339-L343 WeakPolarHBondContact O-CG 3.22Å; A339-L343 PolarHBondContact O-N 3.06Å; A339-L343 VanDerWaalsContact O-N 3.11Å; A340-L343 PolarHBondContact O-N 2.91Å; E341-L343 PolarHBondContact O-N 3.4Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 3.14Å; L343-L346 HydrophobicContact CD2-CD1 4.43Å; L343-L346 WeakPolarHBondContact O-CB 3.26Å; L343-L346 PolarHBondContact O-N 2.67Å
344	R	98.5	Very high	95.9	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-41.1	-178.7	175.5	170.8	39.8	-135.1	-6.1	112	K214 E215 V217 K270 A340 E341 L346	K214-R344 PolarHBondContact O-NH1 3.2Å; E215-R344 PolarHBondContact O-NH1 3.44Å; E215-R344 PolarHBondContact O-NH2 2.86Å; V217-R344 WeakPolarHBondContact O-CD 3.46Å; V217-R344 PolarHBondContact O-NH1 2.79Å; K270-R344 PolarHBondContact NZ-O 2.79Å; A340-R344 WeakPolarHBondContact O-CB 3.41Å; A340-R344 PolarHBondContact O-N 2.6Å; E341-R344 PolarHBondContact O-N 2.89Å; R344-L346 PolarHBondContact O-N 3.36Å
345	N	98.1	Very high	95.5	Very high	120 Å²	120	50.8 Å²	50.8	64%	0.642	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.9	-177.3	-68.1	-15.3	0	0	0	114.4	E341 L343	E341-N345 WeakPolarHBondContact O-CB 3.18Å; E341-N345 VanDerWaalsContact O-CG 3.24Å; E341-N345 PolarHBondContact O-N 3.02Å; E341-N345 VanDerWaalsContact O-N 3.14Å; E341-N345 PolarHBondContact O-ND2 3.01Å; L343-N345 VanDerWaalsContact C-N 3.3Å; L343-N345 PolarHBondContact O-N 3.14Å
346	L	98.2	Very high	94.9	Very high	34 Å²	34	54.9 Å²	54.9	18%	0.178	27%	0.266	C	S	.	.	S	Bend	trans	-77.1	150.8	176.2	-68.7	165.7	0	0	0	112.1	K270 N273 L274 K342 L343 R344	K270-L346 HydrophobicContact CB-CB 4.44Å; K270-L346 HydrophobicContact CG-CB 4.25Å; K270-L346 PolarHBondContact NZ-O 2.7Å; K270-L346 WeakPolarHBondContact O-CD1 3.44Å; N273-L346 HydrophobicContact CB-CB 4.42Å; L274-L346 VanDerWaalsContact CA-CD1 3.48Å; L274-L346 HydrophobicContact CB-CD1 3.68Å; L274-L346 HydrophobicContact CD1-CD1 3.8Å; L274-L346 HydrophobicContact CG-CD1 4.33Å; K342-L346 WeakPolarHBondContact O-CG 3.42Å; L343-L346 HydrophobicContact CD2-CD1 4.43Å; L343-L346 WeakPolarHBondContact O-CB 3.26Å; L343-L346 PolarHBondContact O-N 2.67Å; R344-L346 PolarHBondContact O-N 3.36Å
347	P	97.3	Very high	94.3	Very high	64 Å²	64	60.8 Å²	60.8	42%	0.416	29%	0.288	S	S	.	.			trans	-60.9	152	176.1	-21.3	32.7	0	0	0	112.9	N273	N273-P347 PolarHBondContact ND2-O 2.77Å
348	E	94.1	Very high	93.5	Very high	118 Å²	118	63.2 Å²	63.2	55%	0.551	30%	0.302	S	S	*	.	S	Bend	trans	-85.7	-17.8	172.8	-64.7	-177.6	-176.6	0	0	113	T269	T269-E348 VanDerWaalsContact CG2-O 3.22Å; T269-E348 WeakPolarHBondContact CG2-O 3.48Å
349	E	95.9	Very high	92.7	Very high	66 Å²	66	65.3 Å²	65.3	31%	0.308	31%	0.311	S	S	.	.	S	Bend	trans	-79.4	129.4	170.7	-174.2	175.7	-157.8	0	0	109.6	N273 R354 R357	N273-E349 PolarHBondContact ND2-O 3.27Å; E349-R354 HydrophobicContact CB-CG 4.35Å; E349-R354 HydrophobicContact CG-CG 3.75Å; E349-R354 PolarHBondContact O-NH1 3.29Å; E349-R354 WeakPolarHBondContact OE2-CG 3.5Å; E349-R357 IonicContact OE1-CZ 3.12Å; E349-R357 IonicContact OE1-NH1 3.33Å; E349-R357 PolarHBondContact OE1-NH1 3.11Å; E349-R357 IonicContact OE1-NH2 3.91Å; E349-R357 PolarHBondContact OE1-NH2 3.1Å; E349-R357 IonicContact OE2-CZ 3.42Å; E349-R357 IonicContact OE2-NH1 3.48Å; E349-R357 PolarHBondContact OE2-NH1 3.37Å; E349-R357 IonicContact OE2-NH2 3.8Å; E349-R357 PolarHBondContact OE2-NH2 3.04Å
350	H	97	Very high	91.7	Very high	8 Å²	8	71 Å²	71	4%	0.037	34%	0.337	C	S	.	.			trans	-69.2	139.4	-179.2	-169.7	-77.5	0	0	0	112.2	L126 T269 D272 K352 T353 R354	L126-H350 HydrophobicContact CD2-CB 4.45Å; T269-H350 VanDerWaalsContact CG2-CA 3.49Å; T269-H350 HydrophobicContact CG2-CB 3.71Å; D272-H350 VanDerWaalsContact CB-NE2 3.33Å; D272-H350 WeakPolarHBondContact CB-NE2 3.42Å; D272-H350 IonicContact OD2-NE2 2.74Å; D272-H350 PolarHBondContact OD2-NE2 2.8Å; H350-K352 VanDerWaalsContact C-N 3.35Å; H350-K352 PolarHBondContact ND1-N 3.48Å; H350-K352 VanDerWaalsContact ND1-N 3.17Å; H350-K352 PolarHBondContact O-N 2.95Å; H350-T353 WeakPolarHBondContact O-CB 3.44Å; H350-T353 PolarHBondContact O-N 2.9Å; H350-R354 PolarHBondContact O-N 3.27Å
351	Y	94.9	Very high	90.6	Very high	20 Å²	20	73.9 Å²	73.9	8%	0.078	36%	0.361	C	S	.	.	H	α-helix	trans	-54.5	-44.5	-175.9	75.8	-86.7	0	0	0	113.3	D272 N273 E276 T353 R354 E355	D272-Y351 HydrophobicContact CB-CE1 4.2Å; N273-Y351 PolarHBondContact OD1-N 3.03Å; E276-Y351 HydrophobicContact CB-CD1 4.39Å; E276-Y351 HydrophobicContact CB-CD2 4.12Å; E276-Y351 HydrophobicContact CB-CE2 4.48Å; E276-Y351 HydrophobicContact CB-CG 4.08Å; E276-Y351 HydrophobicContact CG-CG 4.27Å; Y351-T353 VanDerWaalsContact C-N 3.26Å; Y351-T353 PolarHBondContact O-N 2.67Å; Y351-R354 VanDerWaalsContact CB-NH2 3.32Å; Y351-R354 WeakPolarHBondContact O-CB 2.99Å; Y351-R354 PolarHBondContact O-N 2.8Å; Y351-R354 VanDerWaalsContact O-N 3.08Å; Y351-E355 PolarHBondContact O-N 2.74Å
352	K	91.4	Very high	89.4	Confident	74 Å²	74	76.5 Å²	76.5	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-55.5	-35.1	174.1	-68.9	-175.8	173.2	-176.3	0	114.3	L126 H350 N356	L126-K352 HydrophobicContact CD1-CD 4.23Å; H350-K352 VanDerWaalsContact C-N 3.35Å; H350-K352 PolarHBondContact ND1-N 3.48Å; H350-K352 VanDerWaalsContact ND1-N 3.17Å; H350-K352 PolarHBondContact O-N 2.95Å; K352-N356 WeakPolarHBondContact O-CB 3.32Å; K352-N356 PolarHBondContact O-N 2.93Å; K352-N356 VanDerWaalsContact O-N 3.14Å; K352-N356 PolarHBondContact O-ND2 3.41Å
353	T	89.8	Confident	88.1	Confident	70 Å²	70	82.3 Å²	82.3	43%	0.429	39%	0.392	S	S	.	.	H	α-helix	trans	-72.4	-41	177.6	-52.7	0	0	0	0	110.8	H350 Y351 N356 R357	H350-T353 WeakPolarHBondContact O-CB 3.44Å; H350-T353 PolarHBondContact O-N 2.9Å; Y351-T353 VanDerWaalsContact C-N 3.26Å; Y351-T353 PolarHBondContact O-N 2.67Å; T353-N356 PolarHBondContact O-N 3.02Å; T353-R357 PolarHBondContact O-N 3.08Å
354	R	88.8	Confident	86.2	Confident	46 Å²	46	93.2 Å²	93.2	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-59.7	-50.6	174.4	-60.5	-170.7	-58.9	-110.6	6.6	111.1	N273 E276 E349 H350 Y351 N356 R357 D358	N273-R354 PolarHBondContact ND2-NH1 2.66Å; E276-R354 IonicContact OE1-NH2 3.79Å; E276-R354 PolarHBondContact OE1-NH2 3.27Å; E276-R354 VanDerWaalsContact OE1-NH2 3.12Å; E349-R354 HydrophobicContact CB-CG 4.35Å; E349-R354 HydrophobicContact CG-CG 3.75Å; E349-R354 PolarHBondContact O-NH1 3.29Å; E349-R354 WeakPolarHBondContact OE2-CG 3.5Å; H350-R354 PolarHBondContact O-N 3.27Å; Y351-R354 VanDerWaalsContact CB-NH2 3.32Å; Y351-R354 WeakPolarHBondContact O-CB 2.99Å; Y351-R354 PolarHBondContact O-N 2.8Å; Y351-R354 VanDerWaalsContact O-N 3.08Å; R354-N356 VanDerWaalsContact C-N 3.33Å; R354-N356 PolarHBondContact O-N 3Å; R354-R357 PolarHBondContact O-N 3.2Å; R354-D358 VanDerWaalsContact O-CG 3.23Å; R354-D358 PolarHBondContact O-N 3.04Å
355	E	84.6	Confident	85.5	Confident	77 Å²	77	94 Å²	94	36%	0.36	45%	0.447	S	S	.	.	H	α-helix	trans	-59.3	-41.6	179.4	-73.3	-178.3	-167.5	0	0	113	Y351 D358 K359	Y351-E355 PolarHBondContact O-N 2.74Å; E355-D358 PolarHBondContact O-N 3.12Å; E355-K359 WeakPolarHBondContact O-CB 3.34Å; E355-K359 VanDerWaalsContact O-CG 3.23Å; E355-K359 WeakPolarHBondContact O-CG 3.16Å; E355-K359 PolarHBondContact O-N 3.24Å; E355-K359 IonicContact OE2-NZ 3.43Å
356	N	81.6	Confident	84.9	Confident	89 Å²	89	92.6 Å²	92.6	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-65.6	-43.1	178.2	-74.9	-17.1	0	0	0	111.4	K352 T353 R354 D358 K359 E360	K352-N356 WeakPolarHBondContact O-CB 3.32Å; K352-N356 PolarHBondContact O-N 2.93Å; K352-N356 VanDerWaalsContact O-N 3.14Å; K352-N356 PolarHBondContact O-ND2 3.41Å; T353-N356 PolarHBondContact O-N 3.02Å; R354-N356 VanDerWaalsContact C-N 3.33Å; R354-N356 PolarHBondContact O-N 3Å; N356-D358 VanDerWaalsContact C-N 3.34Å; N356-D358 PolarHBondContact O-N 3.16Å; N356-K359 PolarHBondContact O-N 2.81Å; N356-E360 WeakPolarHBondContact O-CG 3.4Å; N356-E360 PolarHBondContact O-N 3.1Å
357	R	84.9	Confident	84.1	Confident	124 Å²	124	95.9 Å²	95.9	47%	0.468	45%	0.451	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.3	-177.6	176.2	65.2	-145.1	-6.5	111.8	E349 T353 R354 E360 A361	E349-R357 IonicContact OE1-CZ 3.12Å; E349-R357 IonicContact OE1-NH1 3.33Å; E349-R357 PolarHBondContact OE1-NH1 3.11Å; E349-R357 IonicContact OE1-NH2 3.91Å; E349-R357 PolarHBondContact OE1-NH2 3.1Å; E349-R357 IonicContact OE2-CZ 3.42Å; E349-R357 IonicContact OE2-NH1 3.48Å; E349-R357 PolarHBondContact OE2-NH1 3.37Å; E349-R357 IonicContact OE2-NH2 3.8Å; E349-R357 PolarHBondContact OE2-NH2 3.04Å; T353-R357 PolarHBondContact O-N 3.08Å; R354-R357 PolarHBondContact O-N 3.2Å; R357-E360 PolarHBondContact O-N 2.84Å; R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 3.18Å
358	D	80.9	Confident	83.4	Confident	84 Å²	84	97.8 Å²	97.8	45%	0.449	45%	0.453	S	S	.	.	H	α-helix	trans	-67.6	-39.4	180	-65.1	-15.5	0	0	0	111.4	R354 E355 N356 A361 Q362	R354-D358 VanDerWaalsContact O-CG 3.23Å; R354-D358 PolarHBondContact O-N 3.04Å; E355-D358 PolarHBondContact O-N 3.12Å; N356-D358 VanDerWaalsContact C-N 3.34Å; N356-D358 PolarHBondContact O-N 3.16Å; D358-A361 PolarHBondContact O-N 3.13Å; D358-Q362 VanDerWaalsContact O-CG 3.32Å; D358-Q362 WeakPolarHBondContact O-CG 3.49Å; D358-Q362 PolarHBondContact O-N 2.83Å
359	K	79.5	Confident	82.7	Confident	101 Å²	101	96.5 Å²	96.5	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-38.2	172.7	-73.7	168.8	-171.7	165.4	0	112.2	E355 N356 R363	E355-K359 WeakPolarHBondContact O-CB 3.34Å; E355-K359 VanDerWaalsContact O-CG 3.23Å; E355-K359 WeakPolarHBondContact O-CG 3.16Å; E355-K359 PolarHBondContact O-N 3.24Å; E355-K359 IonicContact OE2-NZ 3.43Å; N356-K359 PolarHBondContact O-N 2.81Å; K359-R363 VanDerWaalsContact O-CG 3.28Å; K359-R363 WeakPolarHBondContact O-CG 3.39Å; K359-R363 PolarHBondContact O-N 3.24Å
360	E	77.9	Confident	81.8	Confident	119 Å²	119	98.5 Å²	98.5	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-69.2	-38.3	174.9	-76	179.7	-173.3	0	0	112.3	N356 R357 R363 K364	N356-E360 WeakPolarHBondContact O-CG 3.4Å; N356-E360 PolarHBondContact O-N 3.1Å; R357-E360 PolarHBondContact O-N 2.84Å; E360-R363 PolarHBondContact O-N 3.21Å; E360-K364 PolarHBondContact O-N 3.04Å
361	A	75.4	Confident	80.7	Confident	60 Å²	60	105 Å²	105	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-67.4	-34.5	176.5	0	0	0	0	0	112.5	R357 D358 R363	R357-A361 WeakPolarHBondContact O-CB 3.39Å; R357-A361 PolarHBondContact O-N 3.18Å; D358-A361 PolarHBondContact O-N 3.13Å; A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 3.42Å
362	Q	71.3	Confident	79.7	Confident	162 Å²	162	111.5 Å²	111.5	76%	0.757	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-16	174.8	-71.8	173.5	9	0	0	113.9	D358	D358-Q362 VanDerWaalsContact O-CG 3.32Å; D358-Q362 WeakPolarHBondContact O-CG 3.49Å; D358-Q362 PolarHBondContact O-N 2.83Å
363	R	71.3	Confident	78.7	Confident	216 Å²	216	114.7 Å²	114.7	82%	0.815	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.4	177.5	-74.7	174	179.3	-172.5	0.5	113.4	K359 E360 A361	K359-R363 VanDerWaalsContact O-CG 3.28Å; K359-R363 WeakPolarHBondContact O-CG 3.39Å; K359-R363 PolarHBondContact O-N 3.24Å; E360-R363 PolarHBondContact O-N 3.21Å; A361-R363 VanDerWaalsContact C-N 3.28Å; A361-R363 PolarHBondContact O-N 3.42Å
364	K	58.1	Low	77.7	Confident	228 Å²	228	118.7 Å²	118.7	99%	0.991	54%	0.544	S	S	*	.			trans	-100.3	0	174.3	-70.6	179.1	-179.4	174.6	0	109.3	E360	E360-K364 PolarHBondContact O-N 3.04Å

Retrieved 364 of 364 residues in 85.4 ms (Link to these results)

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