A0A087Y3L9_POEFO Loading...

Aldo-keto reductase family 1 member D1

AlphaFold DB , UniProt , Accession A0A087Y3L9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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	43.3	Very low	35.3	Very low	210 Å²	210	140.7 Å²	140.7	100%	1.034	68%	0.683	S	S	*	*				0	-34.7	0	-80.9	-176.4	-81	0	0	111.9	H3 F4	M1-H3 PolarHBondContact O-N 3.36Å; M1-F4 PolarHBondContact O-N 3.42Å
2	E	36.2	Very low	34.9	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	68%	0.677	S	S	*	*	H	α-helix	trans	-65.6	-31.1	176.1	-71	172.6	154.7	0	0	114.8	F4 Q5	E2-F4 VanDerWaalsContact C-N 3.31Å; E2-F4 PolarHBondContact O-N 2.98Å; E2-Q5 PolarHBondContact O-N 2.94Å
3	H	31.9	Very low	34.8	Very low	168 Å²	168	135.9 Å²	135.9	78%	0.778	67%	0.667	S	S	*	*	H	α-helix	trans	-70.8	-19.1	178.8	-96.5	-44.6	0	0	0	115.5	M1	M1-H3 PolarHBondContact O-N 3.36Å
4	F	34	Very low	35.3	Very low	166 Å²	166	137.3 Å²	137.3	73%	0.728	66%	0.661	S	S	*	*	H	α-helix	trans	-85	-36.1	177	-92.6	-94.3	0	0	0	111.8	M1 E2 V6 K7 E8	M1-F4 PolarHBondContact O-N 3.42Å; E2-F4 VanDerWaalsContact C-N 3.31Å; E2-F4 PolarHBondContact O-N 2.98Å; F4-V6 VanDerWaalsContact C-N 3.33Å; F4-V6 PolarHBondContact O-N 3.35Å; F4-K7 PolarHBondContact O-N 3.24Å; F4-E8 PolarHBondContact O-N 3.36Å
5	Q	32.3	Very low	35.3	Very low	126 Å²	126	137.3 Å²	137.3	59%	0.589	66%	0.66	S	S	*	*	H	α-helix	trans	-66.5	-30.4	177.4	-95.5	165.5	-31.9	0	0	113.6	E2 K7 N9	E2-Q5 PolarHBondContact O-N 2.94Å; Q5-K7 VanDerWaalsContact C-N 3.35Å; Q5-N9 WeakPolarHBondContact O-CB 3.37Å; Q5-N9 PolarHBondContact O-N 3.42Å
6	V	39.2	Very low	35.2	Very low	88 Å²	88	139.4 Å²	139.4	53%	0.533	67%	0.668	S	S	.	*	H	α-helix	trans	-70.7	-31.4	176.4	179.7	0	0	0	0	111.9	F4 Q10	F4-V6 VanDerWaalsContact C-N 3.33Å; F4-V6 PolarHBondContact O-N 3.35Å; V6-Q10 PolarHBondContact O-N 3.5Å
7	K	38	Very low	35.7	Very low	154 Å²	154	138.5 Å²	138.5	67%	0.67	67%	0.668	S	S	*	*	H	α-helix	trans	-77.5	-39.3	178	-77.6	-171	174	-172.2	0	112.6	F4 Q5 Q10 V11	F4-K7 PolarHBondContact O-N 3.24Å; Q5-K7 VanDerWaalsContact C-N 3.35Å; K7-Q10 PolarHBondContact O-N 3.35Å; K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 3.28Å
8	E	31.8	Very low	36.4	Very low	136 Å²	136	136 Å²	136	64%	0.636	65%	0.653	S	S	*	*	H	α-helix	trans	-65.1	-38.6	174.8	-84.1	179.2	154.6	0	0	112.4	F4 Q10 V11 Q12	F4-E8 PolarHBondContact O-N 3.36Å; E8-Q10 VanDerWaalsContact C-N 3.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; E8-V11 PolarHBondContact O-N 3.4Å; E8-Q12 PolarHBondContact O-N 3.2Å; E8-Q12 VanDerWaalsContact O-N 3.09Å
9	N	29.8	Very low	36.2	Very low	103 Å²	103	131.1 Å²	131.1	55%	0.551	64%	0.642	S	S	*	*	H	α-helix	trans	-65.7	-33.4	176	-86.3	-11.1	0	0	0	113.1	Q5 T13	Q5-N9 WeakPolarHBondContact O-CB 3.37Å; Q5-N9 PolarHBondContact O-N 3.42Å; N9-T13 PolarHBondContact O-N 3.43Å; N9-T13 VanDerWaalsContact O-N 3.13Å; N9-T13 PolarHBondContact O-OG1 3.23Å
10	Q	35.3	Very low	36.2	Very low	130 Å²	130	131.1 Å²	131.1	61%	0.607	65%	0.654	S	S	*	*	H	α-helix	trans	-69.9	-34.2	175.2	-80.1	-171.6	-11.1	0	0	113	V6 K7 E8 T13	V6-Q10 PolarHBondContact O-N 3.5Å; K7-Q10 PolarHBondContact O-N 3.35Å; E8-Q10 VanDerWaalsContact C-N 3.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.43Å; Q10-T13 PolarHBondContact O-OG1 3.27Å
11	V	36.4	Very low	35.8	Very low	103 Å²	103	127.7 Å²	127.7	62%	0.624	65%	0.652	S	S	*	*	H	α-helix	trans	-70	-41.5	176.8	176.5	0	0	0	0	110.9	K7 E8 R14	K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 3.28Å; E8-V11 PolarHBondContact O-N 3.4Å; V11-R14 PolarHBondContact O-N 3.25Å
12	Q	30.2	Very low	35.3	Very low	129 Å²	129	121 Å²	121	60%	0.603	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-36.2	176.4	-84.4	-174.9	-17.6	0	0	113.3	E8 R14 Q15	E8-Q12 PolarHBondContact O-N 3.2Å; E8-Q12 VanDerWaalsContact O-N 3.09Å; Q12-R14 PolarHBondContact O-N 3.39Å; Q12-Q15 PolarHBondContact O-N 3.09Å
13	T	33.8	Very low	35.5	Very low	90 Å²	90	119.5 Å²	119.5	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-66.1	-18.8	178.2	38	0	0	0	0	114.6	N9 Q10	N9-T13 PolarHBondContact O-N 3.43Å; N9-T13 VanDerWaalsContact O-N 3.13Å; N9-T13 PolarHBondContact O-OG1 3.23Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.43Å; Q10-T13 PolarHBondContact O-OG1 3.27Å
14	R	42	Very low	36.8	Very low	155 Å²	155	115.7 Å²	115.7	59%	0.585	63%	0.628	S	S	*	*	H	α-helix	trans	-84.9	-19.1	177.4	-74.7	-172	-179.2	-178.4	4.9	113.9	V11 Q12 Q16	V11-R14 PolarHBondContact O-N 3.25Å; Q12-R14 PolarHBondContact O-N 3.39Å; R14-Q16 VanDerWaalsContact C-N 3.35Å
15	Q	34.5	Very low	38.7	Very low	138 Å²	138	111.7 Å²	111.7	65%	0.645	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-11.5	178.1	-83.7	-179.5	-29.7	0	0	113.8	Q12	Q12-Q15 PolarHBondContact O-N 3.09Å
16	Q	34.6	Very low	41.5	Very low	170 Å²	170	108.2 Å²	108.2	79%	0.794	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	8.8	-174.1	-91.2	-177.6	-16.9	0	0	116.1	R14 F18	R14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-F18 PolarHBondContact O-N 3.42Å
17	L	42.7	Very low	44.3	Very low	125 Å²	125	106.9 Å²	106.9	65%	0.654	59%	0.594	S	S	*	*			trans	-87.7	14.2	-172.9	-80.5	167.8	0	0	0	116.2
18	F	49.5	Very low	47.1	Very low	93 Å²	93	101 Å²	101	41%	0.408	57%	0.569	S	S	.	*			trans	-124	81.8	-175.5	-55.8	-66	0	0	0	111.5	Q16 L38	Q16-F18 PolarHBondContact O-N 3.42Å; F18-L38 HydrophobicContact CE1-CD1 4.35Å; F18-L38 HydrophobicContact CZ-CD1 4.37Å
19	G	31.5	Very low	50.3	Low	43 Å²	43	98.2 Å²	98.2	44%	0.443	56%	0.563	S	S	.	*			trans	-94.7	152.5	165.7	0	0	0	0	0	110.7
20	C	36.3	Very low	53.6	Low	130 Å²	130	93.7 Å²	93.7	88%	0.878	54%	0.538	S	S	*	.			trans	-85.3	126.9	178.4	-70.5	0	0	0	0	111.8
21	G	29.2	Very low	56.6	Low	60 Å²	60	90 Å²	90	62%	0.619	53%	0.527	S	S	*	.	S	Bend	trans	133	117.2	150.4	0	0	0	0	0	116
22	G	32.5	Very low	59.5	Low	69 Å²	69	87.4 Å²	87.4	71%	0.711	51%	0.51	S	S	*	.	S	Bend	trans	65.6	109.8	157	0	0	0	0	0	117.5	E24	G22-E24 VanDerWaalsContact C-N 3.31Å; G22-E24 PolarHBondContact O-N 3.27Å
23	S	41	Very low	62.8	Low	134 Å²	134	84.4 Å²	84.4	94%	0.937	51%	0.513	S	S	*	.	S	Bend	trans	55	30.8	172.8	81.2	0	0	0	0	116.9	S25	S23-S25 PolarHBondContact O-N 3.21Å
24	E	57.4	Low	65.9	Low	88 Å²	88	82.8 Å²	82.8	41%	0.411	50%	0.502	S	S	.	.			trans	-75.8	120.3	171.2	-71.3	-168.1	171.9	0	0	110.5	G22 H26	G22-E24 VanDerWaalsContact C-N 3.31Å; G22-E24 PolarHBondContact O-N 3.27Å; E24-H26 PolarHBondContact O-CE1 2.76Å; E24-H26 PolarHBondContact O-N 2.63Å; E24-H26 PolarHBondContact O-ND1 2.83Å
25	S	74	Confident	68.5	Low	82 Å²	82	80.6 Å²	80.6	57%	0.573	50%	0.498	S	S	*	.			trans	-64.1	112.7	174.4	167.1	0	0	0	0	110.1	S23 N27	S23-S25 PolarHBondContact O-N 3.21Å; S25-N27 PolarHBondContact O-N 3.19Å; S25-N27 WeakPolarHBondContact OG-CB 3.35Å; S25-N27 PolarHBondContact OG-ND2 3.27Å
26	H	92.6	Very high	71.6	Confident	53 Å²	53	74 Å²	74	25%	0.245	47%	0.467	C	S	.	.			trans	-79.6	37.7	177	-52.9	-47.1	0	0	0	112.9	E24 L38 F305	E24-H26 PolarHBondContact O-CE1 2.76Å; E24-H26 PolarHBondContact O-N 2.63Å; E24-H26 PolarHBondContact O-ND1 2.83Å; H26-L38 VanDerWaalsContact O-CB 3.29Å; H26-L38 WeakPolarHBondContact O-CB 3.33Å; H26-L38 WeakPolarHBondContact O-CG 3.32Å; H26-L38 PolarHBondContact O-N 2.72Å; H26-F305 HydrophobicContact CB-CD1 4.36Å; H26-F305 HydrophobicContact CB-CE1 3.75Å; H26-F305 HydrophobicContact CB-CE2 4.44Å; H26-F305 HydrophobicContact CB-CZ 3.79Å; H26-F305 AromaticContact CD2-CD1 3.9Å; H26-F305 AromaticContact CD2-CD2 3.44Å; H26-F305 VanDerWaalsContact CD2-CD2 3.44Å; H26-F305 WeakPolarHBondContact CD2-CD2 3.19Å; H26-F305 AromaticContact CD2-CE1 3.89Å; H26-F305 AromaticContact CD2-CE2 3.44Å; H26-F305 VanDerWaalsContact CD2-CE2 3.44Å; H26-F305 WeakPolarHBondContact CD2-CE2 3.41Å; H26-F305 AromaticContact CD2-CG 3.68Å; H26-F305 AromaticContact CD2-CZ 3.67Å; H26-F305 AromaticContact CE1-CD1 3.76Å; H26-F305 AromaticContact CE1-CG 3.57Å; H26-F305 AromaticContact CG-CD1 3.7Å; H26-F305 AromaticContact CG-CE1 3.55Å; H26-F305 AromaticContact CG-CE2 3.96Å; H26-F305 AromaticContact CG-CG 3.96Å; H26-F305 AromaticContact CG-CZ 3.69Å; H26-F305 AromaticContact ND1-CD1 3.6Å; H26-F305 AromaticContact ND1-CE1 3.9Å; H26-F305 AromaticContact ND1-CG 3.89Å; H26-F305 AromaticContact NE2-CD1 3.93Å; H26-F305 AromaticContact NE2-CD2 3.43Å; H26-F305 WeakPolarHBondContact NE2-CD2 3.44Å; H26-F305 AromaticContact NE2-CE2 3.96Å; H26-F305 AromaticContact NE2-CG 3.41Å; H26-F305 WeakPolarHBondContact NE2-CG 3.43Å
27	N	96.6	Very high	74.6	Confident	60 Å²	60	66.6 Å²	66.6	32%	0.321	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.6	-177.5	-67.7	-14.1	0	0	0	111.2	S25 Q35 I36 P37	S25-N27 PolarHBondContact O-N 3.19Å; S25-N27 WeakPolarHBondContact OG-CB 3.35Å; S25-N27 PolarHBondContact OG-ND2 3.27Å; N27-Q35 HydrophobicContact CB-CB 4.05Å; N27-Q35 VanDerWaalsContact CB-OE1 3.27Å; N27-I36 WeakPolarHBondContact CA-O 3.42Å; N27-P37 VanDerWaalsContact OD1-CA 3.25Å; N27-P37 WeakPolarHBondContact OD1-CA 3.41Å; N27-P37 WeakPolarHBondContact OD1-CB 3.43Å; N27-P37 WeakPolarHBondContact OD1-CG 3.44Å
28	I	97.5	Very high	77.3	Confident	31 Å²	31	60.7 Å²	60.7	16%	0.159	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.7	169.3	57.1	165.7	0	0	0	110.8	Q35 I36 L38 V233 V287	I28-Q35 VanDerWaalsContact O-CA 3.3Å; I28-Q35 WeakPolarHBondContact O-CA 3.36Å; I28-I36 HydrophobicContact CD1-CG2 4.22Å; I28-I36 HydrophobicContact CG1-CG2 3.64Å; I28-I36 PolarHBondContact N-O 2.67Å; I28-I36 PolarHBondContact O-N 3.29Å; I28-L38 HydrophobicContact CD1-CD2 3.84Å; I28-L38 HydrophobicContact CG1-CD2 4.1Å; I28-L38 HydrophobicContact CG1-CG 4.29Å; I28-L38 HydrophobicContact CG2-CD1 3.76Å; I28-L38 HydrophobicContact CG2-CD2 3.8Å; I28-L38 HydrophobicContact CG2-CG 3.73Å; I28-V233 HydrophobicContact CD1-CG1 3.72Å; I28-V233 HydrophobicContact CD1-CG2 4.06Å; I28-V287 HydrophobicContact CD1-CG2 3.8Å; I28-V287 HydrophobicContact CG1-CG2 4.33Å
29	P	98.3	Very high	79.6	Confident	77 Å²	77	56.6 Å²	56.6	50%	0.5	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141	-179.3	29.1	-35.4	0	0	0	111.9
30	L	98.8	Very high	82.8	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.037	36%	0.364	C	S	.	.			trans	-94.1	155.4	163.9	-66	171.1	0	0	0	109.3	D32 G33 N34 I36 F101 V208 V233	L30-D32 WeakPolarHBondContact CB-OD1 3.45Å; L30-D32 PolarHBondContact O-N 2.82Å; L30-D32 VanDerWaalsContact O-N 3.15Å; L30-G33 PolarHBondContact O-N 2.98Å; L30-G33 VanDerWaalsContact O-N 3.1Å; L30-N34 HydrophobicContact CB-CB 4.47Å; L30-N34 HydrophobicContact CD1-CB 4.1Å; L30-N34 PolarHBondContact N-O 3.35Å; L30-I36 HydrophobicContact CD1-CB 4.12Å; L30-I36 HydrophobicContact CD1-CG2 4.44Å; L30-I36 HydrophobicContact CD2-CB 4.27Å; L30-I36 HydrophobicContact CD2-CG2 3.72Å; L30-I36 HydrophobicContact CG-CB 4.21Å; L30-I36 HydrophobicContact CG-CG2 3.99Å; L30-F101 HydrophobicContact CD1-CE2 4.19Å; L30-F101 HydrophobicContact CD1-CZ 4.39Å; L30-V208 HydrophobicContact CB-CB 4.13Å; L30-V208 HydrophobicContact CB-CG2 4.24Å; L30-V208 HydrophobicContact CD1-CG2 4.01Å; L30-V208 HydrophobicContact CD2-CB 4.13Å; L30-V208 HydrophobicContact CD2-CG2 3.85Å; L30-V208 HydrophobicContact CG-CG2 4.25Å; L30-V233 HydrophobicContact CD2-CB 4.08Å; L30-V233 HydrophobicContact CD2-CG2 3.91Å
31	S	98.6	Very high	85.8	Confident	52 Å²	52	48.3 Å²	48.3	36%	0.364	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-8.3	-174.9	47.4	0	0	0	0	114.8	K206 D231	S31-K206 WeakPolarHBondContact OG-CE 3.13Å; S31-D231 VanDerWaalsContact CB-O 3.26Å; S31-D231 WeakPolarHBondContact CB-O 3.44Å; S31-D231 PolarHBondContact OG-O 2.74Å
32	D	98.5	Very high	89.1	Confident	49 Å²	49	45.7 Å²	45.7	26%	0.262	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	8.3	173.2	68.6	-8.6	0	0	0	113.8	L30 N34 K176 S183 V208	L30-D32 WeakPolarHBondContact CB-OD1 3.45Å; L30-D32 PolarHBondContact O-N 2.82Å; L30-D32 VanDerWaalsContact O-N 3.15Å; D32-N34 VanDerWaalsContact C-N 3.35Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 3.44Å; D32-N34 PolarHBondContact OD1-ND2 3.06Å; D32-N34 PolarHBondContact OD2-ND2 2.91Å; D32-N34 VanDerWaalsContact OD2-ND2 3.09Å; D32-K176 IonicContact OD2-NZ 3.36Å; D32-K176 PolarHBondContact OD2-NZ 3.39Å; D32-S183 WeakPolarHBondContact OD2-CA 3.46Å; D32-S183 WeakPolarHBondContact OD2-CB 3.18Å; D32-S183 PolarHBondContact OD2-OG 3.22Å; D32-V208 HydrophobicContact CB-CG1 3.86Å
33	G	98.3	Very high	92.3	Very high	66 Å²	66	42.4 Å²	42.4	68%	0.68	26%	0.261	S	S	*	.	S	Bend	trans	89.5	-9.3	178	0	0	0	0	0	114.8	L30	L30-G33 PolarHBondContact O-N 2.98Å; L30-G33 VanDerWaalsContact O-N 3.1Å
34	N	98.6	Very high	94.9	Very high	57 Å²	57	39.6 Å²	39.6	31%	0.305	23%	0.23	S	C	.	.			trans	-72.6	176.2	169.7	-66.3	-52.1	0	0	0	110.9	L30 D32 K182 S183	L30-N34 HydrophobicContact CB-CB 4.47Å; L30-N34 HydrophobicContact CD1-CB 4.1Å; L30-N34 PolarHBondContact N-O 3.35Å; D32-N34 VanDerWaalsContact C-N 3.35Å; D32-N34 WeakPolarHBondContact OD1-CB 3.19Å; D32-N34 PolarHBondContact OD1-N 3.44Å; D32-N34 PolarHBondContact OD1-ND2 3.06Å; D32-N34 PolarHBondContact OD2-ND2 2.91Å; D32-N34 VanDerWaalsContact OD2-ND2 3.09Å; N34-K182 PolarHBondContact ND2-O 3Å; N34-S183 PolarHBondContact ND2-OG 3.04Å
35	Q	98.4	Very high	96.6	Very high	109 Å²	109	35.6 Å²	35.6	51%	0.509	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.6	173.8	-57.8	-173.8	5.8	0	0	110.8	N27 I28 F101	N27-Q35 HydrophobicContact CB-CB 4.05Å; N27-Q35 VanDerWaalsContact CB-OE1 3.27Å; I28-Q35 VanDerWaalsContact O-CA 3.3Å; I28-Q35 WeakPolarHBondContact O-CA 3.36Å; Q35-F101 WeakPolarHBondContact O-CD2 3.34Å; Q35-F101 WeakPolarHBondContact O-CE2 3.49Å
36	I	98.8	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.4	175.9	-174.7	168.4	0	0	0	110.2	N27 I28 L30 L38 F101 V233 V235 V287	N27-I36 WeakPolarHBondContact CA-O 3.42Å; I28-I36 HydrophobicContact CD1-CG2 4.22Å; I28-I36 HydrophobicContact CG1-CG2 3.64Å; I28-I36 PolarHBondContact N-O 2.67Å; I28-I36 PolarHBondContact O-N 3.29Å; L30-I36 HydrophobicContact CD1-CB 4.12Å; L30-I36 HydrophobicContact CD1-CG2 4.44Å; L30-I36 HydrophobicContact CD2-CB 4.27Å; L30-I36 HydrophobicContact CD2-CG2 3.72Å; L30-I36 HydrophobicContact CG-CB 4.21Å; L30-I36 HydrophobicContact CG-CG2 3.99Å; I36-L38 PolarHBondContact O-N 3.12Å; I36-F101 HydrophobicContact CB-CD2 4.44Å; I36-F101 HydrophobicContact CB-CE2 3.9Å; I36-F101 HydrophobicContact CB-CZ 3.99Å; I36-F101 HydrophobicContact CD1-CE1 3.75Å; I36-F101 HydrophobicContact CD1-CE2 4.44Å; I36-F101 HydrophobicContact CD1-CZ 3.67Å; I36-F101 HydrophobicContact CG1-CD1 4.26Å; I36-F101 HydrophobicContact CG1-CD2 4.37Å; I36-F101 HydrophobicContact CG1-CE1 3.86Å; I36-F101 HydrophobicContact CG1-CE2 3.98Å; I36-F101 HydrophobicContact CG1-CG 4.49Å; I36-F101 HydrophobicContact CG1-CZ 3.69Å; I36-V233 HydrophobicContact CG2-CG1 4.39Å; I36-V235 HydrophobicContact CD1-CG2 4.16Å; I36-V287 HydrophobicContact CD1-CG1 4.22Å; I36-V287 HydrophobicContact CD1-CG2 4.26Å; I36-V287 HydrophobicContact CG1-CG1 4.46Å; I36-V287 HydrophobicContact CG1-CG2 4.41Å; I36-V287 HydrophobicContact CG2-CG2 3.97Å
37	P	98.6	Very high	97.3	Very high	13 Å²	13	33.2 Å²	33.2	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	130.8	171.1	-20.3	31.7	0	0	0	111.3	N27 L39 R68 H69 F101 V287	N27-P37 VanDerWaalsContact OD1-CA 3.25Å; N27-P37 WeakPolarHBondContact OD1-CA 3.41Å; N27-P37 WeakPolarHBondContact OD1-CB 3.43Å; N27-P37 WeakPolarHBondContact OD1-CG 3.44Å; P37-L39 PolarHBondContact O-N 3.2Å; P37-L39 VanDerWaalsContact O-N 3.15Å; P37-R68 HydrophobicContact CG-CB 4.18Å; P37-H69 HydrophobicContact CB-CB 3.74Å; P37-H69 HydrophobicContact CG-CB 3.77Å; P37-H69 PolarHBondContact O-ND1 2.75Å; P37-H69 VanDerWaalsContact O-ND1 3.17Å; P37-F101 HydrophobicContact CG-CB 4.11Å; P37-V287 WeakPolarHBondContact O-CG1 3.32Å
38	L	98.1	Very high	97	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-59.8	-23.8	-178.8	-83.4	163.2	0	0	0	113.9	F18 H26 I28 I36 V282 V287 V288	F18-L38 HydrophobicContact CE1-CD1 4.35Å; F18-L38 HydrophobicContact CZ-CD1 4.37Å; H26-L38 VanDerWaalsContact O-CB 3.29Å; H26-L38 WeakPolarHBondContact O-CB 3.33Å; H26-L38 WeakPolarHBondContact O-CG 3.32Å; H26-L38 PolarHBondContact O-N 2.72Å; I28-L38 HydrophobicContact CD1-CD2 3.84Å; I28-L38 HydrophobicContact CG1-CD2 4.1Å; I28-L38 HydrophobicContact CG1-CG 4.29Å; I28-L38 HydrophobicContact CG2-CD1 3.76Å; I28-L38 HydrophobicContact CG2-CD2 3.8Å; I28-L38 HydrophobicContact CG2-CG 3.73Å; I36-L38 PolarHBondContact O-N 3.12Å; L38-V282 HydrophobicContact CB-CG1 4.15Å; L38-V282 HydrophobicContact CD1-CG1 4.03Å; L38-V282 HydrophobicContact CD2-CG1 4.41Å; L38-V282 HydrophobicContact CG-CG1 4.43Å; L38-V287 HydrophobicContact CD2-CG2 4.4Å; L38-V287 CarbonylContact O-C 3.4Å; L38-V287 WeakPolarHBondContact O-CA 3.39Å; L38-V288 PolarHBondContact O-N 3.04Å
39	L	98.8	Very high	96.8	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-124.4	122.4	177.4	174.3	64.8	0	0	0	109.6	P37 Y67 V288 P290 F302 I304 F305	P37-L39 PolarHBondContact O-N 3.2Å; P37-L39 VanDerWaalsContact O-N 3.15Å; L39-Y67 HydrophobicContact CD1-CE1 3.93Å; L39-Y67 HydrophobicContact CD2-CD1 4.42Å; L39-Y67 HydrophobicContact CD2-CE1 3.75Å; L39-Y67 HydrophobicContact CG-CD1 4.09Å; L39-Y67 HydrophobicContact CG-CE1 3.57Å; L39-V288 WeakPolarHBondContact CA-O 3.23Å; L39-V288 HydrophobicContact CD1-CG2 3.66Å; L39-P290 HydrophobicContact CD1-CG 3.6Å; L39-F302 HydrophobicContact CD2-CB 4.39Å; L39-F302 HydrophobicContact CD2-CD2 3.56Å; L39-F302 HydrophobicContact CD2-CE2 4.2Å; L39-F302 HydrophobicContact CD2-CG 4.29Å; L39-I304 HydrophobicContact CB-CD1 4.5Å; L39-I304 HydrophobicContact CD1-CD1 4.33Å; L39-I304 HydrophobicContact CD2-CD1 4.04Å; L39-I304 HydrophobicContact CD2-CG1 4.31Å; L39-F305 HydrophobicContact CB-CE2 4.16Å; L39-F305 HydrophobicContact CB-CZ 3.84Å; L39-F305 HydrophobicContact CD2-CE2 3.92Å; L39-F305 HydrophobicContact CD2-CZ 4.38Å
40	G	98.7	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.			trans	-120.3	170.3	169.7	0	0	0	0	0	113.2	H69 V288 I289 P290	G40-H69 CarbonylContact C-O 3.6Å; G40-H69 WeakPolarHBondContact CA-O 3.45Å; G40-V288 PolarHBondContact N-O 3.22Å; G40-I289 WeakPolarHBondContact O-CA 3.45Å; G40-P290 VanDerWaalsContact O-CD 3.27Å; G40-P290 WeakPolarHBondContact O-CD 3.32Å
41	L	98.9	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.1	170.7	-177.1	75.4	0	0	0	109.1	V59 A62 Y67 H69 F70 D71 I298	L41-V59 HydrophobicContact CD2-CG2 4.13Å; L41-A62 HydrophobicContact CD2-CB 3.78Å; L41-Y67 HydrophobicContact CB-CD1 4.13Å; L41-Y67 HydrophobicContact CB-CE1 4.4Å; L41-H69 PolarHBondContact N-O 3.16Å; L41-F70 HydrophobicContact CB-CD1 3.93Å; L41-F70 HydrophobicContact CB-CE1 4.03Å; L41-F70 HydrophobicContact CD2-CD1 4.16Å; L41-F70 HydrophobicContact CD2-CE1 4.03Å; L41-D71 PolarHBondContact O-N 2.86Å; L41-I298 HydrophobicContact CD1-CG1 4.39Å
42	G	98.8	Very high	96.4	Very high	5 Å²	5	53.4 Å²	53.4	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.8	167.2	0	0	0	0	0	110.6	P290 K291	G42-P290 PolarHBondContact N-O 3.4Å; G42-P290 VanDerWaalsContact N-O 3.09Å; G42-K291 WeakPolarHBondContact O-CA 3.3Å; G42-K291 VanDerWaalsContact O-CB 3.31Å; G42-K291 WeakPolarHBondContact O-CB 3.31Å; G42-K291 WeakPolarHBondContact O-CG 3.23Å
43	T	98.5	Very high	96.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.278	C	S	.	.			trans	-113.2	1.5	-173.3	66	0	0	0	0	114.9	G45 T55 V59 D71 G72 N78 V82 F293	T43-G45 PolarHBondContact O-N 3.12Å; T43-T55 HydrophobicContact CG2-CG2 4.38Å; T43-V59 HydrophobicContact CG2-CG2 4.26Å; T43-D71 WeakPolarHBondContact CG2-O 3.27Å; T43-D71 PolarHBondContact N-O 3.33Å; T43-D71 PolarHBondContact OG1-O 3.37Å; T43-G72 WeakPolarHBondContact OG1-CA 3.46Å; T43-N78 PolarHBondContact O-ND2 3.24Å; T43-V82 HydrophobicContact CG2-CG2 3.85Å; T43-F293 WeakPolarHBondContact O-CZ 3.32Å
44	Y	97.3	Very high	96.3	Very high	74 Å²	74	50.9 Å²	50.9	29%	0.29	26%	0.255	S	S	.	.			trans	-56.2	128.8	175.5	173	-104.1	0	0	0	112.4	Y76 W248 K291	Y44-Y76 AromaticContact CD2-CD1 3.71Å; Y44-Y76 HydrophobicContact CD2-CD1 3.71Å; Y44-Y76 HydrophobicContact CD2-CE1 4.05Å; Y44-Y76 HydrophobicContact CD2-CG 4.11Å; Y44-Y76 HydrophobicContact CG-CD1 4.49Å; Y44-W248 AromaticContact CE1-CZ2 3.92Å; Y44-W248 HydrophobicContact CE1-CZ2 3.92Å; Y44-K291 VanDerWaalsContact O-CD 3.23Å; Y44-K291 WeakPolarHBondContact O-CD 3.25Å; Y44-K291 WeakPolarHBondContact O-CE 3.47Å; Y44-K291 WeakPolarHBondContact O-CG 3.27Å; Y44-K291 PolarHBondContact O-NZ 2.87Å
45	G	91.3	Very high	96.3	Very high	5 Å²	5	48.2 Å²	48.2	5%	0.052	24%	0.241	C	C	.	.			trans	-143.3	144	167.3	0	0	0	0	0	109.5	T43 P47	T43-G45 PolarHBondContact O-N 3.12Å; G45-P47 VanDerWaalsContact O-CD 3.23Å; G45-P47 WeakPolarHBondContact O-CD 3.35Å
46	D	91.8	Very high	96.3	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.064	22%	0.218	C	C	.	.			trans	-59.3	114.8	175.7	-178.1	-20.1	0	0	0	108.1	R48 K49 T50	D46-R48 PolarHBondContact O-N 3.25Å; D46-R48 VanDerWaalsContact O-N 3.1Å; D46-R48 VanDerWaalsContact OD1-CB 3.26Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 IonicContact OD1-CZ 3.62Å; D46-R48 PolarHBondContact OD1-N 3.16Å; D46-R48 IonicContact OD1-NE 2.91Å; D46-R48 PolarHBondContact OD1-NE 2.86Å; D46-R48 IonicContact OD1-NH2 2.95Å; D46-R48 IonicContact OD2-CZ 2.84Å; D46-R48 IonicContact OD2-NE 3.41Å; D46-R48 PolarHBondContact OD2-NE 3.33Å; D46-R48 IonicContact OD2-NH2 3.43Å; D46-R48 PolarHBondContact OD2-NH2 3.41Å; D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 HydrophobicContact CB-CD 4.17Å; D46-K49 HydrophobicContact CB-CG 4.26Å; D46-K49 PolarHBondContact O-N 3.4Å; D46-K49 WeakPolarHBondContact OD2-CD 3.48Å; D46-K49 WeakPolarHBondContact OD2-CE 3.27Å; D46-K49 IonicContact OD2-NZ 3.73Å; D46-K49 PolarHBondContact OD2-NZ 3.29Å; D46-T50 PolarHBondContact N-OG1 3.05Å; D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.32Å; D46-T50 PolarHBondContact O-N 2.81Å; D46-T50 PolarHBondContact O-OG1 3.15Å
47	P	89.6	Confident	96.3	Very high	73 Å²	73	49 Å²	49	47%	0.474	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.5	-174.2	26.5	-35	0	0	0	112.4	G45 F77	G45-P47 VanDerWaalsContact O-CD 3.23Å; G45-P47 WeakPolarHBondContact O-CD 3.35Å; P47-F77 HydrophobicContact CB-CB 4.48Å; P47-F77 HydrophobicContact CB-CD2 4.44Å; P47-F77 HydrophobicContact CG-CD2 4.12Å
48	R	91	Very high	96.3	Very high	188 Å²	188	48.7 Å²	48.7	71%	0.709	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-22.6	176.6	-55.2	167.6	-64.4	-175.3	2.7	112.6	D46	D46-R48 PolarHBondContact O-N 3.25Å; D46-R48 VanDerWaalsContact O-N 3.1Å; D46-R48 VanDerWaalsContact OD1-CB 3.26Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 IonicContact OD1-CZ 3.62Å; D46-R48 PolarHBondContact OD1-N 3.16Å; D46-R48 IonicContact OD1-NE 2.91Å; D46-R48 PolarHBondContact OD1-NE 2.86Å; D46-R48 IonicContact OD1-NH2 2.95Å; D46-R48 IonicContact OD2-CZ 2.84Å; D46-R48 IonicContact OD2-NE 3.41Å; D46-R48 PolarHBondContact OD2-NE 3.33Å; D46-R48 IonicContact OD2-NH2 3.43Å; D46-R48 PolarHBondContact OD2-NH2 3.41Å
49	K	92.8	Very high	96.3	Very high	137 Å²	137	48.6 Å²	48.6	60%	0.596	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-22.3	-173.1	-58.7	175.8	-171.4	161.5	0	112.9	D46 P51 D245	D46-K49 HydrophobicContact CB-CB 4.18Å; D46-K49 HydrophobicContact CB-CD 4.17Å; D46-K49 HydrophobicContact CB-CG 4.26Å; D46-K49 PolarHBondContact O-N 3.4Å; D46-K49 WeakPolarHBondContact OD2-CD 3.48Å; D46-K49 WeakPolarHBondContact OD2-CE 3.27Å; D46-K49 IonicContact OD2-NZ 3.73Å; D46-K49 PolarHBondContact OD2-NZ 3.29Å; K49-P51 WeakPolarHBondContact O-CD 3.42Å; K49-D245 IonicContact NZ-OD2 3.46Å; K49-D245 PolarHBondContact NZ-OD2 3.33Å
50	T	94.9	Very high	96.3	Very high	37 Å²	37	50.8 Å²	50.8	23%	0.227	25%	0.251	C	S	.	.	S	Bend	trans	-85.3	120.9	-176.2	-54.3	0	0	0	0	109.6	D46 T54 F293	D46-T50 PolarHBondContact N-OG1 3.05Å; D46-T50 VanDerWaalsContact O-CB 3.31Å; D46-T50 WeakPolarHBondContact O-CB 3.32Å; D46-T50 PolarHBondContact O-N 2.81Å; D46-T50 PolarHBondContact O-OG1 3.15Å; T50-T54 HydrophobicContact CG2-CG2 4.31Å; T50-F293 HydrophobicContact CG2-CD2 3.83Å; T50-F293 HydrophobicContact CG2-CE2 3.57Å
51	P	96.6	Very high	96.3	Very high	88 Å²	88	52.4 Å²	52.4	57%	0.571	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-61.6	141.3	174.9	-21.7	33.3	0	0	0	111.7	K49 T54	K49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-T54 VanDerWaalsContact O-CB 3.23Å; P51-T54 WeakPolarHBondContact O-CB 3.38Å; P51-T54 PolarHBondContact O-N 3.16Å; P51-T54 PolarHBondContact O-OG1 3.28Å
52	K	95.7	Very high	96.3	Very high	201 Å²	201	52.4 Å²	52.4	87%	0.874	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	143.2	174	-65.2	-173.2	177.5	-174.1	0	111.1	T54	K52-T54 PolarHBondContact O-N 3.16Å
53	G	97.2	Very high	96.3	Very high	29 Å²	29	52.2 Å²	52.2	30%	0.299	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-10.6	-177.5	0	0	0	0	0	114.2	T55 V56 E57 E81	G53-T55 VanDerWaalsContact C-N 3.25Å; G53-T55 PolarHBondContact O-N 3.32Å; G53-V56 WeakPolarHBondContact O-CB 3.41Å; G53-V56 PolarHBondContact O-N 3.03Å; G53-E57 PolarHBondContact O-N 2.88Å; G53-E81 WeakPolarHBondContact CA-OE2 3.07Å; G53-E81 VanDerWaalsContact N-CD 3.33Å; G53-E81 PolarHBondContact N-OE1 3Å; G53-E81 PolarHBondContact N-OE2 3.45Å
54	T	97.9	Very high	96.3	Very high	32 Å²	32	56.7 Å²	56.7	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-38.8	177.5	-57.6	0	0	0	0	111.4	T50 P51 K52 C58 F293	T50-T54 HydrophobicContact CG2-CG2 4.31Å; P51-T54 VanDerWaalsContact O-CB 3.23Å; P51-T54 WeakPolarHBondContact O-CB 3.38Å; P51-T54 PolarHBondContact O-N 3.16Å; P51-T54 PolarHBondContact O-OG1 3.28Å; K52-T54 PolarHBondContact O-N 3.16Å; T54-C58 WeakPolarHBondContact O-CB 3.25Å; T54-C58 PolarHBondContact O-N 3.36Å; T54-C58 VanDerWaalsContact O-N 3.12Å; T54-C58 PolarHBondContact O-SG 3.14Å; T54-F293 HydrophobicContact CG2-CB 3.61Å; T54-F293 HydrophobicContact CG2-CD1 4.24Å; T54-F293 HydrophobicContact CG2-CD2 3.57Å; T54-F293 HydrophobicContact CG2-CE2 4.28Å; T54-F293 HydrophobicContact CG2-CG 3.57Å
55	T	98.4	Very high	96.3	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-40	-179.8	-42.5	0	0	0	0	110.1	T43 G53 C58 V59 N78 E81 V82 F293	T43-T55 HydrophobicContact CG2-CG2 4.38Å; G53-T55 VanDerWaalsContact C-N 3.25Å; G53-T55 PolarHBondContact O-N 3.32Å; T55-C58 PolarHBondContact O-N 2.91Å; T55-V59 HydrophobicContact CG2-CG2 4.06Å; T55-V59 WeakPolarHBondContact O-CB 3.45Å; T55-V59 VanDerWaalsContact O-CG2 3.25Å; T55-V59 WeakPolarHBondContact O-CG2 3.41Å; T55-V59 PolarHBondContact O-N 2.86Å; T55-N78 HydrophobicContact CG2-CB 4.44Å; T55-N78 PolarHBondContact OG1-ND2 2.91Å; T55-N78 VanDerWaalsContact OG1-ND2 3.09Å; T55-E81 WeakPolarHBondContact CA-OE2 3.44Å; T55-E81 WeakPolarHBondContact CB-OE2 3.32Å; T55-E81 HydrophobicContact CG2-CB 4.27Å; T55-E81 PolarHBondContact N-OE2 3.22Å; T55-E81 PolarHBondContact OG1-OE2 3.47Å; T55-E81 VanDerWaalsContact OG1-OE2 3.05Å; T55-V82 HydrophobicContact CG2-CG2 3.66Å; T55-F293 HydrophobicContact CG2-CE1 4.33Å; T55-F293 HydrophobicContact CG2-CZ 4.25Å
56	V	98.7	Very high	96.7	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-55.1	-56.5	177.1	-177.2	0	0	0	0	110.4	G53 C58 V59 K60 E81 Q84 A85	G53-V56 WeakPolarHBondContact O-CB 3.41Å; G53-V56 PolarHBondContact O-N 3.03Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.45Å; V56-V59 PolarHBondContact O-N 3.48Å; V56-K60 HydrophobicContact CG1-CD 3.92Å; V56-K60 WeakPolarHBondContact O-CG 3.45Å; V56-K60 PolarHBondContact O-N 2.86Å; V56-E81 HydrophobicContact CG2-CB 3.54Å; V56-E81 HydrophobicContact CG2-CG 3.8Å; V56-E81 PolarHBondContact N-OE2 3.48Å; V56-Q84 HydrophobicContact CG1-CG 4.29Å; V56-Q84 HydrophobicContact CG2-CB 4.46Å; V56-Q84 HydrophobicContact CG2-CG 4.5Å; V56-A85 HydrophobicContact CG1-CB 4.2Å; V56-A85 WeakPolarHBondContact O-CB 3.34Å
57	E	98.6	Very high	97	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-62.5	-40.1	-176.5	-65.1	-54.6	124.2	0	0	112.1	G53 L61	G53-E57 PolarHBondContact O-N 2.88Å; E57-L61 WeakPolarHBondContact O-CB 3.3Å; E57-L61 PolarHBondContact O-N 3.1Å
58	C	98.6	Very high	97.4	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-71.6	-37.4	-179.1	-67.3	0	0	0	0	112.9	T54 T55 V56 A62 F293 I298	T54-C58 WeakPolarHBondContact O-CB 3.25Å; T54-C58 PolarHBondContact O-N 3.36Å; T54-C58 VanDerWaalsContact O-N 3.12Å; T54-C58 PolarHBondContact O-SG 3.14Å; T55-C58 PolarHBondContact O-N 2.91Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.45Å; C58-A62 VanDerWaalsContact O-CB 3.28Å; C58-A62 WeakPolarHBondContact O-CB 3.43Å; C58-A62 PolarHBondContact O-N 3.29Å; C58-F293 HydrophobicContact CB-CD1 3.69Å; C58-F293 HydrophobicContact CB-CE1 4.2Å; C58-F293 WeakPolarHBondContact SG-CA 3.33Å; C58-I298 HydrophobicContact CB-CD1 3.69Å
59	V	98.8	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-44.5	175.6	170.5	0	0	0	0	110.2	L41 T43 T55 V56 L61 A62 I63 F70 V82 A85 I86	L41-V59 HydrophobicContact CD2-CG2 4.13Å; T43-V59 HydrophobicContact CG2-CG2 4.26Å; T55-V59 HydrophobicContact CG2-CG2 4.06Å; T55-V59 WeakPolarHBondContact O-CB 3.45Å; T55-V59 VanDerWaalsContact O-CG2 3.25Å; T55-V59 WeakPolarHBondContact O-CG2 3.41Å; T55-V59 PolarHBondContact O-N 2.86Å; V56-V59 PolarHBondContact O-N 3.48Å; V59-L61 PolarHBondContact O-N 3.06Å; V59-A62 PolarHBondContact O-N 3.33Å; V59-I63 HydrophobicContact CG1-CD1 4.2Å; V59-I63 WeakPolarHBondContact O-CG1 3.29Å; V59-I63 PolarHBondContact O-N 3.15Å; V59-F70 HydrophobicContact CB-CD1 4.48Å; V59-F70 HydrophobicContact CB-CE1 4.3Å; V59-F70 HydrophobicContact CG1-CD1 3.86Å; V59-F70 HydrophobicContact CG1-CE1 3.7Å; V59-F70 HydrophobicContact CG1-CG 4.5Å; V59-F70 HydrophobicContact CG1-CZ 4.24Å; V59-F70 HydrophobicContact CG2-CD1 4.15Å; V59-F70 HydrophobicContact CG2-CE1 4.38Å; V59-V82 HydrophobicContact CG1-CG1 4.49Å; V59-V82 HydrophobicContact CG2-CG1 4.36Å; V59-V82 HydrophobicContact CG2-CG2 4.32Å; V59-A85 HydrophobicContact CB-CB 3.56Å; V59-A85 HydrophobicContact CG1-CB 3.42Å; V59-A85 VanDerWaalsContact CG1-CB 3.42Å; V59-I86 HydrophobicContact CG1-CG1 4.1Å
60	K	98.9	Very high	98.1	Very high	52 Å²	52	40.1 Å²	40.1	23%	0.226	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-49.9	175.2	-71.2	174.2	69.9	170.7	0	111.4	V56 A62 I63 D64 A85 E88 K89	V56-K60 HydrophobicContact CG1-CD 3.92Å; V56-K60 WeakPolarHBondContact O-CG 3.45Å; V56-K60 PolarHBondContact O-N 2.86Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.22Å; K60-I63 WeakPolarHBondContact O-CB 3.42Å; K60-I63 PolarHBondContact O-N 2.84Å; K60-I63 VanDerWaalsContact O-N 3.16Å; K60-D64 PolarHBondContact O-N 2.89Å; K60-A85 HydrophobicContact CG-CB 3.72Å; K60-E88 WeakPolarHBondContact CD-OE2 3.38Å; K60-E88 WeakPolarHBondContact CE-OE2 3.26Å; K60-E88 IonicContact NZ-OE2 3.35Å; K60-E88 PolarHBondContact NZ-OE2 2.98Å; K60-K89 HydrophobicContact CB-CD 4.24Å; K60-K89 HydrophobicContact CB-CG 4.42Å; K60-K89 HydrophobicContact CG-CD 4.19Å; K60-K89 HydrophobicContact CG-CG 4.12Å
61	L	98.8	Very high	98.3	Very high	34 Å²	34	38.6 Å²	38.6	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-41.6	177.1	176.1	63.2	0	0	0	112.1	E57 V59 I63 D64 V65 P295 I298	E57-L61 WeakPolarHBondContact O-CB 3.3Å; E57-L61 PolarHBondContact O-N 3.1Å; V59-L61 PolarHBondContact O-N 3.06Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.94Å; L61-D64 WeakPolarHBondContact O-CB 3.48Å; L61-D64 PolarHBondContact O-N 3.17Å; L61-V65 HydrophobicContact CD1-CG2 4.11Å; L61-V65 HydrophobicContact CG-CG2 4.32Å; L61-V65 WeakPolarHBondContact O-CB 3.12Å; L61-V65 VanDerWaalsContact O-CG2 3.24Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.46Å; L61-P295 VanDerWaalsContact CD2-CA 3.4Å; L61-P295 HydrophobicContact CD2-CB 3.49Å; L61-P295 VanDerWaalsContact CD2-CB 3.49Å; L61-P295 HydrophobicContact CD2-CG 4.15Å; L61-I298 HydrophobicContact CD2-CB 4.48Å; L61-I298 HydrophobicContact CD2-CD1 4.17Å; L61-I298 HydrophobicContact CG-CG2 4.42Å
62	A	98.8	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.6	-40.2	177.5	0	0	0	0	0	111.5	L41 C58 V59 K60 D64 V65 G66 Y67 F70 I298	L41-A62 HydrophobicContact CD2-CB 3.78Å; C58-A62 VanDerWaalsContact O-CB 3.28Å; C58-A62 WeakPolarHBondContact O-CB 3.43Å; C58-A62 PolarHBondContact O-N 3.29Å; V59-A62 PolarHBondContact O-N 3.33Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.22Å; A62-D64 VanDerWaalsContact C-N 3.35Å; A62-D64 PolarHBondContact O-N 3.15Å; A62-V65 PolarHBondContact O-N 2.83Å; A62-G66 PolarHBondContact O-N 3.07Å; A62-Y67 HydrophobicContact CB-CD2 3.73Å; A62-Y67 HydrophobicContact CB-CE2 4.39Å; A62-Y67 HydrophobicContact CB-CG 3.94Å; A62-Y67 WeakPolarHBondContact O-CB 3.46Å; A62-Y67 WeakPolarHBondContact O-CD2 3.45Å; A62-Y67 PolarHBondContact O-N 2.61Å; A62-F70 HydrophobicContact CB-CE1 3.89Å; A62-F70 HydrophobicContact CB-CZ 4.27Å; A62-I298 HydrophobicContact CB-CG2 3.92Å
63	I	98.8	Very high	98.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-46.2	172.9	-66.3	171.6	0	0	0	110.7	V59 K60 L61 V65 G66 R68 F70 I86 K89 T94 V95 I100	V59-I63 HydrophobicContact CG1-CD1 4.2Å; V59-I63 WeakPolarHBondContact O-CG1 3.29Å; V59-I63 PolarHBondContact O-N 3.15Å; K60-I63 WeakPolarHBondContact O-CB 3.42Å; K60-I63 PolarHBondContact O-N 2.84Å; K60-I63 VanDerWaalsContact O-N 3.16Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.94Å; I63-V65 VanDerWaalsContact C-N 3.29Å; I63-V65 PolarHBondContact O-N 3.46Å; I63-G66 PolarHBondContact O-N 3.07Å; I63-G66 VanDerWaalsContact O-N 3.15Å; I63-R68 PolarHBondContact O-NH1 3.14Å; I63-F70 HydrophobicContact CD1-CE2 4.2Å; I63-F70 HydrophobicContact CD1-CZ 4.11Å; I63-F70 HydrophobicContact CG1-CE1 4.34Å; I63-F70 HydrophobicContact CG1-CE2 3.72Å; I63-F70 HydrophobicContact CG1-CZ 3.35Å; I63-I86 HydrophobicContact CD1-CG1 4.17Å; I63-K89 HydrophobicContact CB-CG 4.14Å; I63-K89 HydrophobicContact CD1-CB 3.78Å; I63-K89 HydrophobicContact CD1-CG 3.66Å; I63-K89 HydrophobicContact CG1-CG 4.46Å; I63-K89 HydrophobicContact CG2-CB 4.02Å; I63-K89 HydrophobicContact CG2-CG 4.05Å; I63-T94 HydrophobicContact CG2-CG2 4.07Å; I63-V95 HydrophobicContact CG2-CG1 3.67Å; I63-V95 HydrophobicContact CG2-CG2 4.03Å; I63-I100 HydrophobicContact CD1-CD1 4.25Å; I63-I100 HydrophobicContact CG1-CD1 4.25Å
64	D	98.5	Very high	98.5	Very high	94 Å²	94	24 Å²	24	50%	0.503	12%	0.124	S	C	.	.	H	α-helix	trans	-61.7	-36.1	178	-67.3	-29.3	0	0	0	112.6	K60 L61 A62 G66 K89	K60-D64 PolarHBondContact O-N 2.89Å; L61-D64 WeakPolarHBondContact O-CB 3.48Å; L61-D64 PolarHBondContact O-N 3.17Å; A62-D64 VanDerWaalsContact C-N 3.35Å; A62-D64 PolarHBondContact O-N 3.15Å; D64-G66 VanDerWaalsContact C-N 3.34Å; D64-K89 WeakPolarHBondContact OD1-CE 3.29Å; D64-K89 IonicContact OD1-NZ 2.75Å; D64-K89 PolarHBondContact OD1-NZ 3.41Å
65	V	97.8	Very high	98.4	Very high	39 Å²	39	22.8 Å²	22.8	24%	0.236	12%	0.117	C	C	.	.	H	α-helix	trans	-70.9	-30.2	177.2	167.7	0	0	0	0	112.1	L61 A62 I63 Y67 K299 F302	L61-V65 HydrophobicContact CD1-CG2 4.11Å; L61-V65 HydrophobicContact CG-CG2 4.32Å; L61-V65 WeakPolarHBondContact O-CB 3.12Å; L61-V65 VanDerWaalsContact O-CG2 3.24Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.46Å; A62-V65 PolarHBondContact O-N 2.83Å; I63-V65 VanDerWaalsContact C-N 3.29Å; I63-V65 PolarHBondContact O-N 3.46Å; V65-Y67 HydrophobicContact CB-CD2 4.39Å; V65-Y67 HydrophobicContact CG1-CD2 4.2Å; V65-Y67 HydrophobicContact CG1-CE2 4.08Å; V65-K299 HydrophobicContact CG2-CG 3.58Å; V65-F302 HydrophobicContact CG1-CB 3.61Å; V65-F302 HydrophobicContact CG1-CD1 3.82Å; V65-F302 HydrophobicContact CG1-CD2 4.33Å; V65-F302 HydrophobicContact CG1-CG 3.66Å
66	G	97.8	Very high	98.4	Very high	23 Å²	23	24.4 Å²	24.4	24%	0.237	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.5	1.8	179.2	0	0	0	0	0	115.1	A62 I63 D64 R68 F302	A62-G66 PolarHBondContact O-N 3.07Å; I63-G66 PolarHBondContact O-N 3.07Å; I63-G66 VanDerWaalsContact O-N 3.15Å; D64-G66 VanDerWaalsContact C-N 3.34Å; G66-R68 PolarHBondContact O-N 2.89Å; G66-F302 VanDerWaalsContact C-CE2 3.41Å; G66-F302 VanDerWaalsContact C-CZ 3.46Å; G66-F302 WeakPolarHBondContact O-CE2 3.38Å; G66-F302 WeakPolarHBondContact O-CZ 3.39Å
67	Y	98.6	Very high	98.4	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.144	C	C	.	.			trans	-62.5	137.8	172.9	-71.8	-104.6	0	0	0	110.1	L39 L41 A62 V65 I298 N301 F302	L39-Y67 HydrophobicContact CD1-CE1 3.93Å; L39-Y67 HydrophobicContact CD2-CD1 4.42Å; L39-Y67 HydrophobicContact CD2-CE1 3.75Å; L39-Y67 HydrophobicContact CG-CD1 4.09Å; L39-Y67 HydrophobicContact CG-CE1 3.57Å; L41-Y67 HydrophobicContact CB-CD1 4.13Å; L41-Y67 HydrophobicContact CB-CE1 4.4Å; A62-Y67 HydrophobicContact CB-CD2 3.73Å; A62-Y67 HydrophobicContact CB-CE2 4.39Å; A62-Y67 HydrophobicContact CB-CG 3.94Å; A62-Y67 WeakPolarHBondContact O-CB 3.46Å; A62-Y67 WeakPolarHBondContact O-CD2 3.45Å; A62-Y67 PolarHBondContact O-N 2.61Å; V65-Y67 HydrophobicContact CB-CD2 4.39Å; V65-Y67 HydrophobicContact CG1-CD2 4.2Å; V65-Y67 HydrophobicContact CG1-CE2 4.08Å; Y67-I298 HydrophobicContact CE2-CG2 3.97Å; Y67-I298 WeakPolarHBondContact CE2-O 3.41Å; Y67-I298 PolarHBondContact OH-O 3.21Å; Y67-I298 VanDerWaalsContact OH-O 3.06Å; Y67-N301 VanDerWaalsContact OH-CB 3.31Å; Y67-N301 WeakPolarHBondContact OH-CB 3.35Å; Y67-F302 HydrophobicContact CD1-CD2 4.34Å; Y67-F302 HydrophobicContact CD2-CB 4.47Å; Y67-F302 AromaticContact CD2-CD2 3.56Å; Y67-F302 HydrophobicContact CD2-CD2 3.56Å; Y67-F302 HydrophobicContact CD2-CE2 4.16Å; Y67-F302 HydrophobicContact CD2-CG 4.27Å; Y67-F302 HydrophobicContact CE1-CD2 4.28Å; Y67-F302 HydrophobicContact CE2-CB 3.67Å; Y67-F302 AromaticContact CE2-CD2 3.49Å; Y67-F302 HydrophobicContact CE2-CD2 3.49Å; Y67-F302 VanDerWaalsContact CE2-CD2 3.49Å; Y67-F302 AromaticContact CE2-CG 3.93Å; Y67-F302 HydrophobicContact CE2-CG 3.93Å; Y67-F302 HydrophobicContact CG-CD2 4Å; Y67-F302 HydrophobicContact CG-CE2 4.31Å; Y67-F302 AromaticContact CZ-CD2 3.86Å; Y67-F302 PolarHBondContact OH-N 2.85Å
68	R	98.7	Very high	98.3	Very high	77 Å²	77	24.1 Å²	24.1	29%	0.291	12%	0.12	S	C	.	.			trans	-126	3.1	175.9	-65.7	-59.1	177.1	-95.9	4.8	112.7	P37 I63 G66 V95 D99 I100 F101	P37-R68 HydrophobicContact CG-CB 4.18Å; I63-R68 PolarHBondContact O-NH1 3.14Å; G66-R68 PolarHBondContact O-N 2.89Å; R68-V95 VanDerWaalsContact CZ-CG1 3.49Å; R68-D99 WeakPolarHBondContact CB-O 3.11Å; R68-D99 VanDerWaalsContact CD-O 3.27Å; R68-D99 WeakPolarHBondContact CD-O 3.49Å; R68-I100 CarbonylContact O-C 3.6Å; R68-F101 WeakPolarHBondContact O-CB 3.4Å; R68-F101 PolarHBondContact O-N 2.83Å
69	H	98.9	Very high	98.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.4	177.4	172.3	-168.8	0	0	0	110	P37 G40 L41 F101	P37-H69 HydrophobicContact CB-CB 3.74Å; P37-H69 HydrophobicContact CG-CB 3.77Å; P37-H69 PolarHBondContact O-ND1 2.75Å; P37-H69 VanDerWaalsContact O-ND1 3.17Å; G40-H69 CarbonylContact C-O 3.6Å; G40-H69 WeakPolarHBondContact CA-O 3.45Å; L41-H69 PolarHBondContact N-O 3.16Å; H69-F101 CarbonylContact C-O 3.01Å; H69-F101 VanDerWaalsContact CA-O 3.23Å; H69-F101 WeakPolarHBondContact CA-O 3.45Å; H69-F101 HydrophobicContact CB-CB 4.25Å; H69-F101 AromaticContact CD2-CD1 3.5Å; H69-F101 AromaticContact NE2-CD1 3.87Å
70	F	98.9	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	177.2	-61.6	-83.1	0	0	0	110	L41 V59 A62 I63 V82 I86 I100 F101 Y102 C103	L41-F70 HydrophobicContact CB-CD1 3.93Å; L41-F70 HydrophobicContact CB-CE1 4.03Å; L41-F70 HydrophobicContact CD2-CD1 4.16Å; L41-F70 HydrophobicContact CD2-CE1 4.03Å; V59-F70 HydrophobicContact CB-CD1 4.48Å; V59-F70 HydrophobicContact CB-CE1 4.3Å; V59-F70 HydrophobicContact CG1-CD1 3.86Å; V59-F70 HydrophobicContact CG1-CE1 3.7Å; V59-F70 HydrophobicContact CG1-CG 4.5Å; V59-F70 HydrophobicContact CG1-CZ 4.24Å; V59-F70 HydrophobicContact CG2-CD1 4.15Å; V59-F70 HydrophobicContact CG2-CE1 4.38Å; A62-F70 HydrophobicContact CB-CE1 3.89Å; A62-F70 HydrophobicContact CB-CZ 4.27Å; I63-F70 HydrophobicContact CD1-CE2 4.2Å; I63-F70 HydrophobicContact CD1-CZ 4.11Å; I63-F70 HydrophobicContact CG1-CE1 4.34Å; I63-F70 HydrophobicContact CG1-CE2 3.72Å; I63-F70 HydrophobicContact CG1-CZ 3.35Å; F70-V82 HydrophobicContact CB-CG1 4.45Å; F70-I86 HydrophobicContact CD2-CD1 4.24Å; F70-I86 HydrophobicContact CG-CD1 4.44Å; F70-I100 HydrophobicContact CD2-CD1 4.45Å; F70-I100 HydrophobicContact CD2-CG2 4.07Å; F70-I100 HydrophobicContact CE2-CD1 3.84Å; F70-I100 HydrophobicContact CE2-CG2 4.47Å; F70-F101 PolarHBondContact N-O 3.23Å; F70-Y102 HydrophobicContact CB-CD2 4.11Å; F70-Y102 WeakPolarHBondContact O-CA 3.48Å; F70-C103 PolarHBondContact O-N 2.94Å
71	D	98.9	Very high	98.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.9	178	175.9	-92.7	0	0	0	109.7	L41 T43 C103 K105 Q211 I289	L41-D71 PolarHBondContact O-N 2.86Å; T43-D71 WeakPolarHBondContact CG2-O 3.27Å; T43-D71 PolarHBondContact N-O 3.33Å; T43-D71 PolarHBondContact OG1-O 3.37Å; D71-C103 PolarHBondContact OD2-SG 2.75Å; D71-C103 VanDerWaalsContact OD2-SG 3.38Å; D71-K105 IonicContact OD1-NZ 2.83Å; D71-K105 PolarHBondContact OD1-NZ 3.46Å; D71-K105 WeakPolarHBondContact OD2-CE 3.39Å; D71-K105 IonicContact OD2-NZ 2.94Å; D71-K105 PolarHBondContact OD2-NZ 2.87Å; D71-Q211 PolarHBondContact OD2-NE2 3.39Å; D71-I289 HydrophobicContact CB-CB 4.22Å; D71-I289 HydrophobicContact CB-CD1 3.9Å; D71-I289 HydrophobicContact CB-CG2 3.97Å
72	G	98.6	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.			trans	-131.9	179.6	178.9	0	0	0	0	0	111.9	T43 C103 K105	T43-G72 WeakPolarHBondContact OG1-CA 3.46Å; G72-C103 PolarHBondContact N-O 2.8Å; G72-K105 WeakPolarHBondContact O-CG 3.5Å; G72-K105 PolarHBondContact O-NZ 3.29Å
73	A	98.4	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.			trans	-161	153	174.3	0	0	0	0	0	110.4	V75 Y76 E79 K105	A73-V75 HydrophobicContact CB-CG2 4.35Å; A73-V75 PolarHBondContact O-N 3.17Å; A73-Y76 HydrophobicContact CB-CD1 3.86Å; A73-Y76 HydrophobicContact CB-CD2 3.92Å; A73-Y76 HydrophobicContact CB-CE1 3.67Å; A73-Y76 HydrophobicContact CB-CE2 3.76Å; A73-Y76 HydrophobicContact CB-CG 3.94Å; A73-Y76 WeakPolarHBondContact O-CB 3.41Å; A73-Y76 PolarHBondContact O-N 3.11Å; A73-E79 WeakPolarHBondContact O-CG 3.22Å; A73-K105 HydrophobicContact CB-CB 4Å; A73-K105 HydrophobicContact CB-CD 3.95Å; A73-K105 HydrophobicContact CB-CG 3.91Å
74	L	96.9	Very high	98.4	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.058	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-52.3	-43.3	175.9	179.7	65	0	0	0	112.3	Y76 F77 E79 F110 F149	L74-Y76 PolarHBondContact O-N 3.46Å; L74-F77 PolarHBondContact O-N 3.39Å; L74-E79 VanDerWaalsContact CA-CD 3.5Å; L74-E79 WeakPolarHBondContact CA-OE2 3.42Å; L74-E79 VanDerWaalsContact N-CD 3.35Å; L74-E79 PolarHBondContact N-OE1 2.91Å; L74-F110 HydrophobicContact CD2-CE2 3.93Å; L74-F110 HydrophobicContact CD2-CZ 4.31Å; L74-F149 HydrophobicContact CD1-CZ 4.47Å; L74-F149 HydrophobicContact CD2-CE1 3.66Å; L74-F149 HydrophobicContact CD2-CZ 3.92Å; L74-F149 HydrophobicContact CG-CE1 4.04Å; L74-F149 HydrophobicContact CG-CZ 3.85Å
75	V	97.1	Very high	98.4	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-78.7	1.7	-177.2	-63.6	0	0	0	0	114.3	A73 F77 W107 F149	A73-V75 HydrophobicContact CB-CG2 4.35Å; A73-V75 PolarHBondContact O-N 3.17Å; V75-F77 VanDerWaalsContact C-N 3.28Å; V75-F77 WeakPolarHBondContact O-CD2 3.29Å; V75-F77 WeakPolarHBondContact O-CE2 3.4Å; V75-W107 HydrophobicContact CB-CD2 4.32Å; V75-W107 HydrophobicContact CB-CE3 4.37Å; V75-W107 HydrophobicContact CG1-CB 3.89Å; V75-W107 HydrophobicContact CG1-CD2 3.43Å; V75-W107 VanDerWaalsContact CG1-CD2 3.43Å; V75-W107 HydrophobicContact CG1-CE3 3.93Å; V75-W107 HydrophobicContact CG1-CG 3.39Å; V75-W107 HydrophobicContact CG2-CD2 4.07Å; V75-W107 HydrophobicContact CG2-CE3 3.64Å; V75-W107 HydrophobicContact CG2-CZ3 3.89Å; V75-F149 HydrophobicContact CG1-CB 4.09Å; V75-F149 HydrophobicContact CG1-CD1 3.8Å; V75-F149 HydrophobicContact CG1-CD2 4.12Å; V75-F149 HydrophobicContact CG1-CE1 4.18Å; V75-F149 HydrophobicContact CG1-CE2 4.47Å; V75-F149 HydrophobicContact CG1-CG 3.75Å; V75-F149 HydrophobicContact CG1-CZ 4.49Å
76	Y	97.8	Very high	98.4	Very high	36 Å²	36	23.4 Å²	23.4	14%	0.141	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-85	-9.5	169.7	-58.9	-6.3	0	0	0	111.6	Y44 A73 L74 N78 K105	Y44-Y76 AromaticContact CD2-CD1 3.71Å; Y44-Y76 HydrophobicContact CD2-CD1 3.71Å; Y44-Y76 HydrophobicContact CD2-CE1 4.05Å; Y44-Y76 HydrophobicContact CD2-CG 4.11Å; Y44-Y76 HydrophobicContact CG-CD1 4.49Å; A73-Y76 HydrophobicContact CB-CD1 3.86Å; A73-Y76 HydrophobicContact CB-CD2 3.92Å; A73-Y76 HydrophobicContact CB-CE1 3.67Å; A73-Y76 HydrophobicContact CB-CE2 3.76Å; A73-Y76 HydrophobicContact CB-CG 3.94Å; A73-Y76 WeakPolarHBondContact O-CB 3.41Å; A73-Y76 PolarHBondContact O-N 3.11Å; L74-Y76 PolarHBondContact O-N 3.46Å; Y76-N78 VanDerWaalsContact CB-OD1 3.23Å; Y76-N78 WeakPolarHBondContact CB-OD1 3.48Å; Y76-N78 PolarHBondContact O-N 2.93Å; Y76-N78 VanDerWaalsContact O-N 3.1Å; Y76-K105 PolarHBondContact OH-NZ 2.73Å; Y76-K105 VanDerWaalsContact OH-NZ 3.11Å
77	F	97.4	Very high	98.5	Very high	107 Å²	107	24.7 Å²	24.7	47%	0.469	11%	0.112	S	C	.	.	S	Bend	trans	59.3	17.5	177.7	-57	-88.7	0	0	0	114.7	P47 L74 V75 H80 F149	P47-F77 HydrophobicContact CB-CB 4.48Å; P47-F77 HydrophobicContact CB-CD2 4.44Å; P47-F77 HydrophobicContact CG-CD2 4.12Å; L74-F77 PolarHBondContact O-N 3.39Å; V75-F77 VanDerWaalsContact C-N 3.28Å; V75-F77 WeakPolarHBondContact O-CD2 3.29Å; V75-F77 WeakPolarHBondContact O-CE2 3.4Å; F77-H80 PolarHBondContact O-CE1 3.39Å; F77-H80 VanDerWaalsContact O-CE1 3.27Å; F77-F149 HydrophobicContact CD1-CE2 4.48Å; F77-F149 AromaticContact CE1-CD2 3.9Å; F77-F149 HydrophobicContact CE1-CD2 3.9Å; F77-F149 AromaticContact CE1-CE2 3.56Å; F77-F149 HydrophobicContact CE1-CE2 3.56Å; F77-F149 AromaticContact CZ-CD2 3.61Å; F77-F149 HydrophobicContact CZ-CD2 3.61Å; F77-F149 AromaticContact CZ-CE2 3.75Å; F77-F149 HydrophobicContact CZ-CE2 3.75Å
78	N	98.4	Very high	98.5	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.053	13%	0.127	C	C	.	.			trans	-131	12.6	-177.8	67.6	-6.9	0	0	0	114	T43 T55 Y76 H80 E81 V82	T43-N78 PolarHBondContact O-ND2 3.24Å; T55-N78 HydrophobicContact CG2-CB 4.44Å; T55-N78 PolarHBondContact OG1-ND2 2.91Å; T55-N78 VanDerWaalsContact OG1-ND2 3.09Å; Y76-N78 VanDerWaalsContact CB-OD1 3.23Å; Y76-N78 WeakPolarHBondContact CB-OD1 3.48Å; Y76-N78 PolarHBondContact O-N 2.93Å; Y76-N78 VanDerWaalsContact O-N 3.1Å; N78-H80 PolarHBondContact O-N 3.36Å; N78-E81 WeakPolarHBondContact O-CB 3.39Å; N78-E81 PolarHBondContact O-N 3.48Å; N78-V82 PolarHBondContact O-N 3.35Å; N78-V82 VanDerWaalsContact O-N 3.16Å
79	E	98.6	Very high	98.5	Very high	5 Å²	5	24.6 Å²	24.6	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-53.6	-39.4	175.7	-68.9	-171.3	130.4	0	0	111.8	A73 L74 E81 V82 G83 Y102 T123 T126 L127	A73-E79 WeakPolarHBondContact O-CG 3.22Å; L74-E79 VanDerWaalsContact CA-CD 3.5Å; L74-E79 WeakPolarHBondContact CA-OE2 3.42Å; L74-E79 VanDerWaalsContact N-CD 3.35Å; L74-E79 PolarHBondContact N-OE1 2.91Å; E79-E81 VanDerWaalsContact C-N 3.29Å; E79-E81 PolarHBondContact O-N 3.36Å; E79-V82 PolarHBondContact O-N 2.9Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E79-G83 PolarHBondContact O-N 3.33Å; E79-Y102 PolarHBondContact OE1-OH 3.31Å; E79-T123 VanDerWaalsContact OE1-CG2 3.31Å; E79-T123 WeakPolarHBondContact OE1-CG2 3.31Å; E79-T123 PolarHBondContact OE1-OG1 3.06Å; E79-T123 PolarHBondContact OE2-OG1 3.22Å; E79-T126 HydrophobicContact CB-CG2 3.88Å; E79-L127 HydrophobicContact CB-CD2 4.3Å; E79-L127 WeakPolarHBondContact O-CD2 3.24Å
80	H	98.8	Very high	98.5	Very high	96 Å²	96	27 Å²	27	44%	0.444	13%	0.127	S	C	.	.	H	α-helix	trans	-60	-36.1	176.8	66.4	-80.2	0	0	0	113.1	F77 N78 Q84 T126	F77-H80 PolarHBondContact O-CE1 3.39Å; F77-H80 VanDerWaalsContact O-CE1 3.27Å; N78-H80 PolarHBondContact O-N 3.36Å; H80-Q84 WeakPolarHBondContact O-CB 3.49Å; H80-Q84 PolarHBondContact O-N 3.42Å; H80-T126 HydrophobicContact CB-CG2 3.79Å
81	E	98.8	Very high	98.5	Very high	17 Å²	17	31.3 Å²	31.3	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-72.1	-36.9	176.4	-67.2	-165.8	-171.7	0	0	111.4	G53 T55 V56 N78 E79 A85	G53-E81 WeakPolarHBondContact CA-OE2 3.07Å; G53-E81 VanDerWaalsContact N-CD 3.33Å; G53-E81 PolarHBondContact N-OE1 3Å; G53-E81 PolarHBondContact N-OE2 3.45Å; T55-E81 WeakPolarHBondContact CA-OE2 3.44Å; T55-E81 WeakPolarHBondContact CB-OE2 3.32Å; T55-E81 HydrophobicContact CG2-CB 4.27Å; T55-E81 PolarHBondContact N-OE2 3.22Å; T55-E81 PolarHBondContact OG1-OE2 3.47Å; T55-E81 VanDerWaalsContact OG1-OE2 3.05Å; V56-E81 HydrophobicContact CG2-CB 3.54Å; V56-E81 HydrophobicContact CG2-CG 3.8Å; V56-E81 PolarHBondContact N-OE2 3.48Å; N78-E81 WeakPolarHBondContact O-CB 3.39Å; N78-E81 PolarHBondContact O-N 3.48Å; E79-E81 VanDerWaalsContact C-N 3.29Å; E79-E81 PolarHBondContact O-N 3.36Å; E81-A85 PolarHBondContact O-N 3.44Å
82	V	98.8	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-46.7	174.6	-176.6	0	0	0	0	110.6	T43 T55 V59 F70 N78 E79 Q84 A85 I86 Y102	T43-V82 HydrophobicContact CG2-CG2 3.85Å; T55-V82 HydrophobicContact CG2-CG2 3.66Å; V59-V82 HydrophobicContact CG1-CG1 4.49Å; V59-V82 HydrophobicContact CG2-CG1 4.36Å; V59-V82 HydrophobicContact CG2-CG2 4.32Å; F70-V82 HydrophobicContact CB-CG1 4.45Å; N78-V82 PolarHBondContact O-N 3.35Å; N78-V82 VanDerWaalsContact O-N 3.16Å; E79-V82 PolarHBondContact O-N 2.9Å; E79-V82 VanDerWaalsContact O-N 3.13Å; V82-Q84 PolarHBondContact O-N 3.09Å; V82-A85 PolarHBondContact O-N 3.38Å; V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.42Å; V82-I86 PolarHBondContact O-N 3.09Å; V82-Y102 HydrophobicContact CB-CE2 4.38Å; V82-Y102 HydrophobicContact CG1-CD2 3.99Å; V82-Y102 HydrophobicContact CG1-CE2 3.68Å
83	G	98.9	Very high	98.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-44.5	176	0	0	0	0	0	112	E79 A85 I86 N87 L127	E79-G83 PolarHBondContact O-N 3.33Å; G83-A85 PolarHBondContact O-N 2.86Å; G83-I86 PolarHBondContact O-N 3.24Å; G83-N87 WeakPolarHBondContact O-CB 3.35Å; G83-N87 PolarHBondContact O-N 2.81Å; G83-N87 PolarHBondContact O-ND2 3.26Å; G83-L127 WeakPolarHBondContact CA-O 3.44Å
84	Q	98.9	Very high	98.4	Very high	93 Å²	93	41.1 Å²	41.1	44%	0.435	23%	0.232	S	C	.	.	H	α-helix	trans	-56	-53.1	174.5	178.6	-178.7	-13.4	0	0	111.4	V56 H80 V82 I86 N87 E88	V56-Q84 HydrophobicContact CG1-CG 4.29Å; V56-Q84 HydrophobicContact CG2-CB 4.46Å; V56-Q84 HydrophobicContact CG2-CG 4.5Å; H80-Q84 WeakPolarHBondContact O-CB 3.49Å; H80-Q84 PolarHBondContact O-N 3.42Å; V82-Q84 PolarHBondContact O-N 3.09Å; Q84-I86 PolarHBondContact O-N 3.04Å; Q84-N87 PolarHBondContact O-N 2.84Å; Q84-E88 HydrophobicContact CG-CG 4.45Å; Q84-E88 VanDerWaalsContact CG-OE1 3.25Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.45Å; Q84-E88 PolarHBondContact NE2-OE1 3.32Å; Q84-E88 WeakPolarHBondContact O-CB 3.39Å; Q84-E88 WeakPolarHBondContact O-CG 3.28Å; Q84-E88 PolarHBondContact O-N 3.4Å
85	A	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-47.2	-178.4	0	0	0	0	0	112.9	V56 V59 K60 E81 V82 G83 E88 K89	V56-A85 HydrophobicContact CG1-CB 4.2Å; V56-A85 WeakPolarHBondContact O-CB 3.34Å; V59-A85 HydrophobicContact CB-CB 3.56Å; V59-A85 HydrophobicContact CG1-CB 3.42Å; V59-A85 VanDerWaalsContact CG1-CB 3.42Å; K60-A85 HydrophobicContact CG-CB 3.72Å; E81-A85 PolarHBondContact O-N 3.44Å; V82-A85 PolarHBondContact O-N 3.38Å; G83-A85 PolarHBondContact O-N 2.86Å; A85-E88 PolarHBondContact O-N 3.11Å; A85-K89 WeakPolarHBondContact O-CG 3.47Å; A85-K89 PolarHBondContact O-N 2.98Å; A85-K89 VanDerWaalsContact O-N 3.07Å
86	I	98.9	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-46.3	179.7	-67.5	166.6	0	0	0	110.4	V59 I63 F70 V82 G83 Q84 E88 K89 I90 I100 Y102 M129	V59-I86 HydrophobicContact CG1-CG1 4.1Å; I63-I86 HydrophobicContact CD1-CG1 4.17Å; F70-I86 HydrophobicContact CD2-CD1 4.24Å; F70-I86 HydrophobicContact CG-CD1 4.44Å; V82-I86 HydrophobicContact CG1-CD1 3.71Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.42Å; V82-I86 PolarHBondContact O-N 3.09Å; G83-I86 PolarHBondContact O-N 3.24Å; Q84-I86 PolarHBondContact O-N 3.04Å; I86-E88 VanDerWaalsContact C-N 3.35Å; I86-E88 PolarHBondContact O-N 2.94Å; I86-K89 PolarHBondContact O-N 3.37Å; I86-I90 HydrophobicContact CG2-CD1 3.75Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 WeakPolarHBondContact O-CG1 3.18Å; I86-I90 PolarHBondContact O-N 3.4Å; I86-I100 HydrophobicContact CD1-CG2 4.07Å; I86-I100 HydrophobicContact CG1-CG2 4.46Å; I86-I100 HydrophobicContact CG2-CG1 4.35Å; I86-I100 HydrophobicContact CG2-CG2 4.18Å; I86-Y102 HydrophobicContact CD1-CD2 4.28Å; I86-M129 HydrophobicContact CB-CE 3.63Å; I86-M129 HydrophobicContact CD1-CE 3.79Å; I86-M129 HydrophobicContact CG1-CE 4.31Å; I86-M129 HydrophobicContact CG2-CE 3.41Å; I86-M129 VanDerWaalsContact CG2-CE 3.41Å
87	N	98.9	Very high	98.6	Very high	51 Å²	51	47 Å²	47	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-37.7	179.6	-76.2	-56.4	0	0	0	112.6	G83 Q84 I90 A91 L127	G83-N87 WeakPolarHBondContact O-CB 3.35Å; G83-N87 PolarHBondContact O-N 2.81Å; G83-N87 PolarHBondContact O-ND2 3.26Å; Q84-N87 PolarHBondContact O-N 2.84Å; N87-I90 PolarHBondContact O-N 2.75Å; N87-A91 WeakPolarHBondContact O-CB 3.4Å; N87-A91 PolarHBondContact O-N 2.91Å; N87-L127 PolarHBondContact ND2-O 2.73Å
88	E	98.9	Very high	98.7	Very high	65 Å²	65	47.3 Å²	47.3	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-42.1	173.7	-75.5	178.7	-162	0	0	111.9	K60 Q84 A85 I86 I90 A91 D92	K60-E88 WeakPolarHBondContact CD-OE2 3.38Å; K60-E88 WeakPolarHBondContact CE-OE2 3.26Å; K60-E88 IonicContact NZ-OE2 3.35Å; K60-E88 PolarHBondContact NZ-OE2 2.98Å; Q84-E88 HydrophobicContact CG-CG 4.45Å; Q84-E88 VanDerWaalsContact CG-OE1 3.25Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.45Å; Q84-E88 PolarHBondContact NE2-OE1 3.32Å; Q84-E88 WeakPolarHBondContact O-CB 3.39Å; Q84-E88 WeakPolarHBondContact O-CG 3.28Å; Q84-E88 PolarHBondContact O-N 3.4Å; A85-E88 PolarHBondContact O-N 3.11Å; I86-E88 VanDerWaalsContact C-N 3.35Å; I86-E88 PolarHBondContact O-N 2.94Å; E88-I90 VanDerWaalsContact C-N 3.31Å; E88-I90 PolarHBondContact O-N 3.31Å; E88-A91 PolarHBondContact O-N 3.45Å; E88-D92 PolarHBondContact O-N 2.94Å
89	K	98.8	Very high	98.6	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-73.9	-19.3	177.6	-63.2	-56.7	-63.4	165.9	0	114	K60 I63 D64 A85 I86 D92 T94 V95	K60-K89 HydrophobicContact CB-CD 4.24Å; K60-K89 HydrophobicContact CB-CG 4.42Å; K60-K89 HydrophobicContact CG-CD 4.19Å; K60-K89 HydrophobicContact CG-CG 4.12Å; I63-K89 HydrophobicContact CB-CG 4.14Å; I63-K89 HydrophobicContact CD1-CB 3.78Å; I63-K89 HydrophobicContact CD1-CG 3.66Å; I63-K89 HydrophobicContact CG1-CG 4.46Å; I63-K89 HydrophobicContact CG2-CB 4.02Å; I63-K89 HydrophobicContact CG2-CG 4.05Å; D64-K89 WeakPolarHBondContact OD1-CE 3.29Å; D64-K89 IonicContact OD1-NZ 2.75Å; D64-K89 PolarHBondContact OD1-NZ 3.41Å; A85-K89 WeakPolarHBondContact O-CG 3.47Å; A85-K89 PolarHBondContact O-N 2.98Å; A85-K89 VanDerWaalsContact O-N 3.07Å; I86-K89 PolarHBondContact O-N 3.37Å; K89-D92 WeakPolarHBondContact CA-OD1 3.44Å; K89-D92 IonicContact NZ-OD1 2.71Å; K89-D92 IonicContact NZ-OD2 2.98Å; K89-D92 PolarHBondContact NZ-OD2 3.37Å; K89-T94 VanDerWaalsContact CE-CB 3.47Å; K89-T94 VanDerWaalsContact CE-OG1 3.29Å; K89-T94 WeakPolarHBondContact CE-OG1 3.29Å; K89-T94 PolarHBondContact NZ-OG1 3.49Å; K89-T94 PolarHBondContact O-N 3.11Å; K89-T94 VanDerWaalsContact O-N 3.11Å; K89-V95 HydrophobicContact CB-CG2 4.03Å; K89-V95 PolarHBondContact O-N 3.41Å
90	I	98.8	Very high	98.6	Very high	50 Å²	50	49.5 Å²	49.5	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-77.4	-46.3	167.6	-68.3	166.7	0	0	0	109.8	I86 N87 E88 D92 G93 V95 R97	I86-I90 HydrophobicContact CG2-CD1 3.75Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 WeakPolarHBondContact O-CG1 3.18Å; I86-I90 PolarHBondContact O-N 3.4Å; N87-I90 PolarHBondContact O-N 2.75Å; E88-I90 VanDerWaalsContact C-N 3.31Å; E88-I90 PolarHBondContact O-N 3.31Å; I90-D92 VanDerWaalsContact C-N 3.33Å; I90-D92 PolarHBondContact O-N 2.77Å; I90-G93 PolarHBondContact O-N 3.15Å; I90-G93 VanDerWaalsContact O-N 3.09Å; I90-V95 WeakPolarHBondContact CA-O 3.38Å; I90-V95 HydrophobicContact CG1-CG2 4.2Å; I90-R97 HydrophobicContact CD1-CB 4.04Å
91	A	98.8	Very high	98.7	Very high	91 Å²	91	45.5 Å²	45.5	75%	0.752	25%	0.249	S	C	*	.	H	α-helix	trans	-65.3	-33.7	-178.1	0	0	0	0	0	113.2	N87 E88 G93	N87-A91 WeakPolarHBondContact O-CB 3.4Å; N87-A91 PolarHBondContact O-N 2.91Å; E88-A91 PolarHBondContact O-N 3.45Å; A91-G93 VanDerWaalsContact C-N 3.25Å; A91-G93 PolarHBondContact O-N 2.86Å
92	D	98.3	Very high	98.7	Very high	90 Å²	90	44.7 Å²	44.7	48%	0.481	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.6	175.2	77.8	8.7	0	0	0	113.8	E88 K89 I90 T94	E88-D92 PolarHBondContact O-N 2.94Å; K89-D92 WeakPolarHBondContact CA-OD1 3.44Å; K89-D92 IonicContact NZ-OD1 2.71Å; K89-D92 IonicContact NZ-OD2 2.98Å; K89-D92 PolarHBondContact NZ-OD2 3.37Å; I90-D92 VanDerWaalsContact C-N 3.33Å; I90-D92 PolarHBondContact O-N 2.77Å; D92-T94 VanDerWaalsContact CG-OG1 3.26Å; D92-T94 WeakPolarHBondContact OD1-CB 3.34Å; D92-T94 PolarHBondContact OD1-N 2.9Å; D92-T94 PolarHBondContact OD1-OG1 3.37Å; D92-T94 PolarHBondContact OD2-OG1 3.09Å
93	G	98.4	Very high	98.7	Very high	61 Å²	61	44.7 Å²	44.7	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	9.8	177.9	0	0	0	0	0	115.3	I90 A91 V95	I90-G93 PolarHBondContact O-N 3.15Å; I90-G93 VanDerWaalsContact O-N 3.09Å; A91-G93 VanDerWaalsContact C-N 3.25Å; A91-G93 PolarHBondContact O-N 2.86Å; G93-V95 VanDerWaalsContact C-N 3.35Å
94	T	98.4	Very high	98.7	Very high	60 Å²	60	44.7 Å²	44.7	37%	0.368	25%	0.245	S	C	.	.	S	Bend	trans	-66.7	-36.4	178.7	-57.9	0	0	0	0	112.5	I63 K89 D92	I63-T94 HydrophobicContact CG2-CG2 4.07Å; K89-T94 VanDerWaalsContact CE-CB 3.47Å; K89-T94 VanDerWaalsContact CE-OG1 3.29Å; K89-T94 WeakPolarHBondContact CE-OG1 3.29Å; K89-T94 PolarHBondContact NZ-OG1 3.49Å; K89-T94 PolarHBondContact O-N 3.11Å; K89-T94 VanDerWaalsContact O-N 3.11Å; D92-T94 VanDerWaalsContact CG-OG1 3.26Å; D92-T94 WeakPolarHBondContact OD1-CB 3.34Å; D92-T94 PolarHBondContact OD1-N 2.9Å; D92-T94 PolarHBondContact OD1-OG1 3.37Å; D92-T94 PolarHBondContact OD2-OG1 3.09Å
95	V	98.5	Very high	98.7	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	22%	0.224	C	C	.	.			trans	-143	157.8	178.5	-70.1	0	0	0	0	110.2	I63 R68 K89 I90 G93 D99 I100	I63-V95 HydrophobicContact CG2-CG1 3.67Å; I63-V95 HydrophobicContact CG2-CG2 4.03Å; R68-V95 VanDerWaalsContact CZ-CG1 3.49Å; K89-V95 HydrophobicContact CB-CG2 4.03Å; K89-V95 PolarHBondContact O-N 3.41Å; I90-V95 WeakPolarHBondContact CA-O 3.38Å; I90-V95 HydrophobicContact CG1-CG2 4.2Å; G93-V95 VanDerWaalsContact C-N 3.35Å; V95-D99 HydrophobicContact CB-CB 4.41Å; V95-I100 HydrophobicContact CB-CD1 4.43Å; V95-I100 HydrophobicContact CB-CG1 4.38Å; V95-I100 HydrophobicContact CG1-CD1 4.44Å; V95-I100 HydrophobicContact CG2-CD1 4.07Å; V95-I100 HydrophobicContact CG2-CG1 3.99Å
96	R	98.6	Very high	98.7	Very high	136 Å²	136	40.3 Å²	40.3	51%	0.513	22%	0.224	S	C	.	.			trans	-96.2	164.8	166.1	-52.4	170.1	-63.9	158.2	-1.4	109.9	E98 D99	R96-E98 VanDerWaalsContact C-N 3.25Å; R96-E98 VanDerWaalsContact CB-CD 3.45Å; R96-E98 HydrophobicContact CB-CG 4.17Å; R96-E98 VanDerWaalsContact CB-OE2 3.27Å; R96-E98 WeakPolarHBondContact CB-OE2 3.29Å; R96-E98 VanDerWaalsContact CD-OE1 3.31Å; R96-E98 WeakPolarHBondContact CD-OE1 3.01Å; R96-E98 IonicContact CZ-OE1 2.79Å; R96-E98 IonicContact NE-OE1 3.01Å; R96-E98 PolarHBondContact NE-OE1 3.19Å; R96-E98 IonicContact NH1-OE1 2.74Å; R96-E98 PolarHBondContact NH1-OE1 2.95Å; R96-E98 IonicContact NH2-OE1 3.32Å; R96-E98 PolarHBondContact O-N 3.16Å; R96-D99 VanDerWaalsContact CB-OD2 3.32Å; R96-D99 WeakPolarHBondContact CB-OD2 3.43Å; R96-D99 IonicContact CZ-OD1 3.56Å; R96-D99 IonicContact CZ-OD2 3.96Å; R96-D99 PolarHBondContact N-OD2 2.76Å; R96-D99 IonicContact NE-OD1 2.83Å; R96-D99 IonicContact NE-OD2 2.65Å; R96-D99 PolarHBondContact NE-OD2 2.96Å; R96-D99 VanDerWaalsContact NE-OD2 3.14Å; R96-D99 IonicContact NH2-OD1 2.82Å; R96-D99 PolarHBondContact NH2-OD1 2.58Å; R96-D99 IonicContact NH2-OD2 3.87Å; R96-D99 WeakPolarHBondContact O-CB 3.5Å; R96-D99 PolarHBondContact O-N 2.93Å
97	R	98.6	Very high	98.7	Very high	38 Å²	38	40.7 Å²	40.7	14%	0.143	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-59.8	-39.5	179.2	176.6	58.6	-168.4	89.1	-6.1	111.3	I90 D99 I100 Y131 D133	I90-R97 HydrophobicContact CD1-CB 4.04Å; R97-D99 PolarHBondContact O-N 3.33Å; R97-I100 PolarHBondContact NH1-O 2.66Å; R97-I100 PolarHBondContact O-N 3.32Å; R97-I100 VanDerWaalsContact O-N 3.16Å; R97-Y131 HydrophobicContact CG-CE1 4.1Å; R97-Y131 VanDerWaalsContact NH2-CE2 3.29Å; R97-Y131 PolarHBondContact NH2-O 2.9Å; R97-D133 IonicContact CZ-OD2 3.16Å; R97-D133 VanDerWaalsContact CZ-OD2 3.32Å; R97-D133 IonicContact NH1-OD1 3.39Å; R97-D133 PolarHBondContact NH1-OD1 2.82Å; R97-D133 IonicContact NH1-OD2 2.74Å; R97-D133 PolarHBondContact NH1-OD2 3.16Å; R97-D133 IonicContact NH2-OD1 3.14Å; R97-D133 IonicContact NH2-OD2 2.88Å; R97-D133 PolarHBondContact NH2-OD2 2.88Å
98	E	98.1	Very high	98.6	Very high	114 Å²	114	38.2 Å²	38.2	53%	0.533	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-69.5	-14.4	178.3	63.6	-92.5	-147	0	0	114.4	R96 I100	R96-E98 VanDerWaalsContact C-N 3.25Å; R96-E98 VanDerWaalsContact CB-CD 3.45Å; R96-E98 HydrophobicContact CB-CG 4.17Å; R96-E98 VanDerWaalsContact CB-OE2 3.27Å; R96-E98 WeakPolarHBondContact CB-OE2 3.29Å; R96-E98 VanDerWaalsContact CD-OE1 3.31Å; R96-E98 WeakPolarHBondContact CD-OE1 3.01Å; R96-E98 IonicContact CZ-OE1 2.79Å; R96-E98 IonicContact NE-OE1 3.01Å; R96-E98 PolarHBondContact NE-OE1 3.19Å; R96-E98 IonicContact NH1-OE1 2.74Å; R96-E98 PolarHBondContact NH1-OE1 2.95Å; R96-E98 IonicContact NH2-OE1 3.32Å; R96-E98 PolarHBondContact O-N 3.16Å; E98-I100 VanDerWaalsContact C-N 3.32Å
99	D	97.8	Very high	98.6	Very high	58 Å²	58	35.1 Å²	35.1	31%	0.31	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-84.1	-11.7	174.1	-54.9	-42.5	0	0	0	111.4	R68 V95 R96 R97	R68-D99 WeakPolarHBondContact CB-O 3.11Å; R68-D99 VanDerWaalsContact CD-O 3.27Å; R68-D99 WeakPolarHBondContact CD-O 3.49Å; V95-D99 HydrophobicContact CB-CB 4.41Å; R96-D99 VanDerWaalsContact CB-OD2 3.32Å; R96-D99 WeakPolarHBondContact CB-OD2 3.43Å; R96-D99 IonicContact CZ-OD1 3.56Å; R96-D99 IonicContact CZ-OD2 3.96Å; R96-D99 PolarHBondContact N-OD2 2.76Å; R96-D99 IonicContact NE-OD1 2.83Å; R96-D99 IonicContact NE-OD2 2.65Å; R96-D99 PolarHBondContact NE-OD2 2.96Å; R96-D99 VanDerWaalsContact NE-OD2 3.14Å; R96-D99 IonicContact NH2-OD1 2.82Å; R96-D99 PolarHBondContact NH2-OD1 2.58Å; R96-D99 IonicContact NH2-OD2 3.87Å; R96-D99 WeakPolarHBondContact O-CB 3.5Å; R96-D99 PolarHBondContact O-N 2.93Å; R97-D99 PolarHBondContact O-N 3.33Å
100	I	98.8	Very high	98.6	Very high	3 Å²	3	36 Å²	36	2%	0.015	20%	0.202	C	C	.	.			trans	-106.1	132.3	-176.4	-62.8	-69.8	0	0	0	110.6	I63 R68 F70 I86 V95 R97 E98 D133	I63-I100 HydrophobicContact CD1-CD1 4.25Å; I63-I100 HydrophobicContact CG1-CD1 4.25Å; R68-I100 CarbonylContact O-C 3.6Å; F70-I100 HydrophobicContact CD2-CD1 4.45Å; F70-I100 HydrophobicContact CD2-CG2 4.07Å; F70-I100 HydrophobicContact CE2-CD1 3.84Å; F70-I100 HydrophobicContact CE2-CG2 4.47Å; I86-I100 HydrophobicContact CD1-CG2 4.07Å; I86-I100 HydrophobicContact CG1-CG2 4.46Å; I86-I100 HydrophobicContact CG2-CG1 4.35Å; I86-I100 HydrophobicContact CG2-CG2 4.18Å; V95-I100 HydrophobicContact CB-CD1 4.43Å; V95-I100 HydrophobicContact CB-CG1 4.38Å; V95-I100 HydrophobicContact CG1-CD1 4.44Å; V95-I100 HydrophobicContact CG2-CD1 4.07Å; V95-I100 HydrophobicContact CG2-CG1 3.99Å; R97-I100 PolarHBondContact NH1-O 2.66Å; R97-I100 PolarHBondContact O-N 3.32Å; R97-I100 VanDerWaalsContact O-N 3.16Å; E98-I100 VanDerWaalsContact C-N 3.32Å; I100-D133 VanDerWaalsContact O-OD2 3.1Å
101	F	98.9	Very high	98.6	Very high	12 Å²	12	33.8 Å²	33.8	5%	0.053	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.5	170.3	-169.2	-75.7	0	0	0	109.5	L30 Q35 I36 P37 R68 H69 F70 C103 D133 L134	L30-F101 HydrophobicContact CD1-CE2 4.19Å; L30-F101 HydrophobicContact CD1-CZ 4.39Å; Q35-F101 WeakPolarHBondContact O-CD2 3.34Å; Q35-F101 WeakPolarHBondContact O-CE2 3.49Å; I36-F101 HydrophobicContact CB-CD2 4.44Å; I36-F101 HydrophobicContact CB-CE2 3.9Å; I36-F101 HydrophobicContact CB-CZ 3.99Å; I36-F101 HydrophobicContact CD1-CE1 3.75Å; I36-F101 HydrophobicContact CD1-CE2 4.44Å; I36-F101 HydrophobicContact CD1-CZ 3.67Å; I36-F101 HydrophobicContact CG1-CD1 4.26Å; I36-F101 HydrophobicContact CG1-CD2 4.37Å; I36-F101 HydrophobicContact CG1-CE1 3.86Å; I36-F101 HydrophobicContact CG1-CE2 3.98Å; I36-F101 HydrophobicContact CG1-CG 4.49Å; I36-F101 HydrophobicContact CG1-CZ 3.69Å; P37-F101 HydrophobicContact CG-CB 4.11Å; R68-F101 WeakPolarHBondContact O-CB 3.4Å; R68-F101 PolarHBondContact O-N 2.83Å; H69-F101 CarbonylContact C-O 3.01Å; H69-F101 VanDerWaalsContact CA-O 3.23Å; H69-F101 WeakPolarHBondContact CA-O 3.45Å; H69-F101 HydrophobicContact CB-CB 4.25Å; H69-F101 AromaticContact CD2-CD1 3.5Å; H69-F101 AromaticContact NE2-CD1 3.87Å; F70-F101 PolarHBondContact N-O 3.23Å; F101-C103 HydrophobicContact CE1-CB 4.39Å; F101-D133 WeakPolarHBondContact CA-OD2 3.41Å; F101-D133 HydrophobicContact CB-CB 4.34Å; F101-D133 HydrophobicContact CD1-CB 4.11Å; F101-D133 HydrophobicContact CD2-CB 3.64Å; F101-D133 HydrophobicContact CE1-CB 4.35Å; F101-D133 HydrophobicContact CE2-CB 3.9Å; F101-D133 HydrophobicContact CG-CB 3.76Å; F101-D133 HydrophobicContact CZ-CB 4.27Å; F101-L134 HydrophobicContact CE1-CB 3.61Å; F101-L134 HydrophobicContact CE1-CD2 4.07Å; F101-L134 HydrophobicContact CE1-CG 4.5Å; F101-L134 HydrophobicContact CZ-CB 3.53Å; F101-L134 HydrophobicContact CZ-CD2 4.1Å; F101-L134 HydrophobicContact CZ-CG 4.4Å
102	Y	98.9	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	173.1	-179.5	-93	0	0	0	111.4	F70 E79 V82 I86 L127 V132 D133 L134	F70-Y102 HydrophobicContact CB-CD2 4.11Å; F70-Y102 WeakPolarHBondContact O-CA 3.48Å; E79-Y102 PolarHBondContact OE1-OH 3.31Å; V82-Y102 HydrophobicContact CB-CE2 4.38Å; V82-Y102 HydrophobicContact CG1-CD2 3.99Å; V82-Y102 HydrophobicContact CG1-CE2 3.68Å; I86-Y102 HydrophobicContact CD1-CD2 4.28Å; Y102-L127 HydrophobicContact CD1-CD1 3.78Å; Y102-L127 HydrophobicContact CE1-CD1 3.33Å; Y102-L127 HydrophobicContact CE1-CD2 4.24Å; Y102-L127 HydrophobicContact CE1-CG 4.41Å; Y102-L127 HydrophobicContact CE2-CD2 4.07Å; Y102-V132 HydrophobicContact CD1-CB 4.03Å; Y102-V132 HydrophobicContact CD1-CG1 3.61Å; Y102-V132 HydrophobicContact CE1-CG1 3.96Å; Y102-D133 PolarHBondContact N-OD2 3.44Å; Y102-D133 PolarHBondContact O-N 3.41Å; Y102-L134 PolarHBondContact O-N 3.04Å; Y102-L134 VanDerWaalsContact O-N 3.1Å
103	C	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.9	172.5	175.8	0	0	0	0	109.9	F70 D71 G72 F101 L134	F70-C103 PolarHBondContact O-N 2.94Å; D71-C103 PolarHBondContact OD2-SG 2.75Å; D71-C103 VanDerWaalsContact OD2-SG 3.38Å; G72-C103 PolarHBondContact N-O 2.8Å; F101-C103 HydrophobicContact CE1-CB 4.39Å; C103-L134 WeakPolarHBondContact CA-O 3.44Å; C103-L134 HydrophobicContact CB-CB 4.24Å; C103-L134 HydrophobicContact CB-CD2 4.23Å; C103-L134 HydrophobicContact CB-CG 4.49Å
104	G	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	165.7	169.9	0	0	0	0	0	111.7	L134 Y135 I136	G104-L134 PolarHBondContact N-O 3.4Å; G104-Y135 WeakPolarHBondContact O-CA 3.01Å; G104-Y135 WeakPolarHBondContact O-CD2 3.45Å; G104-I136 PolarHBondContact O-N 2.95Å; G104-I136 VanDerWaalsContact O-N 3.13Å
105	K	98.9	Very high	98.7	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.5	-174.6	-44.2	-170	179.7	75.4	0	112.7	D71 G72 A73 Y76 Y135 I136 E138	D71-K105 IonicContact OD1-NZ 2.83Å; D71-K105 PolarHBondContact OD1-NZ 3.46Å; D71-K105 WeakPolarHBondContact OD2-CE 3.39Å; D71-K105 IonicContact OD2-NZ 2.94Å; D71-K105 PolarHBondContact OD2-NZ 2.87Å; G72-K105 WeakPolarHBondContact O-CG 3.5Å; G72-K105 PolarHBondContact O-NZ 3.29Å; A73-K105 HydrophobicContact CB-CB 4Å; A73-K105 HydrophobicContact CB-CD 3.95Å; A73-K105 HydrophobicContact CB-CG 3.91Å; Y76-K105 PolarHBondContact OH-NZ 2.73Å; Y76-K105 VanDerWaalsContact OH-NZ 3.11Å; K105-Y135 PolarHBondContact O-OH 3.19Å; K105-I136 CarbonylContact C-O 3.55Å; K105-I136 WeakPolarHBondContact CA-O 3.39Å; K105-I136 HydrophobicContact CB-CG1 4.14Å; K105-I136 HydrophobicContact CD-CD1 4.02Å; K105-I136 HydrophobicContact CD-CG1 4.23Å; K105-I136 HydrophobicContact CG-CD1 3.99Å; K105-I136 HydrophobicContact CG-CG1 3.77Å; K105-E138 HydrophobicContact CB-CB 3.86Å; K105-E138 HydrophobicContact CB-CG 4.02Å; K105-E138 WeakPolarHBondContact CB-OE2 3.47Å; K105-E138 HydrophobicContact CD-CB 4.4Å; K105-E138 HydrophobicContact CD-CG 3.76Å
106	L	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.6	171.3	-177.9	75.5	0	0	0	108.9	F110 V116 A119 Y135 I136 E138 T168	L106-F110 HydrophobicContact CD1-CB 3.59Å; L106-F110 HydrophobicContact CG-CB 4.27Å; L106-V116 HydrophobicContact CD1-CG1 4.44Å; L106-V116 HydrophobicContact CD2-CG1 4.25Å; L106-V116 HydrophobicContact CD2-CG2 3.91Å; L106-A119 HydrophobicContact CD1-CB 3.69Å; L106-Y135 HydrophobicContact CB-CE1 3.8Å; L106-Y135 HydrophobicContact CD1-CE1 4.2Å; L106-I136 PolarHBondContact N-O 2.79Å; L106-E138 VanDerWaalsContact O-CB 3.25Å; L106-E138 WeakPolarHBondContact O-CB 3.22Å; L106-E138 PolarHBondContact O-N 2.92Å; L106-T168 HydrophobicContact CD2-CG2 3.75Å
107	W	98.7	Very high	98.7	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	15%	0.145	C	C	.	.			trans	-76	156.8	179.9	-175.6	-111.4	0	0	0	113	V75 T109 F110 E138 L139 F143 F149 Y150 W332	V75-W107 HydrophobicContact CB-CD2 4.32Å; V75-W107 HydrophobicContact CB-CE3 4.37Å; V75-W107 HydrophobicContact CG1-CB 3.89Å; V75-W107 HydrophobicContact CG1-CD2 3.43Å; V75-W107 VanDerWaalsContact CG1-CD2 3.43Å; V75-W107 HydrophobicContact CG1-CE3 3.93Å; V75-W107 HydrophobicContact CG1-CG 3.39Å; V75-W107 HydrophobicContact CG2-CD2 4.07Å; V75-W107 HydrophobicContact CG2-CE3 3.64Å; V75-W107 HydrophobicContact CG2-CZ3 3.89Å; W107-T109 PolarHBondContact O-N 3.46Å; W107-F110 HydrophobicContact CB-CD2 4.14Å; W107-F110 PolarHBondContact O-N 2.99Å; W107-E138 HydrophobicContact CE3-CB 4.19Å; W107-E138 VanDerWaalsContact CE3-CD 3.45Å; W107-E138 HydrophobicContact CE3-CG 3.93Å; W107-E138 VanDerWaalsContact CE3-OE2 3.26Å; W107-E138 HydrophobicContact CZ3-CG 4.06Å; W107-L139 HydrophobicContact CH2-CD1 3.97Å; W107-L139 HydrophobicContact CZ3-CD1 3.82Å; W107-F143 HydrophobicContact CZ2-CE2 4.26Å; W107-F149 AromaticContact CD1-CD1 3.64Å; W107-F149 HydrophobicContact CG-CD1 4.39Å; W107-F149 PolarHBondContact NE1-O 2.96Å; W107-Y150 AromaticContact CH2-CE1 3.65Å; W107-Y150 HydrophobicContact CH2-CE1 3.65Å; W107-Y150 AromaticContact CZ2-CD1 3.83Å; W107-Y150 HydrophobicContact CZ2-CD1 3.83Å; W107-Y150 AromaticContact CZ2-CE1 3.22Å; W107-Y150 HydrophobicContact CZ2-CE1 3.22Å; W107-Y150 AromaticContact CZ2-CZ 3.77Å; W107-W332 AromaticContact CH2-CH2 3.89Å; W107-W332 HydrophobicContact CH2-CH2 3.89Å; W107-W332 HydrophobicContact CZ2-CH2 4.38Å
108	N	98.5	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-53.2	-27.3	-173.2	-62	4.2	0	0	0	115.4	F110 L139 L141 F143	N108-F110 VanDerWaalsContact C-N 3.26Å; N108-F110 PolarHBondContact O-N 3.5Å; N108-L139 VanDerWaalsContact ND2-CD1 3.32Å; N108-L139 WeakPolarHBondContact ND2-CD1 3.26Å; N108-L139 WeakPolarHBondContact OD1-CB 2.92Å; N108-L141 WeakPolarHBondContact CB-O 3.34Å; N108-F143 HydrophobicContact CB-CB 4.06Å; N108-F143 HydrophobicContact CB-CD1 4.19Å; N108-F143 HydrophobicContact CB-CD2 3.62Å; N108-F143 HydrophobicContact CB-CE2 4.03Å; N108-F143 HydrophobicContact CB-CG 3.69Å; N108-F143 HydrophobicContact CB-CZ 4.46Å; N108-F143 WeakPolarHBondContact ND2-CE2 3.38Å; N108-F143 WeakPolarHBondContact ND2-CZ 3.41Å; N108-F143 PolarHBondContact O-N 3.16Å
109	T	98.7	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-83	1	179.1	57.3	0	0	0	0	113.7	W107 F143 P145 E148 P151	W107-T109 PolarHBondContact O-N 3.46Å; T109-F143 HydrophobicContact CG2-CB 3.76Å; T109-P145 WeakPolarHBondContact O-CA 3.32Å; T109-E148 WeakPolarHBondContact CG2-O 3.22Å; T109-P151 HydrophobicContact CG2-CG 4.34Å
110	F	98.6	Very high	98.8	Very high	28 Å²	28	23.9 Å²	23.9	12%	0.123	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-121.3	17.5	-177.9	-58.3	-87.1	0	0	0	113.2	L74 L106 W107 N108 P112 L115 A119 F149	L74-F110 HydrophobicContact CD2-CE2 3.93Å; L74-F110 HydrophobicContact CD2-CZ 4.31Å; L106-F110 HydrophobicContact CD1-CB 3.59Å; L106-F110 HydrophobicContact CG-CB 4.27Å; W107-F110 HydrophobicContact CB-CD2 4.14Å; W107-F110 PolarHBondContact O-N 2.99Å; N108-F110 VanDerWaalsContact C-N 3.26Å; N108-F110 PolarHBondContact O-N 3.5Å; F110-P112 VanDerWaalsContact C-CD 3.41Å; F110-L115 HydrophobicContact CB-CB 4.38Å; F110-L115 HydrophobicContact CD1-CB 4.3Å; F110-A119 HydrophobicContact CB-CB 3.89Å; F110-A119 HydrophobicContact CD1-CB 3.74Å; F110-A119 HydrophobicContact CE1-CB 4.44Å; F110-A119 HydrophobicContact CG-CB 3.8Å; F110-F149 HydrophobicContact CE2-CD1 4.12Å; F110-F149 AromaticContact CE2-CE1 3.77Å; F110-F149 HydrophobicContact CE2-CE1 3.77Å; F110-F149 HydrophobicContact CZ-CE1 4.18Å
111	H	98.8	Very high	98.8	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.019	13%	0.134	C	C	.	.			trans	-65.1	-30.8	176.4	-77	-152.4	0	0	0	115.5	L139 L141 A142 T168	H111-L139 PolarHBondContact CE1-O 3.32Å; H111-L139 PolarHBondContact NE2-O 3.39Å; H111-L141 PolarHBondContact CE1-O 3.22Å; H111-A142 HydrophobicContact CB-CB 3.87Å; H111-T168 PolarHBondContact O-OG1 2.96Å
112	P	98.6	Very high	98.8	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.065	15%	0.153	C	C	.	.	S	Bend	trans	-53.5	130.9	174.2	-27	34.5	0	0	0	111.1	F110 E114 L115 V116 P145	F110-P112 VanDerWaalsContact C-CD 3.41Å; P112-E114 WeakPolarHBondContact CB-OE1 3.47Å; P112-E114 PolarHBondContact O-N 3.15Å; P112-E114 VanDerWaalsContact O-N 3.09Å; P112-L115 HydrophobicContact CB-CD1 4.12Å; P112-L115 HydrophobicContact CB-CG 4.18Å; P112-L115 HydrophobicContact CG-CD1 3.97Å; P112-L115 WeakPolarHBondContact O-CB 3.49Å; P112-L115 PolarHBondContact O-N 2.81Å; P112-V116 PolarHBondContact O-N 3.19Å; P112-P145 HydrophobicContact CG-CG 3.53Å
113	P	98.7	Very high	98.8	Very high	57 Å²	57	32.2 Å²	32.2	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-51.3	-38.9	-171.6	-30.7	36.6	0	0	0	114.4	L115 V116 A167 A171	P113-L115 PolarHBondContact O-N 2.75Å; P113-V116 PolarHBondContact O-N 2.7Å; P113-A167 HydrophobicContact CG-CB 3.77Å; P113-A171 HydrophobicContact CB-CB 4.02Å; P113-A171 WeakPolarHBondContact O-CB 3.34Å
114	E	98.6	Very high	98.8	Very high	136 Å²	136	32.8 Å²	32.8	64%	0.636	16%	0.156	S	C	*	.	H	α-helix	trans	-67.1	-17.7	179.2	69	-80.5	-170.6	0	0	114.1	P112 P118	P112-E114 WeakPolarHBondContact CB-OE1 3.47Å; P112-E114 PolarHBondContact O-N 3.15Å; P112-E114 VanDerWaalsContact O-N 3.09Å; E114-P118 WeakPolarHBondContact O-CD 3.36Å; E114-P118 WeakPolarHBondContact O-CG 3.23Å
115	L	98.8	Very high	98.8	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.267	19%	0.19	S	C	.	.	H	α-helix	trans	-97.4	-16.3	-180	-60.5	-176.4	0	0	0	113.5	F110 P112 P113 P118 A119 P145	F110-L115 HydrophobicContact CB-CB 4.38Å; F110-L115 HydrophobicContact CD1-CB 4.3Å; P112-L115 HydrophobicContact CB-CD1 4.12Å; P112-L115 HydrophobicContact CB-CG 4.18Å; P112-L115 HydrophobicContact CG-CD1 3.97Å; P112-L115 WeakPolarHBondContact O-CB 3.49Å; P112-L115 PolarHBondContact O-N 2.81Å; P113-L115 PolarHBondContact O-N 2.75Å; L115-P118 WeakPolarHBondContact O-CD 3.24Å; L115-A119 VanDerWaalsContact O-CB 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.05Å; L115-A119 PolarHBondContact O-N 3.03Å; L115-P145 HydrophobicContact CD1-CB 3.75Å; L115-P145 HydrophobicContact CD1-CG 4.19Å
116	V	98.9	Very high	98.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-53.2	-175.8	174.3	0	0	0	0	111.8	L106 P112 P113 A119 L120 T168 A171 L172	L106-V116 HydrophobicContact CD1-CG1 4.44Å; L106-V116 HydrophobicContact CD2-CG1 4.25Å; L106-V116 HydrophobicContact CD2-CG2 3.91Å; P112-V116 PolarHBondContact O-N 3.19Å; P113-V116 PolarHBondContact O-N 2.7Å; V116-A119 PolarHBondContact O-N 3.42Å; V116-L120 PolarHBondContact O-N 2.84Å; V116-L120 VanDerWaalsContact O-N 3.09Å; V116-T168 HydrophobicContact CG2-CG2 4.04Å; V116-A171 HydrophobicContact CB-CB 3.73Å; V116-A171 HydrophobicContact CG1-CB 4.05Å; V116-A171 HydrophobicContact CG2-CB 3.77Å; V116-L172 HydrophobicContact CG1-CD2 3.55Å; V116-L172 HydrophobicContact CG1-CG 3.8Å
117	R	98.9	Very high	98.8	Very high	124 Å²	124	42.3 Å²	42.3	47%	0.468	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-48.4	-179.9	173.6	176.2	173.3	160	4.5	112.1	A119 L120 E121 L180	R117-A119 PolarHBondContact O-N 3.18Å; R117-L120 PolarHBondContact O-N 2.84Å; R117-L120 VanDerWaalsContact O-N 3.13Å; R117-E121 HydrophobicContact CG-CG 4.21Å; R117-E121 IonicContact CZ-OE1 2.96Å; R117-E121 VanDerWaalsContact CZ-OE1 3.3Å; R117-E121 IonicContact NE-OE1 3.67Å; R117-E121 PolarHBondContact NE-OE1 2.93Å; R117-E121 IonicContact NH2-OE1 2.66Å; R117-E121 PolarHBondContact NH2-OE1 3.09Å; R117-E121 WeakPolarHBondContact O-CG 3.39Å; R117-E121 PolarHBondContact O-N 2.86Å; R117-L180 HydrophobicContact CG-CD1 4.17Å
118	P	98.8	Very high	98.8	Very high	64 Å²	64	50 Å²	50	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-55.8	-36.1	173.9	-29.2	35.7	0	0	0	114	E114 L115 R122	E114-P118 WeakPolarHBondContact O-CD 3.36Å; E114-P118 WeakPolarHBondContact O-CG 3.23Å; L115-P118 WeakPolarHBondContact O-CD 3.24Å; P118-R122 WeakPolarHBondContact O-CB 3.36Å; P118-R122 PolarHBondContact O-N 2.88Å
119	A	98.8	Very high	98.8	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-43.9	176.1	0	0	0	0	0	112	L106 F110 L115 V116 R117 R122 T123	L106-A119 HydrophobicContact CD1-CB 3.69Å; F110-A119 HydrophobicContact CB-CB 3.89Å; F110-A119 HydrophobicContact CD1-CB 3.74Å; F110-A119 HydrophobicContact CE1-CB 4.44Å; F110-A119 HydrophobicContact CG-CB 3.8Å; L115-A119 VanDerWaalsContact O-CB 3.3Å; L115-A119 WeakPolarHBondContact O-CB 3.05Å; L115-A119 PolarHBondContact O-N 3.03Å; V116-A119 PolarHBondContact O-N 3.42Å; R117-A119 PolarHBondContact O-N 3.18Å; A119-R122 WeakPolarHBondContact O-CB 3.47Å; A119-R122 PolarHBondContact O-N 3.21Å; A119-T123 PolarHBondContact O-N 2.86Å; A119-T123 VanDerWaalsContact O-N 3.15Å
120	L	98.9	Very high	98.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-45.7	174.7	176	57.8	0	0	0	111.8	V116 R117 R122 T123 L124 V132 Y135 C175 L180 V181	V116-L120 PolarHBondContact O-N 2.84Å; V116-L120 VanDerWaalsContact O-N 3.09Å; R117-L120 PolarHBondContact O-N 2.84Å; R117-L120 VanDerWaalsContact O-N 3.13Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.87Å; L120-T123 WeakPolarHBondContact O-CB 3.43Å; L120-T123 PolarHBondContact O-N 3.32Å; L120-L124 HydrophobicContact CD1-CD1 4.47Å; L120-L124 HydrophobicContact CD1-CG 4.22Å; L120-L124 HydrophobicContact CG-CD1 4.22Å; L120-L124 HydrophobicContact CG-CG 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.27Å; L120-L124 PolarHBondContact O-N 3.44Å; L120-V132 HydrophobicContact CD1-CG2 3.83Å; L120-Y135 HydrophobicContact CB-CD1 4.34Å; L120-Y135 HydrophobicContact CB-CE1 3.84Å; L120-Y135 HydrophobicContact CD1-CD1 4.06Å; L120-Y135 HydrophobicContact CD1-CD2 3.74Å; L120-Y135 HydrophobicContact CD1-CE1 4.12Å; L120-Y135 HydrophobicContact CD1-CE2 3.8Å; L120-Y135 HydrophobicContact CD1-CG 3.89Å; L120-Y135 HydrophobicContact CD2-CD1 4.33Å; L120-Y135 HydrophobicContact CG-CD1 4.48Å; L120-Y135 HydrophobicContact CG-CE1 4.4Å; L120-C175 HydrophobicContact CD2-CB 3.73Å; L120-L180 HydrophobicContact CD2-CB 3.64Å; L120-L180 HydrophobicContact CD2-CD1 4.37Å; L120-L180 HydrophobicContact CG-CB 4.4Å; L120-V181 HydrophobicContact CD2-CB 4.29Å; L120-V181 HydrophobicContact CD2-CG1 4.16Å
121	E	98.9	Very high	98.8	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	28%	0.279	S	S	.	.	H	α-helix	trans	-58.9	-38.2	177.8	-73.9	174.8	160.5	0	0	111.4	R117 L124 E125 L180	R117-E121 HydrophobicContact CG-CG 4.21Å; R117-E121 IonicContact CZ-OE1 2.96Å; R117-E121 VanDerWaalsContact CZ-OE1 3.3Å; R117-E121 IonicContact NE-OE1 3.67Å; R117-E121 PolarHBondContact NE-OE1 2.93Å; R117-E121 IonicContact NH2-OE1 2.66Å; R117-E121 PolarHBondContact NH2-OE1 3.09Å; R117-E121 WeakPolarHBondContact O-CG 3.39Å; R117-E121 PolarHBondContact O-N 2.86Å; E121-L124 PolarHBondContact O-N 3.19Å; E121-E125 WeakPolarHBondContact O-CB 3.46Å; E121-E125 PolarHBondContact O-N 3.28Å; E121-L180 HydrophobicContact CG-CD1 4.11Å
122	R	98.8	Very high	98.8	Very high	117 Å²	117	58 Å²	58	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-44.3	172.1	178	-177	175.9	-177.4	-0.6	112.5	P118 A119 L120 L124 T126	P118-R122 WeakPolarHBondContact O-CB 3.36Å; P118-R122 PolarHBondContact O-N 2.88Å; A119-R122 WeakPolarHBondContact O-CB 3.47Å; A119-R122 PolarHBondContact O-N 3.21Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.87Å; R122-L124 VanDerWaalsContact C-N 3.34Å; R122-T126 VanDerWaalsContact O-CB 3.31Å; R122-T126 WeakPolarHBondContact O-CB 3.39Å; R122-T126 PolarHBondContact O-N 3.41Å; R122-T126 PolarHBondContact O-OG1 2.86Å
123	T	98.9	Very high	98.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-44.1	175.1	-75.5	0	0	0	0	110.6	E79 A119 L120 T126 L127 V132	E79-T123 VanDerWaalsContact OE1-CG2 3.31Å; E79-T123 WeakPolarHBondContact OE1-CG2 3.31Å; E79-T123 PolarHBondContact OE1-OG1 3.06Å; E79-T123 PolarHBondContact OE2-OG1 3.22Å; A119-T123 PolarHBondContact O-N 2.86Å; A119-T123 VanDerWaalsContact O-N 3.15Å; L120-T123 WeakPolarHBondContact O-CB 3.43Å; L120-T123 PolarHBondContact O-N 3.32Å; T123-T126 WeakPolarHBondContact O-CB 3.44Å; T123-T126 PolarHBondContact O-N 3.33Å; T123-L127 HydrophobicContact CG2-CD1 3.51Å; T123-L127 HydrophobicContact CG2-CG 4.27Å; T123-L127 WeakPolarHBondContact O-CB 3.48Å; T123-L127 VanDerWaalsContact O-CG 3.23Å; T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.2Å; T123-V132 HydrophobicContact CG2-CG1 4.44Å
124	L	98.9	Very high	98.8	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-44.8	177.5	-69.1	176.9	0	0	0	112.7	L120 E121 R122 T126 L127 K128 M129 Y131 V132 L180	L120-L124 HydrophobicContact CD1-CD1 4.47Å; L120-L124 HydrophobicContact CD1-CG 4.22Å; L120-L124 HydrophobicContact CG-CD1 4.22Å; L120-L124 HydrophobicContact CG-CG 4.41Å; L120-L124 WeakPolarHBondContact O-CG 3.27Å; L120-L124 PolarHBondContact O-N 3.44Å; E121-L124 PolarHBondContact O-N 3.19Å; R122-L124 VanDerWaalsContact C-N 3.34Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.46Å; L124-L127 PolarHBondContact O-N 2.89Å; L124-K128 WeakPolarHBondContact O-CA 3.43Å; L124-K128 PolarHBondContact O-N 3Å; L124-M129 WeakPolarHBondContact CB-O 3.09Å; L124-M129 PolarHBondContact O-N 3.41Å; L124-M129 VanDerWaalsContact O-N 3.07Å; L124-Y131 VanDerWaalsContact CD2-C 3.45Å; L124-V132 HydrophobicContact CD2-CG1 3.77Å; L124-L180 HydrophobicContact CD1-CB 4.04Å; L124-L180 HydrophobicContact CD1-CD2 3.92Å; L124-L180 HydrophobicContact CD1-CG 4.45Å
125	E	98.9	Very high	98.8	Very high	155 Å²	155	49.3 Å²	49.3	72%	0.724	23%	0.232	S	C	*	.	H	α-helix	trans	-60.5	-44.9	174.4	-176.5	-179.2	-172.7	0	0	111.2	E121 L127 K128	E121-E125 WeakPolarHBondContact O-CB 3.46Å; E121-E125 PolarHBondContact O-N 3.28Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 2.93Å; E125-K128 PolarHBondContact O-N 3Å; E125-K128 VanDerWaalsContact O-N 3.16Å
126	T	98.8	Very high	98.9	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.288	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-41.3	179.2	-60.1	0	0	0	0	111.8	E79 H80 R122 T123 L124 K128	E79-T126 HydrophobicContact CB-CG2 3.88Å; H80-T126 HydrophobicContact CB-CG2 3.79Å; R122-T126 VanDerWaalsContact O-CB 3.31Å; R122-T126 WeakPolarHBondContact O-CB 3.39Å; R122-T126 PolarHBondContact O-N 3.41Å; R122-T126 PolarHBondContact O-OG1 2.86Å; T123-T126 WeakPolarHBondContact O-CB 3.44Å; T123-T126 PolarHBondContact O-N 3.33Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.46Å; T126-K128 VanDerWaalsContact C-N 3.31Å
127	L	98.8	Very high	98.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-76.3	-19.6	177.2	-69	166.4	0	0	0	112.9	E79 G83 N87 Y102 T123 L124 E125 M129 V132	E79-L127 HydrophobicContact CB-CD2 4.3Å; E79-L127 WeakPolarHBondContact O-CD2 3.24Å; G83-L127 WeakPolarHBondContact CA-O 3.44Å; N87-L127 PolarHBondContact ND2-O 2.73Å; Y102-L127 HydrophobicContact CD1-CD1 3.78Å; Y102-L127 HydrophobicContact CE1-CD1 3.33Å; Y102-L127 HydrophobicContact CE1-CD2 4.24Å; Y102-L127 HydrophobicContact CE1-CG 4.41Å; Y102-L127 HydrophobicContact CE2-CD2 4.07Å; T123-L127 HydrophobicContact CG2-CD1 3.51Å; T123-L127 HydrophobicContact CG2-CG 4.27Å; T123-L127 WeakPolarHBondContact O-CB 3.48Å; T123-L127 VanDerWaalsContact O-CG 3.23Å; T123-L127 WeakPolarHBondContact O-CG 3.49Å; T123-L127 PolarHBondContact O-N 3.2Å; L124-L127 PolarHBondContact O-N 2.89Å; E125-L127 VanDerWaalsContact C-N 3.34Å; E125-L127 PolarHBondContact O-N 2.93Å; L127-M129 HydrophobicContact CB-CB 4.26Å; L127-M129 HydrophobicContact CB-CG 3.97Å; L127-M129 HydrophobicContact CB-SD 4.19Å; L127-V132 HydrophobicContact CD1-CG1 3.95Å
128	K	98.8	Very high	98.9	Very high	170 Å²	170	41.7 Å²	41.7	74%	0.739	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	52.1	-167.3	-54.6	178.9	-179	179.1	0	111.6	L124 E125 T126	L124-K128 WeakPolarHBondContact O-CA 3.43Å; L124-K128 PolarHBondContact O-N 3Å; E125-K128 PolarHBondContact O-N 3Å; E125-K128 VanDerWaalsContact O-N 3.16Å; T126-K128 VanDerWaalsContact C-N 3.31Å
129	M	98.6	Very high	98.9	Very high	15 Å²	15	39 Å²	39	7%	0.074	18%	0.183	C	C	.	.			trans	-131.6	150.9	179.5	-64.9	-176.7	-175	0	0	110.8	I86 L124 L127	I86-M129 HydrophobicContact CB-CE 3.63Å; I86-M129 HydrophobicContact CD1-CE 3.79Å; I86-M129 HydrophobicContact CG1-CE 4.31Å; I86-M129 HydrophobicContact CG2-CE 3.41Å; I86-M129 VanDerWaalsContact CG2-CE 3.41Å; L124-M129 WeakPolarHBondContact CB-O 3.09Å; L124-M129 PolarHBondContact O-N 3.41Å; L124-M129 VanDerWaalsContact O-N 3.07Å; L127-M129 HydrophobicContact CB-CB 4.26Å; L127-M129 HydrophobicContact CB-CG 3.97Å; L127-M129 HydrophobicContact CB-SD 4.19Å
130	D	98.8	Very high	98.8	Very high	146 Å²	146	38.8 Å²	38.8	78%	0.781	18%	0.182	S	C	*	.	S	Bend	trans	-78.7	-24.1	178.3	-57.6	-45.5	0	0	0	113
131	Y	98.9	Very high	98.8	Very high	39 Å²	39	38.8 Å²	38.8	15%	0.153	18%	0.182	C	C	.	.			trans	-154	159.9	179.4	71.6	-89.9	0	0	0	112.4	R97 L124 D133 L180 K182	R97-Y131 HydrophobicContact CG-CE1 4.1Å; R97-Y131 VanDerWaalsContact NH2-CE2 3.29Å; R97-Y131 PolarHBondContact NH2-O 2.9Å; L124-Y131 VanDerWaalsContact CD2-C 3.45Å; Y131-D133 WeakPolarHBondContact CE2-OD1 3.28Å; Y131-L180 VanDerWaalsContact CA-O 3.24Å; Y131-L180 WeakPolarHBondContact CA-O 3.43Å; Y131-L180 WeakPolarHBondContact CB-O 3.27Å; Y131-K182 HydrophobicContact CD2-CD 4.14Å; Y131-K182 HydrophobicContact CD2-CG 3.64Å; Y131-K182 HydrophobicContact CE2-CD 4.27Å; Y131-K182 VanDerWaalsContact CE2-CE 3.47Å; Y131-K182 HydrophobicContact CE2-CG 3.74Å
132	V	98.9	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.2	164.3	-60.1	0	0	0	0	111	Y102 L120 T123 L124 L127 Y135 L180 V181 K182	Y102-V132 HydrophobicContact CD1-CB 4.03Å; Y102-V132 HydrophobicContact CD1-CG1 3.61Å; Y102-V132 HydrophobicContact CE1-CG1 3.96Å; L120-V132 HydrophobicContact CD1-CG2 3.83Å; T123-V132 HydrophobicContact CG2-CG1 4.44Å; L124-V132 HydrophobicContact CD2-CG1 3.77Å; L127-V132 HydrophobicContact CD1-CG1 3.95Å; V132-Y135 HydrophobicContact CG2-CD2 4.15Å; V132-Y135 HydrophobicContact CG2-CG 4.36Å; V132-L180 PolarHBondContact N-O 3.08Å; V132-L180 VanDerWaalsContact N-O 3.13Å; V132-V181 HydrophobicContact CG2-CB 3.93Å; V132-V181 HydrophobicContact CG2-CG2 3.88Å; V132-V181 CarbonylContact O-C 3.53Å; V132-V181 VanDerWaalsContact O-CA 3.26Å; V132-V181 WeakPolarHBondContact O-CA 3.42Å; V132-K182 PolarHBondContact O-N 3.43Å
133	D	98.9	Very high	98.8	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.091	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-33.2	-176	-58	-88.1	0	0	0	111.5	R97 I100 F101 Y102 Y131 K182 S183	R97-D133 IonicContact CZ-OD2 3.16Å; R97-D133 VanDerWaalsContact CZ-OD2 3.32Å; R97-D133 IonicContact NH1-OD1 3.39Å; R97-D133 PolarHBondContact NH1-OD1 2.82Å; R97-D133 IonicContact NH1-OD2 2.74Å; R97-D133 PolarHBondContact NH1-OD2 3.16Å; R97-D133 IonicContact NH2-OD1 3.14Å; R97-D133 IonicContact NH2-OD2 2.88Å; R97-D133 PolarHBondContact NH2-OD2 2.88Å; I100-D133 VanDerWaalsContact O-OD2 3.1Å; F101-D133 WeakPolarHBondContact CA-OD2 3.41Å; F101-D133 HydrophobicContact CB-CB 4.34Å; F101-D133 HydrophobicContact CD1-CB 4.11Å; F101-D133 HydrophobicContact CD2-CB 3.64Å; F101-D133 HydrophobicContact CE1-CB 4.35Å; F101-D133 HydrophobicContact CE2-CB 3.9Å; F101-D133 HydrophobicContact CG-CB 3.76Å; F101-D133 HydrophobicContact CZ-CB 4.27Å; Y102-D133 PolarHBondContact N-OD2 3.44Å; Y102-D133 PolarHBondContact O-N 3.41Å; Y131-D133 WeakPolarHBondContact CE2-OD1 3.28Å; D133-K182 WeakPolarHBondContact O-CB 3.34Å; D133-S183 VanDerWaalsContact O-CB 3.32Å; D133-S183 WeakPolarHBondContact O-CB 3.39Å; D133-S183 PolarHBondContact O-N 3.03Å; D133-S183 PolarHBondContact O-OG 3.46Å
134	L	99	Very high	98.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.7	174.4	177.4	63.6	0	0	0	109.9	F101 Y102 C103 G104 I136 S183 V208	F101-L134 HydrophobicContact CE1-CB 3.61Å; F101-L134 HydrophobicContact CE1-CD2 4.07Å; F101-L134 HydrophobicContact CE1-CG 4.5Å; F101-L134 HydrophobicContact CZ-CB 3.53Å; F101-L134 HydrophobicContact CZ-CD2 4.1Å; F101-L134 HydrophobicContact CZ-CG 4.4Å; Y102-L134 PolarHBondContact O-N 3.04Å; Y102-L134 VanDerWaalsContact O-N 3.1Å; C103-L134 WeakPolarHBondContact CA-O 3.44Å; C103-L134 HydrophobicContact CB-CB 4.24Å; C103-L134 HydrophobicContact CB-CD2 4.23Å; C103-L134 HydrophobicContact CB-CG 4.49Å; G104-L134 PolarHBondContact N-O 3.4Å; L134-I136 HydrophobicContact CD1-CG2 3.74Å; L134-I136 HydrophobicContact CD2-CG2 3.91Å; L134-I136 HydrophobicContact CG-CG2 3.62Å; L134-S183 WeakPolarHBondContact CA-O 3.38Å; L134-S183 WeakPolarHBondContact CD1-O 3.33Å; L134-V208 HydrophobicContact CD1-CG2 4.31Å
135	Y	98.9	Very high	98.7	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.6	168.6	-156.8	-123.3	0	0	0	109.4	G104 K105 L106 L120 V132 L172 S183 G185	G104-Y135 WeakPolarHBondContact O-CA 3.01Å; G104-Y135 WeakPolarHBondContact O-CD2 3.45Å; K105-Y135 PolarHBondContact O-OH 3.19Å; L106-Y135 HydrophobicContact CB-CE1 3.8Å; L106-Y135 HydrophobicContact CD1-CE1 4.2Å; L120-Y135 HydrophobicContact CB-CD1 4.34Å; L120-Y135 HydrophobicContact CB-CE1 3.84Å; L120-Y135 HydrophobicContact CD1-CD1 4.06Å; L120-Y135 HydrophobicContact CD1-CD2 3.74Å; L120-Y135 HydrophobicContact CD1-CE1 4.12Å; L120-Y135 HydrophobicContact CD1-CE2 3.8Å; L120-Y135 HydrophobicContact CD1-CG 3.89Å; L120-Y135 HydrophobicContact CD2-CD1 4.33Å; L120-Y135 HydrophobicContact CG-CD1 4.48Å; L120-Y135 HydrophobicContact CG-CE1 4.4Å; V132-Y135 HydrophobicContact CG2-CD2 4.15Å; V132-Y135 HydrophobicContact CG2-CG 4.36Å; Y135-L172 HydrophobicContact CD1-CD2 3.61Å; Y135-L172 HydrophobicContact CE1-CD2 4.11Å; Y135-S183 PolarHBondContact N-O 3.19Å; Y135-S183 VanDerWaalsContact N-O 3.11Å; Y135-G185 PolarHBondContact O-N 3.28Å; Y135-G185 VanDerWaalsContact O-N 3.14Å
136	I	99	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.2	-173	69.6	-172.7	0	0	0	112.7	G104 K105 L106 L134 E138 G185 Q211	G104-I136 PolarHBondContact O-N 2.95Å; G104-I136 VanDerWaalsContact O-N 3.13Å; K105-I136 CarbonylContact C-O 3.55Å; K105-I136 WeakPolarHBondContact CA-O 3.39Å; K105-I136 HydrophobicContact CB-CG1 4.14Å; K105-I136 HydrophobicContact CD-CD1 4.02Å; K105-I136 HydrophobicContact CD-CG1 4.23Å; K105-I136 HydrophobicContact CG-CD1 3.99Å; K105-I136 HydrophobicContact CG-CG1 3.77Å; L106-I136 PolarHBondContact N-O 2.79Å; L134-I136 HydrophobicContact CD1-CG2 3.74Å; L134-I136 HydrophobicContact CD2-CG2 3.91Å; L134-I136 HydrophobicContact CG-CG2 3.62Å; I136-E138 PolarHBondContact O-N 2.98Å; I136-G185 WeakPolarHBondContact CA-O 3.19Å; I136-G185 WeakPolarHBondContact CB-O 3.48Å; I136-G185 VanDerWaalsContact CG2-C 3.49Å; I136-Q211 HydrophobicContact CD1-CB 3.98Å
137	V	98.9	Very high	98.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	119.2	163.4	-177.6	0	0	0	0	108.1	L139 T168 L172 G185 V186 S187 F189	V137-L139 VanDerWaalsContact CG1-O 3.27Å; V137-L139 WeakPolarHBondContact CG1-O 3.36Å; V137-T168 HydrophobicContact CG2-CG2 4.43Å; V137-L172 HydrophobicContact CG2-CD1 3.47Å; V137-L172 VanDerWaalsContact CG2-CD1 3.47Å; V137-G185 PolarHBondContact N-O 2.99Å; V137-V186 HydrophobicContact CB-CG1 4.38Å; V137-V186 HydrophobicContact CG2-CG1 4.45Å; V137-V186 CarbonylContact O-C 3.48Å; V137-S187 WeakPolarHBondContact O-CB 3.28Å; V137-S187 PolarHBondContact O-N 3Å; V137-F189 HydrophobicContact CB-CE2 3.95Å; V137-F189 HydrophobicContact CB-CZ 4.03Å; V137-F189 HydrophobicContact CG1-CE2 3.75Å; V137-F189 HydrophobicContact CG1-CZ 3.88Å; V137-F189 HydrophobicContact CG2-CZ 4.46Å
138	E	98.9	Very high	98.2	Very high	13 Å²	13	43 Å²	43	6%	0.061	22%	0.221	C	C	.	.	S	Bend	trans	-69.1	-42.4	-169.9	-168.7	154	-176.5	0	0	113.1	K105 L106 W107 I136 S187 N188	K105-E138 HydrophobicContact CB-CB 3.86Å; K105-E138 HydrophobicContact CB-CG 4.02Å; K105-E138 WeakPolarHBondContact CB-OE2 3.47Å; K105-E138 HydrophobicContact CD-CB 4.4Å; K105-E138 HydrophobicContact CD-CG 3.76Å; L106-E138 VanDerWaalsContact O-CB 3.25Å; L106-E138 WeakPolarHBondContact O-CB 3.22Å; L106-E138 PolarHBondContact O-N 2.92Å; W107-E138 HydrophobicContact CE3-CB 4.19Å; W107-E138 VanDerWaalsContact CE3-CD 3.45Å; W107-E138 HydrophobicContact CE3-CG 3.93Å; W107-E138 VanDerWaalsContact CE3-OE2 3.26Å; W107-E138 HydrophobicContact CZ3-CG 4.06Å; I136-E138 PolarHBondContact O-N 2.98Å; E138-S187 CarbonylContact O-C 3.56Å; E138-S187 WeakPolarHBondContact O-CB 3.44Å; E138-S187 VanDerWaalsContact O-O 3.13Å; E138-S187 PolarHBondContact O-OG 3.14Å; E138-N188 PolarHBondContact O-ND2 2.96Å
139	L	98.8	Very high	98.1	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.19	C	C	.	.			trans	-142.6	154.3	171	-66	145.1	0	0	0	109.1	W107 N108 H111 V137 L141 N188 L329 W332	W107-L139 HydrophobicContact CH2-CD1 3.97Å; W107-L139 HydrophobicContact CZ3-CD1 3.82Å; N108-L139 VanDerWaalsContact ND2-CD1 3.32Å; N108-L139 WeakPolarHBondContact ND2-CD1 3.26Å; N108-L139 WeakPolarHBondContact OD1-CB 2.92Å; H111-L139 PolarHBondContact CE1-O 3.32Å; H111-L139 PolarHBondContact NE2-O 3.39Å; V137-L139 VanDerWaalsContact CG1-O 3.27Å; V137-L139 WeakPolarHBondContact CG1-O 3.36Å; L139-L141 HydrophobicContact CB-CD1 3.61Å; L139-L141 HydrophobicContact CB-CG 4.31Å; L139-L141 HydrophobicContact CD1-CD1 4.04Å; L139-L141 HydrophobicContact CD2-CD1 3.89Å; L139-L141 HydrophobicContact CG-CD1 4.06Å; L139-L141 PolarHBondContact O-N 3.23Å; L139-N188 HydrophobicContact CD2-CB 3.66Å; L139-N188 VanDerWaalsContact CD2-ND2 3.3Å; L139-N188 WeakPolarHBondContact CD2-ND2 3.26Å; L139-L329 HydrophobicContact CD2-CD1 3.37Å; L139-W332 HydrophobicContact CD1-CE3 4.26Å; L139-W332 HydrophobicContact CD1-CH2 4.27Å; L139-W332 HydrophobicContact CD1-CZ3 3.57Å
140	P	98.5	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-75.7	15.8	176.8	31.5	-35.5	0	0	0	113.8	T163 L165 F189 Q193 E337 P339	P140-T163 WeakPolarHBondContact O-CG2 3.32Å; P140-L165 HydrophobicContact CB-CD1 4.21Å; P140-L165 HydrophobicContact CB-CD2 4.23Å; P140-F189 HydrophobicContact CB-CD2 3.84Å; P140-F189 HydrophobicContact CB-CE2 3.6Å; P140-F189 HydrophobicContact CB-CG 4.46Å; P140-F189 HydrophobicContact CB-CZ 3.98Å; P140-F189 HydrophobicContact CG-CD2 4.12Å; P140-F189 HydrophobicContact CG-CE2 4.28Å; P140-Q193 HydrophobicContact CB-CG 4.43Å; P140-Q193 VanDerWaalsContact CB-NE2 3.34Å; P140-Q193 VanDerWaalsContact CG-NE2 3.34Å; P140-E337 WeakPolarHBondContact O-CB 3.38Å; P140-P339 HydrophobicContact CG-CB 3.95Å; P140-P339 HydrophobicContact CG-CG 4.03Å
141	L	98.1	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.			trans	-106.8	121.5	-173.4	-43.7	131.9	0	0	0	109.5	N108 H111 L139 F143 W332 H335	N108-L141 WeakPolarHBondContact CB-O 3.34Å; H111-L141 PolarHBondContact CE1-O 3.22Å; L139-L141 HydrophobicContact CB-CD1 3.61Å; L139-L141 HydrophobicContact CB-CG 4.31Å; L139-L141 HydrophobicContact CD1-CD1 4.04Å; L139-L141 HydrophobicContact CD2-CD1 3.89Å; L139-L141 HydrophobicContact CG-CD1 4.06Å; L139-L141 PolarHBondContact O-N 3.23Å; L141-F143 HydrophobicContact CB-CE1 4.01Å; L141-W332 HydrophobicContact CD1-CE3 3.95Å; L141-W332 HydrophobicContact CD2-CB 4.38Å; L141-H335 HydrophobicContact CD2-CB 3.41Å; L141-H335 VanDerWaalsContact CD2-CB 3.41Å; L141-H335 WeakPolarHBondContact CD2-ND1 3.26Å
142	A	98.4	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-88.2	127.3	173.6	0	0	0	0	0	111.2	H111 H161 T163 H335	H111-A142 HydrophobicContact CB-CB 3.87Å; A142-H161 HydrophobicContact CB-CB 4.06Å; A142-H161 PolarHBondContact O-N 2.79Å; A142-T163 HydrophobicContact CB-CG2 4.33Å; A142-T163 WeakPolarHBondContact CB-OG1 3.43Å; A142-T163 PolarHBondContact N-OG1 3.12Å; A142-T163 VanDerWaalsContact N-OG1 3.15Å; A142-H335 PolarHBondContact N-NE2 3.01Å; A142-H335 PolarHBondContact O-NE2 3.4Å
143	F	98.6	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-102.9	160.4	173.1	-67.8	-6.8	0	0	0	110.8	W107 N108 T109 L141 P145 P151 Y160 H161 W332	W107-F143 HydrophobicContact CZ2-CE2 4.26Å; N108-F143 HydrophobicContact CB-CB 4.06Å; N108-F143 HydrophobicContact CB-CD1 4.19Å; N108-F143 HydrophobicContact CB-CD2 3.62Å; N108-F143 HydrophobicContact CB-CE2 4.03Å; N108-F143 HydrophobicContact CB-CG 3.69Å; N108-F143 HydrophobicContact CB-CZ 4.46Å; N108-F143 WeakPolarHBondContact ND2-CE2 3.38Å; N108-F143 WeakPolarHBondContact ND2-CZ 3.41Å; N108-F143 PolarHBondContact O-N 3.16Å; T109-F143 HydrophobicContact CG2-CB 3.76Å; L141-F143 HydrophobicContact CB-CE1 4.01Å; F143-P145 VanDerWaalsContact O-CD 3.31Å; F143-P145 WeakPolarHBondContact O-CD 3.48Å; F143-P151 HydrophobicContact CB-CG 3.93Å; F143-Y160 AromaticContact CD1-CD1 3.69Å; F143-Y160 HydrophobicContact CD1-CD1 3.69Å; F143-Y160 HydrophobicContact CD1-CE1 4.11Å; F143-Y160 AromaticContact CE1-CD1 3.76Å; F143-Y160 HydrophobicContact CE1-CD1 3.76Å; F143-Y160 AromaticContact CE1-CE1 3.7Å; F143-Y160 HydrophobicContact CE1-CE1 3.7Å; F143-Y160 HydrophobicContact CZ-CE1 4.49Å; F143-H161 WeakPolarHBondContact O-CB 3.29Å; F143-W332 HydrophobicContact CE1-CG 4.5Å; F143-W332 AromaticContact CE2-CE2 3.88Å; F143-W332 AromaticContact CE2-CZ2 3.92Å; F143-W332 HydrophobicContact CE2-CZ2 3.92Å; F143-W332 AromaticContact CE2-NE1 3.98Å; F143-W332 AromaticContact CZ-CD1 3.79Å; F143-W332 AromaticContact CZ-CD2 3.7Å; F143-W332 HydrophobicContact CZ-CD2 3.7Å; F143-W332 AromaticContact CZ-CE2 3.47Å; F143-W332 VanDerWaalsContact CZ-CE2 3.47Å; F143-W332 HydrophobicContact CZ-CE3 4.31Å; F143-W332 AromaticContact CZ-CG 3.94Å; F143-W332 HydrophobicContact CZ-CG 3.94Å; F143-W332 AromaticContact CZ-CZ2 3.95Å; F143-W332 HydrophobicContact CZ-CZ2 3.95Å; F143-W332 AromaticContact CZ-NE1 3.5Å
144	K	98.4	Very high	97.7	Very high	110 Å²	110	49.4 Å²	49.4	48%	0.478	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-52.8	122.5	175.6	177.9	177	172.4	-174.7	0	110	P151 I159	K144-P151 HydrophobicContact CB-CB 4.35Å; K144-P151 HydrophobicContact CB-CG 4.16Å; K144-I159 HydrophobicContact CB-CB 4.04Å; K144-I159 HydrophobicContact CB-CG2 3.78Å; K144-I159 HydrophobicContact CD-CB 4.37Å; K144-I159 HydrophobicContact CD-CD1 4.32Å; K144-I159 HydrophobicContact CD-CG2 3.79Å; K144-I159 HydrophobicContact CG-CG2 4.36Å; K144-I159 PolarHBondContact N-O 2.91Å
145	P	98.1	Very high	97.6	Very high	42 Å²	42	55.6 Å²	55.6	27%	0.273	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-60	143.9	176	-25.2	35	0	0	0	112.4	T109 P112 L115 F143	T109-P145 WeakPolarHBondContact O-CA 3.32Å; P112-P145 HydrophobicContact CG-CG 3.53Å; L115-P145 HydrophobicContact CD1-CB 3.75Å; L115-P145 HydrophobicContact CD1-CG 4.19Å; F143-P145 VanDerWaalsContact O-CD 3.31Å; F143-P145 WeakPolarHBondContact O-CD 3.48Å
146	G	95.4	Very high	97.4	Very high	41 Å²	41	57.4 Å²	57.4	42%	0.423	29%	0.294	S	S	.	.	S	Bend	trans	160.8	-170.4	179.1	0	0	0	0	0	113	E148	G146-E148 VanDerWaalsContact C-N 3.35Å
147	N	93	Very high	97.2	Very high	161 Å²	161	63.1 Å²	63.1	86%	0.861	32%	0.319	S	S	*	.	S	Bend	trans	-77.9	-20.6	-179.8	-66.3	-23	0	0	0	113.3
148	E	96.3	Very high	97.2	Very high	137 Å²	137	64.5 Å²	64.5	64%	0.64	32%	0.324	S	S	*	.			trans	-88.4	119.1	179.2	-64.7	-58.8	146	0	0	110.1	T109 G146 Y150	T109-E148 WeakPolarHBondContact CG2-O 3.22Å; G146-E148 VanDerWaalsContact C-N 3.35Å; E148-Y150 VanDerWaalsContact C-N 3.26Å; E148-Y150 PolarHBondContact O-N 3.09Å
149	F	96.9	Very high	97.2	Very high	20 Å²	20	66.4 Å²	66.4	9%	0.088	33%	0.334	C	S	.	.	S	Bend	trans	-68.3	-26	177.5	-65	-55.7	0	0	0	113.1	L74 V75 F77 W107 F110 P151	L74-F149 HydrophobicContact CD1-CZ 4.47Å; L74-F149 HydrophobicContact CD2-CE1 3.66Å; L74-F149 HydrophobicContact CD2-CZ 3.92Å; L74-F149 HydrophobicContact CG-CE1 4.04Å; L74-F149 HydrophobicContact CG-CZ 3.85Å; V75-F149 HydrophobicContact CG1-CB 4.09Å; V75-F149 HydrophobicContact CG1-CD1 3.8Å; V75-F149 HydrophobicContact CG1-CD2 4.12Å; V75-F149 HydrophobicContact CG1-CE1 4.18Å; V75-F149 HydrophobicContact CG1-CE2 4.47Å; V75-F149 HydrophobicContact CG1-CG 3.75Å; V75-F149 HydrophobicContact CG1-CZ 4.49Å; F77-F149 HydrophobicContact CD1-CE2 4.48Å; F77-F149 AromaticContact CE1-CD2 3.9Å; F77-F149 HydrophobicContact CE1-CD2 3.9Å; F77-F149 AromaticContact CE1-CE2 3.56Å; F77-F149 HydrophobicContact CE1-CE2 3.56Å; F77-F149 AromaticContact CZ-CD2 3.61Å; F77-F149 HydrophobicContact CZ-CD2 3.61Å; F77-F149 AromaticContact CZ-CE2 3.75Å; F77-F149 HydrophobicContact CZ-CE2 3.75Å; W107-F149 AromaticContact CD1-CD1 3.64Å; W107-F149 HydrophobicContact CG-CD1 4.39Å; W107-F149 PolarHBondContact NE1-O 2.96Å; F110-F149 HydrophobicContact CE2-CD1 4.12Å; F110-F149 AromaticContact CE2-CE1 3.77Å; F110-F149 HydrophobicContact CE2-CE1 3.77Å; F110-F149 HydrophobicContact CZ-CE1 4.18Å; F149-P151 VanDerWaalsContact C-CD 3.47Å; F149-P151 WeakPolarHBondContact O-CD 3.49Å
150	Y	97.1	Very high	97.1	Very high	97 Å²	97	68.5 Å²	68.5	38%	0.38	34%	0.342	S	S	.	.	S	Bend	trans	-122.7	67.2	-179.6	-57.5	-75.8	0	0	0	110	W107 E148 R152 W332	W107-Y150 AromaticContact CH2-CE1 3.65Å; W107-Y150 HydrophobicContact CH2-CE1 3.65Å; W107-Y150 AromaticContact CZ2-CD1 3.83Å; W107-Y150 HydrophobicContact CZ2-CD1 3.83Å; W107-Y150 AromaticContact CZ2-CE1 3.22Å; W107-Y150 HydrophobicContact CZ2-CE1 3.22Å; W107-Y150 AromaticContact CZ2-CZ 3.77Å; E148-Y150 VanDerWaalsContact C-N 3.26Å; E148-Y150 PolarHBondContact O-N 3.09Å; Y150-R152 PolarHBondContact O-N 2.82Å; Y150-W332 AromaticContact CD1-CZ2 3.94Å; Y150-W332 HydrophobicContact CD1-CZ2 3.94Å; Y150-W332 HydrophobicContact CE1-CH2 4.11Å; Y150-W332 AromaticContact CE1-CZ2 3.92Å; Y150-W332 HydrophobicContact CE1-CZ2 3.92Å
151	P	98.1	Very high	97.1	Very high	12 Å²	12	72.5 Å²	72.5	8%	0.078	36%	0.361	C	S	.	.			trans	-64.9	127.9	-172.7	28.5	-34.9	0	0	0	110.5	T109 F143 K144 F149 Y158 I159	T109-P151 HydrophobicContact CG2-CG 4.34Å; F143-P151 HydrophobicContact CB-CG 3.93Å; K144-P151 HydrophobicContact CB-CB 4.35Å; K144-P151 HydrophobicContact CB-CG 4.16Å; F149-P151 VanDerWaalsContact C-CD 3.47Å; F149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-Y158 WeakPolarHBondContact O-CA 3.25Å; P151-I159 HydrophobicContact CB-CB 4.39Å; P151-I159 PolarHBondContact O-N 3.44Å
152	R	97.8	Very high	97	Very high	141 Å²	141	79.6 Å²	79.6	53%	0.532	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-128.6	149	176.8	-66.2	177.6	-176.1	-179.9	3.7	110.7	Y150 G156 K157 Y158	Y150-R152 PolarHBondContact O-N 2.82Å; R152-G156 WeakPolarHBondContact CD-O 3.34Å; R152-K157 CarbonylContact C-O 3.48Å; R152-K157 WeakPolarHBondContact CA-O 3.31Å; R152-Y158 HydrophobicContact CG-CD1 3.94Å; R152-Y158 HydrophobicContact CG-CE1 4.17Å; R152-Y158 HydrophobicContact CG-CG 4.43Å; R152-Y158 PolarHBondContact NH2-OH 3.09Å
153	D	96.6	Very high	96.9	Very high	63 Å²	63	80.7 Å²	80.7	34%	0.337	40%	0.4	S	S	.	.			trans	-78.3	-179.7	170.7	71.5	12.1	0	0	0	111.7	N155 G156 K157 I159	D153-N155 PolarHBondContact O-N 2.75Å; D153-N155 WeakPolarHBondContact OD1-CA 3.33Å; D153-N155 WeakPolarHBondContact OD1-CB 3.49Å; D153-N155 PolarHBondContact OD1-N 2.86Å; D153-G156 PolarHBondContact O-N 3.44Å; D153-G156 PolarHBondContact OD1-N 3.09Å; D153-G156 VanDerWaalsContact OD1-N 3.09Å; D153-K157 PolarHBondContact N-O 3.4Å; D153-K157 WeakPolarHBondContact OD1-CB 3.24Å; D153-K157 PolarHBondContact OD1-N 3.36Å; D153-I159 HydrophobicContact CB-CD1 4.25Å; D153-I159 HydrophobicContact CB-CG1 4.23Å
154	E	96.9	Very high	96.9	Very high	189 Å²	189	84.4 Å²	84.4	88%	0.883	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.4	179	62.9	-175	178.5	0	0	114	G156	E154-G156 VanDerWaalsContact C-N 3.35Å
155	N	96.3	Very high	96.9	Very high	132 Å²	132	79.5 Å²	79.5	71%	0.706	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	3.6	177.5	-59.1	-57.2	0	0	0	112.3	D153 K157	D153-N155 PolarHBondContact O-N 2.75Å; D153-N155 WeakPolarHBondContact OD1-CA 3.33Å; D153-N155 WeakPolarHBondContact OD1-CB 3.49Å; D153-N155 PolarHBondContact OD1-N 2.86Å; N155-K157 VanDerWaalsContact C-N 3.3Å; N155-K157 PolarHBondContact O-N 2.69Å
156	G	95.1	Very high	96.9	Very high	38 Å²	38	78.6 Å²	78.6	39%	0.392	39%	0.394	S	S	.	.	S	Bend	trans	78.4	8.9	-178.4	0	0	0	0	0	114.4	R152 D153 E154	R152-G156 WeakPolarHBondContact CD-O 3.34Å; D153-G156 PolarHBondContact O-N 3.44Å; D153-G156 PolarHBondContact OD1-N 3.09Å; D153-G156 VanDerWaalsContact OD1-N 3.09Å; E154-G156 VanDerWaalsContact C-N 3.35Å
157	K	96.1	Very high	97.1	Very high	120 Å²	120	77.7 Å²	77.7	52%	0.522	38%	0.382	S	S	.	.			trans	-78.1	136.9	176.2	-173.4	-179.4	178.3	177.4	0	110	R152 D153 N155	R152-K157 CarbonylContact C-O 3.48Å; R152-K157 WeakPolarHBondContact CA-O 3.31Å; D153-K157 PolarHBondContact N-O 3.4Å; D153-K157 WeakPolarHBondContact OD1-CB 3.24Å; D153-K157 PolarHBondContact OD1-N 3.36Å; N155-K157 VanDerWaalsContact C-N 3.3Å; N155-K157 PolarHBondContact O-N 2.69Å
158	Y	97.9	Very high	97.3	Very high	32 Å²	32	70.1 Å²	70.1	13%	0.125	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-62.9	139.2	175.3	-69.4	-80.1	0	0	0	111.8	P151 R152 Y160 M331 W332	P151-Y158 WeakPolarHBondContact O-CA 3.25Å; R152-Y158 HydrophobicContact CG-CD1 3.94Å; R152-Y158 HydrophobicContact CG-CE1 4.17Å; R152-Y158 HydrophobicContact CG-CG 4.43Å; R152-Y158 PolarHBondContact NH2-OH 3.09Å; Y158-Y160 VanDerWaalsContact CB-CE1 3.41Å; Y158-Y160 HydrophobicContact CG-CE1 4.36Å; Y158-M331 WeakPolarHBondContact CD2-O 3.34Å; Y158-M331 HydrophobicContact CE2-CB 3.9Å; Y158-M331 HydrophobicContact CE2-CG 3.77Å; Y158-M331 WeakPolarHBondContact CE2-O 3.49Å; Y158-W332 AromaticContact CD1-NE1 3.51Å; Y158-W332 AromaticContact CD2-CD1 3.52Å; Y158-W332 AromaticContact CD2-NE1 3.59Å; Y158-W332 AromaticContact CE1-NE1 3.29Å; Y158-W332 VanDerWaalsContact CE1-NE1 3.29Å; Y158-W332 AromaticContact CE2-CD1 3.64Å; Y158-W332 AromaticContact CE2-NE1 3.38Å; Y158-W332 AromaticContact CG-CD1 3.77Å; Y158-W332 AromaticContact CG-NE1 3.64Å; Y158-W332 AromaticContact CZ-CD1 3.96Å; Y158-W332 AromaticContact CZ-NE1 3.2Å
159	I	98.3	Very high	97.5	Very high	53 Å²	53	63.7 Å²	63.7	27%	0.272	31%	0.312	S	S	.	.			trans	-98.5	106.6	178.4	-47.7	174.8	0	0	0	108.9	K144 P151 D153	K144-I159 HydrophobicContact CB-CB 4.04Å; K144-I159 HydrophobicContact CB-CG2 3.78Å; K144-I159 HydrophobicContact CD-CB 4.37Å; K144-I159 HydrophobicContact CD-CD1 4.32Å; K144-I159 HydrophobicContact CD-CG2 3.79Å; K144-I159 HydrophobicContact CG-CG2 4.36Å; K144-I159 PolarHBondContact N-O 2.91Å; P151-I159 HydrophobicContact CB-CB 4.39Å; P151-I159 PolarHBondContact O-N 3.44Å; D153-I159 HydrophobicContact CB-CD1 4.25Å; D153-I159 HydrophobicContact CB-CG1 4.23Å
160	Y	98.4	Very high	97.6	Very high	51 Å²	51	67.5 Å²	67.5	20%	0.2	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-84.3	163.6	179.2	-54.2	-33.9	0	0	0	112.4	F143 Y158 W332 D334 H335	F143-Y160 AromaticContact CD1-CD1 3.69Å; F143-Y160 HydrophobicContact CD1-CD1 3.69Å; F143-Y160 HydrophobicContact CD1-CE1 4.11Å; F143-Y160 AromaticContact CE1-CD1 3.76Å; F143-Y160 HydrophobicContact CE1-CD1 3.76Å; F143-Y160 AromaticContact CE1-CE1 3.7Å; F143-Y160 HydrophobicContact CE1-CE1 3.7Å; F143-Y160 HydrophobicContact CZ-CE1 4.49Å; Y158-Y160 VanDerWaalsContact CB-CE1 3.41Å; Y158-Y160 HydrophobicContact CG-CE1 4.36Å; Y160-W332 WeakPolarHBondContact OH-CA 3.31Å; Y160-D334 PolarHBondContact OH-OD1 3.04Å; Y160-H335 AromaticContact CD1-CD2 3.52Å; Y160-H335 HydrophobicContact CD2-CB 4.23Å; Y160-H335 AromaticContact CD2-CD2 3.7Å; Y160-H335 HydrophobicContact CE1-CB 4.39Å; Y160-H335 AromaticContact CE1-CD2 3.92Å; Y160-H335 HydrophobicContact CE2-CB 3.85Å; Y160-H335 AromaticContact CG-CD2 3.4Å
161	H	97.8	Very high	97.7	Very high	83 Å²	83	63.7 Å²	63.7	38%	0.384	32%	0.318	S	S	.	.			trans	-123.4	159.1	172.4	-169.4	-88.6	0	0	0	109.5	A142 F143 T163	A142-H161 HydrophobicContact CB-CB 4.06Å; A142-H161 PolarHBondContact O-N 2.79Å; F143-H161 WeakPolarHBondContact O-CB 3.29Å; H161-T163 PolarHBondContact O-N 3.17Å
162	H	96.3	Very high	97.7	Very high	149 Å²	149	63.1 Å²	63.1	69%	0.69	31%	0.314	S	S	*	.			trans	-58.4	132.5	170.3	179.1	64.2	0	0	0	109.9
163	T	95.6	Very high	97.8	Very high	23 Å²	23	56.9 Å²	56.9	14%	0.141	29%	0.291	C	S	.	.			trans	-103.6	118.1	179.6	-55	0	0	0	0	109.7	P140 A142 H161 L165 H335 E337	P140-T163 WeakPolarHBondContact O-CG2 3.32Å; A142-T163 HydrophobicContact CB-CG2 4.33Å; A142-T163 WeakPolarHBondContact CB-OG1 3.43Å; A142-T163 PolarHBondContact N-OG1 3.12Å; A142-T163 VanDerWaalsContact N-OG1 3.15Å; H161-T163 PolarHBondContact O-N 3.17Å; T163-L165 HydrophobicContact CG2-CD2 3.53Å; T163-L165 HydrophobicContact CG2-CG 3.78Å; T163-H335 PolarHBondContact OG1-CE1 3.31Å; T163-E337 HydrophobicContact CG2-CG 3.95Å
164	D	98.1	Very high	97.9	Very high	78 Å²	78	56.5 Å²	56.5	42%	0.417	30%	0.297	S	S	.	.			trans	-119.7	89.8	166.8	-174.3	-18.7	0	0	0	108.5	C166 A167 T168	D164-C166 PolarHBondContact O-N 3.12Å; D164-C166 PolarHBondContact OD1-N 3.05Å; D164-C166 VanDerWaalsContact OD1-N 3.17Å; D164-A167 HydrophobicContact CB-CB 3.97Å; D164-A167 VanDerWaalsContact CG-CB 3.43Å; D164-A167 PolarHBondContact O-N 3.5Å; D164-A167 PolarHBondContact OD1-N 2.93Å; D164-T168 PolarHBondContact O-N 3.19Å; D164-T168 PolarHBondContact O-OG1 3.24Å; D164-T168 VanDerWaalsContact O-OG1 3.12Å
165	L	98.7	Very high	98	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-31.9	-177.2	-63	177.9	0	0	0	112	P140 T163 W169 F189 Q193 L196 L197	P140-L165 HydrophobicContact CB-CD1 4.21Å; P140-L165 HydrophobicContact CB-CD2 4.23Å; T163-L165 HydrophobicContact CG2-CD2 3.53Å; T163-L165 HydrophobicContact CG2-CG 3.78Å; L165-W169 VanDerWaalsContact O-CB 3.26Å; L165-W169 WeakPolarHBondContact O-CB 3.26Å; L165-W169 PolarHBondContact O-N 3.29Å; L165-F189 HydrophobicContact CD1-CE1 3.92Å; L165-F189 HydrophobicContact CD1-CZ 4.23Å; L165-F189 HydrophobicContact CD2-CE1 4.39Å; L165-F189 HydrophobicContact CD2-CZ 3.93Å; L165-Q193 HydrophobicContact CD1-CB 4.13Å; L165-Q193 HydrophobicContact CD1-CG 4.02Å; L165-L196 HydrophobicContact CB-CD2 4.03Å; L165-L196 HydrophobicContact CD1-CD2 4.11Å; L165-L196 HydrophobicContact CG-CD2 4.48Å; L165-L197 HydrophobicContact CB-CD2 4.23Å
166	C	98.8	Very high	98.1	Very high	24 Å²	24	43 Å²	43	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-45	178.5	-74.3	0	0	0	0	110.9	D164 W169 E170 K200	D164-C166 PolarHBondContact O-N 3.12Å; D164-C166 PolarHBondContact OD1-N 3.05Å; D164-C166 VanDerWaalsContact OD1-N 3.17Å; C166-W169 WeakPolarHBondContact O-CB 3Å; C166-W169 PolarHBondContact O-N 2.97Å; C166-E170 WeakPolarHBondContact O-CG 3.38Å; C166-E170 PolarHBondContact O-N 3.29Å; C166-K200 HydrophobicContact CB-CD 3.95Å; C166-K200 HydrophobicContact CB-CG 4.13Å; C166-K200 WeakPolarHBondContact O-CE 3.4Å
167	A	98.8	Very high	98.3	Very high	21 Å²	21	45.1 Å²	45.1	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-41.4	177.2	0	0	0	0	0	112.1	P113 D164 W169 E170 A171	P113-A167 HydrophobicContact CG-CB 3.77Å; D164-A167 HydrophobicContact CB-CB 3.97Å; D164-A167 VanDerWaalsContact CG-CB 3.43Å; D164-A167 PolarHBondContact O-N 3.5Å; D164-A167 PolarHBondContact OD1-N 2.93Å; A167-W169 VanDerWaalsContact C-N 3.26Å; A167-W169 PolarHBondContact O-N 3.16Å; A167-E170 PolarHBondContact O-N 3.3Å; A167-A171 PolarHBondContact O-N 3.48Å
168	T	98.9	Very high	98.4	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-41.1	171.6	-55	0	0	0	0	110.9	L106 H111 V116 V137 D164 A171 L172	L106-T168 HydrophobicContact CD2-CG2 3.75Å; H111-T168 PolarHBondContact O-OG1 2.96Å; V116-T168 HydrophobicContact CG2-CG2 4.04Å; V137-T168 HydrophobicContact CG2-CG2 4.43Å; D164-T168 PolarHBondContact O-N 3.19Å; D164-T168 PolarHBondContact O-OG1 3.24Å; D164-T168 VanDerWaalsContact O-OG1 3.12Å; T168-A171 PolarHBondContact O-N 3.32Å; T168-L172 PolarHBondContact O-N 2.99Å; T168-L172 VanDerWaalsContact O-N 3.15Å
169	W	98.9	Very high	98.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-40.6	178.3	-165.8	-101.1	0	0	0	112.7	L165 C166 A167 A171 L172 E173 L184 G185 V186 L197 H205 P207	L165-W169 VanDerWaalsContact O-CB 3.26Å; L165-W169 WeakPolarHBondContact O-CB 3.26Å; L165-W169 PolarHBondContact O-N 3.29Å; C166-W169 WeakPolarHBondContact O-CB 3Å; C166-W169 PolarHBondContact O-N 2.97Å; A167-W169 VanDerWaalsContact C-N 3.26Å; A167-W169 PolarHBondContact O-N 3.16Å; W169-A171 VanDerWaalsContact C-N 3.27Å; W169-A171 PolarHBondContact O-N 3.39Å; W169-L172 HydrophobicContact CE3-CD1 3.82Å; W169-L172 HydrophobicContact CZ3-CD1 4.02Å; W169-L172 WeakPolarHBondContact O-CA 3.47Å; W169-L172 WeakPolarHBondContact O-CB 3.49Å; W169-L172 PolarHBondContact O-N 3.37Å; W169-E173 WeakPolarHBondContact O-CG 3.44Å; W169-E173 PolarHBondContact O-N 3.47Å; W169-L184 HydrophobicContact CH2-CB 3.64Å; W169-L184 HydrophobicContact CZ2-CB 3.88Å; W169-L184 HydrophobicContact CZ2-CD1 4.49Å; W169-L184 HydrophobicContact CZ3-CB 4.48Å; W169-G185 WeakPolarHBondContact CZ3-O 3.41Å; W169-V186 HydrophobicContact CE3-CG1 4.27Å; W169-V186 HydrophobicContact CH2-CG1 4.36Å; W169-V186 HydrophobicContact CZ3-CG1 3.65Å; W169-L197 HydrophobicContact CB-CD2 3.71Å; W169-L197 HydrophobicContact CD2-CD1 3.95Å; W169-L197 HydrophobicContact CD2-CD2 4.33Å; W169-L197 HydrophobicContact CE3-CD1 3.74Å; W169-L197 HydrophobicContact CG-CD1 4.4Å; W169-L197 HydrophobicContact CG-CD2 3.92Å; W169-L197 HydrophobicContact CZ3-CD1 4.2Å; W169-H205 WeakPolarHBondContact CZ2-O 3.36Å; W169-H205 PolarHBondContact NE1-O 3.25Å; W169-P207 HydrophobicContact CH2-CB 3.62Å; W169-P207 HydrophobicContact CH2-CG 4.47Å; W169-P207 HydrophobicContact CZ2-CB 3.88Å; W169-P207 HydrophobicContact CZ2-CG 4.35Å; W169-P207 HydrophobicContact CZ3-CB 4.42Å
170	E	98.9	Very high	98.5	Very high	101 Å²	101	41 Å²	41	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-39.6	175.5	-69.5	178.5	171.2	0	0	112.3	C166 A167 L172 E173 A174 K200	C166-E170 WeakPolarHBondContact O-CG 3.38Å; C166-E170 PolarHBondContact O-N 3.29Å; A167-E170 PolarHBondContact O-N 3.3Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-E173 WeakPolarHBondContact O-CB 3.35Å; E170-E173 PolarHBondContact O-N 2.88Å; E170-A174 PolarHBondContact O-N 3.33Å; E170-K200 WeakPolarHBondContact OE1-CE 3.34Å; E170-K200 IonicContact OE1-NZ 3.5Å; E170-K200 PolarHBondContact OE1-NZ 3.5Å
171	A	98.9	Very high	98.5	Very high	16 Å²	16	38.6 Å²	38.6	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-34.1	176.4	0	0	0	0	0	112.4	P113 V116 A167 T168 W169 A174 C175	P113-A171 HydrophobicContact CB-CB 4.02Å; P113-A171 WeakPolarHBondContact O-CB 3.34Å; V116-A171 HydrophobicContact CB-CB 3.73Å; V116-A171 HydrophobicContact CG1-CB 4.05Å; V116-A171 HydrophobicContact CG2-CB 3.77Å; A167-A171 PolarHBondContact O-N 3.48Å; T168-A171 PolarHBondContact O-N 3.32Å; W169-A171 VanDerWaalsContact C-N 3.27Å; W169-A171 PolarHBondContact O-N 3.39Å; A171-A174 PolarHBondContact O-N 3.39Å; A171-C175 PolarHBondContact O-N 3.45Å; A171-C175 PolarHBondContact O-SG 3.21Å
172	L	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-41.9	171.4	-73.6	171.2	0	0	0	111.8	V116 Y135 V137 T168 W169 E170 A174 C175 K176 L184	V116-L172 HydrophobicContact CG1-CD2 3.55Å; V116-L172 HydrophobicContact CG1-CG 3.8Å; Y135-L172 HydrophobicContact CD1-CD2 3.61Å; Y135-L172 HydrophobicContact CE1-CD2 4.11Å; V137-L172 HydrophobicContact CG2-CD1 3.47Å; V137-L172 VanDerWaalsContact CG2-CD1 3.47Å; T168-L172 PolarHBondContact O-N 2.99Å; T168-L172 VanDerWaalsContact O-N 3.15Å; W169-L172 HydrophobicContact CE3-CD1 3.82Å; W169-L172 HydrophobicContact CZ3-CD1 4.02Å; W169-L172 WeakPolarHBondContact O-CA 3.47Å; W169-L172 WeakPolarHBondContact O-CB 3.49Å; W169-L172 PolarHBondContact O-N 3.37Å; E170-L172 VanDerWaalsContact C-N 3.34Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.15Å; L172-C175 WeakPolarHBondContact O-CA 3.48Å; L172-C175 WeakPolarHBondContact O-CB 3.37Å; L172-C175 PolarHBondContact O-N 2.86Å; L172-K176 PolarHBondContact O-N 3.07Å; L172-K176 VanDerWaalsContact O-N 3.08Å; L172-L184 HydrophobicContact CB-CD1 4.09Å; L172-L184 HydrophobicContact CB-CD2 4.06Å; L172-L184 HydrophobicContact CD2-CD2 4.41Å; L172-L184 WeakPolarHBondContact O-CD1 3.2Å
173	E	98.9	Very high	98.7	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-55.4	-43.7	174.2	-70.2	-179.7	134.3	0	0	111	W169 E170 C175 K176 D177 L184 K200 L203 K204 H205	W169-E173 WeakPolarHBondContact O-CG 3.44Å; W169-E173 PolarHBondContact O-N 3.47Å; E170-E173 WeakPolarHBondContact O-CB 3.35Å; E170-E173 PolarHBondContact O-N 2.88Å; E173-C175 VanDerWaalsContact C-N 3.33Å; E173-C175 PolarHBondContact O-N 2.98Å; E173-K176 PolarHBondContact O-N 3.44Å; E173-D177 VanDerWaalsContact O-CG 3.25Å; E173-D177 PolarHBondContact O-N 2.93Å; E173-L184 HydrophobicContact CG-CD1 4.36Å; E173-K200 IonicContact OE2-NZ 2.74Å; E173-L203 WeakPolarHBondContact OE1-CD1 3.38Å; E173-K204 WeakPolarHBondContact OE1-CA 3.39Å; E173-K204 WeakPolarHBondContact OE1-CB 3.38Å; E173-K204 PolarHBondContact OE1-N 3.35Å; E173-H205 HydrophobicContact CG-CB 4.17Å; E173-H205 PolarHBondContact OE1-N 3.44Å
174	A	98.9	Very high	98.9	Very high	54 Å²	54	30.7 Å²	30.7	45%	0.446	19%	0.186	S	C	.	.	H	α-helix	trans	-64.4	-32.9	175.2	0	0	0	0	0	113.3	E170 A171 L172 D177 A178	E170-A174 PolarHBondContact O-N 3.33Å; A171-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.15Å; A174-D177 PolarHBondContact O-N 3.36Å; A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 2.98Å
175	C	98.9	Very high	98.9	Very high	1 Å²	1	27 Å²	27	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-39.9	174.3	-66.3	0	0	0	0	112	L120 A171 L172 E173 A178 G179 L180 V181	L120-C175 HydrophobicContact CD2-CB 3.73Å; A171-C175 PolarHBondContact O-N 3.45Å; A171-C175 PolarHBondContact O-SG 3.21Å; L172-C175 WeakPolarHBondContact O-CA 3.48Å; L172-C175 WeakPolarHBondContact O-CB 3.37Å; L172-C175 PolarHBondContact O-N 2.86Å; E173-C175 VanDerWaalsContact C-N 3.33Å; E173-C175 PolarHBondContact O-N 2.98Å; C175-A178 PolarHBondContact O-N 3.46Å; C175-G179 PolarHBondContact O-N 2.65Å; C175-L180 PolarHBondContact O-N 3.24Å; C175-L180 VanDerWaalsContact O-N 3.15Å; C175-V181 HydrophobicContact CB-CG1 4Å
176	K	98.9	Very high	98.9	Very high	36 Å²	36	26.7 Å²	26.7	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-43.6	173.8	178.5	164.7	172.5	173.4	0	111.3	D32 L172 E173 A178 G179 V181 K182 L184 H205	D32-K176 IonicContact OD2-NZ 3.36Å; D32-K176 PolarHBondContact OD2-NZ 3.39Å; L172-K176 PolarHBondContact O-N 3.07Å; L172-K176 VanDerWaalsContact O-N 3.08Å; E173-K176 PolarHBondContact O-N 3.44Å; K176-A178 PolarHBondContact O-N 3.49Å; K176-G179 PolarHBondContact O-N 2.83Å; K176-V181 HydrophobicContact CB-CG1 4.01Å; K176-K182 WeakPolarHBondContact CE-O 3.36Å; K176-K182 PolarHBondContact NZ-O 3.13Å; K176-L184 HydrophobicContact CB-CD1 3.87Å; K176-L184 HydrophobicContact CB-CD2 4.45Å; K176-L184 HydrophobicContact CB-CG 4.09Å; K176-L184 HydrophobicContact CD-CD1 4.18Å; K176-L184 HydrophobicContact CD-CG 4.07Å; K176-H205 HydrophobicContact CD-CB 4.35Å; K176-H205 WeakPolarHBondContact CE-ND1 3.44Å
177	D	98.9	Very high	98.9	Very high	83 Å²	83	25.6 Å²	25.6	44%	0.444	16%	0.157	S	C	.	.	H	α-helix	trans	-60.5	-34.5	175.8	-68.8	-26	0	0	0	112.9	E173 A174 G179 K204 H205	E173-D177 VanDerWaalsContact O-CG 3.25Å; E173-D177 PolarHBondContact O-N 2.93Å; A174-D177 PolarHBondContact O-N 3.36Å; D177-G179 PolarHBondContact O-N 2.95Å; D177-K204 VanDerWaalsContact OD1-CE 3.29Å; D177-K204 WeakPolarHBondContact OD1-CE 3.48Å; D177-K204 IonicContact OD1-NZ 3.14Å; D177-K204 PolarHBondContact OD1-NZ 3.32Å; D177-K204 IonicContact OD2-NZ 3.99Å; D177-K204 PolarHBondContact OD2-NZ 2.85Å; D177-H205 IonicContact OD1-CD2 2.7Å; D177-H205 IonicContact OD1-CE1 3.87Å; D177-H205 IonicContact OD1-NE2 2.72Å; D177-H205 PolarHBondContact OD1-NE2 2.89Å
178	A	98.8	Very high	98.9	Very high	52 Å²	52	25.1 Å²	25.1	43%	0.43	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.2	175.7	0	0	0	0	0	113.8	A174 C175 K176 L180	A174-A178 WeakPolarHBondContact O-CB 3.28Å; A174-A178 PolarHBondContact O-N 2.98Å; C175-A178 PolarHBondContact O-N 3.46Å; K176-A178 PolarHBondContact O-N 3.49Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 HydrophobicContact CB-CD1 4.46Å; A178-L180 HydrophobicContact CB-CG 4.18Å; A178-L180 PolarHBondContact O-N 3Å
179	G	98.8	Very high	98.9	Very high	39 Å²	39	25 Å²	25	40%	0.402	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	7.3	179.2	0	0	0	0	0	115.3	C175 K176 D177 V181	C175-G179 PolarHBondContact O-N 2.65Å; K176-G179 PolarHBondContact O-N 2.83Å; D177-G179 PolarHBondContact O-N 2.95Å; G179-V181 VanDerWaalsContact C-N 3.27Å; G179-V181 PolarHBondContact O-N 3.44Å
180	L	98.9	Very high	98.9	Very high	27 Å²	27	25 Å²	25	14%	0.141	15%	0.151	C	C	.	.	S	Bend	trans	-74.5	-19.3	-179.9	-59.2	-179.3	0	0	0	112.7	R117 L120 E121 L124 Y131 V132 C175 A178	R117-L180 HydrophobicContact CG-CD1 4.17Å; L120-L180 HydrophobicContact CD2-CB 3.64Å; L120-L180 HydrophobicContact CD2-CD1 4.37Å; L120-L180 HydrophobicContact CG-CB 4.4Å; E121-L180 HydrophobicContact CG-CD1 4.11Å; L124-L180 HydrophobicContact CD1-CB 4.04Å; L124-L180 HydrophobicContact CD1-CD2 3.92Å; L124-L180 HydrophobicContact CD1-CG 4.45Å; Y131-L180 VanDerWaalsContact CA-O 3.24Å; Y131-L180 WeakPolarHBondContact CA-O 3.43Å; Y131-L180 WeakPolarHBondContact CB-O 3.27Å; V132-L180 PolarHBondContact N-O 3.08Å; V132-L180 VanDerWaalsContact N-O 3.13Å; C175-L180 PolarHBondContact O-N 3.24Å; C175-L180 VanDerWaalsContact O-N 3.15Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 HydrophobicContact CB-CD1 4.46Å; A178-L180 HydrophobicContact CB-CG 4.18Å; A178-L180 PolarHBondContact O-N 3Å
181	V	98.9	Very high	98.9	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.7	178.7	53.6	0	0	0	0	110.6	L120 V132 C175 K176 G179 S183 L184	L120-V181 HydrophobicContact CD2-CB 4.29Å; L120-V181 HydrophobicContact CD2-CG1 4.16Å; V132-V181 HydrophobicContact CG2-CB 3.93Å; V132-V181 HydrophobicContact CG2-CG2 3.88Å; V132-V181 CarbonylContact O-C 3.53Å; V132-V181 VanDerWaalsContact O-CA 3.26Å; V132-V181 WeakPolarHBondContact O-CA 3.42Å; C175-V181 HydrophobicContact CB-CG1 4Å; K176-V181 HydrophobicContact CB-CG1 4.01Å; G179-V181 VanDerWaalsContact C-N 3.27Å; G179-V181 PolarHBondContact O-N 3.44Å; V181-S183 WeakPolarHBondContact CG2-O 3.37Å; V181-L184 HydrophobicContact CG1-CD2 3.68Å; V181-L184 HydrophobicContact CG2-CD2 4.14Å
182	K	98.9	Very high	98.9	Very high	87 Å²	87	30.1 Å²	30.1	38%	0.378	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-43.9	179.3	-57.7	-63.9	-176.3	-176.9	0	112.9	N34 Y131 V132 D133 K176	N34-K182 PolarHBondContact ND2-O 3Å; Y131-K182 HydrophobicContact CD2-CD 4.14Å; Y131-K182 HydrophobicContact CD2-CG 3.64Å; Y131-K182 HydrophobicContact CE2-CD 4.27Å; Y131-K182 VanDerWaalsContact CE2-CE 3.47Å; Y131-K182 HydrophobicContact CE2-CG 3.74Å; V132-K182 PolarHBondContact O-N 3.43Å; D133-K182 WeakPolarHBondContact O-CB 3.34Å; K176-K182 WeakPolarHBondContact CE-O 3.36Å; K176-K182 PolarHBondContact NZ-O 3.13Å
183	S	99	Very high	98.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.4	-176	-40.5	0	0	0	0	111.7	D32 N34 D133 L134 Y135 V181	D32-S183 WeakPolarHBondContact OD2-CA 3.46Å; D32-S183 WeakPolarHBondContact OD2-CB 3.18Å; D32-S183 PolarHBondContact OD2-OG 3.22Å; N34-S183 PolarHBondContact ND2-OG 3.04Å; D133-S183 VanDerWaalsContact O-CB 3.32Å; D133-S183 WeakPolarHBondContact O-CB 3.39Å; D133-S183 PolarHBondContact O-N 3.03Å; D133-S183 PolarHBondContact O-OG 3.46Å; L134-S183 WeakPolarHBondContact CA-O 3.38Å; L134-S183 WeakPolarHBondContact CD1-O 3.33Å; Y135-S183 PolarHBondContact N-O 3.19Å; Y135-S183 VanDerWaalsContact N-O 3.11Å; V181-S183 WeakPolarHBondContact CG2-O 3.37Å
184	L	99	Very high	98.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.3	179.3	-63.7	175	0	0	0	110.7	W169 L172 E173 K176 V181 H205 P207 V208	W169-L184 HydrophobicContact CH2-CB 3.64Å; W169-L184 HydrophobicContact CZ2-CB 3.88Å; W169-L184 HydrophobicContact CZ2-CD1 4.49Å; W169-L184 HydrophobicContact CZ3-CB 4.48Å; L172-L184 HydrophobicContact CB-CD1 4.09Å; L172-L184 HydrophobicContact CB-CD2 4.06Å; L172-L184 HydrophobicContact CD2-CD2 4.41Å; L172-L184 WeakPolarHBondContact O-CD1 3.2Å; E173-L184 HydrophobicContact CG-CD1 4.36Å; K176-L184 HydrophobicContact CB-CD1 3.87Å; K176-L184 HydrophobicContact CB-CD2 4.45Å; K176-L184 HydrophobicContact CB-CG 4.09Å; K176-L184 HydrophobicContact CD-CD1 4.18Å; K176-L184 HydrophobicContact CD-CG 4.07Å; V181-L184 HydrophobicContact CG1-CD2 3.68Å; V181-L184 HydrophobicContact CG2-CD2 4.14Å; L184-H205 HydrophobicContact CD1-CB 4.18Å; L184-P207 WeakPolarHBondContact O-CA 3.25Å; L184-V208 WeakPolarHBondContact O-CG2 3.33Å; L184-V208 PolarHBondContact O-N 3.41Å
185	G	98.9	Very high	98.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-170.4	177.8	0	0	0	0	0	112.5	Y135 I136 V137 W169 S209	Y135-G185 PolarHBondContact O-N 3.28Å; Y135-G185 VanDerWaalsContact O-N 3.14Å; I136-G185 WeakPolarHBondContact CA-O 3.19Å; I136-G185 WeakPolarHBondContact CB-O 3.48Å; I136-G185 VanDerWaalsContact CG2-C 3.49Å; V137-G185 PolarHBondContact N-O 2.99Å; W169-G185 WeakPolarHBondContact CZ3-O 3.41Å; G185-S209 WeakPolarHBondContact CA-O 3.14Å
186	V	99	Very high	98.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	168.1	177.8	-64.4	0	0	0	0	110.2	V137 W169 F189 L194 L197 S209 N210 Q211	V137-V186 HydrophobicContact CB-CG1 4.38Å; V137-V186 HydrophobicContact CG2-CG1 4.45Å; V137-V186 CarbonylContact O-C 3.48Å; W169-V186 HydrophobicContact CE3-CG1 4.27Å; W169-V186 HydrophobicContact CH2-CG1 4.36Å; W169-V186 HydrophobicContact CZ3-CG1 3.65Å; V186-F189 HydrophobicContact CB-CB 4.32Å; V186-F189 HydrophobicContact CB-CD1 3.95Å; V186-F189 HydrophobicContact CB-CD2 3.65Å; V186-F189 HydrophobicContact CB-CE1 4.14Å; V186-F189 HydrophobicContact CB-CE2 3.81Å; V186-F189 HydrophobicContact CB-CG 3.71Å; V186-F189 HydrophobicContact CB-CZ 4.05Å; V186-F189 HydrophobicContact CG1-CD1 3.92Å; V186-F189 HydrophobicContact CG1-CD2 4.26Å; V186-F189 HydrophobicContact CG1-CE1 3.71Å; V186-F189 HydrophobicContact CG1-CE2 4.03Å; V186-F189 HydrophobicContact CG1-CG 4.2Å; V186-F189 HydrophobicContact CG1-CZ 3.74Å; V186-F189 HydrophobicContact CG2-CB 3.82Å; V186-F189 HydrophobicContact CG2-CD1 3.98Å; V186-F189 HydrophobicContact CG2-CD2 4.13Å; V186-F189 HydrophobicContact CG2-CG 3.71Å; V186-L194 HydrophobicContact CG2-CD2 3.57Å; V186-L197 HydrophobicContact CG1-CD1 3.78Å; V186-S209 PolarHBondContact N-O 3.39Å; V186-N210 HydrophobicContact CG2-CB 4.13Å; V186-N210 CarbonylContact O-C 3.56Å; V186-N210 VanDerWaalsContact O-CA 3.28Å; V186-N210 WeakPolarHBondContact O-CA 3.33Å; V186-Q211 PolarHBondContact O-N 3.35Å
187	S	98.9	Very high	98.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.9	176.9	173.1	0	0	0	0	110.1	V137 E138 F189 Q211	V137-S187 WeakPolarHBondContact O-CB 3.28Å; V137-S187 PolarHBondContact O-N 3Å; E138-S187 CarbonylContact O-C 3.56Å; E138-S187 WeakPolarHBondContact O-CB 3.44Å; E138-S187 VanDerWaalsContact O-O 3.13Å; E138-S187 PolarHBondContact O-OG 3.14Å; S187-F189 VanDerWaalsContact O-CD2 3.24Å; S187-F189 WeakPolarHBondContact O-CD2 3.4Å; S187-F189 PolarHBondContact O-N 3.11Å; S187-Q211 CarbonylContact C-O 3.54Å; S187-Q211 WeakPolarHBondContact CA-O 3.33Å; S187-Q211 PolarHBondContact OG-O 3.31Å; S187-Q211 VanDerWaalsContact OG-O 3.12Å
188	N	98.8	Very high	98.9	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.059	15%	0.146	C	C	.	.	S	Bend	trans	60.2	22.3	-175.4	-58.2	-73.2	0	0	0	114.5	E138 L139 Q211 Y237 P339 F340	E138-N188 PolarHBondContact O-ND2 2.96Å; L139-N188 HydrophobicContact CD2-CB 3.66Å; L139-N188 VanDerWaalsContact CD2-ND2 3.3Å; L139-N188 WeakPolarHBondContact CD2-ND2 3.26Å; N188-Q211 PolarHBondContact N-O 3.02Å; N188-Y237 VanDerWaalsContact OD1-CE1 3.22Å; N188-Y237 WeakPolarHBondContact OD1-CE1 3.27Å; N188-Y237 PolarHBondContact OD1-OH 3.1Å; N188-P339 HydrophobicContact CB-CG 4.32Å; N188-P339 WeakPolarHBondContact O-CB 3.47Å; N188-P339 VanDerWaalsContact O-CG 3.27Å; N188-P339 WeakPolarHBondContact O-CG 3.47Å; N188-F340 HydrophobicContact CB-CE1 4.5Å; N188-F340 HydrophobicContact CB-CZ 4.25Å
189	F	98.9	Very high	98.8	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.156	C	C	.	.			trans	-83.2	135	178.1	-83.6	-136.9	0	0	0	110.3	V137 P140 L165 V186 S187 Q193 L194 L197 N210	V137-F189 HydrophobicContact CB-CE2 3.95Å; V137-F189 HydrophobicContact CB-CZ 4.03Å; V137-F189 HydrophobicContact CG1-CE2 3.75Å; V137-F189 HydrophobicContact CG1-CZ 3.88Å; V137-F189 HydrophobicContact CG2-CZ 4.46Å; P140-F189 HydrophobicContact CB-CD2 3.84Å; P140-F189 HydrophobicContact CB-CE2 3.6Å; P140-F189 HydrophobicContact CB-CG 4.46Å; P140-F189 HydrophobicContact CB-CZ 3.98Å; P140-F189 HydrophobicContact CG-CD2 4.12Å; P140-F189 HydrophobicContact CG-CE2 4.28Å; L165-F189 HydrophobicContact CD1-CE1 3.92Å; L165-F189 HydrophobicContact CD1-CZ 4.23Å; L165-F189 HydrophobicContact CD2-CE1 4.39Å; L165-F189 HydrophobicContact CD2-CZ 3.93Å; V186-F189 HydrophobicContact CB-CB 4.32Å; V186-F189 HydrophobicContact CB-CD1 3.95Å; V186-F189 HydrophobicContact CB-CD2 3.65Å; V186-F189 HydrophobicContact CB-CE1 4.14Å; V186-F189 HydrophobicContact CB-CE2 3.81Å; V186-F189 HydrophobicContact CB-CG 3.71Å; V186-F189 HydrophobicContact CB-CZ 4.05Å; V186-F189 HydrophobicContact CG1-CD1 3.92Å; V186-F189 HydrophobicContact CG1-CD2 4.26Å; V186-F189 HydrophobicContact CG1-CE1 3.71Å; V186-F189 HydrophobicContact CG1-CE2 4.03Å; V186-F189 HydrophobicContact CG1-CG 4.2Å; V186-F189 HydrophobicContact CG1-CZ 3.74Å; V186-F189 HydrophobicContact CG2-CB 3.82Å; V186-F189 HydrophobicContact CG2-CD1 3.98Å; V186-F189 HydrophobicContact CG2-CD2 4.13Å; V186-F189 HydrophobicContact CG2-CG 3.71Å; S187-F189 VanDerWaalsContact O-CD2 3.24Å; S187-F189 WeakPolarHBondContact O-CD2 3.4Å; S187-F189 PolarHBondContact O-N 3.11Å; F189-Q193 HydrophobicContact CB-CB 4.23Å; F189-Q193 HydrophobicContact CD1-CB 3.58Å; F189-Q193 HydrophobicContact CE1-CB 4.21Å; F189-Q193 HydrophobicContact CG-CB 4.06Å; F189-L194 HydrophobicContact CB-CD2 4.07Å; F189-L194 HydrophobicContact CB-CG 4.03Å; F189-L194 HydrophobicContact CD1-CD2 4.47Å; F189-L197 HydrophobicContact CD1-CD1 4.31Å; F189-L197 HydrophobicContact CE1-CD1 3.75Å; F189-L197 HydrophobicContact CE1-CG 4.37Å; F189-N210 PolarHBondContact N-OD1 2.85Å; F189-N210 PolarHBondContact O-ND2 2.9Å
190	N	98.9	Very high	98.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.139	C	C	.	.			trans	-84.8	-180	169.2	73.8	21.5	0	0	0	111.5	R192 Q193 L194 P339 Y344	N190-R192 PolarHBondContact O-N 2.9Å; N190-R192 PolarHBondContact OD1-N 2.91Å; N190-Q193 PolarHBondContact O-N 2.94Å; N190-Q193 WeakPolarHBondContact OD1-CG 3.4Å; N190-Q193 PolarHBondContact OD1-N 3.19Å; N190-Q193 PolarHBondContact OD1-OE1 2.71Å; N190-L194 WeakPolarHBondContact O-CG 3.49Å; N190-L194 PolarHBondContact O-N 2.87Å; N190-P339 HydrophobicContact CB-CB 4.46Å; N190-P339 WeakPolarHBondContact CB-O 3.49Å; N190-P339 PolarHBondContact ND2-O 3.49Å; N190-Y344 HydrophobicContact CB-CD1 4.08Å; N190-Y344 HydrophobicContact CB-CE1 3.83Å
191	R	98.7	Very high	98.8	Very high	131 Å²	131	35.9 Å²	35.9	49%	0.494	17%	0.168	S	C	.	.	H	α-helix	trans	-59.2	-47.6	-179.7	179.8	177.5	171.4	161.7	1.6	112.8	Q193 L194 E195 F226	R191-Q193 VanDerWaalsContact C-N 3.3Å; R191-Q193 PolarHBondContact O-N 2.92Å; R191-L194 PolarHBondContact O-N 2.93Å; R191-E195 HydrophobicContact CG-CG 4.29Å; R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 IonicContact NE-OE1 2.93Å; R191-E195 PolarHBondContact NE-OE1 2.98Å; R191-E195 IonicContact NH2-OE1 3.3Å; R191-E195 PolarHBondContact NH2-OE1 3.09Å; R191-E195 WeakPolarHBondContact O-CB 3.19Å; R191-E195 WeakPolarHBondContact O-CG 3.47Å; R191-E195 PolarHBondContact O-N 2.78Å; R191-F226 HydrophobicContact CG-CD1 4.4Å; R191-F226 HydrophobicContact CG-CD2 3.87Å; R191-F226 HydrophobicContact CG-CE1 4.38Å; R191-F226 HydrophobicContact CG-CE2 3.82Å; R191-F226 HydrophobicContact CG-CG 4.16Å; R191-F226 HydrophobicContact CG-CZ 4.1Å
192	R	98.7	Very high	98.8	Very high	94 Å²	94	39.3 Å²	39.3	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-59	-43.6	-179	-178	-173.4	67.2	81.7	1.4	111.4	N190 E195 L196 E337 E342	N190-R192 PolarHBondContact O-N 2.9Å; N190-R192 PolarHBondContact OD1-N 2.91Å; R192-E195 PolarHBondContact O-N 3.38Å; R192-L196 WeakPolarHBondContact O-CB 3.28Å; R192-L196 PolarHBondContact O-N 3.43Å; R192-E337 IonicContact CZ-OE1 3.01Å; R192-E337 IonicContact CZ-OE2 2.71Å; R192-E337 IonicContact NH1-OE1 2.75Å; R192-E337 PolarHBondContact NH1-OE1 3.33Å; R192-E337 IonicContact NH1-OE2 2.94Å; R192-E337 IonicContact NH2-OE1 3.56Å; R192-E337 PolarHBondContact NH2-OE1 2.92Å; R192-E337 IonicContact NH2-OE2 3.67Å; R192-E337 PolarHBondContact NH2-OE2 2.58Å; R192-E342 VanDerWaalsContact CB-OE2 3.32Å; R192-E342 WeakPolarHBondContact CB-OE2 3.36Å; R192-E342 WeakPolarHBondContact CD-OE1 3.47Å; R192-E342 IonicContact NE-OE1 3.7Å; R192-E342 PolarHBondContact NE-OE1 2.99Å
193	Q	98.8	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-38.7	-179.1	-67.8	162.4	-26.3	0	0	112	P140 L165 F189 N190 R191 L196 L197 E337	P140-Q193 HydrophobicContact CB-CG 4.43Å; P140-Q193 VanDerWaalsContact CB-NE2 3.34Å; P140-Q193 VanDerWaalsContact CG-NE2 3.34Å; L165-Q193 HydrophobicContact CD1-CB 4.13Å; L165-Q193 HydrophobicContact CD1-CG 4.02Å; F189-Q193 HydrophobicContact CB-CB 4.23Å; F189-Q193 HydrophobicContact CD1-CB 3.58Å; F189-Q193 HydrophobicContact CE1-CB 4.21Å; F189-Q193 HydrophobicContact CG-CB 4.06Å; N190-Q193 PolarHBondContact O-N 2.94Å; N190-Q193 WeakPolarHBondContact OD1-CG 3.4Å; N190-Q193 PolarHBondContact OD1-N 3.19Å; N190-Q193 PolarHBondContact OD1-OE1 2.71Å; R191-Q193 VanDerWaalsContact C-N 3.3Å; R191-Q193 PolarHBondContact O-N 2.92Å; Q193-L196 WeakPolarHBondContact O-CB 3.42Å; Q193-L196 PolarHBondContact O-N 2.95Å; Q193-L197 PolarHBondContact O-N 3.06Å; Q193-E337 WeakPolarHBondContact CG-OE2 3.33Å; Q193-E337 PolarHBondContact NE2-O 3.37Å; Q193-E337 PolarHBondContact NE2-OE2 2.8Å
194	L	98.9	Very high	98.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-47.1	170.6	-70.9	172.7	0	0	0	111.5	V186 F189 N190 R191 L196 L197 L198 L223 F226 I232	V186-L194 HydrophobicContact CG2-CD2 3.57Å; F189-L194 HydrophobicContact CB-CD2 4.07Å; F189-L194 HydrophobicContact CB-CG 4.03Å; F189-L194 HydrophobicContact CD1-CD2 4.47Å; N190-L194 WeakPolarHBondContact O-CG 3.49Å; N190-L194 PolarHBondContact O-N 2.87Å; R191-L194 PolarHBondContact O-N 2.93Å; L194-L196 PolarHBondContact O-N 3.29Å; L194-L197 PolarHBondContact O-N 3.18Å; L194-L197 VanDerWaalsContact O-N 3.17Å; L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 VanDerWaalsContact O-CG 3.24Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.27Å; L194-L223 HydrophobicContact CD1-CD1 3.95Å; L194-F226 HydrophobicContact CB-CE1 3.68Å; L194-F226 HydrophobicContact CB-CZ 4.36Å; L194-F226 HydrophobicContact CD1-CD1 3.89Å; L194-F226 HydrophobicContact CD1-CE1 3.73Å; L194-F226 HydrophobicContact CG-CE1 4.38Å; L194-I232 HydrophobicContact CD2-CD1 4.16Å
195	E	98.8	Very high	98.7	Very high	42 Å²	42	45.1 Å²	45.1	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-36.1	178	-75.9	-169.3	-169.8	0	0	112.3	R191 R192 L198 K199 F226	R191-E195 HydrophobicContact CG-CG 4.29Å; R191-E195 IonicContact CZ-OE1 2.63Å; R191-E195 IonicContact NE-OE1 2.93Å; R191-E195 PolarHBondContact NE-OE1 2.98Å; R191-E195 IonicContact NH2-OE1 3.3Å; R191-E195 PolarHBondContact NH2-OE1 3.09Å; R191-E195 WeakPolarHBondContact O-CB 3.19Å; R191-E195 WeakPolarHBondContact O-CG 3.47Å; R191-E195 PolarHBondContact O-N 2.78Å; R192-E195 PolarHBondContact O-N 3.38Å; E195-L198 PolarHBondContact O-N 3.2Å; E195-K199 HydrophobicContact CB-CD 4.49Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.37Å; E195-K199 VanDerWaalsContact O-CG 3.27Å; E195-K199 WeakPolarHBondContact O-CG 3.33Å; E195-K199 PolarHBondContact O-N 3.48Å; E195-K199 IonicContact OE2-NZ 3.81Å; E195-K199 PolarHBondContact OE2-NZ 3.17Å; E195-F226 HydrophobicContact CG-CE2 3.81Å; E195-F226 HydrophobicContact CG-CZ 3.53Å
196	L	98.7	Very high	98.7	Very high	69 Å²	69	48.1 Å²	48.1	36%	0.361	24%	0.244	S	C	.	.	H	α-helix	trans	-57.1	-50.1	174.4	177.9	67.8	0	0	0	111.1	L165 R192 Q193 L194 K199 K200	L165-L196 HydrophobicContact CB-CD2 4.03Å; L165-L196 HydrophobicContact CD1-CD2 4.11Å; L165-L196 HydrophobicContact CG-CD2 4.48Å; R192-L196 WeakPolarHBondContact O-CB 3.28Å; R192-L196 PolarHBondContact O-N 3.43Å; Q193-L196 WeakPolarHBondContact O-CB 3.42Å; Q193-L196 PolarHBondContact O-N 2.95Å; L194-L196 PolarHBondContact O-N 3.29Å; L196-K199 PolarHBondContact O-N 3.3Å; L196-K200 PolarHBondContact O-N 3.15Å; L196-K200 VanDerWaalsContact O-N 3.15Å
197	L	98.8	Very high	98.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-43.7	177.6	-64.7	-174.4	0	0	0	111.9	L165 W169 V186 F189 Q193 L194 K199 K200	L165-L197 HydrophobicContact CB-CD2 4.23Å; W169-L197 HydrophobicContact CB-CD2 3.71Å; W169-L197 HydrophobicContact CD2-CD1 3.95Å; W169-L197 HydrophobicContact CD2-CD2 4.33Å; W169-L197 HydrophobicContact CE3-CD1 3.74Å; W169-L197 HydrophobicContact CG-CD1 4.4Å; W169-L197 HydrophobicContact CG-CD2 3.92Å; W169-L197 HydrophobicContact CZ3-CD1 4.2Å; V186-L197 HydrophobicContact CG1-CD1 3.78Å; F189-L197 HydrophobicContact CD1-CD1 4.31Å; F189-L197 HydrophobicContact CE1-CD1 3.75Å; F189-L197 HydrophobicContact CE1-CG 4.37Å; Q193-L197 PolarHBondContact O-N 3.06Å; L194-L197 PolarHBondContact O-N 3.18Å; L194-L197 VanDerWaalsContact O-N 3.17Å; L197-K199 VanDerWaalsContact C-N 3.25Å; L197-K199 PolarHBondContact O-N 2.84Å; L197-K200 WeakPolarHBondContact O-CB 3.36Å; L197-K200 PolarHBondContact O-N 3.3Å
198	L	98.8	Very high	98.7	Very high	38 Å²	38	48 Å²	48	20%	0.199	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-29.5	-179.4	-67.9	174.5	0	0	0	113.2	L194 E195 K206 P207 F226 N230 I232	L194-L198 WeakPolarHBondContact O-CB 3.25Å; L194-L198 VanDerWaalsContact O-CG 3.24Å; L194-L198 WeakPolarHBondContact O-CG 3.46Å; L194-L198 PolarHBondContact O-N 3.27Å; E195-L198 PolarHBondContact O-N 3.2Å; L198-K206 HydrophobicContact CD2-CD 3.59Å; L198-K206 HydrophobicContact CD2-CG 3.39Å; L198-P207 HydrophobicContact CD2-CG 4.34Å; L198-F226 HydrophobicContact CD1-CE1 4.29Å; L198-F226 HydrophobicContact CD1-CZ 4.04Å; L198-N230 HydrophobicContact CD1-CB 4.06Å; L198-I232 HydrophobicContact CD1-CD1 4.35Å; L198-I232 HydrophobicContact CD2-CD1 4.46Å
199	K	98.5	Very high	98.7	Very high	147 Å²	147	47.6 Å²	47.6	64%	0.639	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	1.3	179	-65.9	169.2	-179.6	166.6	0	113	E195 L196 L197	E195-K199 HydrophobicContact CB-CD 4.49Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.37Å; E195-K199 VanDerWaalsContact O-CG 3.27Å; E195-K199 WeakPolarHBondContact O-CG 3.33Å; E195-K199 PolarHBondContact O-N 3.48Å; E195-K199 IonicContact OE2-NZ 3.81Å; E195-K199 PolarHBondContact OE2-NZ 3.17Å; L196-K199 PolarHBondContact O-N 3.3Å; L197-K199 VanDerWaalsContact C-N 3.25Å; L197-K199 PolarHBondContact O-N 2.84Å
200	K	98.4	Very high	98.7	Very high	13 Å²	13	47.5 Å²	47.5	6%	0.057	24%	0.241	C	C	.	.			trans	-57.3	126.4	-179.9	179	-174.6	170.9	-68.5	0	110.6	C166 E170 E173 L196 L197 G202 L203	C166-K200 HydrophobicContact CB-CD 3.95Å; C166-K200 HydrophobicContact CB-CG 4.13Å; C166-K200 WeakPolarHBondContact O-CE 3.4Å; E170-K200 WeakPolarHBondContact OE1-CE 3.34Å; E170-K200 IonicContact OE1-NZ 3.5Å; E170-K200 PolarHBondContact OE1-NZ 3.5Å; E173-K200 IonicContact OE2-NZ 2.74Å; L196-K200 PolarHBondContact O-N 3.15Å; L196-K200 VanDerWaalsContact O-N 3.15Å; L197-K200 WeakPolarHBondContact O-CB 3.36Å; L197-K200 PolarHBondContact O-N 3.3Å; K200-G202 PolarHBondContact O-N 2.92Å; K200-L203 HydrophobicContact CB-CB 4.42Å; K200-L203 HydrophobicContact CD-CD1 4.45Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.4Å
201	P	98.2	Very high	98.7	Very high	114 Å²	114	47.7 Å²	47.7	74%	0.74	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	133	173.3	-25.3	35.1	0	0	0	111.4	L203	P201-L203 VanDerWaalsContact C-N 3.26Å; P201-L203 PolarHBondContact O-N 2.91Å
202	G	98.3	Very high	98.7	Very high	73 Å²	73	41.5 Å²	41.5	75%	0.753	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	20.4	179.9	0	0	0	0	0	115	K200 K204	K200-G202 PolarHBondContact O-N 2.92Å; G202-K204 PolarHBondContact O-N 3.17Å
203	L	98.8	Very high	98.7	Very high	51 Å²	51	37 Å²	37	27%	0.267	20%	0.202	S	C	.	.			trans	-49.9	122.2	172.2	-178.5	70.2	0	0	0	110.5	E173 K200 P201	E173-L203 WeakPolarHBondContact OE1-CD1 3.38Å; K200-L203 HydrophobicContact CB-CB 4.42Å; K200-L203 HydrophobicContact CD-CD1 4.45Å; K200-L203 WeakPolarHBondContact O-CB 3.44Å; K200-L203 PolarHBondContact O-N 3.4Å; P201-L203 VanDerWaalsContact C-N 3.26Å; P201-L203 PolarHBondContact O-N 2.91Å
204	K	98.7	Very high	98.7	Very high	125 Å²	125	37 Å²	37	54%	0.543	20%	0.202	S	C	.	.			trans	-100.1	-46.2	-177.4	-172.1	-179.9	-174.8	-179	0	111.7	E173 D177 G202	E173-K204 WeakPolarHBondContact OE1-CA 3.39Å; E173-K204 WeakPolarHBondContact OE1-CB 3.38Å; E173-K204 PolarHBondContact OE1-N 3.35Å; D177-K204 VanDerWaalsContact OD1-CE 3.29Å; D177-K204 WeakPolarHBondContact OD1-CE 3.48Å; D177-K204 IonicContact OD1-NZ 3.14Å; D177-K204 PolarHBondContact OD1-NZ 3.32Å; D177-K204 IonicContact OD2-NZ 3.99Å; D177-K204 PolarHBondContact OD2-NZ 2.85Å; G202-K204 PolarHBondContact O-N 3.17Å
205	H	98.8	Very high	98.7	Very high	35 Å²	35	37 Å²	37	16%	0.162	20%	0.202	C	C	.	.	S	Bend	trans	-123.1	113.5	179.7	-57.5	-74.9	0	0	0	109.3	W169 E173 K176 D177 L184	W169-H205 WeakPolarHBondContact CZ2-O 3.36Å; W169-H205 PolarHBondContact NE1-O 3.25Å; E173-H205 HydrophobicContact CG-CB 4.17Å; E173-H205 PolarHBondContact OE1-N 3.44Å; K176-H205 HydrophobicContact CD-CB 4.35Å; K176-H205 WeakPolarHBondContact CE-ND1 3.44Å; D177-H205 IonicContact OD1-CD2 2.7Å; D177-H205 IonicContact OD1-CE1 3.87Å; D177-H205 IonicContact OD1-NE2 2.72Å; D177-H205 PolarHBondContact OD1-NE2 2.89Å; L184-H205 HydrophobicContact CD1-CB 4.18Å
206	K	98.7	Very high	98.7	Very high	63 Å²	63	35 Å²	35	27%	0.274	19%	0.192	S	C	.	.			trans	-66.3	143.8	175.2	-164.4	-177.6	75.3	-168.8	0	110.3	S31 L198 V208 N230	S31-K206 WeakPolarHBondContact OG-CE 3.13Å; L198-K206 HydrophobicContact CD2-CD 3.59Å; L198-K206 HydrophobicContact CD2-CG 3.39Å; K206-V208 PolarHBondContact O-N 2.91Å; K206-N230 WeakPolarHBondContact CE-O 3.4Å; K206-N230 PolarHBondContact NZ-O 3.24Å
207	P	98.9	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.			trans	-57.5	124.5	166.9	23.4	-33.7	0	0	0	109.6	W169 L184 L198 I232	W169-P207 HydrophobicContact CH2-CB 3.62Å; W169-P207 HydrophobicContact CH2-CG 4.47Å; W169-P207 HydrophobicContact CZ2-CB 3.88Å; W169-P207 HydrophobicContact CZ2-CG 4.35Å; W169-P207 HydrophobicContact CZ3-CB 4.42Å; L184-P207 WeakPolarHBondContact O-CA 3.25Å; L198-P207 HydrophobicContact CD2-CG 4.34Å; P207-I232 HydrophobicContact CG-CD1 4.27Å
208	V	98.9	Very high	98.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.177	C	C	.	.			trans	-91	-18.3	-178.5	-54.5	0	0	0	0	112.6	L30 D32 L134 L184 K206 V233	L30-V208 HydrophobicContact CB-CB 4.13Å; L30-V208 HydrophobicContact CB-CG2 4.24Å; L30-V208 HydrophobicContact CD1-CG2 4.01Å; L30-V208 HydrophobicContact CD2-CB 4.13Å; L30-V208 HydrophobicContact CD2-CG2 3.85Å; L30-V208 HydrophobicContact CG-CG2 4.25Å; D32-V208 HydrophobicContact CB-CG1 3.86Å; L134-V208 HydrophobicContact CD1-CG2 4.31Å; L184-V208 WeakPolarHBondContact O-CG2 3.33Å; L184-V208 PolarHBondContact O-N 3.41Å; K206-V208 PolarHBondContact O-N 2.91Å; V208-V233 PolarHBondContact O-N 3.47Å
209	S	98.9	Very high	98.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.3	179.4	66.6	0	0	0	0	113.1	G185 V186 V233	G185-S209 WeakPolarHBondContact CA-O 3.14Å; V186-S209 PolarHBondContact N-O 3.39Å; S209-V233 CarbonylContact C-O 3.5Å; S209-V233 WeakPolarHBondContact CA-O 3.23Å; S209-V233 WeakPolarHBondContact CB-O 3.5Å
210	N	98.9	Very high	98.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.1	165.2	-171.9	16.4	0	0	0	109.3	V186 F189 I212 I232 V233 V234 V235	V186-N210 HydrophobicContact CG2-CB 4.13Å; V186-N210 CarbonylContact O-C 3.56Å; V186-N210 VanDerWaalsContact O-CA 3.28Å; V186-N210 WeakPolarHBondContact O-CA 3.33Å; F189-N210 PolarHBondContact N-OD1 2.85Å; F189-N210 PolarHBondContact O-ND2 2.9Å; N210-I212 WeakPolarHBondContact OD1-CG2 3.23Å; N210-I232 HydrophobicContact CB-CG2 4.04Å; N210-V233 PolarHBondContact N-O 2.85Å; N210-V234 WeakPolarHBondContact O-CA 3.02Å; N210-V235 PolarHBondContact O-N 3.13Å
211	Q	98.9	Very high	98.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.4	177.7	-169.2	-178.2	111.7	0	0	110.3	D71 I136 V186 S187 N188 V235 Y237 I289	D71-Q211 PolarHBondContact OD2-NE2 3.39Å; I136-Q211 HydrophobicContact CD1-CB 3.98Å; V186-Q211 PolarHBondContact O-N 3.35Å; S187-Q211 CarbonylContact C-O 3.54Å; S187-Q211 WeakPolarHBondContact CA-O 3.33Å; S187-Q211 PolarHBondContact OG-O 3.31Å; S187-Q211 VanDerWaalsContact OG-O 3.12Å; N188-Q211 PolarHBondContact N-O 3.02Å; Q211-V235 CarbonylContact C-O 3.57Å; Q211-V235 WeakPolarHBondContact CA-O 3.31Å; Q211-V235 HydrophobicContact CB-CB 4.04Å; Q211-V235 HydrophobicContact CG-CB 3.93Å; Q211-V235 HydrophobicContact CG-CG1 3.93Å; Q211-V235 WeakPolarHBondContact CG-O 3.41Å; Q211-Y237 HydrophobicContact CG-CD1 4.18Å; Q211-I289 HydrophobicContact CG-CD1 4.23Å
212	I	98.9	Very high	98.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.4	-173	59.9	-173.8	0	0	0	111	N210 C214 Q220 L223 V234 V235 G236 Y237	N210-I212 WeakPolarHBondContact OD1-CG2 3.23Å; I212-C214 PolarHBondContact O-N 3.49Å; I212-Q220 HydrophobicContact CD1-CB 4.3Å; I212-Q220 VanDerWaalsContact CD1-CD 3.48Å; I212-Q220 HydrophobicContact CD1-CG 3.88Å; I212-Q220 HydrophobicContact CG1-CG 4.3Å; I212-L223 HydrophobicContact CD1-CD2 3.66Å; I212-L223 HydrophobicContact CD1-CG 4.09Å; I212-L223 HydrophobicContact CG2-CD2 4.39Å; I212-V234 HydrophobicContact CD1-CG1 3.82Å; I212-V234 HydrophobicContact CD1-CG2 4.34Å; I212-V234 HydrophobicContact CG1-CG1 3.76Å; I212-V235 PolarHBondContact N-O 3.16Å; I212-G236 CarbonylContact O-C 3.48Å; I212-G236 WeakPolarHBondContact O-CA 3.31Å; I212-Y237 VanDerWaalsContact CA-CE1 3.44Å; I212-Y237 PolarHBondContact O-N 3.17Å
213	E	98.8	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123.3	172.5	-173.7	178.7	150	0	0	109.2	H215 F218 Q220 Y237 R325 F326 V327	E213-H215 WeakPolarHBondContact CG-NE2 3.44Å; E213-H215 IonicContact OE1-CE1 3.85Å; E213-H215 PolarHBondContact OE1-CE1 3.11Å; E213-H215 IonicContact OE1-NE2 2.75Å; E213-H215 PolarHBondContact OE1-NE2 2.88Å; E213-F218 HydrophobicContact CB-CD1 4.29Å; E213-F218 HydrophobicContact CG-CD1 4.3Å; E213-Q220 WeakPolarHBondContact O-CG 3.42Å; E213-Q220 PolarHBondContact O-NE2 3.09Å; E213-Y237 HydrophobicContact CB-CD2 4.23Å; E213-Y237 HydrophobicContact CB-CE1 4.34Å; E213-Y237 HydrophobicContact CB-CE2 3.51Å; E213-Y237 HydrophobicContact CG-CE2 4.1Å; E213-R325 VanDerWaalsContact OE1-CA 3.3Å; E213-R325 WeakPolarHBondContact OE1-CA 3.49Å; E213-R325 WeakPolarHBondContact OE2-CB 3.48Å; E213-F326 PolarHBondContact OE1-N 2.6Å; E213-F326 PolarHBondContact OE2-N 2.94Å; E213-V327 WeakPolarHBondContact OE2-CA 3.46Å; E213-V327 WeakPolarHBondContact OE2-CB 3.29Å; E213-V327 PolarHBondContact OE2-N 3.41Å
214	C	98.8	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.095	C	C	.	.			trans	-153.1	114.8	-177.9	-170.8	0	0	0	0	112.3	I212 F218 Q220 Y237 N281 R284	I212-C214 PolarHBondContact O-N 3.49Å; C214-F218 WeakPolarHBondContact CA-O 3.47Å; C214-Q220 HydrophobicContact CB-CG 4.1Å; C214-Y237 PolarHBondContact N-O 3.21Å; C214-N281 PolarHBondContact O-ND2 3.48Å; C214-N281 PolarHBondContact SG-OD1 3.26Å; C214-N281 VanDerWaalsContact SG-OD1 3.4Å; C214-R284 PolarHBondContact SG-NH2 3.24Å
215	H	98.8	Very high	98.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-161.4	174.4	-179.9	48.2	65.3	0	0	0	110.5	E213 Y217 F218 T219 C238 L256 F326	E213-H215 WeakPolarHBondContact CG-NE2 3.44Å; E213-H215 IonicContact OE1-CE1 3.85Å; E213-H215 PolarHBondContact OE1-CE1 3.11Å; E213-H215 IonicContact OE1-NE2 2.75Å; E213-H215 PolarHBondContact OE1-NE2 2.88Å; H215-Y217 VanDerWaalsContact C-N 3.25Å; H215-Y217 PolarHBondContact ND1-N 3.05Å; H215-Y217 PolarHBondContact O-N 2.88Å; H215-Y217 VanDerWaalsContact O-N 3.09Å; H215-F218 VanDerWaalsContact CE1-CB 3.47Å; H215-F218 WeakPolarHBondContact CE1-CB 3.49Å; H215-F218 PolarHBondContact N-O 3.49Å; H215-F218 VanDerWaalsContact N-O 3.11Å; H215-F218 PolarHBondContact ND1-N 2.77Å; H215-F218 CarbonylContact O-C 3.5Å; H215-F218 PolarHBondContact O-N 2.91Å; H215-T219 PolarHBondContact O-N 2.74Å; H215-C238 PolarHBondContact CD2-O 3.34Å; H215-C238 VanDerWaalsContact CD2-O 3.24Å; H215-L256 HydrophobicContact CB-CD2 3.83Å; H215-F326 AromaticContact CE1-CD2 3.54Å; H215-F326 AromaticContact CE1-CE2 3.65Å; H215-F326 AromaticContact NE2-CD2 3.28Å; H215-F326 VanDerWaalsContact NE2-CD2 3.28Å; H215-F326 WeakPolarHBondContact NE2-CD2 3.39Å; H215-F326 AromaticContact NE2-CE2 3.77Å
216	P	98.7	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.4	-176.6	-30.5	36.4	0	0	0	116.2	T219 L256 L262 A277 F280 I317 L320 N321	P216-T219 VanDerWaalsContact O-CG2 3.25Å; P216-T219 WeakPolarHBondContact O-CG2 3.35Å; P216-L256 HydrophobicContact CB-CD1 4Å; P216-L256 HydrophobicContact CG-CD1 4.27Å; P216-L262 HydrophobicContact CB-CD1 4.47Å; P216-L262 HydrophobicContact CG-CD1 4.23Å; P216-L262 HydrophobicContact CG-CD2 4.25Å; P216-A277 HydrophobicContact CG-CB 4.2Å; P216-F280 HydrophobicContact CG-CD1 4.06Å; P216-F280 HydrophobicContact CG-CE1 4.47Å; P216-I317 HydrophobicContact CB-CG2 3.71Å; P216-I317 HydrophobicContact CG-CG2 3.64Å; P216-L320 HydrophobicContact CB-CB 4.3Å; P216-L320 HydrophobicContact CB-CD1 4.08Å; P216-L320 CarbonylContact O-C 3.48Å; P216-L320 VanDerWaalsContact O-C 3.24Å; P216-N321 VanDerWaalsContact O-CA 3.29Å; P216-N321 WeakPolarHBondContact O-CA 3.4Å; P216-N321 PolarHBondContact O-N 3.43Å; P216-N321 VanDerWaalsContact O-N 3.12Å
217	Y	98.6	Very high	98.7	Very high	8 Å²	8	13.6 Å²	13.6	3%	0.031	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.2	174.2	-70.7	-11.7	0	0	0	115.3	H215 P254 L256 D259 L320 N321 K322 N323 F326	H215-Y217 VanDerWaalsContact C-N 3.25Å; H215-Y217 PolarHBondContact ND1-N 3.05Å; H215-Y217 PolarHBondContact O-N 2.88Å; H215-Y217 VanDerWaalsContact O-N 3.09Å; Y217-P254 HydrophobicContact CE2-CG 4.07Å; Y217-L256 HydrophobicContact CD1-CD1 3.89Å; Y217-L256 HydrophobicContact CD2-CB 4.29Å; Y217-L256 HydrophobicContact CD2-CD1 3.79Å; Y217-L256 HydrophobicContact CE1-CD1 4.2Å; Y217-L256 HydrophobicContact CE2-CB 4.34Å; Y217-L256 HydrophobicContact CE2-CD1 4.09Å; Y217-L256 HydrophobicContact CG-CD1 3.69Å; Y217-D259 HydrophobicContact CE1-CB 4.33Å; Y217-D259 VanDerWaalsContact CE1-OD2 3.31Å; Y217-D259 WeakPolarHBondContact CE1-OD2 3.27Å; Y217-D259 PolarHBondContact OH-OD2 2.98Å; Y217-L320 HydrophobicContact CD1-CB 4.1Å; Y217-L320 WeakPolarHBondContact CD1-O 3.21Å; Y217-L320 HydrophobicContact CE1-CB 4.26Å; Y217-N321 PolarHBondContact O-OD1 2.91Å; Y217-K322 HydrophobicContact CD1-CD 4.04Å; Y217-K322 HydrophobicContact CD1-CG 4.18Å; Y217-K322 HydrophobicContact CD2-CD 4.2Å; Y217-K322 HydrophobicContact CE1-CD 4.28Å; Y217-K322 HydrophobicContact CE2-CD 4.46Å; Y217-K322 HydrophobicContact CG-CD 3.98Å; Y217-K322 HydrophobicContact CG-CG 4.29Å; Y217-K322 PolarHBondContact O-N 3.39Å; Y217-K322 PolarHBondContact OH-NZ 3.3Å; Y217-K322 VanDerWaalsContact OH-NZ 3.1Å; Y217-N323 PolarHBondContact O-N 3.18Å; Y217-F326 HydrophobicContact CD2-CZ 4.13Å
218	F	98.6	Very high	98.7	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.018	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-145.4	80.8	178.7	-162.7	-113.2	0	0	0	108.9	E213 C214 H215 Q220 N321 N323 R325 Y344	E213-F218 HydrophobicContact CB-CD1 4.29Å; E213-F218 HydrophobicContact CG-CD1 4.3Å; C214-F218 WeakPolarHBondContact CA-O 3.47Å; H215-F218 VanDerWaalsContact CE1-CB 3.47Å; H215-F218 WeakPolarHBondContact CE1-CB 3.49Å; H215-F218 PolarHBondContact N-O 3.49Å; H215-F218 VanDerWaalsContact N-O 3.11Å; H215-F218 PolarHBondContact ND1-N 2.77Å; H215-F218 CarbonylContact O-C 3.5Å; H215-F218 PolarHBondContact O-N 2.91Å; F218-Q220 VanDerWaalsContact C-N 3.33Å; F218-Q220 HydrophobicContact CD1-CG 4.19Å; F218-Q220 HydrophobicContact CE1-CG 4.2Å; F218-Q220 PolarHBondContact O-N 3.28Å; F218-N321 WeakPolarHBondContact CA-OD1 3.44Å; F218-N323 WeakPolarHBondContact CE2-OD1 3.26Å; F218-R325 HydrophobicContact CD1-CG 4.1Å; F218-R325 HydrophobicContact CD2-CG 4.24Å; F218-R325 HydrophobicContact CE1-CG 3.79Å; F218-R325 HydrophobicContact CE2-CG 3.97Å; F218-R325 HydrophobicContact CG-CG 4.34Å; F218-R325 HydrophobicContact CZ-CG 3.76Å; F218-Y344 HydrophobicContact CE1-CE2 4.47Å; F218-Y344 HydrophobicContact CZ-CE2 4.29Å
219	T	98.7	Very high	98.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	12%	0.117	C	C	.	.			trans	-85.8	-2.2	-163.8	59.1	0	0	0	0	114.4	H215 P216 F280 R284 N321	H215-T219 PolarHBondContact O-N 2.74Å; P216-T219 VanDerWaalsContact O-CG2 3.25Å; P216-T219 WeakPolarHBondContact O-CG2 3.35Å; T219-F280 HydrophobicContact CG2-CE1 4.32Å; T219-F280 HydrophobicContact CG2-CZ 4.24Å; T219-R284 PolarHBondContact O-NH1 3.02Å; T219-R284 VanDerWaalsContact O-NH1 3.11Å; T219-R284 PolarHBondContact O-NH2 3.29Å; T219-N321 HydrophobicContact CG2-CB 3.77Å; T219-N321 PolarHBondContact N-OD1 3.17Å; T219-N321 WeakPolarHBondContact OG1-CB 3.16Å; T219-N321 PolarHBondContact OG1-OD1 3.16Å
220	Q	98.6	Very high	98.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.129	C	C	.	.			trans	58.7	40.4	173.6	-65.5	-79	11.5	0	0	115	I212 E213 C214 F218 K222 L224	I212-Q220 HydrophobicContact CD1-CB 4.3Å; I212-Q220 VanDerWaalsContact CD1-CD 3.48Å; I212-Q220 HydrophobicContact CD1-CG 3.88Å; I212-Q220 HydrophobicContact CG1-CG 4.3Å; E213-Q220 WeakPolarHBondContact O-CG 3.42Å; E213-Q220 PolarHBondContact O-NE2 3.09Å; C214-Q220 HydrophobicContact CB-CG 4.1Å; F218-Q220 VanDerWaalsContact C-N 3.33Å; F218-Q220 HydrophobicContact CD1-CG 4.19Å; F218-Q220 HydrophobicContact CE1-CG 4.2Å; F218-Q220 PolarHBondContact O-N 3.28Å; Q220-K222 PolarHBondContact O-N 3.36Å; Q220-L224 HydrophobicContact CB-CB 4.49Å; Q220-L224 WeakPolarHBondContact O-CB 3.25Å; Q220-L224 PolarHBondContact O-N 3.32Å
221	P	98.1	Very high	98.7	Very high	55 Å²	55	31.8 Å²	31.8	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-48	-164.3	25	-34	0	0	0	113.9	E225	P221-E225 WeakPolarHBondContact O-CB 3.48Å; P221-E225 PolarHBondContact O-N 3.1Å
222	K	98.6	Very high	98.7	Very high	107 Å²	107	32 Å²	32	47%	0.465	15%	0.152	S	C	.	.	H	α-helix	trans	-79	-39.2	-176.2	-34.8	168.2	163.6	174.1	0	110.9	Q220 E225 F226 E343 Y344	Q220-K222 PolarHBondContact O-N 3.36Å; K222-E225 PolarHBondContact O-N 3.14Å; K222-F226 WeakPolarHBondContact O-CB 3.5Å; K222-F226 PolarHBondContact O-N 2.93Å; K222-E343 IonicContact NZ-OE1 3.87Å; K222-E343 PolarHBondContact NZ-OE1 3.18Å; K222-E343 IonicContact NZ-OE2 2.76Å; K222-E343 PolarHBondContact NZ-OE2 2.86Å; K222-E343 VanDerWaalsContact NZ-OE2 3.14Å; K222-Y344 VanDerWaalsContact CA-OXT 3.26Å; K222-Y344 WeakPolarHBondContact CA-OXT 3.36Å; K222-Y344 WeakPolarHBondContact CB-OXT 3.42Å; K222-Y344 VanDerWaalsContact CG-OXT 3.22Å; K222-Y344 WeakPolarHBondContact CG-OXT 3.38Å; K222-Y344 PolarHBondContact N-OXT 3.33Å; K222-Y344 VanDerWaalsContact N-OXT 3.09Å
223	L	98.8	Very high	98.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-38.2	177.1	-170.5	55.2	0	0	0	113	L194 I212 F226 C227 Y344	L194-L223 HydrophobicContact CD1-CD1 3.95Å; I212-L223 HydrophobicContact CD1-CD2 3.66Å; I212-L223 HydrophobicContact CD1-CG 4.09Å; I212-L223 HydrophobicContact CG2-CD2 4.39Å; L223-F226 HydrophobicContact CD1-CD1 4.39Å; L223-F226 PolarHBondContact O-N 3.07Å; L223-C227 WeakPolarHBondContact O-CB 3.35Å; L223-C227 PolarHBondContact O-N 2.85Å; L223-C227 PolarHBondContact O-SG 3.36Å; L223-Y344 HydrophobicContact CB-CD2 3.53Å; L223-Y344 HydrophobicContact CB-CE2 4.15Å; L223-Y344 HydrophobicContact CB-CG 3.92Å; L223-Y344 HydrophobicContact CD2-CD1 4.4Å; L223-Y344 HydrophobicContact CD2-CD2 3.78Å; L223-Y344 HydrophobicContact CD2-CE1 4.19Å; L223-Y344 HydrophobicContact CD2-CE2 3.61Å; L223-Y344 HydrophobicContact CD2-CG 4.13Å; L223-Y344 HydrophobicContact CG-CD2 4.27Å; L223-Y344 PolarHBondContact N-OXT 3.47Å; L223-Y344 VanDerWaalsContact N-OXT 3.09Å
224	L	98.6	Very high	98.7	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-44.4	174.4	178.3	60.2	0	0	0	111	Q220 C227 R228 V234 V286	Q220-L224 HydrophobicContact CB-CB 4.49Å; Q220-L224 WeakPolarHBondContact O-CB 3.25Å; Q220-L224 PolarHBondContact O-N 3.32Å; L224-C227 PolarHBondContact O-N 2.88Å; L224-R228 WeakPolarHBondContact O-CB 3.03Å; L224-R228 PolarHBondContact O-N 3.49Å; L224-V234 HydrophobicContact CD1-CB 3.82Å; L224-V234 HydrophobicContact CD1-CG2 3.56Å; L224-V286 HydrophobicContact CD1-CG2 3.75Å; L224-V286 HydrophobicContact CD2-CG2 4.06Å
225	E	98.7	Very high	98.7	Very high	72 Å²	72	32.9 Å²	32.9	34%	0.336	16%	0.158	S	C	.	.	H	α-helix	trans	-65.6	-42.5	177.1	-179.1	54	-155.8	0	0	111.8	P221 K222 C227 R228 Q229	P221-E225 WeakPolarHBondContact O-CB 3.48Å; P221-E225 PolarHBondContact O-N 3.1Å; K222-E225 PolarHBondContact O-N 3.14Å; E225-C227 VanDerWaalsContact C-N 3.35Å; E225-C227 PolarHBondContact O-N 3.16Å; E225-R228 WeakPolarHBondContact O-CB 3.36Å; E225-R228 PolarHBondContact O-N 2.88Å; E225-R228 IonicContact OE2-CZ 3.9Å; E225-R228 IonicContact OE2-NH1 3.71Å; E225-R228 PolarHBondContact OE2-NH1 2.63Å; E225-Q229 VanDerWaalsContact O-CG 3.32Å; E225-Q229 WeakPolarHBondContact O-CG 3.42Å; E225-Q229 PolarHBondContact O-N 3.49Å; E225-Q229 WeakPolarHBondContact OE1-CG 3.26Å; E225-Q229 PolarHBondContact OE1-NE2 2.92Å
226	F	98.9	Very high	98.7	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-45.5	173.6	176.8	-91.5	0	0	0	111.9	R191 L194 E195 L198 K222 L223 R228 Q229 N230	R191-F226 HydrophobicContact CG-CD1 4.4Å; R191-F226 HydrophobicContact CG-CD2 3.87Å; R191-F226 HydrophobicContact CG-CE1 4.38Å; R191-F226 HydrophobicContact CG-CE2 3.82Å; R191-F226 HydrophobicContact CG-CG 4.16Å; R191-F226 HydrophobicContact CG-CZ 4.1Å; L194-F226 HydrophobicContact CB-CE1 3.68Å; L194-F226 HydrophobicContact CB-CZ 4.36Å; L194-F226 HydrophobicContact CD1-CD1 3.89Å; L194-F226 HydrophobicContact CD1-CE1 3.73Å; L194-F226 HydrophobicContact CG-CE1 4.38Å; E195-F226 HydrophobicContact CG-CE2 3.81Å; E195-F226 HydrophobicContact CG-CZ 3.53Å; L198-F226 HydrophobicContact CD1-CE1 4.29Å; L198-F226 HydrophobicContact CD1-CZ 4.04Å; K222-F226 WeakPolarHBondContact O-CB 3.5Å; K222-F226 PolarHBondContact O-N 2.93Å; L223-F226 HydrophobicContact CD1-CD1 4.39Å; L223-F226 PolarHBondContact O-N 3.07Å; F226-R228 VanDerWaalsContact C-N 3.34Å; F226-R228 PolarHBondContact O-N 2.8Å; F226-Q229 PolarHBondContact O-N 3.06Å; F226-N230 PolarHBondContact O-N 3.49Å; F226-N230 PolarHBondContact O-ND2 3.01Å
227	C	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-44	177	-69.9	0	0	0	0	111	L223 L224 E225 Q229 N230 D231 I232 V234	L223-C227 WeakPolarHBondContact O-CB 3.35Å; L223-C227 PolarHBondContact O-N 2.85Å; L223-C227 PolarHBondContact O-SG 3.36Å; L224-C227 PolarHBondContact O-N 2.88Å; E225-C227 VanDerWaalsContact C-N 3.35Å; E225-C227 PolarHBondContact O-N 3.16Å; C227-Q229 PolarHBondContact O-N 3.31Å; C227-N230 CarbonylContact O-C 3.24Å; C227-N230 PolarHBondContact O-N 2.7Å; C227-N230 VanDerWaalsContact O-N 3.11Å; C227-D231 PolarHBondContact O-N 3.45Å; C227-D231 VanDerWaalsContact O-N 3.16Å; C227-I232 CarbonylContact C-O 3.39Å; C227-I232 HydrophobicContact CB-CB 3.92Å; C227-I232 HydrophobicContact CB-CG2 4.26Å; C227-I232 WeakPolarHBondContact CB-O 3.01Å; C227-I232 PolarHBondContact O-N 3.05Å; C227-V234 HydrophobicContact CB-CG2 3.74Å
228	R	98.4	Very high	98.7	Very high	120 Å²	120	35 Å²	35	45%	0.453	17%	0.169	S	C	.	.	H	α-helix	trans	-59.7	-45.7	177.1	-174.3	-176.4	-67.6	133.7	-5.1	112.4	L224 E225 F226 N230 D231	L224-R228 WeakPolarHBondContact O-CB 3.03Å; L224-R228 PolarHBondContact O-N 3.49Å; E225-R228 WeakPolarHBondContact O-CB 3.36Å; E225-R228 PolarHBondContact O-N 2.88Å; E225-R228 IonicContact OE2-CZ 3.9Å; E225-R228 IonicContact OE2-NH1 3.71Å; E225-R228 PolarHBondContact OE2-NH1 2.63Å; F226-R228 VanDerWaalsContact C-N 3.34Å; F226-R228 PolarHBondContact O-N 2.8Å; R228-N230 PolarHBondContact O-N 2.82Å; R228-D231 PolarHBondContact O-N 3.35Å; R228-D231 VanDerWaalsContact O-N 3.14Å
229	Q	98.6	Very high	98.7	Very high	129 Å²	129	34.9 Å²	34.9	60%	0.603	17%	0.169	S	C	*	.	H	α-helix	trans	-62.2	-21.5	178	-72.2	173.3	5	0	0	113.4	E225 F226 C227	E225-Q229 VanDerWaalsContact O-CG 3.32Å; E225-Q229 WeakPolarHBondContact O-CG 3.42Å; E225-Q229 PolarHBondContact O-N 3.49Å; E225-Q229 WeakPolarHBondContact OE1-CG 3.26Å; E225-Q229 PolarHBondContact OE1-NE2 2.92Å; F226-Q229 PolarHBondContact O-N 3.06Å; C227-Q229 PolarHBondContact O-N 3.31Å
230	N	98.6	Very high	98.6	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	16.9	179.8	-68.5	-81.5	0	0	0	112.5	L198 K206 F226 C227 R228 I232	L198-N230 HydrophobicContact CD1-CB 4.06Å; K206-N230 WeakPolarHBondContact CE-O 3.4Å; K206-N230 PolarHBondContact NZ-O 3.24Å; F226-N230 PolarHBondContact O-N 3.49Å; F226-N230 PolarHBondContact O-ND2 3.01Å; C227-N230 CarbonylContact O-C 3.24Å; C227-N230 PolarHBondContact O-N 2.7Å; C227-N230 VanDerWaalsContact O-N 3.11Å; R228-N230 PolarHBondContact O-N 2.82Å; N230-I232 HydrophobicContact CB-CD1 4.13Å; N230-I232 HydrophobicContact CB-CG1 4.07Å; N230-I232 WeakPolarHBondContact O-CG1 3.48Å; N230-I232 PolarHBondContact O-N 3.17Å
231	D	98.6	Very high	98.5	Very high	88 Å²	88	36.3 Å²	36.3	47%	0.471	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	45	-175.5	-52.7	-64.5	0	0	0	113.7	S31 C227 R228	S31-D231 VanDerWaalsContact CB-O 3.26Å; S31-D231 WeakPolarHBondContact CB-O 3.44Å; S31-D231 PolarHBondContact OG-O 2.74Å; C227-D231 PolarHBondContact O-N 3.45Å; C227-D231 VanDerWaalsContact O-N 3.16Å; R228-D231 PolarHBondContact O-N 3.35Å; R228-D231 VanDerWaalsContact O-N 3.14Å
232	I	98.9	Very high	98.4	Very high	7 Å²	7	35 Å²	35	4%	0.036	17%	0.169	C	C	.	.			trans	-106.4	122.7	172.5	-55.4	-177.2	0	0	0	107.4	L194 L198 P207 N210 C227 N230	L194-I232 HydrophobicContact CD2-CD1 4.16Å; L198-I232 HydrophobicContact CD1-CD1 4.35Å; L198-I232 HydrophobicContact CD2-CD1 4.46Å; P207-I232 HydrophobicContact CG-CD1 4.27Å; N210-I232 HydrophobicContact CB-CG2 4.04Å; C227-I232 CarbonylContact C-O 3.39Å; C227-I232 HydrophobicContact CB-CB 3.92Å; C227-I232 HydrophobicContact CB-CG2 4.26Å; C227-I232 WeakPolarHBondContact CB-O 3.01Å; C227-I232 PolarHBondContact O-N 3.05Å; N230-I232 HydrophobicContact CB-CD1 4.13Å; N230-I232 HydrophobicContact CB-CG1 4.07Å; N230-I232 WeakPolarHBondContact O-CG1 3.48Å; N230-I232 PolarHBondContact O-N 3.17Å
233	V	98.9	Very high	98.1	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.109	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.5	176	171.4	0	0	0	0	109.9	I28 L30 I36 V208 S209 N210 V287	I28-V233 HydrophobicContact CD1-CG1 3.72Å; I28-V233 HydrophobicContact CD1-CG2 4.06Å; L30-V233 HydrophobicContact CD2-CB 4.08Å; L30-V233 HydrophobicContact CD2-CG2 3.91Å; I36-V233 HydrophobicContact CG2-CG1 4.39Å; V208-V233 PolarHBondContact O-N 3.47Å; S209-V233 CarbonylContact C-O 3.5Å; S209-V233 WeakPolarHBondContact CA-O 3.23Å; S209-V233 WeakPolarHBondContact CB-O 3.5Å; N210-V233 PolarHBondContact N-O 2.85Å; V233-V287 HydrophobicContact CG1-CG2 3.61Å
234	V	98.9	Very high	97.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128	170.9	173.3	0	0	0	0	109.6	N210 I212 L224 C227 V286 V287	N210-V234 WeakPolarHBondContact O-CA 3.02Å; I212-V234 HydrophobicContact CD1-CG1 3.82Å; I212-V234 HydrophobicContact CD1-CG2 4.34Å; I212-V234 HydrophobicContact CG1-CG1 3.76Å; L224-V234 HydrophobicContact CD1-CB 3.82Å; L224-V234 HydrophobicContact CD1-CG2 3.56Å; C227-V234 HydrophobicContact CB-CG2 3.74Å; V234-V286 HydrophobicContact CB-CG2 4.37Å; V234-V286 HydrophobicContact CG1-CG1 4.06Å; V234-V286 HydrophobicContact CG1-CG2 4.39Å; V234-V287 PolarHBondContact O-N 3.12Å
235	V	98.9	Very high	97.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.2	169.8	-175.8	0	0	0	0	108.1	I36 N210 Q211 I212 Y237 V287 I289	I36-V235 HydrophobicContact CD1-CG2 4.16Å; N210-V235 PolarHBondContact O-N 3.13Å; Q211-V235 CarbonylContact C-O 3.57Å; Q211-V235 WeakPolarHBondContact CA-O 3.31Å; Q211-V235 HydrophobicContact CB-CB 4.04Å; Q211-V235 HydrophobicContact CG-CB 3.93Å; Q211-V235 HydrophobicContact CG-CG1 3.93Å; Q211-V235 WeakPolarHBondContact CG-O 3.41Å; I212-V235 PolarHBondContact N-O 3.16Å; V235-Y237 PolarHBondContact O-N 3.36Å; V235-V287 CarbonylContact C-O 3.42Å; V235-V287 HydrophobicContact CB-CB 4.36Å; V235-V287 HydrophobicContact CG1-CB 4.25Å; V235-V287 HydrophobicContact CG1-CG1 4.06Å; V235-V287 HydrophobicContact CG2-CB 4.06Å; V235-V287 HydrophobicContact CG2-CG1 4.36Å; V235-V287 HydrophobicContact CG2-CG2 4.49Å; V235-I289 HydrophobicContact CG1-CD1 4.08Å; V235-I289 HydrophobicContact CG1-CG1 4.12Å; V235-I289 HydrophobicContact CG1-CG2 4.07Å
236	G	98.8	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	102.4	-179.6	0	0	0	0	0	112.4	I212 P239 V287 I289	I212-G236 CarbonylContact O-C 3.48Å; I212-G236 WeakPolarHBondContact O-CA 3.31Å; G236-P239 WeakPolarHBondContact O-CD 3.41Å; G236-V287 PolarHBondContact N-O 2.7Å; G236-I289 WeakPolarHBondContact O-CG1 3.23Å
237	Y	98.8	Very high	96.8	Very high	25 Å²	25	40.6 Å²	40.6	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	160.7	165.8	79.3	-114.9	0	0	0	110.9	N188 Q211 I212 E213 C214 V235 P239 V327	N188-Y237 VanDerWaalsContact OD1-CE1 3.22Å; N188-Y237 WeakPolarHBondContact OD1-CE1 3.27Å; N188-Y237 PolarHBondContact OD1-OH 3.1Å; Q211-Y237 HydrophobicContact CG-CD1 4.18Å; I212-Y237 VanDerWaalsContact CA-CE1 3.44Å; I212-Y237 PolarHBondContact O-N 3.17Å; E213-Y237 HydrophobicContact CB-CD2 4.23Å; E213-Y237 HydrophobicContact CB-CE1 4.34Å; E213-Y237 HydrophobicContact CB-CE2 3.51Å; E213-Y237 HydrophobicContact CG-CE2 4.1Å; C214-Y237 PolarHBondContact N-O 3.21Å; V235-Y237 PolarHBondContact O-N 3.36Å; Y237-P239 VanDerWaalsContact C-N 3.26Å; Y237-V327 HydrophobicContact CE2-CB 4.11Å; Y237-V327 HydrophobicContact CE2-CG1 4.47Å; Y237-V327 HydrophobicContact CE2-CG2 3.9Å
238	C	98.1	Very high	96.5	Very high	26 Å²	26	43.2 Å²	43.2	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	47.9	40.2	-171.3	-71.1	0	0	0	0	114	H215 L240 G241	H215-C238 PolarHBondContact CD2-O 3.34Å; H215-C238 VanDerWaalsContact CD2-O 3.24Å; C238-L240 PolarHBondContact O-N 3.2Å; C238-G241 PolarHBondContact O-N 3.47Å
239	P	98.5	Very high	96.3	Very high	3 Å²	3	38 Å²	38	2%	0.019	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	-169.4	30.8	-37.6	0	0	0	113.9	G236 Y237 L278 V288 P290	G236-P239 WeakPolarHBondContact O-CD 3.41Å; Y237-P239 VanDerWaalsContact C-N 3.26Å; P239-L278 HydrophobicContact CB-CD2 3.95Å; P239-L278 HydrophobicContact CG-CD2 3.92Å; P239-V288 HydrophobicContact CB-CB 4.11Å; P239-V288 HydrophobicContact CB-CG1 4.1Å; P239-V288 HydrophobicContact CG-CB 4.25Å; P239-P290 HydrophobicContact CG-CB 4.14Å
240	L	98.4	Very high	96.1	Very high	30 Å²	30	33 Å²	33	16%	0.157	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	13.6	177	-61.5	-179.1	0	0	0	113.5	C238 L257 A274 A277 L278 P290	C238-L240 PolarHBondContact O-N 3.2Å; L240-L257 HydrophobicContact CB-CD1 4.44Å; L240-L257 HydrophobicContact CB-CD2 4.4Å; L240-L257 HydrophobicContact CD2-CD2 4.18Å; L240-A274 HydrophobicContact CD1-CB 4.46Å; L240-A274 HydrophobicContact CD2-CB 3.73Å; L240-A277 HydrophobicContact CD2-CB 4.49Å; L240-L278 HydrophobicContact CD2-CD1 4.07Å; L240-L278 HydrophobicContact CD2-CD2 3.94Å; L240-L278 HydrophobicContact CD2-CG 3.7Å; L240-L278 HydrophobicContact CG-CD2 4.28Å; L240-L278 HydrophobicContact CG-CG 4.49Å; L240-P290 HydrophobicContact CD1-CB 3.78Å; L240-P290 HydrophobicContact CG-CB 4.16Å
241	G	96.1	Very high	95.9	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	20%	0.201	C	C	.	.	S	Bend	trans	81.4	34.6	179.1	0	0	0	0	0	114.5	C238	C238-G241 PolarHBondContact O-N 3.47Å
242	S	94.4	Very high	95.6	Very high	27 Å²	27	36 Å²	36	19%	0.189	21%	0.214	C	C	.	.			trans	63.2	-178.3	179.3	85.2	0	0	0	0	115.2	R244 V249	S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact OG-N 3.3Å; S242-V249 VanDerWaalsContact OG-CG2 3.3Å; S242-V249 WeakPolarHBondContact OG-CG2 3.24Å
243	S	93.3	Very high	95.1	Very high	82 Å²	82	35.8 Å²	35.8	57%	0.573	21%	0.213	S	C	*	.			trans	-83.5	-2.8	169.5	67	0	0	0	0	113.5	D245 W248	S243-D245 PolarHBondContact O-N 3.33Å; S243-W248 WeakPolarHBondContact OG-CZ2 3.34Å
244	R	94.5	Very high	94.9	Very high	71 Å²	71	37.8 Å²	37.8	27%	0.268	23%	0.226	S	C	.	.			trans	55.9	34	-173.6	-55.5	-173.3	63.2	79.3	-2.1	114	S242 A246 L251 C253	S242-R244 VanDerWaalsContact C-N 3.28Å; S242-R244 PolarHBondContact OG-N 3.3Å; R244-A246 PolarHBondContact O-N 3.33Å; R244-L251 HydrophobicContact CB-CD2 3.94Å; R244-L251 PolarHBondContact NH2-O 2.93Å; R244-C253 PolarHBondContact NH1-O 3.33Å; R244-C253 PolarHBondContact NH2-O 3.12Å; R244-C253 VanDerWaalsContact NH2-O 3.07Å
245	D	92.3	Very high	94.8	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.134	24%	0.235	C	C	.	.			trans	-71.4	119.3	172.8	-172.3	-50	0	0	0	109.5	K49 S243 S247 W248 V249	K49-D245 IonicContact NZ-OD2 3.46Å; K49-D245 PolarHBondContact NZ-OD2 3.33Å; S243-D245 PolarHBondContact O-N 3.33Å; D245-S247 PolarHBondContact O-N 2.97Å; D245-S247 VanDerWaalsContact OD1-CB 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.3Å; D245-S247 PolarHBondContact OD1-N 2.85Å; D245-S247 PolarHBondContact OD1-OG 3.07Å; D245-W248 HydrophobicContact CB-CZ2 4.43Å; D245-W248 PolarHBondContact O-N 3.15Å; D245-V249 WeakPolarHBondContact O-CB 3.18Å; D245-V249 WeakPolarHBondContact O-CG2 3.13Å; D245-V249 PolarHBondContact O-N 3.31Å
246	A	91.9	Very high	94.7	Very high	77 Å²	77	39.3 Å²	39.3	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.7	-175.3	0	0	0	0	0	114.4	R244 W248 L251	R244-A246 PolarHBondContact O-N 3.33Å; A246-W248 VanDerWaalsContact C-N 3.32Å; A246-L251 HydrophobicContact CB-CD1 3.73Å
247	S	89.8	Confident	94.7	Very high	73 Å²	73	42.1 Å²	42.1	51%	0.51	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.6	179.4	61.3	0	0	0	0	114.3	D245	D245-S247 PolarHBondContact O-N 2.97Å; D245-S247 VanDerWaalsContact OD1-CB 3.31Å; D245-S247 WeakPolarHBondContact OD1-CB 3.3Å; D245-S247 PolarHBondContact OD1-N 2.85Å; D245-S247 PolarHBondContact OD1-OG 3.07Å
248	W	91.4	Very high	94.6	Very high	55 Å²	55	47.7 Å²	47.7	21%	0.208	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.2	-12.1	-179.9	57.5	-91.1	0	0	0	114.8	Y44 S243 D245 A246 V327	Y44-W248 AromaticContact CE1-CZ2 3.92Å; Y44-W248 HydrophobicContact CE1-CZ2 3.92Å; S243-W248 WeakPolarHBondContact OG-CZ2 3.34Å; D245-W248 HydrophobicContact CB-CZ2 4.43Å; D245-W248 PolarHBondContact O-N 3.15Å; A246-W248 VanDerWaalsContact C-N 3.32Å; W248-V327 HydrophobicContact CE3-CG1 4.37Å; W248-V327 HydrophobicContact CE3-CG2 3.9Å; W248-V327 HydrophobicContact CZ3-CG2 3.54Å
249	V	95.4	Very high	94.6	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	27%	0.274	C	S	.	.	S	Bend	trans	-92.7	132.8	179.8	-179.9	0	0	0	0	111.4	S242 D245 L251 F326	S242-V249 VanDerWaalsContact OG-CG2 3.3Å; S242-V249 WeakPolarHBondContact OG-CG2 3.24Å; D245-V249 WeakPolarHBondContact O-CB 3.18Å; D245-V249 WeakPolarHBondContact O-CG2 3.13Å; D245-V249 PolarHBondContact O-N 3.31Å; V249-L251 HydrophobicContact CB-CD2 4.29Å; V249-L251 HydrophobicContact CG1-CD2 4.05Å; V249-L251 PolarHBondContact O-N 3.13Å; V249-F326 CarbonylContact C-O 3Å; V249-F326 WeakPolarHBondContact CA-O 3.33Å; V249-F326 HydrophobicContact CG1-CB 4.03Å; V249-F326 HydrophobicContact CG1-CD1 4.05Å; V249-F326 HydrophobicContact CG1-CG 4.33Å
250	N	94.2	Very high	94.6	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.128	31%	0.312	C	S	.	.			trans	-67.8	100.3	165.4	-176.6	-6	0	0	0	110.5	T252 R325 F326 E328	N250-T252 VanDerWaalsContact C-N 3.27Å; N250-T252 PolarHBondContact ND2-OG1 2.96Å; N250-T252 PolarHBondContact O-N 3.38Å; N250-T252 VanDerWaalsContact OD1-CB 3.32Å; N250-T252 WeakPolarHBondContact OD1-CB 3.45Å; N250-T252 WeakPolarHBondContact OD1-CG2 3.48Å; N250-T252 PolarHBondContact OD1-N 3.25Å; N250-T252 PolarHBondContact OD1-OG1 2.79Å; N250-R325 WeakPolarHBondContact CB-O 3.31Å; N250-F326 PolarHBondContact N-O 2.9Å; N250-E328 HydrophobicContact CB-CG 4.4Å; N250-E328 WeakPolarHBondContact CB-OE2 3.47Å; N250-E328 VanDerWaalsContact ND2-CD 3.34Å; N250-E328 PolarHBondContact ND2-OE1 2.94Å; N250-E328 PolarHBondContact ND2-OE2 3.03Å
251	L	94.3	Very high	94.7	Very high	81 Å²	81	56.5 Å²	56.5	42%	0.424	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.9	-178.3	-63.1	-177.6	0	0	0	114.3	R244 A246 V249 C253	R244-L251 HydrophobicContact CB-CD2 3.94Å; R244-L251 PolarHBondContact NH2-O 2.93Å; A246-L251 HydrophobicContact CB-CD1 3.73Å; V249-L251 HydrophobicContact CB-CD2 4.29Å; V249-L251 HydrophobicContact CG1-CD2 4.05Å; V249-L251 PolarHBondContact O-N 3.13Å; L251-C253 PolarHBondContact O-N 3.13Å
252	T	91.6	Very high	94.8	Very high	118 Å²	118	56.4 Å²	56.4	72%	0.724	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.9	176.3	67.6	0	0	0	0	111.8	N250	N250-T252 VanDerWaalsContact C-N 3.27Å; N250-T252 PolarHBondContact ND2-OG1 2.96Å; N250-T252 PolarHBondContact O-N 3.38Å; N250-T252 VanDerWaalsContact OD1-CB 3.32Å; N250-T252 WeakPolarHBondContact OD1-CB 3.45Å; N250-T252 WeakPolarHBondContact OD1-CG2 3.48Å; N250-T252 PolarHBondContact OD1-N 3.25Å; N250-T252 PolarHBondContact OD1-OG1 2.79Å
253	C	89.1	Confident	95	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.02	32%	0.322	C	S	.	.	S	Bend	trans	-79.5	129.3	174	-171.8	0	0	0	0	109.5	R244 L251 I324 F326	R244-C253 PolarHBondContact NH1-O 3.33Å; R244-C253 PolarHBondContact NH2-O 3.12Å; R244-C253 VanDerWaalsContact NH2-O 3.07Å; L251-C253 PolarHBondContact O-N 3.13Å; C253-I324 HydrophobicContact CB-CG2 4.08Å; C253-F326 HydrophobicContact CB-CD1 3.96Å; C253-F326 HydrophobicContact CB-CE1 3.45Å; C253-F326 VanDerWaalsContact CB-CE1 3.45Å; C253-F326 HydrophobicContact CB-CZ 4.26Å
254	P	93.6	Very high	95.3	Very high	59 Å²	59	56.5 Å²	56.5	38%	0.383	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.9	160.2	-176.1	26.3	-35.2	0	0	0	111.6	Y217 L256 K322	Y217-P254 HydrophobicContact CE2-CG 4.07Å; P254-L256 PolarHBondContact O-N 3.2Å; P254-K322 VanDerWaalsContact CG-NZ 3.33Å
255	P	96.6	Very high	95.5	Very high	32 Å²	32	53.5 Å²	53.5	21%	0.208	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56.2	122	176.6	-22.5	33.6	0	0	0	111.4	L257 E258	P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 3.33Å; P255-E258 HydrophobicContact CB-CB 4.25Å; P255-E258 HydrophobicContact CB-CG 3.97Å; P255-E258 PolarHBondContact O-N 3.11Å
256	L	97.7	Very high	95.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.6	-43.9	-178.9	174.9	71	0	0	0	112	H215 P216 Y217 P254 E258 D259 L262 F326	H215-L256 HydrophobicContact CB-CD2 3.83Å; P216-L256 HydrophobicContact CB-CD1 4Å; P216-L256 HydrophobicContact CG-CD1 4.27Å; Y217-L256 HydrophobicContact CD1-CD1 3.89Å; Y217-L256 HydrophobicContact CD2-CB 4.29Å; Y217-L256 HydrophobicContact CD2-CD1 3.79Å; Y217-L256 HydrophobicContact CE1-CD1 4.2Å; Y217-L256 HydrophobicContact CE2-CB 4.34Å; Y217-L256 HydrophobicContact CE2-CD1 4.09Å; Y217-L256 HydrophobicContact CG-CD1 3.69Å; P254-L256 PolarHBondContact O-N 3.2Å; L256-E258 PolarHBondContact O-N 2.74Å; L256-E258 VanDerWaalsContact O-N 3.16Å; L256-D259 VanDerWaalsContact O-CB 3.25Å; L256-D259 WeakPolarHBondContact O-CB 3.46Å; L256-D259 PolarHBondContact O-N 2.94Å; L256-D259 VanDerWaalsContact O-N 3.09Å; L256-L262 HydrophobicContact CD1-CD1 3.92Å; L256-L262 HydrophobicContact CG-CD1 4.13Å; L256-F326 HydrophobicContact CB-CE2 4.26Å; L256-F326 HydrophobicContact CB-CZ 4.4Å
257	L	97.9	Very high	96.1	Very high	60 Å²	60	56.6 Å²	56.6	31%	0.314	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-73.1	-6.5	-172.9	-56.1	-174.8	0	0	0	113.8	L240 P255 S273 A274	L240-L257 HydrophobicContact CB-CD1 4.44Å; L240-L257 HydrophobicContact CB-CD2 4.4Å; L240-L257 HydrophobicContact CD2-CD2 4.18Å; P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 3.33Å; L257-S273 WeakPolarHBondContact O-CB 3.47Å; L257-S273 PolarHBondContact O-OG 3.13Å; L257-A274 HydrophobicContact CD1-CB 4.27Å; L257-A274 HydrophobicContact CD2-CB 4.13Å
258	E	98	Very high	96.5	Very high	142 Å²	142	59.3 Å²	59.3	66%	0.664	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-97.6	-1	174.7	-64.8	173.2	-160.9	0	0	112.3	P255 L256 E260	P255-E258 HydrophobicContact CB-CB 4.25Å; P255-E258 HydrophobicContact CB-CG 3.97Å; P255-E258 PolarHBondContact O-N 3.11Å; L256-E258 PolarHBondContact O-N 2.74Å; L256-E258 VanDerWaalsContact O-N 3.16Å; E258-E260 PolarHBondContact O-N 3.17Å
259	D	98.5	Very high	96.8	Very high	20 Å²	20	59.4 Å²	59.4	11%	0.107	31%	0.305	C	S	.	.			trans	-57.7	125.9	176.5	-176.5	-82.3	0	0	0	111.3	Y217 L256 L261 L262 V263 L320	Y217-D259 HydrophobicContact CE1-CB 4.33Å; Y217-D259 VanDerWaalsContact CE1-OD2 3.31Å; Y217-D259 WeakPolarHBondContact CE1-OD2 3.27Å; Y217-D259 PolarHBondContact OH-OD2 2.98Å; L256-D259 VanDerWaalsContact O-CB 3.25Å; L256-D259 WeakPolarHBondContact O-CB 3.46Å; L256-D259 PolarHBondContact O-N 2.94Å; L256-D259 VanDerWaalsContact O-N 3.09Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 2.84Å; D259-L261 WeakPolarHBondContact OD1-CA 2.94Å; D259-L261 VanDerWaalsContact OD1-CB 3.28Å; D259-L261 WeakPolarHBondContact OD1-CB 3.22Å; D259-L261 PolarHBondContact OD1-N 3.12Å; D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.01Å; D259-L262 PolarHBondContact O-N 3.27Å; D259-L262 PolarHBondContact OD1-N 2.81Å; D259-L262 VanDerWaalsContact OD1-N 3.16Å; D259-V263 WeakPolarHBondContact O-CG2 3.35Å; D259-V263 PolarHBondContact O-N 2.94Å; D259-L320 WeakPolarHBondContact OD1-CD1 3.37Å
260	E	98.6	Very high	97	Very high	172 Å²	172	66.3 Å²	66.3	80%	0.804	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-35.3	-173	-64.4	-175.7	172.4	0	0	112.6	E258 V263 S264	E258-E260 PolarHBondContact O-N 3.17Å; E260-V263 PolarHBondContact O-N 3.36Å; E260-S264 VanDerWaalsContact O-CB 3.29Å; E260-S264 WeakPolarHBondContact O-CB 3.3Å; E260-S264 PolarHBondContact O-N 3.01Å; E260-S264 PolarHBondContact O-OG 2.96Å
261	L	98.8	Very high	97.2	Very high	51 Å²	51	66.6 Å²	66.6	27%	0.267	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-48.7	177.3	178.6	64.7	0	0	0	109.8	D259 V263 S264 I265 A316 L320	D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 2.84Å; D259-L261 WeakPolarHBondContact OD1-CA 2.94Å; D259-L261 VanDerWaalsContact OD1-CB 3.28Å; D259-L261 WeakPolarHBondContact OD1-CB 3.22Å; D259-L261 PolarHBondContact OD1-N 3.12Å; L261-V263 VanDerWaalsContact C-N 3.29Å; L261-V263 PolarHBondContact O-N 2.91Å; L261-S264 PolarHBondContact O-N 3.01Å; L261-S264 VanDerWaalsContact O-N 3.15Å; L261-S264 PolarHBondContact O-OG 2.94Å; L261-I265 HydrophobicContact CD1-CD1 3.89Å; L261-I265 HydrophobicContact CD1-CG1 4.19Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 WeakPolarHBondContact O-CG1 3.32Å; L261-I265 PolarHBondContact O-N 3.25Å; L261-A316 HydrophobicContact CD2-CB 3.83Å; L261-A316 WeakPolarHBondContact CD2-O 3.45Å; L261-L320 HydrophobicContact CB-CD1 4.43Å; L261-L320 HydrophobicContact CB-CD2 4.29Å; L261-L320 HydrophobicContact CD2-CD1 4.08Å; L261-L320 HydrophobicContact CD2-CD2 3.91Å; L261-L320 HydrophobicContact CD2-CG 3.98Å
262	L	98.8	Very high	97.4	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-40.2	177.5	-62.2	-176.8	0	0	0	112.1	P216 L256 D259 G266 V276 A277 I317 L320	P216-L262 HydrophobicContact CB-CD1 4.47Å; P216-L262 HydrophobicContact CG-CD1 4.23Å; P216-L262 HydrophobicContact CG-CD2 4.25Å; L256-L262 HydrophobicContact CD1-CD1 3.92Å; L256-L262 HydrophobicContact CG-CD1 4.13Å; D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.01Å; D259-L262 PolarHBondContact O-N 3.27Å; D259-L262 PolarHBondContact OD1-N 2.81Å; D259-L262 VanDerWaalsContact OD1-N 3.16Å; L262-G266 PolarHBondContact O-N 3.45Å; L262-V276 HydrophobicContact CD2-CG1 3.87Å; L262-A277 HydrophobicContact CD1-CB 4.47Å; L262-I317 HydrophobicContact CD2-CD1 4.3Å; L262-I317 HydrophobicContact CD2-CG1 3.98Å; L262-I317 HydrophobicContact CD2-CG2 4.05Å; L262-L320 HydrophobicContact CD2-CD1 3.98Å; L262-L320 HydrophobicContact CG-CD1 3.94Å
263	V	98.8	Very high	97.7	Very high	51 Å²	51	60.1 Å²	60.1	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-43.6	175.3	170.8	0	0	0	0	111.2	D259 E260 L261 G266 K267	D259-V263 WeakPolarHBondContact O-CG2 3.35Å; D259-V263 PolarHBondContact O-N 2.94Å; E260-V263 PolarHBondContact O-N 3.36Å; L261-V263 VanDerWaalsContact C-N 3.29Å; L261-V263 PolarHBondContact O-N 2.91Å; V263-G266 PolarHBondContact O-N 2.7Å; V263-K267 WeakPolarHBondContact O-CG 3.36Å; V263-K267 PolarHBondContact O-N 2.91Å
264	S	98.8	Very high	98.2	Very high	61 Å²	61	60.5 Å²	60.5	43%	0.427	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-43.6	-179.6	74.3	0	0	0	0	112.5	E260 L261 G266 K267 K268	E260-S264 VanDerWaalsContact O-CB 3.29Å; E260-S264 WeakPolarHBondContact O-CB 3.3Å; E260-S264 PolarHBondContact O-N 3.01Å; E260-S264 PolarHBondContact O-OG 2.96Å; L261-S264 PolarHBondContact O-N 3.01Å; L261-S264 VanDerWaalsContact O-N 3.15Å; L261-S264 PolarHBondContact O-OG 2.94Å; S264-G266 VanDerWaalsContact C-N 3.32Å; S264-K267 PolarHBondContact O-N 3.24Å; S264-K268 PolarHBondContact O-N 3.07Å; S264-K268 VanDerWaalsContact O-N 3.16Å
265	I	98.8	Very high	98.4	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-40.9	174.5	-65.9	173.1	0	0	0	109.6	L261 K267 K268 Y269 V276 L309 E313 I317	L261-I265 HydrophobicContact CD1-CD1 3.89Å; L261-I265 HydrophobicContact CD1-CG1 4.19Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 WeakPolarHBondContact O-CG1 3.32Å; L261-I265 PolarHBondContact O-N 3.25Å; I265-K267 PolarHBondContact O-N 2.81Å; I265-K268 WeakPolarHBondContact O-CB 3.35Å; I265-K268 PolarHBondContact O-N 2.82Å; I265-K268 VanDerWaalsContact O-N 3.16Å; I265-Y269 HydrophobicContact CG2-CD2 3.94Å; I265-Y269 HydrophobicContact CG2-CE2 3.91Å; I265-Y269 WeakPolarHBondContact O-CD2 3.3Å; I265-Y269 PolarHBondContact O-N 2.82Å; I265-V276 HydrophobicContact CB-CG1 4.16Å; I265-V276 HydrophobicContact CB-CG2 4.39Å; I265-V276 HydrophobicContact CG2-CG1 3.76Å; I265-V276 HydrophobicContact CG2-CG2 3.92Å; I265-L309 HydrophobicContact CG2-CD2 3.61Å; I265-E313 HydrophobicContact CD1-CB 4.2Å; I265-E313 HydrophobicContact CD1-CG 4.1Å; I265-E313 HydrophobicContact CG1-CG 4.34Å; I265-I317 HydrophobicContact CD1-CD1 3.76Å; I265-I317 HydrophobicContact CD1-CG1 3.72Å
266	G	98.6	Very high	98.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.4	-49.7	174.9	0	0	0	0	0	111.8	L262 V263 S264 K268 Y269 N270 K271	L262-G266 PolarHBondContact O-N 3.45Å; V263-G266 PolarHBondContact O-N 2.7Å; S264-G266 VanDerWaalsContact C-N 3.32Å; G266-K268 VanDerWaalsContact C-N 3.31Å; G266-K268 PolarHBondContact O-N 2.76Å; G266-Y269 PolarHBondContact O-N 2.89Å; G266-Y269 VanDerWaalsContact O-N 3.16Å; G266-N270 PolarHBondContact O-N 3.46Å; G266-K271 CarbonylContact C-O 3.56Å; G266-K271 WeakPolarHBondContact CA-O 3.46Å; G266-K271 PolarHBondContact O-N 2.96Å
267	K	98.6	Very high	98.6	Very high	167 Å²	167	56.5 Å²	56.5	73%	0.726	29%	0.285	S	S	*	.	H	α-helix	trans	-56.9	-41.8	176.6	-71.8	174.5	-178.5	175.7	0	112.6	V263 S264 I265 Y269 N270	V263-K267 WeakPolarHBondContact O-CG 3.36Å; V263-K267 PolarHBondContact O-N 2.91Å; S264-K267 PolarHBondContact O-N 3.24Å; I265-K267 PolarHBondContact O-N 2.81Å; K267-Y269 VanDerWaalsContact C-N 3.27Å; K267-Y269 PolarHBondContact O-N 3.33Å; K267-N270 PolarHBondContact O-N 2.86Å
268	K	98.5	Very high	98.6	Very high	129 Å²	129	53.6 Å²	53.6	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-57.6	-38.7	178.6	178.4	-176.4	168	-170.7	0	112.5	S264 I265 G266 E313	S264-K268 PolarHBondContact O-N 3.07Å; S264-K268 VanDerWaalsContact O-N 3.16Å; I265-K268 WeakPolarHBondContact O-CB 3.35Å; I265-K268 PolarHBondContact O-N 2.82Å; I265-K268 VanDerWaalsContact O-N 3.16Å; G266-K268 VanDerWaalsContact C-N 3.31Å; G266-K268 PolarHBondContact O-N 2.76Å; K268-E313 VanDerWaalsContact CD-OE1 3.3Å; K268-E313 WeakPolarHBondContact CD-OE1 3.3Å; K268-E313 WeakPolarHBondContact CE-OE1 3.49Å; K268-E313 IonicContact NZ-OE1 2.67Å; K268-E313 PolarHBondContact NZ-OE1 3.3Å; K268-E313 IonicContact NZ-OE2 3.36Å
269	Y	98.4	Very high	98.7	Very high	57 Å²	57	47.3 Å²	47.3	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-98.7	5	-178.2	-65.6	-73	0	0	0	114.2	I265 G266 K267 K271 F307 L309 E313	I265-Y269 HydrophobicContact CG2-CD2 3.94Å; I265-Y269 HydrophobicContact CG2-CE2 3.91Å; I265-Y269 WeakPolarHBondContact O-CD2 3.3Å; I265-Y269 PolarHBondContact O-N 2.82Å; G266-Y269 PolarHBondContact O-N 2.89Å; G266-Y269 VanDerWaalsContact O-N 3.16Å; K267-Y269 VanDerWaalsContact C-N 3.27Å; K267-Y269 PolarHBondContact O-N 3.33Å; Y269-K271 PolarHBondContact O-N 3.42Å; Y269-F307 HydrophobicContact CD1-CB 4.42Å; Y269-F307 HydrophobicContact CD1-CD2 4.1Å; Y269-F307 HydrophobicContact CD2-CD2 4.1Å; Y269-F307 HydrophobicContact CD2-CE2 4.29Å; Y269-F307 AromaticContact CG-CD2 3.83Å; Y269-F307 HydrophobicContact CG-CD2 3.83Å; Y269-F307 HydrophobicContact CG-CE2 4.37Å; Y269-L309 HydrophobicContact CE2-CD2 4.21Å; Y269-E313 VanDerWaalsContact CE2-OE1 3.32Å; Y269-E313 WeakPolarHBondContact CE2-OE1 3.45Å; Y269-E313 WeakPolarHBondContact CE2-OE2 3.46Å; Y269-E313 VanDerWaalsContact OH-CD 3.32Å; Y269-E313 PolarHBondContact OH-OE1 2.99Å; Y269-E313 PolarHBondContact OH-OE2 2.89Å
270	N	98.3	Very high	98.7	Very high	155 Å²	155	46.4 Å²	46.4	83%	0.829	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	43.9	-168.2	-167.8	43.8	0	0	0	112.3	G266 K267	G266-N270 PolarHBondContact O-N 3.46Å; K267-N270 PolarHBondContact O-N 2.86Å
271	K	98.6	Very high	98.7	Very high	29 Å²	29	38.2 Å²	38.2	13%	0.126	20%	0.196	C	C	.	.			trans	-123.1	160.2	179.8	-64.7	-65.8	175.1	171.4	0	110.7	G266 Y269 Q275 Q303 D306 F307	G266-K271 CarbonylContact C-O 3.56Å; G266-K271 WeakPolarHBondContact CA-O 3.46Å; G266-K271 PolarHBondContact O-N 2.96Å; Y269-K271 PolarHBondContact O-N 3.42Å; K271-Q275 HydrophobicContact CB-CB 4.1Å; K271-Q275 HydrophobicContact CD-CB 4.37Å; K271-Q303 PolarHBondContact NZ-O 3.25Å; K271-D306 WeakPolarHBondContact CE-OD1 3.34Å; K271-D306 IonicContact NZ-OD1 3.89Å; K271-D306 PolarHBondContact NZ-OD1 3.4Å; K271-D306 IonicContact NZ-OD2 2.7Å; K271-D306 PolarHBondContact NZ-OD2 3.42Å; K271-F307 HydrophobicContact CD-CD1 4.14Å; K271-F307 HydrophobicContact CD-CE1 4.05Å; K271-F307 HydrophobicContact CG-CD1 4.04Å; K271-F307 HydrophobicContact CG-CE1 3.88Å; K271-F307 HydrophobicContact CG-CE2 4.45Å; K271-F307 HydrophobicContact CG-CG 4.38Å; K271-F307 HydrophobicContact CG-CZ 4.11Å
272	S	98.6	Very high	98.7	Very high	44 Å²	44	35.8 Å²	35.8	31%	0.308	18%	0.184	S	C	.	.			trans	-79	158.5	170.3	62.2	0	0	0	0	111.7	A274 Q275 V276	S272-A274 PolarHBondContact O-N 2.74Å; S272-Q275 PolarHBondContact O-N 2.87Å; S272-Q275 VanDerWaalsContact O-N 3.09Å; S272-Q275 WeakPolarHBondContact OG-CG 3.31Å; S272-Q275 PolarHBondContact OG-N 3.09Å; S272-Q275 PolarHBondContact OG-OE1 3.31Å; S272-Q275 VanDerWaalsContact OG-OE1 3.04Å; S272-V276 PolarHBondContact O-N 2.98Å; S272-V276 VanDerWaalsContact O-N 3.09Å
273	S	98.5	Very high	98.7	Very high	19 Å²	19	37.8 Å²	37.8	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-30.9	170.6	51.8	0	0	0	0	112.4	L257 V276 A277	L257-S273 WeakPolarHBondContact O-CB 3.47Å; L257-S273 PolarHBondContact O-OG 3.13Å; S273-V276 PolarHBondContact O-N 3.33Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.15Å
274	A	98.7	Very high	98.6	Very high	11 Å²	11	37 Å²	37	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-47.4	173.1	0	0	0	0	0	112.2	L240 L257 S272 V276 A277 L278	L240-A274 HydrophobicContact CD1-CB 4.46Å; L240-A274 HydrophobicContact CD2-CB 3.73Å; L257-A274 HydrophobicContact CD1-CB 4.27Å; L257-A274 HydrophobicContact CD2-CB 4.13Å; S272-A274 PolarHBondContact O-N 2.74Å; A274-V276 VanDerWaalsContact C-N 3.31Å; A274-V276 PolarHBondContact O-N 3.17Å; A274-A277 PolarHBondContact O-N 3.2Å; A274-L278 VanDerWaalsContact O-CG 3.27Å; A274-L278 WeakPolarHBondContact O-CG 3.49Å; A274-L278 PolarHBondContact O-N 3.32Å
275	Q	98.9	Very high	98.6	Very high	10 Å²	10	36 Å²	36	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-37.3	176.7	-75.1	163	-46.7	0	0	111.8	K271 S272 R279 H300 Q303 I304 F307	K271-Q275 HydrophobicContact CB-CB 4.1Å; K271-Q275 HydrophobicContact CD-CB 4.37Å; S272-Q275 PolarHBondContact O-N 2.87Å; S272-Q275 VanDerWaalsContact O-N 3.09Å; S272-Q275 WeakPolarHBondContact OG-CG 3.31Å; S272-Q275 PolarHBondContact OG-N 3.09Å; S272-Q275 PolarHBondContact OG-OE1 3.31Å; S272-Q275 VanDerWaalsContact OG-OE1 3.04Å; Q275-R279 VanDerWaalsContact O-CB 3.22Å; Q275-R279 WeakPolarHBondContact O-CB 3.5Å; Q275-R279 PolarHBondContact O-N 3.05Å; Q275-H300 WeakPolarHBondContact CG-O 3.34Å; Q275-H300 PolarHBondContact NE2-O 3.27Å; Q275-Q303 PolarHBondContact NE2-O 3.37Å; Q275-I304 HydrophobicContact CB-CG2 4.01Å; Q275-I304 HydrophobicContact CG-CG2 3.99Å; Q275-F307 HydrophobicContact CB-CE1 4.43Å
276	V	98.9	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-47.8	174.4	176.5	0	0	0	0	111.2	L262 I265 S272 S273 A274 L278 R279 F280 L309 I317	L262-V276 HydrophobicContact CD2-CG1 3.87Å; I265-V276 HydrophobicContact CB-CG1 4.16Å; I265-V276 HydrophobicContact CB-CG2 4.39Å; I265-V276 HydrophobicContact CG2-CG1 3.76Å; I265-V276 HydrophobicContact CG2-CG2 3.92Å; S272-V276 PolarHBondContact O-N 2.98Å; S272-V276 VanDerWaalsContact O-N 3.09Å; S273-V276 PolarHBondContact O-N 3.33Å; A274-V276 VanDerWaalsContact C-N 3.31Å; A274-V276 PolarHBondContact O-N 3.17Å; V276-L278 VanDerWaalsContact C-N 3.33Å; V276-L278 PolarHBondContact O-N 3.05Å; V276-R279 PolarHBondContact O-N 2.94Å; V276-F280 WeakPolarHBondContact O-CB 3.48Å; V276-F280 PolarHBondContact O-N 2.83Å; V276-L309 HydrophobicContact CG1-CD2 4.22Å; V276-I317 HydrophobicContact CG1-CD1 3.68Å
277	A	98.8	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.8	0	0	0	0	0	112.6	P216 L240 L262 S273 A274 N281	P216-A277 HydrophobicContact CG-CB 4.2Å; L240-A277 HydrophobicContact CD2-CB 4.49Å; L262-A277 HydrophobicContact CD1-CB 4.47Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.15Å; A274-A277 PolarHBondContact O-N 3.2Å; A277-N281 PolarHBondContact O-N 3.32Å
278	L	98.9	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.4	-47.5	175.1	-67.5	171.5	0	0	0	111.7	P239 L240 A274 V276 F280 N281 V282 V288 P290 N301 I304	P239-L278 HydrophobicContact CB-CD2 3.95Å; P239-L278 HydrophobicContact CG-CD2 3.92Å; L240-L278 HydrophobicContact CD2-CD1 4.07Å; L240-L278 HydrophobicContact CD2-CD2 3.94Å; L240-L278 HydrophobicContact CD2-CG 3.7Å; L240-L278 HydrophobicContact CG-CD2 4.28Å; L240-L278 HydrophobicContact CG-CG 4.49Å; A274-L278 VanDerWaalsContact O-CG 3.27Å; A274-L278 WeakPolarHBondContact O-CG 3.49Å; A274-L278 PolarHBondContact O-N 3.32Å; V276-L278 VanDerWaalsContact C-N 3.33Å; V276-L278 PolarHBondContact O-N 3.05Å; L278-F280 VanDerWaalsContact C-N 3.27Å; L278-F280 PolarHBondContact O-N 2.96Å; L278-N281 PolarHBondContact O-N 3.4Å; L278-V282 WeakPolarHBondContact O-CG2 3.01Å; L278-V282 PolarHBondContact O-N 3.24Å; L278-V288 HydrophobicContact CB-CG2 4.48Å; L278-V288 HydrophobicContact CD2-CB 3.86Å; L278-V288 HydrophobicContact CD2-CG1 4.3Å; L278-V288 HydrophobicContact CD2-CG2 3.76Å; L278-P290 HydrophobicContact CD1-CB 4.29Å; L278-P290 HydrophobicContact CD1-CG 4.03Å; L278-P290 HydrophobicContact CD2-CB 3.91Å; L278-P290 HydrophobicContact CD2-CG 3.78Å; L278-N301 HydrophobicContact CD1-CB 3.94Å; L278-I304 HydrophobicContact CB-CD1 3.97Å; L278-I304 HydrophobicContact CB-CG2 3.99Å; L278-I304 HydrophobicContact CD1-CG2 4.36Å
279	R	98.8	Very high	98.6	Very high	9 Å²	9	21.9 Å²	21.9	3%	0.034	12%	0.122	C	C	.	.	H	α-helix	trans	-58.2	-41.3	177.9	178.8	67.2	-159.6	-172.9	-3.9	111.6	Q275 V276 N281 V282 Q283 I304 F307 L309	Q275-R279 VanDerWaalsContact O-CB 3.22Å; Q275-R279 WeakPolarHBondContact O-CB 3.5Å; Q275-R279 PolarHBondContact O-N 3.05Å; V276-R279 PolarHBondContact O-N 2.94Å; R279-N281 PolarHBondContact O-N 3.36Å; R279-V282 PolarHBondContact O-N 3.24Å; R279-Q283 WeakPolarHBondContact O-CB 3.39Å; R279-Q283 PolarHBondContact O-N 3.09Å; R279-I304 WeakPolarHBondContact CD-O 3.41Å; R279-I304 PolarHBondContact NH1-O 3.39Å; R279-I304 VanDerWaalsContact NH1-O 3.12Å; R279-F307 HydrophobicContact CB-CE1 4.02Å; R279-F307 HydrophobicContact CB-CE2 4.03Å; R279-F307 HydrophobicContact CB-CZ 3.46Å; R279-F307 VanDerWaalsContact CB-CZ 3.46Å; R279-F307 WeakPolarHBondContact CD-O 3.44Å; R279-F307 HydrophobicContact CG-CD2 4.42Å; R279-F307 HydrophobicContact CG-CE1 4.21Å; R279-F307 HydrophobicContact CG-CE2 3.83Å; R279-F307 HydrophobicContact CG-CZ 3.7Å; R279-F307 PolarHBondContact NE-O 2.86Å; R279-F307 VanDerWaalsContact NE-O 3.12Å; R279-F307 PolarHBondContact NH1-O 3.33Å; R279-L309 HydrophobicContact CB-CD1 4.26Å; R279-L309 HydrophobicContact CG-CD1 3.95Å; R279-L309 HydrophobicContact CG-CG 3.9Å
280	F	98.9	Very high	98.6	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-53.4	-51.9	176	165.7	-104.5	0	0	0	112	P216 T219 V276 L278 R284 L309 M314 I317 E318	P216-F280 HydrophobicContact CG-CD1 4.06Å; P216-F280 HydrophobicContact CG-CE1 4.47Å; T219-F280 HydrophobicContact CG2-CE1 4.32Å; T219-F280 HydrophobicContact CG2-CZ 4.24Å; V276-F280 WeakPolarHBondContact O-CB 3.48Å; V276-F280 PolarHBondContact O-N 2.83Å; L278-F280 VanDerWaalsContact C-N 3.27Å; L278-F280 PolarHBondContact O-N 2.96Å; F280-R284 WeakPolarHBondContact O-CG 3.5Å; F280-R284 PolarHBondContact O-N 2.67Å; F280-L309 HydrophobicContact CB-CD1 3.91Å; F280-M314 HydrophobicContact CD2-CE 3.75Å; F280-M314 HydrophobicContact CD2-SD 3.82Å; F280-M314 HydrophobicContact CE2-CE 4.05Å; F280-M314 WeakPolarHBondContact O-CE 3.33Å; F280-I317 HydrophobicContact CB-CD1 4.39Å; F280-I317 HydrophobicContact CB-CG2 4.05Å; F280-I317 HydrophobicContact CD1-CG2 3.94Å; F280-I317 HydrophobicContact CD2-CB 3.85Å; F280-I317 HydrophobicContact CD2-CG2 3.47Å; F280-I317 VanDerWaalsContact CD2-CG2 3.47Å; F280-I317 HydrophobicContact CE1-CG2 4.26Å; F280-I317 HydrophobicContact CE2-CB 4.12Å; F280-I317 HydrophobicContact CE2-CG2 3.82Å; F280-I317 HydrophobicContact CG-CB 4.37Å; F280-I317 HydrophobicContact CG-CG2 3.53Å; F280-I317 HydrophobicContact CZ-CG2 4.2Å; F280-E318 HydrophobicContact CE2-CB 4.1Å; F280-E318 HydrophobicContact CZ-CB 4.19Å
281	N	98.8	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-45.8	179.9	-88.9	-36.2	0	0	0	112.1	C214 A277 L278 R279 Q283 R284 G285 V286 V288	C214-N281 PolarHBondContact O-ND2 3.48Å; C214-N281 PolarHBondContact SG-OD1 3.26Å; C214-N281 VanDerWaalsContact SG-OD1 3.4Å; A277-N281 PolarHBondContact O-N 3.32Å; L278-N281 PolarHBondContact O-N 3.4Å; R279-N281 PolarHBondContact O-N 3.36Å; N281-Q283 VanDerWaalsContact C-N 3.32Å; N281-Q283 PolarHBondContact O-N 2.81Å; N281-R284 VanDerWaalsContact O-CG 3.29Å; N281-R284 WeakPolarHBondContact O-CG 3.38Å; N281-R284 PolarHBondContact O-N 3.23Å; N281-R284 PolarHBondContact OD1-NE 3.4Å; N281-R284 PolarHBondContact OD1-NH2 2.8Å; N281-G285 PolarHBondContact O-N 2.97Å; N281-V286 CarbonylContact C-O 3.43Å; N281-V286 HydrophobicContact CB-CB 3.96Å; N281-V286 HydrophobicContact CB-CG1 4.06Å; N281-V286 WeakPolarHBondContact O-CB 3.45Å; N281-V286 PolarHBondContact O-N 3.3Å; N281-V288 HydrophobicContact CB-CG1 3.32Å
282	V	98.5	Very high	98.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-43.4	180	169.3	0	0	0	0	111.4	L38 L278 R279 R284 G285 V286 V288 I304 F305	L38-V282 HydrophobicContact CB-CG1 4.15Å; L38-V282 HydrophobicContact CD1-CG1 4.03Å; L38-V282 HydrophobicContact CD2-CG1 4.41Å; L38-V282 HydrophobicContact CG-CG1 4.43Å; L278-V282 WeakPolarHBondContact O-CG2 3.01Å; L278-V282 PolarHBondContact O-N 3.24Å; R279-V282 PolarHBondContact O-N 3.24Å; V282-R284 VanDerWaalsContact C-N 3.26Å; V282-R284 PolarHBondContact O-N 3.02Å; V282-G285 PolarHBondContact O-N 3.1Å; V282-V286 WeakPolarHBondContact CA-O 3.38Å; V282-V288 HydrophobicContact CG2-CG1 4.26Å; V282-V288 HydrophobicContact CG2-CG2 3.54Å; V282-I304 HydrophobicContact CG2-CD1 3.84Å; V282-F305 HydrophobicContact CG1-CE1 3.93Å
283	Q	98.6	Very high	98.2	Very high	42 Å²	42	14.4 Å²	14.4	20%	0.196	8%	0.079	C	C	.	.	H	α-helix	trans	-67.6	-24.5	-177.4	-168.5	168	-64.9	0	0	113.3	R279 N281 L309 M314	R279-Q283 WeakPolarHBondContact O-CB 3.39Å; R279-Q283 PolarHBondContact O-N 3.09Å; N281-Q283 VanDerWaalsContact C-N 3.32Å; N281-Q283 PolarHBondContact O-N 2.81Å; Q283-L309 PolarHBondContact NE2-O 3.26Å; Q283-M314 HydrophobicContact CB-CE 4.26Å; Q283-M314 HydrophobicContact CB-SD 4.24Å; Q283-M314 HydrophobicContact CG-SD 4.39Å
284	R	98	Very high	98.1	Very high	35 Å²	35	14.1 Å²	14.1	13%	0.132	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.4	173.5	71.8	-172.7	-164.1	143.1	10.7	113.8	C214 T219 F280 N281 V282 V286 M314	C214-R284 PolarHBondContact SG-NH2 3.24Å; T219-R284 PolarHBondContact O-NH1 3.02Å; T219-R284 VanDerWaalsContact O-NH1 3.11Å; T219-R284 PolarHBondContact O-NH2 3.29Å; F280-R284 WeakPolarHBondContact O-CG 3.5Å; F280-R284 PolarHBondContact O-N 2.67Å; N281-R284 VanDerWaalsContact O-CG 3.29Å; N281-R284 WeakPolarHBondContact O-CG 3.38Å; N281-R284 PolarHBondContact O-N 3.23Å; N281-R284 PolarHBondContact OD1-NE 3.4Å; N281-R284 PolarHBondContact OD1-NH2 2.8Å; V282-R284 VanDerWaalsContact C-N 3.26Å; V282-R284 PolarHBondContact O-N 3.02Å; R284-V286 HydrophobicContact CG-CG2 4.12Å; R284-M314 HydrophobicContact CB-CE 3.96Å
285	G	97.5	Very high	98.1	Very high	38 Å²	38	16.3 Å²	16.3	39%	0.392	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	18.6	175.3	0	0	0	0	0	115	N281 V282	N281-G285 PolarHBondContact O-N 2.97Å; V282-G285 PolarHBondContact O-N 3.1Å
286	V	98.8	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.			trans	-92.4	123.6	172.5	173.8	0	0	0	0	108.7	L224 V234 N281 V282 R284	L224-V286 HydrophobicContact CD1-CG2 3.75Å; L224-V286 HydrophobicContact CD2-CG2 4.06Å; V234-V286 HydrophobicContact CB-CG2 4.37Å; V234-V286 HydrophobicContact CG1-CG1 4.06Å; V234-V286 HydrophobicContact CG1-CG2 4.39Å; N281-V286 CarbonylContact C-O 3.43Å; N281-V286 HydrophobicContact CB-CB 3.96Å; N281-V286 HydrophobicContact CB-CG1 4.06Å; N281-V286 WeakPolarHBondContact O-CB 3.45Å; N281-V286 PolarHBondContact O-N 3.3Å; V282-V286 WeakPolarHBondContact CA-O 3.38Å; R284-V286 HydrophobicContact CG-CG2 4.12Å
287	V	98.9	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	137.7	172	177.6	0	0	0	0	108.4	I28 I36 P37 L38 V233 V234 V235 G236	I28-V287 HydrophobicContact CD1-CG2 3.8Å; I28-V287 HydrophobicContact CG1-CG2 4.33Å; I36-V287 HydrophobicContact CD1-CG1 4.22Å; I36-V287 HydrophobicContact CD1-CG2 4.26Å; I36-V287 HydrophobicContact CG1-CG1 4.46Å; I36-V287 HydrophobicContact CG1-CG2 4.41Å; I36-V287 HydrophobicContact CG2-CG2 3.97Å; P37-V287 WeakPolarHBondContact O-CG1 3.32Å; L38-V287 HydrophobicContact CD2-CG2 4.4Å; L38-V287 CarbonylContact O-C 3.4Å; L38-V287 WeakPolarHBondContact O-CA 3.39Å; V233-V287 HydrophobicContact CG1-CG2 3.61Å; V234-V287 PolarHBondContact O-N 3.12Å; V235-V287 CarbonylContact C-O 3.42Å; V235-V287 HydrophobicContact CB-CB 4.36Å; V235-V287 HydrophobicContact CG1-CB 4.25Å; V235-V287 HydrophobicContact CG1-CG1 4.06Å; V235-V287 HydrophobicContact CG2-CB 4.06Å; V235-V287 HydrophobicContact CG2-CG1 4.36Å; V235-V287 HydrophobicContact CG2-CG2 4.49Å; G236-V287 PolarHBondContact N-O 2.7Å
288	V	98.9	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.3	178.5	-63.8	0	0	0	0	111.1	L38 L39 G40 P239 L278 N281 V282 P290	L38-V288 PolarHBondContact O-N 3.04Å; L39-V288 WeakPolarHBondContact CA-O 3.23Å; L39-V288 HydrophobicContact CD1-CG2 3.66Å; G40-V288 PolarHBondContact N-O 3.22Å; P239-V288 HydrophobicContact CB-CB 4.11Å; P239-V288 HydrophobicContact CB-CG1 4.1Å; P239-V288 HydrophobicContact CG-CB 4.25Å; L278-V288 HydrophobicContact CB-CG2 4.48Å; L278-V288 HydrophobicContact CD2-CB 3.86Å; L278-V288 HydrophobicContact CD2-CG1 4.3Å; L278-V288 HydrophobicContact CD2-CG2 3.76Å; N281-V288 HydrophobicContact CB-CG1 3.32Å; V282-V288 HydrophobicContact CG2-CG1 4.26Å; V282-V288 HydrophobicContact CG2-CG2 3.54Å; V288-P290 WeakPolarHBondContact O-CD 3.42Å
289	I	98.8	Very high	97.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.041	16%	0.16	C	C	.	.			trans	-123.3	60.6	179.3	49.4	166	0	0	0	111.3	G40 D71 Q211 V235 G236 K291	G40-I289 WeakPolarHBondContact O-CA 3.45Å; D71-I289 HydrophobicContact CB-CB 4.22Å; D71-I289 HydrophobicContact CB-CD1 3.9Å; D71-I289 HydrophobicContact CB-CG2 3.97Å; Q211-I289 HydrophobicContact CG-CD1 4.23Å; V235-I289 HydrophobicContact CG1-CD1 4.08Å; V235-I289 HydrophobicContact CG1-CG1 4.12Å; V235-I289 HydrophobicContact CG1-CG2 4.07Å; G236-I289 WeakPolarHBondContact O-CG1 3.23Å; I289-K291 PolarHBondContact O-N 3.33Å
290	P	98.6	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.18	C	C	.	.			trans	-58.2	136.9	176.8	26.1	-35.4	0	0	0	110.9	L39 G40 G42 P239 L240 L278 V288 N301	L39-P290 HydrophobicContact CD1-CG 3.6Å; G40-P290 VanDerWaalsContact O-CD 3.27Å; G40-P290 WeakPolarHBondContact O-CD 3.32Å; G42-P290 PolarHBondContact N-O 3.4Å; G42-P290 VanDerWaalsContact N-O 3.09Å; P239-P290 HydrophobicContact CG-CB 4.14Å; L240-P290 HydrophobicContact CD1-CB 3.78Å; L240-P290 HydrophobicContact CG-CB 4.16Å; L278-P290 HydrophobicContact CD1-CB 4.29Å; L278-P290 HydrophobicContact CD1-CG 4.03Å; L278-P290 HydrophobicContact CD2-CB 3.91Å; L278-P290 HydrophobicContact CD2-CG 3.78Å; V288-P290 WeakPolarHBondContact O-CD 3.42Å; P290-N301 HydrophobicContact CG-CB 4.37Å
291	K	97.9	Very high	97.8	Very high	83 Å²	83	37.4 Å²	37.4	36%	0.361	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-96.4	134.8	171.7	-175.2	-98.2	171.2	148.4	0	110.5	G42 Y44 I289 F293	G42-K291 WeakPolarHBondContact O-CA 3.3Å; G42-K291 VanDerWaalsContact O-CB 3.31Å; G42-K291 WeakPolarHBondContact O-CB 3.31Å; G42-K291 WeakPolarHBondContact O-CG 3.23Å; Y44-K291 VanDerWaalsContact O-CD 3.23Å; Y44-K291 WeakPolarHBondContact O-CD 3.25Å; Y44-K291 WeakPolarHBondContact O-CE 3.47Å; Y44-K291 WeakPolarHBondContact O-CG 3.27Å; Y44-K291 PolarHBondContact O-NZ 2.87Å; I289-K291 PolarHBondContact O-N 3.33Å; K291-F293 VanDerWaalsContact CE-CD2 3.44Å; K291-F293 VanDerWaalsContact CE-CE2 3.48Å; K291-F293 VanDerWaalsContact NZ-CE2 3.31Å
292	S	96.1	Very high	97.8	Very high	5 Å²	5	39.5 Å²	39.5	4%	0.035	19%	0.191	C	C	.	.			trans	-149.6	138	166.3	179.5	0	0	0	0	110.6	S294 R297	S292-S294 PolarHBondContact OG-N 2.98Å; S292-S294 PolarHBondContact OG-O 3.27Å; S292-R297 WeakPolarHBondContact OG-CB 3.12Å
293	F	92.9	Very high	97.7	Very high	39 Å²	39	44.3 Å²	44.3	17%	0.171	21%	0.213	C	C	.	.			trans	-112.4	24.4	165.4	-67.2	-23.2	0	0	0	112.4	T43 T50 T54 T55 C58 K291	T43-F293 WeakPolarHBondContact O-CZ 3.32Å; T50-F293 HydrophobicContact CG2-CD2 3.83Å; T50-F293 HydrophobicContact CG2-CE2 3.57Å; T54-F293 HydrophobicContact CG2-CB 3.61Å; T54-F293 HydrophobicContact CG2-CD1 4.24Å; T54-F293 HydrophobicContact CG2-CD2 3.57Å; T54-F293 HydrophobicContact CG2-CE2 4.28Å; T54-F293 HydrophobicContact CG2-CG 3.57Å; T55-F293 HydrophobicContact CG2-CE1 4.33Å; T55-F293 HydrophobicContact CG2-CZ 4.25Å; C58-F293 HydrophobicContact CB-CD1 3.69Å; C58-F293 HydrophobicContact CB-CE1 4.2Å; C58-F293 WeakPolarHBondContact SG-CA 3.33Å; K291-F293 VanDerWaalsContact CE-CD2 3.44Å; K291-F293 VanDerWaalsContact CE-CE2 3.48Å; K291-F293 VanDerWaalsContact NZ-CE2 3.31Å
294	S	96.6	Very high	97.7	Very high	13 Å²	13	42.3 Å²	42.3	9%	0.091	20%	0.203	C	C	.	.	S	Bend	trans	-107.1	126.5	166.4	150	0	0	0	0	108.6	S292 E296 R297 I298	S292-S294 PolarHBondContact OG-N 2.98Å; S292-S294 PolarHBondContact OG-O 3.27Å; S294-E296 VanDerWaalsContact C-N 3.27Å; S294-E296 PolarHBondContact O-N 3.02Å; S294-E296 PolarHBondContact OG-N 3.09Å; S294-E296 PolarHBondContact OG-OE2 3.03Å; S294-R297 VanDerWaalsContact CB-NH2 3.27Å; S294-R297 PolarHBondContact O-N 3.33Å; S294-R297 PolarHBondContact OG-N 3.35Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 2.71Å
295	P	97.1	Very high	97.7	Very high	57 Å²	57	42.6 Å²	42.6	37%	0.37	21%	0.206	S	C	.	.	H	α-helix	trans	-52.5	-42.8	177.1	-31.3	38	0	0	0	114.2	L61 I298 K299	L61-P295 VanDerWaalsContact CD2-CA 3.4Å; L61-P295 HydrophobicContact CD2-CB 3.49Å; L61-P295 VanDerWaalsContact CD2-CB 3.49Å; L61-P295 HydrophobicContact CD2-CG 4.15Å; P295-I298 PolarHBondContact O-N 3.01Å; P295-K299 WeakPolarHBondContact O-CG 3.33Å; P295-K299 PolarHBondContact O-N 2.93Å
296	E	97.9	Very high	97.6	Very high	112 Å²	112	45.5 Å²	45.5	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-46	-179.1	-57.4	69.8	-149.1	0	0	110.5	S294 K299 H300	S294-E296 VanDerWaalsContact C-N 3.27Å; S294-E296 PolarHBondContact O-N 3.02Å; S294-E296 PolarHBondContact OG-N 3.09Å; S294-E296 PolarHBondContact OG-OE2 3.03Å; E296-K299 PolarHBondContact O-N 3.32Å; E296-H300 VanDerWaalsContact O-CG 3.3Å; E296-H300 PolarHBondContact O-N 2.98Å
297	R	98.1	Very high	97.6	Very high	142 Å²	142	46.6 Å²	46.6	54%	0.536	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-33.2	179.1	-72.3	-166.6	-61.1	-88.6	5.9	112.7	S292 S294 K299 H300 N301	S292-R297 WeakPolarHBondContact OG-CB 3.12Å; S294-R297 VanDerWaalsContact CB-NH2 3.27Å; S294-R297 PolarHBondContact O-N 3.33Å; S294-R297 PolarHBondContact OG-N 3.35Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-H300 PolarHBondContact O-N 2.7Å; R297-N301 VanDerWaalsContact O-CB 3.28Å; R297-N301 WeakPolarHBondContact O-CB 3.41Å; R297-N301 PolarHBondContact O-N 3.2Å; R297-N301 PolarHBondContact O-ND2 2.84Å; R297-N301 PolarHBondContact O-OD1 2.82Å
298	I	98.5	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-48.5	173.4	-70.5	164.4	0	0	0	109.8	L41 C58 L61 A62 Y67 S294 P295 F302	L41-I298 HydrophobicContact CD1-CG1 4.39Å; C58-I298 HydrophobicContact CB-CD1 3.69Å; L61-I298 HydrophobicContact CD2-CB 4.48Å; L61-I298 HydrophobicContact CD2-CD1 4.17Å; L61-I298 HydrophobicContact CG-CG2 4.42Å; A62-I298 HydrophobicContact CB-CG2 3.92Å; Y67-I298 HydrophobicContact CE2-CG2 3.97Å; Y67-I298 WeakPolarHBondContact CE2-O 3.41Å; Y67-I298 PolarHBondContact OH-O 3.21Å; Y67-I298 VanDerWaalsContact OH-O 3.06Å; S294-I298 WeakPolarHBondContact O-CG1 3.37Å; S294-I298 PolarHBondContact O-N 2.71Å; P295-I298 PolarHBondContact O-N 3.01Å; I298-F302 PolarHBondContact O-N 3.32Å
299	K	98.2	Very high	97.6	Very high	105 Å²	105	50 Å²	50	46%	0.457	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-48.9	175.9	-68.7	172.8	-176.6	-178.8	0	111.8	V65 P295 E296 R297 N301 F302	V65-K299 HydrophobicContact CG2-CG 3.58Å; P295-K299 WeakPolarHBondContact O-CG 3.33Å; P295-K299 PolarHBondContact O-N 2.93Å; E296-K299 PolarHBondContact O-N 3.32Å; R297-K299 VanDerWaalsContact C-N 3.34Å; K299-N301 PolarHBondContact O-N 3.31Å; K299-F302 WeakPolarHBondContact O-CB 3.41Å; K299-F302 PolarHBondContact O-N 3.2Å
300	H	96.9	Very high	97.6	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-43.5	-179.1	-72.3	177.9	0	0	0	112.8	Q275 E296 R297 F302 Q303	Q275-H300 WeakPolarHBondContact CG-O 3.34Å; Q275-H300 PolarHBondContact NE2-O 3.27Å; E296-H300 VanDerWaalsContact O-CG 3.3Å; E296-H300 PolarHBondContact O-N 2.98Å; R297-H300 PolarHBondContact O-N 2.7Å; H300-F302 PolarHBondContact O-N 3.23Å; H300-Q303 PolarHBondContact O-N 3.02Å; H300-Q303 VanDerWaalsContact O-N 3.07Å
301	N	98.4	Very high	97.6	Very high	7 Å²	7	57 Å²	57	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-23.2	-179.8	-71.6	-7.8	0	0	0	112.8	Y67 L278 P290 R297 K299 I304	Y67-N301 VanDerWaalsContact OH-CB 3.31Å; Y67-N301 WeakPolarHBondContact OH-CB 3.35Å; L278-N301 HydrophobicContact CD1-CB 3.94Å; P290-N301 HydrophobicContact CG-CB 4.37Å; R297-N301 VanDerWaalsContact O-CB 3.28Å; R297-N301 WeakPolarHBondContact O-CB 3.41Å; R297-N301 PolarHBondContact O-N 3.2Å; R297-N301 PolarHBondContact O-ND2 2.84Å; R297-N301 PolarHBondContact O-OD1 2.82Å; K299-N301 PolarHBondContact O-N 3.31Å; N301-I304 WeakPolarHBondContact O-CG2 3.35Å
302	F	98.1	Very high	97.6	Very high	45 Å²	45	59.5 Å²	59.5	20%	0.197	29%	0.29	C	S	.	.	H	α-helix	trans	-77.6	-25	176.2	-162.6	-105	0	0	0	113.4	L39 V65 G66 Y67 I298 K299 H300 I304	L39-F302 HydrophobicContact CD2-CB 4.39Å; L39-F302 HydrophobicContact CD2-CD2 3.56Å; L39-F302 HydrophobicContact CD2-CE2 4.2Å; L39-F302 HydrophobicContact CD2-CG 4.29Å; V65-F302 HydrophobicContact CG1-CB 3.61Å; V65-F302 HydrophobicContact CG1-CD1 3.82Å; V65-F302 HydrophobicContact CG1-CD2 4.33Å; V65-F302 HydrophobicContact CG1-CG 3.66Å; G66-F302 VanDerWaalsContact C-CE2 3.41Å; G66-F302 VanDerWaalsContact C-CZ 3.46Å; G66-F302 WeakPolarHBondContact O-CE2 3.38Å; G66-F302 WeakPolarHBondContact O-CZ 3.39Å; Y67-F302 HydrophobicContact CD1-CD2 4.34Å; Y67-F302 HydrophobicContact CD2-CB 4.47Å; Y67-F302 AromaticContact CD2-CD2 3.56Å; Y67-F302 HydrophobicContact CD2-CD2 3.56Å; Y67-F302 HydrophobicContact CD2-CE2 4.16Å; Y67-F302 HydrophobicContact CD2-CG 4.27Å; Y67-F302 HydrophobicContact CE1-CD2 4.28Å; Y67-F302 HydrophobicContact CE2-CB 3.67Å; Y67-F302 AromaticContact CE2-CD2 3.49Å; Y67-F302 HydrophobicContact CE2-CD2 3.49Å; Y67-F302 VanDerWaalsContact CE2-CD2 3.49Å; Y67-F302 AromaticContact CE2-CG 3.93Å; Y67-F302 HydrophobicContact CE2-CG 3.93Å; Y67-F302 HydrophobicContact CG-CD2 4Å; Y67-F302 HydrophobicContact CG-CE2 4.31Å; Y67-F302 AromaticContact CZ-CD2 3.86Å; Y67-F302 PolarHBondContact OH-N 2.85Å; I298-F302 PolarHBondContact O-N 3.32Å; K299-F302 WeakPolarHBondContact O-CB 3.41Å; K299-F302 PolarHBondContact O-N 3.2Å; H300-F302 PolarHBondContact O-N 3.23Å; F302-I304 PolarHBondContact O-N 2.6Å
303	Q	97.9	Very high	97.7	Very high	101 Å²	101	60.1 Å²	60.1	47%	0.472	29%	0.292	S	S	.	.			trans	-82.8	60	-176.6	-64.5	-170.2	-18.3	0	0	112.3	K271 Q275 H300	K271-Q303 PolarHBondContact NZ-O 3.25Å; Q275-Q303 PolarHBondContact NE2-O 3.37Å; H300-Q303 PolarHBondContact O-N 3.02Å; H300-Q303 VanDerWaalsContact O-N 3.07Å
304	I	98.3	Very high	98	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.			trans	-119.6	3.5	179.9	63.9	169.5	0	0	0	113.3	L39 Q275 L278 R279 V282 N301 F302	L39-I304 HydrophobicContact CB-CD1 4.5Å; L39-I304 HydrophobicContact CD1-CD1 4.33Å; L39-I304 HydrophobicContact CD2-CD1 4.04Å; L39-I304 HydrophobicContact CD2-CG1 4.31Å; Q275-I304 HydrophobicContact CB-CG2 4.01Å; Q275-I304 HydrophobicContact CG-CG2 3.99Å; L278-I304 HydrophobicContact CB-CD1 3.97Å; L278-I304 HydrophobicContact CB-CG2 3.99Å; L278-I304 HydrophobicContact CD1-CG2 4.36Å; R279-I304 WeakPolarHBondContact CD-O 3.41Å; R279-I304 PolarHBondContact NH1-O 3.39Å; R279-I304 VanDerWaalsContact NH1-O 3.12Å; V282-I304 HydrophobicContact CG2-CD1 3.84Å; N301-I304 WeakPolarHBondContact O-CG2 3.35Å; F302-I304 PolarHBondContact O-N 2.6Å
305	F	97.2	Very high	98.1	Very high	42 Å²	42	65.1 Å²	65.1	18%	0.184	31%	0.313	C	S	.	.	S	Bend	trans	-106.7	-5.1	-177.6	-58.6	-70.9	0	0	0	113.1	H26 L39 V282	H26-F305 HydrophobicContact CB-CD1 4.36Å; H26-F305 HydrophobicContact CB-CE1 3.75Å; H26-F305 HydrophobicContact CB-CE2 4.44Å; H26-F305 HydrophobicContact CB-CZ 3.79Å; H26-F305 AromaticContact CD2-CD1 3.9Å; H26-F305 AromaticContact CD2-CD2 3.44Å; H26-F305 VanDerWaalsContact CD2-CD2 3.44Å; H26-F305 WeakPolarHBondContact CD2-CD2 3.19Å; H26-F305 AromaticContact CD2-CE1 3.89Å; H26-F305 AromaticContact CD2-CE2 3.44Å; H26-F305 VanDerWaalsContact CD2-CE2 3.44Å; H26-F305 WeakPolarHBondContact CD2-CE2 3.41Å; H26-F305 AromaticContact CD2-CG 3.68Å; H26-F305 AromaticContact CD2-CZ 3.67Å; H26-F305 AromaticContact CE1-CD1 3.76Å; H26-F305 AromaticContact CE1-CG 3.57Å; H26-F305 AromaticContact CG-CD1 3.7Å; H26-F305 AromaticContact CG-CE1 3.55Å; H26-F305 AromaticContact CG-CE2 3.96Å; H26-F305 AromaticContact CG-CG 3.96Å; H26-F305 AromaticContact CG-CZ 3.69Å; H26-F305 AromaticContact ND1-CD1 3.6Å; H26-F305 AromaticContact ND1-CE1 3.9Å; H26-F305 AromaticContact ND1-CG 3.89Å; H26-F305 AromaticContact NE2-CD1 3.93Å; H26-F305 AromaticContact NE2-CD2 3.43Å; H26-F305 WeakPolarHBondContact NE2-CD2 3.44Å; H26-F305 AromaticContact NE2-CE2 3.96Å; H26-F305 AromaticContact NE2-CG 3.41Å; H26-F305 WeakPolarHBondContact NE2-CG 3.43Å; L39-F305 HydrophobicContact CB-CE2 4.16Å; L39-F305 HydrophobicContact CB-CZ 3.84Å; L39-F305 HydrophobicContact CD2-CE2 3.92Å; L39-F305 HydrophobicContact CD2-CZ 4.38Å; V282-F305 HydrophobicContact CG1-CE1 3.93Å
306	D	96.1	Very high	98.2	Very high	99 Å²	99	64.2 Å²	64.2	53%	0.529	31%	0.31	S	S	.	.	S	Bend	trans	-96.7	6.1	179.1	65	-29.3	0	0	0	113.5	K271	K271-D306 WeakPolarHBondContact CE-OD1 3.34Å; K271-D306 IonicContact NZ-OD1 3.89Å; K271-D306 PolarHBondContact NZ-OD1 3.4Å; K271-D306 IonicContact NZ-OD2 2.7Å; K271-D306 PolarHBondContact NZ-OD2 3.42Å
307	F	98.1	Very high	98.2	Very high	23 Å²	23	58.9 Å²	58.9	10%	0.101	29%	0.285	C	S	.	.			trans	-148.9	163.7	172.9	80.8	-73	0	0	0	111.2	Y269 K271 Q275 R279 L309	Y269-F307 HydrophobicContact CD1-CB 4.42Å; Y269-F307 HydrophobicContact CD1-CD2 4.1Å; Y269-F307 HydrophobicContact CD2-CD2 4.1Å; Y269-F307 HydrophobicContact CD2-CE2 4.29Å; Y269-F307 AromaticContact CG-CD2 3.83Å; Y269-F307 HydrophobicContact CG-CD2 3.83Å; Y269-F307 HydrophobicContact CG-CE2 4.37Å; K271-F307 HydrophobicContact CD-CD1 4.14Å; K271-F307 HydrophobicContact CD-CE1 4.05Å; K271-F307 HydrophobicContact CG-CD1 4.04Å; K271-F307 HydrophobicContact CG-CE1 3.88Å; K271-F307 HydrophobicContact CG-CE2 4.45Å; K271-F307 HydrophobicContact CG-CG 4.38Å; K271-F307 HydrophobicContact CG-CZ 4.11Å; Q275-F307 HydrophobicContact CB-CE1 4.43Å; R279-F307 HydrophobicContact CB-CE1 4.02Å; R279-F307 HydrophobicContact CB-CE2 4.03Å; R279-F307 HydrophobicContact CB-CZ 3.46Å; R279-F307 VanDerWaalsContact CB-CZ 3.46Å; R279-F307 WeakPolarHBondContact CD-O 3.44Å; R279-F307 HydrophobicContact CG-CD2 4.42Å; R279-F307 HydrophobicContact CG-CE1 4.21Å; R279-F307 HydrophobicContact CG-CE2 3.83Å; R279-F307 HydrophobicContact CG-CZ 3.7Å; R279-F307 PolarHBondContact NE-O 2.86Å; R279-F307 VanDerWaalsContact NE-O 3.12Å; R279-F307 PolarHBondContact NH1-O 3.33Å; F307-L309 HydrophobicContact CE2-CD2 4.17Å; F307-L309 HydrophobicContact CE2-CG 4.44Å
308	S	98.4	Very high	98.3	Very high	67 Å²	67	56.3 Å²	56.3	47%	0.469	28%	0.279	S	S	.	.			trans	-131.7	150.1	174.6	57.9	0	0	0	0	110.8
309	L	98.8	Very high	98.3	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	31%	0.311	C	S	.	.			trans	-85.5	141.1	171.7	-64	165.7	0	0	0	109	I265 Y269 V276 R279 F280 Q283 F307 E313 M314 I317	I265-L309 HydrophobicContact CG2-CD2 3.61Å; Y269-L309 HydrophobicContact CE2-CD2 4.21Å; V276-L309 HydrophobicContact CG1-CD2 4.22Å; R279-L309 HydrophobicContact CB-CD1 4.26Å; R279-L309 HydrophobicContact CG-CD1 3.95Å; R279-L309 HydrophobicContact CG-CG 3.9Å; F280-L309 HydrophobicContact CB-CD1 3.91Å; Q283-L309 PolarHBondContact NE2-O 3.26Å; F307-L309 HydrophobicContact CE2-CD2 4.17Å; F307-L309 HydrophobicContact CE2-CG 4.44Å; L309-E313 HydrophobicContact CB-CB 4.25Å; L309-E313 HydrophobicContact CD2-CB 4.31Å; L309-M314 HydrophobicContact CB-CG 3.92Å; L309-M314 HydrophobicContact CB-SD 3.79Å; L309-M314 HydrophobicContact CD1-SD 3.68Å; L309-M314 HydrophobicContact CG-SD 4.39Å; L309-I317 HydrophobicContact CD1-CD1 3.74Å; L309-I317 HydrophobicContact CD2-CD1 4.19Å
310	T	98.8	Very high	98.3	Very high	53 Å²	53	56.6 Å²	56.6	33%	0.325	30%	0.297	S	S	.	.			trans	-68.5	162.1	171.4	56	0	0	0	0	111	E312 E313 M314	T310-E312 PolarHBondContact O-N 3.38Å; T310-E313 PolarHBondContact N-OE2 3.27Å; T310-E313 PolarHBondContact O-N 3.09Å; T310-E313 VanDerWaalsContact O-N 3.15Å; T310-E313 WeakPolarHBondContact OG1-CB 3.49Å; T310-E313 WeakPolarHBondContact OG1-CG 3.37Å; T310-E313 PolarHBondContact OG1-N 3.22Å; T310-E313 PolarHBondContact OG1-OE2 2.92Å; T310-M314 WeakPolarHBondContact O-CG 3.35Å; T310-M314 PolarHBondContact O-N 3.25Å
311	E	98.6	Very high	98.4	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-59	-37	175.7	-71.2	-60.4	134	0	0	111.9	M314 K315	E311-M314 PolarHBondContact O-N 3Å; E311-K315 WeakPolarHBondContact O-CG 3.1Å; E311-K315 PolarHBondContact O-N 2.77Å
312	E	98.8	Very high	98.3	Very high	135 Å²	135	57.8 Å²	57.8	63%	0.631	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-43	175.4	-65.7	71	-153.9	0	0	111.7	T310 K315 A316	T310-E312 PolarHBondContact O-N 3.38Å; E312-K315 PolarHBondContact O-N 3.1Å; E312-A316 WeakPolarHBondContact O-CB 3.32Å; E312-A316 PolarHBondContact O-N 2.85Å
313	E	98.9	Very high	98.3	Very high	18 Å²	18	60.2 Å²	60.2	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-40.3	176.5	-74.4	162.5	159.3	0	0	112	I265 K268 Y269 L309 T310 K315 A316 I317	I265-E313 HydrophobicContact CD1-CB 4.2Å; I265-E313 HydrophobicContact CD1-CG 4.1Å; I265-E313 HydrophobicContact CG1-CG 4.34Å; K268-E313 VanDerWaalsContact CD-OE1 3.3Å; K268-E313 WeakPolarHBondContact CD-OE1 3.3Å; K268-E313 WeakPolarHBondContact CE-OE1 3.49Å; K268-E313 IonicContact NZ-OE1 2.67Å; K268-E313 PolarHBondContact NZ-OE1 3.3Å; K268-E313 IonicContact NZ-OE2 3.36Å; Y269-E313 VanDerWaalsContact CE2-OE1 3.32Å; Y269-E313 WeakPolarHBondContact CE2-OE1 3.45Å; Y269-E313 WeakPolarHBondContact CE2-OE2 3.46Å; Y269-E313 VanDerWaalsContact OH-CD 3.32Å; Y269-E313 PolarHBondContact OH-OE1 2.99Å; Y269-E313 PolarHBondContact OH-OE2 2.89Å; L309-E313 HydrophobicContact CB-CB 4.25Å; L309-E313 HydrophobicContact CD2-CB 4.31Å; T310-E313 PolarHBondContact N-OE2 3.27Å; T310-E313 PolarHBondContact O-N 3.09Å; T310-E313 VanDerWaalsContact O-N 3.15Å; T310-E313 WeakPolarHBondContact OG1-CB 3.49Å; T310-E313 WeakPolarHBondContact OG1-CG 3.37Å; T310-E313 PolarHBondContact OG1-N 3.22Å; T310-E313 PolarHBondContact OG1-OE2 2.92Å; E313-K315 VanDerWaalsContact C-N 3.34Å; E313-K315 PolarHBondContact O-N 2.82Å; E313-A316 PolarHBondContact O-N 3.01Å; E313-I317 WeakPolarHBondContact O-CB 3.43Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 3.42Å; E313-I317 PolarHBondContact O-N 3.45Å
314	M	98.9	Very high	98	Very high	22 Å²	22	58.5 Å²	58.5	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-58.2	-47.3	174.6	-73.3	-64.8	-66	0	0	111	F280 Q283 R284 L309 T310 E311 I317 E318	F280-M314 HydrophobicContact CD2-CE 3.75Å; F280-M314 HydrophobicContact CD2-SD 3.82Å; F280-M314 HydrophobicContact CE2-CE 4.05Å; F280-M314 WeakPolarHBondContact O-CE 3.33Å; Q283-M314 HydrophobicContact CB-CE 4.26Å; Q283-M314 HydrophobicContact CB-SD 4.24Å; Q283-M314 HydrophobicContact CG-SD 4.39Å; R284-M314 HydrophobicContact CB-CE 3.96Å; L309-M314 HydrophobicContact CB-CG 3.92Å; L309-M314 HydrophobicContact CB-SD 3.79Å; L309-M314 HydrophobicContact CD1-SD 3.68Å; L309-M314 HydrophobicContact CG-SD 4.39Å; T310-M314 WeakPolarHBondContact O-CG 3.35Å; T310-M314 PolarHBondContact O-N 3.25Å; E311-M314 PolarHBondContact O-N 3Å; M314-I317 PolarHBondContact O-N 2.88Å; M314-E318 WeakPolarHBondContact O-CB 3.31Å; M314-E318 PolarHBondContact O-N 3.37Å
315	K	98.8	Very high	98	Very high	134 Å²	134	60 Å²	60	58%	0.583	32%	0.317	S	S	*	.	H	α-helix	trans	-64.1	-41.2	176	-72.4	171.4	-175.6	171.3	0	112.4	E311 E312 E313 E318 A319	E311-K315 WeakPolarHBondContact O-CG 3.1Å; E311-K315 PolarHBondContact O-N 2.77Å; E312-K315 PolarHBondContact O-N 3.1Å; E313-K315 VanDerWaalsContact C-N 3.34Å; E313-K315 PolarHBondContact O-N 2.82Å; K315-E318 PolarHBondContact O-N 3.15Å; K315-A319 WeakPolarHBondContact O-CB 3.45Å; K315-A319 PolarHBondContact O-N 3.27Å
316	A	98.8	Very high	98	Very high	39 Å²	39	58 Å²	58	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178.9	0	0	0	0	0	111.7	L261 E312 E313 A319	L261-A316 HydrophobicContact CD2-CB 3.83Å; L261-A316 WeakPolarHBondContact CD2-O 3.45Å; E312-A316 WeakPolarHBondContact O-CB 3.32Å; E312-A316 PolarHBondContact O-N 2.85Å; E313-A316 PolarHBondContact O-N 3.01Å; A316-A319 PolarHBondContact O-N 2.85Å
317	I	98.8	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-40.3	176.1	-65.5	165.4	0	0	0	110.8	P216 L262 I265 V276 F280 L309 E313 M314 A319 L320	P216-I317 HydrophobicContact CB-CG2 3.71Å; P216-I317 HydrophobicContact CG-CG2 3.64Å; L262-I317 HydrophobicContact CD2-CD1 4.3Å; L262-I317 HydrophobicContact CD2-CG1 3.98Å; L262-I317 HydrophobicContact CD2-CG2 4.05Å; I265-I317 HydrophobicContact CD1-CD1 3.76Å; I265-I317 HydrophobicContact CD1-CG1 3.72Å; V276-I317 HydrophobicContact CG1-CD1 3.68Å; F280-I317 HydrophobicContact CB-CD1 4.39Å; F280-I317 HydrophobicContact CB-CG2 4.05Å; F280-I317 HydrophobicContact CD1-CG2 3.94Å; F280-I317 HydrophobicContact CD2-CB 3.85Å; F280-I317 HydrophobicContact CD2-CG2 3.47Å; F280-I317 VanDerWaalsContact CD2-CG2 3.47Å; F280-I317 HydrophobicContact CE1-CG2 4.26Å; F280-I317 HydrophobicContact CE2-CB 4.12Å; F280-I317 HydrophobicContact CE2-CG2 3.82Å; F280-I317 HydrophobicContact CG-CB 4.37Å; F280-I317 HydrophobicContact CG-CG2 3.53Å; F280-I317 HydrophobicContact CZ-CG2 4.2Å; L309-I317 HydrophobicContact CD1-CD1 3.74Å; L309-I317 HydrophobicContact CD2-CD1 4.19Å; E313-I317 WeakPolarHBondContact O-CB 3.43Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 3.42Å; E313-I317 PolarHBondContact O-N 3.45Å; M314-I317 PolarHBondContact O-N 2.88Å; I317-A319 PolarHBondContact O-N 3.41Å; I317-L320 VanDerWaalsContact O-CB 3.22Å; I317-L320 WeakPolarHBondContact O-CB 3.17Å; I317-L320 WeakPolarHBondContact O-CG 3.23Å; I317-L320 PolarHBondContact O-N 3.46Å
318	E	98.7	Very high	98	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-34.8	175.9	-175.1	167.2	-143.6	0	0	112.1	F280 M314 K315 L320 N321	F280-E318 HydrophobicContact CE2-CB 4.1Å; F280-E318 HydrophobicContact CZ-CB 4.19Å; M314-E318 WeakPolarHBondContact O-CB 3.31Å; M314-E318 PolarHBondContact O-N 3.37Å; K315-E318 PolarHBondContact O-N 3.15Å; E318-L320 PolarHBondContact O-N 3.33Å; E318-N321 WeakPolarHBondContact O-CB 3.37Å; E318-N321 PolarHBondContact O-N 3.41Å; E318-N321 VanDerWaalsContact O-N 3.17Å
319	A	98.6	Very high	98	Very high	82 Å²	82	53.1 Å²	53.1	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10	174.7	0	0	0	0	0	114	K315 A316 I317 N321	K315-A319 WeakPolarHBondContact O-CB 3.45Å; K315-A319 PolarHBondContact O-N 3.27Å; A316-A319 PolarHBondContact O-N 2.85Å; I317-A319 PolarHBondContact O-N 3.41Å; A319-N321 PolarHBondContact O-N 2.95Å
320	L	98.6	Very high	97.9	Very high	30 Å²	30	57.5 Å²	57.5	16%	0.157	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.6	170.3	-61.6	178.5	0	0	0	112.9	P216 Y217 D259 L261 L262 I317 E318 K322	P216-L320 HydrophobicContact CB-CB 4.3Å; P216-L320 HydrophobicContact CB-CD1 4.08Å; P216-L320 CarbonylContact O-C 3.48Å; P216-L320 VanDerWaalsContact O-C 3.24Å; Y217-L320 HydrophobicContact CD1-CB 4.1Å; Y217-L320 WeakPolarHBondContact CD1-O 3.21Å; Y217-L320 HydrophobicContact CE1-CB 4.26Å; D259-L320 WeakPolarHBondContact OD1-CD1 3.37Å; L261-L320 HydrophobicContact CB-CD1 4.43Å; L261-L320 HydrophobicContact CB-CD2 4.29Å; L261-L320 HydrophobicContact CD2-CD1 4.08Å; L261-L320 HydrophobicContact CD2-CD2 3.91Å; L261-L320 HydrophobicContact CD2-CG 3.98Å; L262-L320 HydrophobicContact CD2-CD1 3.98Å; L262-L320 HydrophobicContact CG-CD1 3.94Å; I317-L320 VanDerWaalsContact O-CB 3.22Å; I317-L320 WeakPolarHBondContact O-CB 3.17Å; I317-L320 WeakPolarHBondContact O-CG 3.23Å; I317-L320 PolarHBondContact O-N 3.46Å; E318-L320 PolarHBondContact O-N 3.33Å; L320-K322 WeakPolarHBondContact O-CG 3.13Å; L320-K322 PolarHBondContact O-N 2.84Å; L320-K322 VanDerWaalsContact O-N 3.12Å
321	N	98.5	Very high	97.8	Very high	49 Å²	49	58.3 Å²	58.3	26%	0.262	30%	0.301	S	S	.	.			trans	-55.2	119.6	-178.6	-174.4	40.3	0	0	0	111.3	P216 Y217 F218 T219 E318 A319 N323	P216-N321 VanDerWaalsContact O-CA 3.29Å; P216-N321 WeakPolarHBondContact O-CA 3.4Å; P216-N321 PolarHBondContact O-N 3.43Å; P216-N321 VanDerWaalsContact O-N 3.12Å; Y217-N321 PolarHBondContact O-OD1 2.91Å; F218-N321 WeakPolarHBondContact CA-OD1 3.44Å; T219-N321 HydrophobicContact CG2-CB 3.77Å; T219-N321 PolarHBondContact N-OD1 3.17Å; T219-N321 WeakPolarHBondContact OG1-CB 3.16Å; T219-N321 PolarHBondContact OG1-OD1 3.16Å; E318-N321 WeakPolarHBondContact O-CB 3.37Å; E318-N321 PolarHBondContact O-N 3.41Å; E318-N321 VanDerWaalsContact O-N 3.17Å; A319-N321 PolarHBondContact O-N 2.95Å; N321-N323 PolarHBondContact OD1-N 2.98Å
322	K	97.4	Very high	97.7	Very high	80 Å²	80	54 Å²	54	35%	0.348	28%	0.28	S	S	.	.			trans	-97.2	-10.1	177.8	-59.2	-173.9	179	174.7	0	112.2	Y217 P254 L320 I324	Y217-K322 HydrophobicContact CD1-CD 4.04Å; Y217-K322 HydrophobicContact CD1-CG 4.18Å; Y217-K322 HydrophobicContact CD2-CD 4.2Å; Y217-K322 HydrophobicContact CE1-CD 4.28Å; Y217-K322 HydrophobicContact CE2-CD 4.46Å; Y217-K322 HydrophobicContact CG-CD 3.98Å; Y217-K322 HydrophobicContact CG-CG 4.29Å; Y217-K322 PolarHBondContact O-N 3.39Å; Y217-K322 PolarHBondContact OH-NZ 3.3Å; Y217-K322 VanDerWaalsContact OH-NZ 3.1Å; P254-K322 VanDerWaalsContact CG-NZ 3.33Å; L320-K322 WeakPolarHBondContact O-CG 3.13Å; L320-K322 PolarHBondContact O-N 2.84Å; L320-K322 VanDerWaalsContact O-N 3.12Å; K322-I324 HydrophobicContact CB-CB 4.33Å; K322-I324 HydrophobicContact CB-CD1 4.23Å; K322-I324 HydrophobicContact CB-CG1 4.28Å; K322-I324 PolarHBondContact O-N 3.21Å
323	N	96.6	Very high	97.7	Very high	96 Å²	96	49.7 Å²	49.7	51%	0.513	27%	0.265	S	S	.	.			trans	54.3	31.6	-170	-156.4	36.2	0	0	0	112.8	Y217 F218 N321	Y217-N323 PolarHBondContact O-N 3.18Å; F218-N323 WeakPolarHBondContact CE2-OD1 3.26Å; N321-N323 PolarHBondContact OD1-N 2.98Å
324	I	92.6	Very high	97.6	Very high	65 Å²	65	53.1 Å²	53.1	33%	0.333	28%	0.283	S	S	.	.			trans	-119.5	129.3	177.9	-63.5	169.2	0	0	0	108.1	C253 K322	C253-I324 HydrophobicContact CB-CG2 4.08Å; K322-I324 HydrophobicContact CB-CB 4.33Å; K322-I324 HydrophobicContact CB-CD1 4.23Å; K322-I324 HydrophobicContact CB-CG1 4.28Å; K322-I324 PolarHBondContact O-N 3.21Å
325	R	97.2	Very high	97.6	Very high	30 Å²	30	52.2 Å²	52.2	11%	0.113	28%	0.279	C	S	.	.			trans	-84.4	141.4	175	-63.1	172.2	-163.3	-83	-8	110.7	E213 F218 N250 E328 F340 Y344	E213-R325 VanDerWaalsContact OE1-CA 3.3Å; E213-R325 WeakPolarHBondContact OE1-CA 3.49Å; E213-R325 WeakPolarHBondContact OE2-CB 3.48Å; F218-R325 HydrophobicContact CD1-CG 4.1Å; F218-R325 HydrophobicContact CD2-CG 4.24Å; F218-R325 HydrophobicContact CE1-CG 3.79Å; F218-R325 HydrophobicContact CE2-CG 3.97Å; F218-R325 HydrophobicContact CG-CG 4.34Å; F218-R325 HydrophobicContact CZ-CG 3.76Å; N250-R325 WeakPolarHBondContact CB-O 3.31Å; R325-E328 HydrophobicContact CB-CG 3.98Å; R325-F340 VanDerWaalsContact CZ-CD1 3.5Å; R325-Y344 PolarHBondContact NH1-OH 3.09Å; R325-Y344 PolarHBondContact NH2-OH 2.9Å
326	F	97.7	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-73.3	-34	157.7	-71.8	-49.2	0	0	0	111.3	E213 H215 Y217 V249 N250 C253 L256	E213-F326 PolarHBondContact OE1-N 2.6Å; E213-F326 PolarHBondContact OE2-N 2.94Å; H215-F326 AromaticContact CE1-CD2 3.54Å; H215-F326 AromaticContact CE1-CE2 3.65Å; H215-F326 AromaticContact NE2-CD2 3.28Å; H215-F326 VanDerWaalsContact NE2-CD2 3.28Å; H215-F326 WeakPolarHBondContact NE2-CD2 3.39Å; H215-F326 AromaticContact NE2-CE2 3.77Å; Y217-F326 HydrophobicContact CD2-CZ 4.13Å; V249-F326 CarbonylContact C-O 3Å; V249-F326 WeakPolarHBondContact CA-O 3.33Å; V249-F326 HydrophobicContact CG1-CB 4.03Å; V249-F326 HydrophobicContact CG1-CD1 4.05Å; V249-F326 HydrophobicContact CG1-CG 4.33Å; N250-F326 PolarHBondContact N-O 2.9Å; C253-F326 HydrophobicContact CB-CD1 3.96Å; C253-F326 HydrophobicContact CB-CE1 3.45Å; C253-F326 VanDerWaalsContact CB-CE1 3.45Å; C253-F326 HydrophobicContact CB-CZ 4.26Å; L256-F326 HydrophobicContact CB-CE2 4.26Å; L256-F326 HydrophobicContact CB-CZ 4.4Å
327	V	97.6	Very high	97.5	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.067	28%	0.277	C	S	.	.			trans	-111.6	86.7	-175.1	-168	0	0	0	0	110	E213 Y237 W248 L329	E213-V327 WeakPolarHBondContact OE2-CA 3.46Å; E213-V327 WeakPolarHBondContact OE2-CB 3.29Å; E213-V327 PolarHBondContact OE2-N 3.41Å; Y237-V327 HydrophobicContact CE2-CB 4.11Å; Y237-V327 HydrophobicContact CE2-CG1 4.47Å; Y237-V327 HydrophobicContact CE2-CG2 3.9Å; W248-V327 HydrophobicContact CE3-CG1 4.37Å; W248-V327 HydrophobicContact CE3-CG2 3.9Å; W248-V327 HydrophobicContact CZ3-CG2 3.54Å; V327-L329 HydrophobicContact CG1-CD2 3.72Å; V327-L329 HydrophobicContact CG1-CG 3.99Å
328	E	97.6	Very high	97.5	Very high	55 Å²	55	51.5 Å²	51.5	26%	0.257	28%	0.28	S	S	.	.			trans	-87.3	-26.2	-177.4	-65.2	176.1	130.8	0	0	112.7	N250 R325 L330 Y338 F340	N250-E328 HydrophobicContact CB-CG 4.4Å; N250-E328 WeakPolarHBondContact CB-OE2 3.47Å; N250-E328 VanDerWaalsContact ND2-CD 3.34Å; N250-E328 PolarHBondContact ND2-OE1 2.94Å; N250-E328 PolarHBondContact ND2-OE2 3.03Å; R325-E328 HydrophobicContact CB-CG 3.98Å; E328-L330 HydrophobicContact CB-CD1 4.42Å; E328-L330 HydrophobicContact CB-CD2 3.89Å; E328-L330 HydrophobicContact CB-CG 3.69Å; E328-L330 PolarHBondContact O-N 3Å; E328-Y338 WeakPolarHBondContact O-CE2 3.39Å; E328-Y338 PolarHBondContact O-OH 3.32Å; E328-F340 WeakPolarHBondContact O-CD2 3.45Å
329	L	96.9	Very high	97.4	Very high	21 Å²	21	47.3 Å²	47.3	11%	0.11	26%	0.261	C	S	.	.			trans	54.4	34.7	-176.9	-50.8	177.7	0	0	0	113.6	L139 V327 M331 W332 Y338 F340	L139-L329 HydrophobicContact CD2-CD1 3.37Å; V327-L329 HydrophobicContact CG1-CD2 3.72Å; V327-L329 HydrophobicContact CG1-CG 3.99Å; L329-M331 WeakPolarHBondContact CA-SD 3.31Å; L329-M331 HydrophobicContact CB-SD 4.09Å; L329-M331 HydrophobicContact CD2-SD 4.46Å; L329-M331 PolarHBondContact O-N 2.78Å; L329-W332 HydrophobicContact CB-CE3 4.01Å; L329-W332 HydrophobicContact CB-CZ3 4.44Å; L329-W332 HydrophobicContact CD1-CE3 4.17Å; L329-W332 HydrophobicContact CD1-CZ3 4.09Å; L329-W332 HydrophobicContact CD2-CE3 4.35Å; L329-W332 HydrophobicContact CD2-CZ3 3.94Å; L329-W332 HydrophobicContact CG-CE3 4.41Å; L329-W332 HydrophobicContact CG-CZ3 4.39Å; L329-W332 PolarHBondContact O-N 3.46Å; L329-Y338 HydrophobicContact CB-CE2 4.29Å; L329-F340 HydrophobicContact CB-CE2 4.38Å; L329-F340 HydrophobicContact CD1-CE2 3.88Å; L329-F340 HydrophobicContact CD1-CZ 4.36Å; L329-F340 HydrophobicContact CG-CE2 4.11Å
330	L	96.6	Very high	97.4	Very high	98 Å²	98	44.6 Å²	44.6	51%	0.513	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-56	-25.7	-174.6	-64.4	179.4	0	0	0	113.9	E328 W332 S333	E328-L330 HydrophobicContact CB-CD1 4.42Å; E328-L330 HydrophobicContact CB-CD2 3.89Å; E328-L330 HydrophobicContact CB-CG 3.69Å; E328-L330 PolarHBondContact O-N 3Å; L330-W332 PolarHBondContact O-N 3.18Å; L330-W332 VanDerWaalsContact O-N 3.13Å; L330-S333 VanDerWaalsContact O-CB 3.31Å; L330-S333 WeakPolarHBondContact O-CB 3.38Å; L330-S333 PolarHBondContact O-N 3.1Å; L330-S333 VanDerWaalsContact O-N 3.1Å; L330-S333 PolarHBondContact O-OG 2.99Å
331	M	96.9	Very high	97.3	Very high	70 Å²	70	49.4 Å²	49.4	35%	0.345	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64	-12.9	176.8	76.4	-68.4	-70.1	0	0	113.9	Y158 L329	Y158-M331 WeakPolarHBondContact CD2-O 3.34Å; Y158-M331 HydrophobicContact CE2-CB 3.9Å; Y158-M331 HydrophobicContact CE2-CG 3.77Å; Y158-M331 WeakPolarHBondContact CE2-O 3.49Å; L329-M331 WeakPolarHBondContact CA-SD 3.31Å; L329-M331 HydrophobicContact CB-SD 4.09Å; L329-M331 HydrophobicContact CD2-SD 4.46Å; L329-M331 PolarHBondContact O-N 2.78Å
332	W	97.9	Very high	97.1	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.049	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-118.3	14.9	175.4	-55	-39	0	0	0	113.1	W107 L139 L141 F143 Y150 Y158 Y160 L329 L330 D334 H335 Y338	W107-W332 AromaticContact CH2-CH2 3.89Å; W107-W332 HydrophobicContact CH2-CH2 3.89Å; W107-W332 HydrophobicContact CZ2-CH2 4.38Å; L139-W332 HydrophobicContact CD1-CE3 4.26Å; L139-W332 HydrophobicContact CD1-CH2 4.27Å; L139-W332 HydrophobicContact CD1-CZ3 3.57Å; L141-W332 HydrophobicContact CD1-CE3 3.95Å; L141-W332 HydrophobicContact CD2-CB 4.38Å; F143-W332 HydrophobicContact CE1-CG 4.5Å; F143-W332 AromaticContact CE2-CE2 3.88Å; F143-W332 AromaticContact CE2-CZ2 3.92Å; F143-W332 HydrophobicContact CE2-CZ2 3.92Å; F143-W332 AromaticContact CE2-NE1 3.98Å; F143-W332 AromaticContact CZ-CD1 3.79Å; F143-W332 AromaticContact CZ-CD2 3.7Å; F143-W332 HydrophobicContact CZ-CD2 3.7Å; F143-W332 AromaticContact CZ-CE2 3.47Å; F143-W332 VanDerWaalsContact CZ-CE2 3.47Å; F143-W332 HydrophobicContact CZ-CE3 4.31Å; F143-W332 AromaticContact CZ-CG 3.94Å; F143-W332 HydrophobicContact CZ-CG 3.94Å; F143-W332 AromaticContact CZ-CZ2 3.95Å; F143-W332 HydrophobicContact CZ-CZ2 3.95Å; F143-W332 AromaticContact CZ-NE1 3.5Å; Y150-W332 AromaticContact CD1-CZ2 3.94Å; Y150-W332 HydrophobicContact CD1-CZ2 3.94Å; Y150-W332 HydrophobicContact CE1-CH2 4.11Å; Y150-W332 AromaticContact CE1-CZ2 3.92Å; Y150-W332 HydrophobicContact CE1-CZ2 3.92Å; Y158-W332 AromaticContact CD1-NE1 3.51Å; Y158-W332 AromaticContact CD2-CD1 3.52Å; Y158-W332 AromaticContact CD2-NE1 3.59Å; Y158-W332 AromaticContact CE1-NE1 3.29Å; Y158-W332 VanDerWaalsContact CE1-NE1 3.29Å; Y158-W332 AromaticContact CE2-CD1 3.64Å; Y158-W332 AromaticContact CE2-NE1 3.38Å; Y158-W332 AromaticContact CG-CD1 3.77Å; Y158-W332 AromaticContact CG-NE1 3.64Å; Y158-W332 AromaticContact CZ-CD1 3.96Å; Y158-W332 AromaticContact CZ-NE1 3.2Å; Y160-W332 WeakPolarHBondContact OH-CA 3.31Å; L329-W332 HydrophobicContact CB-CE3 4.01Å; L329-W332 HydrophobicContact CB-CZ3 4.44Å; L329-W332 HydrophobicContact CD1-CE3 4.17Å; L329-W332 HydrophobicContact CD1-CZ3 4.09Å; L329-W332 HydrophobicContact CD2-CE3 4.35Å; L329-W332 HydrophobicContact CD2-CZ3 3.94Å; L329-W332 HydrophobicContact CG-CE3 4.41Å; L329-W332 HydrophobicContact CG-CZ3 4.39Å; L329-W332 PolarHBondContact O-N 3.46Å; L330-W332 PolarHBondContact O-N 3.18Å; L330-W332 VanDerWaalsContact O-N 3.13Å; W332-D334 PolarHBondContact O-N 2.75Å; W332-H335 VanDerWaalsContact O-CB 3.26Å; W332-H335 WeakPolarHBondContact O-CB 3.49Å; W332-H335 PolarHBondContact O-N 3.07Å; W332-Y338 WeakPolarHBondContact O-CD2 3.38Å
333	S	97.5	Very high	96.9	Very high	44 Å²	44	54 Å²	54	31%	0.308	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.7	-177.6	59.2	0	0	0	0	114.1	L330 H341	L330-S333 VanDerWaalsContact O-CB 3.31Å; L330-S333 WeakPolarHBondContact O-CB 3.38Å; L330-S333 PolarHBondContact O-N 3.1Å; L330-S333 VanDerWaalsContact O-N 3.1Å; L330-S333 PolarHBondContact O-OG 2.99Å; S333-H341 PolarHBondContact O-CE1 3.13Å; S333-H341 PolarHBondContact O-NE2 2.93Å
334	D	97.3	Very high	96.4	Very high	89 Å²	89	50.2 Å²	50.2	48%	0.476	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.6	174	69.5	-40.2	0	0	0	113.5	Y160 W332	Y160-D334 PolarHBondContact OH-OD1 3.04Å; W332-D334 PolarHBondContact O-N 2.75Å
335	H	98.4	Very high	96.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	25%	0.251	C	S	.	.	S	Bend	trans	-72.1	136.2	174.6	-170.5	-77.7	0	0	0	110.9	L141 A142 Y160 T163 W332 E337 Y338	L141-H335 HydrophobicContact CD2-CB 3.41Å; L141-H335 VanDerWaalsContact CD2-CB 3.41Å; L141-H335 WeakPolarHBondContact CD2-ND1 3.26Å; A142-H335 PolarHBondContact N-NE2 3.01Å; A142-H335 PolarHBondContact O-NE2 3.4Å; Y160-H335 AromaticContact CD1-CD2 3.52Å; Y160-H335 HydrophobicContact CD2-CB 4.23Å; Y160-H335 AromaticContact CD2-CD2 3.7Å; Y160-H335 HydrophobicContact CE1-CB 4.39Å; Y160-H335 AromaticContact CE1-CD2 3.92Å; Y160-H335 HydrophobicContact CE2-CB 3.85Å; Y160-H335 AromaticContact CG-CD2 3.4Å; T163-H335 PolarHBondContact OG1-CE1 3.31Å; W332-H335 VanDerWaalsContact O-CB 3.26Å; W332-H335 WeakPolarHBondContact O-CB 3.49Å; W332-H335 PolarHBondContact O-N 3.07Å; H335-E337 VanDerWaalsContact C-N 3.25Å; H335-E337 PolarHBondContact ND1-N 3.38Å; H335-E337 PolarHBondContact O-N 2.92Å; H335-Y338 VanDerWaalsContact O-CB 3.29Å; H335-Y338 WeakPolarHBondContact O-CB 3.49Å; H335-Y338 PolarHBondContact O-N 2.92Å
336	P	97.1	Very high	96.5	Very high	111 Å²	111	50.5 Å²	50.5	72%	0.721	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.5	-178.5	-27.5	35.1	0	0	0	114.9
337	E	98.3	Very high	96.5	Very high	30 Å²	30	53.3 Å²	53.3	14%	0.14	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	20.8	177.3	-68.3	-66.1	146.4	0	0	114	P140 T163 R192 Q193 H335 P339	P140-E337 WeakPolarHBondContact O-CB 3.38Å; T163-E337 HydrophobicContact CG2-CG 3.95Å; R192-E337 IonicContact CZ-OE1 3.01Å; R192-E337 IonicContact CZ-OE2 2.71Å; R192-E337 IonicContact NH1-OE1 2.75Å; R192-E337 PolarHBondContact NH1-OE1 3.33Å; R192-E337 IonicContact NH1-OE2 2.94Å; R192-E337 IonicContact NH2-OE1 3.56Å; R192-E337 PolarHBondContact NH2-OE1 2.92Å; R192-E337 IonicContact NH2-OE2 3.67Å; R192-E337 PolarHBondContact NH2-OE2 2.58Å; Q193-E337 WeakPolarHBondContact CG-OE2 3.33Å; Q193-E337 PolarHBondContact NE2-O 3.37Å; Q193-E337 PolarHBondContact NE2-OE2 2.8Å; H335-E337 VanDerWaalsContact C-N 3.25Å; H335-E337 PolarHBondContact ND1-N 3.38Å; H335-E337 PolarHBondContact O-N 2.92Å; E337-P339 WeakPolarHBondContact O-CD 3.49Å
338	Y	98.6	Very high	96.4	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	28%	0.284	C	S	.	.			trans	-59.8	120.8	175	175.7	-98.9	0	0	0	110.9	E328 L329 W332 H335 F340 H341	E328-Y338 WeakPolarHBondContact O-CE2 3.39Å; E328-Y338 PolarHBondContact O-OH 3.32Å; L329-Y338 HydrophobicContact CB-CE2 4.29Å; W332-Y338 WeakPolarHBondContact O-CD2 3.38Å; H335-Y338 VanDerWaalsContact O-CB 3.29Å; H335-Y338 WeakPolarHBondContact O-CB 3.49Å; H335-Y338 PolarHBondContact O-N 2.92Å; Y338-F340 VanDerWaalsContact C-N 3.33Å; Y338-F340 HydrophobicContact CD1-CB 4.39Å; Y338-F340 HydrophobicContact CE1-CB 3.61Å; Y338-F340 HydrophobicContact CE1-CD2 4.47Å; Y338-F340 HydrophobicContact CE1-CG 4.42Å; Y338-F340 AromaticContact CE2-CD2 3.96Å; Y338-F340 HydrophobicContact CE2-CD2 3.96Å; Y338-F340 AromaticContact CZ-CD2 3.8Å; Y338-F340 PolarHBondContact O-N 2.88Å; Y338-H341 HydrophobicContact CD1-CB 4.4Å; Y338-H341 AromaticContact CD1-CD2 3.41Å; Y338-H341 VanDerWaalsContact CD1-CD2 3.41Å; Y338-H341 WeakPolarHBondContact CD1-CD2 3.42Å; Y338-H341 AromaticContact CD1-CE1 3.63Å; Y338-H341 AromaticContact CD1-CG 3.63Å; Y338-H341 AromaticContact CD1-ND1 3.78Å; Y338-H341 AromaticContact CD1-NE2 3.39Å; Y338-H341 WeakPolarHBondContact CD1-NE2 3.17Å; Y338-H341 AromaticContact CE1-CE1 3.8Å; Y338-H341 AromaticContact CE1-ND1 3.82Å
339	P	98.2	Very high	96.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.4	-163.9	26.4	-33.3	0	0	0	114.8	P140 N188 N190 E337	P140-P339 HydrophobicContact CG-CB 3.95Å; P140-P339 HydrophobicContact CG-CG 4.03Å; N188-P339 HydrophobicContact CB-CG 4.32Å; N188-P339 WeakPolarHBondContact O-CB 3.47Å; N188-P339 VanDerWaalsContact O-CG 3.27Å; N188-P339 WeakPolarHBondContact O-CG 3.47Å; N190-P339 HydrophobicContact CB-CB 4.46Å; N190-P339 WeakPolarHBondContact CB-O 3.49Å; N190-P339 PolarHBondContact ND2-O 3.49Å; E337-P339 WeakPolarHBondContact O-CD 3.49Å
340	F	98.3	Very high	96.3	Very high	25 Å²	25	58.1 Å²	58.1	11%	0.11	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	11.3	-167.1	-45.2	-41.3	0	0	0	114.5	N188 R325 E328 L329 Y338	N188-F340 HydrophobicContact CB-CE1 4.5Å; N188-F340 HydrophobicContact CB-CZ 4.25Å; R325-F340 VanDerWaalsContact CZ-CD1 3.5Å; E328-F340 WeakPolarHBondContact O-CD2 3.45Å; L329-F340 HydrophobicContact CB-CE2 4.38Å; L329-F340 HydrophobicContact CD1-CE2 3.88Å; L329-F340 HydrophobicContact CD1-CZ 4.36Å; L329-F340 HydrophobicContact CG-CE2 4.11Å; Y338-F340 VanDerWaalsContact C-N 3.33Å; Y338-F340 HydrophobicContact CD1-CB 4.39Å; Y338-F340 HydrophobicContact CE1-CB 3.61Å; Y338-F340 HydrophobicContact CE1-CD2 4.47Å; Y338-F340 HydrophobicContact CE1-CG 4.42Å; Y338-F340 AromaticContact CE2-CD2 3.96Å; Y338-F340 HydrophobicContact CE2-CD2 3.96Å; Y338-F340 AromaticContact CZ-CD2 3.8Å; Y338-F340 PolarHBondContact O-N 2.88Å
341	H	96.9	Very high	96.3	Very high	131 Å²	131	55.3 Å²	55.3	61%	0.606	28%	0.282	S	S	*	.	S	Bend	trans	-75	-36	168.7	-73.3	-40.7	0	0	0	112.2	S333 Y338	S333-H341 PolarHBondContact O-CE1 3.13Å; S333-H341 PolarHBondContact O-NE2 2.93Å; Y338-H341 HydrophobicContact CD1-CB 4.4Å; Y338-H341 AromaticContact CD1-CD2 3.41Å; Y338-H341 VanDerWaalsContact CD1-CD2 3.41Å; Y338-H341 WeakPolarHBondContact CD1-CD2 3.42Å; Y338-H341 AromaticContact CD1-CE1 3.63Å; Y338-H341 AromaticContact CD1-CG 3.63Å; Y338-H341 AromaticContact CD1-ND1 3.78Å; Y338-H341 AromaticContact CD1-NE2 3.39Å; Y338-H341 WeakPolarHBondContact CD1-NE2 3.17Å; Y338-H341 AromaticContact CE1-CE1 3.8Å; Y338-H341 AromaticContact CE1-ND1 3.82Å
342	E	94.3	Very high	96.2	Very high	75 Å²	75	54.2 Å²	54.2	35%	0.35	28%	0.277	S	S	.	.	S	Bend	trans	-82	145.7	-177.7	-65.3	178.7	-143.2	0	0	111.5	R192	R192-E342 VanDerWaalsContact CB-OE2 3.32Å; R192-E342 WeakPolarHBondContact CB-OE2 3.36Å; R192-E342 WeakPolarHBondContact CD-OE1 3.47Å; R192-E342 IonicContact NE-OE1 3.7Å; R192-E342 PolarHBondContact NE-OE1 2.99Å
343	E	91.5	Very high	96.1	Very high	151 Å²	151	57.6 Å²	57.6	71%	0.706	30%	0.296	S	S	*	.			trans	-76.6	140.4	176.4	-166.4	-164.7	-172.7	0	0	111.6	K222	K222-E343 IonicContact NZ-OE1 3.87Å; K222-E343 PolarHBondContact NZ-OE1 3.18Å; K222-E343 IonicContact NZ-OE2 2.76Å; K222-E343 PolarHBondContact NZ-OE2 2.86Å; K222-E343 VanDerWaalsContact NZ-OE2 3.14Å
344	Y	86.6	Confident	95.9	Very high	15 Å²	15	58.8 Å²	58.8	6%	0.059	30%	0.295	C	S	.	.			trans	-159.7	0	167	57.1	-108.4	0	0	0	112	N190 F218 K222 L223 R325	N190-Y344 HydrophobicContact CB-CD1 4.08Å; N190-Y344 HydrophobicContact CB-CE1 3.83Å; F218-Y344 HydrophobicContact CE1-CE2 4.47Å; F218-Y344 HydrophobicContact CZ-CE2 4.29Å; K222-Y344 VanDerWaalsContact CA-OXT 3.26Å; K222-Y344 WeakPolarHBondContact CA-OXT 3.36Å; K222-Y344 WeakPolarHBondContact CB-OXT 3.42Å; K222-Y344 VanDerWaalsContact CG-OXT 3.22Å; K222-Y344 WeakPolarHBondContact CG-OXT 3.38Å; K222-Y344 PolarHBondContact N-OXT 3.33Å; K222-Y344 VanDerWaalsContact N-OXT 3.09Å; L223-Y344 HydrophobicContact CB-CD2 3.53Å; L223-Y344 HydrophobicContact CB-CE2 4.15Å; L223-Y344 HydrophobicContact CB-CG 3.92Å; L223-Y344 HydrophobicContact CD2-CD1 4.4Å; L223-Y344 HydrophobicContact CD2-CD2 3.78Å; L223-Y344 HydrophobicContact CD2-CE1 4.19Å; L223-Y344 HydrophobicContact CD2-CE2 3.61Å; L223-Y344 HydrophobicContact CD2-CG 4.13Å; L223-Y344 HydrophobicContact CG-CD2 4.27Å; L223-Y344 PolarHBondContact N-OXT 3.47Å; L223-Y344 VanDerWaalsContact N-OXT 3.09Å; R325-Y344 PolarHBondContact NH1-OH 3.09Å; R325-Y344 PolarHBondContact NH2-OH 2.9Å

Retrieved 344 of 344 residues in 334.5 ms (Link to these results)

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