A0A096N3N0_PAPAN Loading...

WW domain-containing oxidoreductase

AlphaFold DB , UniProt , Accession A0A096N3N0, Species PAPAN (Papio anubis, Olive baboon), Gene WWOX, Length 414 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	32.7	Very low	32.9	Very low	248 Å²	248	155.5 Å²	155.5	100%	1.222	86%	0.857	S	S	*	*				0	107.6	0	-70.4	-80.1	-135.1	0	0	107.1
2	A	33.8	Very low	33.5	Very low	98 Å²	98	154.1 Å²	154.1	81%	0.81	86%	0.856	S	S	*	*			cis	-152.7	147.7	-4.9	0	0	0	0	0	106
3	A	31	Very low	34.3	Very low	94 Å²	94	153.5 Å²	153.5	78%	0.777	85%	0.851	S	S	*	*			trans	-71.1	131.4	-178.8	0	0	0	0	0	111.7	R5	A3-R5 PolarHBondContact O-N 2.83Å
4	L	33.4	Very low	35.6	Very low	180 Å²	180	148 Å²	148	94%	0.942	83%	0.828	S	S	*	*			trans	-76.3	100.5	156.4	-88.6	154.7	0	0	0	107.2	Y6	L4-Y6 PolarHBondContact O-N 2.89Å
5	R	31.6	Very low	36.8	Very low	226 Å²	226	147.2 Å²	147.2	85%	0.853	82%	0.815	S	S	*	*			trans	-73.6	112.5	165.2	-78.6	-174.1	-177.5	-171.9	0.5	108.2	A3	A3-R5 PolarHBondContact O-N 2.83Å
6	Y	38.9	Very low	38.1	Very low	244 Å²	244	144.3 Å²	144.3	96%	0.957	80%	0.798	S	S	*	*			trans	-66.7	118.9	144.3	-115.7	-97.6	0	0	0	106.7	L4	L4-Y6 PolarHBondContact O-N 2.89Å
7	A	33.7	Very low	40.1	Very low	88 Å²	88	143.5 Å²	143.5	73%	0.727	79%	0.787	S	S	*	*			trans	-148.5	125.2	173.4	0	0	0	0	0	109.8
8	G	31	Very low	42	Very low	62 Å²	62	138.2 Å²	138.2	64%	0.639	76%	0.757	S	S	*	*			trans	91	72.9	154.9	0	0	0	0	0	116.5	D10	G8-D10 VanDerWaalsContact C-N 3.32Å
9	L	30.5	Very low	44.1	Very low	181 Å²	181	132.7 Å²	132.7	95%	0.948	73%	0.729	S	S	*	*			trans	-78.5	97.5	133	-85.5	158	0	0	0	104.3
10	D	32.2	Very low	45.8	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	74%	0.735	S	S	*	*			trans	-73.4	124.2	170.3	-80.2	-24.1	0	0	0	108.1	G8 T12	G8-D10 VanDerWaalsContact C-N 3.32Å; D10-T12 PolarHBondContact O-N 3.4Å
11	D	33.4	Very low	47.4	Very low	149 Å²	149	127.8 Å²	127.8	80%	0.797	72%	0.715	S	S	*	*			trans	-52.1	115.9	171.6	-78.7	-44.3	0	0	0	110.2
12	T	39.8	Very low	49.7	Very low	138 Å²	138	118.3 Å²	118.3	85%	0.847	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	8	-174.1	28.5	0	0	0	0	114.6	D10	D10-T12 PolarHBondContact O-N 3.4Å
13	D	44.2	Very low	52	Low	147 Å²	147	116.9 Å²	116.9	79%	0.786	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	1.1	-174.3	-88	-12.4	0	0	0	115.4
14	S	52	Low	54.3	Low	76 Å²	76	114.6 Å²	114.6	53%	0.531	62%	0.616	S	S	.	*	S	Bend	trans	-94.8	-14.7	-170.2	71	0	0	0	0	116.7
15	E	53.7	Low	56.5	Low	136 Å²	136	109.3 Å²	109.3	64%	0.636	58%	0.583	S	S	*	*	S	Bend	trans	-84	-19.5	-174.2	-65.8	-124	136	0	0	113.9	T49	E15-T49 WeakPolarHBondContact O-CG2 3.31Å
16	D	58.3	Low	58.6	Low	101 Å²	101	99.4 Å²	99.4	54%	0.54	55%	0.548	S	S	.	.	S	Bend	trans	-98.2	-0.9	-177.2	-79.3	-29.1	0	0	0	114.1	L18 K53	D16-L18 PolarHBondContact O-N 2.87Å; D16-K53 IonicContact OD1-NZ 3.23Å; D16-K53 PolarHBondContact OD1-NZ 3.36Å; D16-K53 IonicContact OD2-NZ 3.98Å
17	E	71.1	Confident	60.3	Low	130 Å²	130	89.6 Å²	89.6	61%	0.607	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-74.4	121.4	176.3	-76.6	-167.9	158.1	0	0	112.1	K48	E17-K48 WeakPolarHBondContact O-CD 3.06Å; E17-K48 WeakPolarHBondContact O-CE 3.47Å; E17-K48 PolarHBondContact O-NZ 2.88Å
18	L	75.1	Confident	61.8	Low	49 Å²	49	91.9 Å²	91.9	26%	0.257	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-67	143.1	174.8	-68.1	169.5	0	0	0	112.2	D16 W22 E24 Y34 H46 P47	D16-L18 PolarHBondContact O-N 2.87Å; L18-W22 HydrophobicContact CB-CB 4.05Å; L18-W22 HydrophobicContact CD2-CB 4.27Å; L18-E24 HydrophobicContact CD1-CB 3.84Å; L18-Y34 HydrophobicContact CD2-CD1 3.52Å; L18-Y34 HydrophobicContact CD2-CE1 3.78Å; L18-H46 WeakPolarHBondContact CD2-NE2 3.48Å; L18-P47 HydrophobicContact CD2-CG 4.06Å
19	P	81.4	Confident	63.4	Low	33 Å²	33	94.7 Å²	94.7	21%	0.214	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-61.5	156.1	169.5	-14.8	27.1	0	0	0	111.7	G21 W22 P47 K48	P19-G21 PolarHBondContact O-N 2.76Å; P19-W22 WeakPolarHBondContact O-CB 3.41Å; P19-W22 PolarHBondContact O-N 2.88Å; P19-W22 VanDerWaalsContact O-N 3.16Å; P19-P47 VanDerWaalsContact CD-CG 3.5Å; P19-P47 HydrophobicContact CG-CB 4.19Å; P19-P47 HydrophobicContact CG-CG 3.96Å; P19-K48 HydrophobicContact CG-CD 4.5Å; P19-K48 HydrophobicContact CG-CG 3.96Å
20	P	78.4	Confident	65.2	Low	132 Å²	132	86.3 Å²	86.3	86%	0.857	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	134.4	176.4	-25.4	34.2	0	0	0	112.3
21	G	79.2	Confident	67.4	Low	31 Å²	31	82.7 Å²	82.7	32%	0.32	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-3.5	-179.5	0	0	0	0	0	115.2	P19 N36 H37	P19-G21 PolarHBondContact O-N 2.76Å; G21-N36 WeakPolarHBondContact O-CA 3.23Å; G21-H37 PolarHBondContact O-N 3.21Å
22	W	80.6	Confident	69.7	Low	48 Å²	48	75.7 Å²	75.7	18%	0.182	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	140.6	173.6	-69.8	81.6	0	0	0	112	L18 P19 A35 N36 Q43 P47	L18-W22 HydrophobicContact CB-CB 4.05Å; L18-W22 HydrophobicContact CD2-CB 4.27Å; P19-W22 WeakPolarHBondContact O-CB 3.41Å; P19-W22 PolarHBondContact O-N 2.88Å; P19-W22 VanDerWaalsContact O-N 3.16Å; W22-A35 CarbonylContact C-O 3.53Å; W22-A35 WeakPolarHBondContact CA-O 3.39Å; W22-N36 HydrophobicContact CD2-CB 3.86Å; W22-N36 VanDerWaalsContact CE2-ND2 3.3Å; W22-N36 HydrophobicContact CE3-CB 3.86Å; W22-N36 HydrophobicContact CH2-CB 3.83Å; W22-N36 HydrophobicContact CZ2-CB 3.84Å; W22-N36 VanDerWaalsContact CZ2-ND2 3.33Å; W22-N36 WeakPolarHBondContact CZ2-ND2 3.36Å; W22-N36 HydrophobicContact CZ3-CB 3.83Å; W22-N36 PolarHBondContact NE1-ND2 2.8Å; W22-Q43 HydrophobicContact CH2-CG 3.96Å; W22-Q43 VanDerWaalsContact CH2-OE1 3.25Å; W22-Q43 HydrophobicContact CZ3-CG 3.72Å; W22-P47 HydrophobicContact CD2-CB 3.98Å; W22-P47 HydrophobicContact CD2-CG 3.74Å; W22-P47 HydrophobicContact CE3-CB 4.3Å; W22-P47 HydrophobicContact CE3-CG 3.99Å; W22-P47 HydrophobicContact CG-CG 4.04Å; W22-P47 HydrophobicContact CH2-CB 4.21Å; W22-P47 HydrophobicContact CZ2-CB 3.87Å; W22-P47 HydrophobicContact CZ3-CB 4.41Å
23	E	81.8	Confident	71.7	Confident	68 Å²	68	71.7 Å²	71.7	32%	0.318	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.2	174.7	-172	-169.4	154.5	0	0	109.7	R25 Y34 A35 H37	E23-R25 HydrophobicContact CG-CG 4.32Å; E23-R25 IonicContact OE1-CZ 3.48Å; E23-R25 IonicContact OE1-NE 2.84Å; E23-R25 PolarHBondContact OE1-NE 3.02Å; E23-R25 IonicContact OE1-NH2 2.76Å; E23-R25 PolarHBondContact OE1-NH2 3.42Å; E23-R25 IonicContact OE2-CZ 3.46Å; E23-R25 IonicContact OE2-NE 3.33Å; E23-R25 PolarHBondContact OE2-NE 3.01Å; E23-R25 IonicContact OE2-NH2 3.27Å; E23-R25 PolarHBondContact OE2-NH2 2.92Å; E23-Y34 CarbonylContact O-C 3.54Å; E23-Y34 WeakPolarHBondContact O-CA 3.24Å; E23-A35 PolarHBondContact N-O 3.04Å; E23-A35 PolarHBondContact O-N 2.91Å; E23-H37 WeakPolarHBondContact CB-NE2 3.42Å; E23-H37 IonicContact OE2-CD2 3.85Å; E23-H37 IonicContact OE2-CE1 2.68Å; E23-H37 PolarHBondContact OE2-CE1 3.1Å; E23-H37 VanDerWaalsContact OE2-CE1 3.23Å; E23-H37 IonicContact OE2-NE2 2.77Å; E23-H37 PolarHBondContact OE2-NE2 2.85Å
24	E	79.9	Confident	73.6	Confident	46 Å²	46	64.7 Å²	64.7	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.6	173.9	-177.4	169.6	-138.5	0	0	110.4	L18 V32 Y34 L90	L18-E24 HydrophobicContact CD1-CB 3.84Å; E24-V32 HydrophobicContact CG-CG1 3.37Å; E24-V32 VanDerWaalsContact OE1-CG1 3.25Å; E24-V32 WeakPolarHBondContact OE1-CG1 3.26Å; E24-Y34 HydrophobicContact CB-CD1 3.91Å; E24-Y34 HydrophobicContact CB-CE1 3.77Å; E24-Y34 HydrophobicContact CG-CD1 4.07Å; E24-Y34 HydrophobicContact CG-CE1 3.52Å; E24-Y34 VanDerWaalsContact OE1-CE1 3.28Å; E24-Y34 WeakPolarHBondContact OE1-CE1 3.33Å; E24-Y34 PolarHBondContact OE1-OH 3.24Å; E24-L90 HydrophobicContact CG-CD2 3.95Å
25	R	80.4	Confident	75.1	Confident	70 Å²	70	61.5 Å²	61.5	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.4	-177.7	-67.6	-171	177.3	179.6	7.2	111	E23 V32 Y33	E23-R25 HydrophobicContact CG-CG 4.32Å; E23-R25 IonicContact OE1-CZ 3.48Å; E23-R25 IonicContact OE1-NE 2.84Å; E23-R25 PolarHBondContact OE1-NE 3.02Å; E23-R25 IonicContact OE1-NH2 2.76Å; E23-R25 PolarHBondContact OE1-NH2 3.42Å; E23-R25 IonicContact OE2-CZ 3.46Å; E23-R25 IonicContact OE2-NE 3.33Å; E23-R25 PolarHBondContact OE2-NE 3.01Å; E23-R25 IonicContact OE2-NH2 3.27Å; E23-R25 PolarHBondContact OE2-NH2 2.92Å; R25-V32 CarbonylContact O-C 3.52Å; R25-V32 VanDerWaalsContact O-CA 3.3Å; R25-V32 WeakPolarHBondContact O-CA 3.36Å; R25-Y33 HydrophobicContact CB-CD1 4.1Å; R25-Y33 HydrophobicContact CB-CD2 4.36Å; R25-Y33 HydrophobicContact CB-CE1 3.55Å; R25-Y33 HydrophobicContact CB-CE2 3.87Å; R25-Y33 HydrophobicContact CB-CG 4.48Å; R25-Y33 VanDerWaalsContact CB-CZ 3.43Å; R25-Y33 WeakPolarHBondContact CD-OH 3.4Å; R25-Y33 HydrophobicContact CG-CE2 4.49Å; R25-Y33 PolarHBondContact N-O 2.9Å; R25-Y33 WeakPolarHBondContact O-CD1 3.36Å; R25-Y33 PolarHBondContact O-N 2.88Å; R25-Y33 VanDerWaalsContact O-O 3.12Å
26	T	74.4	Confident	76.5	Confident	18 Å²	18	55.5 Å²	55.5	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.4	-178.7	-44.3	0	0	0	0	111	W31 V55	T26-W31 CarbonylContact C-O 3.56Å; T26-W31 WeakPolarHBondContact CA-O 3.35Å; T26-V55 HydrophobicContact CG2-CG1 4.05Å; T26-V55 HydrophobicContact CG2-CG2 3.64Å
27	T	74.3	Confident	77.6	Confident	38 Å²	38	55.8 Å²	55.8	23%	0.233	28%	0.284	C	S	.	.			trans	-82.7	167.3	170.9	60.6	0	0	0	0	112.1	D29 G30 W31 Y33 W44	T27-D29 PolarHBondContact O-N 3.24Å; T27-G30 PolarHBondContact O-N 3.15Å; T27-W31 HydrophobicContact CG2-CB 4.48Å; T27-W31 PolarHBondContact N-O 2.9Å; T27-W31 WeakPolarHBondContact OG1-CB 3.43Å; T27-W31 PolarHBondContact OG1-N 2.83Å; T27-W31 PolarHBondContact OG1-O 2.78Å; T27-Y33 HydrophobicContact CG2-CD1 3.94Å; T27-Y33 HydrophobicContact CG2-CE1 4.03Å; T27-W44 HydrophobicContact CG2-CH2 3.76Å; T27-W44 HydrophobicContact CG2-CZ3 4.04Å
28	K	66.1	Low	78	Confident	135 Å²	135	55.1 Å²	55.1	59%	0.587	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.1	176	-65.9	-169.8	174.8	-171.7	0	113.3	G30 T67 V73	K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 2.79Å; K28-T67 WeakPolarHBondContact CE-OG1 3.37Å; K28-T67 PolarHBondContact NZ-OG1 3.01Å; K28-V73 HydrophobicContact CG-CG2 4.29Å
29	D	64.9	Low	78.2	Confident	121 Å²	121	58.2 Å²	58.2	65%	0.647	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	8.5	-179.5	-55.8	-39.2	0	0	0	113.4	T27 R54	T27-D29 PolarHBondContact O-N 3.24Å; D29-R54 PolarHBondContact O-NE 2.88Å; D29-R54 PolarHBondContact O-NH2 2.96Å
30	G	69	Low	78.2	Confident	5 Å²	5	65.4 Å²	65.4	5%	0.052	33%	0.333	C	S	.	.	S	Bend	trans	85.1	6.3	175.1	0	0	0	0	0	115.3	T27 K28 R54 V55	T27-G30 PolarHBondContact O-N 3.15Å; K28-G30 VanDerWaalsContact C-N 3.27Å; K28-G30 PolarHBondContact O-N 2.79Å; G30-R54 WeakPolarHBondContact O-CA 3.35Å; G30-R54 WeakPolarHBondContact O-CG 3.45Å; G30-V55 WeakPolarHBondContact O-CG2 3.47Å; G30-V55 PolarHBondContact O-N 2.74Å
31	W	78.4	Confident	78.2	Confident	66 Å²	66	65.3 Å²	65.3	25%	0.25	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-76.1	133.3	175	-70.5	99.9	0	0	0	111.7	T26 T27 W44 R54 D96	T26-W31 CarbonylContact C-O 3.56Å; T26-W31 WeakPolarHBondContact CA-O 3.35Å; T27-W31 HydrophobicContact CG2-CB 4.48Å; T27-W31 PolarHBondContact N-O 2.9Å; T27-W31 WeakPolarHBondContact OG1-CB 3.43Å; T27-W31 PolarHBondContact OG1-N 2.83Å; T27-W31 PolarHBondContact OG1-O 2.78Å; W31-W44 HydrophobicContact CB-CE3 4.26Å; W31-W44 HydrophobicContact CB-CH2 4.42Å; W31-W44 HydrophobicContact CB-CZ3 3.59Å; W31-W44 HydrophobicContact CG-CZ3 4.48Å; W31-R54 HydrophobicContact CE3-CG 4.47Å; W31-D96 VanDerWaalsContact CH2-OD2 3.28Å; W31-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W31-D96 HydrophobicContact CZ3-CB 4.14Å; W31-D96 WeakPolarHBondContact CZ3-OD2 3.33Å
32	V	80.4	Confident	78.4	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.7	175.7	-177.4	0	0	0	0	110	E24 R25 Y34 K53 V55 L90 T93	E24-V32 HydrophobicContact CG-CG1 3.37Å; E24-V32 VanDerWaalsContact OE1-CG1 3.25Å; E24-V32 WeakPolarHBondContact OE1-CG1 3.26Å; R25-V32 CarbonylContact O-C 3.52Å; R25-V32 VanDerWaalsContact O-CA 3.3Å; R25-V32 WeakPolarHBondContact O-CA 3.36Å; V32-Y34 HydrophobicContact CG1-CE1 4.32Å; V32-Y34 HydrophobicContact CG1-CE2 4.33Å; V32-K53 HydrophobicContact CB-CB 3.98Å; V32-K53 WeakPolarHBondContact CB-O 3.3Å; V32-K53 HydrophobicContact CG1-CB 4.41Å; V32-K53 HydrophobicContact CG2-CB 4.03Å; V32-K53 PolarHBondContact N-O 2.85Å; V32-K53 VanDerWaalsContact N-O 3.14Å; V32-V55 HydrophobicContact CG2-CG1 4.04Å; V32-L90 HydrophobicContact CG1-CD2 4.48Å; V32-L90 HydrophobicContact CG2-CD2 4.17Å; V32-T93 HydrophobicContact CG2-CG2 3.98Å
33	Y	81.7	Confident	78.4	Confident	54 Å²	54	69.6 Å²	69.6	21%	0.212	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.3	172.5	70.3	-82.4	0	0	0	110.6	R25 T27 T42 Q43 W44	R25-Y33 HydrophobicContact CB-CD1 4.1Å; R25-Y33 HydrophobicContact CB-CD2 4.36Å; R25-Y33 HydrophobicContact CB-CE1 3.55Å; R25-Y33 HydrophobicContact CB-CE2 3.87Å; R25-Y33 HydrophobicContact CB-CG 4.48Å; R25-Y33 VanDerWaalsContact CB-CZ 3.43Å; R25-Y33 WeakPolarHBondContact CD-OH 3.4Å; R25-Y33 HydrophobicContact CG-CE2 4.49Å; R25-Y33 PolarHBondContact N-O 2.9Å; R25-Y33 WeakPolarHBondContact O-CD1 3.36Å; R25-Y33 PolarHBondContact O-N 2.88Å; R25-Y33 VanDerWaalsContact O-O 3.12Å; T27-Y33 HydrophobicContact CG2-CD1 3.94Å; T27-Y33 HydrophobicContact CG2-CE1 4.03Å; Y33-T42 HydrophobicContact CD2-CG2 4.12Å; Y33-T42 HydrophobicContact CE2-CG2 4.11Å; Y33-Q43 CarbonylContact C-O 3.54Å; Y33-Q43 WeakPolarHBondContact CA-O 3.35Å; Y33-W44 HydrophobicContact CD1-CZ3 4.34Å; Y33-W44 HydrophobicContact CG-CZ3 4.43Å
34	Y	84.7	Confident	78.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123	-175.3	-57.3	-80.5	0	0	0	109.2	L18 E23 E24 V32 T42 Q43 E45 H46 K53	L18-Y34 HydrophobicContact CD2-CD1 3.52Å; L18-Y34 HydrophobicContact CD2-CE1 3.78Å; E23-Y34 CarbonylContact O-C 3.54Å; E23-Y34 WeakPolarHBondContact O-CA 3.24Å; E24-Y34 HydrophobicContact CB-CD1 3.91Å; E24-Y34 HydrophobicContact CB-CE1 3.77Å; E24-Y34 HydrophobicContact CG-CD1 4.07Å; E24-Y34 HydrophobicContact CG-CE1 3.52Å; E24-Y34 VanDerWaalsContact OE1-CE1 3.28Å; E24-Y34 WeakPolarHBondContact OE1-CE1 3.33Å; E24-Y34 PolarHBondContact OE1-OH 3.24Å; V32-Y34 HydrophobicContact CG1-CE1 4.32Å; V32-Y34 HydrophobicContact CG1-CE2 4.33Å; Y34-T42 CarbonylContact O-C 3.58Å; Y34-T42 VanDerWaalsContact O-CA 3.28Å; Y34-T42 WeakPolarHBondContact O-CA 3.38Å; Y34-Q43 PolarHBondContact N-O 3.33Å; Y34-Q43 PolarHBondContact O-N 3.04Å; Y34-E45 VanDerWaalsContact CD2-C 3.44Å; Y34-E45 VanDerWaalsContact CD2-O 3.26Å; Y34-E45 WeakPolarHBondContact CD2-O 3.28Å; Y34-H46 HydrophobicContact CD2-CB 4.47Å; Y34-H46 HydrophobicContact CE1-CB 4.43Å; Y34-H46 AromaticContact CE1-CD2 3.6Å; Y34-H46 VanDerWaalsContact CE2-CA 3.42Å; Y34-H46 HydrophobicContact CE2-CB 3.79Å; Y34-H46 VanDerWaalsContact CE2-N 3.32Å; Y34-H46 AromaticContact CZ-CD2 3.77Å; Y34-K53 WeakPolarHBondContact OH-CD 3.43Å
35	A	82.8	Confident	78.5	Confident	9 Å²	9	75 Å²	75	7%	0.074	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	178.4	0	0	0	0	0	109.9	W22 E23 T42	W22-A35 CarbonylContact C-O 3.53Å; W22-A35 WeakPolarHBondContact CA-O 3.39Å; E23-A35 PolarHBondContact N-O 3.04Å; E23-A35 PolarHBondContact O-N 2.91Å; A35-T42 HydrophobicContact CB-CG2 4.16Å
36	N	84.2	Confident	78.6	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.053	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.6	172.3	-176.1	-30.1	0	0	0	109.1	G21 W22 T38 E39 E40 K41	G21-N36 WeakPolarHBondContact O-CA 3.23Å; W22-N36 HydrophobicContact CD2-CB 3.86Å; W22-N36 VanDerWaalsContact CE2-ND2 3.3Å; W22-N36 HydrophobicContact CE3-CB 3.86Å; W22-N36 HydrophobicContact CH2-CB 3.83Å; W22-N36 HydrophobicContact CZ2-CB 3.84Å; W22-N36 VanDerWaalsContact CZ2-ND2 3.33Å; W22-N36 WeakPolarHBondContact CZ2-ND2 3.36Å; W22-N36 HydrophobicContact CZ3-CB 3.83Å; W22-N36 PolarHBondContact NE1-ND2 2.8Å; N36-T38 VanDerWaalsContact C-N 3.31Å; N36-T38 WeakPolarHBondContact OD1-CA 3.48Å; N36-T38 WeakPolarHBondContact OD1-CB 3.4Å; N36-T38 PolarHBondContact OD1-N 3.18Å; N36-E39 HydrophobicContact CB-CB 4.47Å; N36-E39 PolarHBondContact OD1-N 2.95Å; N36-E40 WeakPolarHBondContact O-CA 3.43Å; N36-E40 PolarHBondContact O-N 3.18Å; N36-K41 PolarHBondContact N-O 3.02Å; N36-K41 PolarHBondContact O-N 3.43Å
37	H	80.1	Confident	78.7	Confident	107 Å²	107	72.9 Å²	72.9	50%	0.495	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.4	-178.7	-65.3	-70.7	0	0	0	113.8	G21 E23	G21-H37 PolarHBondContact O-N 3.21Å; E23-H37 WeakPolarHBondContact CB-NE2 3.42Å; E23-H37 IonicContact OE2-CD2 3.85Å; E23-H37 IonicContact OE2-CE1 2.68Å; E23-H37 PolarHBondContact OE2-CE1 3.1Å; E23-H37 VanDerWaalsContact OE2-CE1 3.23Å; E23-H37 IonicContact OE2-NE2 2.77Å; E23-H37 PolarHBondContact OE2-NE2 2.85Å
38	T	80.4	Confident	78.9	Confident	116 Å²	116	76.5 Å²	76.5	71%	0.712	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-34.7	177.8	-53.7	0	0	0	0	111.4	N36	N36-T38 VanDerWaalsContact C-N 3.31Å; N36-T38 WeakPolarHBondContact OD1-CA 3.48Å; N36-T38 WeakPolarHBondContact OD1-CB 3.4Å; N36-T38 PolarHBondContact OD1-N 3.18Å
39	E	79.1	Confident	79.3	Confident	114 Å²	114	72.1 Å²	72.1	53%	0.533	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.5	-179.8	-65.7	-171.2	-155.5	0	0	114.2	N36 K41	N36-E39 HydrophobicContact CB-CB 4.47Å; N36-E39 PolarHBondContact OD1-N 2.95Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 HydrophobicContact CB-CD 4.41Å; E39-K41 PolarHBondContact O-N 2.72Å; E39-K41 IonicContact OE2-NZ 3.84Å
40	E	80.6	Confident	79.9	Confident	185 Å²	185	68.4 Å²	68.4	86%	0.864	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	42.4	-175.8	-59.7	-175.5	170.5	0	0	113.4	N36	N36-E40 WeakPolarHBondContact O-CA 3.43Å; N36-E40 PolarHBondContact O-N 3.18Å
41	K	78.9	Confident	80.2	Confident	129 Å²	129	72 Å²	72	56%	0.561	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.1	-177.7	-74.2	173.8	-168.7	162.6	0	112.4	N36 E39	N36-K41 PolarHBondContact N-O 3.02Å; N36-K41 PolarHBondContact O-N 3.43Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 HydrophobicContact CB-CD 4.41Å; E39-K41 PolarHBondContact O-N 2.72Å; E39-K41 IonicContact OE2-NZ 3.84Å
42	T	82.8	Confident	80.3	Confident	99 Å²	99	72.8 Å²	72.8	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.3	171.6	58.3	0	0	0	0	111	Y33 Y34 A35	Y33-T42 HydrophobicContact CD2-CG2 4.12Å; Y33-T42 HydrophobicContact CE2-CG2 4.11Å; Y34-T42 CarbonylContact O-C 3.58Å; Y34-T42 VanDerWaalsContact O-CA 3.28Å; Y34-T42 WeakPolarHBondContact O-CA 3.38Å; A35-T42 HydrophobicContact CB-CG2 4.16Å
43	Q	80.8	Confident	80.2	Confident	71 Å²	71	73.1 Å²	73.1	33%	0.332	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.8	173	69.1	-174	41.3	0	0	111.6	W22 Y33 Y34 E45	W22-Q43 HydrophobicContact CH2-CG 3.96Å; W22-Q43 VanDerWaalsContact CH2-OE1 3.25Å; W22-Q43 HydrophobicContact CZ3-CG 3.72Å; Y33-Q43 CarbonylContact C-O 3.54Å; Y33-Q43 WeakPolarHBondContact CA-O 3.35Å; Y34-Q43 PolarHBondContact N-O 3.33Å; Y34-Q43 PolarHBondContact O-N 3.04Å; Q43-E45 WeakPolarHBondContact CG-O 3.2Å; Q43-E45 PolarHBondContact NE2-O 2.84Å
44	W	81.3	Confident	80.1	Confident	121 Å²	121	76 Å²	76	46%	0.458	37%	0.371	S	S	.	.	S	Bend	trans	-90.9	-14.2	-177.7	-63.9	100.8	0	0	0	113.8	T27 W31 Y33 R52	T27-W44 HydrophobicContact CG2-CH2 3.76Å; T27-W44 HydrophobicContact CG2-CZ3 4.04Å; W31-W44 HydrophobicContact CB-CE3 4.26Å; W31-W44 HydrophobicContact CB-CH2 4.42Å; W31-W44 HydrophobicContact CB-CZ3 3.59Å; W31-W44 HydrophobicContact CG-CZ3 4.48Å; Y33-W44 HydrophobicContact CD1-CZ3 4.34Å; Y33-W44 HydrophobicContact CG-CZ3 4.43Å; W44-R52 HydrophobicContact CB-CG 4.47Å; W44-R52 WeakPolarHBondContact O-CG 3.34Å
45	E	83.7	Confident	79.6	Confident	107 Å²	107	76.3 Å²	76.3	50%	0.5	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-103.4	140	-176.6	-70.6	170.3	-169	0	0	110.4	Y34 Q43 R52	Y34-E45 VanDerWaalsContact CD2-C 3.44Å; Y34-E45 VanDerWaalsContact CD2-O 3.26Å; Y34-E45 WeakPolarHBondContact CD2-O 3.28Å; Q43-E45 WeakPolarHBondContact CG-O 3.2Å; Q43-E45 PolarHBondContact NE2-O 2.84Å; E45-R52 HydrophobicContact CG-CG 3.55Å
46	H	82	Confident	78.4	Confident	2 Å²	2	78.1 Å²	78.1	1%	0.009	39%	0.388	C	S	.	.			trans	-64.2	130	178.3	-179.2	-104	0	0	0	110.2	L18 Y34 K48 T49 G50 K51	L18-H46 WeakPolarHBondContact CD2-NE2 3.48Å; Y34-H46 HydrophobicContact CD2-CB 4.47Å; Y34-H46 HydrophobicContact CE1-CB 4.43Å; Y34-H46 AromaticContact CE1-CD2 3.6Å; Y34-H46 VanDerWaalsContact CE2-CA 3.42Å; Y34-H46 HydrophobicContact CE2-CB 3.79Å; Y34-H46 VanDerWaalsContact CE2-N 3.32Å; Y34-H46 AromaticContact CZ-CD2 3.77Å; H46-K48 PolarHBondContact O-N 3.27Å; H46-K48 VanDerWaalsContact O-N 3.1Å; H46-T49 VanDerWaalsContact CB-OG1 3.3Å; H46-T49 WeakPolarHBondContact CB-OG1 3.36Å; H46-T49 PolarHBondContact ND1-N 3.23Å; H46-T49 PolarHBondContact ND1-OG1 3.25Å; H46-T49 PolarHBondContact O-N 2.77Å; H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 2.68Å; H46-K51 WeakPolarHBondContact CB-O 3.35Å; H46-K51 PolarHBondContact N-O 2.86Å
47	P	77.5	Confident	77.7	Confident	41 Å²	41	80.5 Å²	80.5	27%	0.266	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.1	-168.9	23.9	-36.3	0	0	0	114.9	L18 P19 W22	L18-P47 HydrophobicContact CD2-CG 4.06Å; P19-P47 VanDerWaalsContact CD-CG 3.5Å; P19-P47 HydrophobicContact CG-CB 4.19Å; P19-P47 HydrophobicContact CG-CG 3.96Å; W22-P47 HydrophobicContact CD2-CB 3.98Å; W22-P47 HydrophobicContact CD2-CG 3.74Å; W22-P47 HydrophobicContact CE3-CB 4.3Å; W22-P47 HydrophobicContact CE3-CG 3.99Å; W22-P47 HydrophobicContact CG-CG 4.04Å; W22-P47 HydrophobicContact CH2-CB 4.21Å; W22-P47 HydrophobicContact CZ2-CB 3.87Å; W22-P47 HydrophobicContact CZ3-CB 4.41Å
48	K	77.2	Confident	77.2	Confident	114 Å²	114	83 Å²	83	50%	0.496	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-41.7	174.5	-68.5	-177.4	-179.8	166.9	0	113.5	E17 P19 H46	E17-K48 WeakPolarHBondContact O-CD 3.06Å; E17-K48 WeakPolarHBondContact O-CE 3.47Å; E17-K48 PolarHBondContact O-NZ 2.88Å; P19-K48 HydrophobicContact CG-CD 4.5Å; P19-K48 HydrophobicContact CG-CG 3.96Å; H46-K48 PolarHBondContact O-N 3.27Å; H46-K48 VanDerWaalsContact O-N 3.1Å
49	T	74.9	Confident	76.8	Confident	42 Å²	42	79.5 Å²	79.5	26%	0.258	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.5	-168.8	60.6	0	0	0	0	112.9	E15 H46 K51	E15-T49 WeakPolarHBondContact O-CG2 3.31Å; H46-T49 VanDerWaalsContact CB-OG1 3.3Å; H46-T49 WeakPolarHBondContact CB-OG1 3.36Å; H46-T49 PolarHBondContact ND1-N 3.23Å; H46-T49 PolarHBondContact ND1-OG1 3.25Å; H46-T49 PolarHBondContact O-N 2.77Å; T49-K51 PolarHBondContact O-N 3.04Å; T49-K51 VanDerWaalsContact O-N 3.16Å
50	G	76.6	Confident	76.5	Confident	43 Å²	43	76.5 Å²	76.5	44%	0.443	40%	0.399	S	S	.	.			trans	66.8	7.8	-176.7	0	0	0	0	0	113.9	H46	H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 2.68Å
51	K	75.8	Confident	75.6	Confident	80 Å²	80	77.9 Å²	77.9	35%	0.348	40%	0.398	S	S	.	.			trans	-89.1	140.7	-176.5	-62.3	-173.8	-177.1	174.7	0	110.9	H46 T49 D95	H46-K51 WeakPolarHBondContact CB-O 3.35Å; H46-K51 PolarHBondContact N-O 2.86Å; T49-K51 PolarHBondContact O-N 3.04Å; T49-K51 VanDerWaalsContact O-N 3.16Å; K51-D95 HydrophobicContact CD-CB 4.35Å; K51-D95 VanDerWaalsContact CD-CG 3.47Å; K51-D95 WeakPolarHBondContact CD-OD2 3.33Å; K51-D95 WeakPolarHBondContact CE-OD2 3.41Å; K51-D95 IonicContact NZ-OD2 3.42Å; K51-D95 PolarHBondContact NZ-OD2 3.39Å
52	R	79.9	Confident	75.1	Confident	83 Å²	83	72.8 Å²	72.8	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.7	167.9	-63.2	-177.6	60.6	-156.3	-6.7	108.7	W44 E45 D95 D96	W44-R52 HydrophobicContact CB-CG 4.47Å; W44-R52 WeakPolarHBondContact O-CG 3.34Å; E45-R52 HydrophobicContact CG-CG 3.55Å; R52-D95 CarbonylContact O-C 3.57Å; R52-D96 HydrophobicContact CB-CB 3.99Å; R52-D96 IonicContact CZ-OD2 2.86Å; R52-D96 IonicContact NH1-OD2 3.8Å; R52-D96 PolarHBondContact O-N 2.78Å
53	K	78.9	Confident	74.9	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.035	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153	178.7	-67.9	-172.3	-177.4	-177.8	0	111.2	D16 V32 Y34 T93	D16-K53 IonicContact OD1-NZ 3.23Å; D16-K53 PolarHBondContact OD1-NZ 3.36Å; D16-K53 IonicContact OD2-NZ 3.98Å; V32-K53 HydrophobicContact CB-CB 3.98Å; V32-K53 WeakPolarHBondContact CB-O 3.3Å; V32-K53 HydrophobicContact CG1-CB 4.41Å; V32-K53 HydrophobicContact CG2-CB 4.03Å; V32-K53 PolarHBondContact N-O 2.85Å; V32-K53 VanDerWaalsContact N-O 3.14Å; Y34-K53 WeakPolarHBondContact OH-CD 3.43Å; K53-T93 HydrophobicContact CB-CG2 4.33Å; K53-T93 HydrophobicContact CD-CG2 4.36Å
54	R	80.3	Confident	74.9	Confident	114 Å²	114	71.8 Å²	71.8	43%	0.43	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	169.3	-159.1	179.9	-180	-175.5	-2.2	109.2	D29 G30 W31 T93 V94	D29-R54 PolarHBondContact O-NE 2.88Å; D29-R54 PolarHBondContact O-NH2 2.96Å; G30-R54 WeakPolarHBondContact O-CA 3.35Å; G30-R54 WeakPolarHBondContact O-CG 3.45Å; W31-R54 HydrophobicContact CE3-CG 4.47Å; R54-T93 WeakPolarHBondContact O-CA 3.45Å; R54-V94 PolarHBondContact N-O 3.06Å; R54-V94 VanDerWaalsContact N-O 3.08Å; R54-V94 PolarHBondContact O-N 3.32Å
55	V	73.6	Confident	74.9	Confident	7 Å²	7	68.7 Å²	68.7	4%	0.042	36%	0.359	C	S	.	.			trans	-71	147.6	170.4	-64.6	0	0	0	0	109.6	T26 G30 V32 R89 L90 T93	T26-V55 HydrophobicContact CG2-CG1 4.05Å; T26-V55 HydrophobicContact CG2-CG2 3.64Å; G30-V55 WeakPolarHBondContact O-CG2 3.47Å; G30-V55 PolarHBondContact O-N 2.74Å; V32-V55 HydrophobicContact CG2-CG1 4.04Å; V55-R89 HydrophobicContact CB-CB 3.74Å; V55-R89 HydrophobicContact CG1-CB 4Å; V55-R89 HydrophobicContact CG2-CB 4.44Å; V55-L90 HydrophobicContact CG1-CD2 4.04Å; V55-L90 HydrophobicContact CG1-CG 4.42Å; V55-T93 HydrophobicContact CG1-CG2 3.9Å
56	A	58.7	Low	74.7	Confident	48 Å²	48	67.6 Å²	67.6	40%	0.397	35%	0.354	S	S	.	.			trans	-58.9	160	174	0	0	0	0	0	111.3	R89	A56-R89 WeakPolarHBondContact O-CD 3.47Å
57	G	67.9	Low	74.5	Confident	60 Å²	60	70.1 Å²	70.1	62%	0.619	37%	0.37	S	S	*	.	S	Bend	trans	-50.2	-108.3	-170.2	0	0	0	0	0	116.5	R89	G57-R89 PolarHBondContact O-NH1 3.48Å
58	D	70.4	Confident	74.6	Confident	160 Å²	160	69.9 Å²	69.9	86%	0.856	37%	0.366	S	S	*	.	S	Bend	trans	-65.2	152	-173.4	-60.8	-36	0	0	0	112.2
59	L	72.3	Confident	74.5	Confident	42 Å²	42	74.2 Å²	74.2	22%	0.22	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-62.3	149.8	174.1	-73.2	164.9	0	0	0	111	W63 Q65 F75 P88 R89	L59-W63 HydrophobicContact CB-CB 4.1Å; L59-Q65 HydrophobicContact CD1-CB 3.68Å; L59-F75 HydrophobicContact CD2-CD1 3.81Å; L59-F75 HydrophobicContact CD2-CE1 3.89Å; L59-P88 HydrophobicContact CD2-CG 4.18Å; L59-R89 HydrophobicContact CD2-CG 4.27Å
60	P	71.7	Confident	74.4	Confident	51 Å²	51	79.2 Å²	79.2	33%	0.331	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-55.1	149.2	172.3	-22.1	32.7	0	0	0	111.4	G62 W63	P60-G62 PolarHBondContact O-N 3.17Å; P60-W63 HydrophobicContact CB-CG 4.47Å; P60-W63 WeakPolarHBondContact O-CB 3.36Å; P60-W63 PolarHBondContact O-N 2.81Å
61	Y	63	Low	73.7	Confident	213 Å²	213	79.7 Å²	79.7	84%	0.835	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	128.5	-179.2	177	-98.2	0	0	0	111.7	I79	Y61-I79 HydrophobicContact CD1-CD1 3.81Å; Y61-I79 HydrophobicContact CE1-CD1 4.1Å; Y61-I79 VanDerWaalsContact O-CD1 3.32Å; Y61-I79 WeakPolarHBondContact O-CD1 3.47Å
62	G	68.5	Low	73.6	Confident	23 Å²	23	79.5 Å²	79.5	24%	0.237	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-0.9	-178.7	0	0	0	0	0	115.5	P60 H78	P60-G62 PolarHBondContact O-N 3.17Å; G62-H78 WeakPolarHBondContact O-CB 3.35Å; G62-H78 PolarHBondContact O-N 2.81Å
63	W	78	Confident	73.3	Confident	59 Å²	59	76.7 Å²	76.7	22%	0.223	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.1	173.6	-71.4	76	0	0	0	111.9	L59 P60 F75 V76 D77 T84 P88	L59-W63 HydrophobicContact CB-CB 4.1Å; P60-W63 HydrophobicContact CB-CG 4.47Å; P60-W63 WeakPolarHBondContact O-CB 3.36Å; P60-W63 PolarHBondContact O-N 2.81Å; W63-F75 HydrophobicContact CE3-CB 3.86Å; W63-F75 HydrophobicContact CZ3-CB 3.9Å; W63-V76 CarbonylContact C-O 3.59Å; W63-V76 WeakPolarHBondContact CA-O 3.36Å; W63-D77 HydrophobicContact CD2-CB 3.89Å; W63-D77 HydrophobicContact CE3-CB 3.98Å; W63-D77 HydrophobicContact CH2-CB 3.82Å; W63-D77 HydrophobicContact CZ2-CB 3.65Å; W63-D77 VanDerWaalsContact CZ2-OD2 3.26Å; W63-D77 WeakPolarHBondContact CZ2-OD2 3.44Å; W63-D77 HydrophobicContact CZ3-CB 3.97Å; W63-T84 HydrophobicContact CH2-CG2 3.91Å; W63-T84 HydrophobicContact CZ3-CG2 3.6Å; W63-P88 HydrophobicContact CD2-CB 3.96Å; W63-P88 HydrophobicContact CD2-CG 3.69Å; W63-P88 HydrophobicContact CE3-CB 3.98Å; W63-P88 HydrophobicContact CE3-CG 3.52Å; W63-P88 HydrophobicContact CG-CG 4.2Å; W63-P88 HydrophobicContact CH2-CB 3.85Å; W63-P88 HydrophobicContact CH2-CG 4.29Å; W63-P88 HydrophobicContact CZ2-CB 3.89Å; W63-P88 HydrophobicContact CZ2-CG 4.48Å; W63-P88 HydrophobicContact CZ3-CB 3.9Å; W63-P88 HydrophobicContact CZ3-CG 3.82Å
64	E	80.6	Confident	73.3	Confident	90 Å²	90	77.7 Å²	77.7	42%	0.421	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.5	176.2	-172.7	166.7	-157.1	0	0	110.2	F75 V76 H78	E64-F75 CarbonylContact O-C 3.6Å; E64-F75 WeakPolarHBondContact O-CA 3.47Å; E64-V76 PolarHBondContact N-O 3.37Å; E64-V76 PolarHBondContact O-N 2.83Å; E64-H78 IonicContact OE2-CD2 3.76Å; E64-H78 IonicContact OE2-CE1 3.63Å; E64-H78 IonicContact OE2-NE2 2.76Å; E64-H78 PolarHBondContact OE2-NE2 2.99Å
65	Q	81.5	Confident	73.5	Confident	56 Å²	56	72.6 Å²	72.6	26%	0.262	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125	177.9	176.6	-175.1	-26.1	0	0	109.6	L59 V73 F75	L59-Q65 HydrophobicContact CD1-CB 3.68Å; Q65-V73 HydrophobicContact CG-CG1 3.44Å; Q65-V73 VanDerWaalsContact CG-CG1 3.44Å; Q65-F75 HydrophobicContact CB-CD1 3.94Å; Q65-F75 HydrophobicContact CB-CE1 3.89Å; Q65-F75 HydrophobicContact CG-CD1 4.16Å; Q65-F75 HydrophobicContact CG-CE1 3.75Å; Q65-F75 HydrophobicContact CG-CZ 4.33Å
66	E	80.1	Confident	73.9	Confident	84 Å²	84	73.3 Å²	73.3	39%	0.393	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	172.6	177	-71	-171.6	-163.7	0	0	110.8	V73 F74	E66-V73 WeakPolarHBondContact O-CA 3.36Å; E66-F74 HydrophobicContact CB-CD1 4.41Å; E66-F74 HydrophobicContact CB-CD2 4.3Å; E66-F74 HydrophobicContact CB-CE1 3.81Å; E66-F74 HydrophobicContact CB-CE2 3.71Å; E66-F74 HydrophobicContact CB-CZ 3.43Å; E66-F74 VanDerWaalsContact CB-CZ 3.43Å; E66-F74 HydrophobicContact CG-CE2 4.47Å; E66-F74 HydrophobicContact CG-CZ 4.37Å; E66-F74 PolarHBondContact N-O 2.8Å; E66-F74 PolarHBondContact O-N 2.81Å; E66-F74 WeakPolarHBondContact OE2-CZ 3.37Å
67	T	78.1	Confident	75	Confident	55 Å²	55	71.4 Å²	71.4	34%	0.337	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.6	176.7	-52.4	0	0	0	0	108.1	K28 G71 Q72	K28-T67 WeakPolarHBondContact CE-OG1 3.37Å; K28-T67 PolarHBondContact NZ-OG1 3.01Å; T67-G71 VanDerWaalsContact CG2-CA 3.48Å; T67-G71 WeakPolarHBondContact CG2-O 3.38Å; T67-Q72 CarbonylContact C-O 3.24Å; T67-Q72 WeakPolarHBondContact CA-O 3.42Å
68	D	77.9	Confident	75	Confident	36 Å²	36	72.4 Å²	72.4	19%	0.193	37%	0.372	C	S	.	.			trans	-75.2	176.8	177.9	75	7.5	0	0	0	112.4	N70 G71 Q72 F74	D68-N70 PolarHBondContact O-N 3.27Å; D68-N70 VanDerWaalsContact O-N 3.15Å; D68-N70 WeakPolarHBondContact OD1-CA 3.39Å; D68-N70 WeakPolarHBondContact OD1-CB 3.43Å; D68-N70 PolarHBondContact OD1-N 3.35Å; D68-G71 PolarHBondContact O-N 3.02Å; D68-G71 PolarHBondContact OD1-N 3Å; D68-Q72 PolarHBondContact N-O 2.82Å; D68-Q72 WeakPolarHBondContact OD1-CB 3.31Å; D68-Q72 PolarHBondContact OD1-N 2.88Å; D68-F74 HydrophobicContact CB-CD1 4.08Å; D68-F74 HydrophobicContact CB-CE1 3.99Å
69	E	75.6	Confident	74.9	Confident	204 Å²	204	69.5 Å²	69.5	95%	0.953	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.2	-179.9	-60.8	-176.1	169.5	0	0	113.4
70	N	72.1	Confident	75	Confident	147 Å²	147	73.1 Å²	73.1	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	3.1	177.6	-60.7	-46.8	0	0	0	112.5	D68 Q72	D68-N70 PolarHBondContact O-N 3.27Å; D68-N70 VanDerWaalsContact O-N 3.15Å; D68-N70 WeakPolarHBondContact OD1-CA 3.39Å; D68-N70 WeakPolarHBondContact OD1-CB 3.43Å; D68-N70 PolarHBondContact OD1-N 3.35Å; N70-Q72 VanDerWaalsContact C-N 3.31Å
71	G	63.9	Low	75.4	Confident	53 Å²	53	78.7 Å²	78.7	55%	0.546	39%	0.394	S	S	.	.	S	Bend	trans	81.6	6.9	-178.9	0	0	0	0	0	114.2	T67 D68	T67-G71 VanDerWaalsContact CG2-CA 3.48Å; T67-G71 WeakPolarHBondContact CG2-O 3.38Å; D68-G71 PolarHBondContact O-N 3.02Å; D68-G71 PolarHBondContact OD1-N 3Å
72	Q	72.1	Confident	76.2	Confident	76 Å²	76	76.7 Å²	76.7	36%	0.355	39%	0.385	S	S	.	.			trans	-83.2	132.6	178.8	-167.9	169.6	14.2	0	0	110.5	T67 D68 N70 Y85	T67-Q72 CarbonylContact C-O 3.24Å; T67-Q72 WeakPolarHBondContact CA-O 3.42Å; D68-Q72 PolarHBondContact N-O 2.82Å; D68-Q72 WeakPolarHBondContact OD1-CB 3.31Å; D68-Q72 PolarHBondContact OD1-N 2.88Å; N70-Q72 VanDerWaalsContact C-N 3.31Å; Q72-Y85 HydrophobicContact CG-CD1 4.1Å; Q72-Y85 HydrophobicContact CG-CE1 4.37Å
73	V	73.8	Confident	76.9	Confident	25 Å²	25	79.3 Å²	79.3	15%	0.152	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.3	179.3	177.1	0	0	0	0	110	K28 Q65 E66 F75	K28-V73 HydrophobicContact CG-CG2 4.29Å; Q65-V73 HydrophobicContact CG-CG1 3.44Å; Q65-V73 VanDerWaalsContact CG-CG1 3.44Å; E66-V73 WeakPolarHBondContact O-CA 3.36Å; V73-F75 HydrophobicContact CG1-CE1 4.34Å; V73-F75 HydrophobicContact CG1-CE2 3.96Å; V73-F75 HydrophobicContact CG1-CZ 3.75Å
74	F	80.4	Confident	77	Confident	28 Å²	28	77.7 Å²	77.7	12%	0.123	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.5	170.8	68.9	-91.5	0	0	0	110.8	E66 D68 V76 T83 Y85	E66-F74 HydrophobicContact CB-CD1 4.41Å; E66-F74 HydrophobicContact CB-CD2 4.3Å; E66-F74 HydrophobicContact CB-CE1 3.81Å; E66-F74 HydrophobicContact CB-CE2 3.71Å; E66-F74 HydrophobicContact CB-CZ 3.43Å; E66-F74 VanDerWaalsContact CB-CZ 3.43Å; E66-F74 HydrophobicContact CG-CE2 4.47Å; E66-F74 HydrophobicContact CG-CZ 4.37Å; E66-F74 PolarHBondContact N-O 2.8Å; E66-F74 PolarHBondContact O-N 2.81Å; E66-F74 WeakPolarHBondContact OE2-CZ 3.37Å; D68-F74 HydrophobicContact CB-CD1 4.08Å; D68-F74 HydrophobicContact CB-CE1 3.99Å; F74-V76 HydrophobicContact CD2-CG2 3.93Å; F74-V76 HydrophobicContact CE2-CG2 3.6Å; F74-T83 HydrophobicContact CD2-CG2 3.43Å; F74-T83 VanDerWaalsContact CD2-CG2 3.43Å; F74-T83 HydrophobicContact CE2-CG2 3.97Å; F74-T83 HydrophobicContact CG-CG2 4.28Å; F74-Y85 HydrophobicContact CB-CD1 3.68Å; F74-Y85 HydrophobicContact CB-CE1 3.69Å; F74-Y85 HydrophobicContact CB-CG 4.2Å; F74-Y85 HydrophobicContact CD1-CE1 4.43Å; F74-Y85 HydrophobicContact CG-CE1 4.39Å
75	F	83.3	Confident	76.8	Confident	7 Å²	7	79.6 Å²	79.6	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.5	-173	-56.6	-90.5	0	0	0	110.5	L59 W63 E64 Q65 V73 T83 T84 D87	L59-F75 HydrophobicContact CD2-CD1 3.81Å; L59-F75 HydrophobicContact CD2-CE1 3.89Å; W63-F75 HydrophobicContact CE3-CB 3.86Å; W63-F75 HydrophobicContact CZ3-CB 3.9Å; E64-F75 CarbonylContact O-C 3.6Å; E64-F75 WeakPolarHBondContact O-CA 3.47Å; Q65-F75 HydrophobicContact CB-CD1 3.94Å; Q65-F75 HydrophobicContact CB-CE1 3.89Å; Q65-F75 HydrophobicContact CG-CD1 4.16Å; Q65-F75 HydrophobicContact CG-CE1 3.75Å; Q65-F75 HydrophobicContact CG-CZ 4.33Å; V73-F75 HydrophobicContact CG1-CE1 4.34Å; V73-F75 HydrophobicContact CG1-CE2 3.96Å; V73-F75 HydrophobicContact CG1-CZ 3.75Å; F75-T83 CarbonylContact O-C 3.56Å; F75-T83 WeakPolarHBondContact O-CA 3.35Å; F75-T84 HydrophobicContact CB-CG2 4.27Å; F75-T84 PolarHBondContact N-O 2.85Å; F75-T84 PolarHBondContact O-N 3.31Å; F75-D87 HydrophobicContact CD2-CB 4.15Å; F75-D87 HydrophobicContact CE1-CB 4.15Å; F75-D87 HydrophobicContact CE2-CB 3.42Å; F75-D87 VanDerWaalsContact CE2-CB 3.42Å; F75-D87 HydrophobicContact CZ-CB 3.41Å; F75-D87 VanDerWaalsContact CZ-CB 3.41Å; F75-D87 VanDerWaalsContact CZ-OD2 3.23Å; F75-D87 WeakPolarHBondContact CZ-OD2 3.25Å
76	V	82.2	Confident	76.4	Confident	22 Å²	22	81.3 Å²	81.3	13%	0.133	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.8	-179	-174.7	0	0	0	0	109	W63 E64 F74 T83	W63-V76 CarbonylContact C-O 3.59Å; W63-V76 WeakPolarHBondContact CA-O 3.36Å; E64-V76 PolarHBondContact N-O 3.37Å; E64-V76 PolarHBondContact O-N 2.83Å; F74-V76 HydrophobicContact CD2-CG2 3.93Å; F74-V76 HydrophobicContact CE2-CG2 3.6Å; V76-T83 HydrophobicContact CG2-CG2 4.31Å
77	D	81.1	Confident	76.1	Confident	8 Å²	8	77.5 Å²	77.5	4%	0.043	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	102.4	170	-174.6	-22.7	0	0	0	109	W63 I79 N80 K81 R82	W63-D77 HydrophobicContact CD2-CB 3.89Å; W63-D77 HydrophobicContact CE3-CB 3.98Å; W63-D77 HydrophobicContact CH2-CB 3.82Å; W63-D77 HydrophobicContact CZ2-CB 3.65Å; W63-D77 VanDerWaalsContact CZ2-OD2 3.26Å; W63-D77 WeakPolarHBondContact CZ2-OD2 3.44Å; W63-D77 HydrophobicContact CZ3-CB 3.97Å; D77-I79 PolarHBondContact O-N 2.85Å; D77-I79 WeakPolarHBondContact OD1-CA 3.49Å; D77-I79 WeakPolarHBondContact OD1-CB 3.39Å; D77-I79 PolarHBondContact OD1-N 2.7Å; D77-N80 PolarHBondContact OD1-N 3.4Å; D77-N80 WeakPolarHBondContact OD2-CB 3.19Å; D77-N80 PolarHBondContact OD2-ND2 3.26Å; D77-K81 VanDerWaalsContact O-CA 3.24Å; D77-K81 WeakPolarHBondContact O-CA 3.44Å; D77-K81 PolarHBondContact O-N 3.23Å; D77-R82 PolarHBondContact N-O 3.04Å; D77-R82 PolarHBondContact O-N 3.21Å
78	H	68.6	Low	75.8	Confident	82 Å²	82	76.3 Å²	76.3	38%	0.38	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17	-179.7	-70.7	-70.9	0	0	0	113.4	G62 E64 K81	G62-H78 WeakPolarHBondContact O-CB 3.35Å; G62-H78 PolarHBondContact O-N 2.81Å; E64-H78 IonicContact OE2-CD2 3.76Å; E64-H78 IonicContact OE2-CE1 3.63Å; E64-H78 IonicContact OE2-NE2 2.76Å; E64-H78 PolarHBondContact OE2-NE2 2.99Å; H78-K81 WeakPolarHBondContact O-CD 3.2Å; H78-K81 VanDerWaalsContact O-CE 3.31Å; H78-K81 WeakPolarHBondContact O-CE 3.28Å; H78-K81 PolarHBondContact O-NZ 3.46Å
79	I	69	Low	75.6	Confident	98 Å²	98	75.6 Å²	75.6	50%	0.503	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-50	179.6	-61.3	175.1	0	0	0	109.4	Y61 D77	Y61-I79 HydrophobicContact CD1-CD1 3.81Å; Y61-I79 HydrophobicContact CE1-CD1 4.1Å; Y61-I79 VanDerWaalsContact O-CD1 3.32Å; Y61-I79 WeakPolarHBondContact O-CD1 3.47Å; D77-I79 PolarHBondContact O-N 2.85Å; D77-I79 WeakPolarHBondContact OD1-CA 3.49Å; D77-I79 WeakPolarHBondContact OD1-CB 3.39Å; D77-I79 PolarHBondContact OD1-N 2.7Å
80	N	74.3	Confident	75.1	Confident	119 Å²	119	67.1 Å²	67.1	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.8	-178.1	-59.8	-65.5	0	0	0	113.8	D77 R82	D77-N80 PolarHBondContact OD1-N 3.4Å; D77-N80 WeakPolarHBondContact OD2-CB 3.19Å; D77-N80 PolarHBondContact OD2-ND2 3.26Å; N80-R82 PolarHBondContact O-N 3.32Å
81	K	79.9	Confident	74.4	Confident	168 Å²	168	64.3 Å²	64.3	73%	0.73	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	47.2	178.6	-56.8	-56.1	-175.2	-161.4	0	112.9	D77 H78	D77-K81 VanDerWaalsContact O-CA 3.24Å; D77-K81 WeakPolarHBondContact O-CA 3.44Å; D77-K81 PolarHBondContact O-N 3.23Å; H78-K81 WeakPolarHBondContact O-CD 3.2Å; H78-K81 VanDerWaalsContact O-CE 3.31Å; H78-K81 WeakPolarHBondContact O-CE 3.28Å; H78-K81 PolarHBondContact O-NZ 3.46Å
82	R	79	Confident	74.1	Confident	170 Å²	170	68.6 Å²	68.6	64%	0.642	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	-179.2	-173.7	176.7	177.9	-171.5	-0.7	111.1	D77 N80	D77-R82 PolarHBondContact N-O 3.04Å; D77-R82 PolarHBondContact O-N 3.21Å; N80-R82 PolarHBondContact O-N 3.32Å
83	T	83.9	Confident	73.5	Confident	78 Å²	78	66.5 Å²	66.5	48%	0.479	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138	170.1	-52.6	0	0	0	0	109.7	F74 F75 V76	F74-T83 HydrophobicContact CD2-CG2 3.43Å; F74-T83 VanDerWaalsContact CD2-CG2 3.43Å; F74-T83 HydrophobicContact CE2-CG2 3.97Å; F74-T83 HydrophobicContact CG-CG2 4.28Å; F75-T83 CarbonylContact O-C 3.56Å; F75-T83 WeakPolarHBondContact O-CA 3.35Å; V76-T83 HydrophobicContact CG2-CG2 4.31Å
84	T	79.6	Confident	72.9	Confident	25 Å²	25	69.9 Å²	69.9	15%	0.153	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148	178.5	177.3	0	0	0	0	110.8	W63 F75 V86	W63-T84 HydrophobicContact CH2-CG2 3.91Å; W63-T84 HydrophobicContact CZ3-CG2 3.6Å; F75-T84 HydrophobicContact CB-CG2 4.27Å; F75-T84 PolarHBondContact N-O 2.85Å; F75-T84 PolarHBondContact O-N 3.31Å; T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 VanDerWaalsContact CG2-O 3.28Å; T84-V86 WeakPolarHBondContact CG2-O 3.47Å; T84-V86 PolarHBondContact OG1-N 3.19Å; T84-V86 VanDerWaalsContact OG1-N 3.1Å
85	Y	76.3	Confident	72.2	Confident	130 Å²	130	71.9 Å²	71.9	51%	0.51	37%	0.369	S	S	.	.	S	Bend	trans	-89.9	-5	173.3	-68.7	-92.4	0	0	0	112.3	Q72 F74	Q72-Y85 HydrophobicContact CG-CD1 4.1Å; Q72-Y85 HydrophobicContact CG-CE1 4.37Å; F74-Y85 HydrophobicContact CB-CD1 3.68Å; F74-Y85 HydrophobicContact CB-CE1 3.69Å; F74-Y85 HydrophobicContact CB-CG 4.2Å; F74-Y85 HydrophobicContact CD1-CE1 4.43Å; F74-Y85 HydrophobicContact CG-CE1 4.39Å
86	V	73.3	Confident	70.9	Confident	92 Å²	92	74.2 Å²	74.2	56%	0.558	38%	0.381	S	S	*	.	S	Bend	trans	-92.9	123.5	175	-175.8	0	0	0	0	108.6	T84 L90	T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 VanDerWaalsContact CG2-O 3.28Å; T84-V86 WeakPolarHBondContact CG2-O 3.47Å; T84-V86 PolarHBondContact OG1-N 3.19Å; T84-V86 VanDerWaalsContact OG1-N 3.1Å; V86-L90 HydrophobicContact CG1-CD1 3.75Å
87	D	74.1	Confident	69.5	Low	5 Å²	5	78 Å²	78	3%	0.027	40%	0.401	C	S	.	.			trans	-64.5	122.9	179.5	-172.8	-31.8	0	0	0	110.3	F75 R89 L90	F75-D87 HydrophobicContact CD2-CB 4.15Å; F75-D87 HydrophobicContact CE1-CB 4.15Å; F75-D87 HydrophobicContact CE2-CB 3.42Å; F75-D87 VanDerWaalsContact CE2-CB 3.42Å; F75-D87 HydrophobicContact CZ-CB 3.41Å; F75-D87 VanDerWaalsContact CZ-CB 3.41Å; F75-D87 VanDerWaalsContact CZ-OD2 3.23Å; F75-D87 WeakPolarHBondContact CZ-OD2 3.25Å; D87-R89 PolarHBondContact O-N 3.5Å; D87-R89 WeakPolarHBondContact OD1-CB 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.26Å; D87-R89 IonicContact OD1-CZ 3.82Å; D87-R89 PolarHBondContact OD1-N 2.92Å; D87-R89 IonicContact OD1-NE 2.95Å; D87-R89 PolarHBondContact OD1-NE 3.4Å; D87-R89 IonicContact OD1-NH2 3.8Å; D87-R89 IonicContact OD2-CZ 3.36Å; D87-R89 IonicContact OD2-NE 3.18Å; D87-R89 PolarHBondContact OD2-NE 3.49Å; D87-R89 IonicContact OD2-NH2 2.72Å; D87-R89 PolarHBondContact OD2-NH2 3.03Å; D87-L90 HydrophobicContact CB-CD1 4.08Å; D87-L90 HydrophobicContact CB-CG 4.03Å; D87-L90 WeakPolarHBondContact O-CB 3.35Å; D87-L90 WeakPolarHBondContact O-CG 3.46Å; D87-L90 PolarHBondContact O-N 3.07Å
88	P	72	Confident	67.8	Low	30 Å²	30	83.1 Å²	83.1	20%	0.195	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.4	-178.8	29.6	-39.8	0	0	0	113.1	L59 W63 L90	L59-P88 HydrophobicContact CD2-CG 4.18Å; W63-P88 HydrophobicContact CD2-CB 3.96Å; W63-P88 HydrophobicContact CD2-CG 3.69Å; W63-P88 HydrophobicContact CE3-CB 3.98Å; W63-P88 HydrophobicContact CE3-CG 3.52Å; W63-P88 HydrophobicContact CG-CG 4.2Å; W63-P88 HydrophobicContact CH2-CB 3.85Å; W63-P88 HydrophobicContact CH2-CG 4.29Å; W63-P88 HydrophobicContact CZ2-CB 3.89Å; W63-P88 HydrophobicContact CZ2-CG 4.48Å; W63-P88 HydrophobicContact CZ3-CB 3.9Å; W63-P88 HydrophobicContact CZ3-CG 3.82Å; P88-L90 VanDerWaalsContact C-N 3.34Å
89	R	74.1	Confident	66.5	Low	20 Å²	20	83.4 Å²	83.4	8%	0.075	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.6	177.9	-57.2	171.5	-70.3	-170.4	-3.3	113.4	V55 A56 G57 L59 D87 A91 F92	V55-R89 HydrophobicContact CB-CB 3.74Å; V55-R89 HydrophobicContact CG1-CB 4Å; V55-R89 HydrophobicContact CG2-CB 4.44Å; A56-R89 WeakPolarHBondContact O-CD 3.47Å; G57-R89 PolarHBondContact O-NH1 3.48Å; L59-R89 HydrophobicContact CD2-CG 4.27Å; D87-R89 PolarHBondContact O-N 3.5Å; D87-R89 WeakPolarHBondContact OD1-CB 3.28Å; D87-R89 WeakPolarHBondContact OD1-CG 3.26Å; D87-R89 IonicContact OD1-CZ 3.82Å; D87-R89 PolarHBondContact OD1-N 2.92Å; D87-R89 IonicContact OD1-NE 2.95Å; D87-R89 PolarHBondContact OD1-NE 3.4Å; D87-R89 IonicContact OD1-NH2 3.8Å; D87-R89 IonicContact OD2-CZ 3.36Å; D87-R89 IonicContact OD2-NE 3.18Å; D87-R89 PolarHBondContact OD2-NE 3.49Å; D87-R89 IonicContact OD2-NH2 2.72Å; D87-R89 PolarHBondContact OD2-NH2 3.03Å; R89-A91 PolarHBondContact O-N 3.12Å; R89-F92 CarbonylContact O-C 3.6Å; R89-F92 WeakPolarHBondContact O-CA 3.43Å; R89-F92 PolarHBondContact O-N 2.99Å
90	L	65.1	Low	64.9	Low	26 Å²	26	87.5 Å²	87.5	14%	0.136	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-60.5	-31.2	-178.6	-77.4	165.8	0	0	0	112.8	E24 V32 V55 V86 D87 P88 F92 T93	E24-L90 HydrophobicContact CG-CD2 3.95Å; V32-L90 HydrophobicContact CG1-CD2 4.48Å; V32-L90 HydrophobicContact CG2-CD2 4.17Å; V55-L90 HydrophobicContact CG1-CD2 4.04Å; V55-L90 HydrophobicContact CG1-CG 4.42Å; V86-L90 HydrophobicContact CG1-CD1 3.75Å; D87-L90 HydrophobicContact CB-CD1 4.08Å; D87-L90 HydrophobicContact CB-CG 4.03Å; D87-L90 WeakPolarHBondContact O-CB 3.35Å; D87-L90 WeakPolarHBondContact O-CG 3.46Å; D87-L90 PolarHBondContact O-N 3.07Å; P88-L90 VanDerWaalsContact C-N 3.34Å; L90-F92 PolarHBondContact O-N 3.34Å; L90-F92 VanDerWaalsContact O-N 3.12Å; L90-T93 HydrophobicContact CD2-CG2 4.04Å; L90-T93 WeakPolarHBondContact O-CG2 3.28Å; L90-T93 PolarHBondContact O-N 3.12Å; L90-T93 PolarHBondContact O-OG1 3.08Å
91	A	57.4	Low	63	Low	88 Å²	88	87.2 Å²	87.2	73%	0.727	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-66.1	-10.7	173.1	0	0	0	0	0	114.1	R89	R89-A91 PolarHBondContact O-N 3.12Å
92	F	57.7	Low	60.9	Low	144 Å²	144	84.5 Å²	84.5	63%	0.632	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-121.5	23.4	-178.1	-52.9	-75.5	0	0	0	112.2	R89 L90 V94	R89-F92 CarbonylContact O-C 3.6Å; R89-F92 WeakPolarHBondContact O-CA 3.43Å; R89-F92 PolarHBondContact O-N 2.99Å; L90-F92 PolarHBondContact O-N 3.34Å; L90-F92 VanDerWaalsContact O-N 3.12Å; F92-V94 PolarHBondContact O-N 3.14Å
93	T	58.8	Low	59.3	Low	32 Å²	32	82.3 Å²	82.3	20%	0.196	46%	0.464	C	S	.	.			trans	-60.7	137.2	175.7	49.3	0	0	0	0	111.3	V32 K53 R54 V55 L90	V32-T93 HydrophobicContact CG2-CG2 3.98Å; K53-T93 HydrophobicContact CB-CG2 4.33Å; K53-T93 HydrophobicContact CD-CG2 4.36Å; R54-T93 WeakPolarHBondContact O-CA 3.45Å; V55-T93 HydrophobicContact CG1-CG2 3.9Å; L90-T93 HydrophobicContact CD2-CG2 4.04Å; L90-T93 WeakPolarHBondContact O-CG2 3.28Å; L90-T93 PolarHBondContact O-N 3.12Å; L90-T93 PolarHBondContact O-OG1 3.08Å
94	V	61.9	Low	57.4	Low	95 Å²	95	87.1 Å²	87.1	58%	0.576	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.4	170.7	-109.5	0	0	0	0	109.1	R54 F92 D96	R54-V94 PolarHBondContact N-O 3.06Å; R54-V94 VanDerWaalsContact N-O 3.08Å; R54-V94 PolarHBondContact O-N 3.32Å; F92-V94 PolarHBondContact O-N 3.14Å; V94-D96 PolarHBondContact O-N 2.9Å
95	D	65.8	Low	56.4	Low	71 Å²	71	90.1 Å²	90.1	38%	0.38	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.2	174	-73.3	-22.8	0	0	0	109.7	K51 R52 N97	K51-D95 HydrophobicContact CD-CB 4.35Å; K51-D95 VanDerWaalsContact CD-CG 3.47Å; K51-D95 WeakPolarHBondContact CD-OD2 3.33Å; K51-D95 WeakPolarHBondContact CE-OD2 3.41Å; K51-D95 IonicContact NZ-OD2 3.42Å; K51-D95 PolarHBondContact NZ-OD2 3.39Å; R52-D95 CarbonylContact O-C 3.57Å; D95-N97 PolarHBondContact O-N 2.76Å
96	D	55.9	Low	56.2	Low	56 Å²	56	92.8 Å²	92.8	30%	0.299	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	70.7	167.8	-174.8	42.9	0	0	0	108.5	W31 R52 V94 P98	W31-D96 VanDerWaalsContact CH2-OD2 3.28Å; W31-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W31-D96 HydrophobicContact CZ3-CB 4.14Å; W31-D96 WeakPolarHBondContact CZ3-OD2 3.33Å; R52-D96 HydrophobicContact CB-CB 3.99Å; R52-D96 IonicContact CZ-OD2 2.86Å; R52-D96 IonicContact NH1-OD2 3.8Å; R52-D96 PolarHBondContact O-N 2.78Å; V94-D96 PolarHBondContact O-N 2.9Å; D96-P98 WeakPolarHBondContact O-CD 3.43Å
97	N	52.2	Low	56.8	Low	102 Å²	102	89.8 Å²	89.8	55%	0.545	48%	0.481	S	S	.	.			trans	-77.1	121.6	165.9	-134.5	-6.3	0	0	0	106.2	D95 T99	D95-N97 PolarHBondContact O-N 2.76Å; N97-T99 PolarHBondContact O-N 3.33Å; N97-T99 PolarHBondContact O-OG1 3.16Å
98	P	45.4	Very low	57	Low	115 Å²	115	93.1 Å²	93.1	75%	0.747	50%	0.499	S	S	*	.			trans	-73.9	59.6	163.9	32.8	-32.6	0	0	0	107.7	D96 K100	D96-P98 WeakPolarHBondContact O-CD 3.43Å; P98-K100 PolarHBondContact O-N 3.36Å
99	T	40.7	Very low	57.2	Low	87 Å²	87	92.9 Å²	92.9	53%	0.534	50%	0.502	S	S	.	.			trans	-56.4	111.4	155.8	22.4	0	0	0	0	104.6	N97 P101	N97-T99 PolarHBondContact O-N 3.33Å; N97-T99 PolarHBondContact O-OG1 3.16Å; T99-P101 VanDerWaalsContact O-N 3.1Å
100	K	35.9	Very low	57.5	Low	185 Å²	185	95.1 Å²	95.1	80%	0.804	52%	0.521	S	S	*	.			trans	-33.3	126.1	149.1	-79.7	178.8	177	176	0	105.4	P98 T102	P98-K100 PolarHBondContact O-N 3.36Å; K100-T102 VanDerWaalsContact C-N 3.34Å; K100-T102 PolarHBondContact O-N 2.91Å
101	P	33.7	Very low	58.6	Low	112 Å²	112	94.4 Å²	94.4	73%	0.727	52%	0.518	S	S	*	.			trans	-49.4	110	-176.2	18.8	-30.3	0	0	0	106.1	T99 T103	T99-P101 VanDerWaalsContact O-N 3.1Å; P101-T103 PolarHBondContact O-N 3.22Å
102	T	36.5	Very low	60.2	Low	112 Å²	112	91.7 Å²	91.7	69%	0.687	49%	0.492	S	S	*	.			trans	-69	87	166.9	27.8	0	0	0	0	102	K100 Q104	K100-T102 VanDerWaalsContact C-N 3.34Å; K100-T102 PolarHBondContact O-N 2.91Å; T102-Q104 PolarHBondContact O-N 3.34Å
103	T	44.6	Very low	61.8	Low	124 Å²	124	84.8 Å²	84.8	76%	0.761	46%	0.462	S	S	*	.			trans	-61.1	69.6	151.7	47.4	0	0	0	0	105.8	P101 Q105	P101-T103 PolarHBondContact O-N 3.22Å; T103-Q105 PolarHBondContact O-N 2.92Å
104	Q	44.9	Very low	63.4	Low	179 Å²	179	86.3 Å²	86.3	84%	0.836	47%	0.467	S	S	*	.			trans	-64.1	96	147.6	-87.7	-169.3	-8.1	0	0	103.4	T102 R106	T102-Q104 PolarHBondContact O-N 3.34Å; Q104-R106 PolarHBondContact O-N 3.28Å
105	Q	58.1	Low	64.8	Low	88 Å²	88	86.2 Å²	86.2	41%	0.411	46%	0.461	S	S	.	.			trans	-53.7	112.3	175.8	-160.6	-169.3	-35.3	0	0	106.4	T103 Y107 N378 C380	T103-Q105 PolarHBondContact O-N 2.92Å; Q105-Y107 WeakPolarHBondContact CG-O 3.34Å; Q105-Y107 PolarHBondContact NE2-O 3.4Å; Q105-Y107 PolarHBondContact O-N 3.49Å; Q105-N378 PolarHBondContact NE2-O 2.83Å; Q105-C380 PolarHBondContact NE2-SG 3.08Å; Q105-C380 PolarHBondContact OE1-SG 3Å
106	R	72.4	Confident	66.1	Low	186 Å²	186	83 Å²	83	70%	0.702	44%	0.443	S	S	*	.	S	Bend	trans	-56.6	-27.5	-175.5	-178	177.1	178.7	165.6	1	112.3	Q104	Q104-R106 PolarHBondContact O-N 3.28Å
107	Y	85	Confident	67.8	Low	28 Å²	28	80.3 Å²	80.3	11%	0.11	43%	0.429	C	S	.	.	S	Bend	trans	-131.9	145.2	-178	-54.2	-57.6	0	0	0	109.2	Q105 T111 I116 Y361	Q105-Y107 WeakPolarHBondContact CG-O 3.34Å; Q105-Y107 PolarHBondContact NE2-O 3.4Å; Q105-Y107 PolarHBondContact O-N 3.49Å; Y107-T111 WeakPolarHBondContact CA-OG1 3.37Å; Y107-T111 HydrophobicContact CD1-CG2 3.61Å; Y107-T111 HydrophobicContact CE1-CG2 4.4Å; Y107-T111 HydrophobicContact CG-CG2 4.14Å; Y107-I116 HydrophobicContact CD1-CD1 3.44Å; Y107-I116 VanDerWaalsContact CD1-CD1 3.44Å; Y107-I116 HydrophobicContact CD2-CD1 3.5Å; Y107-I116 HydrophobicContact CE1-CD1 3.66Å; Y107-I116 HydrophobicContact CE2-CD1 3.76Å; Y107-I116 HydrophobicContact CG-CD1 3.3Å; Y107-I116 PolarHBondContact OH-O 2.68Å; Y107-Y361 AromaticContact CD2-CD2 3.54Å; Y107-Y361 HydrophobicContact CD2-CD2 3.54Å; Y107-Y361 AromaticContact CD2-CE2 3.56Å; Y107-Y361 HydrophobicContact CD2-CE2 3.56Å; Y107-Y361 AromaticContact CE2-CD2 3.7Å; Y107-Y361 HydrophobicContact CE2-CD2 3.7Å; Y107-Y361 AromaticContact CE2-CE2 3.7Å; Y107-Y361 HydrophobicContact CE2-CE2 3.7Å
108	D	79.7	Confident	69.6	Low	76 Å²	76	82.5 Å²	82.5	41%	0.406	44%	0.436	S	S	.	.			trans	-132.2	-165.4	-178.9	68.9	18.6	0	0	0	111.8	S110 T111	D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 WeakPolarHBondContact OD1-CA 3.24Å; D108-S110 WeakPolarHBondContact OD1-CB 3.37Å; D108-S110 PolarHBondContact OD1-N 2.84Å; D108-S110 PolarHBondContact OD1-OG 3.02Å; D108-T111 PolarHBondContact N-OG1 3.15Å; D108-T111 PolarHBondContact O-N 3.24Å; D108-T111 PolarHBondContact OD1-N 3.5Å
109	G	75.3	Confident	71.5	Confident	24 Å²	24	81.1 Å²	81.1	25%	0.247	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.9	179.2	0	0	0	0	0	114.8	K350	G109-K350 WeakPolarHBondContact O-CE 3.21Å; G109-K350 PolarHBondContact O-NZ 2.73Å
110	S	81.3	Confident	73.8	Confident	67 Å²	67	80.8 Å²	80.8	47%	0.469	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-12.6	-179.2	75.6	0	0	0	0	113.7	D108 Q354	D108-S110 PolarHBondContact O-N 3.22Å; D108-S110 WeakPolarHBondContact OD1-CA 3.24Å; D108-S110 WeakPolarHBondContact OD1-CB 3.37Å; D108-S110 PolarHBondContact OD1-N 2.84Å; D108-S110 PolarHBondContact OD1-OG 3.02Å; S110-Q354 VanDerWaalsContact O-CG 3.31Å; S110-Q354 WeakPolarHBondContact O-CG 3.41Å; S110-Q354 PolarHBondContact O-NE2 3.49Å
111	T	87.1	Confident	76.6	Confident	12 Å²	12	77.8 Å²	77.8	7%	0.074	42%	0.424	C	S	.	.			trans	-61.2	139.6	176.5	-56.4	0	0	0	0	111.9	Y107 D108 E115 I116 Q354 A357	Y107-T111 WeakPolarHBondContact CA-OG1 3.37Å; Y107-T111 HydrophobicContact CD1-CG2 3.61Å; Y107-T111 HydrophobicContact CE1-CG2 4.4Å; Y107-T111 HydrophobicContact CG-CG2 4.14Å; D108-T111 PolarHBondContact N-OG1 3.15Å; D108-T111 PolarHBondContact O-N 3.24Å; D108-T111 PolarHBondContact OD1-N 3.5Å; T111-E115 WeakPolarHBondContact CA-OE2 3.3Å; T111-E115 HydrophobicContact CG2-CB 4.01Å; T111-I116 HydrophobicContact CG2-CD1 3.54Å; T111-I116 HydrophobicContact CG2-CG1 3.97Å; T111-Q354 WeakPolarHBondContact O-CA 3.38Å; T111-A357 WeakPolarHBondContact O-CB 3.41Å
112	T	91.1	Very high	79.6	Confident	30 Å²	30	73.4 Å²	73.4	18%	0.184	39%	0.394	C	S	.	.			trans	-96.7	155.6	175.7	63.6	0	0	0	0	111.9	M114 E115 I116 Q353 Q354	T112-M114 PolarHBondContact O-N 3.34Å; T112-E115 PolarHBondContact N-OE2 3.41Å; T112-E115 PolarHBondContact O-N 2.86Å; T112-E115 VanDerWaalsContact O-N 3.16Å; T112-E115 VanDerWaalsContact OG1-CG 3.23Å; T112-E115 WeakPolarHBondContact OG1-CG 3.45Å; T112-E115 PolarHBondContact OG1-N 2.86Å; T112-E115 PolarHBondContact OG1-OE2 2.98Å; T112-I116 WeakPolarHBondContact O-CG1 3.36Å; T112-I116 PolarHBondContact O-N 3.26Å; T112-I116 VanDerWaalsContact O-N 3.16Å; T112-Q353 HydrophobicContact CG2-CB 4.13Å; T112-Q354 HydrophobicContact CG2-CG 4.03Å
113	A	92	Very high	82.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-59.4	-32	174.2	0	0	0	0	0	113.6	I116 L117 S143 Q353 A356 V360	A113-I116 PolarHBondContact O-N 3.38Å; A113-L117 PolarHBondContact O-N 2.87Å; A113-S143 WeakPolarHBondContact CB-OG 3.44Å; A113-Q353 PolarHBondContact N-O 3.44Å; A113-A356 HydrophobicContact CB-CB 3.61Å; A113-V360 HydrophobicContact CB-CB 4.02Å; A113-V360 HydrophobicContact CB-CG1 4.37Å; A113-V360 HydrophobicContact CB-CG2 3.68Å
114	M	92.2	Very high	84.9	Confident	64 Å²	64	69.1 Å²	69.1	32%	0.315	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-41.7	174	-65	-63.4	-89.5	0	0	112.4	T112 I116 L117 Q118 S143 L146	T112-M114 PolarHBondContact O-N 3.34Å; M114-I116 VanDerWaalsContact C-N 3.31Å; M114-I116 PolarHBondContact O-N 3.18Å; M114-L117 PolarHBondContact O-N 2.87Å; M114-Q118 PolarHBondContact O-N 3.14Å; M114-Q118 VanDerWaalsContact O-N 3.1Å; M114-S143 PolarHBondContact SD-OG 3.49Å; M114-L146 HydrophobicContact CE-CB 4.21Å; M114-L146 HydrophobicContact CE-CD1 3.49Å; M114-L146 VanDerWaalsContact CE-CD1 3.49Å; M114-L146 HydrophobicContact CE-CG 4.5Å; M114-L146 HydrophobicContact SD-CD1 4.33Å
115	E	90.9	Very high	87.5	Confident	93 Å²	93	64.6 Å²	64.6	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-64.6	-35.2	176	-72.9	160.9	157	0	0	112.1	T111 T112 L117 Q118	T111-E115 WeakPolarHBondContact CA-OE2 3.3Å; T111-E115 HydrophobicContact CG2-CB 4.01Å; T112-E115 PolarHBondContact N-OE2 3.41Å; T112-E115 PolarHBondContact O-N 2.86Å; T112-E115 VanDerWaalsContact O-N 3.16Å; T112-E115 VanDerWaalsContact OG1-CG 3.23Å; T112-E115 WeakPolarHBondContact OG1-CG 3.45Å; T112-E115 PolarHBondContact OG1-N 2.86Å; T112-E115 PolarHBondContact OG1-OE2 2.98Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.84Å; E115-Q118 WeakPolarHBondContact O-CB 3.19Å; E115-Q118 PolarHBondContact O-N 2.94Å
116	I	92.7	Very high	89.4	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-59.6	-39.3	174.2	-61	-62.5	0	0	0	111.5	Y107 T111 T112 A113 M114 A357 V360 Y361	Y107-I116 HydrophobicContact CD1-CD1 3.44Å; Y107-I116 VanDerWaalsContact CD1-CD1 3.44Å; Y107-I116 HydrophobicContact CD2-CD1 3.5Å; Y107-I116 HydrophobicContact CE1-CD1 3.66Å; Y107-I116 HydrophobicContact CE2-CD1 3.76Å; Y107-I116 HydrophobicContact CG-CD1 3.3Å; Y107-I116 PolarHBondContact OH-O 2.68Å; T111-I116 HydrophobicContact CG2-CD1 3.54Å; T111-I116 HydrophobicContact CG2-CG1 3.97Å; T112-I116 WeakPolarHBondContact O-CG1 3.36Å; T112-I116 PolarHBondContact O-N 3.26Å; T112-I116 VanDerWaalsContact O-N 3.16Å; A113-I116 PolarHBondContact O-N 3.38Å; M114-I116 VanDerWaalsContact C-N 3.31Å; M114-I116 PolarHBondContact O-N 3.18Å; I116-A357 HydrophobicContact CG1-CB 4.23Å; I116-V360 HydrophobicContact CB-CG1 4.04Å; I116-V360 HydrophobicContact CG2-CG1 3.83Å; I116-Y361 HydrophobicContact CD1-CD2 4.2Å; I116-Y361 HydrophobicContact CG2-CD2 4.47Å
117	L	93	Very high	90.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-92.2	-0.1	-176.4	-60.1	-172.7	0	0	0	113.9	A113 M114 E115 G119 R120 F122 F144 H147 V360 A364	A113-L117 PolarHBondContact O-N 2.87Å; M114-L117 PolarHBondContact O-N 2.87Å; E115-L117 VanDerWaalsContact C-N 3.27Å; E115-L117 PolarHBondContact O-N 2.84Å; L117-G119 PolarHBondContact O-N 2.76Å; L117-R120 VanDerWaalsContact O-CB 3.29Å; L117-R120 WeakPolarHBondContact O-CB 3.03Å; L117-R120 WeakPolarHBondContact O-CG 3.3Å; L117-R120 PolarHBondContact O-N 3.31Å; L117-F122 HydrophobicContact CD2-CE2 3.73Å; L117-F122 HydrophobicContact CD2-CZ 3.98Å; L117-F144 HydrophobicContact CD1-CD1 4.07Å; L117-F144 HydrophobicContact CD1-CE1 4.21Å; L117-F144 HydrophobicContact CD1-CG 4.4Å; L117-F144 HydrophobicContact CD2-CE1 4.35Å; L117-H147 WeakPolarHBondContact CB-NE2 3.29Å; L117-H147 HydrophobicContact CD1-CB 4.38Å; L117-H147 PolarHBondContact O-CD2 2.94Å; L117-H147 PolarHBondContact O-NE2 2.88Å; L117-V360 HydrophobicContact CD1-CG1 3.8Å; L117-V360 HydrophobicContact CD2-CG1 3.43Å; L117-V360 VanDerWaalsContact CD2-CG1 3.43Å; L117-V360 HydrophobicContact CG-CG1 3.43Å; L117-V360 VanDerWaalsContact CG-CG1 3.43Å; L117-A364 HydrophobicContact CD2-CB 3.42Å; L117-A364 VanDerWaalsContact CD2-CB 3.42Å
118	Q	88.6	Confident	91.4	Very high	147 Å²	147	50.5 Å²	50.5	69%	0.687	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	127.3	-177.3	-172.1	177.2	6.7	0	0	111.5	M114 E115 R120	M114-Q118 PolarHBondContact O-N 3.14Å; M114-Q118 VanDerWaalsContact O-N 3.1Å; E115-Q118 WeakPolarHBondContact O-CB 3.19Å; E115-Q118 PolarHBondContact O-N 2.94Å; Q118-R120 VanDerWaalsContact C-N 3.3Å; Q118-R120 PolarHBondContact O-N 2.98Å
119	G	85.4	Confident	92.3	Very high	87 Å²	87	46.9 Å²	46.9	90%	0.897	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	13.9	-179.5	0	0	0	0	0	114.8	L117	L117-G119 PolarHBondContact O-N 2.76Å
120	R	89.9	Confident	93.4	Very high	80 Å²	80	45.7 Å²	45.7	30%	0.302	27%	0.269	S	S	.	.			trans	-112.8	139.3	179.7	-47	-168.4	94.5	-126.8	2.7	110.9	L117 Q118 F122 H147 A364	L117-R120 VanDerWaalsContact O-CB 3.29Å; L117-R120 WeakPolarHBondContact O-CB 3.03Å; L117-R120 WeakPolarHBondContact O-CG 3.3Å; L117-R120 PolarHBondContact O-N 3.31Å; Q118-R120 VanDerWaalsContact C-N 3.3Å; Q118-R120 PolarHBondContact O-N 2.98Å; R120-F122 HydrophobicContact CB-CD2 4.47Å; R120-F122 HydrophobicContact CB-CE2 3.84Å; R120-H147 PolarHBondContact O-CD2 3.15Å; R120-A364 PolarHBondContact NH1-O 3.19Å
121	D	93.6	Very high	94	Very high	121 Å²	121	43.4 Å²	43.4	65%	0.647	26%	0.256	S	S	*	.			trans	-112.9	128.4	176.2	-178.5	15.4	0	0	0	110.1	T123	D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.39Å; D121-T123 PolarHBondContact OD1-N 2.87Å; D121-T123 PolarHBondContact OD1-OG1 3.18Å; D121-T123 PolarHBondContact OD2-OG1 3.4Å
122	F	96.9	Very high	94.3	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.088	25%	0.252	C	S	.	.			trans	-110.5	16.6	178.8	-74.1	-95.9	0	0	0	112.2	L117 R120 G124 K125 F144 H147 A149 A364	L117-F122 HydrophobicContact CD2-CE2 3.73Å; L117-F122 HydrophobicContact CD2-CZ 3.98Å; R120-F122 HydrophobicContact CB-CD2 4.47Å; R120-F122 HydrophobicContact CB-CE2 3.84Å; F122-G124 PolarHBondContact O-N 2.98Å; F122-K125 HydrophobicContact CB-CB 4.23Å; F122-K125 HydrophobicContact CB-CG 4.43Å; F122-K125 HydrophobicContact CD1-CB 4.16Å; F122-K125 HydrophobicContact CD1-CG 4.1Å; F122-K125 WeakPolarHBondContact O-CA 3.43Å; F122-K125 VanDerWaalsContact O-CB 3.26Å; F122-K125 WeakPolarHBondContact O-CB 3.26Å; F122-K125 PolarHBondContact O-N 3.09Å; F122-F144 HydrophobicContact CD1-CD1 4.05Å; F122-F144 AromaticContact CD1-CE1 3.99Å; F122-F144 HydrophobicContact CD1-CE1 3.99Å; F122-F144 HydrophobicContact CD2-CD1 4.43Å; F122-F144 HydrophobicContact CE1-CD1 4.21Å; F122-F144 AromaticContact CE1-CE1 3.68Å; F122-F144 HydrophobicContact CE1-CE1 3.68Å; F122-F144 HydrophobicContact CE2-CE1 4.35Å; F122-F144 HydrophobicContact CG-CD1 4.18Å; F122-F144 HydrophobicContact CG-CE1 4.45Å; F122-F144 HydrophobicContact CZ-CD1 4.48Å; F122-F144 AromaticContact CZ-CE1 3.89Å; F122-F144 HydrophobicContact CZ-CE1 3.89Å; F122-H147 WeakPolarHBondContact CA-O 3.48Å; F122-H147 WeakPolarHBondContact CB-O 3.43Å; F122-H147 HydrophobicContact CD2-CB 4.04Å; F122-H147 PolarHBondContact N-O 3.15Å; F122-A149 HydrophobicContact CB-CB 3.78Å; F122-A149 WeakPolarHBondContact O-CA 3.26Å; F122-A364 HydrophobicContact CE1-CB 4.37Å; F122-A364 HydrophobicContact CZ-CB 3.65Å
123	T	96.8	Very high	94.2	Very high	92 Å²	92	42.7 Å²	42.7	56%	0.564	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	128.3	171.6	-63.8	0	0	0	0	110.7	D121 K125 G148	D121-T123 VanDerWaalsContact OD1-CB 3.26Å; D121-T123 WeakPolarHBondContact OD1-CB 3.39Å; D121-T123 PolarHBondContact OD1-N 2.87Å; D121-T123 PolarHBondContact OD1-OG1 3.18Å; D121-T123 PolarHBondContact OD2-OG1 3.4Å; T123-K125 VanDerWaalsContact C-N 3.27Å; T123-K125 PolarHBondContact O-N 3.09Å; T123-G148 WeakPolarHBondContact CA-O 3.45Å
124	G	96.9	Very high	93.9	Very high	55 Å²	55	44.9 Å²	44.9	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-5.8	-176.3	0	0	0	0	0	114.9	F122 H205	F122-G124 PolarHBondContact O-N 2.98Å; G124-H205 PolarHBondContact O-CE1 3.03Å
125	K	98.4	Very high	93.8	Very high	83 Å²	83	42.8 Å²	42.8	36%	0.361	26%	0.26	S	S	.	.			trans	-89	148.3	171.1	-56.3	-62.4	179.8	-179.8	0	110.8	F122 T123 H150 H205	F122-K125 HydrophobicContact CB-CB 4.23Å; F122-K125 HydrophobicContact CB-CG 4.43Å; F122-K125 HydrophobicContact CD1-CB 4.16Å; F122-K125 HydrophobicContact CD1-CG 4.1Å; F122-K125 WeakPolarHBondContact O-CA 3.43Å; F122-K125 VanDerWaalsContact O-CB 3.26Å; F122-K125 WeakPolarHBondContact O-CB 3.26Å; F122-K125 PolarHBondContact O-N 3.09Å; T123-K125 VanDerWaalsContact C-N 3.27Å; T123-K125 PolarHBondContact O-N 3.09Å; K125-H150 PolarHBondContact O-N 2.75Å; K125-H205 HydrophobicContact CB-CB 4.46Å; K125-H205 HydrophobicContact CD-CB 4.15Å; K125-H205 PolarHBondContact NZ-NE2 3.11Å
126	V	98.9	Very high	93.7	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.8	-178.2	179.4	0	0	0	0	108.4	H150 F197 V202 P203 H205 V206	V126-H150 CarbonylContact C-O 3.44Å; V126-H150 VanDerWaalsContact CA-O 3.3Å; V126-H150 WeakPolarHBondContact CA-O 3.46Å; V126-H150 HydrophobicContact CG2-CB 4.21Å; V126-F197 HydrophobicContact CG1-CE2 4.31Å; V126-F197 HydrophobicContact CG1-CZ 4.44Å; V126-V202 HydrophobicContact CG1-CG2 4.26Å; V126-V202 HydrophobicContact CG2-CB 4.3Å; V126-P203 WeakPolarHBondContact CB-O 3.43Å; V126-P203 WeakPolarHBondContact CG1-O 3.37Å; V126-P203 HydrophobicContact CG2-CG 3.89Å; V126-P203 VanDerWaalsContact CG2-O 3.3Å; V126-P203 WeakPolarHBondContact CG2-O 3.22Å; V126-H205 PolarHBondContact N-ND1 3.42Å; V126-H205 VanDerWaalsContact N-ND1 3.18Å; V126-H205 PolarHBondContact O-N 3.3Å; V126-V206 PolarHBondContact O-N 2.95Å; V126-V206 VanDerWaalsContact O-N 3.15Å
127	V	98.9	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.9	-174	-176.2	0	0	0	0	109.3	V129 F144 A149 H150 V151 I152 V206	V127-V129 HydrophobicContact CG1-CG2 3.86Å; V127-F144 HydrophobicContact CG1-CD2 3.97Å; V127-F144 HydrophobicContact CG1-CE2 4.4Å; V127-F144 HydrophobicContact CG1-CG 4.27Å; V127-F144 HydrophobicContact CG2-CB 4.25Å; V127-F144 HydrophobicContact CG2-CD1 4.01Å; V127-F144 HydrophobicContact CG2-CD2 4.46Å; V127-F144 HydrophobicContact CG2-CG 3.99Å; V127-A149 HydrophobicContact CG2-CB 4Å; V127-H150 PolarHBondContact N-O 3.11Å; V127-V151 HydrophobicContact CB-CG2 4.39Å; V127-V151 CarbonylContact O-C 3.52Å; V127-V151 WeakPolarHBondContact O-CA 3.34Å; V127-I152 PolarHBondContact O-N 3.16Å; V127-V206 WeakPolarHBondContact CA-O 3.2Å; V127-V206 HydrophobicContact CB-CB 4.37Å; V127-V206 HydrophobicContact CG1-CB 4.01Å; V127-V206 HydrophobicContact CG1-CG1 4.09Å; V127-V206 HydrophobicContact CG2-CB 4.04Å; V127-V206 HydrophobicContact CG2-CG2 4.35Å
128	V	98.9	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.4	171.1	174.9	0	0	0	0	108.5	I152 A154 F193 F197 L204 V206 L207 V208	V128-I152 HydrophobicContact CG2-CB 4.09Å; V128-I152 HydrophobicContact CG2-CD1 4.23Å; V128-A154 HydrophobicContact CG1-CB 4.15Å; V128-F193 HydrophobicContact CG1-CE1 4.28Å; V128-F193 HydrophobicContact CG1-CZ 3.82Å; V128-F197 HydrophobicContact CG2-CD2 4.2Å; V128-F197 HydrophobicContact CG2-CE2 3.83Å; V128-F197 HydrophobicContact CG2-CZ 4.3Å; V128-L204 HydrophobicContact CB-CD1 4.06Å; V128-L204 HydrophobicContact CG2-CD1 3.55Å; V128-V206 PolarHBondContact N-O 2.81Å; V128-L207 HydrophobicContact CB-CD1 3.83Å; V128-L207 HydrophobicContact CG1-CD1 3.72Å; V128-V208 PolarHBondContact O-N 2.69Å
129	V	98.9	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.5	176.6	-171.3	0	0	0	0	109.7	V127 A132 T140 A141 V151 I152 A154 V208 N210	V127-V129 HydrophobicContact CG1-CG2 3.86Å; V129-A132 HydrophobicContact CB-CB 3.8Å; V129-A132 HydrophobicContact CG1-CB 3.77Å; V129-A132 WeakPolarHBondContact O-CB 3.45Å; V129-T140 HydrophobicContact CG1-CG2 4.44Å; V129-T140 HydrophobicContact CG2-CG2 4.25Å; V129-A141 HydrophobicContact CB-CB 4.35Å; V129-A141 HydrophobicContact CG2-CB 4.15Å; V129-V151 HydrophobicContact CG2-CG1 4.43Å; V129-I152 PolarHBondContact N-O 3.4Å; V129-A154 PolarHBondContact O-N 3.34Å; V129-V208 HydrophobicContact CB-CB 4.41Å; V129-V208 HydrophobicContact CG1-CB 4.12Å; V129-V208 HydrophobicContact CG1-CG1 4.27Å; V129-V208 HydrophobicContact CG2-CB 4.22Å; V129-V208 HydrophobicContact CG2-CG2 4.23Å; V129-N210 HydrophobicContact CG1-CB 4.34Å
130	T	98.6	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139	175.6	66.4	0	0	0	0	111.3	A132 A154 L182 V208 N210 A211 H236 L239	T130-A132 VanDerWaalsContact C-N 3.35Å; T130-A132 PolarHBondContact O-N 3.1Å; T130-A154 CarbonylContact C-O 3.6Å; T130-A154 WeakPolarHBondContact CA-O 3.26Å; T130-A154 HydrophobicContact CG2-CB 4.4Å; T130-L182 HydrophobicContact CG2-CD2 3.68Å; T130-V208 PolarHBondContact N-O 2.83Å; T130-V208 PolarHBondContact OG1-O 2.96Å; T130-N210 WeakPolarHBondContact O-CB 3.25Å; T130-N210 PolarHBondContact O-ND2 2.82Å; T130-N210 PolarHBondContact OG1-N 3.34Å; T130-A211 PolarHBondContact O-N 2.93Å; T130-A211 PolarHBondContact OG1-N 3.4Å; T130-H236 PolarHBondContact OG1-NE2 2.77Å; T130-L239 HydrophobicContact CG2-CD2 3.59Å
131	G	93.3	Very high	95.3	Very high	19 Å²	19	25.8 Å²	25.8	20%	0.196	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	35.7	178.6	0	0	0	0	0	113.4	N133 A154 N210	G131-N133 PolarHBondContact O-N 3.27Å; G131-A154 PolarHBondContact N-O 3.08Å; G131-N210 PolarHBondContact O-ND2 3.39Å
132	A	95	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10	-170.8	0	0	0	0	0	115.2	V129 T130 S134 F138 A141 L153 C155	V129-A132 HydrophobicContact CB-CB 3.8Å; V129-A132 HydrophobicContact CG1-CB 3.77Å; V129-A132 WeakPolarHBondContact O-CB 3.45Å; T130-A132 VanDerWaalsContact C-N 3.35Å; T130-A132 PolarHBondContact O-N 3.1Å; A132-S134 VanDerWaalsContact C-N 3.3Å; A132-S134 PolarHBondContact O-N 2.76Å; A132-F138 WeakPolarHBondContact O-CA 3.32Å; A132-F138 WeakPolarHBondContact O-CB 3.17Å; A132-A141 HydrophobicContact CB-CB 3.97Å; A132-L153 HydrophobicContact CB-CB 4.02Å; A132-L153 HydrophobicContact CB-CD2 4.33Å; A132-L153 HydrophobicContact CB-CG 3.7Å; A132-L153 WeakPolarHBondContact O-CD2 3.41Å; A132-C155 PolarHBondContact N-SG 2.95Å
133	N	87.6	Confident	95.6	Very high	26 Å²	26	20.4 Å²	20.4	14%	0.139	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.8	178	70.6	-78.2	0	0	0	113.6	G131 C155 R160 A161 A164	G131-N133 PolarHBondContact O-N 3.27Å; N133-C155 HydrophobicContact CB-CB 4.41Å; N133-C155 PolarHBondContact N-SG 3.37Å; N133-R160 HydrophobicContact CB-CB 4.32Å; N133-A161 HydrophobicContact CB-CB 4.36Å; N133-A164 HydrophobicContact CB-CB 4.34Å
134	S	86.3	Confident	95.7	Very high	46 Å²	46	16 Å²	16	32%	0.322	11%	0.105	S	C	.	.	S	Bend	trans	-162.8	165.1	176.7	59.3	0	0	0	0	112.6	A132 F138	A132-S134 VanDerWaalsContact C-N 3.3Å; A132-S134 PolarHBondContact O-N 2.76Å; S134-F138 VanDerWaalsContact C-CB 3.46Å; S134-F138 PolarHBondContact O-N 2.85Å
135	G	89.2	Confident	95.7	Very high	20 Å²	20	13.4 Å²	13.4	21%	0.206	8%	0.078	C	C	.	.	H	α-helix	trans	60.7	-143.7	170.2	0	0	0	0	0	114.1	G137 F138 E139 M352	G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 2.91Å; G135-F138 WeakPolarHBondContact O-CB 3.37Å; G135-F138 PolarHBondContact O-N 3.48Å; G135-F138 VanDerWaalsContact O-N 3.1Å; G135-E139 PolarHBondContact O-N 2.75Å; G135-M352 VanDerWaalsContact CA-SD 3.56Å
136	I	89.3	Confident	95.7	Very high	22 Å²	22	11.5 Å²	11.5	11%	0.113	7%	0.072	C	C	.	.	H	α-helix	trans	-55.8	-42.9	-177.4	-61	157	0	0	0	111.7	F138 E139 T140 P323 M327 M352 A356	I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.36Å; I136-E139 PolarHBondContact O-N 3.48Å; I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 3.47Å; I136-T140 PolarHBondContact O-OG1 2.88Å; I136-P323 HydrophobicContact CD1-CB 3.71Å; I136-P323 HydrophobicContact CD1-CG 3.82Å; I136-P323 HydrophobicContact CG1-CB 4.5Å; I136-P323 HydrophobicContact CG2-CB 4.42Å; I136-M327 HydrophobicContact CD1-CE 3.95Å; I136-M327 HydrophobicContact CD1-SD 3.5Å; I136-M327 VanDerWaalsContact CD1-SD 3.5Å; I136-M327 HydrophobicContact CG1-CE 3.78Å; I136-M327 HydrophobicContact CG1-SD 3.99Å; I136-M352 HydrophobicContact CG1-SD 4.39Å; I136-A356 HydrophobicContact CG2-CB 4.26Å
137	G	92.8	Very high	95.6	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-39.8	178.9	0	0	0	0	0	112.5	G135 T140 A141 N210	G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 2.91Å; G137-T140 PolarHBondContact O-N 3.14Å; G137-A141 WeakPolarHBondContact O-CB 3.38Å; G137-A141 PolarHBondContact O-N 2.93Å; G137-N210 VanDerWaalsContact CA-ND2 3.3Å; G137-N210 WeakPolarHBondContact CA-ND2 3.23Å; G137-N210 PolarHBondContact N-OD1 3.35Å
138	F	96.9	Very high	95.5	Very high	2 Å²	2	14 Å²	14	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-64.6	-47.9	175.3	174.7	-99.8	0	0	0	111.9	A132 S134 G135 I136 T140 A141 K142 A164 R167 I168	A132-F138 WeakPolarHBondContact O-CA 3.32Å; A132-F138 WeakPolarHBondContact O-CB 3.17Å; S134-F138 VanDerWaalsContact C-CB 3.46Å; S134-F138 PolarHBondContact O-N 2.85Å; G135-F138 WeakPolarHBondContact O-CB 3.37Å; G135-F138 PolarHBondContact O-N 3.48Å; G135-F138 VanDerWaalsContact O-N 3.1Å; I136-F138 VanDerWaalsContact C-N 3.34Å; I136-F138 PolarHBondContact O-N 3.36Å; F138-T140 VanDerWaalsContact C-N 3.31Å; F138-T140 PolarHBondContact O-N 2.91Å; F138-A141 PolarHBondContact O-N 2.91Å; F138-K142 HydrophobicContact CE1-CD 3.98Å; F138-K142 HydrophobicContact CZ-CD 4.21Å; F138-K142 WeakPolarHBondContact O-CB 3.36Å; F138-K142 PolarHBondContact O-N 3.05Å; F138-A164 HydrophobicContact CD2-CB 3.79Å; F138-A164 HydrophobicContact CE2-CB 3.86Å; F138-A164 WeakPolarHBondContact CE2-O 3.33Å; F138-R167 HydrophobicContact CE2-CB 4.5Å; F138-R167 HydrophobicContact CZ-CB 4.19Å; F138-R167 VanDerWaalsContact CZ-CZ 3.49Å; F138-I168 HydrophobicContact CD2-CD1 4.49Å; F138-I168 HydrophobicContact CE2-CD1 3.96Å; F138-I168 HydrophobicContact CE2-CG1 3.83Å; F138-I168 HydrophobicContact CZ-CG1 4.07Å
139	E	97.1	Very high	95.5	Very high	28 Å²	28	14 Å²	14	13%	0.131	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-36.6	178.6	-64.4	-51.9	150.3	0	0	111.8	G135 I136 S143 M352 Q353 A356	G135-E139 PolarHBondContact O-N 2.75Å; I136-E139 PolarHBondContact O-N 3.48Å; E139-S143 WeakPolarHBondContact O-CB 3.26Å; E139-S143 PolarHBondContact O-N 2.82Å; E139-S143 PolarHBondContact O-OG 3.41Å; E139-M352 HydrophobicContact CG-CB 3.5Å; E139-Q353 HydrophobicContact CB-CG 4.25Å; E139-Q353 HydrophobicContact CG-CG 4.05Å; E139-Q353 WeakPolarHBondContact OE2-CG 3.43Å; E139-Q353 PolarHBondContact OE2-NE2 2.9Å; E139-A356 HydrophobicContact CB-CB 3.99Å
140	T	98.1	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-51.6	171.8	-57.3	0	0	0	0	111.2	V129 I136 G137 F138 S143 F144 V208 A356 T359 V360	V129-T140 HydrophobicContact CG1-CG2 4.44Å; V129-T140 HydrophobicContact CG2-CG2 4.25Å; I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 3.47Å; I136-T140 PolarHBondContact O-OG1 2.88Å; G137-T140 PolarHBondContact O-N 3.14Å; F138-T140 VanDerWaalsContact C-N 3.31Å; F138-T140 PolarHBondContact O-N 2.91Å; T140-S143 PolarHBondContact O-N 2.62Å; T140-F144 HydrophobicContact CG2-CD2 4.2Å; T140-F144 HydrophobicContact CG2-CE2 4.15Å; T140-F144 WeakPolarHBondContact O-CD2 3.27Å; T140-F144 PolarHBondContact O-N 3.03Å; T140-V208 HydrophobicContact CG2-CG2 4.33Å; T140-A356 WeakPolarHBondContact OG1-CB 3.43Å; T140-T359 HydrophobicContact CG2-CG2 4.04Å; T140-V360 HydrophobicContact CG2-CG2 3.93Å
141	A	98.5	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-45.7	-179	0	0	0	0	0	111.9	V129 A132 G137 F138 F144 A145 V151 L153	V129-A141 HydrophobicContact CB-CB 4.35Å; V129-A141 HydrophobicContact CG2-CB 4.15Å; A132-A141 HydrophobicContact CB-CB 3.97Å; G137-A141 WeakPolarHBondContact O-CB 3.38Å; G137-A141 PolarHBondContact O-N 2.93Å; F138-A141 PolarHBondContact O-N 2.91Å; A141-F144 PolarHBondContact O-N 3.37Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.37Å; A141-V151 HydrophobicContact CB-CG1 3.76Å; A141-L153 HydrophobicContact CB-CD1 4.11Å; A141-L153 HydrophobicContact CB-CG 4.21Å
142	K	98.3	Very high	95.8	Very high	28 Å²	28	15 Å²	15	12%	0.122	9%	0.089	C	C	.	.	H	α-helix	trans	-58.3	-48.7	175.8	176.1	-180	165.4	177.8	0	111	F138 F144 A145 L146 I168 E171	F138-K142 HydrophobicContact CE1-CD 3.98Å; F138-K142 HydrophobicContact CZ-CD 4.21Å; F138-K142 WeakPolarHBondContact O-CB 3.36Å; F138-K142 PolarHBondContact O-N 3.05Å; K142-F144 PolarHBondContact O-N 3.2Å; K142-A145 PolarHBondContact O-N 3Å; K142-L146 HydrophobicContact CD-CD1 4.43Å; K142-L146 HydrophobicContact CG-CD1 3.83Å; K142-L146 HydrophobicContact CG-CG 4.19Å; K142-L146 WeakPolarHBondContact O-CB 3.36Å; K142-L146 VanDerWaalsContact O-CG 3.32Å; K142-L146 WeakPolarHBondContact O-CG 3.41Å; K142-L146 PolarHBondContact O-N 3.43Å; K142-I168 HydrophobicContact CB-CD1 4.12Å; K142-I168 HydrophobicContact CB-CG1 4.04Å; K142-I168 HydrophobicContact CG-CG1 4.21Å; K142-E171 VanDerWaalsContact CE-CD 3.42Å; K142-E171 VanDerWaalsContact CE-OE1 3.23Å; K142-E171 WeakPolarHBondContact CE-OE1 3.21Å; K142-E171 WeakPolarHBondContact CE-OE2 3.36Å; K142-E171 IonicContact NZ-OE1 2.74Å; K142-E171 PolarHBondContact NZ-OE1 3.07Å; K142-E171 IonicContact NZ-OE2 2.9Å; K142-E171 PolarHBondContact NZ-OE2 2.86Å
143	S	98.2	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-47.6	179	-69.5	0	0	0	0	111.6	A113 M114 E139 T140 A145 H147 Q353	A113-S143 WeakPolarHBondContact CB-OG 3.44Å; M114-S143 PolarHBondContact SD-OG 3.49Å; E139-S143 WeakPolarHBondContact O-CB 3.26Å; E139-S143 PolarHBondContact O-N 2.82Å; E139-S143 PolarHBondContact O-OG 3.41Å; T140-S143 PolarHBondContact O-N 2.62Å; S143-A145 PolarHBondContact O-N 3.26Å; S143-H147 PolarHBondContact O-N 3.37Å; S143-H147 PolarHBondContact O-ND1 2.91Å; S143-Q353 PolarHBondContact OG-NE2 2.92Å
144	F	98.7	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-40.7	176	-80.7	-67.6	0	0	0	113.5	L117 F122 V127 T140 A141 K142 L146 H147 G148 A149 V151 V360 A363 A364	L117-F144 HydrophobicContact CD1-CD1 4.07Å; L117-F144 HydrophobicContact CD1-CE1 4.21Å; L117-F144 HydrophobicContact CD1-CG 4.4Å; L117-F144 HydrophobicContact CD2-CE1 4.35Å; F122-F144 HydrophobicContact CD1-CD1 4.05Å; F122-F144 AromaticContact CD1-CE1 3.99Å; F122-F144 HydrophobicContact CD1-CE1 3.99Å; F122-F144 HydrophobicContact CD2-CD1 4.43Å; F122-F144 HydrophobicContact CE1-CD1 4.21Å; F122-F144 AromaticContact CE1-CE1 3.68Å; F122-F144 HydrophobicContact CE1-CE1 3.68Å; F122-F144 HydrophobicContact CE2-CE1 4.35Å; F122-F144 HydrophobicContact CG-CD1 4.18Å; F122-F144 HydrophobicContact CG-CE1 4.45Å; F122-F144 HydrophobicContact CZ-CD1 4.48Å; F122-F144 AromaticContact CZ-CE1 3.89Å; F122-F144 HydrophobicContact CZ-CE1 3.89Å; V127-F144 HydrophobicContact CG1-CD2 3.97Å; V127-F144 HydrophobicContact CG1-CE2 4.4Å; V127-F144 HydrophobicContact CG1-CG 4.27Å; V127-F144 HydrophobicContact CG2-CB 4.25Å; V127-F144 HydrophobicContact CG2-CD1 4.01Å; V127-F144 HydrophobicContact CG2-CD2 4.46Å; V127-F144 HydrophobicContact CG2-CG 3.99Å; T140-F144 HydrophobicContact CG2-CD2 4.2Å; T140-F144 HydrophobicContact CG2-CE2 4.15Å; T140-F144 WeakPolarHBondContact O-CD2 3.27Å; T140-F144 PolarHBondContact O-N 3.03Å; A141-F144 PolarHBondContact O-N 3.37Å; K142-F144 PolarHBondContact O-N 3.2Å; F144-L146 PolarHBondContact O-N 3.08Å; F144-H147 CarbonylContact O-C 3.58Å; F144-H147 PolarHBondContact O-N 3.14Å; F144-H147 VanDerWaalsContact O-N 3.16Å; F144-G148 PolarHBondContact O-N 3.31Å; F144-A149 HydrophobicContact CB-CB 3.97Å; F144-A149 VanDerWaalsContact O-CB 3.27Å; F144-A149 WeakPolarHBondContact O-CB 3.37Å; F144-A149 PolarHBondContact O-N 3.01Å; F144-A149 VanDerWaalsContact O-N 3.11Å; F144-V151 HydrophobicContact CB-CG2 3.76Å; F144-V360 HydrophobicContact CE2-CG1 4.47Å; F144-V360 HydrophobicContact CE2-CG2 4.01Å; F144-V360 HydrophobicContact CZ-CG1 4.31Å; F144-A363 HydrophobicContact CE2-CB 4.08Å; F144-A363 HydrophobicContact CZ-CB 3.61Å; F144-A364 HydrophobicContact CE1-CB 4.43Å; F144-A364 HydrophobicContact CZ-CB 4.43Å
145	A	98.4	Very high	97	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-41	-178.6	0	0	0	0	0	112.1	A141 K142 S143 H147 G148 V151 I168 A175 V177	A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.37Å; K142-A145 PolarHBondContact O-N 3Å; S143-A145 PolarHBondContact O-N 3.26Å; A145-H147 PolarHBondContact O-N 3.02Å; A145-G148 PolarHBondContact O-N 3.15Å; A145-V151 HydrophobicContact CB-CB 4.29Å; A145-V151 HydrophobicContact CB-CG2 3.78Å; A145-I168 HydrophobicContact CB-CG2 3.83Å; A145-A175 HydrophobicContact CB-CB 4.38Å; A145-V177 HydrophobicContact CB-CB 4.46Å
146	L	97.3	Very high	97.2	Very high	44 Å²	44	19.1 Å²	19.1	23%	0.23	9%	0.09	C	C	.	.	H	α-helix	trans	-69.4	-18.3	176.6	-65.5	-177.2	0	0	0	113.1	M114 K142 F144 E171 W172	M114-L146 HydrophobicContact CE-CB 4.21Å; M114-L146 HydrophobicContact CE-CD1 3.49Å; M114-L146 VanDerWaalsContact CE-CD1 3.49Å; M114-L146 HydrophobicContact CE-CG 4.5Å; M114-L146 HydrophobicContact SD-CD1 4.33Å; K142-L146 HydrophobicContact CD-CD1 4.43Å; K142-L146 HydrophobicContact CG-CD1 3.83Å; K142-L146 HydrophobicContact CG-CG 4.19Å; K142-L146 WeakPolarHBondContact O-CB 3.36Å; K142-L146 VanDerWaalsContact O-CG 3.32Å; K142-L146 WeakPolarHBondContact O-CG 3.41Å; K142-L146 PolarHBondContact O-N 3.43Å; F144-L146 PolarHBondContact O-N 3.08Å; L146-E171 HydrophobicContact CD2-CB 4.42Å; L146-W172 HydrophobicContact CD2-CB 3.45Å; L146-W172 VanDerWaalsContact CD2-CB 3.45Å; L146-W172 HydrophobicContact CD2-CG 4.35Å
147	H	97.6	Very high	97.4	Very high	32 Å²	32	21.7 Å²	21.7	15%	0.148	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	21.3	174.3	-64.6	77.1	0	0	0	112.3	L117 R120 F122 S143 F144 A145	L117-H147 WeakPolarHBondContact CB-NE2 3.29Å; L117-H147 HydrophobicContact CD1-CB 4.38Å; L117-H147 PolarHBondContact O-CD2 2.94Å; L117-H147 PolarHBondContact O-NE2 2.88Å; R120-H147 PolarHBondContact O-CD2 3.15Å; F122-H147 WeakPolarHBondContact CA-O 3.48Å; F122-H147 WeakPolarHBondContact CB-O 3.43Å; F122-H147 HydrophobicContact CD2-CB 4.04Å; F122-H147 PolarHBondContact N-O 3.15Å; S143-H147 PolarHBondContact O-N 3.37Å; S143-H147 PolarHBondContact O-ND1 2.91Å; F144-H147 CarbonylContact O-C 3.58Å; F144-H147 PolarHBondContact O-N 3.14Å; F144-H147 VanDerWaalsContact O-N 3.16Å; A145-H147 PolarHBondContact O-N 3.02Å
148	G	97.4	Very high	97.6	Very high	25 Å²	25	24.9 Å²	24.9	26%	0.258	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-3.4	168.2	0	0	0	0	0	116.3	T123 F144 A145	T123-G148 WeakPolarHBondContact CA-O 3.45Å; F144-G148 PolarHBondContact O-N 3.31Å; A145-G148 PolarHBondContact O-N 3.15Å
149	A	98.6	Very high	97.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.			trans	-67.1	150.9	176.9	0	0	0	0	0	112.2	F122 V127 F144 V151	F122-A149 HydrophobicContact CB-CB 3.78Å; F122-A149 WeakPolarHBondContact O-CA 3.26Å; V127-A149 HydrophobicContact CG2-CB 4Å; F144-A149 HydrophobicContact CB-CB 3.97Å; F144-A149 VanDerWaalsContact O-CB 3.27Å; F144-A149 WeakPolarHBondContact O-CB 3.37Å; F144-A149 PolarHBondContact O-N 3.01Å; F144-A149 VanDerWaalsContact O-N 3.11Å; A149-V151 HydrophobicContact CB-CG2 3.89Å; A149-V151 PolarHBondContact O-N 3.5Å
150	H	98.8	Very high	97.5	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.185	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.7	160.6	-179.7	-171.5	0	0	0	109.1	K125 V126 V127 K176 E178	K125-H150 PolarHBondContact O-N 2.75Å; V126-H150 CarbonylContact C-O 3.44Å; V126-H150 VanDerWaalsContact CA-O 3.3Å; V126-H150 WeakPolarHBondContact CA-O 3.46Å; V126-H150 HydrophobicContact CG2-CB 4.21Å; V127-H150 PolarHBondContact N-O 3.11Å; H150-K176 CarbonylContact C-O 3.43Å; H150-K176 VanDerWaalsContact CA-O 3.25Å; H150-K176 WeakPolarHBondContact CA-O 3.17Å; H150-K176 HydrophobicContact CB-CB 4.03Å; H150-E178 IonicContact CE1-OE1 2.61Å; H150-E178 PolarHBondContact CE1-OE1 3.18Å; H150-E178 IonicContact NE2-OE1 2.69Å; H150-E178 PolarHBondContact NE2-OE1 3.03Å
151	V	98.9	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	-173.8	-171	0	0	0	0	111.5	V127 V129 A141 F144 A145 A149 L153 K176 V177 E178	V127-V151 HydrophobicContact CB-CG2 4.39Å; V127-V151 CarbonylContact O-C 3.52Å; V127-V151 WeakPolarHBondContact O-CA 3.34Å; V129-V151 HydrophobicContact CG2-CG1 4.43Å; A141-V151 HydrophobicContact CB-CG1 3.76Å; F144-V151 HydrophobicContact CB-CG2 3.76Å; A145-V151 HydrophobicContact CB-CB 4.29Å; A145-V151 HydrophobicContact CB-CG2 3.78Å; A149-V151 HydrophobicContact CB-CG2 3.89Å; A149-V151 PolarHBondContact O-N 3.5Å; V151-L153 HydrophobicContact CG1-CD1 4.06Å; V151-K176 PolarHBondContact N-O 3.16Å; V151-V177 HydrophobicContact CB-CG2 4.47Å; V151-V177 WeakPolarHBondContact O-CA 3.25Å; V151-E178 PolarHBondContact O-N 3.49Å
152	I	98.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.5	175.3	-60.3	178.8	0	0	0	109.1	V127 V128 V129 A154 E178 M180 F193 F197	V127-I152 PolarHBondContact O-N 3.16Å; V128-I152 HydrophobicContact CG2-CB 4.09Å; V128-I152 HydrophobicContact CG2-CD1 4.23Å; V129-I152 PolarHBondContact N-O 3.4Å; I152-A154 PolarHBondContact O-N 2.8Å; I152-E178 WeakPolarHBondContact CA-O 3.39Å; I152-E178 HydrophobicContact CG1-CG 4.01Å; I152-M180 HydrophobicContact CD1-SD 3.94Å; I152-M180 HydrophobicContact CG2-CB 3.86Å; I152-M180 HydrophobicContact CG2-CG 3.8Å; I152-M180 HydrophobicContact CG2-SD 3.51Å; I152-M180 VanDerWaalsContact CG2-SD 3.51Å; I152-F193 HydrophobicContact CG2-CE2 4.35Å; I152-F193 HydrophobicContact CG2-CZ 4.37Å; I152-F197 HydrophobicContact CD1-CD2 3.4Å; I152-F197 HydrophobicContact CD1-CE2 3.36Å
153	L	98.8	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	96.3	173.8	-75.4	69.2	0	0	0	108.4	A132 A141 V151 C155 A164 V165 I168 V177 E178 A179 M180	A132-L153 HydrophobicContact CB-CB 4.02Å; A132-L153 HydrophobicContact CB-CD2 4.33Å; A132-L153 HydrophobicContact CB-CG 3.7Å; A132-L153 WeakPolarHBondContact O-CD2 3.41Å; A141-L153 HydrophobicContact CB-CD1 4.11Å; A141-L153 HydrophobicContact CB-CG 4.21Å; V151-L153 HydrophobicContact CG1-CD1 4.06Å; L153-C155 PolarHBondContact O-N 3.19Å; L153-A164 HydrophobicContact CD2-CB 3.82Å; L153-V165 HydrophobicContact CD2-CG2 4.22Å; L153-I168 HydrophobicContact CD2-CD1 4.48Å; L153-V177 HydrophobicContact CD1-CG2 3.31Å; L153-E178 PolarHBondContact N-O 3.39Å; L153-A179 WeakPolarHBondContact O-CA 3.29Å; L153-M180 PolarHBondContact O-N 3.34Å
154	A	98.6	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	103.1	179.6	0	0	0	0	0	110.4	V128 V129 T130 G131 I152 M180 L182 F193	V128-A154 HydrophobicContact CG1-CB 4.15Å; V129-A154 PolarHBondContact O-N 3.34Å; T130-A154 CarbonylContact C-O 3.6Å; T130-A154 WeakPolarHBondContact CA-O 3.26Å; T130-A154 HydrophobicContact CG2-CB 4.4Å; G131-A154 PolarHBondContact N-O 3.08Å; I152-A154 PolarHBondContact O-N 2.8Å; A154-M180 WeakPolarHBondContact CA-O 3.37Å; A154-L182 HydrophobicContact CB-CB 4.03Å; A154-L182 HydrophobicContact CB-CD2 3.64Å; A154-F193 HydrophobicContact CB-CD2 4.27Å; A154-F193 HydrophobicContact CB-CE2 3.39Å; A154-F193 HydrophobicContact CB-CZ 3.55Å
155	C	95.9	Very high	97.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.5	-166.6	-59.5	0	0	0	0	112.9	A132 N133 L153 A161 M180 A181 L182	A132-C155 PolarHBondContact N-SG 2.95Å; N133-C155 HydrophobicContact CB-CB 4.41Å; N133-C155 PolarHBondContact N-SG 3.37Å; L153-C155 PolarHBondContact O-N 3.19Å; C155-A161 HydrophobicContact CB-CB 3.65Å; C155-M180 PolarHBondContact N-O 3.17Å; C155-A181 WeakPolarHBondContact O-CA 3.36Å; C155-L182 CarbonylContact C-O 3.43Å; C155-L182 VanDerWaalsContact C-O 3.24Å; C155-L182 PolarHBondContact O-N 3.21Å
156	R	93.9	Very high	97.4	Very high	177 Å²	177	41.7 Å²	41.7	67%	0.668	22%	0.223	S	C	*	.	S	Bend	trans	-71.5	-41.7	176.5	-178	178.7	68	-172.2	0	112.9	L182 D183	R156-L182 VanDerWaalsContact CA-O 3.25Å; R156-L182 WeakPolarHBondContact CA-O 3.49Å; R156-L182 PolarHBondContact N-O 2.82Å; R156-D183 HydrophobicContact CB-CB 4.49Å; R156-D183 WeakPolarHBondContact CD-OD1 3.27Å; R156-D183 VanDerWaalsContact CD-OD2 3.25Å; R156-D183 WeakPolarHBondContact CD-OD2 3.35Å; R156-D183 HydrophobicContact CG-CB 3.97Å
157	N	93.8	Very high	97.4	Very high	75 Å²	75	44.1 Å²	44.1	40%	0.401	23%	0.229	S	C	.	.			trans	-100	103.1	-178	-176	-47.5	0	0	0	109.8	A159 R160 A161	N157-A159 VanDerWaalsContact C-N 3.33Å; N157-A159 PolarHBondContact O-N 3.37Å; N157-A159 WeakPolarHBondContact OD1-CB 3.34Å; N157-A159 PolarHBondContact OD1-N 3.27Å; N157-A159 VanDerWaalsContact OD1-N 3.11Å; N157-R160 HydrophobicContact CB-CB 4.41Å; N157-R160 HydrophobicContact CB-CG 4.5Å; N157-R160 PolarHBondContact O-N 2.75Å; N157-R160 PolarHBondContact OD1-N 3.32Å; N157-A161 WeakPolarHBondContact O-CB 3.45Å; N157-A161 PolarHBondContact O-N 2.65Å
158	M	97.8	Very high	97.4	Very high	68 Å²	68	42.6 Å²	42.6	34%	0.335	22%	0.222	S	C	.	.	H	α-helix	trans	-68.6	-27.6	-176.3	-72.3	-56.2	-62.1	0	0	114.1	A161 S162 A179 M180 A181	M158-A161 PolarHBondContact O-N 3.07Å; M158-A161 HydrophobicContact SD-CB 4.46Å; M158-S162 WeakPolarHBondContact O-CB 3.31Å; M158-S162 PolarHBondContact O-N 2.96Å; M158-S162 PolarHBondContact O-OG 3.23Å; M158-A179 HydrophobicContact CE-CB 3.63Å; M158-A179 HydrophobicContact SD-CB 4.45Å; M158-M180 VanDerWaalsContact SD-C 3.55Å; M158-A181 HydrophobicContact CG-CB 3.94Å; M158-A181 VanDerWaalsContact SD-CA 3.55Å; M158-A181 HydrophobicContact SD-CB 3.84Å; M158-A181 PolarHBondContact SD-N 2.91Å; M158-A181 VanDerWaalsContact SD-N 3.39Å
159	A	97.7	Very high	97.4	Very high	75 Å²	75	44.3 Å²	44.3	62%	0.62	22%	0.224	S	C	*	.	H	α-helix	trans	-64.9	-49.7	175.1	0	0	0	0	0	110.7	N157 A161 S162 E163	N157-A159 VanDerWaalsContact C-N 3.33Å; N157-A159 PolarHBondContact O-N 3.37Å; N157-A159 WeakPolarHBondContact OD1-CB 3.34Å; N157-A159 PolarHBondContact OD1-N 3.27Å; N157-A159 VanDerWaalsContact OD1-N 3.11Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.83Å; A159-S162 PolarHBondContact O-N 3.47Å; A159-E163 PolarHBondContact O-N 2.83Å
160	R	93.6	Very high	97.3	Very high	79 Å²	79	51.7 Å²	51.7	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-32.7	176.3	-64.6	-175.2	72	-173.4	-1	112.6	N133 N157 A164	N133-R160 HydrophobicContact CB-CB 4.32Å; N157-R160 HydrophobicContact CB-CB 4.41Å; N157-R160 HydrophobicContact CB-CG 4.5Å; N157-R160 PolarHBondContact O-N 2.75Å; N157-R160 PolarHBondContact OD1-N 3.32Å; R160-A164 WeakPolarHBondContact O-CB 3.44Å; R160-A164 PolarHBondContact O-N 2.88Å
161	A	96.3	Very high	97.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-41	175.2	0	0	0	0	0	111.4	N133 C155 N157 M158 A159 A164 V165 A179	N133-A161 HydrophobicContact CB-CB 4.36Å; C155-A161 HydrophobicContact CB-CB 3.65Å; N157-A161 WeakPolarHBondContact O-CB 3.45Å; N157-A161 PolarHBondContact O-N 2.65Å; M158-A161 PolarHBondContact O-N 3.07Å; M158-A161 HydrophobicContact SD-CB 4.46Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.83Å; A161-A164 WeakPolarHBondContact O-CB 3.35Å; A161-A164 PolarHBondContact O-N 3.22Å; A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 2.66Å; A161-A179 HydrophobicContact CB-CB 3.64Å
162	S	98.1	Very high	96.9	Very high	59 Å²	59	60.5 Å²	60.5	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-65.2	-41.2	176	-55.4	0	0	0	0	111.5	M158 A159 A164 V165 S166	M158-S162 WeakPolarHBondContact O-CB 3.31Å; M158-S162 PolarHBondContact O-N 2.96Å; M158-S162 PolarHBondContact O-OG 3.23Å; A159-S162 PolarHBondContact O-N 3.47Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 2.95Å; S162-V165 WeakPolarHBondContact O-CB 3.17Å; S162-V165 PolarHBondContact O-N 2.76Å; S162-S166 PolarHBondContact O-N 2.81Å; S162-S166 PolarHBondContact O-OG 3.47Å
163	E	98.1	Very high	96.7	Very high	121 Å²	121	67 Å²	67	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-59.4	-42.7	172	-174.9	-171.6	178.2	0	0	111.9	A159 S166 R167	A159-E163 PolarHBondContact O-N 2.83Å; E163-S166 PolarHBondContact O-N 3.37Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.12Å
164	A	97.6	Very high	96.4	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-40	175.5	0	0	0	0	0	112.6	N133 F138 L153 R160 A161 S162 R167 I168	N133-A164 HydrophobicContact CB-CB 4.34Å; F138-A164 HydrophobicContact CD2-CB 3.79Å; F138-A164 HydrophobicContact CE2-CB 3.86Å; F138-A164 WeakPolarHBondContact CE2-O 3.33Å; L153-A164 HydrophobicContact CD2-CB 3.82Å; R160-A164 WeakPolarHBondContact O-CB 3.44Å; R160-A164 PolarHBondContact O-N 2.88Å; A161-A164 WeakPolarHBondContact O-CB 3.35Å; A161-A164 PolarHBondContact O-N 3.22Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 2.95Å; A164-R167 PolarHBondContact O-N 2.86Å; A164-I168 PolarHBondContact O-N 2.9Å
165	V	98.6	Very high	96.3	Very high	18 Å²	18	74.2 Å²	74.2	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-48.8	172.5	169	0	0	0	0	110.4	L153 A161 S162 R167 I168 L169 V177 A179	L153-V165 HydrophobicContact CD2-CG2 4.22Å; A161-V165 WeakPolarHBondContact O-CG2 3.27Å; A161-V165 PolarHBondContact O-N 2.66Å; S162-V165 WeakPolarHBondContact O-CB 3.17Å; S162-V165 PolarHBondContact O-N 2.76Å; V165-R167 VanDerWaalsContact C-N 3.33Å; V165-R167 PolarHBondContact O-N 2.86Å; V165-I168 PolarHBondContact O-N 3.03Å; V165-I168 VanDerWaalsContact O-N 3.13Å; V165-L169 HydrophobicContact CG1-CD1 3.77Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.2Å; V165-L169 PolarHBondContact O-N 3.25Å; V165-V177 HydrophobicContact CG1-CG1 4.15Å; V165-V177 HydrophobicContact CG2-CG2 4.27Å; V165-A179 HydrophobicContact CG2-CB 3.89Å
166	S	98.4	Very high	96.4	Very high	59 Å²	59	80.5 Å²	80.5	41%	0.413	39%	0.385	S	S	.	.	H	α-helix	trans	-57.1	-44.6	178	-61	0	0	0	0	112.2	S162 E163 I168 L169 E170	S162-S166 PolarHBondContact O-N 2.81Å; S162-S166 PolarHBondContact O-OG 3.47Å; E163-S166 PolarHBondContact O-N 3.37Å; S166-I168 VanDerWaalsContact C-N 3.29Å; S166-I168 PolarHBondContact O-N 3.45Å; S166-L169 CarbonylContact O-C 3.22Å; S166-L169 PolarHBondContact O-N 3.5Å; S166-L169 VanDerWaalsContact O-N 3.09Å; S166-E170 WeakPolarHBondContact O-CG 3.37Å; S166-E170 PolarHBondContact O-N 3.38Å
167	R	97.9	Very high	96.7	Very high	95 Å²	95	72.9 Å²	72.9	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-36.7	177.5	-71.3	169.2	62.1	-138.6	-6.5	113.1	F138 E163 A164 V165	F138-R167 HydrophobicContact CE2-CB 4.5Å; F138-R167 HydrophobicContact CZ-CB 4.19Å; F138-R167 VanDerWaalsContact CZ-CZ 3.49Å; E163-R167 WeakPolarHBondContact O-CG 3.41Å; E163-R167 PolarHBondContact O-N 3.12Å; A164-R167 PolarHBondContact O-N 2.86Å; V165-R167 VanDerWaalsContact C-N 3.33Å; V165-R167 PolarHBondContact O-N 2.86Å
168	I	97.7	Very high	96.9	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-41	175.7	-65.9	167.6	0	0	0	110.3	F138 K142 A145 L153 A164 V165 S166 E170 E171 W172 A175 V177	F138-I168 HydrophobicContact CD2-CD1 4.49Å; F138-I168 HydrophobicContact CE2-CD1 3.96Å; F138-I168 HydrophobicContact CE2-CG1 3.83Å; F138-I168 HydrophobicContact CZ-CG1 4.07Å; K142-I168 HydrophobicContact CB-CD1 4.12Å; K142-I168 HydrophobicContact CB-CG1 4.04Å; K142-I168 HydrophobicContact CG-CG1 4.21Å; A145-I168 HydrophobicContact CB-CG2 3.83Å; L153-I168 HydrophobicContact CD2-CD1 4.48Å; A164-I168 PolarHBondContact O-N 2.9Å; V165-I168 PolarHBondContact O-N 3.03Å; V165-I168 VanDerWaalsContact O-N 3.13Å; S166-I168 VanDerWaalsContact C-N 3.29Å; S166-I168 PolarHBondContact O-N 3.45Å; I168-E170 VanDerWaalsContact C-N 3.33Å; I168-E171 PolarHBondContact O-N 3.15Å; I168-W172 PolarHBondContact O-N 3.25Å; I168-A175 HydrophobicContact CG2-CB 4.01Å; I168-V177 HydrophobicContact CB-CG1 4.29Å; I168-V177 HydrophobicContact CD1-CG2 4.01Å; I168-V177 HydrophobicContact CG2-CB 4.46Å; I168-V177 HydrophobicContact CG2-CG1 3.94Å
169	L	97.4	Very high	96.9	Very high	60 Å²	60	69.5 Å²	69.5	31%	0.314	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-29.2	178.7	-68.7	171.6	0	0	0	113.1	V165 S166 E171 W172 H173 A175 V177	V165-L169 HydrophobicContact CG1-CD1 3.77Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.2Å; V165-L169 PolarHBondContact O-N 3.25Å; S166-L169 CarbonylContact O-C 3.22Å; S166-L169 PolarHBondContact O-N 3.5Å; S166-L169 VanDerWaalsContact O-N 3.09Å; L169-E171 VanDerWaalsContact C-N 3.32Å; L169-W172 CarbonylContact O-C 3.52Å; L169-W172 PolarHBondContact O-N 3.44Å; L169-H173 WeakPolarHBondContact O-CA 3.41Å; L169-H173 PolarHBondContact O-N 2.83Å; L169-A175 HydrophobicContact CD2-CB 4.25Å; L169-A175 WeakPolarHBondContact CD2-O 3.43Å; L169-V177 HydrophobicContact CD2-CG1 3.81Å; L169-V177 HydrophobicContact CG-CG1 3.88Å
170	E	96.9	Very high	97	Very high	156 Å²	156	66.7 Å²	66.7	73%	0.729	32%	0.317	S	S	*	.	H	α-helix	trans	-63.3	-38.9	171.7	-77.3	168.1	-168.4	0	0	111.6	S166 I168	S166-E170 WeakPolarHBondContact O-CG 3.37Å; S166-E170 PolarHBondContact O-N 3.38Å; I168-E170 VanDerWaalsContact C-N 3.33Å
171	E	94.8	Very high	97.2	Very high	104 Å²	104	65.6 Å²	65.6	49%	0.486	33%	0.326	S	S	.	.	H	α-helix	trans	-77.7	-36.4	176.3	-67.7	-175.3	-131.3	0	0	112.3	K142 L146 I168 L169	K142-E171 VanDerWaalsContact CE-CD 3.42Å; K142-E171 VanDerWaalsContact CE-OE1 3.23Å; K142-E171 WeakPolarHBondContact CE-OE1 3.21Å; K142-E171 WeakPolarHBondContact CE-OE2 3.36Å; K142-E171 IonicContact NZ-OE1 2.74Å; K142-E171 PolarHBondContact NZ-OE1 3.07Å; K142-E171 IonicContact NZ-OE2 2.9Å; K142-E171 PolarHBondContact NZ-OE2 2.86Å; L146-E171 HydrophobicContact CD2-CB 4.42Å; I168-E171 PolarHBondContact O-N 3.15Å; L169-E171 VanDerWaalsContact C-N 3.32Å
172	W	94.4	Very high	97.3	Very high	120 Å²	120	66 Å²	66	46%	0.455	33%	0.327	S	S	.	.			trans	-146.4	97.3	175.8	-174.1	-118.3	0	0	0	111.9	L146 I168 L169 K174 A175	L146-W172 HydrophobicContact CD2-CB 3.45Å; L146-W172 VanDerWaalsContact CD2-CB 3.45Å; L146-W172 HydrophobicContact CD2-CG 4.35Å; I168-W172 PolarHBondContact O-N 3.25Å; L169-W172 CarbonylContact O-C 3.52Å; L169-W172 PolarHBondContact O-N 3.44Å; W172-K174 HydrophobicContact CZ2-CB 4.2Å; W172-K174 HydrophobicContact CZ2-CD 4.25Å; W172-K174 PolarHBondContact O-N 2.75Å; W172-A175 HydrophobicContact CB-CB 4.4Å; W172-A175 HydrophobicContact CG-CB 4.48Å; W172-A175 WeakPolarHBondContact O-CB 3.47Å; W172-A175 PolarHBondContact O-N 2.77Å
173	H	94.7	Very high	97.3	Very high	137 Å²	137	65.3 Å²	65.3	63%	0.634	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.9	-175.7	67.3	-84.2	0	0	0	114.8	L169	L169-H173 WeakPolarHBondContact O-CA 3.41Å; L169-H173 PolarHBondContact O-N 2.83Å
174	K	93.1	Very high	97.3	Very high	142 Å²	142	60 Å²	60	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	1.7	176.3	-56.6	-176	-179.8	176.1	0	113.3	W172 K176	W172-K174 HydrophobicContact CZ2-CB 4.2Å; W172-K174 HydrophobicContact CZ2-CD 4.25Å; W172-K174 PolarHBondContact O-N 2.75Å; K174-K176 PolarHBondContact O-N 3.24Å
175	A	96.5	Very high	97.3	Very high	11 Å²	11	60.6 Å²	60.6	9%	0.091	30%	0.3	C	S	.	.			trans	-59.5	133.8	178	0	0	0	0	0	110.2	A145 I168 L169 W172 V177	A145-A175 HydrophobicContact CB-CB 4.38Å; I168-A175 HydrophobicContact CG2-CB 4.01Å; L169-A175 HydrophobicContact CD2-CB 4.25Å; L169-A175 WeakPolarHBondContact CD2-O 3.43Å; W172-A175 HydrophobicContact CB-CB 4.4Å; W172-A175 HydrophobicContact CG-CB 4.48Å; W172-A175 WeakPolarHBondContact O-CB 3.47Å; W172-A175 PolarHBondContact O-N 2.77Å; A175-V177 HydrophobicContact CB-CG1 4.05Å; A175-V177 PolarHBondContact O-N 2.96Å
176	K	98.1	Very high	97.3	Very high	133 Å²	133	61.5 Å²	61.5	58%	0.578	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	87.7	173.4	-69.2	-178.6	-178.7	177.7	0	108.3	H150 V151 K174	H150-K176 CarbonylContact C-O 3.43Å; H150-K176 VanDerWaalsContact CA-O 3.25Å; H150-K176 WeakPolarHBondContact CA-O 3.17Å; H150-K176 HydrophobicContact CB-CB 4.03Å; V151-K176 PolarHBondContact N-O 3.16Å; K174-K176 PolarHBondContact O-N 3.24Å
177	V	98.5	Very high	97.3	Very high	18 Å²	18	58.7 Å²	58.7	11%	0.109	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.7	-174.5	59.8	0	0	0	0	111	A145 V151 L153 V165 I168 L169 A175	A145-V177 HydrophobicContact CB-CB 4.46Å; V151-V177 HydrophobicContact CB-CG2 4.47Å; V151-V177 WeakPolarHBondContact O-CA 3.25Å; L153-V177 HydrophobicContact CD1-CG2 3.31Å; V165-V177 HydrophobicContact CG1-CG1 4.15Å; V165-V177 HydrophobicContact CG2-CG2 4.27Å; I168-V177 HydrophobicContact CB-CG1 4.29Å; I168-V177 HydrophobicContact CD1-CG2 4.01Å; I168-V177 HydrophobicContact CG2-CB 4.46Å; I168-V177 HydrophobicContact CG2-CG1 3.94Å; L169-V177 HydrophobicContact CD2-CG1 3.81Å; L169-V177 HydrophobicContact CG-CG1 3.88Å; A175-V177 HydrophobicContact CB-CG1 4.05Å; A175-V177 PolarHBondContact O-N 2.96Å
178	E	98.3	Very high	97.3	Very high	50 Å²	50	59 Å²	59	23%	0.234	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.4	178.2	64.9	178.4	140.5	0	0	112	H150 V151 I152 L153 K200	H150-E178 IonicContact CE1-OE1 2.61Å; H150-E178 PolarHBondContact CE1-OE1 3.18Å; H150-E178 IonicContact NE2-OE1 2.69Å; H150-E178 PolarHBondContact NE2-OE1 3.03Å; V151-E178 PolarHBondContact O-N 3.49Å; I152-E178 WeakPolarHBondContact CA-O 3.39Å; I152-E178 HydrophobicContact CG1-CG 4.01Å; L153-E178 PolarHBondContact N-O 3.39Å; E178-K200 WeakPolarHBondContact OE1-CE 3.48Å; E178-K200 IonicContact OE1-NZ 3.21Å; E178-K200 PolarHBondContact OE1-NZ 3.41Å; E178-K200 WeakPolarHBondContact OE2-CE 3.4Å; E178-K200 IonicContact OE2-NZ 3.93Å; E178-K200 PolarHBondContact OE2-NZ 3.49Å
179	A	98.5	Very high	97.4	Very high	21 Å²	21	60 Å²	60	17%	0.174	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.3	175.2	0	0	0	0	0	110.4	L153 M158 A161 V165	L153-A179 WeakPolarHBondContact O-CA 3.29Å; M158-A179 HydrophobicContact CE-CB 3.63Å; M158-A179 HydrophobicContact SD-CB 4.45Å; A161-A179 HydrophobicContact CB-CB 3.64Å; V165-A179 HydrophobicContact CG2-CB 3.89Å
180	M	98.7	Very high	97.4	Very high	16 Å²	16	57.1 Å²	57.1	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.4	174.4	-76.2	-179.6	63.9	0	0	110.4	I152 L153 A154 C155 M158 L182 F193 A196 F197 K200	I152-M180 HydrophobicContact CD1-SD 3.94Å; I152-M180 HydrophobicContact CG2-CB 3.86Å; I152-M180 HydrophobicContact CG2-CG 3.8Å; I152-M180 HydrophobicContact CG2-SD 3.51Å; I152-M180 VanDerWaalsContact CG2-SD 3.51Å; L153-M180 PolarHBondContact O-N 3.34Å; A154-M180 WeakPolarHBondContact CA-O 3.37Å; C155-M180 PolarHBondContact N-O 3.17Å; M158-M180 VanDerWaalsContact SD-C 3.55Å; M180-L182 PolarHBondContact O-N 3.03Å; M180-F193 HydrophobicContact CB-CD2 3.97Å; M180-F193 HydrophobicContact CB-CE2 3.58Å; M180-F193 HydrophobicContact CE-CD2 4.07Å; M180-F193 HydrophobicContact CE-CE2 3.96Å; M180-F193 HydrophobicContact SD-CE2 4.33Å; M180-A196 HydrophobicContact CE-CB 3.86Å; M180-F197 HydrophobicContact CE-CB 3.98Å; M180-K200 HydrophobicContact SD-CD 4.04Å; M180-K200 VanDerWaalsContact SD-CE 3.57Å
181	A	98.6	Very high	97.5	Very high	57 Å²	57	52.8 Å²	52.8	47%	0.471	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.5	-175.8	0	0	0	0	0	111.1	C155 M158 F193	C155-A181 WeakPolarHBondContact O-CA 3.36Å; M158-A181 HydrophobicContact CG-CB 3.94Å; M158-A181 VanDerWaalsContact SD-CA 3.55Å; M158-A181 HydrophobicContact SD-CB 3.84Å; M158-A181 PolarHBondContact SD-N 2.91Å; M158-A181 VanDerWaalsContact SD-N 3.39Å; A181-F193 WeakPolarHBondContact O-CD2 3.49Å
182	L	98.7	Very high	97.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	26%	0.26	C	S	.	.			trans	-145.2	112.9	175.5	175.4	64.4	0	0	0	110.1	T130 A154 C155 R156 M180 L184 V190 F193 L239	T130-L182 HydrophobicContact CG2-CD2 3.68Å; A154-L182 HydrophobicContact CB-CB 4.03Å; A154-L182 HydrophobicContact CB-CD2 3.64Å; C155-L182 CarbonylContact C-O 3.43Å; C155-L182 VanDerWaalsContact C-O 3.24Å; C155-L182 PolarHBondContact O-N 3.21Å; R156-L182 VanDerWaalsContact CA-O 3.25Å; R156-L182 WeakPolarHBondContact CA-O 3.49Å; R156-L182 PolarHBondContact N-O 2.82Å; M180-L182 PolarHBondContact O-N 3.03Å; L182-L184 HydrophobicContact CD1-CD2 4.29Å; L182-L184 HydrophobicContact CD2-CD2 4.16Å; L182-L184 HydrophobicContact CD2-CG 4.33Å; L182-L184 HydrophobicContact CG-CD2 4.32Å; L182-L184 HydrophobicContact CG-CG 4.28Å; L182-V190 HydrophobicContact CD1-CB 4.32Å; L182-V190 HydrophobicContact CD1-CG1 4.45Å; L182-V190 HydrophobicContact CD1-CG2 4.07Å; L182-F193 HydrophobicContact CB-CB 4.38Å; L182-F193 HydrophobicContact CB-CD2 3.79Å; L182-F193 HydrophobicContact CB-CE2 4.33Å; L182-F193 HydrophobicContact CB-CG 4.11Å; L182-F193 HydrophobicContact CD1-CB 3.78Å; L182-F193 HydrophobicContact CD1-CD1 4.31Å; L182-F193 HydrophobicContact CD1-CD2 4.49Å; L182-F193 HydrophobicContact CD1-CG 3.94Å; L182-F193 HydrophobicContact CG-CG 4.42Å; L182-L239 HydrophobicContact CD2-CD2 3.98Å
183	D	98.4	Very high	97.9	Very high	45 Å²	45	48 Å²	48	24%	0.241	24%	0.239	C	C	.	.			trans	-106	105.9	167.2	-164.9	-9.6	0	0	0	110.8	R156 A185 L186 S189	R156-D183 HydrophobicContact CB-CB 4.49Å; R156-D183 WeakPolarHBondContact CD-OD1 3.27Å; R156-D183 VanDerWaalsContact CD-OD2 3.25Å; R156-D183 WeakPolarHBondContact CD-OD2 3.35Å; R156-D183 HydrophobicContact CG-CB 3.97Å; D183-A185 PolarHBondContact O-N 3.01Å; D183-A185 WeakPolarHBondContact OD1-CB 3.05Å; D183-A185 PolarHBondContact OD1-N 3.11Å; D183-L186 PolarHBondContact O-N 2.97Å; D183-L186 VanDerWaalsContact O-N 3.15Å; D183-L186 VanDerWaalsContact O-O 3.12Å; D183-S189 PolarHBondContact N-OG 2.98Å; D183-S189 WeakPolarHBondContact O-CB 3.49Å
184	L	98.5	Very high	98.1	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.2	178.1	-66.9	165	0	0	0	112.9	L182 L186 V190 A211 Q230 V231 G235 H236	L182-L184 HydrophobicContact CD1-CD2 4.29Å; L182-L184 HydrophobicContact CD2-CD2 4.16Å; L182-L184 HydrophobicContact CD2-CG 4.33Å; L182-L184 HydrophobicContact CG-CD2 4.32Å; L182-L184 HydrophobicContact CG-CG 4.28Å; L184-L186 PolarHBondContact O-N 3.36Å; L184-V190 HydrophobicContact CD2-CG2 4.25Å; L184-A211 HydrophobicContact CD1-CB 3.51Å; L184-Q230 PolarHBondContact O-NE2 3.42Å; L184-V231 HydrophobicContact CB-CG1 4.29Å; L184-G235 VanDerWaalsContact CD2-C 3.48Å; L184-H236 WeakPolarHBondContact CD1-NE2 3.48Å
185	A	97.6	Very high	98.4	Very high	14 Å²	14	38.9 Å²	38.9	12%	0.116	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	7.6	173.4	0	0	0	0	0	113.2	D183 T221 Q230 V231	D183-A185 PolarHBondContact O-N 3.01Å; D183-A185 WeakPolarHBondContact OD1-CB 3.05Å; D183-A185 PolarHBondContact OD1-N 3.11Å; A185-T221 HydrophobicContact CB-CG2 4Å; A185-T221 WeakPolarHBondContact O-CB 3.45Å; A185-Q230 PolarHBondContact O-NE2 3.36Å; A185-V231 HydrophobicContact CB-CG2 3.73Å
186	L	98.3	Very high	98.5	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.199	21%	0.214	C	C	.	.			trans	-143.3	109	176.9	178.1	61.4	0	0	0	110.8	D183 L184 R188 S189 V190 K222 D223	D183-L186 PolarHBondContact O-N 2.97Å; D183-L186 VanDerWaalsContact O-N 3.15Å; D183-L186 VanDerWaalsContact O-O 3.12Å; L184-L186 PolarHBondContact O-N 3.36Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 HydrophobicContact CG-CB 4.4Å; L186-R188 PolarHBondContact O-N 3.39Å; L186-S189 WeakPolarHBondContact O-CA 3.3Å; L186-S189 VanDerWaalsContact O-CB 3.26Å; L186-S189 WeakPolarHBondContact O-CB 3.39Å; L186-S189 PolarHBondContact O-N 2.92Å; L186-V190 PolarHBondContact O-N 3.01Å; L186-K222 HydrophobicContact CD1-CB 3.93Å; L186-K222 HydrophobicContact CD1-CD 4.22Å; L186-K222 HydrophobicContact CD2-CD 4.47Å; L186-D223 VanDerWaalsContact CA-OD2 3.25Å; L186-D223 WeakPolarHBondContact CA-OD2 3.4Å
187	L	98.5	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-37.6	-175.9	-67.4	177.1	0	0	0	112.9	S189 V190 Q191 D223 Y238 I405 R408 L409	L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 2.98Å; L187-V190 WeakPolarHBondContact O-CB 3.48Å; L187-V190 PolarHBondContact O-N 2.87Å; L187-V190 VanDerWaalsContact O-N 3.11Å; L187-Q191 PolarHBondContact O-N 3.43Å; L187-D223 HydrophobicContact CD1-CB 4.44Å; L187-D223 PolarHBondContact N-OD2 3.23Å; L187-Y238 HydrophobicContact CB-CD1 4.27Å; L187-Y238 HydrophobicContact CB-CE1 4.29Å; L187-Y238 HydrophobicContact CD2-CD1 3.77Å; L187-Y238 HydrophobicContact CD2-CG 4.3Å; L187-Y238 WeakPolarHBondContact O-CE1 3.19Å; L187-I405 HydrophobicContact CD1-CG1 4.43Å; L187-I405 HydrophobicContact CD2-CG1 4.39Å; L187-R408 HydrophobicContact CD1-CB 3.84Å; L187-L409 HydrophobicContact CB-CD2 3.87Å; L187-L409 HydrophobicContact CB-CG 4.44Å; L187-L409 HydrophobicContact CD1-CG 4.39Å
188	R	97.9	Very high	98.5	Very high	101 Å²	101	38.5 Å²	38.5	38%	0.381	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-34.4	173.3	-67.9	-169.5	-175.6	-148.6	0.6	112.9	L186 V190 Q191 H192 L409 Q412	L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 HydrophobicContact CG-CB 4.4Å; L186-R188 PolarHBondContact O-N 3.39Å; R188-V190 VanDerWaalsContact C-N 3.33Å; R188-Q191 PolarHBondContact O-N 2.99Å; R188-H192 VanDerWaalsContact O-CG 3.3Å; R188-H192 PolarHBondContact O-N 3.41Å; R188-H192 PolarHBondContact O-ND1 2.99Å; R188-L409 HydrophobicContact CG-CD2 4.28Å; R188-Q412 PolarHBondContact NH2-O 2.61Å
189	S	98.6	Very high	98.5	Very high	21 Å²	21	40.2 Å²	40.2	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-37.2	174.4	-177.1	0	0	0	0	111.6	D183 L186 L187 Q191 F193	D183-S189 PolarHBondContact N-OG 2.98Å; D183-S189 WeakPolarHBondContact O-CB 3.49Å; L186-S189 WeakPolarHBondContact O-CA 3.3Å; L186-S189 VanDerWaalsContact O-CB 3.26Å; L186-S189 WeakPolarHBondContact O-CB 3.39Å; L186-S189 PolarHBondContact O-N 2.92Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 2.98Å; S189-Q191 VanDerWaalsContact C-N 3.33Å; S189-F193 WeakPolarHBondContact O-CB 3.44Å; S189-F193 PolarHBondContact O-N 3.41Å
190	V	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-41.5	175.6	-175.6	0	0	0	0	110.4	L182 L184 L186 L187 R188 F193 A194 Y238 L239 L242	L182-V190 HydrophobicContact CD1-CB 4.32Å; L182-V190 HydrophobicContact CD1-CG1 4.45Å; L182-V190 HydrophobicContact CD1-CG2 4.07Å; L184-V190 HydrophobicContact CD2-CG2 4.25Å; L186-V190 PolarHBondContact O-N 3.01Å; L187-V190 WeakPolarHBondContact O-CB 3.48Å; L187-V190 PolarHBondContact O-N 2.87Å; L187-V190 VanDerWaalsContact O-N 3.11Å; R188-V190 VanDerWaalsContact C-N 3.33Å; V190-F193 PolarHBondContact O-N 3.08Å; V190-A194 PolarHBondContact O-N 3.23Å; V190-Y238 HydrophobicContact CB-CD1 3.85Å; V190-Y238 HydrophobicContact CB-CE1 4.36Å; V190-Y238 HydrophobicContact CG1-CD1 3.81Å; V190-Y238 HydrophobicContact CG1-CG 4.32Å; V190-L239 HydrophobicContact CG1-CB 3.74Å; V190-L239 HydrophobicContact CG1-CD1 4.13Å; V190-L242 HydrophobicContact CG1-CD1 4.3Å
191	Q	98.6	Very high	98.3	Very high	65 Å²	65	49.4 Å²	49.4	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-51.6	174.7	-176.5	174.9	-7.4	0	0	112.4	L187 R188 S189 F193 A194 E195 Y238 L242	L187-Q191 PolarHBondContact O-N 3.43Å; R188-Q191 PolarHBondContact O-N 2.99Å; S189-Q191 VanDerWaalsContact C-N 3.33Å; Q191-F193 VanDerWaalsContact C-N 3.3Å; Q191-F193 PolarHBondContact O-N 3.48Å; Q191-A194 PolarHBondContact O-N 2.91Å; Q191-A194 VanDerWaalsContact O-N 3.14Å; Q191-E195 VanDerWaalsContact CG-OE1 3.26Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.39Å; Q191-E195 PolarHBondContact NE2-OE1 2.9Å; Q191-E195 WeakPolarHBondContact O-CG 3.42Å; Q191-E195 PolarHBondContact O-N 3.44Å; Q191-Y238 HydrophobicContact CB-CE1 4.27Å; Q191-L242 HydrophobicContact CB-CD1 4.31Å
192	H	98.6	Very high	98.3	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.556	26%	0.26	S	S	*	.	H	α-helix	trans	-59.9	-39.5	178	-66.7	153.2	0	0	0	112.5	R188 E195 A196	R188-H192 VanDerWaalsContact O-CG 3.3Å; R188-H192 PolarHBondContact O-N 3.41Å; R188-H192 PolarHBondContact O-ND1 2.99Å; H192-E195 IonicContact CD2-OE2 3.91Å; H192-E195 PolarHBondContact O-N 2.97Å; H192-A196 VanDerWaalsContact O-CB 3.27Å; H192-A196 WeakPolarHBondContact O-CB 3.43Å; H192-A196 PolarHBondContact O-N 2.83Å
193	F	98.9	Very high	98.2	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.013	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-48.3	174.6	173.5	-89.2	0	0	0	111.3	V128 I152 A154 M180 A181 L182 S189 V190 Q191 E195 A196 F197 L239 L243	V128-F193 HydrophobicContact CG1-CE1 4.28Å; V128-F193 HydrophobicContact CG1-CZ 3.82Å; I152-F193 HydrophobicContact CG2-CE2 4.35Å; I152-F193 HydrophobicContact CG2-CZ 4.37Å; A154-F193 HydrophobicContact CB-CD2 4.27Å; A154-F193 HydrophobicContact CB-CE2 3.39Å; A154-F193 HydrophobicContact CB-CZ 3.55Å; M180-F193 HydrophobicContact CB-CD2 3.97Å; M180-F193 HydrophobicContact CB-CE2 3.58Å; M180-F193 HydrophobicContact CE-CD2 4.07Å; M180-F193 HydrophobicContact CE-CE2 3.96Å; M180-F193 HydrophobicContact SD-CE2 4.33Å; A181-F193 WeakPolarHBondContact O-CD2 3.49Å; L182-F193 HydrophobicContact CB-CB 4.38Å; L182-F193 HydrophobicContact CB-CD2 3.79Å; L182-F193 HydrophobicContact CB-CE2 4.33Å; L182-F193 HydrophobicContact CB-CG 4.11Å; L182-F193 HydrophobicContact CD1-CB 3.78Å; L182-F193 HydrophobicContact CD1-CD1 4.31Å; L182-F193 HydrophobicContact CD1-CD2 4.49Å; L182-F193 HydrophobicContact CD1-CG 3.94Å; L182-F193 HydrophobicContact CG-CG 4.42Å; S189-F193 WeakPolarHBondContact O-CB 3.44Å; S189-F193 PolarHBondContact O-N 3.41Å; V190-F193 PolarHBondContact O-N 3.08Å; Q191-F193 VanDerWaalsContact C-N 3.3Å; Q191-F193 PolarHBondContact O-N 3.48Å; F193-E195 PolarHBondContact O-N 3.28Å; F193-A196 PolarHBondContact O-N 3.01Å; F193-F197 HydrophobicContact CE1-CB 4.49Å; F193-F197 WeakPolarHBondContact O-CB 3.46Å; F193-F197 PolarHBondContact O-N 2.85Å; F193-L239 HydrophobicContact CD1-CD1 3.48Å; F193-L239 VanDerWaalsContact CD1-CD1 3.48Å; F193-L239 HydrophobicContact CE1-CD1 3.72Å; F193-L243 HydrophobicContact CE1-CD1 4.27Å
194	A	98.8	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-39.2	-178.5	0	0	0	0	0	112	V190 Q191 F197 K198 L242 L243	V190-A194 PolarHBondContact O-N 3.23Å; Q191-A194 PolarHBondContact O-N 2.91Å; Q191-A194 VanDerWaalsContact O-N 3.14Å; A194-F197 PolarHBondContact O-N 2.94Å; A194-K198 WeakPolarHBondContact O-CB 3.39Å; A194-K198 WeakPolarHBondContact O-CE 3.49Å; A194-K198 VanDerWaalsContact O-CG 3.24Å; A194-K198 WeakPolarHBondContact O-CG 3.49Å; A194-K198 PolarHBondContact O-N 3.38Å; A194-L242 HydrophobicContact CB-CB 3.59Å; A194-L242 HydrophobicContact CB-CD1 3.76Å; A194-L242 HydrophobicContact CB-CG 4.32Å; A194-L243 HydrophobicContact CB-CD2 3.98Å; A194-L243 HydrophobicContact CB-CG 4.39Å
195	E	98.7	Very high	98.3	Very high	87 Å²	87	49.9 Å²	49.9	41%	0.407	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-48.3	174	-72.7	167.9	-175.8	0	0	111.6	Q191 H192 F193 F197 K198 A199	Q191-E195 VanDerWaalsContact CG-OE1 3.26Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.39Å; Q191-E195 PolarHBondContact NE2-OE1 2.9Å; Q191-E195 WeakPolarHBondContact O-CG 3.42Å; Q191-E195 PolarHBondContact O-N 3.44Å; H192-E195 IonicContact CD2-OE2 3.91Å; H192-E195 PolarHBondContact O-N 2.97Å; F193-E195 PolarHBondContact O-N 3.28Å; E195-F197 VanDerWaalsContact C-N 3.31Å; E195-F197 PolarHBondContact O-N 3.34Å; E195-K198 PolarHBondContact O-N 3.32Å; E195-A199 WeakPolarHBondContact O-CB 3.44Å; E195-A199 PolarHBondContact O-N 3.44Å
196	A	98.6	Very high	98.3	Very high	49 Å²	49	49.6 Å²	49.6	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-38.5	176.8	0	0	0	0	0	112.3	M180 H192 F193 K200	M180-A196 HydrophobicContact CE-CB 3.86Å; H192-A196 VanDerWaalsContact O-CB 3.27Å; H192-A196 WeakPolarHBondContact O-CB 3.43Å; H192-A196 PolarHBondContact O-N 2.83Å; F193-A196 PolarHBondContact O-N 3.01Å; A196-K200 PolarHBondContact O-N 3.39Å
197	F	98.8	Very high	98.4	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-47	175.5	176.4	-97.5	0	0	0	111.2	V126 V128 I152 M180 F193 A194 E195 A199 K200 V202 L204 L243	V126-F197 HydrophobicContact CG1-CE2 4.31Å; V126-F197 HydrophobicContact CG1-CZ 4.44Å; V128-F197 HydrophobicContact CG2-CD2 4.2Å; V128-F197 HydrophobicContact CG2-CE2 3.83Å; V128-F197 HydrophobicContact CG2-CZ 4.3Å; I152-F197 HydrophobicContact CD1-CD2 3.4Å; I152-F197 HydrophobicContact CD1-CE2 3.36Å; M180-F197 HydrophobicContact CE-CB 3.98Å; F193-F197 HydrophobicContact CE1-CB 4.49Å; F193-F197 WeakPolarHBondContact O-CB 3.46Å; F193-F197 PolarHBondContact O-N 2.85Å; A194-F197 PolarHBondContact O-N 2.94Å; E195-F197 VanDerWaalsContact C-N 3.31Å; E195-F197 PolarHBondContact O-N 3.34Å; F197-A199 VanDerWaalsContact C-N 3.27Å; F197-A199 PolarHBondContact O-N 2.91Å; F197-K200 WeakPolarHBondContact O-CB 3.16Å; F197-K200 PolarHBondContact O-N 3.05Å; F197-K200 VanDerWaalsContact O-N 3.08Å; F197-V202 HydrophobicContact CE2-CG2 3.81Å; F197-V202 HydrophobicContact CZ-CG2 3.97Å; F197-L204 HydrophobicContact CE1-CB 3.91Å; F197-L204 HydrophobicContact CE1-CD2 3.97Å; F197-L204 HydrophobicContact CE1-CG 4.35Å; F197-L204 HydrophobicContact CZ-CB 3.81Å; F197-L204 HydrophobicContact CZ-CD1 3.99Å; F197-L204 HydrophobicContact CZ-CD2 4.28Å; F197-L204 HydrophobicContact CZ-CG 4.24Å; F197-L243 HydrophobicContact CD1-CD2 3.59Å; F197-L243 HydrophobicContact CE1-CD2 4.26Å; F197-L243 HydrophobicContact CG-CD2 4.39Å
198	K	98.5	Very high	98.4	Very high	100 Å²	100	47.8 Å²	47.8	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-38.5	177	-75.9	178.8	-65.6	-174.5	0	112	A194 E195 K200 N201	A194-K198 WeakPolarHBondContact O-CB 3.39Å; A194-K198 WeakPolarHBondContact O-CE 3.49Å; A194-K198 VanDerWaalsContact O-CG 3.24Å; A194-K198 WeakPolarHBondContact O-CG 3.49Å; A194-K198 PolarHBondContact O-N 3.38Å; E195-K198 PolarHBondContact O-N 3.32Å; K198-K200 PolarHBondContact O-N 3.12Å; K198-N201 PolarHBondContact O-N 3.23Å
199	A	98.3	Very high	98.4	Very high	86 Å²	86	43 Å²	43	71%	0.711	24%	0.237	S	C	*	.	H	α-helix	trans	-63.2	-22.1	177.9	0	0	0	0	0	113.6	E195 F197 N201	E195-A199 WeakPolarHBondContact O-CB 3.44Å; E195-A199 PolarHBondContact O-N 3.44Å; F197-A199 VanDerWaalsContact C-N 3.27Å; F197-A199 PolarHBondContact O-N 2.91Å; A199-N201 PolarHBondContact O-N 2.95Å
200	K	97	Very high	98.4	Very high	80 Å²	80	43 Å²	43	35%	0.348	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17	173.9	-69.6	174.3	165	-76.7	0	113.4	E178 M180 A196 F197 K198 V202	E178-K200 WeakPolarHBondContact OE1-CE 3.48Å; E178-K200 IonicContact OE1-NZ 3.21Å; E178-K200 PolarHBondContact OE1-NZ 3.41Å; E178-K200 WeakPolarHBondContact OE2-CE 3.4Å; E178-K200 IonicContact OE2-NZ 3.93Å; E178-K200 PolarHBondContact OE2-NZ 3.49Å; M180-K200 HydrophobicContact SD-CD 4.04Å; M180-K200 VanDerWaalsContact SD-CE 3.57Å; A196-K200 PolarHBondContact O-N 3.39Å; F197-K200 WeakPolarHBondContact O-CB 3.16Å; F197-K200 PolarHBondContact O-N 3.05Å; F197-K200 VanDerWaalsContact O-N 3.08Å; K198-K200 PolarHBondContact O-N 3.12Å; K200-V202 HydrophobicContact CB-CG1 4.38Å; K200-V202 HydrophobicContact CB-CG2 4.13Å; K200-V202 PolarHBondContact O-N 2.93Å
201	N	96.3	Very high	98.1	Very high	151 Å²	151	43.7 Å²	43.7	81%	0.807	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	39.6	-179.9	-163.2	40.8	0	0	0	113.6	K198 A199	K198-N201 PolarHBondContact O-N 3.23Å; A199-N201 PolarHBondContact O-N 2.95Å
202	V	97.4	Very high	97.7	Very high	46 Å²	46	42.2 Å²	42.2	28%	0.279	24%	0.24	S	C	.	.			trans	-104.7	151.5	173.8	-63.5	0	0	0	0	110	V126 F197 K200	V126-V202 HydrophobicContact CG1-CG2 4.26Å; V126-V202 HydrophobicContact CG2-CB 4.3Å; F197-V202 HydrophobicContact CE2-CG2 3.81Å; F197-V202 HydrophobicContact CZ-CG2 3.97Å; K200-V202 HydrophobicContact CB-CG1 4.38Å; K200-V202 HydrophobicContact CB-CG2 4.13Å; K200-V202 PolarHBondContact O-N 2.93Å
203	P	98.2	Very high	97.1	Very high	55 Å²	55	37.1 Å²	37.1	36%	0.357	22%	0.218	S	C	.	.			trans	-64.5	165.3	172.8	27.6	-34.2	0	0	0	111.1	V126 H205 S250	V126-P203 WeakPolarHBondContact CB-O 3.43Å; V126-P203 WeakPolarHBondContact CG1-O 3.37Å; V126-P203 HydrophobicContact CG2-CG 3.89Å; V126-P203 VanDerWaalsContact CG2-O 3.3Å; V126-P203 WeakPolarHBondContact CG2-O 3.22Å; P203-H205 VanDerWaalsContact CG-CE1 3.44Å; P203-H205 WeakPolarHBondContact CG-CE1 3.33Å; P203-S250 WeakPolarHBondContact CA-OG 3.47Å; P203-S250 WeakPolarHBondContact CB-OG 3.39Å
204	L	98.8	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.			trans	-129.4	99.7	173.2	-179.4	54.8	0	0	0	109.4	V128 F197 V206 L243 L247 S250	V128-L204 HydrophobicContact CB-CD1 4.06Å; V128-L204 HydrophobicContact CG2-CD1 3.55Å; F197-L204 HydrophobicContact CE1-CB 3.91Å; F197-L204 HydrophobicContact CE1-CD2 3.97Å; F197-L204 HydrophobicContact CE1-CG 4.35Å; F197-L204 HydrophobicContact CZ-CB 3.81Å; F197-L204 HydrophobicContact CZ-CD1 3.99Å; F197-L204 HydrophobicContact CZ-CD2 4.28Å; F197-L204 HydrophobicContact CZ-CG 4.24Å; L204-V206 WeakPolarHBondContact CD1-O 3.14Å; L204-L243 HydrophobicContact CD2-CB 3.95Å; L204-L243 HydrophobicContact CD2-CD1 3.93Å; L204-L243 HydrophobicContact CD2-CG 4.4Å; L204-L247 HydrophobicContact CB-CD2 4.5Å; L204-L247 HydrophobicContact CD2-CD2 3.94Å; L204-L247 HydrophobicContact CD2-CG 3.88Å; L204-L247 HydrophobicContact CG-CD2 3.74Å; L204-L247 HydrophobicContact CG-CG 4.15Å; L204-S250 PolarHBondContact N-OG 3.44Å; L204-S250 WeakPolarHBondContact O-CB 3.26Å
205	H	98.8	Very high	95.1	Very high	27 Å²	27	39.4 Å²	39.4	13%	0.125	23%	0.232	C	C	.	.			trans	-92.8	-34.6	-174.6	-62.7	95.2	0	0	0	112.3	G124 K125 V126 P203 A253 R254	G124-H205 PolarHBondContact O-CE1 3.03Å; K125-H205 HydrophobicContact CB-CB 4.46Å; K125-H205 HydrophobicContact CD-CB 4.15Å; K125-H205 PolarHBondContact NZ-NE2 3.11Å; V126-H205 PolarHBondContact N-ND1 3.42Å; V126-H205 VanDerWaalsContact N-ND1 3.18Å; V126-H205 PolarHBondContact O-N 3.3Å; P203-H205 VanDerWaalsContact CG-CE1 3.44Å; P203-H205 WeakPolarHBondContact CG-CE1 3.33Å; H205-A253 CarbonylContact O-C 3.56Å; H205-A253 WeakPolarHBondContact O-CA 3.36Å; H205-A253 WeakPolarHBondContact O-CB 3.36Å; H205-R254 PolarHBondContact O-N 2.83Å
206	V	98.9	Very high	94.1	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.3	178.6	-178.2	0	0	0	0	110.1	V126 V127 V128 L204 V208 R254 A363	V126-V206 PolarHBondContact O-N 2.95Å; V126-V206 VanDerWaalsContact O-N 3.15Å; V127-V206 WeakPolarHBondContact CA-O 3.2Å; V127-V206 HydrophobicContact CB-CB 4.37Å; V127-V206 HydrophobicContact CG1-CB 4.01Å; V127-V206 HydrophobicContact CG1-CG1 4.09Å; V127-V206 HydrophobicContact CG2-CB 4.04Å; V127-V206 HydrophobicContact CG2-CG2 4.35Å; V128-V206 PolarHBondContact N-O 2.81Å; L204-V206 WeakPolarHBondContact CD1-O 3.14Å; V206-V208 HydrophobicContact CG1-CG2 3.86Å; V206-R254 VanDerWaalsContact CA-O 3.31Å; V206-R254 WeakPolarHBondContact CA-O 3.42Å; V206-A363 HydrophobicContact CG1-CB 3.79Å
207	L	98.9	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.4	170	175.1	59.2	0	0	0	109.6	V128 L239 V240 L243 L247 R254 V255 I256	V128-L207 HydrophobicContact CB-CD1 3.83Å; V128-L207 HydrophobicContact CG1-CD1 3.72Å; L207-L239 HydrophobicContact CD1-CD2 4.28Å; L207-V240 HydrophobicContact CD2-CG2 3.69Å; L207-L243 HydrophobicContact CD2-CD1 4.32Å; L207-L247 HydrophobicContact CB-CD2 4.26Å; L207-L247 HydrophobicContact CD2-CD1 4.32Å; L207-R254 PolarHBondContact N-O 2.81Å; L207-V255 HydrophobicContact CB-CG2 4.43Å; L207-V255 CarbonylContact O-C 3.51Å; L207-V255 WeakPolarHBondContact O-CA 3.35Å; L207-I256 PolarHBondContact O-N 3.29Å
208	V	98.9	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.7	178.1	-174.5	0	0	0	0	109.7	V128 V129 T130 T140 V206 N210 I256 V258 T359	V128-V208 PolarHBondContact O-N 2.69Å; V129-V208 HydrophobicContact CB-CB 4.41Å; V129-V208 HydrophobicContact CG1-CB 4.12Å; V129-V208 HydrophobicContact CG1-CG1 4.27Å; V129-V208 HydrophobicContact CG2-CB 4.22Å; V129-V208 HydrophobicContact CG2-CG2 4.23Å; T130-V208 PolarHBondContact N-O 2.83Å; T130-V208 PolarHBondContact OG1-O 2.96Å; T140-V208 HydrophobicContact CG2-CG2 4.33Å; V206-V208 HydrophobicContact CG1-CG2 3.86Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 HydrophobicContact CG1-CB 3.84Å; V208-N210 PolarHBondContact O-N 3.48Å; V208-N210 VanDerWaalsContact O-N 3.11Å; V208-I256 WeakPolarHBondContact CA-O 3.37Å; V208-I256 HydrophobicContact CG2-CB 4.5Å; V208-V258 HydrophobicContact CG1-CG2 4.48Å; V208-T359 HydrophobicContact CG1-CG2 3.51Å; V208-T359 HydrophobicContact CG2-CG2 4.38Å
209	C	98.8	Very high	93.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	76.8	172.2	-62.5	0	0	0	0	109.6	H236 I256 V257 V258	C209-H236 HydrophobicContact CB-CB 4.23Å; C209-I256 PolarHBondContact N-O 2.93Å; C209-V257 HydrophobicContact CB-CG1 4.34Å; C209-V258 WeakPolarHBondContact O-CB 3.39Å; C209-V258 PolarHBondContact O-N 3.18Å
210	N	97.8	Very high	93.4	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.102	23%	0.234	C	C	.	.			trans	-97.3	-32.8	-174.9	159.5	89.1	0	0	0	114.1	V129 T130 G131 G137 V208 A212 V258	V129-N210 HydrophobicContact CG1-CB 4.34Å; T130-N210 WeakPolarHBondContact O-CB 3.25Å; T130-N210 PolarHBondContact O-ND2 2.82Å; T130-N210 PolarHBondContact OG1-N 3.34Å; G131-N210 PolarHBondContact O-ND2 3.39Å; G137-N210 VanDerWaalsContact CA-ND2 3.3Å; G137-N210 WeakPolarHBondContact CA-ND2 3.23Å; G137-N210 PolarHBondContact N-OD1 3.35Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 HydrophobicContact CG1-CB 3.84Å; V208-N210 PolarHBondContact O-N 3.48Å; V208-N210 VanDerWaalsContact O-N 3.11Å; N210-A212 PolarHBondContact O-N 3.49Å; N210-V258 HydrophobicContact CB-CG2 3.94Å
211	A	92.3	Very high	93.5	Very high	15 Å²	15	38.4 Å²	38.4	12%	0.124	22%	0.222	C	C	.	.			trans	-56.1	139.9	-173.5	0	0	0	0	0	112.4	T130 L184 H236	T130-A211 PolarHBondContact O-N 2.93Å; T130-A211 PolarHBondContact OG1-N 3.4Å; L184-A211 HydrophobicContact CD1-CB 3.51Å; A211-H236 PolarHBondContact O-CE1 3.3Å
212	A	89.9	Confident	93.5	Very high	35 Å²	35	39 Å²	39	29%	0.289	22%	0.218	S	C	.	.			trans	-149.1	145.3	175.9	0	0	0	0	0	112.2	N210 N232	N210-A212 PolarHBondContact O-N 3.49Å; A212-N232 WeakPolarHBondContact CA-OD1 3.42Å
213	A	85.8	Confident	93.5	Very high	12 Å²	12	37.2 Å²	37.2	10%	0.099	21%	0.206	C	C	.	.			trans	-96.3	140.9	160.3	0	0	0	0	0	109.3	L216 V231 N232 Y293	A213-L216 HydrophobicContact CB-CD1 3.75Å; A213-V231 HydrophobicContact CB-CB 4.04Å; A213-V231 HydrophobicContact CB-CG1 3.96Å; A213-V231 HydrophobicContact CB-CG2 4.45Å; A213-N232 PolarHBondContact N-OD1 2.84Å; A213-N232 PolarHBondContact O-ND2 2.98Å; A213-N232 PolarHBondContact O-OD1 3.34Å; A213-Y293 WeakPolarHBondContact O-CD2 3.48Å
214	F	81.6	Confident	93.4	Very high	30 Å²	30	36 Å²	36	13%	0.132	20%	0.204	C	C	.	.			trans	-155.9	149.9	178.6	171.8	-125.5	0	0	0	110.1	L216 M290 Y293 I331 H332	F214-L216 PolarHBondContact O-N 2.92Å; F214-L216 VanDerWaalsContact O-N 3.13Å; F214-M290 HydrophobicContact CE2-CE 4.11Å; F214-M290 HydrophobicContact CE2-SD 3.44Å; F214-M290 WeakPolarHBondContact CE2-SD 3.34Å; F214-M290 HydrophobicContact CZ-CE 4.2Å; F214-M290 HydrophobicContact CZ-SD 3.54Å; F214-M290 VanDerWaalsContact CZ-SD 3.54Å; F214-Y293 HydrophobicContact CB-CD2 3.75Å; F214-Y293 HydrophobicContact CB-CE2 3.73Å; F214-Y293 HydrophobicContact CB-CG 4.44Å; F214-Y293 AromaticContact CD2-CD1 3.6Å; F214-Y293 HydrophobicContact CD2-CD1 3.6Å; F214-Y293 AromaticContact CD2-CD2 3.48Å; F214-Y293 HydrophobicContact CD2-CD2 3.48Å; F214-Y293 VanDerWaalsContact CD2-CD2 3.48Å; F214-Y293 HydrophobicContact CD2-CE1 4.04Å; F214-Y293 AromaticContact CD2-CE2 3.93Å; F214-Y293 HydrophobicContact CD2-CE2 3.93Å; F214-Y293 AromaticContact CD2-CG 3.28Å; F214-Y293 HydrophobicContact CD2-CG 3.28Å; F214-Y293 AromaticContact CE2-CD1 3.7Å; F214-Y293 HydrophobicContact CE2-CD1 3.7Å; F214-Y293 HydrophobicContact CE2-CD2 4.4Å; F214-Y293 HydrophobicContact CE2-CE1 4.2Å; F214-Y293 AromaticContact CE2-CG 3.8Å; F214-Y293 HydrophobicContact CE2-CG 3.8Å; F214-Y293 AromaticContact CG-CD2 3.97Å; F214-Y293 HydrophobicContact CG-CD2 3.97Å; F214-Y293 HydrophobicContact CG-CE2 4.04Å; F214-Y293 HydrophobicContact CG-CG 4.2Å; F214-I331 HydrophobicContact CB-CG2 3.61Å; F214-I331 HydrophobicContact CD1-CG2 3.81Å; F214-I331 HydrophobicContact CG-CG2 4.2Å; F214-H332 AromaticContact CD1-CE1 3.99Å; F214-H332 AromaticContact CE1-CE1 3.28Å; F214-H332 WeakPolarHBondContact CE1-CE1 3.46Å; F214-H332 AromaticContact CE1-NE2 3.75Å
215	A	75.1	Confident	93.3	Very high	22 Å²	22	36 Å²	36	18%	0.182	20%	0.204	C	C	.	.	S	Bend	trans	53.5	31.8	176.5	0	0	0	0	0	114.2	S334	A215-S334 PolarHBondContact O-OG 3.1Å; A215-S334 VanDerWaalsContact O-OG 3.08Å
216	L	77.8	Confident	93.3	Very high	63 Å²	63	34.8 Å²	34.8	33%	0.33	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-85.2	146.9	175.3	-61.6	-177.6	0	0	0	110.6	A213 F214 T227 Y287	A213-L216 HydrophobicContact CB-CD1 3.75Å; F214-L216 PolarHBondContact O-N 2.92Å; F214-L216 VanDerWaalsContact O-N 3.13Å; L216-T227 HydrophobicContact CD1-CG2 3.9Å; L216-Y287 WeakPolarHBondContact O-CE1 2.96Å; L216-Y287 PolarHBondContact O-OH 3.29Å
217	P	89	Confident	93.3	Very high	96 Å²	96	35.2 Å²	35.2	62%	0.623	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-56.2	152	161.9	-21	32.9	0	0	0	110.7	S219	P217-S219 PolarHBondContact O-N 3.42Å; P217-S219 PolarHBondContact O-OG 2.67Å
218	W	96.4	Very high	93.1	Very high	80 Å²	80	35.2 Å²	35.2	30%	0.303	20%	0.201	S	C	.	.	S	Bend	trans	-54	129.7	175.7	-178.7	83.3	0	0	0	110.4	L220 P282 K284 Y287	W218-L220 HydrophobicContact CH2-CD1 4.08Å; W218-L220 HydrophobicContact CH2-CD2 4.48Å; W218-L220 HydrophobicContact CH2-CG 3.9Å; W218-L220 HydrophobicContact CZ2-CD1 4.21Å; W218-L220 HydrophobicContact CZ2-CD2 3.91Å; W218-L220 HydrophobicContact CZ2-CG 3.83Å; W218-P282 PolarHBondContact NE1-O 3.5Å; W218-K284 HydrophobicContact CB-CG 4.42Å; W218-K284 HydrophobicContact CD2-CB 3.62Å; W218-K284 HydrophobicContact CD2-CD 4.44Å; W218-K284 HydrophobicContact CD2-CG 3.79Å; W218-K284 HydrophobicContact CE3-CB 3.77Å; W218-K284 HydrophobicContact CE3-CD 3.81Å; W218-K284 HydrophobicContact CE3-CG 3.68Å; W218-K284 HydrophobicContact CG-CB 4.18Å; W218-K284 HydrophobicContact CG-CG 4.14Å; W218-K284 HydrophobicContact CH2-CB 4.11Å; W218-K284 HydrophobicContact CZ2-CB 3.99Å; W218-K284 HydrophobicContact CZ3-CB 4.01Å; W218-K284 HydrophobicContact CZ3-CD 4.04Å; W218-K284 HydrophobicContact CZ3-CG 4.22Å; W218-Y287 HydrophobicContact CB-CD1 3.56Å; W218-Y287 HydrophobicContact CB-CD2 4.46Å; W218-Y287 HydrophobicContact CB-CE1 3.98Å; W218-Y287 HydrophobicContact CB-CG 3.8Å; W218-Y287 VanDerWaalsContact CD1-CB 3.46Å; W218-Y287 AromaticContact CD1-CD2 3.68Å; W218-Y287 AromaticContact CD1-CG 3.52Å; W218-Y287 HydrophobicContact CG-CD1 4.31Å; W218-Y287 HydrophobicContact CG-CD2 4.48Å; W218-Y287 HydrophobicContact CG-CG 4.04Å
219	S	96.9	Very high	93.1	Very high	43 Å²	43	35.3 Å²	35.3	30%	0.301	20%	0.202	S	C	.	.			trans	-156.2	154.4	177.1	51	0	0	0	0	109.6	P217 T227	P217-S219 PolarHBondContact O-N 3.42Å; P217-S219 PolarHBondContact O-OG 2.67Å; S219-T227 PolarHBondContact O-N 2.9Å; S219-T227 VanDerWaalsContact O-N 3.17Å; S219-T227 PolarHBondContact O-OG1 3.36Å; S219-T227 PolarHBondContact OG-OG1 2.97Å
220	L	97.7	Very high	93.1	Very high	88 Å²	88	35.3 Å²	35.3	46%	0.461	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-101.2	143.1	168.8	-61.6	177.4	0	0	0	109.7	W218 L225	W218-L220 HydrophobicContact CH2-CD1 4.08Å; W218-L220 HydrophobicContact CH2-CD2 4.48Å; W218-L220 HydrophobicContact CH2-CG 3.9Å; W218-L220 HydrophobicContact CZ2-CD1 4.21Å; W218-L220 HydrophobicContact CZ2-CD2 3.91Å; W218-L220 HydrophobicContact CZ2-CG 3.83Å; L220-L225 CarbonylContact C-O 3.2Å; L220-L225 VanDerWaalsContact CA-O 3.28Å; L220-L225 WeakPolarHBondContact CA-O 3.39Å
221	T	97.7	Very high	93.1	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.098	20%	0.201	C	C	.	.			trans	-68.2	173	167.3	64.6	0	0	0	0	111.3	A185 D223 G224 L225 Q230	A185-T221 HydrophobicContact CB-CG2 4Å; A185-T221 WeakPolarHBondContact O-CB 3.45Å; T221-D223 PolarHBondContact O-N 3.19Å; T221-D223 PolarHBondContact OG1-N 3.41Å; T221-G224 PolarHBondContact O-N 2.8Å; T221-G224 PolarHBondContact OG1-N 3.29Å; T221-L225 PolarHBondContact N-O 3.16Å; T221-L225 PolarHBondContact OG1-N 2.71Å; T221-L225 PolarHBondContact OG1-O 2.86Å; T221-Q230 VanDerWaalsContact CB-OE1 3.25Å; T221-Q230 HydrophobicContact CG2-CB 3.83Å; T221-Q230 HydrophobicContact CG2-CG 4.1Å; T221-Q230 VanDerWaalsContact CG2-OE1 3.3Å; T221-Q230 PolarHBondContact OG1-OE1 2.8Å
222	K	96.8	Very high	93.4	Very high	164 Å²	164	34.4 Å²	34.4	71%	0.713	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.2	171.2	-70.5	-176	176.8	-177.9	0	113.3	L186 G224	L186-K222 HydrophobicContact CD1-CB 3.93Å; L186-K222 HydrophobicContact CD1-CD 4.22Å; L186-K222 HydrophobicContact CD2-CD 4.47Å; K222-G224 VanDerWaalsContact C-N 3.3Å
223	D	97.1	Very high	93.8	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.7	175.2	-53.6	-58	0	0	0	112.1	L186 L187 T221 Q230 R408	L186-D223 VanDerWaalsContact CA-OD2 3.25Å; L186-D223 WeakPolarHBondContact CA-OD2 3.4Å; L187-D223 HydrophobicContact CD1-CB 4.44Å; L187-D223 PolarHBondContact N-OD2 3.23Å; T221-D223 PolarHBondContact O-N 3.19Å; T221-D223 PolarHBondContact OG1-N 3.41Å; D223-Q230 PolarHBondContact OD2-NE2 3.42Å; D223-R408 HydrophobicContact CB-CB 4.36Å; D223-R408 HydrophobicContact CB-CG 4.46Å; D223-R408 WeakPolarHBondContact O-CD 3.5Å; D223-R408 PolarHBondContact O-NH1 3.35Å
224	G	96.7	Very high	94.4	Very high	31 Å²	31	32.2 Å²	32.2	32%	0.32	18%	0.177	S	C	.	.	S	Bend	trans	75.9	30.5	173.7	0	0	0	0	0	114.4	T221 K222 R408	T221-G224 PolarHBondContact O-N 2.8Å; T221-G224 PolarHBondContact OG1-N 3.29Å; K222-G224 VanDerWaalsContact C-N 3.3Å; G224-R408 PolarHBondContact O-NH1 3.34Å
225	L	97.6	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-119.4	155.9	177.1	-66.5	169.3	0	0	0	110.3	L220 T221 T227 Q230 L234 F277 L404 R408	L220-L225 CarbonylContact C-O 3.2Å; L220-L225 VanDerWaalsContact CA-O 3.28Å; L220-L225 WeakPolarHBondContact CA-O 3.39Å; T221-L225 PolarHBondContact N-O 3.16Å; T221-L225 PolarHBondContact OG1-N 2.71Å; T221-L225 PolarHBondContact OG1-O 2.86Å; L225-T227 PolarHBondContact O-N 3.31Å; L225-Q230 HydrophobicContact CB-CB 4.22Å; L225-L234 HydrophobicContact CD1-CD2 3.24Å; L225-F277 HydrophobicContact CD2-CE2 3.97Å; L225-F277 HydrophobicContact CD2-CZ 3.62Å; L225-L404 HydrophobicContact CD2-CD2 4.41Å; L225-R408 HydrophobicContact CD1-CG 4.41Å
226	E	98	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-57.7	130.8	173.8	-168.8	-76.1	134.6	0	0	110.4	T228 F229 Q230 S281 P282 Y287	E226-T228 PolarHBondContact O-N 3.4Å; E226-T228 VanDerWaalsContact OE1-CB 3.25Å; E226-T228 WeakPolarHBondContact OE1-CB 3.36Å; E226-T228 PolarHBondContact OE1-N 3.43Å; E226-T228 PolarHBondContact OE1-OG1 3.02Å; E226-T228 WeakPolarHBondContact OE2-CA 3.49Å; E226-T228 WeakPolarHBondContact OE2-CB 3.48Å; E226-T228 PolarHBondContact OE2-N 2.86Å; E226-F229 PolarHBondContact O-N 3.36Å; E226-F229 PolarHBondContact OE2-N 2.91Å; E226-Q230 PolarHBondContact O-N 3.24Å; E226-S281 PolarHBondContact N-OG 2.84Å; E226-P282 HydrophobicContact CG-CG 4.48Å; E226-Y287 HydrophobicContact CG-CD2 4.14Å; E226-Y287 HydrophobicContact CG-CE2 4.03Å; E226-Y287 WeakPolarHBondContact OE1-CE2 3.32Å
227	T	97.7	Very high	97.4	Very high	18 Å²	18	26.8 Å²	26.8	11%	0.11	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-43.5	-169.6	-63.8	0	0	0	0	113.7	L216 S219 L225 V231	L216-T227 HydrophobicContact CD1-CG2 3.9Å; S219-T227 PolarHBondContact O-N 2.9Å; S219-T227 VanDerWaalsContact O-N 3.17Å; S219-T227 PolarHBondContact O-OG1 3.36Å; S219-T227 PolarHBondContact OG-OG1 2.97Å; L225-T227 PolarHBondContact O-N 3.31Å; T227-V231 HydrophobicContact CG2-CG2 4.17Å; T227-V231 VanDerWaalsContact O-CB 3.31Å; T227-V231 WeakPolarHBondContact O-CB 3.34Å; T227-V231 VanDerWaalsContact O-CG2 3.25Å; T227-V231 WeakPolarHBondContact O-CG2 3.33Å; T227-V231 PolarHBondContact O-N 3.41Å
228	T	96.4	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-47.9	-177.7	-49.4	0	0	0	0	111.1	E226 N232 Y293	E226-T228 PolarHBondContact O-N 3.4Å; E226-T228 VanDerWaalsContact OE1-CB 3.25Å; E226-T228 WeakPolarHBondContact OE1-CB 3.36Å; E226-T228 PolarHBondContact OE1-N 3.43Å; E226-T228 PolarHBondContact OE1-OG1 3.02Å; E226-T228 WeakPolarHBondContact OE2-CA 3.49Å; E226-T228 WeakPolarHBondContact OE2-CB 3.48Å; E226-T228 PolarHBondContact OE2-N 2.86Å; T228-N232 WeakPolarHBondContact CG2-ND2 3.46Å; T228-N232 WeakPolarHBondContact O-CB 3.33Å; T228-N232 PolarHBondContact O-N 2.93Å; T228-Y293 HydrophobicContact CG2-CD2 4.37Å
229	F	98.3	Very high	97.9	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-59.3	-48.7	175.9	170.4	-112.6	0	0	0	111.9	E226 H233 L234 F277 L280 L404	E226-F229 PolarHBondContact O-N 3.36Å; E226-F229 PolarHBondContact OE2-N 2.91Å; F229-H233 HydrophobicContact CD2-CB 4.36Å; F229-H233 HydrophobicContact CE2-CB 4.36Å; F229-H233 AromaticContact CE2-CD2 3.53Å; F229-H233 WeakPolarHBondContact O-CB 3.5Å; F229-H233 PolarHBondContact O-N 3.06Å; F229-L234 HydrophobicContact CE1-CB 4.43Å; F229-L234 PolarHBondContact O-N 3.36Å; F229-F277 HydrophobicContact CE1-CE2 4.3Å; F229-L280 WeakPolarHBondContact CB-O 3.45Å; F229-L280 HydrophobicContact CD2-CB 3.82Å; F229-L280 HydrophobicContact CE2-CB 3.78Å; F229-L280 HydrophobicContact CE2-CD1 3.81Å; F229-L280 HydrophobicContact CE2-CG 4.27Å; F229-L280 HydrophobicContact CG-CB 4.24Å; F229-L280 HydrophobicContact CZ-CB 4.17Å; F229-L280 HydrophobicContact CZ-CD1 4.14Å; F229-L404 HydrophobicContact CE1-CD1 3.96Å; F229-L404 HydrophobicContact CZ-CD1 4.13Å
230	Q	98.5	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-65.7	-49	-178.8	179.8	169.6	-23.3	0	0	112	L184 A185 T221 D223 L225 E226 L234 G235	L184-Q230 PolarHBondContact O-NE2 3.42Å; A185-Q230 PolarHBondContact O-NE2 3.36Å; T221-Q230 VanDerWaalsContact CB-OE1 3.25Å; T221-Q230 HydrophobicContact CG2-CB 3.83Å; T221-Q230 HydrophobicContact CG2-CG 4.1Å; T221-Q230 VanDerWaalsContact CG2-OE1 3.3Å; T221-Q230 PolarHBondContact OG1-OE1 2.8Å; D223-Q230 PolarHBondContact OD2-NE2 3.42Å; L225-Q230 HydrophobicContact CB-CB 4.22Å; E226-Q230 PolarHBondContact O-N 3.24Å; Q230-L234 HydrophobicContact CG-CB 4.42Å; Q230-L234 PolarHBondContact O-N 3.18Å; Q230-G235 PolarHBondContact O-N 3.26Å
231	V	97.8	Very high	98.1	Very high	15 Å²	15	14.9 Å²	14.9	9%	0.091	8%	0.078	C	C	.	.	I	π-helix	trans	-64.8	-45.6	-176.9	170.3	0	0	0	0	111.3	L184 A185 A213 T227	L184-V231 HydrophobicContact CB-CG1 4.29Å; A185-V231 HydrophobicContact CB-CG2 3.73Å; A213-V231 HydrophobicContact CB-CB 4.04Å; A213-V231 HydrophobicContact CB-CG1 3.96Å; A213-V231 HydrophobicContact CB-CG2 4.45Å; T227-V231 HydrophobicContact CG2-CG2 4.17Å; T227-V231 VanDerWaalsContact O-CB 3.31Å; T227-V231 WeakPolarHBondContact O-CB 3.34Å; T227-V231 VanDerWaalsContact O-CG2 3.25Å; T227-V231 WeakPolarHBondContact O-CG2 3.33Å; T227-V231 PolarHBondContact O-N 3.41Å
232	N	97.9	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-79.5	-36.3	-170.1	-65.4	1.7	0	0	0	112.3	A212 A213 T228 H236 S296 N300	A212-N232 WeakPolarHBondContact CA-OD1 3.42Å; A213-N232 PolarHBondContact N-OD1 2.84Å; A213-N232 PolarHBondContact O-ND2 2.98Å; A213-N232 PolarHBondContact O-OD1 3.34Å; T228-N232 WeakPolarHBondContact CG2-ND2 3.46Å; T228-N232 WeakPolarHBondContact O-CB 3.33Å; T228-N232 PolarHBondContact O-N 2.93Å; N232-H236 PolarHBondContact O-ND1 3.01Å; N232-S296 PolarHBondContact ND2-OG 3.23Å; N232-N300 PolarHBondContact O-ND2 3.28Å; N232-N300 PolarHBondContact O-OD1 3.36Å; N232-N300 VanDerWaalsContact O-OD1 3.05Å
233	H	98.7	Very high	98.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.051	C	C	.	.	I	π-helix	trans	-114.7	-68	-174.4	176.4	69.7	0	0	0	112.5	F229 G235 H236 F237 C299 S401	F229-H233 HydrophobicContact CD2-CB 4.36Å; F229-H233 HydrophobicContact CE2-CB 4.36Å; F229-H233 AromaticContact CE2-CD2 3.53Å; F229-H233 WeakPolarHBondContact O-CB 3.5Å; F229-H233 PolarHBondContact O-N 3.06Å; H233-G235 PolarHBondContact O-N 3.06Å; H233-H236 PolarHBondContact O-N 3.2Å; H233-H236 VanDerWaalsContact O-N 3.12Å; H233-F237 WeakPolarHBondContact O-CB 3.17Å; H233-F237 PolarHBondContact O-N 3.5Å; H233-C299 HydrophobicContact CB-CB 3.99Å; H233-C299 WeakPolarHBondContact ND1-CB 3.5Å; H233-S401 PolarHBondContact NE2-OG 3.18Å
234	L	98.8	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-63.8	-39.4	-166.1	-168	68.2	0	0	0	113.5	L225 F229 Q230 F237 Y238 L404 I405	L225-L234 HydrophobicContact CD1-CD2 3.24Å; F229-L234 HydrophobicContact CE1-CB 4.43Å; F229-L234 PolarHBondContact O-N 3.36Å; Q230-L234 HydrophobicContact CG-CB 4.42Å; Q230-L234 PolarHBondContact O-N 3.18Å; L234-F237 WeakPolarHBondContact O-CB 3.47Å; L234-F237 PolarHBondContact O-N 3.49Å; L234-Y238 WeakPolarHBondContact O-CB 3.49Å; L234-Y238 PolarHBondContact O-N 3.4Å; L234-L404 HydrophobicContact CD1-CB 4.38Å; L234-L404 HydrophobicContact CD2-CB 4.18Å; L234-I405 HydrophobicContact CD1-CD1 4.05Å; L234-I405 HydrophobicContact CD1-CG1 3.97Å; L234-I405 HydrophobicContact CG-CG1 4.2Å
235	G	98.8	Very high	98.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.8	-39.8	176.8	0	0	0	0	0	112.2	L184 Q230 H233 L239	L184-G235 VanDerWaalsContact CD2-C 3.48Å; Q230-G235 PolarHBondContact O-N 3.26Å; H233-G235 PolarHBondContact O-N 3.06Å; G235-L239 WeakPolarHBondContact O-CB 3.36Å; G235-L239 PolarHBondContact O-N 3.34Å
236	H	98.9	Very high	98.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-70.4	-42.2	174.7	-76.5	140.8	0	0	0	112.4	T130 L184 C209 A211 N232 H233 Y238 L239 V240	T130-H236 PolarHBondContact OG1-NE2 2.77Å; L184-H236 WeakPolarHBondContact CD1-NE2 3.48Å; C209-H236 HydrophobicContact CB-CB 4.23Å; A211-H236 PolarHBondContact O-CE1 3.3Å; N232-H236 PolarHBondContact O-ND1 3.01Å; H233-H236 PolarHBondContact O-N 3.2Å; H233-H236 VanDerWaalsContact O-N 3.12Å; H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.1Å; H236-L239 WeakPolarHBondContact O-CB 3.49Å; H236-L239 PolarHBondContact O-N 3.19Å; H236-V240 WeakPolarHBondContact O-CG2 3.47Å; H236-V240 PolarHBondContact O-N 3.37Å
237	F	98.9	Very high	98.4	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-53.4	-50.3	173	178.9	-84.4	0	0	0	110.2	H233 L234 L239 V240 Q241 F303 W398 E402 I405	H233-F237 WeakPolarHBondContact O-CB 3.17Å; H233-F237 PolarHBondContact O-N 3.5Å; L234-F237 WeakPolarHBondContact O-CB 3.47Å; L234-F237 PolarHBondContact O-N 3.49Å; F237-L239 PolarHBondContact O-N 3.35Å; F237-V240 PolarHBondContact O-N 3.45Å; F237-Q241 HydrophobicContact CD1-CG 4.04Å; F237-Q241 HydrophobicContact CE1-CG 3.71Å; F237-Q241 HydrophobicContact CZ-CG 4.12Å; F237-Q241 VanDerWaalsContact O-CG 3.26Å; F237-Q241 WeakPolarHBondContact O-CG 3.44Å; F237-Q241 PolarHBondContact O-N 2.91Å; F237-F303 HydrophobicContact CB-CE2 4.37Å; F237-F303 AromaticContact CD2-CD2 3.54Å; F237-F303 HydrophobicContact CD2-CD2 3.54Å; F237-F303 AromaticContact CD2-CE2 3.46Å; F237-F303 HydrophobicContact CD2-CE2 3.46Å; F237-F303 VanDerWaalsContact CD2-CE2 3.46Å; F237-F303 HydrophobicContact CD2-CG 4.5Å; F237-F303 HydrophobicContact CD2-CZ 4.38Å; F237-F303 HydrophobicContact CE2-CD2 4.15Å; F237-F303 HydrophobicContact CE2-CE2 4.08Å; F237-F303 HydrophobicContact CG-CE2 4.24Å; F237-W398 HydrophobicContact CD2-CE3 4.48Å; F237-W398 HydrophobicContact CE2-CB 4.48Å; F237-W398 AromaticContact CE2-CD2 3.52Å; F237-W398 HydrophobicContact CE2-CD2 3.52Å; F237-W398 AromaticContact CE2-CE2 3.83Å; F237-W398 AromaticContact CE2-CE3 3.58Å; F237-W398 HydrophobicContact CE2-CE3 3.58Å; F237-W398 AromaticContact CE2-CG 3.94Å; F237-W398 HydrophobicContact CE2-CG 3.94Å; F237-W398 HydrophobicContact CE2-CH2 4.26Å; F237-W398 HydrophobicContact CE2-CZ2 4.2Å; F237-W398 AromaticContact CE2-CZ3 3.97Å; F237-W398 HydrophobicContact CE2-CZ3 3.97Å; F237-W398 AromaticContact CZ-CD2 3.87Å; F237-W398 HydrophobicContact CZ-CD2 3.87Å; F237-W398 AromaticContact CZ-CE2 3.76Å; F237-W398 HydrophobicContact CZ-CE3 4.36Å; F237-W398 HydrophobicContact CZ-CG 4.08Å; F237-W398 HydrophobicContact CZ-CZ2 4.19Å; F237-W398 AromaticContact CZ-NE1 3.89Å; F237-E402 HydrophobicContact CE1-CG 3.86Å; F237-E402 HydrophobicContact CZ-CG 3.71Å; F237-I405 HydrophobicContact CD1-CD1 3.52Å; F237-I405 HydrophobicContact CE1-CD1 3.87Å
238	Y	98.9	Very high	98.4	Very high	23 Å²	23	13.2 Å²	13.2	9%	0.09	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-40.9	179.3	-170.4	-143.2	0	0	0	112.5	L187 V190 Q191 L234 H236 V240 Q241 L242 I405 L409	L187-Y238 HydrophobicContact CB-CD1 4.27Å; L187-Y238 HydrophobicContact CB-CE1 4.29Å; L187-Y238 HydrophobicContact CD2-CD1 3.77Å; L187-Y238 HydrophobicContact CD2-CG 4.3Å; L187-Y238 WeakPolarHBondContact O-CE1 3.19Å; V190-Y238 HydrophobicContact CB-CD1 3.85Å; V190-Y238 HydrophobicContact CB-CE1 4.36Å; V190-Y238 HydrophobicContact CG1-CD1 3.81Å; V190-Y238 HydrophobicContact CG1-CG 4.32Å; Q191-Y238 HydrophobicContact CB-CE1 4.27Å; L234-Y238 WeakPolarHBondContact O-CB 3.49Å; L234-Y238 PolarHBondContact O-N 3.4Å; H236-Y238 VanDerWaalsContact C-N 3.28Å; H236-Y238 PolarHBondContact O-N 3.1Å; Y238-V240 VanDerWaalsContact C-N 3.34Å; Y238-V240 PolarHBondContact O-N 3.32Å; Y238-Q241 PolarHBondContact O-N 3.41Å; Y238-L242 HydrophobicContact CD1-CD1 4.13Å; Y238-L242 HydrophobicContact CD2-CD1 4.18Å; Y238-L242 HydrophobicContact CD2-CG 4.01Å; Y238-L242 HydrophobicContact CE1-CD1 3.77Å; Y238-L242 HydrophobicContact CE2-CD1 3.82Å; Y238-L242 HydrophobicContact CE2-CD2 3.77Å; Y238-L242 HydrophobicContact CE2-CG 3.67Å; Y238-L242 HydrophobicContact CG-CD1 4.32Å; Y238-L242 WeakPolarHBondContact O-CG 3.46Å; Y238-L242 PolarHBondContact O-N 2.98Å; Y238-I405 HydrophobicContact CD2-CD1 3.86Å; Y238-I405 HydrophobicContact CD2-CG1 4.4Å; Y238-I405 HydrophobicContact CD2-CG2 3.72Å; Y238-I405 HydrophobicContact CE2-CG2 3.69Å; Y238-I405 HydrophobicContact CG-CD1 3.94Å; Y238-I405 HydrophobicContact CG-CG1 4.33Å; Y238-I405 HydrophobicContact CG-CG2 4.2Å; Y238-L409 HydrophobicContact CE1-CD1 4.03Å; Y238-L409 HydrophobicContact CE2-CD1 4.37Å; Y238-L409 VanDerWaalsContact OH-CD1 3.29Å; Y238-L409 WeakPolarHBondContact OH-CD1 3.33Å
239	L	98.9	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-47.8	176.1	178.6	63.7	0	0	0	111.6	T130 L182 V190 F193 L207 G235 H236 F237 L242 L243	T130-L239 HydrophobicContact CG2-CD2 3.59Å; L182-L239 HydrophobicContact CD2-CD2 3.98Å; V190-L239 HydrophobicContact CG1-CB 3.74Å; V190-L239 HydrophobicContact CG1-CD1 4.13Å; F193-L239 HydrophobicContact CD1-CD1 3.48Å; F193-L239 VanDerWaalsContact CD1-CD1 3.48Å; F193-L239 HydrophobicContact CE1-CD1 3.72Å; L207-L239 HydrophobicContact CD1-CD2 4.28Å; G235-L239 WeakPolarHBondContact O-CB 3.36Å; G235-L239 PolarHBondContact O-N 3.34Å; H236-L239 WeakPolarHBondContact O-CB 3.49Å; H236-L239 PolarHBondContact O-N 3.19Å; F237-L239 PolarHBondContact O-N 3.35Å; L239-L242 PolarHBondContact O-N 3.03Å; L239-L243 HydrophobicContact CD1-CD1 3.68Å; L239-L243 HydrophobicContact CD1-CG 4.27Å; L239-L243 HydrophobicContact CG-CD1 4.08Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 WeakPolarHBondContact O-CG 3.46Å; L239-L243 PolarHBondContact O-N 3.4Å; L239-L243 VanDerWaalsContact O-N 3.14Å
240	V	98.8	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-44.6	178.4	172.3	0	0	0	0	110.7	L207 H236 F237 Y238 L242 L243 Q244 V255 F303 L307	L207-V240 HydrophobicContact CD2-CG2 3.69Å; H236-V240 WeakPolarHBondContact O-CG2 3.47Å; H236-V240 PolarHBondContact O-N 3.37Å; F237-V240 PolarHBondContact O-N 3.45Å; Y238-V240 VanDerWaalsContact C-N 3.34Å; Y238-V240 PolarHBondContact O-N 3.32Å; V240-L242 VanDerWaalsContact C-N 3.27Å; V240-L242 PolarHBondContact O-N 3.38Å; V240-L243 CarbonylContact O-C 3.53Å; V240-L243 PolarHBondContact O-N 3.34Å; V240-L243 VanDerWaalsContact O-N 3.08Å; V240-Q244 WeakPolarHBondContact O-CB 3.44Å; V240-Q244 PolarHBondContact O-N 3.06Å; V240-V255 HydrophobicContact CG2-CG1 4.16Å; V240-F303 HydrophobicContact CB-CZ 3.88Å; V240-F303 HydrophobicContact CG1-CZ 4.11Å; V240-F303 HydrophobicContact CG2-CE1 4.17Å; V240-F303 HydrophobicContact CG2-CZ 3.8Å; V240-L307 HydrophobicContact CG1-CD1 3.59Å; V240-L307 HydrophobicContact CG1-CD2 3.73Å; V240-L307 HydrophobicContact CG1-CG 4.34Å
241	Q	98.5	Very high	98.4	Very high	35 Å²	35	24.8 Å²	24.8	16%	0.164	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-40.9	177.7	-72.1	-79.4	39.5	0	0	112.2	F237 Y238 L243 Q244 W398 E402	F237-Q241 HydrophobicContact CD1-CG 4.04Å; F237-Q241 HydrophobicContact CE1-CG 3.71Å; F237-Q241 HydrophobicContact CZ-CG 4.12Å; F237-Q241 VanDerWaalsContact O-CG 3.26Å; F237-Q241 WeakPolarHBondContact O-CG 3.44Å; F237-Q241 PolarHBondContact O-N 2.91Å; Y238-Q241 PolarHBondContact O-N 3.41Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 3.39Å; Q241-Q244 WeakPolarHBondContact O-CG 3.46Å; Q241-W398 VanDerWaalsContact NE2-CZ2 3.35Å; Q241-E402 PolarHBondContact NE2-OE1 3.09Å; Q241-E402 VanDerWaalsContact NE2-OE1 3.08Å
242	L	98.8	Very high	98.4	Very high	43 Å²	43	27.8 Å²	27.8	23%	0.225	15%	0.146	C	C	.	.	H	α-helix	trans	-73.9	-22.7	178.5	-67.9	174.5	0	0	0	114.1	V190 Q191 A194 Y238 L239 V240	V190-L242 HydrophobicContact CG1-CD1 4.3Å; Q191-L242 HydrophobicContact CB-CD1 4.31Å; A194-L242 HydrophobicContact CB-CB 3.59Å; A194-L242 HydrophobicContact CB-CD1 3.76Å; A194-L242 HydrophobicContact CB-CG 4.32Å; Y238-L242 HydrophobicContact CD1-CD1 4.13Å; Y238-L242 HydrophobicContact CD2-CD1 4.18Å; Y238-L242 HydrophobicContact CD2-CG 4.01Å; Y238-L242 HydrophobicContact CE1-CD1 3.77Å; Y238-L242 HydrophobicContact CE2-CD1 3.82Å; Y238-L242 HydrophobicContact CE2-CD2 3.77Å; Y238-L242 HydrophobicContact CE2-CG 3.67Å; Y238-L242 HydrophobicContact CG-CD1 4.32Å; Y238-L242 WeakPolarHBondContact O-CG 3.46Å; Y238-L242 PolarHBondContact O-N 2.98Å; L239-L242 PolarHBondContact O-N 3.03Å; V240-L242 VanDerWaalsContact C-N 3.27Å; V240-L242 PolarHBondContact O-N 3.38Å
243	L	98.8	Very high	98.4	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-104.8	-4.8	-177	-66.1	-177.2	0	0	0	113.9	F193 A194 F197 L204 L207 L239 V240 Q241 D245 G246 L247	F193-L243 HydrophobicContact CE1-CD1 4.27Å; A194-L243 HydrophobicContact CB-CD2 3.98Å; A194-L243 HydrophobicContact CB-CG 4.39Å; F197-L243 HydrophobicContact CD1-CD2 3.59Å; F197-L243 HydrophobicContact CE1-CD2 4.26Å; F197-L243 HydrophobicContact CG-CD2 4.39Å; L204-L243 HydrophobicContact CD2-CB 3.95Å; L204-L243 HydrophobicContact CD2-CD1 3.93Å; L204-L243 HydrophobicContact CD2-CG 4.4Å; L207-L243 HydrophobicContact CD2-CD1 4.32Å; L239-L243 HydrophobicContact CD1-CD1 3.68Å; L239-L243 HydrophobicContact CD1-CG 4.27Å; L239-L243 HydrophobicContact CG-CD1 4.08Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 WeakPolarHBondContact O-CG 3.46Å; L239-L243 PolarHBondContact O-N 3.4Å; L239-L243 VanDerWaalsContact O-N 3.14Å; V240-L243 CarbonylContact O-C 3.53Å; V240-L243 PolarHBondContact O-N 3.34Å; V240-L243 VanDerWaalsContact O-N 3.08Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 3.39Å; L243-D245 VanDerWaalsContact C-N 3.29Å; L243-D245 PolarHBondContact O-N 2.92Å; L243-G246 WeakPolarHBondContact O-CA 3.47Å; L243-G246 PolarHBondContact O-N 3.2Å; L243-L247 PolarHBondContact O-N 3.15Å
244	Q	97.9	Very high	98.4	Very high	48 Å²	48	29.1 Å²	29.1	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-38.8	-173.5	71.4	-177.9	-16.8	0	0	113.3	V240 Q241 G246 L247 C248 L311	V240-Q244 WeakPolarHBondContact O-CB 3.44Å; V240-Q244 PolarHBondContact O-N 3.06Å; Q241-Q244 WeakPolarHBondContact O-CG 3.46Å; Q244-G246 VanDerWaalsContact C-N 3.31Å; Q244-G246 PolarHBondContact O-N 3.01Å; Q244-L247 WeakPolarHBondContact O-CB 3.41Å; Q244-L247 PolarHBondContact O-N 2.79Å; Q244-C248 PolarHBondContact O-N 2.98Å; Q244-C248 PolarHBondContact O-SG 2.7Å; Q244-L311 HydrophobicContact CB-CD1 4.24Å
245	D	97.7	Very high	98.4	Very high	76 Å²	76	29.1 Å²	29.1	41%	0.406	15%	0.151	S	C	.	.	H	α-helix	trans	-70	-31.8	178.9	-70.2	-32.8	0	0	0	112.2	L243 R249 R314	L243-D245 VanDerWaalsContact C-N 3.29Å; L243-D245 PolarHBondContact O-N 2.92Å; D245-R249 WeakPolarHBondContact O-CB 3.3Å; D245-R249 VanDerWaalsContact O-CG 3.31Å; D245-R249 WeakPolarHBondContact O-CG 3.25Å; D245-R249 PolarHBondContact O-N 3.48Å; D245-R314 IonicContact OD1-CZ 3.93Å; D245-R314 IonicContact OD1-NH1 2.77Å; D245-R314 IonicContact OD1-NH2 2.86Å; D245-R314 PolarHBondContact OD1-NH2 3.06Å
246	G	98.2	Very high	98.4	Very high	14 Å²	14	29.1 Å²	29.1	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-43.8	171.6	0	0	0	0	0	111.6	L243 Q244 R249 S250	L243-G246 WeakPolarHBondContact O-CA 3.47Å; L243-G246 PolarHBondContact O-N 3.2Å; Q244-G246 VanDerWaalsContact C-N 3.31Å; Q244-G246 PolarHBondContact O-N 3.01Å; G246-R249 PolarHBondContact O-N 3.5Å; G246-S250 WeakPolarHBondContact O-CB 3.49Å; G246-S250 PolarHBondContact O-N 3.41Å; G246-S250 VanDerWaalsContact O-N 3.15Å; G246-S250 PolarHBondContact O-OG 2.86Å
247	L	98.7	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-50.1	174.6	-72.3	161.4	0	0	0	111.2	L204 L207 L243 Q244 R249 S250 A251 A253 V255 V316	L204-L247 HydrophobicContact CB-CD2 4.5Å; L204-L247 HydrophobicContact CD2-CD2 3.94Å; L204-L247 HydrophobicContact CD2-CG 3.88Å; L204-L247 HydrophobicContact CG-CD2 3.74Å; L204-L247 HydrophobicContact CG-CG 4.15Å; L207-L247 HydrophobicContact CB-CD2 4.26Å; L207-L247 HydrophobicContact CD2-CD1 4.32Å; L243-L247 PolarHBondContact O-N 3.15Å; Q244-L247 WeakPolarHBondContact O-CB 3.41Å; Q244-L247 PolarHBondContact O-N 2.79Å; L247-R249 PolarHBondContact O-N 2.98Å; L247-S250 CarbonylContact O-C 3.57Å; L247-S250 PolarHBondContact O-N 2.71Å; L247-A251 PolarHBondContact O-N 2.68Å; L247-A253 HydrophobicContact CB-CB 4.37Å; L247-A253 HydrophobicContact CD2-CB 4.01Å; L247-A253 WeakPolarHBondContact O-CB 3.15Å; L247-V255 HydrophobicContact CD1-CG2 3.63Å; L247-V255 HydrophobicContact CD2-CG2 4.14Å; L247-V316 HydrophobicContact CB-CG1 4.2Å; L247-V316 HydrophobicContact CB-CG2 4.01Å
248	C	98.5	Very high	98.3	Very high	16 Å²	16	29.4 Å²	29.4	11%	0.108	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-38.7	-179.3	-65.9	0	0	0	0	112.9	Q244 S250 A251 R314 V316	Q244-C248 PolarHBondContact O-N 2.98Å; Q244-C248 PolarHBondContact O-SG 2.7Å; C248-S250 PolarHBondContact O-N 2.75Å; C248-A251 WeakPolarHBondContact O-CB 3.34Å; C248-A251 PolarHBondContact O-N 2.72Å; C248-R314 HydrophobicContact CB-CB 4.3Å; C248-R314 PolarHBondContact SG-NE 2.85Å; C248-R314 VanDerWaalsContact SG-NE 3.4Å; C248-V316 HydrophobicContact CB-CG2 4.38Å
249	R	98.1	Very high	98.1	Very high	185 Å²	185	28.3 Å²	28.3	70%	0.698	15%	0.149	S	C	*	.	H	α-helix	trans	-66.7	-20.8	173.9	-75.7	-169	-58.7	-95.3	0.8	113.3	D245 G246 L247	D245-R249 WeakPolarHBondContact O-CB 3.3Å; D245-R249 VanDerWaalsContact O-CG 3.31Å; D245-R249 WeakPolarHBondContact O-CG 3.25Å; D245-R249 PolarHBondContact O-N 3.48Å; G246-R249 PolarHBondContact O-N 3.5Å; L247-R249 PolarHBondContact O-N 2.98Å
250	S	98	Very high	97.6	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	12.4	-179	-48.4	0	0	0	0	112.4	P203 L204 G246 L247 C248 P252	P203-S250 WeakPolarHBondContact CA-OG 3.47Å; P203-S250 WeakPolarHBondContact CB-OG 3.39Å; L204-S250 PolarHBondContact N-OG 3.44Å; L204-S250 WeakPolarHBondContact O-CB 3.26Å; G246-S250 WeakPolarHBondContact O-CB 3.49Å; G246-S250 PolarHBondContact O-N 3.41Å; G246-S250 VanDerWaalsContact O-N 3.15Å; G246-S250 PolarHBondContact O-OG 2.86Å; L247-S250 CarbonylContact O-C 3.57Å; L247-S250 PolarHBondContact O-N 2.71Å; C248-S250 PolarHBondContact O-N 2.75Å; S250-P252 CarbonylContact O-C 3.54Å
251	A	96.5	Very high	97.1	Very high	47 Å²	47	30.8 Å²	30.8	39%	0.388	16%	0.163	S	C	.	.			trans	-56.1	140.8	-179.1	0	0	0	0	0	111.2	L247 C248	L247-A251 PolarHBondContact O-N 2.68Å; C248-A251 WeakPolarHBondContact O-CB 3.34Å; C248-A251 PolarHBondContact O-N 2.72Å
252	P	97.1	Very high	96.5	Very high	78 Å²	78	30 Å²	30	51%	0.506	16%	0.161	S	C	.	.	S	Bend	cis	-71.4	129.7	0.9	29.4	-34.5	0	0	0	112.5	S250 G315	S250-P252 CarbonylContact O-C 3.54Å; P252-G315 WeakPolarHBondContact CA-O 3.45Å
253	A	98.4	Very high	96.2	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.7	-179.6	0	0	0	0	0	111.5	H205 L247 G315 V316 T317	H205-A253 CarbonylContact O-C 3.56Å; H205-A253 WeakPolarHBondContact O-CA 3.36Å; H205-A253 WeakPolarHBondContact O-CB 3.36Å; L247-A253 HydrophobicContact CB-CB 4.37Å; L247-A253 HydrophobicContact CD2-CB 4.01Å; L247-A253 WeakPolarHBondContact O-CB 3.15Å; A253-G315 PolarHBondContact N-O 3.38Å; A253-V316 HydrophobicContact CB-CG1 4.42Å; A253-V316 HydrophobicContact CB-CG2 4.32Å; A253-V316 WeakPolarHBondContact O-CA 3.46Å; A253-T317 PolarHBondContact O-N 3.33Å
254	R	98.7	Very high	95.8	Very high	28 Å²	28	32 Å²	32	11%	0.106	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.4	-175.3	-55.6	-168.1	-174.4	178.1	1.6	112	H205 V206 L207 I256 T317 C362 A363 A365	H205-R254 PolarHBondContact O-N 2.83Å; V206-R254 VanDerWaalsContact CA-O 3.31Å; V206-R254 WeakPolarHBondContact CA-O 3.42Å; L207-R254 PolarHBondContact N-O 2.81Å; R254-I256 HydrophobicContact CB-CD1 4.44Å; R254-T317 CarbonylContact C-O 3.55Å; R254-T317 WeakPolarHBondContact CA-O 3.43Å; R254-C362 WeakPolarHBondContact CD-O 3.44Å; R254-C362 PolarHBondContact NH1-O 3.23Å; R254-A363 WeakPolarHBondContact CD-O 3.36Å; R254-A365 PolarHBondContact NH1-O 3.43Å; R254-A365 PolarHBondContact NH2-O 3.07Å
255	V	98.9	Very high	95.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.1	171.2	-174.9	0	0	0	0	109.1	L207 V240 L247 V257 L307 V316 T317 S318 N319	L207-V255 HydrophobicContact CB-CG2 4.43Å; L207-V255 CarbonylContact O-C 3.51Å; L207-V255 WeakPolarHBondContact O-CA 3.35Å; V240-V255 HydrophobicContact CG2-CG1 4.16Å; L247-V255 HydrophobicContact CD1-CG2 3.63Å; L247-V255 HydrophobicContact CD2-CG2 4.14Å; V255-V257 HydrophobicContact CG1-CG2 4.21Å; V255-L307 HydrophobicContact CB-CD2 3.86Å; V255-L307 HydrophobicContact CG1-CD2 3.7Å; V255-L307 HydrophobicContact CG2-CD2 4.09Å; V255-V316 HydrophobicContact CG2-CG1 4.06Å; V255-T317 PolarHBondContact N-O 3.49Å; V255-S318 WeakPolarHBondContact O-CA 3.24Å; V255-S318 PolarHBondContact O-OG 3Å; V255-N319 PolarHBondContact O-N 2.97Å
256	I	98.8	Very high	95.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	178.6	-51.2	-50.5	0	0	0	109	L207 V208 C209 R254 N319 V321 T359 C362 A363	L207-I256 PolarHBondContact O-N 3.29Å; V208-I256 WeakPolarHBondContact CA-O 3.37Å; V208-I256 HydrophobicContact CG2-CB 4.5Å; C209-I256 PolarHBondContact N-O 2.93Å; R254-I256 HydrophobicContact CB-CD1 4.44Å; I256-N319 WeakPolarHBondContact CA-O 3.46Å; I256-N319 HydrophobicContact CD1-CB 4.36Å; I256-V321 HydrophobicContact CG2-CB 4.45Å; I256-V321 HydrophobicContact CG2-CG1 3.69Å; I256-V321 HydrophobicContact CG2-CG2 3.81Å; I256-T359 HydrophobicContact CG2-CG2 3.92Å; I256-C362 HydrophobicContact CD1-CB 3.61Å; I256-C362 HydrophobicContact CG1-CB 4.33Å; I256-C362 HydrophobicContact CG2-CB 4.39Å; I256-A363 HydrophobicContact CD1-CB 4.49Å; I256-A363 HydrophobicContact CG1-CB 3.85Å
257	V	98.8	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.6	-177.9	-169.3	0	0	0	0	110	C209 V255 S259 N300 F303 N319 A320 V321	C209-V257 HydrophobicContact CB-CG1 4.34Å; V255-V257 HydrophobicContact CG1-CG2 4.21Å; V257-S259 PolarHBondContact O-N 3.04Å; V257-N300 HydrophobicContact CG1-CB 3.68Å; V257-F303 HydrophobicContact CG1-CD1 4.15Å; V257-F303 HydrophobicContact CG2-CD1 4.02Å; V257-F303 HydrophobicContact CG2-CE1 4.03Å; V257-N319 PolarHBondContact N-O 2.79Å; V257-A320 CarbonylContact O-C 3.5Å; V257-A320 VanDerWaalsContact O-CA 3.29Å; V257-A320 WeakPolarHBondContact O-CA 3.24Å; V257-V321 PolarHBondContact O-N 3.23Å
258	V	97.8	Very high	94.6	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.7	-178.2	-177.4	0	0	0	0	110.4	V208 C209 N210 K297 N300 V321 P323	V208-V258 HydrophobicContact CG1-CG2 4.48Å; C209-V258 WeakPolarHBondContact O-CB 3.39Å; C209-V258 PolarHBondContact O-N 3.18Å; N210-V258 HydrophobicContact CB-CG2 3.94Å; V258-K297 PolarHBondContact O-NZ 3.18Å; V258-N300 PolarHBondContact O-ND2 2.88Å; V258-V321 HydrophobicContact CB-CG2 4.39Å; V258-V321 HydrophobicContact CG2-CG2 3.93Å; V258-P323 HydrophobicContact CG1-CG 4.34Å
259	S	95.3	Very high	94.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	19%	0.186	C	C	.	.			trans	-100.8	-156.4	173.2	-171.1	0	0	0	0	111	V257 K297 V301 V321	V257-S259 PolarHBondContact O-N 3.04Å; S259-K297 PolarHBondContact OG-O 3.35Å; S259-V301 VanDerWaalsContact OG-CG2 3.27Å; S259-V301 WeakPolarHBondContact OG-CG2 3.44Å; S259-V321 CarbonylContact C-O 3.43Å; S259-V321 WeakPolarHBondContact CA-O 3.43Å; S259-V321 PolarHBondContact N-O 2.92Å
260	S	88.1	Confident	93.9	Very high	18 Å²	18	31.1 Å²	31.1	13%	0.126	17%	0.166	C	C	.	.			trans	-157	154.5	175.4	-174.9	0	0	0	0	110.5	S262 H263 H322	S260-S262 PolarHBondContact O-N 2.93Å; S260-S262 PolarHBondContact OG-N 3.23Å; S260-H263 WeakPolarHBondContact O-CB 3.49Å; S260-H263 PolarHBondContact O-N 3.3Å; S260-H263 PolarHBondContact O-ND1 3.41Å; S260-H322 VanDerWaalsContact CA-ND1 3.33Å; S260-H322 WeakPolarHBondContact CA-ND1 3.48Å
261	E	87.4	Confident	93.3	Very high	34 Å²	34	36.4 Å²	36.4	16%	0.159	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-54.5	-20.3	166	-74.5	-59.1	127.6	0	0	113.1	H263 R264 H322 Y375 N377	E261-H263 PolarHBondContact O-N 3.01Å; E261-H263 VanDerWaalsContact O-N 3.14Å; E261-R264 WeakPolarHBondContact O-CG 3.2Å; E261-R264 PolarHBondContact O-N 3.09Å; E261-R264 IonicContact OE1-NH2 3.37Å; E261-R264 IonicContact OE2-CZ 2.91Å; E261-R264 IonicContact OE2-NE 3.24Å; E261-R264 PolarHBondContact OE2-NE 2.82Å; E261-R264 IonicContact OE2-NH2 3.22Å; E261-H322 PolarHBondContact N-ND1 3.45Å; E261-H322 VanDerWaalsContact N-ND1 3.18Å; E261-Y375 WeakPolarHBondContact OE1-CE1 3.2Å; E261-Y375 PolarHBondContact OE1-OH 3.07Å; E261-N377 PolarHBondContact OE1-ND2 3.19Å
262	S	86.2	Confident	92.8	Very high	18 Å²	18	40.6 Å²	40.6	13%	0.126	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.4	-18.3	175.7	92.7	0	0	0	0	114	S260 R264 F265 N294	S260-S262 PolarHBondContact O-N 2.93Å; S260-S262 PolarHBondContact OG-N 3.23Å; S262-R264 PolarHBondContact O-N 3.31Å; S262-R264 VanDerWaalsContact O-N 3.09Å; S262-F265 PolarHBondContact O-N 3.01Å; S262-F265 VanDerWaalsContact O-N 3.09Å; S262-N294 WeakPolarHBondContact CB-OD1 3.37Å; S262-N294 WeakPolarHBondContact O-CB 3.35Å; S262-N294 VanDerWaalsContact O-CG 3.29Å; S262-N294 PolarHBondContact OG-OD1 3.37Å
263	H	91.9	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.4	-20.8	174.5	82.5	-91.1	0	0	0	113.6	S260 E261 F265 K297 L298 V301 Y375 S385	S260-H263 WeakPolarHBondContact O-CB 3.49Å; S260-H263 PolarHBondContact O-N 3.3Å; S260-H263 PolarHBondContact O-ND1 3.41Å; E261-H263 PolarHBondContact O-N 3.01Å; E261-H263 VanDerWaalsContact O-N 3.14Å; H263-F265 VanDerWaalsContact C-N 3.34Å; H263-K297 HydrophobicContact CB-CB 4.23Å; H263-L298 HydrophobicContact CB-CB 4.2Å; H263-V301 HydrophobicContact CB-CG2 4.5Å; H263-Y375 AromaticContact CE1-CE1 3.96Å; H263-Y375 AromaticContact CE1-CE2 3.94Å; H263-Y375 AromaticContact CE1-CZ 3.57Å; H263-Y375 AromaticContact ND1-CZ 3.93Å; H263-S385 PolarHBondContact NE2-N 3.05Å
264	R	90.8	Very high	92	Very high	88 Å²	88	45.6 Å²	45.6	33%	0.332	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-79.3	-17.2	179.9	-57.5	-177	-173.8	-80.3	-2.6	113.5	E261 S262 M383	E261-R264 WeakPolarHBondContact O-CG 3.2Å; E261-R264 PolarHBondContact O-N 3.09Å; E261-R264 IonicContact OE1-NH2 3.37Å; E261-R264 IonicContact OE2-CZ 2.91Å; E261-R264 IonicContact OE2-NE 3.24Å; E261-R264 PolarHBondContact OE2-NE 2.82Å; E261-R264 IonicContact OE2-NH2 3.22Å; S262-R264 PolarHBondContact O-N 3.31Å; S262-R264 VanDerWaalsContact O-N 3.09Å; R264-M383 VanDerWaalsContact CZ-O 3.31Å; R264-M383 PolarHBondContact NH1-O 3.34Å; R264-M383 PolarHBondContact NH2-O 3.42Å
265	F	90.2	Very high	91.8	Very high	152 Å²	152	45.9 Å²	45.9	67%	0.667	25%	0.247	S	C	*	.	S	Bend	trans	-108.6	51.9	-172.2	-55.5	-73.5	0	0	0	110.9	S262 H263 N294	S262-F265 PolarHBondContact O-N 3.01Å; S262-F265 VanDerWaalsContact O-N 3.09Å; H263-F265 VanDerWaalsContact C-N 3.34Å; F265-N294 PolarHBondContact O-ND2 3.13Å
266	T	92.4	Very high	91.5	Very high	23 Å²	23	47.9 Å²	47.9	14%	0.141	26%	0.258	C	S	.	.			trans	-165.4	166.9	179.1	-169.4	0	0	0	0	111	L291 N294 R295 L298	T266-L291 WeakPolarHBondContact OG1-CD1 3.48Å; T266-N294 HydrophobicContact CG2-CB 4.03Å; T266-R295 HydrophobicContact CG2-CG 4.37Å; T266-R295 WeakPolarHBondContact OG1-CG 3.32Å; T266-L298 HydrophobicContact CG2-CB 3.9Å; T266-L298 HydrophobicContact CG2-CD2 3.78Å; T266-L298 HydrophobicContact CG2-CG 4.48Å
267	D	90.4	Very high	91.4	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	27%	0.271	S	S	.	.			trans	-131.3	148.4	165.3	55.2	-7.9	0	0	0	110.5	R279 R295 E387	D267-R279 IonicContact OD1-NH1 2.9Å; D267-R279 PolarHBondContact OD1-NH1 2.91Å; D267-R279 IonicContact OD2-CZ 3.66Å; D267-R279 IonicContact OD2-NH1 2.65Å; D267-R279 PolarHBondContact OD2-NH1 3.47Å; D267-R279 IonicContact OD2-NH2 3.93Å; D267-R295 PolarHBondContact O-NE 3.1Å; D267-R295 IonicContact OD1-NH2 2.75Å; D267-E387 WeakPolarHBondContact CA-OE2 3.3Å
268	I	94.8	Very high	91.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.			trans	-120.6	-8.5	174.8	60.4	175	0	0	0	113.1	L275 D276 L280 R295 L298 L302 E387 T393	I268-L275 HydrophobicContact CB-CD1 3.96Å; I268-L275 HydrophobicContact CD1-CD1 3.53Å; I268-L275 HydrophobicContact CG1-CD1 3.7Å; I268-D276 PolarHBondContact O-N 3.23Å; I268-L280 HydrophobicContact CB-CD2 3.9Å; I268-L280 HydrophobicContact CG2-CD2 3.51Å; I268-R295 HydrophobicContact CG2-CB 3.92Å; I268-R295 HydrophobicContact CG2-CG 3.77Å; I268-L298 HydrophobicContact CD1-CD2 4.15Å; I268-L298 HydrophobicContact CD1-CG 4.34Å; I268-L298 HydrophobicContact CG1-CD2 3.97Å; I268-L298 HydrophobicContact CG2-CD2 4.05Å; I268-L302 HydrophobicContact CD1-CD1 3.53Å; I268-E387 VanDerWaalsContact CG1-OE1 3.24Å; I268-E387 WeakPolarHBondContact CG1-OE1 3.07Å; I268-E387 PolarHBondContact N-OE1 2.89Å; I268-T393 HydrophobicContact CD1-CG2 3.81Å; I268-T393 HydrophobicContact CG1-CG2 4.12Å
269	N	92.9	Very high	91	Very high	25 Å²	25	56.7 Å²	56.7	13%	0.134	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-90.4	155.1	175.2	-68.2	-16.5	0	0	0	112.4	G273 K274 L275 R279 E387 T393	N269-G273 PolarHBondContact ND2-O 3.49Å; N269-K274 CarbonylContact C-O 3.59Å; N269-K274 WeakPolarHBondContact CA-O 3.47Å; N269-L275 VanDerWaalsContact OD1-CA 3.3Å; N269-L275 WeakPolarHBondContact OD1-CA 3.49Å; N269-L275 PolarHBondContact OD1-N 3.49Å; N269-R279 VanDerWaalsContact O-CZ 3.28Å; N269-R279 PolarHBondContact O-NE 2.97Å; N269-R279 PolarHBondContact O-NH1 2.7Å; N269-E387 PolarHBondContact N-OE1 2.93Å; N269-T393 PolarHBondContact ND2-OG1 3.18Å
270	D	89.1	Confident	91.1	Very high	51 Å²	51	56.7 Å²	56.7	27%	0.273	30%	0.303	S	S	.	.			trans	-77.9	-178.4	170.9	69.9	13.5	0	0	0	111.9	L272 G273 K274 D276	D270-L272 PolarHBondContact O-N 3.45Å; D270-L272 VanDerWaalsContact O-N 3.14Å; D270-L272 VanDerWaalsContact OD1-C 3.32Å; D270-L272 VanDerWaalsContact OD1-CA 3.3Å; D270-L272 WeakPolarHBondContact OD1-CA 3.38Å; D270-L272 WeakPolarHBondContact OD1-CB 3.27Å; D270-L272 PolarHBondContact OD1-N 3.15Å; D270-G273 PolarHBondContact O-N 3.41Å; D270-G273 PolarHBondContact OD1-N 3.26Å; D270-K274 PolarHBondContact N-O 2.86Å; D270-K274 PolarHBondContact OD1-N 3.48Å; D270-D276 HydrophobicContact CB-CB 4.31Å
271	S	85.9	Confident	91.5	Very high	124 Å²	124	56.7 Å²	56.7	87%	0.867	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.8	178.9	53.7	0	0	0	0	114.3
272	L	86.1	Confident	91.9	Very high	135 Å²	135	55.4 Å²	55.4	71%	0.707	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	4.2	175.7	-57.3	177.3	0	0	0	111.9	D270 K274	D270-L272 PolarHBondContact O-N 3.45Å; D270-L272 VanDerWaalsContact O-N 3.14Å; D270-L272 VanDerWaalsContact OD1-C 3.32Å; D270-L272 VanDerWaalsContact OD1-CA 3.3Å; D270-L272 WeakPolarHBondContact OD1-CA 3.38Å; D270-L272 WeakPolarHBondContact OD1-CB 3.27Å; D270-L272 PolarHBondContact OD1-N 3.15Å; L272-K274 VanDerWaalsContact C-N 3.32Å
273	G	86.3	Confident	92.3	Very high	44 Å²	44	57.1 Å²	57.1	45%	0.454	31%	0.309	S	S	.	.	S	Bend	trans	79.3	10.1	-178.6	0	0	0	0	0	114.3	N269 D270	N269-G273 PolarHBondContact ND2-O 3.49Å; D270-G273 PolarHBondContact O-N 3.41Å; D270-G273 PolarHBondContact OD1-N 3.26Å
274	K	90.8	Very high	92.5	Very high	139 Å²	139	63.9 Å²	63.9	60%	0.604	34%	0.339	S	S	*	.			trans	-92.5	143.1	179.7	-63.7	-177.3	179.2	178.9	0	111.2	N269 D270 L272 D276	N269-K274 CarbonylContact C-O 3.59Å; N269-K274 WeakPolarHBondContact CA-O 3.47Å; D270-K274 PolarHBondContact N-O 2.86Å; D270-K274 PolarHBondContact OD1-N 3.48Å; L272-K274 VanDerWaalsContact C-N 3.32Å; K274-D276 PolarHBondContact O-N 3.26Å
275	L	94.6	Very high	92.6	Very high	34 Å²	34	66.9 Å²	66.9	18%	0.178	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-58.9	123.7	178.1	-175.7	68.3	0	0	0	111.6	I268 N269 L280 T393 A396 L397 L400	I268-L275 HydrophobicContact CB-CD1 3.96Å; I268-L275 HydrophobicContact CD1-CD1 3.53Å; I268-L275 HydrophobicContact CG1-CD1 3.7Å; N269-L275 VanDerWaalsContact OD1-CA 3.3Å; N269-L275 WeakPolarHBondContact OD1-CA 3.49Å; N269-L275 PolarHBondContact OD1-N 3.49Å; L275-L280 HydrophobicContact CD1-CD1 4.23Å; L275-L280 HydrophobicContact CD2-CD1 4.48Å; L275-L280 HydrophobicContact CG-CD1 4.49Å; L275-T393 HydrophobicContact CD1-CG2 4.4Å; L275-A396 HydrophobicContact CB-CB 4.14Å; L275-A396 HydrophobicContact CD2-CB 4.21Å; L275-L397 VanDerWaalsContact CD2-CA 3.45Å; L275-L397 HydrophobicContact CD2-CB 3.98Å; L275-L397 HydrophobicContact CD2-CD1 4.19Å; L275-L400 HydrophobicContact CD2-CB 4.15Å; L275-L400 HydrophobicContact CD2-CD2 3.57Å; L275-L400 HydrophobicContact CG-CD2 4.24Å
276	D	93.8	Very high	92.8	Very high	42 Å²	42	65.1 Å²	65.1	23%	0.225	36%	0.359	C	S	.	.			trans	-105.2	106.8	-177.1	-179.2	-2	0	0	0	110.8	I268 D270 K274 S278 R279	I268-D276 PolarHBondContact O-N 3.23Å; D270-D276 HydrophobicContact CB-CB 4.31Å; K274-D276 PolarHBondContact O-N 3.26Å; D276-S278 PolarHBondContact O-N 3.12Å; D276-S278 VanDerWaalsContact OD1-CB 3.3Å; D276-S278 WeakPolarHBondContact OD1-CB 3.44Å; D276-S278 PolarHBondContact OD1-N 2.77Å; D276-S278 PolarHBondContact OD1-OG 3.3Å; D276-S278 PolarHBondContact OD2-OG 2.8Å; D276-S278 VanDerWaalsContact OD2-OG 3.14Å; D276-R279 HydrophobicContact CB-CB 4.39Å; D276-R279 HydrophobicContact CB-CG 4.03Å; D276-R279 WeakPolarHBondContact O-CB 3.44Å; D276-R279 PolarHBondContact O-N 3.14Å; D276-R279 VanDerWaalsContact O-N 3.1Å; D276-R279 WeakPolarHBondContact OD2-CG 3.38Å; D276-R279 IonicContact OD2-NE 2.82Å; D276-R279 PolarHBondContact OD2-NE 3.26Å
277	F	95.4	Very high	92.9	Very high	64 Å²	64	65.9 Å²	65.9	28%	0.281	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-31.7	178.6	172.5	-112	0	0	0	112.9	L225 F229 R279 L280 S281 L400 L404	L225-F277 HydrophobicContact CD2-CE2 3.97Å; L225-F277 HydrophobicContact CD2-CZ 3.62Å; F229-F277 HydrophobicContact CE1-CE2 4.3Å; F277-R279 PolarHBondContact O-N 2.86Å; F277-L280 PolarHBondContact O-N 3.24Å; F277-S281 PolarHBondContact O-N 3.26Å; F277-L400 HydrophobicContact CB-CD1 4.39Å; F277-L400 HydrophobicContact CB-CD2 4.29Å; F277-L400 HydrophobicContact CD2-CD1 4.21Å; F277-L400 HydrophobicContact CD2-CD2 4.18Å; F277-L400 HydrophobicContact CG-CD1 4.49Å; F277-L404 HydrophobicContact CD2-CD1 4.01Å; F277-L404 HydrophobicContact CD2-CD2 4.45Å; F277-L404 HydrophobicContact CE2-CD1 3.61Å; F277-L404 HydrophobicContact CE2-CD2 3.83Å; F277-L404 HydrophobicContact CE2-CG 4.37Å; F277-L404 HydrophobicContact CZ-CD2 3.98Å
278	S	94.5	Very high	93	Very high	69 Å²	69	70 Å²	70	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-23.7	179.3	76.9	0	0	0	0	112	D276 P282	D276-S278 PolarHBondContact O-N 3.12Å; D276-S278 VanDerWaalsContact OD1-CB 3.3Å; D276-S278 WeakPolarHBondContact OD1-CB 3.44Å; D276-S278 PolarHBondContact OD1-N 2.77Å; D276-S278 PolarHBondContact OD1-OG 3.3Å; D276-S278 PolarHBondContact OD2-OG 2.8Å; D276-S278 VanDerWaalsContact OD2-OG 3.14Å; S278-P282 WeakPolarHBondContact O-CA 3.33Å; S278-P282 WeakPolarHBondContact O-CB 3.3Å
279	R	94.6	Very high	92.7	Very high	59 Å²	59	71.1 Å²	71.1	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-76.1	-34.8	172.9	-70.4	-179.7	-178.8	-130.6	4.9	112.6	D267 N269 D276 F277 R295	D267-R279 IonicContact OD1-NH1 2.9Å; D267-R279 PolarHBondContact OD1-NH1 2.91Å; D267-R279 IonicContact OD2-CZ 3.66Å; D267-R279 IonicContact OD2-NH1 2.65Å; D267-R279 PolarHBondContact OD2-NH1 3.47Å; D267-R279 IonicContact OD2-NH2 3.93Å; N269-R279 VanDerWaalsContact O-CZ 3.28Å; N269-R279 PolarHBondContact O-NE 2.97Å; N269-R279 PolarHBondContact O-NH1 2.7Å; D276-R279 HydrophobicContact CB-CB 4.39Å; D276-R279 HydrophobicContact CB-CG 4.03Å; D276-R279 WeakPolarHBondContact O-CB 3.44Å; D276-R279 PolarHBondContact O-N 3.14Å; D276-R279 VanDerWaalsContact O-N 3.1Å; D276-R279 WeakPolarHBondContact OD2-CG 3.38Å; D276-R279 IonicContact OD2-NE 2.82Å; D276-R279 PolarHBondContact OD2-NE 3.26Å; F277-R279 PolarHBondContact O-N 2.86Å; R279-R295 WeakPolarHBondContact O-CD 3.21Å; R279-R295 PolarHBondContact O-NH1 2.96Å
280	L	96	Very high	92.4	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-75.7	-45.7	-179.6	-59.5	-174.5	0	0	0	111.4	F229 I268 L275 F277 P282 R295 L397 L400	F229-L280 WeakPolarHBondContact CB-O 3.45Å; F229-L280 HydrophobicContact CD2-CB 3.82Å; F229-L280 HydrophobicContact CE2-CB 3.78Å; F229-L280 HydrophobicContact CE2-CD1 3.81Å; F229-L280 HydrophobicContact CE2-CG 4.27Å; F229-L280 HydrophobicContact CG-CB 4.24Å; F229-L280 HydrophobicContact CZ-CB 4.17Å; F229-L280 HydrophobicContact CZ-CD1 4.14Å; I268-L280 HydrophobicContact CB-CD2 3.9Å; I268-L280 HydrophobicContact CG2-CD2 3.51Å; L275-L280 HydrophobicContact CD1-CD1 4.23Å; L275-L280 HydrophobicContact CD2-CD1 4.48Å; L275-L280 HydrophobicContact CG-CD1 4.49Å; F277-L280 PolarHBondContact O-N 3.24Å; L280-P282 VanDerWaalsContact C-CD 3.45Å; L280-P282 WeakPolarHBondContact O-CD 3.23Å; L280-R295 HydrophobicContact CD2-CB 4.46Å; L280-L397 HydrophobicContact CD1-CD1 3.86Å; L280-L400 HydrophobicContact CD1-CD2 3.67Å
281	S	96.6	Very high	92.6	Very high	18 Å²	18	72 Å²	72	13%	0.126	38%	0.382	C	S	.	.	S	Bend	trans	-121.4	71.3	178	-179.3	0	0	0	0	110.8	E226 F277	E226-S281 PolarHBondContact N-OG 2.84Å; F277-S281 PolarHBondContact O-N 3.26Å
282	P	96	Very high	93	Very high	6 Å²	6	66.2 Å²	66.2	4%	0.039	34%	0.342	C	S	.	.			trans	-69.4	156.1	-172	29.5	-37.5	0	0	0	114	W218 E226 S278 L280 D286 Y287	W218-P282 PolarHBondContact NE1-O 3.5Å; E226-P282 HydrophobicContact CG-CG 4.48Å; S278-P282 WeakPolarHBondContact O-CA 3.33Å; S278-P282 WeakPolarHBondContact O-CB 3.3Å; L280-P282 VanDerWaalsContact C-CD 3.45Å; L280-P282 WeakPolarHBondContact O-CD 3.23Å; P282-D286 HydrophobicContact CB-CB 4.28Å; P282-Y287 HydrophobicContact CG-CD2 4.03Å
283	S	95.8	Very high	93.2	Very high	54 Å²	54	61.3 Å²	61.3	38%	0.378	32%	0.315	S	S	.	.			trans	-63.6	164.6	169.5	90.9	0	0	0	0	110.9	N285 D286 Y287	S283-N285 PolarHBondContact O-N 2.95Å; S283-N285 PolarHBondContact OG-N 3.43Å; S283-D286 PolarHBondContact O-N 2.81Å; S283-D286 PolarHBondContact OG-N 2.69Å; S283-D286 PolarHBondContact OG-OD2 2.94Å; S283-Y287 PolarHBondContact O-N 3.25Å; S283-Y287 VanDerWaalsContact O-N 3.16Å
284	K	95.3	Very high	93.6	Very high	143 Å²	143	59.8 Å²	59.8	62%	0.622	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.6	177	-172.4	177.1	178.8	-177.4	0	112.8	W218	W218-K284 HydrophobicContact CB-CG 4.42Å; W218-K284 HydrophobicContact CD2-CB 3.62Å; W218-K284 HydrophobicContact CD2-CD 4.44Å; W218-K284 HydrophobicContact CD2-CG 3.79Å; W218-K284 HydrophobicContact CE3-CB 3.77Å; W218-K284 HydrophobicContact CE3-CD 3.81Å; W218-K284 HydrophobicContact CE3-CG 3.68Å; W218-K284 HydrophobicContact CG-CB 4.18Å; W218-K284 HydrophobicContact CG-CG 4.14Å; W218-K284 HydrophobicContact CH2-CB 4.11Å; W218-K284 HydrophobicContact CZ2-CB 3.99Å; W218-K284 HydrophobicContact CZ3-CB 4.01Å; W218-K284 HydrophobicContact CZ3-CD 4.04Å; W218-K284 HydrophobicContact CZ3-CG 4.22Å
285	N	94.1	Very high	93.9	Very high	151 Å²	151	54.2 Å²	54.2	81%	0.807	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-27.4	-175.7	-65	-18.1	0	0	0	112.3	S283	S283-N285 PolarHBondContact O-N 2.95Å; S283-N285 PolarHBondContact OG-N 3.43Å
286	D	93.3	Very high	94	Very high	115 Å²	115	52.7 Å²	52.7	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	0.1	-177.8	-48.7	-55.4	0	0	0	112.3	P282 S283 W288	P282-D286 HydrophobicContact CB-CB 4.28Å; S283-D286 PolarHBondContact O-N 2.81Å; S283-D286 PolarHBondContact OG-N 2.69Å; S283-D286 PolarHBondContact OG-OD2 2.94Å; D286-W288 PolarHBondContact O-N 3.05Å
287	Y	94.5	Very high	94.1	Very high	38 Å²	38	50.8 Å²	50.8	15%	0.149	25%	0.253	C	S	.	.			trans	-77.7	124.6	-175	179.2	-99.9	0	0	0	112.3	L216 W218 E226 P282 S283 A289 A292	L216-Y287 WeakPolarHBondContact O-CE1 2.96Å; L216-Y287 PolarHBondContact O-OH 3.29Å; W218-Y287 HydrophobicContact CB-CD1 3.56Å; W218-Y287 HydrophobicContact CB-CD2 4.46Å; W218-Y287 HydrophobicContact CB-CE1 3.98Å; W218-Y287 HydrophobicContact CB-CG 3.8Å; W218-Y287 VanDerWaalsContact CD1-CB 3.46Å; W218-Y287 AromaticContact CD1-CD2 3.68Å; W218-Y287 AromaticContact CD1-CG 3.52Å; W218-Y287 HydrophobicContact CG-CD1 4.31Å; W218-Y287 HydrophobicContact CG-CD2 4.48Å; W218-Y287 HydrophobicContact CG-CG 4.04Å; E226-Y287 HydrophobicContact CG-CD2 4.14Å; E226-Y287 HydrophobicContact CG-CE2 4.03Å; E226-Y287 WeakPolarHBondContact OE1-CE2 3.32Å; P282-Y287 HydrophobicContact CG-CD2 4.03Å; S283-Y287 PolarHBondContact O-N 3.25Å; S283-Y287 VanDerWaalsContact O-N 3.16Å; Y287-A289 HydrophobicContact CE1-CB 3.8Å; Y287-A289 WeakPolarHBondContact OH-CA 3.33Å; Y287-A292 HydrophobicContact CD2-CB 4.1Å; Y287-A292 HydrophobicContact CE2-CB 3.54Å
288	W	92.4	Very high	94.2	Very high	158 Å²	158	47.8 Å²	47.8	60%	0.598	24%	0.24	S	C	*	.			trans	-128.8	118.6	164.5	-179.6	46	0	0	0	109.5	D286 M290 L291 A292	D286-W288 PolarHBondContact O-N 3.05Å; W288-M290 VanDerWaalsContact C-N 3.28Å; W288-M290 HydrophobicContact CD2-CB 4.22Å; W288-M290 HydrophobicContact CH2-CB 3.97Å; W288-M290 HydrophobicContact CZ2-CB 3.62Å; W288-M290 HydrophobicContact CZ2-CG 4.08Å; W288-M290 HydrophobicContact CZ3-CB 4.45Å; W288-M290 PolarHBondContact O-N 3.45Å; W288-L291 HydrophobicContact CB-CB 4.33Å; W288-L291 HydrophobicContact CD2-CB 4.1Å; W288-L291 HydrophobicContact CE3-CB 3.33Å; W288-L291 HydrophobicContact CE3-CD2 4.18Å; W288-L291 HydrophobicContact CE3-CG 4.32Å; W288-L291 HydrophobicContact CZ3-CB 3.87Å; W288-L291 PolarHBondContact O-N 2.94Å; W288-A292 PolarHBondContact O-N 2.74Å
289	A	88	Confident	94.4	Very high	23 Å²	23	44.5 Å²	44.5	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-38	-168.3	0	0	0	0	0	113.9	Y287 Y293	Y287-A289 HydrophobicContact CE1-CB 3.8Å; Y287-A289 WeakPolarHBondContact OH-CA 3.33Å; A289-Y293 WeakPolarHBondContact O-CB 3.47Å; A289-Y293 PolarHBondContact O-N 3.25Å; A289-Y293 VanDerWaalsContact O-N 3.12Å
290	M	87.9	Confident	94.6	Very high	59 Å²	59	41.7 Å²	41.7	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-66.8	-42.7	176.7	-73.3	-60.9	-54.5	0	0	111.8	F214 W288 Y293 N294	F214-M290 HydrophobicContact CE2-CE 4.11Å; F214-M290 HydrophobicContact CE2-SD 3.44Å; F214-M290 WeakPolarHBondContact CE2-SD 3.34Å; F214-M290 HydrophobicContact CZ-CE 4.2Å; F214-M290 HydrophobicContact CZ-SD 3.54Å; F214-M290 VanDerWaalsContact CZ-SD 3.54Å; W288-M290 VanDerWaalsContact C-N 3.28Å; W288-M290 HydrophobicContact CD2-CB 4.22Å; W288-M290 HydrophobicContact CH2-CB 3.97Å; W288-M290 HydrophobicContact CZ2-CB 3.62Å; W288-M290 HydrophobicContact CZ2-CG 4.08Å; W288-M290 HydrophobicContact CZ3-CB 4.45Å; W288-M290 PolarHBondContact O-N 3.45Å; M290-Y293 WeakPolarHBondContact O-CB 3.44Å; M290-Y293 PolarHBondContact O-N 3.28Å; M290-N294 PolarHBondContact O-N 2.87Å; M290-N294 PolarHBondContact O-OD1 2.69Å; M290-N294 VanDerWaalsContact O-OD1 3.09Å
291	L	92.9	Very high	94.8	Very high	34 Å²	34	41.6 Å²	41.6	18%	0.178	21%	0.206	C	C	.	.	H	α-helix	trans	-71	-40.7	-179.9	-176.8	62.1	0	0	0	112.1	T266 W288 Y293 N294 R295	T266-L291 WeakPolarHBondContact OG1-CD1 3.48Å; W288-L291 HydrophobicContact CB-CB 4.33Å; W288-L291 HydrophobicContact CD2-CB 4.1Å; W288-L291 HydrophobicContact CE3-CB 3.33Å; W288-L291 HydrophobicContact CE3-CD2 4.18Å; W288-L291 HydrophobicContact CE3-CG 4.32Å; W288-L291 HydrophobicContact CZ3-CB 3.87Å; W288-L291 PolarHBondContact O-N 2.94Å; L291-Y293 PolarHBondContact O-N 2.89Å; L291-N294 PolarHBondContact O-N 2.97Å; L291-R295 HydrophobicContact CD1-CG 4.42Å; L291-R295 WeakPolarHBondContact O-CB 3.47Å; L291-R295 VanDerWaalsContact O-CG 3.3Å; L291-R295 WeakPolarHBondContact O-CG 3.32Å; L291-R295 PolarHBondContact O-N 3.41Å
292	A	93.8	Very high	94.9	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-56.8	-42.2	172.2	0	0	0	0	0	111.3	Y287 W288 S296	Y287-A292 HydrophobicContact CD2-CB 4.1Å; Y287-A292 HydrophobicContact CE2-CB 3.54Å; W288-A292 PolarHBondContact O-N 2.74Å; A292-S296 WeakPolarHBondContact O-CB 3.44Å; A292-S296 PolarHBondContact O-N 3.01Å
293	Y	91.4	Very high	95	Very high	32 Å²	32	40.7 Å²	40.7	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-49.2	174.1	-176.5	-106.3	0	0	0	112.6	A213 F214 T228 A289 M290 L291 R295 S296 K297	A213-Y293 WeakPolarHBondContact O-CD2 3.48Å; F214-Y293 HydrophobicContact CB-CD2 3.75Å; F214-Y293 HydrophobicContact CB-CE2 3.73Å; F214-Y293 HydrophobicContact CB-CG 4.44Å; F214-Y293 AromaticContact CD2-CD1 3.6Å; F214-Y293 HydrophobicContact CD2-CD1 3.6Å; F214-Y293 AromaticContact CD2-CD2 3.48Å; F214-Y293 HydrophobicContact CD2-CD2 3.48Å; F214-Y293 VanDerWaalsContact CD2-CD2 3.48Å; F214-Y293 HydrophobicContact CD2-CE1 4.04Å; F214-Y293 AromaticContact CD2-CE2 3.93Å; F214-Y293 HydrophobicContact CD2-CE2 3.93Å; F214-Y293 AromaticContact CD2-CG 3.28Å; F214-Y293 HydrophobicContact CD2-CG 3.28Å; F214-Y293 AromaticContact CE2-CD1 3.7Å; F214-Y293 HydrophobicContact CE2-CD1 3.7Å; F214-Y293 HydrophobicContact CE2-CD2 4.4Å; F214-Y293 HydrophobicContact CE2-CE1 4.2Å; F214-Y293 AromaticContact CE2-CG 3.8Å; F214-Y293 HydrophobicContact CE2-CG 3.8Å; F214-Y293 AromaticContact CG-CD2 3.97Å; F214-Y293 HydrophobicContact CG-CD2 3.97Å; F214-Y293 HydrophobicContact CG-CE2 4.04Å; F214-Y293 HydrophobicContact CG-CG 4.2Å; T228-Y293 HydrophobicContact CG2-CD2 4.37Å; A289-Y293 WeakPolarHBondContact O-CB 3.47Å; A289-Y293 PolarHBondContact O-N 3.25Å; A289-Y293 VanDerWaalsContact O-N 3.12Å; M290-Y293 WeakPolarHBondContact O-CB 3.44Å; M290-Y293 PolarHBondContact O-N 3.28Å; L291-Y293 PolarHBondContact O-N 2.89Å; Y293-R295 VanDerWaalsContact C-N 3.33Å; Y293-R295 PolarHBondContact O-N 3.39Å; Y293-S296 WeakPolarHBondContact O-CB 3.29Å; Y293-S296 PolarHBondContact O-N 3.27Å; Y293-S296 VanDerWaalsContact O-N 3.12Å; Y293-S296 PolarHBondContact O-OG 2.94Å; Y293-K297 HydrophobicContact CD1-CG 4.26Å; Y293-K297 HydrophobicContact CD2-CG 4.47Å; Y293-K297 HydrophobicContact CE1-CG 3.91Å; Y293-K297 HydrophobicContact CE2-CD 4.3Å; Y293-K297 HydrophobicContact CE2-CG 4.14Å; Y293-K297 WeakPolarHBondContact O-CG 3.4Å; Y293-K297 PolarHBondContact O-N 3.27Å; Y293-K297 WeakPolarHBondContact OH-CE 3.23Å
294	N	93	Very high	95.1	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.059	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-46.8	178.3	-66	-1.6	0	0	0	111.6	S262 F265 T266 M290 L291 S296 K297 L298	S262-N294 WeakPolarHBondContact CB-OD1 3.37Å; S262-N294 WeakPolarHBondContact O-CB 3.35Å; S262-N294 VanDerWaalsContact O-CG 3.29Å; S262-N294 PolarHBondContact OG-OD1 3.37Å; F265-N294 PolarHBondContact O-ND2 3.13Å; T266-N294 HydrophobicContact CG2-CB 4.03Å; M290-N294 PolarHBondContact O-N 2.87Å; M290-N294 PolarHBondContact O-OD1 2.69Å; M290-N294 VanDerWaalsContact O-OD1 3.09Å; L291-N294 PolarHBondContact O-N 2.97Å; N294-S296 VanDerWaalsContact C-N 3.33Å; N294-S296 PolarHBondContact O-N 3.39Å; N294-K297 PolarHBondContact O-N 2.89Å; N294-K297 VanDerWaalsContact O-N 3.1Å; N294-L298 PolarHBondContact O-N 3.43Å
295	R	97.2	Very high	95.3	Very high	23 Å²	23	33 Å²	33	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-57.8	-44.9	175.3	-71.5	-178.9	174.7	153	1.3	111.7	T266 D267 I268 R279 L280 L291 Y293 K297 L298 C299	T266-R295 HydrophobicContact CG2-CG 4.37Å; T266-R295 WeakPolarHBondContact OG1-CG 3.32Å; D267-R295 PolarHBondContact O-NE 3.1Å; D267-R295 IonicContact OD1-NH2 2.75Å; I268-R295 HydrophobicContact CG2-CB 3.92Å; I268-R295 HydrophobicContact CG2-CG 3.77Å; R279-R295 WeakPolarHBondContact O-CD 3.21Å; R279-R295 PolarHBondContact O-NH1 2.96Å; L280-R295 HydrophobicContact CD2-CB 4.46Å; L291-R295 HydrophobicContact CD1-CG 4.42Å; L291-R295 WeakPolarHBondContact O-CB 3.47Å; L291-R295 VanDerWaalsContact O-CG 3.3Å; L291-R295 WeakPolarHBondContact O-CG 3.32Å; L291-R295 PolarHBondContact O-N 3.41Å; Y293-R295 VanDerWaalsContact C-N 3.33Å; Y293-R295 PolarHBondContact O-N 3.39Å; R295-K297 VanDerWaalsContact C-N 3.28Å; R295-K297 PolarHBondContact O-N 3.1Å; R295-L298 PolarHBondContact O-N 3.41Å; R295-C299 PolarHBondContact O-N 3.33Å; R295-C299 PolarHBondContact O-SG 3.43Å
296	S	96.9	Very high	95.5	Very high	1 Å²	1	26 Å²	26	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-34.3	176.9	80.8	0	0	0	0	112.9	N232 A292 Y293 N294 C299 N300	N232-S296 PolarHBondContact ND2-OG 3.23Å; A292-S296 WeakPolarHBondContact O-CB 3.44Å; A292-S296 PolarHBondContact O-N 3.01Å; Y293-S296 WeakPolarHBondContact O-CB 3.29Å; Y293-S296 PolarHBondContact O-N 3.27Å; Y293-S296 VanDerWaalsContact O-N 3.12Å; Y293-S296 PolarHBondContact O-OG 2.94Å; N294-S296 VanDerWaalsContact C-N 3.33Å; N294-S296 PolarHBondContact O-N 3.39Å; S296-C299 WeakPolarHBondContact O-CB 3.4Å; S296-C299 PolarHBondContact O-N 3.3Å; S296-N300 PolarHBondContact O-N 3.16Å; S296-N300 VanDerWaalsContact O-N 3.1Å; S296-N300 PolarHBondContact O-OD1 3.22Å
297	K	96.8	Very high	95.8	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-77.1	-31.5	178.1	-64.3	-57.6	-176.3	-177.1	0	112.7	V258 S259 H263 Y293 N294 R295 N300 V301	V258-K297 PolarHBondContact O-NZ 3.18Å; S259-K297 PolarHBondContact OG-O 3.35Å; H263-K297 HydrophobicContact CB-CB 4.23Å; Y293-K297 HydrophobicContact CD1-CG 4.26Å; Y293-K297 HydrophobicContact CD2-CG 4.47Å; Y293-K297 HydrophobicContact CE1-CG 3.91Å; Y293-K297 HydrophobicContact CE2-CD 4.3Å; Y293-K297 HydrophobicContact CE2-CG 4.14Å; Y293-K297 WeakPolarHBondContact O-CG 3.4Å; Y293-K297 PolarHBondContact O-N 3.27Å; Y293-K297 WeakPolarHBondContact OH-CE 3.23Å; N294-K297 PolarHBondContact O-N 2.89Å; N294-K297 VanDerWaalsContact O-N 3.1Å; R295-K297 VanDerWaalsContact C-N 3.28Å; R295-K297 PolarHBondContact O-N 3.1Å; K297-N300 PolarHBondContact O-N 3.25Å; K297-V301 PolarHBondContact O-N 3.18Å
298	L	98.3	Very high	96	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-45.5	166.3	177.3	58	0	0	0	111.5	H263 T266 I268 N294 R295 N300 V301 L302 E387 A388	H263-L298 HydrophobicContact CB-CB 4.2Å; T266-L298 HydrophobicContact CG2-CB 3.9Å; T266-L298 HydrophobicContact CG2-CD2 3.78Å; T266-L298 HydrophobicContact CG2-CG 4.48Å; I268-L298 HydrophobicContact CD1-CD2 4.15Å; I268-L298 HydrophobicContact CD1-CG 4.34Å; I268-L298 HydrophobicContact CG1-CD2 3.97Å; I268-L298 HydrophobicContact CG2-CD2 4.05Å; N294-L298 PolarHBondContact O-N 3.43Å; R295-L298 PolarHBondContact O-N 3.41Å; L298-N300 PolarHBondContact O-N 3.16Å; L298-V301 PolarHBondContact O-N 2.89Å; L298-V301 VanDerWaalsContact O-N 3.1Å; L298-L302 HydrophobicContact CD1-CD1 4.26Å; L298-L302 HydrophobicContact CD1-CG 4.39Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 PolarHBondContact O-N 3.4Å; L298-L302 VanDerWaalsContact O-N 3.13Å; L298-E387 HydrophobicContact CD2-CG 4.08Å; L298-A388 HydrophobicContact CD1-CB 3.52Å
299	C	98.7	Very high	96.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.7	-40.8	175.2	-66.6	0	0	0	0	111.9	H233 R295 S296 V301 L302 F303 L397	H233-C299 HydrophobicContact CB-CB 3.99Å; H233-C299 WeakPolarHBondContact ND1-CB 3.5Å; R295-C299 PolarHBondContact O-N 3.33Å; R295-C299 PolarHBondContact O-SG 3.43Å; S296-C299 WeakPolarHBondContact O-CB 3.4Å; S296-C299 PolarHBondContact O-N 3.3Å; C299-V301 PolarHBondContact O-N 3.11Å; C299-L302 PolarHBondContact O-N 2.93Å; C299-F303 WeakPolarHBondContact O-CB 3.35Å; C299-F303 PolarHBondContact O-N 2.81Å; C299-L397 HydrophobicContact CB-CD2 3.76Å
300	N	98.8	Very high	96.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-37.2	177.4	-77	8	0	0	0	113.8	N232 V257 V258 S296 K297 L298 S304	N232-N300 PolarHBondContact O-ND2 3.28Å; N232-N300 PolarHBondContact O-OD1 3.36Å; N232-N300 VanDerWaalsContact O-OD1 3.05Å; V257-N300 HydrophobicContact CG1-CB 3.68Å; V258-N300 PolarHBondContact O-ND2 2.88Å; S296-N300 PolarHBondContact O-N 3.16Å; S296-N300 VanDerWaalsContact O-N 3.1Å; S296-N300 PolarHBondContact O-OD1 3.22Å; K297-N300 PolarHBondContact O-N 3.25Å; L298-N300 PolarHBondContact O-N 3.16Å; N300-S304 WeakPolarHBondContact O-CB 3.23Å; N300-S304 PolarHBondContact O-N 2.73Å
301	V	98.7	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70	-48.6	177	-175.5	0	0	0	0	110.4	S259 H263 K297 L298 C299 F303 S304 N305 A320 Y375 P384 A388	S259-V301 VanDerWaalsContact OG-CG2 3.27Å; S259-V301 WeakPolarHBondContact OG-CG2 3.44Å; H263-V301 HydrophobicContact CB-CG2 4.5Å; K297-V301 PolarHBondContact O-N 3.18Å; L298-V301 PolarHBondContact O-N 2.89Å; L298-V301 VanDerWaalsContact O-N 3.1Å; C299-V301 PolarHBondContact O-N 3.11Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.15Å; V301-S304 PolarHBondContact O-N 2.89Å; V301-N305 PolarHBondContact O-N 3.08Å; V301-A320 HydrophobicContact CB-CB 4.4Å; V301-A320 HydrophobicContact CG1-CB 4.3Å; V301-A320 HydrophobicContact CG2-CB 4.22Å; V301-Y375 HydrophobicContact CG2-CD2 4.07Å; V301-Y375 HydrophobicContact CG2-CE2 4.25Å; V301-P384 HydrophobicContact CG1-CB 4.03Å; V301-P384 HydrophobicContact CG1-CG 4.29Å; V301-A388 HydrophobicContact CB-CB 4.14Å; V301-A388 HydrophobicContact CG1-CB 3.84Å
302	L	98.8	Very high	97.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-45.4	176.9	-70.8	167.6	0	0	0	111.5	I268 L298 C299 N305 E306 T393 A394 L397	I268-L302 HydrophobicContact CD1-CD1 3.53Å; L298-L302 HydrophobicContact CD1-CD1 4.26Å; L298-L302 HydrophobicContact CD1-CG 4.39Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 PolarHBondContact O-N 3.4Å; L298-L302 VanDerWaalsContact O-N 3.13Å; C299-L302 PolarHBondContact O-N 2.93Å; L302-N305 PolarHBondContact O-N 3.13Å; L302-E306 WeakPolarHBondContact O-CB 3.33Å; L302-E306 PolarHBondContact O-N 2.9Å; L302-T393 HydrophobicContact CD1-CG2 3.8Å; L302-T393 HydrophobicContact CD2-CG2 4.5Å; L302-A394 HydrophobicContact CB-CB 4.16Å; L302-A394 HydrophobicContact CD2-CB 3.87Å; L302-L397 HydrophobicContact CB-CD2 3.85Å; L302-L397 HydrophobicContact CD1-CD2 4.13Å
303	F	98.8	Very high	97.6	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.013	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-49.2	176.1	170.5	-125.7	0	0	0	112	F237 V240 V257 C299 V301 N305 E306 L307 W398	F237-F303 HydrophobicContact CB-CE2 4.37Å; F237-F303 AromaticContact CD2-CD2 3.54Å; F237-F303 HydrophobicContact CD2-CD2 3.54Å; F237-F303 AromaticContact CD2-CE2 3.46Å; F237-F303 HydrophobicContact CD2-CE2 3.46Å; F237-F303 VanDerWaalsContact CD2-CE2 3.46Å; F237-F303 HydrophobicContact CD2-CG 4.5Å; F237-F303 HydrophobicContact CD2-CZ 4.38Å; F237-F303 HydrophobicContact CE2-CD2 4.15Å; F237-F303 HydrophobicContact CE2-CE2 4.08Å; F237-F303 HydrophobicContact CG-CE2 4.24Å; V240-F303 HydrophobicContact CB-CZ 3.88Å; V240-F303 HydrophobicContact CG1-CZ 4.11Å; V240-F303 HydrophobicContact CG2-CE1 4.17Å; V240-F303 HydrophobicContact CG2-CZ 3.8Å; V257-F303 HydrophobicContact CG1-CD1 4.15Å; V257-F303 HydrophobicContact CG2-CD1 4.02Å; V257-F303 HydrophobicContact CG2-CE1 4.03Å; C299-F303 WeakPolarHBondContact O-CB 3.35Å; C299-F303 PolarHBondContact O-N 2.81Å; V301-F303 VanDerWaalsContact C-N 3.31Å; V301-F303 PolarHBondContact O-N 3.15Å; F303-N305 VanDerWaalsContact C-N 3.33Å; F303-N305 PolarHBondContact O-N 3.35Å; F303-E306 PolarHBondContact O-N 3.25Å; F303-L307 HydrophobicContact CE1-CD2 4.39Å; F303-L307 HydrophobicContact CE2-CB 4.29Å; F303-L307 HydrophobicContact CE2-CD2 4.39Å; F303-L307 HydrophobicContact CZ-CD2 3.96Å; F303-L307 WeakPolarHBondContact O-CB 3.48Å; F303-L307 PolarHBondContact O-N 3.06Å; F303-W398 HydrophobicContact CD2-CE3 4.25Å; F303-W398 AromaticContact CD2-CZ3 3.95Å; F303-W398 HydrophobicContact CD2-CZ3 3.95Å; F303-W398 HydrophobicContact CE2-CE3 4.45Å; F303-W398 HydrophobicContact CE2-CH2 4.38Å; F303-W398 AromaticContact CE2-CZ3 3.79Å; F303-W398 HydrophobicContact CE2-CZ3 3.79Å
304	S	98.8	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.9	-42.4	179.7	178.8	0	0	0	0	112.4	N300 V301 L307 H308 S318 N319 A320	N300-S304 WeakPolarHBondContact O-CB 3.23Å; N300-S304 PolarHBondContact O-N 2.73Å; V301-S304 PolarHBondContact O-N 2.89Å; S304-L307 PolarHBondContact O-N 2.96Å; S304-H308 PolarHBondContact O-N 3.2Å; S304-S318 WeakPolarHBondContact CA-OG 3.1Å; S304-S318 WeakPolarHBondContact O-CB 3.23Å; S304-S318 PolarHBondContact O-OG 3.05Å; S304-S318 PolarHBondContact OG-OG 3.38Å; S304-N319 WeakPolarHBondContact OG-CA 3.45Å; S304-N319 PolarHBondContact OG-N 3.06Å; S304-A320 PolarHBondContact OG-N 3.19Å
305	N	98.4	Very high	98	Very high	35 Å²	35	29.8 Å²	29.8	19%	0.187	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-46.2	-179.4	-70.5	-9.9	0	0	0	111.2	V301 L302 F303 H308 R309 G373 A388	V301-N305 PolarHBondContact O-N 3.08Å; L302-N305 PolarHBondContact O-N 3.13Å; F303-N305 VanDerWaalsContact C-N 3.33Å; F303-N305 PolarHBondContact O-N 3.35Å; N305-H308 PolarHBondContact O-N 2.72Å; N305-R309 PolarHBondContact O-N 3.43Å; N305-G373 PolarHBondContact OD1-O 3.4Å; N305-A388 PolarHBondContact ND2-O 3.37Å
306	E	98.8	Very high	98.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-66.7	-38.2	177.3	179.9	66.2	-179.7	0	0	112.2	L302 F303 R309 R310 A394 W398	L302-E306 WeakPolarHBondContact O-CB 3.33Å; L302-E306 PolarHBondContact O-N 2.9Å; F303-E306 PolarHBondContact O-N 3.25Å; E306-R309 PolarHBondContact O-N 3.39Å; E306-R309 IonicContact OE1-CZ 3.6Å; E306-R309 IonicContact OE1-NE 3.81Å; E306-R309 IonicContact OE1-NH2 3.57Å; E306-R309 PolarHBondContact OE1-NH2 2.9Å; E306-R309 IonicContact OE2-CZ 3.74Å; E306-R309 VanDerWaalsContact OE2-CZ 3.24Å; E306-R309 IonicContact OE2-NE 2.69Å; E306-R309 PolarHBondContact OE2-NE 3.27Å; E306-R309 IonicContact OE2-NH2 3.85Å; E306-R309 PolarHBondContact OE2-NH2 3Å; E306-R310 WeakPolarHBondContact O-CG 3.45Å; E306-R310 PolarHBondContact O-N 2.82Å; E306-R310 IonicContact OE1-CZ 3.63Å; E306-R310 IonicContact OE1-NE 3.89Å; E306-R310 PolarHBondContact OE1-NE 3.43Å; E306-R310 IonicContact OE1-NH2 3.53Å; E306-R310 PolarHBondContact OE1-NH2 3.21Å; E306-A394 HydrophobicContact CB-CB 4.07Å; E306-W398 HydrophobicContact CB-CE3 4Å; E306-W398 HydrophobicContact CG-CB 4.1Å; E306-W398 HydrophobicContact CG-CD2 3.86Å; E306-W398 HydrophobicContact CG-CE3 3.32Å; E306-W398 HydrophobicContact CG-CG 4.2Å; E306-W398 HydrophobicContact CG-CZ3 4.06Å
307	L	98.7	Very high	98.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.6	-178.4	64.8	0	0	0	111.2	V240 V255 F303 S304 R310 L311 W398	V240-L307 HydrophobicContact CG1-CD1 3.59Å; V240-L307 HydrophobicContact CG1-CD2 3.73Å; V240-L307 HydrophobicContact CG1-CG 4.34Å; V255-L307 HydrophobicContact CB-CD2 3.86Å; V255-L307 HydrophobicContact CG1-CD2 3.7Å; V255-L307 HydrophobicContact CG2-CD2 4.09Å; F303-L307 HydrophobicContact CE1-CD2 4.39Å; F303-L307 HydrophobicContact CE2-CB 4.29Å; F303-L307 HydrophobicContact CE2-CD2 4.39Å; F303-L307 HydrophobicContact CZ-CD2 3.96Å; F303-L307 WeakPolarHBondContact O-CB 3.48Å; F303-L307 PolarHBondContact O-N 3.06Å; S304-L307 PolarHBondContact O-N 2.96Å; L307-R310 PolarHBondContact O-N 2.88Å; L307-L311 HydrophobicContact CD1-CD1 3.46Å; L307-L311 VanDerWaalsContact CD1-CD1 3.46Å; L307-L311 HydrophobicContact CD1-CG 3.95Å; L307-L311 HydrophobicContact CG-CD1 4.25Å; L307-L311 PolarHBondContact O-N 3.24Å; L307-W398 HydrophobicContact CB-CZ3 4.1Å; L307-W398 HydrophobicContact CD1-CH2 3.86Å; L307-W398 HydrophobicContact CD1-CZ3 4.17Å
308	H	98.3	Very high	98.3	Very high	34 Å²	34	29.1 Å²	29.1	16%	0.157	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-48.3	175.5	176.4	62.6	0	0	0	111.3	S304 N305 R310 L311 S312 G372 G373	S304-H308 PolarHBondContact O-N 3.2Å; N305-H308 PolarHBondContact O-N 2.72Å; H308-R310 PolarHBondContact O-N 3.11Å; H308-L311 PolarHBondContact O-N 2.98Å; H308-S312 WeakPolarHBondContact CE1-CB 3.39Å; H308-S312 WeakPolarHBondContact O-CB 3.28Å; H308-S312 PolarHBondContact O-N 3Å; H308-S312 PolarHBondContact O-OG 2.99Å; H308-G372 WeakPolarHBondContact CE1-CA 3.38Å; H308-G372 PolarHBondContact CE1-N 3.25Å; H308-G372 WeakPolarHBondContact ND1-CA 3.37Å; H308-G372 PolarHBondContact NE2-O 2.92Å; H308-G373 PolarHBondContact CD2-N 3.06Å
309	R	98.2	Very high	98.3	Very high	108 Å²	108	29.1 Å²	29.1	41%	0.408	15%	0.147	S	C	.	.	H	α-helix	trans	-56.3	-34.6	178.9	-169	179.7	68.9	82.1	-0.8	112.4	N305 E306	N305-R309 PolarHBondContact O-N 3.43Å; E306-R309 PolarHBondContact O-N 3.39Å; E306-R309 IonicContact OE1-CZ 3.6Å; E306-R309 IonicContact OE1-NE 3.81Å; E306-R309 IonicContact OE1-NH2 3.57Å; E306-R309 PolarHBondContact OE1-NH2 2.9Å; E306-R309 IonicContact OE2-CZ 3.74Å; E306-R309 VanDerWaalsContact OE2-CZ 3.24Å; E306-R309 IonicContact OE2-NE 2.69Å; E306-R309 PolarHBondContact OE2-NE 3.27Å; E306-R309 IonicContact OE2-NH2 3.85Å; E306-R309 PolarHBondContact OE2-NH2 3Å
310	R	98.1	Very high	98.3	Very high	102 Å²	102	29.1 Å²	29.1	39%	0.385	15%	0.147	S	C	.	.	H	α-helix	trans	-82.1	-39.9	-179.1	-71.5	175.5	179.6	-109.3	0.4	113.8	E306 L307 H308 W398	E306-R310 WeakPolarHBondContact O-CG 3.45Å; E306-R310 PolarHBondContact O-N 2.82Å; E306-R310 IonicContact OE1-CZ 3.63Å; E306-R310 IonicContact OE1-NE 3.89Å; E306-R310 PolarHBondContact OE1-NE 3.43Å; E306-R310 IonicContact OE1-NH2 3.53Å; E306-R310 PolarHBondContact OE1-NH2 3.21Å; L307-R310 PolarHBondContact O-N 2.88Å; H308-R310 PolarHBondContact O-N 3.11Å; R310-W398 VanDerWaalsContact CD-CZ2 3.49Å
311	L	97.9	Very high	98.1	Very high	7 Å²	7	29 Å²	29	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-106.8	-10.8	-170	-56.3	-174.8	0	0	0	114.9	Q244 L307 H308 P313 R314 G315 V316	Q244-L311 HydrophobicContact CB-CD1 4.24Å; L307-L311 HydrophobicContact CD1-CD1 3.46Å; L307-L311 VanDerWaalsContact CD1-CD1 3.46Å; L307-L311 HydrophobicContact CD1-CG 3.95Å; L307-L311 HydrophobicContact CG-CD1 4.25Å; L307-L311 PolarHBondContact O-N 3.24Å; H308-L311 PolarHBondContact O-N 2.98Å; L311-P313 VanDerWaalsContact C-CD 3.41Å; L311-P313 VanDerWaalsContact C-N 3.34Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 WeakPolarHBondContact O-CA 3.35Å; L311-R314 WeakPolarHBondContact O-CB 3.26Å; L311-R314 PolarHBondContact O-N 2.99Å; L311-G315 PolarHBondContact O-N 2.72Å; L311-V316 CarbonylContact C-O 3.58Å; L311-V316 VanDerWaalsContact C-O 3.22Å; L311-V316 HydrophobicContact CB-CB 3.8Å; L311-V316 HydrophobicContact CB-CG1 4.37Å; L311-V316 HydrophobicContact CB-CG2 4.46Å; L311-V316 HydrophobicContact CD1-CB 4.45Å; L311-V316 HydrophobicContact CD1-CG1 4.32Å; L311-V316 PolarHBondContact O-N 3.32Å; L311-V316 VanDerWaalsContact O-N 3.14Å
312	S	97.2	Very high	97.7	Very high	46 Å²	46	29.4 Å²	29.4	32%	0.322	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-59.8	-35.3	176.3	70.9	0	0	0	0	113.9	H308 R314 G315 V316	H308-S312 WeakPolarHBondContact CE1-CB 3.39Å; H308-S312 WeakPolarHBondContact O-CB 3.28Å; H308-S312 PolarHBondContact O-N 3Å; H308-S312 PolarHBondContact O-OG 2.99Å; S312-R314 PolarHBondContact O-N 3.41Å; S312-R314 VanDerWaalsContact O-N 3.12Å; S312-G315 PolarHBondContact O-N 3.29Å; S312-V316 VanDerWaalsContact CA-O 3.25Å; S312-V316 WeakPolarHBondContact CA-O 3.27Å; S312-V316 PolarHBondContact N-O 2.54Å; S312-V316 VanDerWaalsContact N-O 3.15Å
313	P	97.4	Very high	96.8	Very high	109 Å²	109	30.1 Å²	30.1	71%	0.708	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-64.5	-17.1	173	-21.4	35.6	0	0	0	113.5	L311	L311-P313 VanDerWaalsContact C-CD 3.41Å; L311-P313 VanDerWaalsContact C-N 3.34Å
314	R	97.4	Very high	95.2	Very high	116 Å²	116	30.1 Å²	30.1	44%	0.438	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-101.4	15.9	175.8	-59.3	178.3	69	-166.5	0.4	112.3	D245 C248 L311 S312 V316	D245-R314 IonicContact OD1-CZ 3.93Å; D245-R314 IonicContact OD1-NH1 2.77Å; D245-R314 IonicContact OD1-NH2 2.86Å; D245-R314 PolarHBondContact OD1-NH2 3.06Å; C248-R314 HydrophobicContact CB-CB 4.3Å; C248-R314 PolarHBondContact SG-NE 2.85Å; C248-R314 VanDerWaalsContact SG-NE 3.4Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 WeakPolarHBondContact O-CA 3.35Å; L311-R314 WeakPolarHBondContact O-CB 3.26Å; L311-R314 PolarHBondContact O-N 2.99Å; S312-R314 PolarHBondContact O-N 3.41Å; S312-R314 VanDerWaalsContact O-N 3.12Å; R314-V316 PolarHBondContact O-N 3.03Å
315	G	97.1	Very high	93	Very high	32 Å²	32	34.3 Å²	34.3	33%	0.33	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	19.2	176.6	0	0	0	0	0	115.2	P252 A253 L311 S312	P252-G315 WeakPolarHBondContact CA-O 3.45Å; A253-G315 PolarHBondContact N-O 3.38Å; L311-G315 PolarHBondContact O-N 2.72Å; S312-G315 PolarHBondContact O-N 3.29Å
316	V	98.6	Very high	90.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.4	175.8	-173	0	0	0	0	110.1	L247 C248 A253 V255 L311 S312 R314	L247-V316 HydrophobicContact CB-CG1 4.2Å; L247-V316 HydrophobicContact CB-CG2 4.01Å; C248-V316 HydrophobicContact CB-CG2 4.38Å; A253-V316 HydrophobicContact CB-CG1 4.42Å; A253-V316 HydrophobicContact CB-CG2 4.32Å; A253-V316 WeakPolarHBondContact O-CA 3.46Å; V255-V316 HydrophobicContact CG2-CG1 4.06Å; L311-V316 CarbonylContact C-O 3.58Å; L311-V316 VanDerWaalsContact C-O 3.22Å; L311-V316 HydrophobicContact CB-CB 3.8Å; L311-V316 HydrophobicContact CB-CG1 4.37Å; L311-V316 HydrophobicContact CB-CG2 4.46Å; L311-V316 HydrophobicContact CD1-CB 4.45Å; L311-V316 HydrophobicContact CD1-CG1 4.32Å; L311-V316 PolarHBondContact O-N 3.32Å; L311-V316 VanDerWaalsContact O-N 3.14Å; S312-V316 VanDerWaalsContact CA-O 3.25Å; S312-V316 WeakPolarHBondContact CA-O 3.27Å; S312-V316 PolarHBondContact N-O 2.54Å; S312-V316 VanDerWaalsContact N-O 3.15Å; R314-V316 PolarHBondContact O-N 3.03Å
317	T	98.5	Very high	88.1	Confident	10 Å²	10	38.8 Å²	38.8	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	152.2	175.9	64.3	0	0	0	0	111.3	A253 R254 V255	A253-T317 PolarHBondContact O-N 3.33Å; R254-T317 CarbonylContact C-O 3.55Å; R254-T317 WeakPolarHBondContact CA-O 3.43Å; V255-T317 PolarHBondContact N-O 3.49Å
318	S	98.7	Very high	85.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	174	-175.5	0	0	0	0	110.9	V255 S304 G373	V255-S318 WeakPolarHBondContact O-CA 3.24Å; V255-S318 PolarHBondContact O-OG 3Å; S304-S318 WeakPolarHBondContact CA-OG 3.1Å; S304-S318 WeakPolarHBondContact O-CB 3.23Å; S304-S318 PolarHBondContact O-OG 3.05Å; S304-S318 PolarHBondContact OG-OG 3.38Å; S318-G373 PolarHBondContact O-N 2.83Å
319	N	98.6	Very high	82.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.5	176	-73.4	-49.8	0	0	0	110.9	V255 I256 V257 S304 C362 L371 G372 G373 M374 F376	V255-N319 PolarHBondContact O-N 2.97Å; I256-N319 WeakPolarHBondContact CA-O 3.46Å; I256-N319 HydrophobicContact CD1-CB 4.36Å; V257-N319 PolarHBondContact N-O 2.79Å; S304-N319 WeakPolarHBondContact OG-CA 3.45Å; S304-N319 PolarHBondContact OG-N 3.06Å; N319-C362 HydrophobicContact CB-CB 4.38Å; N319-L371 PolarHBondContact ND2-O 3.17Å; N319-G372 VanDerWaalsContact OD1-CA 3.27Å; N319-G372 WeakPolarHBondContact OD1-CA 3.28Å; N319-G373 PolarHBondContact OD1-N 2.85Å; N319-M374 WeakPolarHBondContact OD1-CB 3.05Å; N319-M374 PolarHBondContact OD1-N 3.35Å; N319-M374 PolarHBondContact OD1-O 3.32Å; N319-F376 HydrophobicContact CB-CD2 4.3Å; N319-F376 HydrophobicContact CB-CE2 4.25Å
320	A	98.1	Very high	79.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.5	173.4	0	0	0	0	0	109.9	V257 V301 S304 M374 Y375 F376	V257-A320 CarbonylContact O-C 3.5Å; V257-A320 VanDerWaalsContact O-CA 3.29Å; V257-A320 WeakPolarHBondContact O-CA 3.24Å; V301-A320 HydrophobicContact CB-CB 4.4Å; V301-A320 HydrophobicContact CG1-CB 4.3Å; V301-A320 HydrophobicContact CG2-CB 4.22Å; S304-A320 PolarHBondContact OG-N 3.19Å; A320-M374 PolarHBondContact N-O 3.17Å; A320-Y375 HydrophobicContact CB-CD2 4.03Å; A320-Y375 CarbonylContact O-C 3.59Å; A320-Y375 VanDerWaalsContact O-CA 3.28Å; A320-Y375 WeakPolarHBondContact O-CA 3.47Å; A320-F376 PolarHBondContact O-N 3.37Å
321	V	95.9	Very high	77.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.4	-176.4	-54	0	0	0	0	111.9	I256 V257 V258 S259 T358 C362 F376	I256-V321 HydrophobicContact CG2-CB 4.45Å; I256-V321 HydrophobicContact CG2-CG1 3.69Å; I256-V321 HydrophobicContact CG2-CG2 3.81Å; V257-V321 PolarHBondContact O-N 3.23Å; V258-V321 HydrophobicContact CB-CG2 4.39Å; V258-V321 HydrophobicContact CG2-CG2 3.93Å; S259-V321 CarbonylContact C-O 3.43Å; S259-V321 WeakPolarHBondContact CA-O 3.43Å; S259-V321 PolarHBondContact N-O 2.92Å; V321-T358 HydrophobicContact CB-CG2 3.97Å; V321-T358 HydrophobicContact CG1-CG2 4.14Å; V321-C362 HydrophobicContact CG1-CB 3.95Å; V321-C362 WeakPolarHBondContact CG1-SG 3.37Å; V321-F376 CarbonylContact C-O 3.47Å; V321-F376 WeakPolarHBondContact CA-O 3.41Å; V321-F376 HydrophobicContact CG1-CB 4.32Å
322	H	88.9	Confident	75.1	Confident	8 Å²	8	41.1 Å²	41.1	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.2	159.8	172.6	70.1	0	0	0	109.1	S260 E261 G324 N325 Y375 F376 N377	S260-H322 VanDerWaalsContact CA-ND1 3.33Å; S260-H322 WeakPolarHBondContact CA-ND1 3.48Å; E261-H322 PolarHBondContact N-ND1 3.45Å; E261-H322 VanDerWaalsContact N-ND1 3.18Å; H322-G324 VanDerWaalsContact CD2-CA 3.49Å; H322-G324 WeakPolarHBondContact CD2-CA 3.38Å; H322-G324 PolarHBondContact CD2-N 2.97Å; H322-G324 VanDerWaalsContact CD2-N 3.31Å; H322-G324 PolarHBondContact CE1-O 3.42Å; H322-G324 WeakPolarHBondContact NE2-CA 3.25Å; H322-G324 PolarHBondContact NE2-O 3.1Å; H322-G324 PolarHBondContact O-N 2.73Å; H322-N325 PolarHBondContact NE2-N 3.48Å; H322-N325 PolarHBondContact NE2-OD1 3.29Å; H322-Y375 HydrophobicContact CB-CE2 4.35Å; H322-Y375 VanDerWaalsContact CB-OH 3.29Å; H322-Y375 WeakPolarHBondContact CB-OH 3.38Å; H322-F376 PolarHBondContact N-O 2.99Å; H322-N377 HydrophobicContact CB-CB 4.41Å; H322-N377 PolarHBondContact CD2-ND2 2.91Å; H322-N377 PolarHBondContact CD2-OD1 3.03Å
323	P	81	Confident	72.8	Confident	15 Å²	15	47.9 Å²	47.9	10%	0.097	24%	0.241	C	C	.	.			trans	-71.6	-11.6	-175.6	30	-35.9	0	0	0	113.2	I136 V258 M327 G355	I136-P323 HydrophobicContact CD1-CB 3.71Å; I136-P323 HydrophobicContact CD1-CG 3.82Å; I136-P323 HydrophobicContact CG1-CB 4.5Å; I136-P323 HydrophobicContact CG2-CB 4.42Å; V258-P323 HydrophobicContact CG1-CG 4.34Å; P323-M327 HydrophobicContact CB-SD 3.69Å; P323-M327 HydrophobicContact CG-SD 3.95Å; P323-G355 WeakPolarHBondContact CA-O 3.44Å; P323-G355 WeakPolarHBondContact CB-O 3.36Å; P323-G355 WeakPolarHBondContact O-CA 3.27Å
324	G	65.1	Low	70.5	Confident	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.229	C	C	.	.			trans	129.1	158.7	175.3	0	0	0	0	0	112.8	H322 M327	H322-G324 VanDerWaalsContact CD2-CA 3.49Å; H322-G324 WeakPolarHBondContact CD2-CA 3.38Å; H322-G324 PolarHBondContact CD2-N 2.97Å; H322-G324 VanDerWaalsContact CD2-N 3.31Å; H322-G324 PolarHBondContact CE1-O 3.42Å; H322-G324 WeakPolarHBondContact NE2-CA 3.25Å; H322-G324 PolarHBondContact NE2-O 3.1Å; H322-G324 PolarHBondContact O-N 2.73Å; G324-M327 WeakPolarHBondContact O-CG 3.35Å
325	N	52.2	Low	68.3	Low	88 Å²	88	47.3 Å²	47.3	47%	0.471	24%	0.235	S	C	.	.	S	Bend	trans	-76.9	151.7	177.3	-69.6	-12.2	0	0	0	110.7	H322	H322-N325 PolarHBondContact NE2-N 3.48Å; H322-N325 PolarHBondContact NE2-OD1 3.29Å
326	M	45.8	Very low	65.6	Low	109 Å²	109	55.2 Å²	55.2	54%	0.537	26%	0.255	S	S	.	.	S	Bend	trans	55.6	61.8	179.5	-66.4	-172.1	-76.8	0	0	113.6	F348 T349 K350	M326-F348 HydrophobicContact CE-CB 4.25Å; M326-F348 VanDerWaalsContact CE-O 3.31Å; M326-F348 WeakPolarHBondContact CE-O 3.44Å; M326-F348 HydrophobicContact SD-CB 4Å; M326-T349 HydrophobicContact CB-CG2 4.18Å; M326-T349 CarbonylContact O-C 3.58Å; M326-T349 WeakPolarHBondContact O-CA 3.4Å; M326-T349 WeakPolarHBondContact O-CB 3.25Å; M326-K350 PolarHBondContact O-N 3.47Å
327	M	49.7	Very low	63	Low	23 Å²	23	57.6 Å²	57.6	11%	0.113	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-96.5	119.1	173.3	-66.4	-143.4	71.9	0	0	110.7	I136 P323 G324 S329 K350 G355	I136-M327 HydrophobicContact CD1-CE 3.95Å; I136-M327 HydrophobicContact CD1-SD 3.5Å; I136-M327 VanDerWaalsContact CD1-SD 3.5Å; I136-M327 HydrophobicContact CG1-CE 3.78Å; I136-M327 HydrophobicContact CG1-SD 3.99Å; P323-M327 HydrophobicContact CB-SD 3.69Å; P323-M327 HydrophobicContact CG-SD 3.95Å; G324-M327 WeakPolarHBondContact O-CG 3.35Å; M327-S329 PolarHBondContact O-N 3.31Å; M327-S329 VanDerWaalsContact O-N 3.14Å; M327-K350 HydrophobicContact CE-CB 4.48Å; M327-G355 VanDerWaalsContact SD-CA 3.56Å
328	Y	37.8	Very low	60.7	Low	81 Å²	81	61.4 Å²	61.4	32%	0.318	28%	0.283	S	S	.	.			trans	-73.8	102.7	165.1	-174.4	-95.4	0	0	0	107.8	F342 M352	Y328-F342 HydrophobicContact CD2-CB 4.1Å; Y328-F342 HydrophobicContact CE2-CB 4.24Å; Y328-M352 WeakPolarHBondContact O-CE 3.39Å
329	S	42.1	Very low	58.2	Low	25 Å²	25	64.2 Å²	64.2	18%	0.175	30%	0.301	C	S	.	.			trans	-115.3	144.1	172.7	72.5	0	0	0	0	110.5	M327 I331	M327-S329 PolarHBondContact O-N 3.31Å; M327-S329 VanDerWaalsContact O-N 3.14Å; S329-I331 PolarHBondContact O-N 3.44Å; S329-I331 VanDerWaalsContact OG-CD1 3.31Å; S329-I331 WeakPolarHBondContact OG-CD1 3.45Å; S329-I331 VanDerWaalsContact OG-CG1 3.32Å; S329-I331 WeakPolarHBondContact OG-CG1 3.25Å
330	N	41.8	Very low	55.5	Low	98 Å²	98	69 Å²	69	52%	0.524	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	24.5	-177.7	-133	-5.9	0	0	0	112.9
331	I	49.9	Very low	52.9	Low	67 Å²	67	74 Å²	74	34%	0.344	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.6	-172.9	-63.6	-178.5	0	0	0	111.1	F214 S329 R333	F214-I331 HydrophobicContact CB-CG2 3.61Å; F214-I331 HydrophobicContact CD1-CG2 3.81Å; F214-I331 HydrophobicContact CG-CG2 4.2Å; S329-I331 PolarHBondContact O-N 3.44Å; S329-I331 VanDerWaalsContact OG-CD1 3.31Å; S329-I331 WeakPolarHBondContact OG-CD1 3.45Å; S329-I331 VanDerWaalsContact OG-CG1 3.32Å; S329-I331 WeakPolarHBondContact OG-CG1 3.25Å; I331-R333 PolarHBondContact O-N 3.03Å
332	H	44.6	Very low	50.5	Low	31 Å²	31	76.5 Å²	76.5	14%	0.144	36%	0.363	C	S	.	.			trans	-90.6	70.6	-179.9	-62.4	-83.9	0	0	0	112.8	F214 F342	F214-H332 AromaticContact CD1-CE1 3.99Å; F214-H332 AromaticContact CE1-CE1 3.28Å; F214-H332 WeakPolarHBondContact CE1-CE1 3.46Å; F214-H332 AromaticContact CE1-NE2 3.75Å; H332-F342 AromaticContact CD2-CE2 3.84Å; H332-F342 AromaticContact CE1-CE2 3.51Å; H332-F342 AromaticContact NE2-CD2 4Å; H332-F342 AromaticContact NE2-CE2 3.29Å; H332-F342 VanDerWaalsContact NE2-CE2 3.29Å; H332-F342 WeakPolarHBondContact NE2-CE2 3.19Å; H332-F342 AromaticContact NE2-CZ 3.65Å
333	R	49.8	Very low	48.1	Very low	187 Å²	187	79.1 Å²	79.1	71%	0.706	38%	0.379	S	S	*	.			trans	-86.8	-2.3	176.9	-75.9	-172.5	176.7	-172.7	-6	114.9	I331	I331-R333 PolarHBondContact O-N 3.03Å
334	S	49.9	Very low	45.8	Very low	66 Å²	66	84.5 Å²	84.5	46%	0.462	41%	0.407	S	S	.	.	S	Bend	trans	-118.2	-10	-167.9	52.3	0	0	0	0	116.8	A215	A215-S334 PolarHBondContact O-OG 3.1Å; A215-S334 VanDerWaalsContact O-OG 3.08Å
335	W	50.8	Low	44.6	Very low	147 Å²	147	85.7 Å²	85.7	56%	0.557	42%	0.416	S	S	*	.			trans	-138.7	113.6	-175.8	-116	46.2	0	0	0	113.8	V337 Y338 T339	W335-V337 VanDerWaalsContact C-N 3.31Å; W335-V337 HydrophobicContact CE3-CB 4.16Å; W335-V337 PolarHBondContact O-N 3.24Å; W335-Y338 HydrophobicContact CB-CD2 3.89Å; W335-Y338 HydrophobicContact CD2-CD2 4.1Å; W335-Y338 HydrophobicContact CD2-CE2 4.22Å; W335-Y338 AromaticContact CE3-CD2 3.37Å; W335-Y338 HydrophobicContact CE3-CD2 3.37Å; W335-Y338 AromaticContact CE3-CE2 3.33Å; W335-Y338 HydrophobicContact CE3-CE2 3.33Å; W335-Y338 HydrophobicContact CE3-CG 4.42Å; W335-Y338 HydrophobicContact CG-CD2 4.36Å; W335-Y338 HydrophobicContact CZ3-CD2 4.18Å; W335-Y338 AromaticContact CZ3-CE2 3.71Å; W335-Y338 HydrophobicContact CZ3-CE2 3.71Å; W335-Y338 PolarHBondContact O-N 3.39Å; W335-T339 PolarHBondContact O-N 2.61Å; W335-T339 PolarHBondContact O-OG1 3.34Å
336	W	40.3	Very low	44	Very low	198 Å²	198	89.1 Å²	89.1	75%	0.75	42%	0.422	S	S	*	.	H	α-helix	trans	-64.9	-29.2	-177	67.8	-85.8	0	0	0	114	T339 L340	W336-T339 WeakPolarHBondContact O-CB 3.17Å; W336-T339 PolarHBondContact O-N 2.9Å; W336-L340 PolarHBondContact O-N 3.26Å
337	V	43.7	Very low	43.4	Very low	52 Å²	52	88.9 Å²	88.9	32%	0.315	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-39.1	177.1	178.3	0	0	0	0	111.5	W335 L340 L341	W335-V337 VanDerWaalsContact C-N 3.31Å; W335-V337 HydrophobicContact CE3-CB 4.16Å; W335-V337 PolarHBondContact O-N 3.24Å; V337-L340 PolarHBondContact O-N 2.93Å; V337-L341 HydrophobicContact CG1-CD1 4.09Å; V337-L341 PolarHBondContact O-N 3.06Å
338	Y	49.5	Very low	42.8	Very low	89 Å²	89	95.1 Å²	95.1	35%	0.349	46%	0.456	S	S	.	.	H	α-helix	trans	-69.2	-40.4	173.5	-78.5	-63.8	0	0	0	111	W335 L340 L341 F342	W335-Y338 HydrophobicContact CB-CD2 3.89Å; W335-Y338 HydrophobicContact CD2-CD2 4.1Å; W335-Y338 HydrophobicContact CD2-CE2 4.22Å; W335-Y338 AromaticContact CE3-CD2 3.37Å; W335-Y338 HydrophobicContact CE3-CD2 3.37Å; W335-Y338 AromaticContact CE3-CE2 3.33Å; W335-Y338 HydrophobicContact CE3-CE2 3.33Å; W335-Y338 HydrophobicContact CE3-CG 4.42Å; W335-Y338 HydrophobicContact CG-CD2 4.36Å; W335-Y338 HydrophobicContact CZ3-CD2 4.18Å; W335-Y338 AromaticContact CZ3-CE2 3.71Å; W335-Y338 HydrophobicContact CZ3-CE2 3.71Å; W335-Y338 PolarHBondContact O-N 3.39Å; Y338-L340 PolarHBondContact O-N 2.91Å; Y338-L341 PolarHBondContact O-N 2.66Å; Y338-F342 AromaticContact CD1-CE2 3.99Å; Y338-F342 HydrophobicContact CD1-CE2 3.99Å; Y338-F342 HydrophobicContact CG-CE2 4.49Å; Y338-F342 WeakPolarHBondContact O-CB 3.31Å; Y338-F342 WeakPolarHBondContact O-CD2 3.16Å; Y338-F342 PolarHBondContact O-N 3.02Å
339	T	48	Very low	43.6	Very low	61 Å²	61	92.7 Å²	92.7	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-55.6	-41.5	173.5	-51.6	0	0	0	0	111.7	W335 W336 T343	W335-T339 PolarHBondContact O-N 2.61Å; W335-T339 PolarHBondContact O-OG1 3.34Å; W336-T339 WeakPolarHBondContact O-CB 3.17Å; W336-T339 PolarHBondContact O-N 2.9Å; T339-T343 VanDerWaalsContact O-CB 3.24Å; T339-T343 WeakPolarHBondContact O-CB 3.49Å; T339-T343 PolarHBondContact O-N 2.94Å; T339-T343 PolarHBondContact O-OG1 2.93Å
340	L	41	Very low	44.4	Very low	100 Å²	100	93 Å²	93	52%	0.524	45%	0.448	S	S	.	.	H	α-helix	trans	-68.6	-47.1	177.8	-172.3	65.4	0	0	0	112.5	W336 V337 Y338 F342 T343 L344	W336-L340 PolarHBondContact O-N 3.26Å; V337-L340 PolarHBondContact O-N 2.93Å; Y338-L340 PolarHBondContact O-N 2.91Å; L340-F342 PolarHBondContact O-N 3.22Å; L340-T343 PolarHBondContact O-N 3.15Å; L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.47Å
341	L	42.9	Very low	46	Very low	104 Å²	104	90.9 Å²	90.9	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.7	-86.8	156.1	0	0	0	112.7	V337 Y338 L344 A345	V337-L341 HydrophobicContact CG1-CD1 4.09Å; V337-L341 PolarHBondContact O-N 3.06Å; Y338-L341 PolarHBondContact O-N 2.66Å; L341-L344 PolarHBondContact O-N 3.43Å; L341-A345 PolarHBondContact O-N 3.43Å; L341-A345 VanDerWaalsContact O-N 3.13Å
342	F	45.7	Very low	47.6	Very low	53 Å²	53	89.9 Å²	89.9	23%	0.232	44%	0.435	C	S	.	.	H	α-helix	trans	-72.5	-28	176.7	-78.9	-69	0	0	0	113.1	Y328 H332 Y338 L340 A345 R346	Y328-F342 HydrophobicContact CD2-CB 4.1Å; Y328-F342 HydrophobicContact CE2-CB 4.24Å; H332-F342 AromaticContact CD2-CE2 3.84Å; H332-F342 AromaticContact CE1-CE2 3.51Å; H332-F342 AromaticContact NE2-CD2 4Å; H332-F342 AromaticContact NE2-CE2 3.29Å; H332-F342 VanDerWaalsContact NE2-CE2 3.29Å; H332-F342 WeakPolarHBondContact NE2-CE2 3.19Å; H332-F342 AromaticContact NE2-CZ 3.65Å; Y338-F342 AromaticContact CD1-CE2 3.99Å; Y338-F342 HydrophobicContact CD1-CE2 3.99Å; Y338-F342 HydrophobicContact CG-CE2 4.49Å; Y338-F342 WeakPolarHBondContact O-CB 3.31Å; Y338-F342 WeakPolarHBondContact O-CD2 3.16Å; Y338-F342 PolarHBondContact O-N 3.02Å; L340-F342 PolarHBondContact O-N 3.22Å; F342-A345 PolarHBondContact O-N 2.99Å; F342-R346 PolarHBondContact O-N 3.24Å
343	T	37.7	Very low	49.5	Very low	63 Å²	63	89.7 Å²	89.7	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-70.8	-33.7	173.7	-60.7	0	0	0	0	111.5	T339 L340 R346	T339-T343 VanDerWaalsContact O-CB 3.24Å; T339-T343 WeakPolarHBondContact O-CB 3.49Å; T339-T343 PolarHBondContact O-N 2.94Å; T339-T343 PolarHBondContact O-OG1 2.93Å; L340-T343 PolarHBondContact O-N 3.15Å; T343-R346 WeakPolarHBondContact O-CB 3.45Å
344	L	34.7	Very low	51.2	Low	129 Å²	129	82.9 Å²	82.9	68%	0.675	41%	0.41	S	S	*	.	H	α-helix	trans	-75.4	-28.1	174.5	-68.4	169.1	0	0	0	112.7	L340 L341 R346	L340-L344 WeakPolarHBondContact O-CG 3.46Å; L340-L344 PolarHBondContact O-N 3.47Å; L341-L344 PolarHBondContact O-N 3.43Å; L344-R346 VanDerWaalsContact C-N 3.33Å
345	A	38.2	Very low	52.9	Low	29 Å²	29	79.7 Å²	79.7	24%	0.24	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.1	177.2	0	0	0	0	0	114.6	L341 F342 P347 F348 T349	L341-A345 PolarHBondContact O-N 3.43Å; L341-A345 VanDerWaalsContact O-N 3.13Å; F342-A345 PolarHBondContact O-N 2.99Å; A345-P347 WeakPolarHBondContact O-CD 3.47Å; A345-F348 PolarHBondContact O-N 3.12Å; A345-T349 HydrophobicContact CB-CG2 4.37Å; A345-T349 WeakPolarHBondContact O-CG2 3.17Å; A345-T349 PolarHBondContact O-N 3.36Å
346	R	39.4	Very low	54.9	Low	159 Å²	159	72.7 Å²	72.7	60%	0.6	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-47	-39.3	-176.5	-108.3	178.9	159.6	-176.2	-6.1	117	F342 T343 L344 F348 T349	F342-R346 PolarHBondContact O-N 3.24Å; T343-R346 WeakPolarHBondContact O-CB 3.45Å; L344-R346 VanDerWaalsContact C-N 3.33Å; R346-F348 PolarHBondContact O-N 3.29Å; R346-T349 PolarHBondContact O-OG1 2.92Å; R346-T349 VanDerWaalsContact O-OG1 3.07Å
347	P	33.4	Very low	57.5	Low	105 Å²	105	63.4 Å²	63.4	68%	0.682	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-71.4	-11.5	178.6	-8.9	22.3	0	0	0	113.5	A345	A345-P347 WeakPolarHBondContact O-CD 3.47Å
348	F	38.8	Very low	59.9	Low	153 Å²	153	61 Å²	61	67%	0.671	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-116.4	6.3	-175.5	-56.8	-77.5	0	0	0	113	M326 A345 R346	M326-F348 HydrophobicContact CE-CB 4.25Å; M326-F348 VanDerWaalsContact CE-O 3.31Å; M326-F348 WeakPolarHBondContact CE-O 3.44Å; M326-F348 HydrophobicContact SD-CB 4Å; A345-F348 PolarHBondContact O-N 3.12Å; R346-F348 PolarHBondContact O-N 3.29Å
349	T	53.9	Low	62.2	Low	30 Å²	30	56.7 Å²	56.7	18%	0.184	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-96.2	135.2	-178.9	53.1	0	0	0	0	112.9	M326 A345 R346	M326-T349 HydrophobicContact CB-CG2 4.18Å; M326-T349 CarbonylContact O-C 3.58Å; M326-T349 WeakPolarHBondContact O-CA 3.4Å; M326-T349 WeakPolarHBondContact O-CB 3.25Å; A345-T349 HydrophobicContact CB-CG2 4.37Å; A345-T349 WeakPolarHBondContact O-CG2 3.17Å; A345-T349 PolarHBondContact O-N 3.36Å; R346-T349 PolarHBondContact O-OG1 2.92Å; R346-T349 VanDerWaalsContact O-OG1 3.07Å
350	K	58.8	Low	64.5	Low	32 Å²	32	53.8 Å²	53.8	14%	0.139	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-59.3	146.3	173.5	-73	-169.2	175	-150.4	0	112.1	G109 M326 M327 Q354 N378	G109-K350 WeakPolarHBondContact O-CE 3.21Å; G109-K350 PolarHBondContact O-NZ 2.73Å; M326-K350 PolarHBondContact O-N 3.47Å; M327-K350 HydrophobicContact CE-CB 4.48Å; K350-Q354 HydrophobicContact CB-CB 4.09Å; K350-Q354 HydrophobicContact CD-CB 4.29Å; K350-Q354 HydrophobicContact CG-CB 4.42Å; K350-N378 PolarHBondContact NZ-OD1 2.86Å
351	S	75.9	Confident	67.2	Low	53 Å²	53	50.2 Å²	50.2	37%	0.371	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-67.3	160	168.5	82.9	0	0	0	0	111.2	Q353 Q354 G355	S351-Q353 PolarHBondContact O-N 2.73Å; S351-Q353 PolarHBondContact OG-N 3.32Å; S351-Q354 WeakPolarHBondContact O-CB 3.3Å; S351-Q354 PolarHBondContact O-N 3.16Å; S351-Q354 VanDerWaalsContact O-N 3.16Å; S351-Q354 WeakPolarHBondContact OG-CG 3.33Å; S351-Q354 PolarHBondContact OG-N 3.07Å; S351-Q354 VanDerWaalsContact OG-N 3.07Å; S351-G355 PolarHBondContact O-N 2.86Å
352	M	82.7	Confident	69.8	Low	46 Å²	46	45.2 Å²	45.2	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-33.4	176.1	-65	-66.4	-164.6	0	0	112.2	G135 I136 E139 Y328 G355 A356	G135-M352 VanDerWaalsContact CA-SD 3.56Å; I136-M352 HydrophobicContact CG1-SD 4.39Å; E139-M352 HydrophobicContact CG-CB 3.5Å; Y328-M352 WeakPolarHBondContact O-CE 3.39Å; M352-G355 PolarHBondContact O-N 3.1Å; M352-A356 PolarHBondContact O-N 2.97Å
353	Q	84.6	Confident	72.3	Confident	27 Å²	27	42.9 Å²	42.9	13%	0.126	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-40.3	174.3	-91.1	-68.1	-27.6	0	0	111.6	T112 A113 E139 S143 S351 G355 A356 A357	T112-Q353 HydrophobicContact CG2-CB 4.13Å; A113-Q353 PolarHBondContact N-O 3.44Å; E139-Q353 HydrophobicContact CB-CG 4.25Å; E139-Q353 HydrophobicContact CG-CG 4.05Å; E139-Q353 WeakPolarHBondContact OE2-CG 3.43Å; E139-Q353 PolarHBondContact OE2-NE2 2.9Å; S143-Q353 PolarHBondContact OG-NE2 2.92Å; S351-Q353 PolarHBondContact O-N 2.73Å; S351-Q353 PolarHBondContact OG-N 3.32Å; Q353-G355 VanDerWaalsContact C-N 3.31Å; Q353-A356 PolarHBondContact O-N 3.05Å; Q353-A357 PolarHBondContact O-N 2.75Å
354	Q	85.5	Confident	75	Confident	44 Å²	44	40.1 Å²	40.1	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-33.1	171.8	-70.6	170.1	-29.7	0	0	112.4	S110 T111 T112 K350 S351 A356 A357	S110-Q354 VanDerWaalsContact O-CG 3.31Å; S110-Q354 WeakPolarHBondContact O-CG 3.41Å; S110-Q354 PolarHBondContact O-NE2 3.49Å; T111-Q354 WeakPolarHBondContact O-CA 3.38Å; T112-Q354 HydrophobicContact CG2-CG 4.03Å; K350-Q354 HydrophobicContact CB-CB 4.09Å; K350-Q354 HydrophobicContact CD-CB 4.29Å; K350-Q354 HydrophobicContact CG-CB 4.42Å; S351-Q354 WeakPolarHBondContact O-CB 3.3Å; S351-Q354 PolarHBondContact O-N 3.16Å; S351-Q354 VanDerWaalsContact O-N 3.16Å; S351-Q354 WeakPolarHBondContact OG-CG 3.33Å; S351-Q354 PolarHBondContact OG-N 3.07Å; S351-Q354 VanDerWaalsContact OG-N 3.07Å; Q354-A356 VanDerWaalsContact C-N 3.33Å; Q354-A357 WeakPolarHBondContact O-CB 3.34Å; Q354-A357 PolarHBondContact O-N 3.44Å
355	G	85.3	Confident	77.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-36.3	171.9	0	0	0	0	0	114.9	P323 M327 S351 M352 Q353 A357	P323-G355 WeakPolarHBondContact CA-O 3.44Å; P323-G355 WeakPolarHBondContact CB-O 3.36Å; P323-G355 WeakPolarHBondContact O-CA 3.27Å; M327-G355 VanDerWaalsContact SD-CA 3.56Å; S351-G355 PolarHBondContact O-N 2.86Å; M352-G355 PolarHBondContact O-N 3.1Å; Q353-G355 VanDerWaalsContact C-N 3.31Å; G355-A357 VanDerWaalsContact C-N 3.29Å
356	A	92.7	Very high	80.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-76.5	-17.8	178.3	0	0	0	0	0	112.7	A113 I136 E139 T140 M352 Q353 Q354 T358 T359 V360	A113-A356 HydrophobicContact CB-CB 3.61Å; I136-A356 HydrophobicContact CG2-CB 4.26Å; E139-A356 HydrophobicContact CB-CB 3.99Å; T140-A356 WeakPolarHBondContact OG1-CB 3.43Å; M352-A356 PolarHBondContact O-N 2.97Å; Q353-A356 PolarHBondContact O-N 3.05Å; Q354-A356 VanDerWaalsContact C-N 3.33Å; A356-T358 PolarHBondContact O-N 2.84Å; A356-T359 WeakPolarHBondContact O-CB 3.31Å; A356-T359 PolarHBondContact O-N 2.63Å; A356-V360 WeakPolarHBondContact O-CB 3.48Å; A356-V360 WeakPolarHBondContact O-CG2 3.15Å; A356-V360 PolarHBondContact O-N 3.03Å
357	A	94.4	Very high	82.6	Confident	2 Å²	2	32.6 Å²	32.6	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-50.6	-170.8	0	0	0	0	0	113.2	T111 I116 Q353 Q354 G355 T359 V360 Y361	T111-A357 WeakPolarHBondContact O-CB 3.41Å; I116-A357 HydrophobicContact CG1-CB 4.23Å; Q353-A357 PolarHBondContact O-N 2.75Å; Q354-A357 WeakPolarHBondContact O-CB 3.34Å; Q354-A357 PolarHBondContact O-N 3.44Å; G355-A357 VanDerWaalsContact C-N 3.29Å; A357-T359 VanDerWaalsContact C-N 3.3Å; A357-T359 PolarHBondContact O-N 2.76Å; A357-V360 PolarHBondContact O-N 3.42Å; A357-Y361 VanDerWaalsContact O-CB 3.23Å; A357-Y361 WeakPolarHBondContact O-CB 3.35Å; A357-Y361 PolarHBondContact O-N 3.31Å
358	T	94.8	Very high	85.2	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-39	178.9	-50.6	0	0	0	0	112	V321 A356 Y361 C362 F376 N378 C379	V321-T358 HydrophobicContact CB-CG2 3.97Å; V321-T358 HydrophobicContact CG1-CG2 4.14Å; A356-T358 PolarHBondContact O-N 2.84Å; T358-Y361 PolarHBondContact O-N 3.21Å; T358-C362 PolarHBondContact O-N 2.81Å; T358-C362 PolarHBondContact O-SG 2.76Å; T358-F376 HydrophobicContact CG2-CB 3.58Å; T358-N378 PolarHBondContact OG1-N 2.94Å; T358-C379 PolarHBondContact OG1-N 2.94Å; T358-C379 VanDerWaalsContact OG1-N 3.15Å
359	T	97.4	Very high	87.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-49.5	177.3	-58.3	0	0	0	0	110.8	T140 V208 I256 A356 A357 C362 A363	T140-T359 HydrophobicContact CG2-CG2 4.04Å; V208-T359 HydrophobicContact CG1-CG2 3.51Å; V208-T359 HydrophobicContact CG2-CG2 4.38Å; I256-T359 HydrophobicContact CG2-CG2 3.92Å; A356-T359 WeakPolarHBondContact O-CB 3.31Å; A356-T359 PolarHBondContact O-N 2.63Å; A357-T359 VanDerWaalsContact C-N 3.3Å; A357-T359 PolarHBondContact O-N 2.76Å; T359-C362 PolarHBondContact O-N 3.02Å; T359-A363 WeakPolarHBondContact O-CB 3.19Å; T359-A363 PolarHBondContact O-N 3.27Å
360	V	97.8	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-39.3	179.7	172.6	0	0	0	0	111	A113 I116 L117 T140 F144 A356 A357 C362 A363 A364	A113-V360 HydrophobicContact CB-CB 4.02Å; A113-V360 HydrophobicContact CB-CG1 4.37Å; A113-V360 HydrophobicContact CB-CG2 3.68Å; I116-V360 HydrophobicContact CB-CG1 4.04Å; I116-V360 HydrophobicContact CG2-CG1 3.83Å; L117-V360 HydrophobicContact CD1-CG1 3.8Å; L117-V360 HydrophobicContact CD2-CG1 3.43Å; L117-V360 VanDerWaalsContact CD2-CG1 3.43Å; L117-V360 HydrophobicContact CG-CG1 3.43Å; L117-V360 VanDerWaalsContact CG-CG1 3.43Å; T140-V360 HydrophobicContact CG2-CG2 3.93Å; F144-V360 HydrophobicContact CE2-CG1 4.47Å; F144-V360 HydrophobicContact CE2-CG2 4.01Å; F144-V360 HydrophobicContact CZ-CG1 4.31Å; A356-V360 WeakPolarHBondContact O-CB 3.48Å; A356-V360 WeakPolarHBondContact O-CG2 3.15Å; A356-V360 PolarHBondContact O-N 3.03Å; A357-V360 PolarHBondContact O-N 3.42Å; V360-C362 PolarHBondContact O-N 3.47Å; V360-A363 PolarHBondContact O-N 3.34Å; V360-A364 WeakPolarHBondContact O-CB 3.24Å; V360-A364 PolarHBondContact O-N 3.21Å
361	Y	96.8	Very high	90.5	Very high	24 Å²	24	30.2 Å²	30.2	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-55.7	-53.1	173.3	178.5	-105.9	0	0	0	111	Y107 I116 A357 T358 A363 A364 A365 E367 L368 F376 C379	Y107-Y361 AromaticContact CD2-CD2 3.54Å; Y107-Y361 HydrophobicContact CD2-CD2 3.54Å; Y107-Y361 AromaticContact CD2-CE2 3.56Å; Y107-Y361 HydrophobicContact CD2-CE2 3.56Å; Y107-Y361 AromaticContact CE2-CD2 3.7Å; Y107-Y361 HydrophobicContact CE2-CD2 3.7Å; Y107-Y361 AromaticContact CE2-CE2 3.7Å; Y107-Y361 HydrophobicContact CE2-CE2 3.7Å; I116-Y361 HydrophobicContact CD1-CD2 4.2Å; I116-Y361 HydrophobicContact CG2-CD2 4.47Å; A357-Y361 VanDerWaalsContact O-CB 3.23Å; A357-Y361 WeakPolarHBondContact O-CB 3.35Å; A357-Y361 PolarHBondContact O-N 3.31Å; T358-Y361 PolarHBondContact O-N 3.21Å; Y361-A363 VanDerWaalsContact C-N 3.27Å; Y361-A363 PolarHBondContact O-N 2.82Å; Y361-A364 PolarHBondContact O-N 3.13Å; Y361-A365 HydrophobicContact CD2-CB 3.71Å; Y361-A365 HydrophobicContact CE2-CB 3.51Å; Y361-A365 HydrophobicContact CG-CB 4.28Å; Y361-A365 WeakPolarHBondContact O-CB 3.34Å; Y361-A365 PolarHBondContact O-N 3.33Å; Y361-E367 WeakPolarHBondContact CE2-OE1 3.29Å; Y361-E367 WeakPolarHBondContact OH-CG 3.38Å; Y361-E367 PolarHBondContact OH-OE1 2.68Å; Y361-L368 HydrophobicContact CD1-CD1 4.01Å; Y361-L368 HydrophobicContact CE1-CD1 3.68Å; Y361-L368 HydrophobicContact CE1-CG 4.36Å; Y361-F376 HydrophobicContact CD1-CD1 4.42Å; Y361-F376 HydrophobicContact CE1-CD1 4.22Å; Y361-F376 AromaticContact CE1-CE1 4Å; Y361-F376 HydrophobicContact CE1-CE1 4Å; Y361-C379 HydrophobicContact CD1-CB 4.08Å; Y361-C379 HydrophobicContact CD2-CB 4.44Å; Y361-C379 WeakPolarHBondContact CE1-O 3.36Å; Y361-C379 HydrophobicContact CG-CB 4.01Å
362	C	96.9	Very high	91.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-35.1	179	-62.7	0	0	0	0	112.6	R254 I256 N319 V321 T358 T359 V360 L368 F376	R254-C362 WeakPolarHBondContact CD-O 3.44Å; R254-C362 PolarHBondContact NH1-O 3.23Å; I256-C362 HydrophobicContact CD1-CB 3.61Å; I256-C362 HydrophobicContact CG1-CB 4.33Å; I256-C362 HydrophobicContact CG2-CB 4.39Å; N319-C362 HydrophobicContact CB-CB 4.38Å; V321-C362 HydrophobicContact CG1-CB 3.95Å; V321-C362 WeakPolarHBondContact CG1-SG 3.37Å; T358-C362 PolarHBondContact O-N 2.81Å; T358-C362 PolarHBondContact O-SG 2.76Å; T359-C362 PolarHBondContact O-N 3.02Å; V360-C362 PolarHBondContact O-N 3.47Å; C362-L368 HydrophobicContact CB-CD1 4.47Å; C362-F376 WeakPolarHBondContact SG-CD2 3.25Å; C362-F376 WeakPolarHBondContact SG-CG 3.3Å
363	A	97.8	Very high	91.9	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-74	-26.3	178.8	0	0	0	0	0	114.2	F144 V206 R254 I256 T359 V360 Y361	F144-A363 HydrophobicContact CE2-CB 4.08Å; F144-A363 HydrophobicContact CZ-CB 3.61Å; V206-A363 HydrophobicContact CG1-CB 3.79Å; R254-A363 WeakPolarHBondContact CD-O 3.36Å; I256-A363 HydrophobicContact CD1-CB 4.49Å; I256-A363 HydrophobicContact CG1-CB 3.85Å; T359-A363 WeakPolarHBondContact O-CB 3.19Å; T359-A363 PolarHBondContact O-N 3.27Å; V360-A363 PolarHBondContact O-N 3.34Å; Y361-A363 VanDerWaalsContact C-N 3.27Å; Y361-A363 PolarHBondContact O-N 2.82Å
364	A	95.8	Very high	92.4	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-120.8	-32.9	-166.8	0	0	0	0	0	114.4	L117 R120 F122 F144 V360 Y361	L117-A364 HydrophobicContact CD2-CB 3.42Å; L117-A364 VanDerWaalsContact CD2-CB 3.42Å; R120-A364 PolarHBondContact NH1-O 3.19Å; F122-A364 HydrophobicContact CE1-CB 4.37Å; F122-A364 HydrophobicContact CZ-CB 3.65Å; F144-A364 HydrophobicContact CE1-CB 4.43Å; F144-A364 HydrophobicContact CZ-CB 4.43Å; V360-A364 WeakPolarHBondContact O-CB 3.24Å; V360-A364 PolarHBondContact O-N 3.21Å; Y361-A364 PolarHBondContact O-N 3.13Å
365	A	92.8	Very high	92.8	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.033	16%	0.156	C	C	.	.			trans	-56.6	125	-166.8	0	0	0	0	0	111.8	R254 Y361 E367 L368	R254-A365 PolarHBondContact NH1-O 3.43Å; R254-A365 PolarHBondContact NH2-O 3.07Å; Y361-A365 HydrophobicContact CD2-CB 3.71Å; Y361-A365 HydrophobicContact CE2-CB 3.51Å; Y361-A365 HydrophobicContact CG-CB 4.28Å; Y361-A365 WeakPolarHBondContact O-CB 3.34Å; Y361-A365 PolarHBondContact O-N 3.33Å; A365-E367 VanDerWaalsContact C-N 3.28Å; A365-E367 HydrophobicContact CB-CG 4.29Å; A365-E367 PolarHBondContact O-N 3.01Å; A365-L368 HydrophobicContact CB-CB 4.35Å; A365-L368 HydrophobicContact CB-CD1 4.07Å; A365-L368 HydrophobicContact CB-CG 4.03Å; A365-L368 PolarHBondContact O-N 2.77Å; A365-L368 VanDerWaalsContact O-N 3.15Å
366	P	90.3	Very high	93.2	Very high	66 Å²	66	25.8 Å²	25.8	43%	0.429	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-64.6	-33.3	180	18.9	-22	0	0	0	111.9	L368 E369	P366-L368 PolarHBondContact O-N 2.96Å; P366-L368 VanDerWaalsContact O-N 3.09Å; P366-E369 VanDerWaalsContact O-CB 3.23Å; P366-E369 WeakPolarHBondContact O-CB 3.49Å; P366-E369 PolarHBondContact O-N 2.63Å
367	E	87.6	Confident	92.9	Very high	89 Å²	89	26.6 Å²	26.6	42%	0.416	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-65.2	-11.7	175.2	66.1	-93	-145.1	0	0	114.2	Y361 A365 L371	Y361-E367 WeakPolarHBondContact CE2-OE1 3.29Å; Y361-E367 WeakPolarHBondContact OH-CG 3.38Å; Y361-E367 PolarHBondContact OH-OE1 2.68Å; A365-E367 VanDerWaalsContact C-N 3.28Å; A365-E367 HydrophobicContact CB-CG 4.29Å; A365-E367 PolarHBondContact O-N 3.01Å; E367-L371 WeakPolarHBondContact O-CD1 3.06Å
368	L	89.3	Confident	92.5	Very high	9 Å²	9	28.8 Å²	28.8	5%	0.047	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-100.3	8.9	174	-61.1	-177.7	0	0	0	112.9	Y361 C362 A365 P366 G370 L371 F376	Y361-L368 HydrophobicContact CD1-CD1 4.01Å; Y361-L368 HydrophobicContact CE1-CD1 3.68Å; Y361-L368 HydrophobicContact CE1-CG 4.36Å; C362-L368 HydrophobicContact CB-CD1 4.47Å; A365-L368 HydrophobicContact CB-CB 4.35Å; A365-L368 HydrophobicContact CB-CD1 4.07Å; A365-L368 HydrophobicContact CB-CG 4.03Å; A365-L368 PolarHBondContact O-N 2.77Å; A365-L368 VanDerWaalsContact O-N 3.15Å; P366-L368 PolarHBondContact O-N 2.96Å; P366-L368 VanDerWaalsContact O-N 3.09Å; L368-G370 PolarHBondContact O-N 3.4Å; L368-L371 HydrophobicContact CD2-CD1 4.46Å; L368-L371 PolarHBondContact O-N 3.06Å; L368-L371 VanDerWaalsContact O-N 3.12Å; L368-F376 HydrophobicContact CD1-CE1 4.22Å; L368-F376 HydrophobicContact CD1-CE2 4.45Å; L368-F376 HydrophobicContact CD1-CZ 3.9Å; L368-F376 HydrophobicContact CD2-CE1 4.22Å; L368-F376 HydrophobicContact CD2-CZ 3.71Å; L368-F376 HydrophobicContact CG-CZ 4.49Å
369	E	87.8	Confident	92	Very high	122 Å²	122	29 Å²	29	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	129.4	174.9	-172.2	157.1	-145.3	0	0	111.1	P366 L371	P366-E369 VanDerWaalsContact O-CB 3.23Å; P366-E369 WeakPolarHBondContact O-CB 3.49Å; P366-E369 PolarHBondContact O-N 2.63Å; E369-L371 PolarHBondContact O-N 3.3Å; E369-L371 VanDerWaalsContact O-N 3.09Å
370	G	85.9	Confident	91.5	Very high	59 Å²	59	31.1 Å²	31.1	61%	0.608	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	-10.2	-172.7	0	0	0	0	0	115.2	L368	L368-G370 PolarHBondContact O-N 3.4Å
371	L	89.3	Confident	91.1	Very high	79 Å²	79	38.8 Å²	38.8	41%	0.414	22%	0.218	S	C	.	.			trans	-94.6	132.3	-178.7	-56.1	-174.7	0	0	0	111.8	N319 E367 L368 E369 M374	N319-L371 PolarHBondContact ND2-O 3.17Å; E367-L371 WeakPolarHBondContact O-CD1 3.06Å; L368-L371 HydrophobicContact CD2-CD1 4.46Å; L368-L371 PolarHBondContact O-N 3.06Å; L368-L371 VanDerWaalsContact O-N 3.12Å; E369-L371 PolarHBondContact O-N 3.3Å; E369-L371 VanDerWaalsContact O-N 3.09Å; L371-M374 HydrophobicContact CB-CE 4.08Å
372	G	92.9	Very high	90.6	Very high	10 Å²	10	39.6 Å²	39.6	10%	0.103	23%	0.226	C	C	.	.			trans	-156.6	-172.7	176.8	0	0	0	0	0	112.9	H308 N319 M374	H308-G372 WeakPolarHBondContact CE1-CA 3.38Å; H308-G372 PolarHBondContact CE1-N 3.25Å; H308-G372 WeakPolarHBondContact ND1-CA 3.37Å; H308-G372 PolarHBondContact NE2-O 2.92Å; N319-G372 VanDerWaalsContact OD1-CA 3.27Å; N319-G372 WeakPolarHBondContact OD1-CA 3.28Å; G372-M374 VanDerWaalsContact C-N 3.3Å
373	G	93.8	Very high	90.3	Very high	30 Å²	30	45 Å²	45	31%	0.309	25%	0.253	S	S	.	.	S	Bend	trans	71.2	27.9	-178.4	0	0	0	0	0	112.6	N305 H308 S318 N319	N305-G373 PolarHBondContact OD1-O 3.4Å; H308-G373 PolarHBondContact CD2-N 3.06Å; S318-G373 PolarHBondContact O-N 2.83Å; N319-G373 PolarHBondContact OD1-N 2.85Å
374	M	95.2	Very high	90	Very high	29 Å²	29	45.5 Å²	45.5	14%	0.143	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.8	-175.3	-59	178.8	-163.7	0	0	111.3	N319 A320 L371 G372 F376 R381	N319-M374 WeakPolarHBondContact OD1-CB 3.05Å; N319-M374 PolarHBondContact OD1-N 3.35Å; N319-M374 PolarHBondContact OD1-O 3.32Å; A320-M374 PolarHBondContact N-O 3.17Å; L371-M374 HydrophobicContact CB-CE 4.08Å; G372-M374 VanDerWaalsContact C-N 3.3Å; M374-F376 HydrophobicContact CB-CD2 4.19Å; M374-F376 HydrophobicContact CB-CE2 3.54Å; M374-F376 HydrophobicContact CB-CZ 4.19Å; M374-F376 HydrophobicContact SD-CE2 4.36Å; M374-F376 HydrophobicContact SD-CZ 4.13Å; M374-R381 HydrophobicContact SD-CG 4.36Å
375	Y	94.6	Very high	89.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.9	172.9	176	-102.3	0	0	0	109.6	E261 H263 V301 A320 H322 C382 P384	E261-Y375 WeakPolarHBondContact OE1-CE1 3.2Å; E261-Y375 PolarHBondContact OE1-OH 3.07Å; H263-Y375 AromaticContact CE1-CE1 3.96Å; H263-Y375 AromaticContact CE1-CE2 3.94Å; H263-Y375 AromaticContact CE1-CZ 3.57Å; H263-Y375 AromaticContact ND1-CZ 3.93Å; V301-Y375 HydrophobicContact CG2-CD2 4.07Å; V301-Y375 HydrophobicContact CG2-CE2 4.25Å; A320-Y375 HydrophobicContact CB-CD2 4.03Å; A320-Y375 CarbonylContact O-C 3.59Å; A320-Y375 VanDerWaalsContact O-CA 3.28Å; A320-Y375 WeakPolarHBondContact O-CA 3.47Å; H322-Y375 HydrophobicContact CB-CE2 4.35Å; H322-Y375 VanDerWaalsContact CB-OH 3.29Å; H322-Y375 WeakPolarHBondContact CB-OH 3.38Å; Y375-C382 HydrophobicContact CD1-CB 3.8Å; Y375-C382 HydrophobicContact CE1-CB 4.13Å; Y375-C382 PolarHBondContact O-N 3.12Å; Y375-C382 VanDerWaalsContact O-O 3.11Å; Y375-P384 HydrophobicContact CD1-CB 4.23Å; Y375-P384 HydrophobicContact CG-CB 4.06Å
376	F	93.4	Very high	89.8	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145	-178.7	-70.1	-100.2	0	0	0	112.6	N319 A320 V321 H322 T358 Y361 C362 L368 M374 C380 R381	N319-F376 HydrophobicContact CB-CD2 4.3Å; N319-F376 HydrophobicContact CB-CE2 4.25Å; A320-F376 PolarHBondContact O-N 3.37Å; V321-F376 CarbonylContact C-O 3.47Å; V321-F376 WeakPolarHBondContact CA-O 3.41Å; V321-F376 HydrophobicContact CG1-CB 4.32Å; H322-F376 PolarHBondContact N-O 2.99Å; T358-F376 HydrophobicContact CG2-CB 3.58Å; Y361-F376 HydrophobicContact CD1-CD1 4.42Å; Y361-F376 HydrophobicContact CE1-CD1 4.22Å; Y361-F376 AromaticContact CE1-CE1 4Å; Y361-F376 HydrophobicContact CE1-CE1 4Å; C362-F376 WeakPolarHBondContact SG-CD2 3.25Å; C362-F376 WeakPolarHBondContact SG-CG 3.3Å; L368-F376 HydrophobicContact CD1-CE1 4.22Å; L368-F376 HydrophobicContact CD1-CE2 4.45Å; L368-F376 HydrophobicContact CD1-CZ 3.9Å; L368-F376 HydrophobicContact CD2-CE1 4.22Å; L368-F376 HydrophobicContact CD2-CZ 3.71Å; L368-F376 HydrophobicContact CG-CZ 4.49Å; M374-F376 HydrophobicContact CB-CD2 4.19Å; M374-F376 HydrophobicContact CB-CE2 3.54Å; M374-F376 HydrophobicContact CB-CZ 4.19Å; M374-F376 HydrophobicContact SD-CE2 4.36Å; M374-F376 HydrophobicContact SD-CZ 4.13Å; F376-C380 CarbonylContact C-O 3.55Å; F376-C380 VanDerWaalsContact CA-O 3.24Å; F376-C380 WeakPolarHBondContact CA-O 3.37Å; F376-C380 VanDerWaalsContact CD1-C 3.44Å; F376-R381 HydrophobicContact CD1-CB 4.29Å; F376-R381 HydrophobicContact CE1-CB 3.91Å; F376-R381 HydrophobicContact CZ-CB 4.31Å
377	N	86.4	Confident	90	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.8	171.5	-177.3	-8.2	0	0	0	108.1	E261 H322 C379 C380 C382	E261-N377 PolarHBondContact OE1-ND2 3.19Å; H322-N377 HydrophobicContact CB-CB 4.41Å; H322-N377 PolarHBondContact CD2-ND2 2.91Å; H322-N377 PolarHBondContact CD2-OD1 3.03Å; N377-C379 VanDerWaalsContact C-N 3.34Å; N377-C379 PolarHBondContact O-N 3.1Å; N377-C380 PolarHBondContact N-O 2.91Å; N377-C380 WeakPolarHBondContact O-CA 3.41Å; N377-C380 VanDerWaalsContact O-CB 3.23Å; N377-C380 WeakPolarHBondContact O-CB 3.32Å; N377-C380 PolarHBondContact O-N 3.14Å; N377-C380 VanDerWaalsContact O-O 3.14Å; N377-C382 HydrophobicContact CB-CB 4.5Å
378	N	85.1	Confident	90.3	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	49.5	-177.4	-58.5	-34.9	0	0	0	113.1	Q105 K350 T358 C380	Q105-N378 PolarHBondContact NE2-O 2.83Å; K350-N378 PolarHBondContact NZ-OD1 2.86Å; T358-N378 PolarHBondContact OG1-N 2.94Å; N378-C380 PolarHBondContact O-N 2.63Å
379	C	85.9	Confident	90.5	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.041	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	19.9	-176.5	-55.7	0	0	0	0	114.8	T358 Y361 N377	T358-C379 PolarHBondContact OG1-N 2.94Å; T358-C379 VanDerWaalsContact OG1-N 3.15Å; Y361-C379 HydrophobicContact CD1-CB 4.08Å; Y361-C379 HydrophobicContact CD2-CB 4.44Å; Y361-C379 WeakPolarHBondContact CE1-O 3.36Å; Y361-C379 HydrophobicContact CG-CB 4.01Å; N377-C379 VanDerWaalsContact C-N 3.34Å; N377-C379 PolarHBondContact O-N 3.1Å
380	C	85.8	Confident	90.9	Very high	45 Å²	45	45.2 Å²	45.2	30%	0.304	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	-174.2	-129	0	0	0	0	110.3	Q105 F376 N377 N378 C382	Q105-C380 PolarHBondContact NE2-SG 3.08Å; Q105-C380 PolarHBondContact OE1-SG 3Å; F376-C380 CarbonylContact C-O 3.55Å; F376-C380 VanDerWaalsContact CA-O 3.24Å; F376-C380 WeakPolarHBondContact CA-O 3.37Å; F376-C380 VanDerWaalsContact CD1-C 3.44Å; N377-C380 PolarHBondContact N-O 2.91Å; N377-C380 WeakPolarHBondContact O-CA 3.41Å; N377-C380 VanDerWaalsContact O-CB 3.23Å; N377-C380 WeakPolarHBondContact O-CB 3.32Å; N377-C380 PolarHBondContact O-N 3.14Å; N377-C380 VanDerWaalsContact O-O 3.14Å; N378-C380 PolarHBondContact O-N 2.63Å; C380-C382 PolarHBondContact O-N 3.35Å
381	R	89.9	Confident	91.3	Very high	161 Å²	161	47.8 Å²	47.8	61%	0.608	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.7	173.5	179.8	-178	171.6	175.5	-4.1	108.7	M374 F376	M374-R381 HydrophobicContact SD-CG 4.36Å; F376-R381 HydrophobicContact CD1-CB 4.29Å; F376-R381 HydrophobicContact CE1-CB 3.91Å; F376-R381 HydrophobicContact CZ-CB 4.31Å
382	C	86.8	Confident	91.7	Very high	40 Å²	40	50.9 Å²	50.9	27%	0.27	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.9	-179.2	-72	0	0	0	0	110.3	Y375 N377 C380	Y375-C382 HydrophobicContact CD1-CB 3.8Å; Y375-C382 HydrophobicContact CE1-CB 4.13Å; Y375-C382 PolarHBondContact O-N 3.12Å; Y375-C382 VanDerWaalsContact O-O 3.11Å; N377-C382 HydrophobicContact CB-CB 4.5Å; C380-C382 PolarHBondContact O-N 3.35Å
383	M	89.8	Confident	91.9	Very high	114 Å²	114	50.7 Å²	50.7	56%	0.562	27%	0.267	S	S	*	.			trans	-78.4	122.8	171.6	-67	-57.2	-66.4	0	0	109.7	R264	R264-M383 VanDerWaalsContact CZ-O 3.31Å; R264-M383 PolarHBondContact NH1-O 3.34Å; R264-M383 PolarHBondContact NH2-O 3.42Å
384	P	92.1	Very high	92.1	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.091	25%	0.254	C	S	.	.			trans	-75.4	178.6	174.8	34.2	-34	0	0	0	110.5	V301 Y375 A388 Q389	V301-P384 HydrophobicContact CG1-CB 4.03Å; V301-P384 HydrophobicContact CG1-CG 4.29Å; Y375-P384 HydrophobicContact CD1-CB 4.23Å; Y375-P384 HydrophobicContact CG-CB 4.06Å; P384-A388 HydrophobicContact CB-CB 3.86Å; P384-A388 HydrophobicContact CG-CB 4.27Å; P384-Q389 HydrophobicContact CG-CG 3.79Å; P384-Q389 PolarHBondContact O-NE2 3.46Å
385	S	91.8	Very high	92.3	Very high	10 Å²	10	52.9 Å²	52.9	7%	0.07	27%	0.266	C	S	.	.			trans	-56.1	155.9	176.2	69.2	0	0	0	0	112.4	H263 E387 A388 Q389	H263-S385 PolarHBondContact NE2-N 3.05Å; S385-E387 VanDerWaalsContact C-N 3.29Å; S385-E387 PolarHBondContact O-N 3.21Å; S385-A388 WeakPolarHBondContact O-CB 3.34Å; S385-A388 PolarHBondContact O-N 3.33Å; S385-A388 VanDerWaalsContact O-N 3.13Å; S385-A388 VanDerWaalsContact OG-CB 3.27Å; S385-A388 WeakPolarHBondContact OG-CB 2.98Å; S385-A388 PolarHBondContact OG-N 2.99Å; S385-Q389 PolarHBondContact O-N 3.14Å; S385-Q389 PolarHBondContact O-NE2 2.87Å
386	P	92.8	Very high	92.4	Very high	113 Å²	113	54.7 Å²	54.7	73%	0.734	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.1	175.9	-27.4	35.8	0	0	0	113.3	A388 Q389	P386-A388 VanDerWaalsContact C-N 3.32Å; P386-A388 PolarHBondContact O-N 3.39Å; P386-Q389 WeakPolarHBondContact O-CB 3.44Å; P386-Q389 PolarHBondContact O-N 3.47Å; P386-Q389 VanDerWaalsContact O-N 3.08Å
387	E	93	Very high	92.7	Very high	39 Å²	39	54.5 Å²	54.5	18%	0.182	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-63.9	-37.2	178.1	-170.3	173	-176.8	0	0	112	D267 I268 N269 L298 S385 Q389 S390	D267-E387 WeakPolarHBondContact CA-OE2 3.3Å; I268-E387 VanDerWaalsContact CG1-OE1 3.24Å; I268-E387 WeakPolarHBondContact CG1-OE1 3.07Å; I268-E387 PolarHBondContact N-OE1 2.89Å; N269-E387 PolarHBondContact N-OE1 2.93Å; L298-E387 HydrophobicContact CD2-CG 4.08Å; S385-E387 VanDerWaalsContact C-N 3.29Å; S385-E387 PolarHBondContact O-N 3.21Å; E387-Q389 PolarHBondContact O-N 2.65Å; E387-S390 VanDerWaalsContact O-CB 3.26Å; E387-S390 WeakPolarHBondContact O-CB 3.49Å; E387-S390 PolarHBondContact O-N 2.9Å
388	A	94.3	Very high	93.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-66.5	-13.9	175.5	0	0	0	0	0	114.3	L298 V301 N305 P384 S385 P386	L298-A388 HydrophobicContact CD1-CB 3.52Å; V301-A388 HydrophobicContact CB-CB 4.14Å; V301-A388 HydrophobicContact CG1-CB 3.84Å; N305-A388 PolarHBondContact ND2-O 3.37Å; P384-A388 HydrophobicContact CB-CB 3.86Å; P384-A388 HydrophobicContact CG-CB 4.27Å; S385-A388 WeakPolarHBondContact O-CB 3.34Å; S385-A388 PolarHBondContact O-N 3.33Å; S385-A388 VanDerWaalsContact O-N 3.13Å; S385-A388 VanDerWaalsContact OG-CB 3.27Å; S385-A388 WeakPolarHBondContact OG-CB 2.98Å; S385-A388 PolarHBondContact OG-N 2.99Å; P386-A388 VanDerWaalsContact C-N 3.32Å; P386-A388 PolarHBondContact O-N 3.39Å
389	Q	93.2	Very high	93.9	Very high	91 Å²	91	54.4 Å²	54.4	43%	0.425	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-95	-6.5	175.6	-61	174.2	65.7	0	0	112.2	P384 S385 P386 E387 E391	P384-Q389 HydrophobicContact CG-CG 3.79Å; P384-Q389 PolarHBondContact O-NE2 3.46Å; S385-Q389 PolarHBondContact O-N 3.14Å; S385-Q389 PolarHBondContact O-NE2 2.87Å; P386-Q389 WeakPolarHBondContact O-CB 3.44Å; P386-Q389 PolarHBondContact O-N 3.47Å; P386-Q389 VanDerWaalsContact O-N 3.08Å; E387-Q389 PolarHBondContact O-N 2.65Å; Q389-E391 PolarHBondContact O-N 3.09Å; Q389-E391 VanDerWaalsContact O-N 3.15Å
390	S	96.1	Very high	94.5	Very high	36 Å²	36	54.7 Å²	54.7	25%	0.252	29%	0.288	S	S	.	.			trans	-70.8	108	-179.9	177.3	0	0	0	0	111.1	E387 E392 T393 A394	E387-S390 VanDerWaalsContact O-CB 3.26Å; E387-S390 WeakPolarHBondContact O-CB 3.49Å; E387-S390 PolarHBondContact O-N 2.9Å; S390-E392 VanDerWaalsContact C-N 3.25Å; S390-E392 PolarHBondContact O-N 3.09Å; S390-T393 WeakPolarHBondContact CB-OG1 2.96Å; S390-T393 PolarHBondContact O-N 3.2Å; S390-T393 WeakPolarHBondContact OG-CB 3.31Å; S390-T393 PolarHBondContact OG-N 3.14Å; S390-T393 VanDerWaalsContact OG-N 3.11Å; S390-T393 PolarHBondContact OG-OG1 2.8Å; S390-A394 WeakPolarHBondContact O-CB 3.4Å; S390-A394 PolarHBondContact O-N 3.03Å
391	E	96.3	Very high	95.1	Very high	113 Å²	113	52.6 Å²	52.6	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-33.2	173.5	-62	-170.4	-176.9	0	0	112.6	Q389 A394 R395	Q389-E391 PolarHBondContact O-N 3.09Å; Q389-E391 VanDerWaalsContact O-N 3.15Å; E391-A394 PolarHBondContact O-N 3.18Å; E391-R395 WeakPolarHBondContact O-CB 3.3Å; E391-R395 WeakPolarHBondContact O-CG 2.97Å; E391-R395 PolarHBondContact O-N 2.74Å; E391-R395 IonicContact OE2-CZ 3.91Å; E391-R395 IonicContact OE2-NH1 2.88Å; E391-R395 PolarHBondContact OE2-NH1 3.25Å; E391-R395 IonicContact OE2-NH2 2.62Å
392	E	96.8	Very high	95.5	Very high	144 Å²	144	48.3 Å²	48.3	67%	0.673	26%	0.26	S	S	*	.	H	α-helix	trans	-64.1	-48.3	177.4	-176.8	176.2	-175.7	0	0	110.6	S390 A394 R395 A396	S390-E392 VanDerWaalsContact C-N 3.25Å; S390-E392 PolarHBondContact O-N 3.09Å; E392-A394 VanDerWaalsContact C-N 3.3Å; E392-A394 PolarHBondContact O-N 3.32Å; E392-R395 PolarHBondContact O-N 3.46Å; E392-A396 WeakPolarHBondContact O-CB 3.44Å; E392-A396 PolarHBondContact O-N 3.27Å
393	T	97.1	Very high	96.1	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-40.1	176	-52.2	0	0	0	0	110.7	I268 N269 L275 L302 S390 A396 L397	I268-T393 HydrophobicContact CD1-CG2 3.81Å; I268-T393 HydrophobicContact CG1-CG2 4.12Å; N269-T393 PolarHBondContact ND2-OG1 3.18Å; L275-T393 HydrophobicContact CD1-CG2 4.4Å; L302-T393 HydrophobicContact CD1-CG2 3.8Å; L302-T393 HydrophobicContact CD2-CG2 4.5Å; S390-T393 WeakPolarHBondContact CB-OG1 2.96Å; S390-T393 PolarHBondContact O-N 3.2Å; S390-T393 WeakPolarHBondContact OG-CB 3.31Å; S390-T393 PolarHBondContact OG-N 3.14Å; S390-T393 VanDerWaalsContact OG-N 3.11Å; S390-T393 PolarHBondContact OG-OG1 2.8Å; T393-A396 PolarHBondContact O-N 3.47Å; T393-L397 WeakPolarHBondContact O-CB 3.36Å; T393-L397 PolarHBondContact O-N 2.63Å
394	A	98.1	Very high	96.5	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-43.7	178.2	0	0	0	0	0	112.4	L302 E306 S390 E391 E392 L397 W398	L302-A394 HydrophobicContact CB-CB 4.16Å; L302-A394 HydrophobicContact CD2-CB 3.87Å; E306-A394 HydrophobicContact CB-CB 4.07Å; S390-A394 WeakPolarHBondContact O-CB 3.4Å; S390-A394 PolarHBondContact O-N 3.03Å; E391-A394 PolarHBondContact O-N 3.18Å; E392-A394 VanDerWaalsContact C-N 3.3Å; E392-A394 PolarHBondContact O-N 3.32Å; A394-L397 PolarHBondContact O-N 3.16Å; A394-W398 WeakPolarHBondContact O-CB 3.06Å; A394-W398 PolarHBondContact O-N 3.24Å
395	R	98.3	Very high	96.7	Very high	101 Å²	101	46.5 Å²	46.5	38%	0.381	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-42.9	173.9	-76	-172.6	-70.3	-95	3.4	112.1	E391 E392 W398 A399	E391-R395 WeakPolarHBondContact O-CB 3.3Å; E391-R395 WeakPolarHBondContact O-CG 2.97Å; E391-R395 PolarHBondContact O-N 2.74Å; E391-R395 IonicContact OE2-CZ 3.91Å; E391-R395 IonicContact OE2-NH1 2.88Å; E391-R395 PolarHBondContact OE2-NH1 3.25Å; E391-R395 IonicContact OE2-NH2 2.62Å; E392-R395 PolarHBondContact O-N 3.46Å; R395-W398 WeakPolarHBondContact O-CB 3.43Å; R395-W398 PolarHBondContact O-N 2.68Å; R395-A399 PolarHBondContact O-N 3.13Å
396	A	98.2	Very high	97	Very high	40 Å²	40	52.8 Å²	52.8	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.2	0	0	0	0	0	111.7	L275 E392 T393 A399 L400	L275-A396 HydrophobicContact CB-CB 4.14Å; L275-A396 HydrophobicContact CD2-CB 4.21Å; E392-A396 WeakPolarHBondContact O-CB 3.44Å; E392-A396 PolarHBondContact O-N 3.27Å; T393-A396 PolarHBondContact O-N 3.47Å; A396-A399 PolarHBondContact O-N 3.08Å; A396-L400 WeakPolarHBondContact O-CB 3.49Å; A396-L400 PolarHBondContact O-N 2.81Å
397	L	98.7	Very high	97.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-40.6	176.5	178.8	65.4	0	0	0	111.6	L275 L280 C299 L302 T393 A394 S401	L275-L397 VanDerWaalsContact CD2-CA 3.45Å; L275-L397 HydrophobicContact CD2-CB 3.98Å; L275-L397 HydrophobicContact CD2-CD1 4.19Å; L280-L397 HydrophobicContact CD1-CD1 3.86Å; C299-L397 HydrophobicContact CB-CD2 3.76Å; L302-L397 HydrophobicContact CB-CD2 3.85Å; L302-L397 HydrophobicContact CD1-CD2 4.13Å; T393-L397 WeakPolarHBondContact O-CB 3.36Å; T393-L397 PolarHBondContact O-N 2.63Å; A394-L397 PolarHBondContact O-N 3.16Å; L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 2.94Å; L397-S401 PolarHBondContact O-OG 3.22Å
398	W	98.7	Very high	97.2	Very high	9 Å²	9	51.8 Å²	51.8	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-52.7	174.7	-170.8	-72.3	0	0	0	111.2	F237 Q241 F303 E306 L307 R310 A394 R395 L400 S401 E402	F237-W398 HydrophobicContact CD2-CE3 4.48Å; F237-W398 HydrophobicContact CE2-CB 4.48Å; F237-W398 AromaticContact CE2-CD2 3.52Å; F237-W398 HydrophobicContact CE2-CD2 3.52Å; F237-W398 AromaticContact CE2-CE2 3.83Å; F237-W398 AromaticContact CE2-CE3 3.58Å; F237-W398 HydrophobicContact CE2-CE3 3.58Å; F237-W398 AromaticContact CE2-CG 3.94Å; F237-W398 HydrophobicContact CE2-CG 3.94Å; F237-W398 HydrophobicContact CE2-CH2 4.26Å; F237-W398 HydrophobicContact CE2-CZ2 4.2Å; F237-W398 AromaticContact CE2-CZ3 3.97Å; F237-W398 HydrophobicContact CE2-CZ3 3.97Å; F237-W398 AromaticContact CZ-CD2 3.87Å; F237-W398 HydrophobicContact CZ-CD2 3.87Å; F237-W398 AromaticContact CZ-CE2 3.76Å; F237-W398 HydrophobicContact CZ-CE3 4.36Å; F237-W398 HydrophobicContact CZ-CG 4.08Å; F237-W398 HydrophobicContact CZ-CZ2 4.19Å; F237-W398 AromaticContact CZ-NE1 3.89Å; Q241-W398 VanDerWaalsContact NE2-CZ2 3.35Å; F303-W398 HydrophobicContact CD2-CE3 4.25Å; F303-W398 AromaticContact CD2-CZ3 3.95Å; F303-W398 HydrophobicContact CD2-CZ3 3.95Å; F303-W398 HydrophobicContact CE2-CE3 4.45Å; F303-W398 HydrophobicContact CE2-CH2 4.38Å; F303-W398 AromaticContact CE2-CZ3 3.79Å; F303-W398 HydrophobicContact CE2-CZ3 3.79Å; E306-W398 HydrophobicContact CB-CE3 4Å; E306-W398 HydrophobicContact CG-CB 4.1Å; E306-W398 HydrophobicContact CG-CD2 3.86Å; E306-W398 HydrophobicContact CG-CE3 3.32Å; E306-W398 HydrophobicContact CG-CG 4.2Å; E306-W398 HydrophobicContact CG-CZ3 4.06Å; L307-W398 HydrophobicContact CB-CZ3 4.1Å; L307-W398 HydrophobicContact CD1-CH2 3.86Å; L307-W398 HydrophobicContact CD1-CZ3 4.17Å; R310-W398 VanDerWaalsContact CD-CZ2 3.49Å; A394-W398 WeakPolarHBondContact O-CB 3.06Å; A394-W398 PolarHBondContact O-N 3.24Å; R395-W398 WeakPolarHBondContact O-CB 3.43Å; R395-W398 PolarHBondContact O-N 2.68Å; W398-L400 VanDerWaalsContact C-N 3.35Å; W398-L400 PolarHBondContact O-N 3.47Å; W398-S401 WeakPolarHBondContact O-CB 3.36Å; W398-S401 PolarHBondContact O-N 3Å; W398-S401 VanDerWaalsContact O-N 3.1Å; W398-E402 VanDerWaalsContact CD1-CD 3.42Å; W398-E402 PolarHBondContact NE1-OE1 2.9Å; W398-E402 PolarHBondContact O-N 3.14Å
399	A	98.5	Very high	97.1	Very high	54 Å²	54	53.6 Å²	53.6	45%	0.446	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-40.9	-180	0	0	0	0	0	112.4	R395 A396 S401 R403	R395-A399 PolarHBondContact O-N 3.13Å; A396-A399 PolarHBondContact O-N 3.08Å; A399-S401 VanDerWaalsContact C-N 3.33Å; A399-S401 PolarHBondContact O-N 3.21Å; A399-R403 WeakPolarHBondContact O-CB 3.46Å; A399-R403 PolarHBondContact O-N 3.07Å
400	L	98.5	Very high	96.5	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-44.4	173	174.3	63.4	0	0	0	111.3	L275 F277 L280 A396 W398 R403 L404	L275-L400 HydrophobicContact CD2-CB 4.15Å; L275-L400 HydrophobicContact CD2-CD2 3.57Å; L275-L400 HydrophobicContact CG-CD2 4.24Å; F277-L400 HydrophobicContact CB-CD1 4.39Å; F277-L400 HydrophobicContact CB-CD2 4.29Å; F277-L400 HydrophobicContact CD2-CD1 4.21Å; F277-L400 HydrophobicContact CD2-CD2 4.18Å; F277-L400 HydrophobicContact CG-CD1 4.49Å; L280-L400 HydrophobicContact CD1-CD2 3.67Å; A396-L400 WeakPolarHBondContact O-CB 3.49Å; A396-L400 PolarHBondContact O-N 2.81Å; W398-L400 VanDerWaalsContact C-N 3.35Å; W398-L400 PolarHBondContact O-N 3.47Å; L400-R403 PolarHBondContact O-N 3.39Å; L400-L404 HydrophobicContact CD1-CD1 3.98Å; L400-L404 HydrophobicContact CD1-CG 4.01Å; L400-L404 HydrophobicContact CG-CD1 3.95Å; L400-L404 HydrophobicContact CG-CG 4.39Å; L400-L404 WeakPolarHBondContact O-CB 3.28Å; L400-L404 VanDerWaalsContact O-CG 3.27Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.28Å
401	S	98.7	Very high	94.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-44.2	-178.4	-57	0	0	0	0	111.7	H233 L397 W398 A399 L404 I405	H233-S401 PolarHBondContact NE2-OG 3.18Å; L397-S401 WeakPolarHBondContact O-CB 3.44Å; L397-S401 PolarHBondContact O-N 2.94Å; L397-S401 PolarHBondContact O-OG 3.22Å; W398-S401 WeakPolarHBondContact O-CB 3.36Å; W398-S401 PolarHBondContact O-N 3Å; W398-S401 VanDerWaalsContact O-N 3.1Å; A399-S401 VanDerWaalsContact C-N 3.33Å; A399-S401 PolarHBondContact O-N 3.21Å; S401-L404 PolarHBondContact O-N 3.29Å; S401-I405 WeakPolarHBondContact O-CD1 3.49Å; S401-I405 WeakPolarHBondContact O-CG1 3.34Å; S401-I405 PolarHBondContact O-N 3.29Å; S401-I405 VanDerWaalsContact O-N 3.12Å
402	E	98.4	Very high	92.9	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-47.6	174.5	-69.8	-179.6	148.4	0	0	111.5	F237 Q241 W398 I405 Q406	F237-E402 HydrophobicContact CE1-CG 3.86Å; F237-E402 HydrophobicContact CZ-CG 3.71Å; Q241-E402 PolarHBondContact NE2-OE1 3.09Å; Q241-E402 VanDerWaalsContact NE2-OE1 3.08Å; W398-E402 VanDerWaalsContact CD1-CD 3.42Å; W398-E402 PolarHBondContact NE1-OE1 2.9Å; W398-E402 PolarHBondContact O-N 3.14Å; E402-I405 PolarHBondContact O-N 2.86Å; E402-Q406 WeakPolarHBondContact O-CG 3.47Å; E402-Q406 PolarHBondContact O-N 3.26Å; E402-Q406 VanDerWaalsContact O-N 3.08Å
403	R	98.2	Very high	90.6	Very high	116 Å²	116	50.5 Å²	50.5	44%	0.438	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-47	178.8	178.2	173.8	61.6	94.6	-7.8	112.1	A399 L400 I405 Q406 E407	A399-R403 WeakPolarHBondContact O-CB 3.46Å; A399-R403 PolarHBondContact O-N 3.07Å; L400-R403 PolarHBondContact O-N 3.39Å; R403-I405 VanDerWaalsContact C-N 3.31Å; R403-I405 PolarHBondContact O-N 2.98Å; R403-Q406 PolarHBondContact O-N 2.98Å; R403-E407 WeakPolarHBondContact CD-OE1 3.31Å; R403-E407 HydrophobicContact CG-CG 4.26Å; R403-E407 WeakPolarHBondContact CG-OE1 3.44Å; R403-E407 IonicContact CZ-OE1 3.96Å; R403-E407 IonicContact NE-OE1 2.65Å; R403-E407 IonicContact NH1-OE1 3.71Å; R403-E407 PolarHBondContact NH1-OE1 3.5Å; R403-E407 IonicContact NH1-OE2 3.84Å; R403-E407 WeakPolarHBondContact O-CB 3.22Å; R403-E407 WeakPolarHBondContact O-CG 3.09Å; R403-E407 PolarHBondContact O-N 3.47Å
404	L	98.1	Very high	87.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-41.9	178.9	-73.5	172.4	0	0	0	111.5	L225 F229 L234 F277 L400 S401 E407 R408	L225-L404 HydrophobicContact CD2-CD2 4.41Å; F229-L404 HydrophobicContact CE1-CD1 3.96Å; F229-L404 HydrophobicContact CZ-CD1 4.13Å; L234-L404 HydrophobicContact CD1-CB 4.38Å; L234-L404 HydrophobicContact CD2-CB 4.18Å; F277-L404 HydrophobicContact CD2-CD1 4.01Å; F277-L404 HydrophobicContact CD2-CD2 4.45Å; F277-L404 HydrophobicContact CE2-CD1 3.61Å; F277-L404 HydrophobicContact CE2-CD2 3.83Å; F277-L404 HydrophobicContact CE2-CG 4.37Å; F277-L404 HydrophobicContact CZ-CD2 3.98Å; L400-L404 HydrophobicContact CD1-CD1 3.98Å; L400-L404 HydrophobicContact CD1-CG 4.01Å; L400-L404 HydrophobicContact CG-CD1 3.95Å; L400-L404 HydrophobicContact CG-CG 4.39Å; L400-L404 WeakPolarHBondContact O-CB 3.28Å; L400-L404 VanDerWaalsContact O-CG 3.27Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.28Å; S401-L404 PolarHBondContact O-N 3.29Å; L404-E407 PolarHBondContact O-N 3.41Å; L404-R408 WeakPolarHBondContact O-CB 3.13Å; L404-R408 VanDerWaalsContact O-CG 3.24Å; L404-R408 WeakPolarHBondContact O-CG 3.38Å; L404-R408 PolarHBondContact O-N 3.28Å
405	I	97.9	Very high	87.2	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-45.9	177.8	-70.5	159.6	0	0	0	110.9	L187 L234 F237 Y238 S401 E402 R403 R408 L409	L187-I405 HydrophobicContact CD1-CG1 4.43Å; L187-I405 HydrophobicContact CD2-CG1 4.39Å; L234-I405 HydrophobicContact CD1-CD1 4.05Å; L234-I405 HydrophobicContact CD1-CG1 3.97Å; L234-I405 HydrophobicContact CG-CG1 4.2Å; F237-I405 HydrophobicContact CD1-CD1 3.52Å; F237-I405 HydrophobicContact CE1-CD1 3.87Å; Y238-I405 HydrophobicContact CD2-CD1 3.86Å; Y238-I405 HydrophobicContact CD2-CG1 4.4Å; Y238-I405 HydrophobicContact CD2-CG2 3.72Å; Y238-I405 HydrophobicContact CE2-CG2 3.69Å; Y238-I405 HydrophobicContact CG-CD1 3.94Å; Y238-I405 HydrophobicContact CG-CG1 4.33Å; Y238-I405 HydrophobicContact CG-CG2 4.2Å; S401-I405 WeakPolarHBondContact O-CD1 3.49Å; S401-I405 WeakPolarHBondContact O-CG1 3.34Å; S401-I405 PolarHBondContact O-N 3.29Å; S401-I405 VanDerWaalsContact O-N 3.12Å; E402-I405 PolarHBondContact O-N 2.86Å; R403-I405 VanDerWaalsContact C-N 3.31Å; R403-I405 PolarHBondContact O-N 2.98Å; I405-R408 PolarHBondContact O-N 2.9Å; I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CG 4.44Å; I405-L409 WeakPolarHBondContact O-CB 3.46Å; I405-L409 WeakPolarHBondContact O-CG 3.24Å; I405-L409 PolarHBondContact O-N 3.02Å
406	Q	96.3	Very high	86.6	Confident	142 Å²	142	56.6 Å²	56.6	66%	0.664	35%	0.351	S	S	*	.	H	α-helix	trans	-60.4	-47.5	177.1	-70.6	174.2	-7.9	0	0	111.6	E402 R403 G410	E402-Q406 WeakPolarHBondContact O-CG 3.47Å; E402-Q406 PolarHBondContact O-N 3.26Å; E402-Q406 VanDerWaalsContact O-N 3.08Å; R403-Q406 PolarHBondContact O-N 2.98Å; Q406-G410 PolarHBondContact O-N 3.25Å
407	E	96.1	Very high	86	Confident	73 Å²	73	57.5 Å²	57.5	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-47.2	178.3	-72.7	171.3	-172.8	0	0	111.7	R403 L404 S411	R403-E407 WeakPolarHBondContact CD-OE1 3.31Å; R403-E407 HydrophobicContact CG-CG 4.26Å; R403-E407 WeakPolarHBondContact CG-OE1 3.44Å; R403-E407 IonicContact CZ-OE1 3.96Å; R403-E407 IonicContact NE-OE1 2.65Å; R403-E407 IonicContact NH1-OE1 3.71Å; R403-E407 PolarHBondContact NH1-OE1 3.5Å; R403-E407 IonicContact NH1-OE2 3.84Å; R403-E407 WeakPolarHBondContact O-CB 3.22Å; R403-E407 WeakPolarHBondContact O-CG 3.09Å; R403-E407 PolarHBondContact O-N 3.47Å; L404-E407 PolarHBondContact O-N 3.41Å; E407-S411 VanDerWaalsContact O-CB 3.3Å; E407-S411 WeakPolarHBondContact O-CB 3.4Å; E407-S411 PolarHBondContact O-N 3.28Å; E407-S411 PolarHBondContact O-OG 3.03Å
408	R	94.2	Very high	85.2	Confident	58 Å²	58	60.8 Å²	60.8	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-75.6	-32.3	-174.7	-61.3	-38.7	169	116.2	-6.2	113.6	L187 D223 G224 L225 L404 I405	L187-R408 HydrophobicContact CD1-CB 3.84Å; D223-R408 HydrophobicContact CB-CB 4.36Å; D223-R408 HydrophobicContact CB-CG 4.46Å; D223-R408 WeakPolarHBondContact O-CD 3.5Å; D223-R408 PolarHBondContact O-NH1 3.35Å; G224-R408 PolarHBondContact O-NH1 3.34Å; L225-R408 HydrophobicContact CD1-CG 4.41Å; L404-R408 WeakPolarHBondContact O-CB 3.13Å; L404-R408 VanDerWaalsContact O-CG 3.24Å; L404-R408 WeakPolarHBondContact O-CG 3.38Å; L404-R408 PolarHBondContact O-N 3.28Å; I405-R408 PolarHBondContact O-N 2.9Å
409	L	92.2	Very high	84.4	Confident	37 Å²	37	64 Å²	64	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-78	-38	173.7	-67.9	174.9	0	0	0	112	L187 R188 Y238 I405 S413	L187-L409 HydrophobicContact CB-CD2 3.87Å; L187-L409 HydrophobicContact CB-CG 4.44Å; L187-L409 HydrophobicContact CD1-CG 4.39Å; R188-L409 HydrophobicContact CG-CD2 4.28Å; Y238-L409 HydrophobicContact CE1-CD1 4.03Å; Y238-L409 HydrophobicContact CE2-CD1 4.37Å; Y238-L409 VanDerWaalsContact OH-CD1 3.29Å; Y238-L409 WeakPolarHBondContact OH-CD1 3.33Å; I405-L409 HydrophobicContact CG2-CD1 3.71Å; I405-L409 HydrophobicContact CG2-CG 4.44Å; I405-L409 WeakPolarHBondContact O-CB 3.46Å; I405-L409 WeakPolarHBondContact O-CG 3.24Å; I405-L409 PolarHBondContact O-N 3.02Å; L409-S413 PolarHBondContact O-OG 3.13Å
410	G	80.8	Confident	83.5	Confident	47 Å²	47	64.7 Å²	64.7	49%	0.485	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-41.6	177.5	0	0	0	0	0	113.1	Q406 Q412 S413	Q406-G410 PolarHBondContact O-N 3.25Å; G410-Q412 PolarHBondContact O-N 3.39Å; G410-Q412 VanDerWaalsContact O-N 3.17Å; G410-S413 WeakPolarHBondContact O-CB 3.44Å; G410-S413 PolarHBondContact O-N 3.07Å; G410-S413 PolarHBondContact O-OG 3.4Å
411	S	62.6	Low	82.4	Confident	91 Å²	91	68.4 Å²	68.4	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.6	-177.4	-55.2	0	0	0	0	114.9	E407	E407-S411 VanDerWaalsContact O-CB 3.3Å; E407-S411 WeakPolarHBondContact O-CB 3.4Å; E407-S411 PolarHBondContact O-N 3.28Å; E407-S411 PolarHBondContact O-OG 3.03Å
412	Q	54.5	Low	81.1	Confident	78 Å²	78	73.7 Å²	73.7	36%	0.364	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	10.4	174.9	-65	-157.8	-0.3	0	0	113.5	R188 G410	R188-Q412 PolarHBondContact NH2-O 2.61Å; G410-Q412 PolarHBondContact O-N 3.39Å; G410-Q412 VanDerWaalsContact O-N 3.17Å
413	S	49.3	Very low	79.7	Confident	103 Å²	103	73.9 Å²	73.9	72%	0.72	45%	0.454	S	S	*	.			trans	-103.2	-4.4	177.5	-47.6	0	0	0	0	113.1	L409 G410	L409-S413 PolarHBondContact O-OG 3.13Å; G410-S413 WeakPolarHBondContact O-CB 3.44Å; G410-S413 PolarHBondContact O-N 3.07Å; G410-S413 PolarHBondContact O-OG 3.4Å
414	G	36	Very low	78	Confident	127 Å²	127	70.1 Å²	70.1	100%	1.309	46%	0.455	S	S	*	.			trans	-118.7	0	169.4	0	0	0	0	0	109.6

Retrieved 414 of 414 residues in 482.2 ms (Link to these results)

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