A0A077Z3M2_TRITR Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A077Z3M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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	40.2	Very low	51.5	Low	230 Å²	230	95.2 Å²	95.2	100%	1.133	56%	0.557	S	S	*	*				0	112.9	0	-79.3	177.3	-118.7	0	0	108.1	V3	M1-V3 PolarHBondContact O-N 2.93Å
2	N	37.3	Very low	52.4	Low	125 Å²	125	100.4 Å²	100.4	67%	0.668	56%	0.56	S	S	*	*			trans	-74	120.3	-179.3	-101.9	-15	0	0	0	109.6	S4 S5	N2-S4 PolarHBondContact O-N 3.4Å; N2-S5 PolarHBondContact O-N 3.47Å
3	V	46.6	Very low	53.2	Low	122 Å²	122	92.9 Å²	92.9	74%	0.739	52%	0.518	S	S	*	.	H	α-helix	trans	-52.8	-26.9	176.7	-177.8	0	0	0	0	111.8	M1 C7	M1-V3 PolarHBondContact O-N 2.93Å; V3-C7 PolarHBondContact O-N 3.35Å
4	S	44.4	Very low	53.7	Low	82 Å²	82	96.4 Å²	96.4	57%	0.573	52%	0.519	S	S	*	.	H	α-helix	trans	-66	-36.1	176.8	58.6	0	0	0	0	114.4	N2 A8	N2-S4 PolarHBondContact O-N 3.4Å; S4-A8 PolarHBondContact O-N 3.17Å
5	S	50.4	Low	54.3	Low	68 Å²	68	101.5 Å²	101.5	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-73.4	-35.2	-179.3	87.1	0	0	0	0	111.6	N2 A8 T9	N2-S5 PolarHBondContact O-N 3.47Å; S5-A8 PolarHBondContact O-N 3.2Å; S5-T9 PolarHBondContact O-N 3.34Å; S5-T9 PolarHBondContact O-OG1 3.01Å; S5-T9 VanDerWaalsContact O-OG1 3.12Å
6	L	53.4	Low	54.7	Low	92 Å²	92	102.1 Å²	102.1	48%	0.482	54%	0.541	S	S	.	.	H	α-helix	trans	-65.6	-41.8	177.8	-133.2	91.8	0	0	0	111.6	R10	L6-R10 WeakPolarHBondContact O-CB 3.45Å; L6-R10 WeakPolarHBondContact O-CG 3.5Å; L6-R10 PolarHBondContact O-N 3.01Å
7	C	57.3	Low	55	Low	79 Å²	79	100.4 Å²	100.4	53%	0.534	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-41.8	175.5	-85.8	0	0	0	0	112.4	V3 R10 A11	V3-C7 PolarHBondContact O-N 3.35Å; C7-R10 PolarHBondContact O-N 2.6Å; C7-A11 WeakPolarHBondContact O-CB 3.38Å; C7-A11 PolarHBondContact O-N 3.46Å
8	A	57.7	Low	55.2	Low	52 Å²	52	96.6 Å²	96.6	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-41.2	178.6	0	0	0	0	0	112.2	S4 S5 A11 R12	S4-A8 PolarHBondContact O-N 3.17Å; S5-A8 PolarHBondContact O-N 3.2Å; A8-A11 PolarHBondContact O-N 3.02Å; A8-R12 PolarHBondContact O-N 3.37Å; A8-R12 VanDerWaalsContact O-N 3.09Å
9	T	58.4	Low	55.4	Low	37 Å²	37	94.4 Å²	94.4	23%	0.227	53%	0.527	C	S	.	.	H	α-helix	trans	-63.4	-46.7	174.5	-60.2	0	0	0	0	111.1	S5 A11 R12 L13 L30	S5-T9 PolarHBondContact O-N 3.34Å; S5-T9 PolarHBondContact O-OG1 3.01Å; S5-T9 VanDerWaalsContact O-OG1 3.12Å; T9-A11 PolarHBondContact O-N 3.17Å; T9-R12 PolarHBondContact O-N 3.28Å; T9-L13 HydrophobicContact CG2-CD1 3.78Å; T9-L13 HydrophobicContact CG2-CG 4.24Å; T9-L13 VanDerWaalsContact O-CG 3.3Å; T9-L13 WeakPolarHBondContact O-CG 3.39Å; T9-L13 PolarHBondContact O-N 3.12Å; T9-L30 HydrophobicContact CG2-CB 3.75Å
10	R	60.7	Low	55.3	Low	103 Å²	103	95.2 Å²	95.2	39%	0.389	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-43.3	177	-75.6	-179.8	174.4	173.9	1.5	112.7	L6 C7 L13 R14 V23	L6-R10 WeakPolarHBondContact O-CB 3.45Å; L6-R10 WeakPolarHBondContact O-CG 3.5Å; L6-R10 PolarHBondContact O-N 3.01Å; C7-R10 PolarHBondContact O-N 2.6Å; R10-L13 PolarHBondContact O-N 3.14Å; R10-R14 WeakPolarHBondContact O-CG 3.3Å; R10-R14 PolarHBondContact O-N 3.12Å; R10-V23 HydrophobicContact CG-CG1 3.8Å
11	A	60.5	Low	55.1	Low	57 Å²	57	96.9 Å²	96.9	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-41.1	178.1	0	0	0	0	0	112.1	C7 A8 T9 H15	C7-A11 WeakPolarHBondContact O-CB 3.38Å; C7-A11 PolarHBondContact O-N 3.46Å; A8-A11 PolarHBondContact O-N 3.02Å; T9-A11 PolarHBondContact O-N 3.17Å; A11-H15 PolarHBondContact O-N 3.41Å; A11-H15 VanDerWaalsContact O-N 3.12Å
12	R	61.7	Low	55.7	Low	158 Å²	158	90.7 Å²	90.7	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-69.2	-39.2	176.4	-74.9	-175.3	-177.6	-164	0.9	112.8	A8 T9 H15 L16	A8-R12 PolarHBondContact O-N 3.37Å; A8-R12 VanDerWaalsContact O-N 3.09Å; T9-R12 PolarHBondContact O-N 3.28Å; R12-H15 WeakPolarHBondContact O-CB 3.44Å; R12-H15 PolarHBondContact O-N 2.98Å; R12-H15 VanDerWaalsContact O-N 3.14Å; R12-L16 PolarHBondContact O-N 3.09Å
13	L	62.9	Low	56.3	Low	3 Å²	3	86 Å²	86	2%	0.016	48%	0.478	C	S	.	.	H	α-helix	trans	-66.2	-38.1	176.7	-68.2	172.4	0	0	0	111.8	T9 R10 H15 L16 M18 V23 F28 V35	T9-L13 HydrophobicContact CG2-CD1 3.78Å; T9-L13 HydrophobicContact CG2-CG 4.24Å; T9-L13 VanDerWaalsContact O-CG 3.3Å; T9-L13 WeakPolarHBondContact O-CG 3.39Å; T9-L13 PolarHBondContact O-N 3.12Å; R10-L13 PolarHBondContact O-N 3.14Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.4Å; L13-L16 HydrophobicContact CD2-CD1 4.46Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-L16 VanDerWaalsContact O-N 3.12Å; L13-M18 HydrophobicContact CB-SD 4.34Å; L13-M18 HydrophobicContact CD2-SD 3.8Å; L13-M18 PolarHBondContact O-N 3.03Å; L13-V23 HydrophobicContact CB-CG2 4.13Å; L13-V23 HydrophobicContact CD1-CG1 3.96Å; L13-V23 HydrophobicContact CD1-CG2 4.35Å; L13-F28 HydrophobicContact CD1-CB 4.32Å; L13-V35 HydrophobicContact CD2-CG1 4.4Å; L13-V35 HydrophobicContact CD2-CG2 3.9Å
14	R	60	Low	56.3	Low	141 Å²	141	89.5 Å²	89.5	53%	0.532	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-39	169.9	-74.9	-179.2	-176.5	174.2	2.7	111.9	R10 L16 G17 E20	R10-R14 WeakPolarHBondContact O-CG 3.3Å; R10-R14 PolarHBondContact O-N 3.12Å; R14-L16 PolarHBondContact O-N 2.91Å; R14-G17 PolarHBondContact O-N 3.24Å; R14-E20 IonicContact CZ-OE1 3.41Å; R14-E20 IonicContact NE-OE1 3.4Å; R14-E20 PolarHBondContact NE-OE1 3.41Å; R14-E20 IonicContact NH1-OE1 3.68Å; R14-E20 VanDerWaalsContact NH2-CD 3.31Å; R14-E20 IonicContact NH2-OE1 3.04Å; R14-E20 PolarHBondContact NH2-OE1 3.49Å; R14-E20 IonicContact NH2-OE2 2.89Å
15	H	62.4	Low	56.7	Low	173 Å²	173	87.7 Å²	87.7	80%	0.801	47%	0.469	S	S	*	.	H	α-helix	trans	-67.1	-20.4	178	-138.5	-44.1	0	0	0	113.4	A11 R12 L13 G17	A11-H15 PolarHBondContact O-N 3.41Å; A11-H15 VanDerWaalsContact O-N 3.12Å; R12-H15 WeakPolarHBondContact O-CB 3.44Å; R12-H15 PolarHBondContact O-N 2.98Å; R12-H15 VanDerWaalsContact O-N 3.14Å; L13-H15 VanDerWaalsContact C-N 3.28Å; L13-H15 PolarHBondContact O-N 3.4Å; H15-G17 VanDerWaalsContact C-N 3.31Å
16	L	61.8	Low	57.1	Low	112 Å²	112	89.2 Å²	89.2	59%	0.586	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	6.4	172.9	-69.6	165.6	0	0	0	113.1	R12 L13 R14 V35	R12-L16 PolarHBondContact O-N 3.09Å; L13-L16 HydrophobicContact CD2-CD1 4.46Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 3.41Å; L13-L16 VanDerWaalsContact O-N 3.12Å; R14-L16 PolarHBondContact O-N 2.91Å; L16-V35 HydrophobicContact CD1-CG2 3.89Å
17	G	59.5	Low	58.2	Low	72 Å²	72	90.1 Å²	90.1	74%	0.742	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	14.1	174.6	0	0	0	0	0	115.2	R14 H15	R14-G17 PolarHBondContact O-N 3.24Å; H15-G17 VanDerWaalsContact C-N 3.31Å
18	M	58.3	Low	59.6	Low	32 Å²	32	88 Å²	88	16%	0.158	46%	0.457	C	S	.	.			trans	-82.2	135.1	-179.2	-59.3	-175	75	0	0	111.8	L13 V23 F28	L13-M18 HydrophobicContact CB-SD 4.34Å; L13-M18 HydrophobicContact CD2-SD 3.8Å; L13-M18 PolarHBondContact O-N 3.03Å; M18-V23 HydrophobicContact CB-CG2 4.3Å; M18-F28 HydrophobicContact CE-CD1 3.47Å; M18-F28 VanDerWaalsContact CE-CD1 3.47Å; M18-F28 HydrophobicContact CE-CD2 3.84Å; M18-F28 HydrophobicContact CE-CE1 3.17Å; M18-F28 HydrophobicContact CE-CE2 3.59Å; M18-F28 HydrophobicContact CE-CG 3.81Å; M18-F28 HydrophobicContact CE-CZ 3.25Å; M18-F28 HydrophobicContact SD-CD1 4.46Å
19	A	58.9	Low	61.2	Low	55 Å²	55	88 Å²	88	46%	0.455	45%	0.448	S	S	.	.			trans	-67.5	145.8	-179.9	0	0	0	0	0	111.4	D21 E22 V23	A19-D21 PolarHBondContact O-N 3.02Å; A19-D21 VanDerWaalsContact O-N 3.15Å; A19-E22 HydrophobicContact CB-CG 4.36Å; A19-E22 WeakPolarHBondContact O-CB 3.33Å; A19-E22 PolarHBondContact O-N 3.15Å; A19-V23 PolarHBondContact O-N 3.29Å
20	E	52.9	Low	62.8	Low	111 Å²	111	88 Å²	88	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-58.8	-31	-176	-69.8	-167.8	167	0	0	113.9	R14 V23 R24	R14-E20 IonicContact CZ-OE1 3.41Å; R14-E20 IonicContact NE-OE1 3.4Å; R14-E20 PolarHBondContact NE-OE1 3.41Å; R14-E20 IonicContact NH1-OE1 3.68Å; R14-E20 VanDerWaalsContact NH2-CD 3.31Å; R14-E20 IonicContact NH2-OE1 3.04Å; R14-E20 PolarHBondContact NH2-OE1 3.49Å; R14-E20 IonicContact NH2-OE2 2.89Å; E20-V23 PolarHBondContact O-N 3.12Å; E20-R24 PolarHBondContact O-N 3.36Å
21	D	52.1	Low	64.4	Low	130 Å²	130	84 Å²	84	70%	0.695	43%	0.433	S	S	*	.	H	α-helix	trans	-71.5	-30.7	178.1	-69.7	-32.7	0	0	0	112.5	A19 V23 R24	A19-D21 PolarHBondContact O-N 3.02Å; A19-D21 VanDerWaalsContact O-N 3.15Å; D21-V23 VanDerWaalsContact C-N 3.31Å; D21-V23 PolarHBondContact O-N 3.03Å; D21-R24 PolarHBondContact O-N 3.4Å
22	E	52	Low	65.9	Low	100 Å²	100	89.8 Å²	89.8	47%	0.467	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-32.9	174.3	-67.5	-176.7	148.3	0	0	111.5	A19 F28	A19-E22 HydrophobicContact CB-CG 4.36Å; A19-E22 WeakPolarHBondContact O-CB 3.33Å; A19-E22 PolarHBondContact O-N 3.15Å; E22-F28 HydrophobicContact CB-CE2 4.03Å; E22-F28 VanDerWaalsContact O-CD2 3.29Å; E22-F28 WeakPolarHBondContact O-CD2 3.4Å; E22-F28 VanDerWaalsContact O-CE2 3.27Å; E22-F28 WeakPolarHBondContact O-CE2 3.41Å
23	V	50	Low	67.3	Low	26 Å²	26	84.4 Å²	84.4	16%	0.158	44%	0.436	C	S	.	.	H	α-helix	trans	-78.9	-19	179.9	-175.7	0	0	0	0	112.5	R10 L13 M18 A19 E20 D21	R10-V23 HydrophobicContact CG-CG1 3.8Å; L13-V23 HydrophobicContact CB-CG2 4.13Å; L13-V23 HydrophobicContact CD1-CG1 3.96Å; L13-V23 HydrophobicContact CD1-CG2 4.35Å; M18-V23 HydrophobicContact CB-CG2 4.3Å; A19-V23 PolarHBondContact O-N 3.29Å; E20-V23 PolarHBondContact O-N 3.12Å; D21-V23 VanDerWaalsContact C-N 3.31Å; D21-V23 PolarHBondContact O-N 3.03Å
24	R	47.1	Very low	68.7	Low	196 Å²	196	87 Å²	87	74%	0.74	45%	0.448	S	S	*	.	H	α-helix	trans	-86.5	-28.6	-175.9	-118.8	178	179.8	177.1	0.7	113.9	E20 D21	E20-R24 PolarHBondContact O-N 3.36Å; D21-R24 PolarHBondContact O-N 3.4Å
25	A	53.1	Low	70.2	Confident	45 Å²	45	81.3 Å²	81.3	37%	0.372	43%	0.429	S	S	.	.	S	Bend	trans	-75.7	135.3	161.7	0	0	0	0	0	107.6	K27	A25-K27 HydrophobicContact CB-CD 4.4Å; A25-K27 HydrophobicContact CB-CG 4.14Å; A25-K27 PolarHBondContact O-N 3.07Å
26	T	59.4	Low	71.8	Confident	100 Å²	100	73 Å²	73	61%	0.613	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	26.7	-177.9	29	0	0	0	0	115.5	G39	T26-G39 WeakPolarHBondContact O-CA 3.29Å
27	K	76.2	Confident	73.4	Confident	111 Å²	111	72.1 Å²	72.1	48%	0.483	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.4	-174.8	-69.3	-175.2	178.1	-177	0	113.5	A25 E37 V38 G39	A25-K27 HydrophobicContact CB-CD 4.4Å; A25-K27 HydrophobicContact CB-CG 4.14Å; A25-K27 PolarHBondContact O-N 3.07Å; K27-E37 CarbonylContact O-C 3.53Å; K27-E37 WeakPolarHBondContact O-CA 3.44Å; K27-V38 PolarHBondContact O-N 3.48Å; K27-G39 PolarHBondContact O-N 2.88Å
28	F	86.2	Confident	75.1	Confident	34 Å²	34	69 Å²	69	15%	0.149	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.9	-169.9	-54	-87.2	0	0	0	112.5	L13 M18 E22 V35 F36 E37	L13-F28 HydrophobicContact CD1-CB 4.32Å; M18-F28 HydrophobicContact CE-CD1 3.47Å; M18-F28 VanDerWaalsContact CE-CD1 3.47Å; M18-F28 HydrophobicContact CE-CD2 3.84Å; M18-F28 HydrophobicContact CE-CE1 3.17Å; M18-F28 HydrophobicContact CE-CE2 3.59Å; M18-F28 HydrophobicContact CE-CG 3.81Å; M18-F28 HydrophobicContact CE-CZ 3.25Å; M18-F28 HydrophobicContact SD-CD1 4.46Å; E22-F28 HydrophobicContact CB-CE2 4.03Å; E22-F28 VanDerWaalsContact O-CD2 3.29Å; E22-F28 WeakPolarHBondContact O-CD2 3.4Å; E22-F28 VanDerWaalsContact O-CE2 3.27Å; E22-F28 WeakPolarHBondContact O-CE2 3.41Å; F28-V35 HydrophobicContact CD1-CG1 3.84Å; F28-F36 WeakPolarHBondContact CA-O 3.27Å; F28-E37 HydrophobicContact CD1-CB 4.24Å; F28-E37 HydrophobicContact CD1-CG 3.64Å; F28-E37 HydrophobicContact CE1-CB 4.08Å; F28-E37 VanDerWaalsContact CE1-CD 3.46Å; F28-E37 HydrophobicContact CE1-CG 3.49Å; F28-E37 VanDerWaalsContact CE1-CG 3.49Å
29	E	91.4	Very high	76.7	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.7	166.7	-71.6	-171.6	-138.1	0	0	109.9	F36 H43 S44 L45	E29-F36 PolarHBondContact N-O 2.67Å; E29-F36 VanDerWaalsContact N-O 3.07Å; E29-F36 PolarHBondContact O-N 3.15Å; E29-H43 VanDerWaalsContact OE1-CA 3.25Å; E29-H43 WeakPolarHBondContact OE1-CA 3.5Å; E29-S44 PolarHBondContact OE1-N 2.84Å; E29-L45 HydrophobicContact CB-CD2 4.17Å; E29-L45 HydrophobicContact CG-CD1 4.48Å; E29-L45 PolarHBondContact OE2-N 3.4Å
30	L	92.7	Very high	78.4	Confident	35 Å²	35	69.3 Å²	69.3	18%	0.183	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.3	-179.7	-171.9	80.5	0	0	0	109.9	T9 Q34 V35	T9-L30 HydrophobicContact CG2-CB 3.75Å; L30-Q34 WeakPolarHBondContact CA-O 3.43Å; L30-V35 HydrophobicContact CD1-CG2 4.04Å
31	I	94	Very high	80.4	Confident	20 Å²	20	67.7 Å²	67.7	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.4	177.9	-57.1	-62.9	0	0	0	108.8	G33 Q34 F36 L45 Y47 M55 V57	I31-G33 PolarHBondContact O-N 2.95Å; I31-Q34 PolarHBondContact N-O 3.02Å; I31-Q34 PolarHBondContact O-N 2.92Å; I31-F36 HydrophobicContact CB-CD2 4.22Å; I31-F36 HydrophobicContact CB-CE2 4.18Å; I31-F36 HydrophobicContact CG1-CD2 4.28Å; I31-L45 HydrophobicContact CD1-CB 3.7Å; I31-L45 HydrophobicContact CG1-CB 3.85Å; I31-L45 HydrophobicContact CG1-CD2 4.17Å; I31-Y47 HydrophobicContact CG2-CD2 4.41Å; I31-M55 HydrophobicContact CB-SD 4.23Å; I31-M55 HydrophobicContact CG2-SD 3.83Å; I31-V57 HydrophobicContact CB-CG1 4.33Å; I31-V57 HydrophobicContact CG1-CG1 4.25Å; I31-V57 HydrophobicContact CG2-CG1 3.97Å
32	R	91.9	Very high	82.5	Confident	178 Å²	178	61.8 Å²	61.8	67%	0.672	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	33.8	-179	-63.3	-169.1	170.1	-161	-3.9	114.3	Y47 M55	R32-Y47 HydrophobicContact CG-CD2 4.33Å; R32-Y47 VanDerWaalsContact CZ-CE1 3.45Å; R32-M55 HydrophobicContact CB-CE 4.01Å
33	G	90.7	Very high	84.6	Confident	45 Å²	45	59.5 Å²	59.5	46%	0.464	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-4.6	179.3	0	0	0	0	0	115.3	I31	I31-G33 PolarHBondContact O-N 2.95Å
34	Q	91.7	Very high	86.7	Confident	58 Å²	58	61.7 Å²	61.7	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.1	172.2	-63.1	-171.9	11.2	0	0	110.8	L30 I31 F36 E50 M55	L30-Q34 WeakPolarHBondContact CA-O 3.43Å; I31-Q34 PolarHBondContact N-O 3.02Å; I31-Q34 PolarHBondContact O-N 2.92Å; Q34-F36 HydrophobicContact CB-CE2 4.35Å; Q34-E50 PolarHBondContact NE2-OE1 2.84Å; Q34-M55 HydrophobicContact CB-CE 4.35Å; Q34-M55 HydrophobicContact CG-CE 3.95Å
35	V	93.2	Very high	89	Confident	21 Å²	21	53.1 Å²	53.1	13%	0.127	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.1	176.3	-178.9	0	0	0	0	109.5	L13 L16 F28 L30 E37 K72	L13-V35 HydrophobicContact CD2-CG1 4.4Å; L13-V35 HydrophobicContact CD2-CG2 3.9Å; L16-V35 HydrophobicContact CD1-CG2 3.89Å; F28-V35 HydrophobicContact CD1-CG1 3.84Å; L30-V35 HydrophobicContact CD1-CG2 4.04Å; V35-E37 HydrophobicContact CG1-CG 4.06Å; V35-K72 PolarHBondContact O-NZ 2.74Å
36	F	95.2	Very high	91.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.6	171.6	-84.2	-105.8	0	0	0	109.8	F28 E29 I31 Q34 V38 L45 M55 V57 K72 Y119	F28-F36 WeakPolarHBondContact CA-O 3.27Å; E29-F36 PolarHBondContact N-O 2.67Å; E29-F36 VanDerWaalsContact N-O 3.07Å; E29-F36 PolarHBondContact O-N 3.15Å; I31-F36 HydrophobicContact CB-CD2 4.22Å; I31-F36 HydrophobicContact CB-CE2 4.18Å; I31-F36 HydrophobicContact CG1-CD2 4.28Å; Q34-F36 HydrophobicContact CB-CE2 4.35Å; F36-V38 HydrophobicContact CB-CG1 4.5Å; F36-V38 HydrophobicContact CB-CG2 4.41Å; F36-V38 HydrophobicContact CD1-CG1 4.32Å; F36-V38 PolarHBondContact O-N 3.27Å; F36-L45 HydrophobicContact CB-CD2 3.43Å; F36-L45 VanDerWaalsContact CB-CD2 3.43Å; F36-L45 HydrophobicContact CD1-CD2 3.78Å; F36-L45 HydrophobicContact CD2-CD2 4.38Å; F36-L45 HydrophobicContact CG-CD2 3.61Å; F36-M55 HydrophobicContact CE2-CB 4.45Å; F36-M55 HydrophobicContact CE2-CG 4.3Å; F36-M55 HydrophobicContact CE2-SD 3.79Å; F36-M55 HydrophobicContact CZ-CB 4.04Å; F36-M55 HydrophobicContact CZ-CG 4.04Å; F36-M55 HydrophobicContact CZ-SD 4.14Å; F36-V57 HydrophobicContact CD1-CG2 3.91Å; F36-V57 HydrophobicContact CE1-CB 4.34Å; F36-V57 HydrophobicContact CE1-CG1 3.86Å; F36-V57 HydrophobicContact CE1-CG2 3.51Å; F36-V57 HydrophobicContact CE2-CG1 3.99Å; F36-V57 HydrophobicContact CZ-CB 4.47Å; F36-V57 HydrophobicContact CZ-CG1 3.52Å; F36-V57 HydrophobicContact CZ-CG2 4.1Å; F36-K72 HydrophobicContact CD1-CB 4.36Å; F36-K72 HydrophobicContact CD2-CD 4.47Å; F36-K72 HydrophobicContact CE1-CB 3.57Å; F36-K72 HydrophobicContact CE1-CD 4.46Å; F36-K72 HydrophobicContact CE2-CB 4.46Å; F36-K72 HydrophobicContact CE2-CD 4.18Å; F36-K72 HydrophobicContact CZ-CB 3.62Å; F36-K72 HydrophobicContact CZ-CD 4.17Å; F36-K72 HydrophobicContact CZ-CG 4.49Å; F36-Y119 HydrophobicContact CB-CE1 4.38Å; F36-Y119 AromaticContact CD1-CD1 3.92Å; F36-Y119 HydrophobicContact CD1-CD1 3.92Å; F36-Y119 AromaticContact CD1-CE1 3.76Å; F36-Y119 HydrophobicContact CD1-CE1 3.76Å; F36-Y119 HydrophobicContact CE1-CD1 4.28Å; F36-Y119 HydrophobicContact CE1-CE1 4.31Å; F36-Y119 HydrophobicContact CG-CE1 4.19Å
37	E	94.3	Very high	92.8	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	60.9	-177.7	-48.1	-168	-176.1	0	0	111.1	K27 F28 V35 Y119	K27-E37 CarbonylContact O-C 3.53Å; K27-E37 WeakPolarHBondContact O-CA 3.44Å; F28-E37 HydrophobicContact CD1-CB 4.24Å; F28-E37 HydrophobicContact CD1-CG 3.64Å; F28-E37 HydrophobicContact CE1-CB 4.08Å; F28-E37 VanDerWaalsContact CE1-CD 3.46Å; F28-E37 HydrophobicContact CE1-CG 3.49Å; F28-E37 VanDerWaalsContact CE1-CG 3.49Å; V35-E37 HydrophobicContact CG1-CG 4.06Å; E37-Y119 HydrophobicContact CB-CE2 4.2Å; E37-Y119 PolarHBondContact N-OH 3.21Å; E37-Y119 VanDerWaalsContact N-OH 3.15Å
38	V	95.2	Very high	93.6	Very high	6 Å²	6	50 Å²	50	4%	0.036	26%	0.262	C	S	.	.			trans	-116.8	-6.6	-168.5	-56.9	0	0	0	0	113.9	K27 F36 Y42 L45 I70 I107 Y119	K27-V38 PolarHBondContact O-N 3.48Å; F36-V38 HydrophobicContact CB-CG1 4.5Å; F36-V38 HydrophobicContact CB-CG2 4.41Å; F36-V38 HydrophobicContact CD1-CG1 4.32Å; F36-V38 PolarHBondContact O-N 3.27Å; V38-Y42 HydrophobicContact CB-CD2 4.45Å; V38-Y42 WeakPolarHBondContact O-CD2 3.25Å; V38-Y42 PolarHBondContact O-N 2.93Å; V38-L45 HydrophobicContact CG2-CD1 3.95Å; V38-L45 HydrophobicContact CG2-CD2 3.97Å; V38-L45 HydrophobicContact CG2-CG 4.49Å; V38-I70 HydrophobicContact CB-CD1 4.3Å; V38-I70 HydrophobicContact CG1-CD1 4.42Å; V38-I70 HydrophobicContact CG1-CG2 4.26Å; V38-I70 HydrophobicContact CG2-CD1 4.26Å; V38-I107 HydrophobicContact CB-CD1 3.71Å; V38-I107 HydrophobicContact CG1-CD1 3.79Å; V38-Y119 HydrophobicContact CG1-CD1 3.46Å; V38-Y119 VanDerWaalsContact CG1-CD1 3.46Å; V38-Y119 HydrophobicContact CG1-CD2 4.21Å; V38-Y119 HydrophobicContact CG1-CE1 3.87Å; V38-Y119 HydrophobicContact CG1-CG 3.66Å
39	G	93.3	Very high	93.7	Very high	18 Å²	18	49.3 Å²	49.3	19%	0.186	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	166.5	177.5	0	0	0	0	0	113.3	T26 K27	T26-G39 WeakPolarHBondContact O-CA 3.29Å; K27-G39 PolarHBondContact O-N 2.88Å
40	P	93.4	Very high	93.3	Very high	76 Å²	76	52.1 Å²	52.1	49%	0.494	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.7	-11.7	6.1	33.3	-36	0	0	0	114.2	Q62	P40-Q62 PolarHBondContact O-OE1 3.04Å
41	R	95.5	Very high	92.3	Very high	78 Å²	78	52.7 Å²	52.7	29%	0.294	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-44.1	-174.5	177.6	175	174.9	-167.9	-9.2	112.9	D61 Q62 D105	R41-D61 WeakPolarHBondContact CG-OD1 3.34Å; R41-D61 IonicContact CZ-OD1 3.77Å; R41-D61 IonicContact CZ-OD2 2.95Å; R41-D61 IonicContact NE-OD1 2.93Å; R41-D61 PolarHBondContact NE-OD1 2.91Å; R41-D61 IonicContact NE-OD2 3.81Å; R41-D61 PolarHBondContact NE-OD2 3.31Å; R41-D61 IonicContact NH2-OD1 3.03Å; R41-D61 IonicContact NH2-OD2 3.33Å; R41-D61 PolarHBondContact NH2-OD2 2.87Å; R41-Q62 WeakPolarHBondContact O-CB 3.34Å; R41-Q62 PolarHBondContact O-N 2.9Å; R41-D105 IonicContact CZ-OD2 3.82Å; R41-D105 IonicContact NH1-OD2 3.98Å; R41-D105 PolarHBondContact NH1-OD2 2.84Å; R41-D105 IonicContact NH2-OD2 3.97Å
42	Y	97.1	Very high	91.1	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123	179.5	-55.9	-78.2	0	0	0	109.5	V38 Y60 D61 V68 I70 D105 I107 V121	V38-Y42 HydrophobicContact CB-CD2 4.45Å; V38-Y42 WeakPolarHBondContact O-CD2 3.25Å; V38-Y42 PolarHBondContact O-N 2.93Å; Y42-Y60 WeakPolarHBondContact CA-O 3.27Å; Y42-D61 HydrophobicContact CD1-CB 3.89Å; Y42-D61 HydrophobicContact CE1-CB 3.65Å; Y42-D61 VanDerWaalsContact CE1-CG 3.48Å; Y42-D61 WeakPolarHBondContact CE1-OD2 3.47Å; Y42-V68 HydrophobicContact CD1-CG2 3.73Å; Y42-V68 HydrophobicContact CE1-CG2 3.81Å; Y42-I70 HydrophobicContact CD1-CD1 3.94Å; Y42-I70 HydrophobicContact CD2-CD1 4.31Å; Y42-I70 HydrophobicContact CG-CD1 3.7Å; Y42-D105 WeakPolarHBondContact OH-CB 3.49Å; Y42-D105 PolarHBondContact OH-OD2 2.99Å; Y42-I107 HydrophobicContact CD2-CD1 3.5Å; Y42-I107 HydrophobicContact CE2-CD1 3.62Å; Y42-I107 HydrophobicContact CE2-CG1 4.27Å; Y42-V121 HydrophobicContact CE1-CG1 3.81Å; Y42-V121 HydrophobicContact CE1-CG2 4.31Å; Y42-V121 HydrophobicContact CE2-CG2 4.01Å
43	H	95	Very high	90	Very high	52 Å²	52	48.7 Å²	48.7	24%	0.241	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	177.1	-177.8	65.2	72.7	0	0	0	111.7	E29 Y60	E29-H43 VanDerWaalsContact OE1-CA 3.25Å; E29-H43 WeakPolarHBondContact OE1-CA 3.5Å; H43-Y60 AromaticContact CE1-CD1 3.41Å; H43-Y60 VanDerWaalsContact CE1-CD1 3.41Å; H43-Y60 WeakPolarHBondContact CE1-CD1 3.41Å; H43-Y60 PolarHBondContact N-O 3.13Å; H43-Y60 VanDerWaalsContact N-O 3.13Å; H43-Y60 AromaticContact NE2-CD1 3.47Å; H43-Y60 WeakPolarHBondContact NE2-CD1 3.33Å; H43-Y60 PolarHBondContact O-N 3.46Å
44	S	94.4	Very high	89.6	Confident	72 Å²	72	47.4 Å²	47.4	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.8	52.2	-179.5	-54.6	0	0	0	0	111.9	E29	E29-S44 PolarHBondContact OE1-N 2.84Å
45	L	96.3	Very high	89.7	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.089	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.6	-173.4	-82.6	62.7	0	0	0	111.6	E29 I31 F36 V38 V57 S58 A59	E29-L45 HydrophobicContact CB-CD2 4.17Å; E29-L45 HydrophobicContact CG-CD1 4.48Å; E29-L45 PolarHBondContact OE2-N 3.4Å; I31-L45 HydrophobicContact CD1-CB 3.7Å; I31-L45 HydrophobicContact CG1-CB 3.85Å; I31-L45 HydrophobicContact CG1-CD2 4.17Å; F36-L45 HydrophobicContact CB-CD2 3.43Å; F36-L45 VanDerWaalsContact CB-CD2 3.43Å; F36-L45 HydrophobicContact CD1-CD2 3.78Å; F36-L45 HydrophobicContact CD2-CD2 4.38Å; F36-L45 HydrophobicContact CG-CD2 3.61Å; V38-L45 HydrophobicContact CG2-CD1 3.95Å; V38-L45 HydrophobicContact CG2-CD2 3.97Å; V38-L45 HydrophobicContact CG2-CG 4.49Å; L45-V57 HydrophobicContact CD2-CG2 3.92Å; L45-V57 HydrophobicContact CG-CG2 3.99Å; L45-S58 CarbonylContact C-O 3.57Å; L45-S58 VanDerWaalsContact CA-O 3.27Å; L45-S58 WeakPolarHBondContact CA-O 3.27Å; L45-A59 HydrophobicContact CD1-CB 3.98Å; L45-A59 HydrophobicContact CG-CB 4.24Å
46	S	96.2	Very high	89.8	Confident	59 Å²	59	45.6 Å²	45.6	41%	0.413	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.7	172.3	176.7	0	0	0	0	111.1	V57 S58	S46-V57 CarbonylContact O-C 3.55Å; S46-V57 WeakPolarHBondContact O-CA 3.26Å; S46-S58 WeakPolarHBondContact CB-OG 3.34Å; S46-S58 PolarHBondContact N-O 3.35Å; S46-S58 PolarHBondContact O-N 3.25Å; S46-S58 PolarHBondContact O-OG 3.48Å; S46-S58 VanDerWaalsContact O-OG 3.08Å
47	Y	95.3	Very high	89.8	Confident	68 Å²	68	45.6 Å²	45.6	27%	0.267	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	135.2	179.2	176.8	-92.8	0	0	0	112.7	I31 R32 G49 E50 M55	I31-Y47 HydrophobicContact CG2-CD2 4.41Å; R32-Y47 HydrophobicContact CG-CD2 4.33Å; R32-Y47 VanDerWaalsContact CZ-CE1 3.45Å; Y47-G49 VanDerWaalsContact CZ-CA 3.48Å; Y47-G49 WeakPolarHBondContact OH-CA 3.25Å; Y47-E50 HydrophobicContact CE2-CB 4.33Å; Y47-E50 PolarHBondContact OH-N 3.46Å; Y47-M55 HydrophobicContact CD2-CE 4.44Å; Y47-M55 HydrophobicContact CD2-CG 4.02Å; Y47-M55 HydrophobicContact CD2-SD 3.98Å; Y47-M55 HydrophobicContact CE2-CE 4.33Å; Y47-M55 HydrophobicContact CE2-CG 4.08Å; Y47-M55 HydrophobicContact CE2-SD 4.33Å
48	I	92.3	Very high	90	Very high	62 Å²	62	41.5 Å²	41.5	32%	0.318	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-51.1	172.3	-61.6	177.1	0	0	0	110.3	V56 L124	I48-V56 HydrophobicContact CB-CG1 4.41Å; I48-V56 HydrophobicContact CD1-CG1 4.23Å; I48-V56 PolarHBondContact N-O 3.1Å; I48-L124 HydrophobicContact CD1-CD1 3.45Å; I48-L124 VanDerWaalsContact CD1-CD1 3.45Å
49	G	88.2	Confident	90.1	Very high	20 Å²	20	41.2 Å²	41.2	21%	0.206	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	171.9	-171.5	0	0	0	0	0	112.4	Y47 V56	Y47-G49 VanDerWaalsContact CZ-CA 3.48Å; Y47-G49 WeakPolarHBondContact OH-CA 3.25Å; G49-V56 PolarHBondContact N-O 3.33Å; G49-V56 PolarHBondContact O-N 2.53Å
50	E	84.7	Confident	90.3	Very high	113 Å²	113	43.5 Å²	43.5	53%	0.528	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.2	176.3	-173.3	167.6	-163.1	0	0	107.4	Q34 Y47	Q34-E50 PolarHBondContact NE2-OE1 2.84Å; Y47-E50 HydrophobicContact CE2-CB 4.33Å; Y47-E50 PolarHBondContact OH-N 3.46Å
51	G	71.6	Confident	90.5	Very high	47 Å²	47	39.9 Å²	39.9	49%	0.485	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-175.9	177.1	0	0	0	0	0	110.9	Y53 G54	G51-Y53 PolarHBondContact O-N 3.17Å; G51-G54 PolarHBondContact N-O 2.8Å; G51-G54 PolarHBondContact O-N 2.97Å
52	A	67.5	Low	90.5	Very high	82 Å²	82	40.7 Å²	40.7	68%	0.678	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.7	179.2	0	0	0	0	0	114.1
53	Y	68.5	Low	90.3	Very high	31 Å²	31	43.9 Å²	43.9	12%	0.122	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	0.1	-174.2	-48.3	-68.8	0	0	0	114.1	G51 I73 F81 R84	G51-Y53 PolarHBondContact O-N 3.17Å; Y53-I73 WeakPolarHBondContact O-CA 3.03Å; Y53-I73 WeakPolarHBondContact O-CG2 3.39Å; Y53-F81 HydrophobicContact CD1-CD1 4.48Å; Y53-F81 HydrophobicContact CE1-CD1 4.43Å; Y53-R84 HydrophobicContact CE1-CB 4.39Å; Y53-R84 HydrophobicContact CE1-CG 4.5Å; Y53-R84 VanDerWaalsContact OH-CD 3.3Å; Y53-R84 WeakPolarHBondContact OH-CD 3.37Å; Y53-R84 PolarHBondContact OH-NH1 2.94Å
54	G	82.9	Confident	90.3	Very high	19 Å²	19	44.7 Å²	44.7	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.9	-166.4	175.6	0	0	0	0	0	114.4	G51 K72	G51-G54 PolarHBondContact N-O 2.8Å; G51-G54 PolarHBondContact O-N 2.97Å; G54-K72 CarbonylContact C-O 3.59Å; G54-K72 WeakPolarHBondContact CA-O 3.42Å
55	M	93.5	Very high	90.3	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.6	-166.7	-174.1	177.1	-66.9	0	0	111.5	I31 R32 Q34 F36 Y47 V57 K72	I31-M55 HydrophobicContact CB-SD 4.23Å; I31-M55 HydrophobicContact CG2-SD 3.83Å; R32-M55 HydrophobicContact CB-CE 4.01Å; Q34-M55 HydrophobicContact CB-CE 4.35Å; Q34-M55 HydrophobicContact CG-CE 3.95Å; F36-M55 HydrophobicContact CE2-CB 4.45Å; F36-M55 HydrophobicContact CE2-CG 4.3Å; F36-M55 HydrophobicContact CE2-SD 3.79Å; F36-M55 HydrophobicContact CZ-CB 4.04Å; F36-M55 HydrophobicContact CZ-CG 4.04Å; F36-M55 HydrophobicContact CZ-SD 4.14Å; Y47-M55 HydrophobicContact CD2-CE 4.44Å; Y47-M55 HydrophobicContact CD2-CG 4.02Å; Y47-M55 HydrophobicContact CD2-SD 3.98Å; Y47-M55 HydrophobicContact CE2-CE 4.33Å; Y47-M55 HydrophobicContact CE2-CG 4.08Å; Y47-M55 HydrophobicContact CE2-SD 4.33Å; M55-V57 HydrophobicContact CG-CG1 4.3Å; M55-V57 HydrophobicContact SD-CG1 4.45Å; M55-K72 PolarHBondContact N-O 3.1Å; M55-K72 PolarHBondContact O-N 2.87Å
56	V	94.8	Very high	90.3	Very high	37 Å²	37	51.8 Å²	51.8	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129	175.4	-171.4	0	0	0	0	109.6	I48 G49 A69 I70 K71	I48-V56 HydrophobicContact CB-CG1 4.41Å; I48-V56 HydrophobicContact CD1-CG1 4.23Å; I48-V56 PolarHBondContact N-O 3.1Å; G49-V56 PolarHBondContact N-O 3.33Å; G49-V56 PolarHBondContact O-N 2.53Å; V56-A69 HydrophobicContact CG1-CB 4.35Å; V56-I70 WeakPolarHBondContact CA-O 3.45Å; V56-K71 HydrophobicContact CG2-CB 4.19Å; V56-K71 HydrophobicContact CG2-CG 4.1Å
57	V	96.9	Very high	90.3	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.1	176.9	-57.5	0	0	0	0	110.2	I31 F36 L45 S46 M55 A69 I70	I31-V57 HydrophobicContact CB-CG1 4.33Å; I31-V57 HydrophobicContact CG1-CG1 4.25Å; I31-V57 HydrophobicContact CG2-CG1 3.97Å; F36-V57 HydrophobicContact CD1-CG2 3.91Å; F36-V57 HydrophobicContact CE1-CB 4.34Å; F36-V57 HydrophobicContact CE1-CG1 3.86Å; F36-V57 HydrophobicContact CE1-CG2 3.51Å; F36-V57 HydrophobicContact CE2-CG1 3.99Å; F36-V57 HydrophobicContact CZ-CB 4.47Å; F36-V57 HydrophobicContact CZ-CG1 3.52Å; F36-V57 HydrophobicContact CZ-CG2 4.1Å; L45-V57 HydrophobicContact CD2-CG2 3.92Å; L45-V57 HydrophobicContact CG-CG2 3.99Å; S46-V57 CarbonylContact O-C 3.55Å; S46-V57 WeakPolarHBondContact O-CA 3.26Å; M55-V57 HydrophobicContact CG-CG1 4.3Å; M55-V57 HydrophobicContact SD-CG1 4.45Å; V57-A69 CarbonylContact O-C 3.54Å; V57-A69 WeakPolarHBondContact O-CA 3.35Å; V57-I70 HydrophobicContact CG2-CB 3.93Å; V57-I70 PolarHBondContact N-O 3.35Å; V57-I70 PolarHBondContact O-N 2.94Å
58	S	97	Very high	90.4	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.3	161.8	51.8	0	0	0	0	108.8	L45 S46 R67 V68	L45-S58 CarbonylContact C-O 3.57Å; L45-S58 VanDerWaalsContact CA-O 3.27Å; L45-S58 WeakPolarHBondContact CA-O 3.27Å; S46-S58 WeakPolarHBondContact CB-OG 3.34Å; S46-S58 PolarHBondContact N-O 3.35Å; S46-S58 PolarHBondContact O-N 3.25Å; S46-S58 PolarHBondContact O-OG 3.48Å; S46-S58 VanDerWaalsContact O-OG 3.08Å; S58-R67 PolarHBondContact OG-NH2 2.88Å; S58-V68 CarbonylContact C-O 3.55Å; S58-V68 VanDerWaalsContact CA-O 3.26Å; S58-V68 WeakPolarHBondContact CA-O 3.43Å
59	A	97.6	Very high	90.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.3	173.7	0	0	0	0	0	110	L45 R67 V68 I70	L45-A59 HydrophobicContact CD1-CB 3.98Å; L45-A59 HydrophobicContact CG-CB 4.24Å; A59-R67 CarbonylContact O-C 3.53Å; A59-R67 VanDerWaalsContact O-CA 3.26Å; A59-R67 WeakPolarHBondContact O-CA 3.37Å; A59-V68 HydrophobicContact CB-CG2 4.25Å; A59-V68 PolarHBondContact N-O 2.94Å; A59-V68 PolarHBondContact O-N 2.77Å; A59-I70 HydrophobicContact CB-CD1 3.53Å; A59-I70 HydrophobicContact CB-CG1 4.1Å
60	Y	97.4	Very high	91.1	Very high	65 Å²	65	48.3 Å²	48.3	26%	0.255	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.1	168.8	-174.2	-97.8	0	0	0	109.1	Y42 H43 R65 R67	Y42-Y60 WeakPolarHBondContact CA-O 3.27Å; H43-Y60 AromaticContact CE1-CD1 3.41Å; H43-Y60 VanDerWaalsContact CE1-CD1 3.41Å; H43-Y60 WeakPolarHBondContact CE1-CD1 3.41Å; H43-Y60 PolarHBondContact N-O 3.13Å; H43-Y60 VanDerWaalsContact N-O 3.13Å; H43-Y60 AromaticContact NE2-CD1 3.47Å; H43-Y60 WeakPolarHBondContact NE2-CD1 3.33Å; H43-Y60 PolarHBondContact O-N 3.46Å; Y60-R65 WeakPolarHBondContact OH-CA 3.07Å; Y60-R65 WeakPolarHBondContact OH-CB 3.34Å; Y60-R65 WeakPolarHBondContact OH-CD 3.37Å; Y60-R67 HydrophobicContact CD2-CG 4.47Å
61	D	97.3	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	111.7	173	-175.3	-15.5	0	0	0	109.3	R41 Y42 A63 T64 R65 T66 V68	R41-D61 WeakPolarHBondContact CG-OD1 3.34Å; R41-D61 IonicContact CZ-OD1 3.77Å; R41-D61 IonicContact CZ-OD2 2.95Å; R41-D61 IonicContact NE-OD1 2.93Å; R41-D61 PolarHBondContact NE-OD1 2.91Å; R41-D61 IonicContact NE-OD2 3.81Å; R41-D61 PolarHBondContact NE-OD2 3.31Å; R41-D61 IonicContact NH2-OD1 3.03Å; R41-D61 IonicContact NH2-OD2 3.33Å; R41-D61 PolarHBondContact NH2-OD2 2.87Å; Y42-D61 HydrophobicContact CD1-CB 3.89Å; Y42-D61 HydrophobicContact CE1-CB 3.65Å; Y42-D61 VanDerWaalsContact CE1-CG 3.48Å; Y42-D61 WeakPolarHBondContact CE1-OD2 3.47Å; D61-A63 PolarHBondContact O-N 2.88Å; D61-A63 WeakPolarHBondContact OD1-CB 3.39Å; D61-A63 PolarHBondContact OD1-N 2.87Å; D61-T64 WeakPolarHBondContact CB-OG1 3.26Å; D61-T64 PolarHBondContact OD2-OG1 2.88Å; D61-R65 WeakPolarHBondContact O-CA 3.49Å; D61-R65 PolarHBondContact O-N 3.3Å; D61-T66 PolarHBondContact N-O 3.08Å; D61-V68 HydrophobicContact CB-CG1 4.15Å; D61-V68 HydrophobicContact CB-CG2 4.43Å
62	Q	95	Very high	92.7	Very high	96 Å²	96	42.5 Å²	42.5	45%	0.449	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.1	-179.5	-172.2	175.3	0.2	0	0	113	P40 R41	P40-Q62 PolarHBondContact O-OE1 3.04Å; R41-Q62 WeakPolarHBondContact O-CB 3.34Å; R41-Q62 PolarHBondContact O-N 2.9Å
63	A	93.9	Very high	94	Very high	71 Å²	71	38.7 Å²	38.7	59%	0.587	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-46.2	-177.9	0	0	0	0	0	111.8	D61	D61-A63 PolarHBondContact O-N 2.88Å; D61-A63 WeakPolarHBondContact OD1-CB 3.39Å; D61-A63 PolarHBondContact OD1-N 2.87Å
64	T	93.9	Very high	95.2	Very high	69 Å²	69	40.1 Å²	40.1	42%	0.423	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-11	-177.9	62.5	0	0	0	0	113.5	D61 T66	D61-T64 WeakPolarHBondContact CB-OG1 3.26Å; D61-T64 PolarHBondContact OD2-OG1 2.88Å; T64-T66 PolarHBondContact O-N 2.88Å; T64-T66 PolarHBondContact OG1-OG1 3.29Å
65	R	95.6	Very high	95.7	Very high	166 Å²	166	39.3 Å²	39.3	63%	0.626	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	24	-176.4	-57.6	-69.1	-174.6	164.4	2.3	114	Y60 D61	Y60-R65 WeakPolarHBondContact OH-CA 3.07Å; Y60-R65 WeakPolarHBondContact OH-CB 3.34Å; Y60-R65 WeakPolarHBondContact OH-CD 3.37Å; D61-R65 WeakPolarHBondContact O-CA 3.49Å; D61-R65 PolarHBondContact O-N 3.3Å
66	T	95.3	Very high	95.7	Very high	72 Å²	72	40.1 Å²	40.1	44%	0.442	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165	180	56.5	0	0	0	0	111.5	D61 T64	D61-T66 PolarHBondContact N-O 3.08Å; T64-T66 PolarHBondContact O-N 2.88Å; T64-T66 PolarHBondContact OG1-OG1 3.29Å
67	R	96.7	Very high	95.5	Very high	127 Å²	127	45 Å²	45	48%	0.479	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	144.2	169.5	-60.7	-163.5	83.8	-169.3	3.3	110.5	S58 A59 Y60 L124	S58-R67 PolarHBondContact OG-NH2 2.88Å; A59-R67 CarbonylContact O-C 3.53Å; A59-R67 VanDerWaalsContact O-CA 3.26Å; A59-R67 WeakPolarHBondContact O-CA 3.37Å; Y60-R67 HydrophobicContact CD2-CG 4.47Å; R67-L124 HydrophobicContact CB-CD2 3.65Å
68	V	97.4	Very high	95.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.5	180	-63.4	0	0	0	0	110.1	Y42 S58 A59 D61 I70 V121 Q122	Y42-V68 HydrophobicContact CD1-CG2 3.73Å; Y42-V68 HydrophobicContact CE1-CG2 3.81Å; S58-V68 CarbonylContact C-O 3.55Å; S58-V68 VanDerWaalsContact CA-O 3.26Å; S58-V68 WeakPolarHBondContact CA-O 3.43Å; A59-V68 HydrophobicContact CB-CG2 4.25Å; A59-V68 PolarHBondContact N-O 2.94Å; A59-V68 PolarHBondContact O-N 2.77Å; D61-V68 HydrophobicContact CB-CG1 4.15Å; D61-V68 HydrophobicContact CB-CG2 4.43Å; V68-I70 HydrophobicContact CG2-CD1 4.4Å; V68-I70 HydrophobicContact CG2-CG1 4.11Å; V68-V121 HydrophobicContact CB-CG1 3.81Å; V68-V121 HydrophobicContact CG1-CG1 4.17Å; V68-V121 HydrophobicContact CG2-CG1 3.76Å; V68-Q122 WeakPolarHBondContact CB-O 3.01Å
69	A	97.2	Very high	95	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.7	166.1	0	0	0	0	0	109.4	V56 V57 V121 Q122 L124	V56-A69 HydrophobicContact CG1-CB 4.35Å; V57-A69 CarbonylContact O-C 3.54Å; V57-A69 WeakPolarHBondContact O-CA 3.35Å; A69-V121 CarbonylContact O-C 3.56Å; A69-V121 WeakPolarHBondContact O-CA 3.27Å; A69-Q122 PolarHBondContact N-O 3.08Å; A69-Q122 PolarHBondContact O-N 3.05Å; A69-L124 HydrophobicContact CB-CD1 4.11Å
70	I	97.1	Very high	94.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.9	176.5	-53.7	-174.4	0	0	0	108.5	V38 Y42 V56 V57 A59 V68 Y119 I120 V121	V38-I70 HydrophobicContact CB-CD1 4.3Å; V38-I70 HydrophobicContact CG1-CD1 4.42Å; V38-I70 HydrophobicContact CG1-CG2 4.26Å; V38-I70 HydrophobicContact CG2-CD1 4.26Å; Y42-I70 HydrophobicContact CD1-CD1 3.94Å; Y42-I70 HydrophobicContact CD2-CD1 4.31Å; Y42-I70 HydrophobicContact CG-CD1 3.7Å; V56-I70 WeakPolarHBondContact CA-O 3.45Å; V57-I70 HydrophobicContact CG2-CB 3.93Å; V57-I70 PolarHBondContact N-O 3.35Å; V57-I70 PolarHBondContact O-N 2.94Å; A59-I70 HydrophobicContact CB-CD1 3.53Å; A59-I70 HydrophobicContact CB-CG1 4.1Å; V68-I70 HydrophobicContact CG2-CD1 4.4Å; V68-I70 HydrophobicContact CG2-CG1 4.11Å; I70-Y119 HydrophobicContact CG2-CD1 4.22Å; I70-Y119 HydrophobicContact CG2-CG 4.48Å; I70-I120 WeakPolarHBondContact CA-O 3.28Å; I70-V121 HydrophobicContact CD1-CG2 4.43Å; I70-V121 HydrophobicContact CG1-CG1 4.43Å; I70-V121 HydrophobicContact CG1-CG2 4.21Å
71	K	95.4	Very high	94.2	Very high	22 Å²	22	56.8 Å²	56.8	10%	0.096	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.6	175	-177.3	-177.4	-178.7	-170.9	0	109	V56 I73 E88 Y119 I120	V56-K71 HydrophobicContact CG2-CB 4.19Å; V56-K71 HydrophobicContact CG2-CG 4.1Å; K71-I73 HydrophobicContact CD-CD1 4Å; K71-I73 HydrophobicContact CD-CG1 4.26Å; K71-I73 HydrophobicContact CG-CD1 4.21Å; K71-I73 HydrophobicContact CG-CG1 3.93Å; K71-E88 IonicContact NZ-OE1 3.17Å; K71-E88 PolarHBondContact NZ-OE1 3.18Å; K71-E88 IonicContact NZ-OE2 3.65Å; K71-E88 PolarHBondContact NZ-OE2 3.39Å; K71-Y119 WeakPolarHBondContact O-CA 3.37Å; K71-I120 PolarHBondContact N-O 3.29Å; K71-I120 PolarHBondContact O-N 2.93Å
72	K	96.2	Very high	94	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.7	170.7	179.4	180	-176	171.1	0	109.4	V35 F36 G54 M55 D117 I118 Y119	V35-K72 PolarHBondContact O-NZ 2.74Å; F36-K72 HydrophobicContact CD1-CB 4.36Å; F36-K72 HydrophobicContact CD2-CD 4.47Å; F36-K72 HydrophobicContact CE1-CB 3.57Å; F36-K72 HydrophobicContact CE1-CD 4.46Å; F36-K72 HydrophobicContact CE2-CB 4.46Å; F36-K72 HydrophobicContact CE2-CD 4.18Å; F36-K72 HydrophobicContact CZ-CB 3.62Å; F36-K72 HydrophobicContact CZ-CD 4.17Å; F36-K72 HydrophobicContact CZ-CG 4.49Å; G54-K72 CarbonylContact C-O 3.59Å; G54-K72 WeakPolarHBondContact CA-O 3.42Å; M55-K72 PolarHBondContact N-O 3.1Å; M55-K72 PolarHBondContact O-N 2.87Å; K72-D117 VanDerWaalsContact CE-OD1 3.25Å; K72-D117 WeakPolarHBondContact CE-OD1 3.47Å; K72-D117 WeakPolarHBondContact CE-OD2 3.49Å; K72-D117 IonicContact NZ-OD1 2.85Å; K72-D117 IonicContact NZ-OD2 3.14Å; K72-D117 PolarHBondContact NZ-OD2 2.87Å; K72-I118 WeakPolarHBondContact CA-O 3.08Å; K72-Y119 HydrophobicContact CB-CD1 3.88Å; K72-Y119 HydrophobicContact CB-CE1 3.92Å; K72-Y119 HydrophobicContact CD-CE1 3.78Å; K72-Y119 HydrophobicContact CG-CD1 4.02Å; K72-Y119 HydrophobicContact CG-CE1 3.63Å
73	I	94	Very high	93.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.1	179.6	-48	178.5	0	0	0	109.2	Y53 K71 P75 T85 D117 I118 I120	Y53-I73 WeakPolarHBondContact O-CA 3.03Å; Y53-I73 WeakPolarHBondContact O-CG2 3.39Å; K71-I73 HydrophobicContact CD-CD1 4Å; K71-I73 HydrophobicContact CD-CG1 4.26Å; K71-I73 HydrophobicContact CG-CD1 4.21Å; K71-I73 HydrophobicContact CG-CG1 3.93Å; I73-P75 HydrophobicContact CG2-CB 4.09Å; I73-P75 HydrophobicContact CG2-CG 4.15Å; I73-P75 WeakPolarHBondContact O-CD 3.29Å; I73-T85 HydrophobicContact CD1-CG2 4.38Å; I73-T85 HydrophobicContact CG2-CG2 4.47Å; I73-D117 CarbonylContact O-C 3.52Å; I73-D117 WeakPolarHBondContact O-CA 3.04Å; I73-I118 PolarHBondContact N-O 3.01Å; I73-I118 PolarHBondContact O-N 3.24Å; I73-I120 HydrophobicContact CD1-CD1 3.66Å; I73-I120 HydrophobicContact CD1-CG1 4.22Å
74	S	93.8	Very high	93.7	Very high	62 Å²	62	51.8 Å²	51.8	43%	0.434	25%	0.249	S	C	.	.			trans	-121.7	70.3	177.3	-46.5	0	0	0	0	110.1	D117	S74-D117 WeakPolarHBondContact CB-OD1 3.5Å; S74-D117 PolarHBondContact OG-OD1 3.44Å
75	P	92.7	Very high	93.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.23	C	C	.	.			trans	-86.1	-16	-162.8	34.2	-34.6	0	0	0	114.3	I73 E77 H78 F81 C82 T85 I118	I73-P75 HydrophobicContact CG2-CB 4.09Å; I73-P75 HydrophobicContact CG2-CG 4.15Å; I73-P75 WeakPolarHBondContact O-CD 3.29Å; P75-E77 PolarHBondContact O-N 3.31Å; P75-E77 VanDerWaalsContact O-N 3.08Å; P75-H78 PolarHBondContact O-N 2.83Å; P75-H78 VanDerWaalsContact O-O 3.12Å; P75-F81 HydrophobicContact CB-CB 3.88Å; P75-C82 PolarHBondContact O-SG 2.95Å; P75-C82 VanDerWaalsContact O-SG 3.41Å; P75-T85 WeakPolarHBondContact CB-OG1 3.37Å; P75-T85 HydrophobicContact CG-CG2 4.26Å; P75-I118 HydrophobicContact CG-CD1 4.31Å
76	F	94.3	Very high	93.6	Very high	21 Å²	21	41 Å²	41	9%	0.092	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.9	-159.6	-51.9	-61.2	0	0	0	116.1	M115 K116 I118 K361 I364	F76-M115 WeakPolarHBondContact CD2-O 3.43Å; F76-M115 HydrophobicContact CE1-CE 3.84Å; F76-M115 HydrophobicContact CE2-CE 4.24Å; F76-M115 HydrophobicContact CE2-CG 3.81Å; F76-M115 VanDerWaalsContact CE2-O 3.29Å; F76-M115 WeakPolarHBondContact CE2-O 3.35Å; F76-M115 HydrophobicContact CE2-SD 4.48Å; F76-M115 HydrophobicContact CZ-CE 3.43Å; F76-M115 VanDerWaalsContact CZ-CE 3.43Å; F76-M115 HydrophobicContact CZ-CG 3.82Å; F76-M115 HydrophobicContact CZ-SD 3.89Å; F76-K116 VanDerWaalsContact CD2-O 3.27Å; F76-K116 WeakPolarHBondContact CD2-O 3.46Å; F76-K116 WeakPolarHBondContact CE2-O 3.29Å; F76-I118 HydrophobicContact CE1-CD1 4.28Å; F76-I118 HydrophobicContact CE2-CD1 4.4Å; F76-I118 HydrophobicContact CE2-CG1 4.36Å; F76-I118 HydrophobicContact CZ-CD1 3.6Å; F76-I118 HydrophobicContact CZ-CG1 3.94Å; F76-K361 HydrophobicContact CB-CD 4.33Å; F76-K361 HydrophobicContact CD1-CB 3.79Å; F76-K361 HydrophobicContact CD1-CD 3.82Å; F76-K361 HydrophobicContact CD1-CG 3.53Å; F76-K361 HydrophobicContact CE1-CB 4.05Å; F76-K361 HydrophobicContact CE1-CD 4.26Å; F76-K361 HydrophobicContact CE1-CG 3.6Å; F76-K361 HydrophobicContact CG-CD 3.99Å; F76-K361 HydrophobicContact CG-CG 4.21Å; F76-K361 HydrophobicContact CZ-CG 4.31Å; F76-I364 HydrophobicContact CE1-CD1 3.98Å
77	E	91.3	Very high	93.4	Very high	138 Å²	138	38.8 Å²	38.8	65%	0.645	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-24	173.7	-65.4	-56.6	149.1	0	0	112.6	P75	P75-E77 PolarHBondContact O-N 3.31Å; P75-E77 VanDerWaalsContact O-N 3.08Å
78	H	91.1	Very high	93.2	Very high	103 Å²	103	33 Å²	33	48%	0.477	16%	0.163	S	C	.	.			trans	-132.2	127.4	-172.7	-58.6	-67.1	0	0	0	112.3	P75 T80 F81 C82	P75-H78 PolarHBondContact O-N 2.83Å; P75-H78 VanDerWaalsContact O-O 3.12Å; H78-T80 VanDerWaalsContact C-N 3.27Å; H78-T80 PolarHBondContact O-N 2.85Å; H78-F81 HydrophobicContact CB-CB 4.25Å; H78-F81 HydrophobicContact CB-CD2 3.89Å; H78-F81 HydrophobicContact CB-CE2 4.41Å; H78-F81 HydrophobicContact CB-CG 4.01Å; H78-F81 AromaticContact CD2-CD2 3.63Å; H78-F81 AromaticContact CD2-CE2 3.53Å; H78-F81 PolarHBondContact O-N 2.89Å; H78-C82 PolarHBondContact O-N 2.82Å; H78-C82 VanDerWaalsContact O-N 3.08Å
79	Q	90.9	Very high	93	Very high	81 Å²	81	33 Å²	33	38%	0.379	16%	0.163	S	C	.	.	H	α-helix	trans	-52.9	-43.9	178.3	-175.9	-176.1	-16	0	0	112.4	F81 C82 Q83 L355 K357 L360	Q79-F81 VanDerWaalsContact C-N 3.3Å; Q79-F81 PolarHBondContact O-N 3.22Å; Q79-C82 WeakPolarHBondContact O-CB 3.48Å; Q79-C82 PolarHBondContact O-N 2.9Å; Q79-Q83 WeakPolarHBondContact O-CG 3.44Å; Q79-Q83 PolarHBondContact O-N 2.91Å; Q79-L355 WeakPolarHBondContact CG-O 3.36Å; Q79-L355 PolarHBondContact NE2-O 3.33Å; Q79-K357 HydrophobicContact CB-CB 4.26Å; Q79-L360 HydrophobicContact CG-CD1 3.81Å
80	T	88.5	Confident	92.8	Very high	72 Å²	72	34.4 Å²	34.4	44%	0.442	17%	0.168	S	C	.	.	H	α-helix	trans	-63.3	-34.6	179.8	54.9	0	0	0	0	112.7	H78 R84	H78-T80 VanDerWaalsContact C-N 3.27Å; H78-T80 PolarHBondContact O-N 2.85Å; T80-R84 WeakPolarHBondContact O-CG 3.46Å; T80-R84 PolarHBondContact O-N 2.65Å; T80-R84 VanDerWaalsContact O-N 3.13Å
81	F	91.2	Very high	92.6	Very high	65 Å²	65	34.8 Å²	34.8	29%	0.285	17%	0.169	S	C	.	.	H	α-helix	trans	-74.1	-38.5	176.6	-66	-8.4	0	0	0	111.4	Y53 P75 H78 Q79 R84 T85	Y53-F81 HydrophobicContact CD1-CD1 4.48Å; Y53-F81 HydrophobicContact CE1-CD1 4.43Å; P75-F81 HydrophobicContact CB-CB 3.88Å; H78-F81 HydrophobicContact CB-CB 4.25Å; H78-F81 HydrophobicContact CB-CD2 3.89Å; H78-F81 HydrophobicContact CB-CE2 4.41Å; H78-F81 HydrophobicContact CB-CG 4.01Å; H78-F81 AromaticContact CD2-CD2 3.63Å; H78-F81 AromaticContact CD2-CE2 3.53Å; H78-F81 PolarHBondContact O-N 2.89Å; Q79-F81 VanDerWaalsContact C-N 3.3Å; Q79-F81 PolarHBondContact O-N 3.22Å; F81-R84 PolarHBondContact O-N 3.13Å; F81-T85 WeakPolarHBondContact O-CB 3.43Å; F81-T85 PolarHBondContact O-N 3.43Å; F81-T85 PolarHBondContact O-OG1 3.29Å
82	C	93.1	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-47.3	171.1	-66.8	0	0	0	0	111.5	P75 H78 Q79 R84 T85 L86 L360 I364	P75-C82 PolarHBondContact O-SG 2.95Å; P75-C82 VanDerWaalsContact O-SG 3.41Å; H78-C82 PolarHBondContact O-N 2.82Å; H78-C82 VanDerWaalsContact O-N 3.08Å; Q79-C82 WeakPolarHBondContact O-CB 3.48Å; Q79-C82 PolarHBondContact O-N 2.9Å; C82-R84 PolarHBondContact O-N 2.75Å; C82-T85 PolarHBondContact O-N 2.73Å; C82-L86 WeakPolarHBondContact O-CB 3.32Å; C82-L86 PolarHBondContact O-N 3.46Å; C82-L360 HydrophobicContact CB-CB 3.63Å; C82-L360 HydrophobicContact CB-CD1 3.76Å; C82-L360 HydrophobicContact CB-CG 4.33Å; C82-I364 HydrophobicContact CB-CD1 4.18Å
83	Q	91.3	Very high	92.4	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-46.2	178.2	-72.3	172.2	-20.1	0	0	112.5	Q79 R87 F352 D353 L360	Q79-Q83 WeakPolarHBondContact O-CG 3.44Å; Q79-Q83 PolarHBondContact O-N 2.91Å; Q83-R87 WeakPolarHBondContact O-CB 3.4Å; Q83-R87 PolarHBondContact O-N 2.81Å; Q83-R87 PolarHBondContact O-NH1 2.84Å; Q83-F352 PolarHBondContact NE2-O 2.8Å; Q83-D353 VanDerWaalsContact NE2-C 3.26Å; Q83-D353 PolarHBondContact NE2-O 3.44Å; Q83-L360 HydrophobicContact CG-CD1 3.58Å; Q83-L360 HydrophobicContact CG-CD2 4.22Å
84	R	90.7	Very high	92.2	Very high	40 Å²	40	38.6 Å²	38.6	15%	0.151	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-41.6	178.7	-68.4	177.4	177.6	-178	6.2	111.6	Y53 T80 F81 C82 R87 E88 G186	Y53-R84 HydrophobicContact CE1-CB 4.39Å; Y53-R84 HydrophobicContact CE1-CG 4.5Å; Y53-R84 VanDerWaalsContact OH-CD 3.3Å; Y53-R84 WeakPolarHBondContact OH-CD 3.37Å; Y53-R84 PolarHBondContact OH-NH1 2.94Å; T80-R84 WeakPolarHBondContact O-CG 3.46Å; T80-R84 PolarHBondContact O-N 2.65Å; T80-R84 VanDerWaalsContact O-N 3.13Å; F81-R84 PolarHBondContact O-N 3.13Å; C82-R84 PolarHBondContact O-N 2.75Å; R84-R87 PolarHBondContact O-N 2.77Å; R84-E88 WeakPolarHBondContact O-CB 3.34Å; R84-E88 PolarHBondContact O-N 2.83Å; R84-G186 WeakPolarHBondContact CG-O 3.5Å
85	T	93	Very high	92.3	Very high	2 Å²	2	36 Å²	36	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-48.4	178.8	-54.9	0	0	0	0	111.6	I73 P75 F81 C82 R87 E88 I89 I118 I364	I73-T85 HydrophobicContact CD1-CG2 4.38Å; I73-T85 HydrophobicContact CG2-CG2 4.47Å; P75-T85 WeakPolarHBondContact CB-OG1 3.37Å; P75-T85 HydrophobicContact CG-CG2 4.26Å; F81-T85 WeakPolarHBondContact O-CB 3.43Å; F81-T85 PolarHBondContact O-N 3.43Å; F81-T85 PolarHBondContact O-OG1 3.29Å; C82-T85 PolarHBondContact O-N 2.73Å; T85-R87 VanDerWaalsContact C-N 3.26Å; T85-R87 PolarHBondContact O-N 3.3Å; T85-E88 PolarHBondContact O-N 3.18Å; T85-I89 HydrophobicContact CG2-CD1 3.93Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.08Å; T85-I118 HydrophobicContact CG2-CD1 3.88Å; T85-I364 HydrophobicContact CG2-CD1 4.4Å
86	L	93.6	Very high	92.3	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-56.8	-44.7	176.7	-179.8	56.3	0	0	0	110.9	C82 I89 K90 F352 L360 L363 I364 Q367	C82-L86 WeakPolarHBondContact O-CB 3.32Å; C82-L86 PolarHBondContact O-N 3.46Å; L86-I89 PolarHBondContact O-N 3.23Å; L86-K90 HydrophobicContact CD1-CD 4Å; L86-K90 HydrophobicContact CD1-CG 4.09Å; L86-K90 HydrophobicContact CG-CD 4.13Å; L86-K90 WeakPolarHBondContact O-CB 3.2Å; L86-K90 WeakPolarHBondContact O-CG 3.4Å; L86-K90 PolarHBondContact O-N 2.75Å; L86-F352 HydrophobicContact CD2-CD2 3.6Å; L86-F352 HydrophobicContact CD2-CE2 4.17Å; L86-F352 HydrophobicContact CD2-CG 4.4Å; L86-L360 HydrophobicContact CD2-CD2 3.85Å; L86-L363 HydrophobicContact CD1-CB 4.22Å; L86-L363 HydrophobicContact CD2-CB 3.87Å; L86-L363 HydrophobicContact CD2-CD1 4.11Å; L86-I364 HydrophobicContact CB-CD1 4.29Å; L86-I364 HydrophobicContact CB-CG1 3.67Å; L86-I364 HydrophobicContact CD1-CG1 3.93Å; L86-I364 HydrophobicContact CG-CG1 4.31Å; L86-Q367 HydrophobicContact CD1-CB 4.25Å
87	R	91.3	Very high	92.5	Very high	26 Å²	26	44.8 Å²	44.8	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-48	179.6	-170.4	178	-55.4	96.9	8.3	112.7	Q83 R84 T85 I89 K90 I91 G186 A188 R189 D353	Q83-R87 WeakPolarHBondContact O-CB 3.4Å; Q83-R87 PolarHBondContact O-N 2.81Å; Q83-R87 PolarHBondContact O-NH1 2.84Å; R84-R87 PolarHBondContact O-N 2.77Å; T85-R87 VanDerWaalsContact C-N 3.26Å; T85-R87 PolarHBondContact O-N 3.3Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.04Å; R87-K90 PolarHBondContact O-N 2.92Å; R87-I91 HydrophobicContact CG-CD1 3.67Å; R87-I91 HydrophobicContact CG-CG1 4.36Å; R87-I91 WeakPolarHBondContact O-CB 3.39Å; R87-I91 WeakPolarHBondContact O-CG1 3.35Å; R87-I91 PolarHBondContact O-N 3.31Å; R87-G186 PolarHBondContact NH1-O 3.15Å; R87-A188 WeakPolarHBondContact CD-O 3.36Å; R87-A188 PolarHBondContact NE-O 2.81Å; R87-A188 VanDerWaalsContact NE-O 3.17Å; R87-R189 VanDerWaalsContact NH2-NH1 3.19Å; R87-D353 IonicContact NH2-OD1 3.25Å; R87-D353 PolarHBondContact NH2-OD1 2.98Å
88	E	93.1	Very high	92.8	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-56.4	-45.8	177.1	-178.2	171	-137.5	0	0	110.7	K71 R84 T85 L92	K71-E88 IonicContact NZ-OE1 3.17Å; K71-E88 PolarHBondContact NZ-OE1 3.18Å; K71-E88 IonicContact NZ-OE2 3.65Å; K71-E88 PolarHBondContact NZ-OE2 3.39Å; R84-E88 WeakPolarHBondContact O-CB 3.34Å; R84-E88 PolarHBondContact O-N 2.83Å; T85-E88 PolarHBondContact O-N 3.18Å; E88-L92 HydrophobicContact CG-CD1 3.83Å; E88-L92 HydrophobicContact CG-CG 4.48Å; E88-L92 VanDerWaalsContact O-CB 3.3Å; E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 WeakPolarHBondContact O-CG 3.39Å; E88-L92 PolarHBondContact O-N 3.21Å
89	I	94.2	Very high	93.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-51.8	177.7	-63.5	169.9	0	0	0	110.9	T85 L86 R87 I91 L92 S93 I106 I120 I364 Q367 I368	T85-I89 HydrophobicContact CG2-CD1 3.93Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.08Å; L86-I89 PolarHBondContact O-N 3.23Å; R87-I89 VanDerWaalsContact C-N 3.29Å; R87-I89 PolarHBondContact O-N 3.04Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.44Å; I89-L92 PolarHBondContact O-N 3.23Å; I89-S93 WeakPolarHBondContact O-CB 3.43Å; I89-S93 PolarHBondContact O-N 3.41Å; I89-S93 PolarHBondContact O-OG 3.49Å; I89-I106 HydrophobicContact CD1-CD1 4.42Å; I89-I106 HydrophobicContact CG1-CD1 4.28Å; I89-I106 HydrophobicContact CG2-CD1 3.73Å; I89-I120 HydrophobicContact CD1-CD1 4.46Å; I89-I120 HydrophobicContact CG1-CD1 3.96Å; I89-I364 HydrophobicContact CD1-CG2 4.08Å; I89-Q367 HydrophobicContact CB-CG 4.46Å; I89-Q367 HydrophobicContact CG2-CG 3.58Å; I89-I368 HydrophobicContact CD1-CD1 4.22Å; I89-I368 HydrophobicContact CD1-CG1 4.14Å
90	K	92.6	Very high	93.5	Very high	40 Å²	40	35.8 Å²	35.8	17%	0.174	16%	0.16	C	C	.	.	H	α-helix	trans	-57.9	-41.5	-178.3	-75.9	-174.9	76.9	178.1	0	112.5	L86 R87 M350 F352 Q367	L86-K90 HydrophobicContact CD1-CD 4Å; L86-K90 HydrophobicContact CD1-CG 4.09Å; L86-K90 HydrophobicContact CG-CD 4.13Å; L86-K90 WeakPolarHBondContact O-CB 3.2Å; L86-K90 WeakPolarHBondContact O-CG 3.4Å; L86-K90 PolarHBondContact O-N 2.75Å; R87-K90 PolarHBondContact O-N 2.92Å; K90-M350 PolarHBondContact NZ-O 3.13Å; K90-F352 HydrophobicContact CD-CE2 4.27Å; K90-Q367 HydrophobicContact CG-CG 3.91Å
91	I	92.9	Very high	93.8	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-69.4	-56.1	179.8	-68.4	173.3	0	0	0	110.5	R87 I89 S93 R94 F95 V162 F185 A188 F346	R87-I91 HydrophobicContact CG-CD1 3.67Å; R87-I91 HydrophobicContact CG-CG1 4.36Å; R87-I91 WeakPolarHBondContact O-CB 3.39Å; R87-I91 WeakPolarHBondContact O-CG1 3.35Å; R87-I91 PolarHBondContact O-N 3.31Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.44Å; I91-S93 VanDerWaalsContact C-N 3.29Å; I91-S93 PolarHBondContact O-N 3.42Å; I91-R94 PolarHBondContact O-N 3.07Å; I91-R94 VanDerWaalsContact O-N 3.07Å; I91-F95 HydrophobicContact CG2-CD2 3.53Å; I91-F95 HydrophobicContact CG2-CE1 4.34Å; I91-F95 HydrophobicContact CG2-CE2 3.29Å; I91-F95 HydrophobicContact CG2-CG 4.16Å; I91-F95 HydrophobicContact CG2-CZ 3.77Å; I91-F95 PolarHBondContact O-N 3.14Å; I91-V162 HydrophobicContact CD1-CG1 4.04Å; I91-F185 HydrophobicContact CD1-CB 4.45Å; I91-F185 HydrophobicContact CG2-CB 4.41Å; I91-F185 HydrophobicContact CG2-CD1 3.73Å; I91-F185 HydrophobicContact CG2-CE1 4.23Å; I91-F185 HydrophobicContact CG2-CG 4.15Å; I91-A188 HydrophobicContact CD1-CB 3.49Å; I91-A188 VanDerWaalsContact CD1-CB 3.49Å; I91-F346 HydrophobicContact CB-CZ 4.43Å; I91-F346 HydrophobicContact CG1-CE1 4.16Å; I91-F346 HydrophobicContact CG1-CZ 4.19Å
92	L	94.3	Very high	93.9	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-23.1	-173.5	-66.5	-177.7	0	0	0	113.6	E88 I89 R94 I100 I101 I103 F185	E88-L92 HydrophobicContact CG-CD1 3.83Å; E88-L92 HydrophobicContact CG-CG 4.48Å; E88-L92 VanDerWaalsContact O-CB 3.3Å; E88-L92 WeakPolarHBondContact O-CB 3.35Å; E88-L92 WeakPolarHBondContact O-CG 3.39Å; E88-L92 PolarHBondContact O-N 3.21Å; I89-L92 PolarHBondContact O-N 3.23Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.44Å; L92-I100 HydrophobicContact CD2-CG2 3.97Å; L92-I101 HydrophobicContact CD1-CG2 3.96Å; L92-I101 HydrophobicContact CD2-CG2 4.1Å; L92-I101 WeakPolarHBondContact CD2-O 3.22Å; L92-I103 HydrophobicContact CB-CD1 3.56Å; L92-I103 HydrophobicContact CB-CG1 3.69Å; L92-I103 HydrophobicContact CD1-CD1 4.28Å; L92-I103 HydrophobicContact CD1-CG1 4.12Å; L92-F185 HydrophobicContact CD1-CD2 4.45Å; L92-F185 HydrophobicContact CD2-CD2 3.47Å; L92-F185 VanDerWaalsContact CD2-CD2 3.47Å; L92-F185 HydrophobicContact CD2-CE2 3.62Å; L92-F185 HydrophobicContact CD2-CG 4.16Å; L92-F185 HydrophobicContact CD2-CZ 4.39Å; L92-F185 HydrophobicContact CG-CD2 4.11Å
93	S	92.4	Very high	94	Very high	28 Å²	28	33.1 Å²	33.1	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-24	171.7	-67.9	0	0	0	0	113.2	I89 I91 F371	I89-S93 WeakPolarHBondContact O-CB 3.43Å; I89-S93 PolarHBondContact O-N 3.41Å; I89-S93 PolarHBondContact O-OG 3.49Å; I91-S93 VanDerWaalsContact C-N 3.29Å; I91-S93 PolarHBondContact O-N 3.42Å; S93-F371 WeakPolarHBondContact OG-CD2 3.44Å
94	R	91	Very high	94.1	Very high	86 Å²	86	34.6 Å²	34.6	33%	0.325	15%	0.153	S	C	.	.	H	α-helix	trans	-97.1	-27.4	178.8	-72.7	171.8	58.2	96.5	5.2	112.8	I91 L92 E344 F346	I91-R94 PolarHBondContact O-N 3.07Å; I91-R94 VanDerWaalsContact O-N 3.07Å; L92-R94 VanDerWaalsContact C-N 3.27Å; L92-R94 PolarHBondContact O-N 3.44Å; R94-E344 IonicContact CZ-OE2 3.73Å; R94-E344 IonicContact NH1-OE2 2.74Å; R94-E344 PolarHBondContact NH1-OE2 3.17Å; R94-E344 VanDerWaalsContact NH1-OE2 3.14Å; R94-E344 PolarHBondContact NH2-O 3.03Å; R94-E344 IonicContact NH2-OE2 2.64Å; R94-E344 PolarHBondContact NH2-OE2 3.29Å; R94-F346 HydrophobicContact CB-CE2 4.34Å; R94-F346 HydrophobicContact CB-CZ 3.87Å; R94-F346 VanDerWaalsContact CD-CZ 3.44Å; R94-F346 HydrophobicContact CG-CZ 4.2Å
95	F	94.3	Very high	94.4	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.039	15%	0.151	C	C	.	.			trans	-75.6	130.7	-179.2	-74.5	-3.2	0	0	0	112.6	I91 I100 Y156 I157 A160 V162 F185 F346	I91-F95 HydrophobicContact CG2-CD2 3.53Å; I91-F95 HydrophobicContact CG2-CE1 4.34Å; I91-F95 HydrophobicContact CG2-CE2 3.29Å; I91-F95 HydrophobicContact CG2-CG 4.16Å; I91-F95 HydrophobicContact CG2-CZ 3.77Å; I91-F95 PolarHBondContact O-N 3.14Å; F95-I100 HydrophobicContact CB-CG2 4.5Å; F95-I100 HydrophobicContact CD2-CD1 3.87Å; F95-I100 HydrophobicContact CD2-CG2 4.19Å; F95-I100 HydrophobicContact CE2-CD1 4.35Å; F95-I100 HydrophobicContact CG-CD1 4.43Å; F95-Y156 HydrophobicContact CB-CE1 4.06Å; F95-Y156 HydrophobicContact CD1-CD1 4.35Å; F95-Y156 AromaticContact CD1-CE1 3.65Å; F95-Y156 HydrophobicContact CD1-CE1 3.65Å; F95-Y156 HydrophobicContact CE1-CE1 4.15Å; F95-Y156 HydrophobicContact CG-CD1 4.41Å; F95-Y156 AromaticContact CG-CE1 3.87Å; F95-Y156 HydrophobicContact CG-CE1 3.87Å; F95-I157 HydrophobicContact CE2-CB 4.43Å; F95-I157 HydrophobicContact CE2-CG1 3.9Å; F95-I157 HydrophobicContact CE2-CG2 4.41Å; F95-A160 HydrophobicContact CE1-CB 3.48Å; F95-A160 VanDerWaalsContact CE1-CB 3.48Å; F95-A160 HydrophobicContact CZ-CB 3.78Å; F95-V162 HydrophobicContact CZ-CB 4.12Å; F95-V162 HydrophobicContact CZ-CG1 4.43Å; F95-V162 HydrophobicContact CZ-CG2 3.98Å; F95-F185 HydrophobicContact CD2-CE1 4.23Å; F95-F185 HydrophobicContact CD2-CZ 4.36Å; F95-F185 HydrophobicContact CE2-CD1 4.4Å; F95-F185 AromaticContact CE2-CE1 3.79Å; F95-F185 HydrophobicContact CE2-CE1 3.79Å; F95-F185 HydrophobicContact CE2-CZ 4.31Å; F95-F346 HydrophobicContact CD1-CE2 4.15Å; F95-F346 HydrophobicContact CE1-CD2 4.26Å; F95-F346 AromaticContact CE1-CE2 3.53Å; F95-F346 HydrophobicContact CE1-CE2 3.53Å; F95-F346 HydrophobicContact CE1-CZ 4.42Å; F95-F346 HydrophobicContact CZ-CE2 4.2Å
96	R	93.8	Very high	94.6	Very high	184 Å²	184	33.6 Å²	33.6	69%	0.694	15%	0.151	S	C	*	.			trans	-131.9	92.7	173.7	-62.8	-178.1	-178.3	-161.2	-4	108.2	Y156 D378	R96-Y156 PolarHBondContact N-OH 2.78Å; R96-Y156 PolarHBondContact O-OH 3Å; R96-D378 IonicContact CZ-OD2 2.75Å; R96-D378 IonicContact NH1-OD2 2.73Å; R96-D378 IonicContact NH2-OD2 2.88Å; R96-D378 PolarHBondContact NH2-OD2 3.06Å
97	H	97.2	Very high	94.7	Very high	22 Å²	22	35.1 Å²	35.1	10%	0.102	16%	0.158	C	C	.	.			trans	-151	143.5	-177.5	-170	-90	0	0	0	111.1	N99 I100 Y156	H97-N99 VanDerWaalsContact C-N 3.34Å; H97-N99 PolarHBondContact CE1-OD1 2.76Å; H97-N99 VanDerWaalsContact CE1-OD1 3.31Å; H97-N99 PolarHBondContact ND1-N 3.47Å; H97-N99 PolarHBondContact O-N 2.89Å; H97-I100 HydrophobicContact CB-CB 4.17Å; H97-I100 HydrophobicContact CB-CD1 3.79Å; H97-I100 HydrophobicContact CB-CG1 3.94Å; H97-I100 PolarHBondContact O-N 3.27Å; H97-I100 VanDerWaalsContact O-O 3.12Å; H97-Y156 HydrophobicContact CB-CD1 4.04Å; H97-Y156 HydrophobicContact CB-CD2 4.2Å; H97-Y156 HydrophobicContact CB-CE1 4.29Å; H97-Y156 HydrophobicContact CB-CE2 4.44Å; H97-Y156 HydrophobicContact CB-CG 3.99Å; H97-Y156 AromaticContact CD2-CD2 3.59Å; H97-Y156 AromaticContact CD2-CG 3.68Å; H97-Y156 AromaticContact CG-CG 3.97Å
98	E	97.6	Very high	94.9	Very high	124 Å²	124	36.9 Å²	36.9	58%	0.579	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.7	-176.4	-64.1	174.9	145.4	0	0	112.6	I100 R152 K181	E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.05Å; E98-R152 IonicContact OE2-CZ 3.76Å; E98-R152 IonicContact OE2-NH1 2.65Å; E98-R152 PolarHBondContact OE2-NH1 2.99Å; E98-R152 IonicContact OE2-NH2 2.68Å; E98-R152 PolarHBondContact OE2-NH2 3.39Å; E98-K181 WeakPolarHBondContact O-CG 3.41Å; E98-K181 PolarHBondContact O-NZ 2.89Å
99	N	98.5	Very high	94.9	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	16.6	178.4	-50.5	109.2	0	0	0	114.7	H97 Q149 R152 L180 I182	H97-N99 VanDerWaalsContact C-N 3.34Å; H97-N99 PolarHBondContact CE1-OD1 2.76Å; H97-N99 VanDerWaalsContact CE1-OD1 3.31Å; H97-N99 PolarHBondContact ND1-N 3.47Å; H97-N99 PolarHBondContact O-N 2.89Å; N99-Q149 VanDerWaalsContact CB-O 3.31Å; N99-Q149 WeakPolarHBondContact CB-O 3.07Å; N99-Q149 WeakPolarHBondContact ND2-CB 3.27Å; N99-Q149 PolarHBondContact ND2-OE1 3.34Å; N99-R152 WeakPolarHBondContact OD1-CD 3.36Å; N99-R152 PolarHBondContact OD1-NH1 2.88Å; N99-L180 VanDerWaalsContact CA-O 3.23Å; N99-L180 WeakPolarHBondContact CA-O 3.43Å; N99-L180 WeakPolarHBondContact CB-O 3.21Å; N99-L180 PolarHBondContact ND2-O 2.92Å; N99-I182 PolarHBondContact O-N 3.49Å
100	I	98.1	Very high	94.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-124.1	139.5	173.3	-57.4	175.9	0	0	0	108.5	L92 F95 H97 E98 N102 Y156 I157 F185	L92-I100 HydrophobicContact CD2-CG2 3.97Å; F95-I100 HydrophobicContact CB-CG2 4.5Å; F95-I100 HydrophobicContact CD2-CD1 3.87Å; F95-I100 HydrophobicContact CD2-CG2 4.19Å; F95-I100 HydrophobicContact CE2-CD1 4.35Å; F95-I100 HydrophobicContact CG-CD1 4.43Å; H97-I100 HydrophobicContact CB-CB 4.17Å; H97-I100 HydrophobicContact CB-CD1 3.79Å; H97-I100 HydrophobicContact CB-CG1 3.94Å; H97-I100 PolarHBondContact O-N 3.27Å; H97-I100 VanDerWaalsContact O-O 3.12Å; E98-I100 VanDerWaalsContact C-N 3.32Å; E98-I100 PolarHBondContact O-N 3.05Å; I100-N102 PolarHBondContact O-N 3.39Å; I100-Y156 HydrophobicContact CD1-CD1 3.61Å; I100-Y156 HydrophobicContact CD1-CE1 4.34Å; I100-Y156 HydrophobicContact CD1-CG 4.32Å; I100-I157 HydrophobicContact CD1-CD1 4.1Å; I100-I157 HydrophobicContact CD1-CG1 3.55Å; I100-I157 HydrophobicContact CG1-CD1 4.37Å; I100-I157 HydrophobicContact CG1-CG1 4.35Å; I100-F185 HydrophobicContact CG2-CE2 3.78Å; I100-F185 HydrophobicContact CG2-CZ 3.74Å
101	I	96.5	Very high	94.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.21	C	C	.	.			trans	-63.3	133.7	175.6	-164.6	67.2	0	0	0	110.2	L92 Q122 C123 L173 K181 I182 C183	L92-I101 HydrophobicContact CD1-CG2 3.96Å; L92-I101 HydrophobicContact CD2-CG2 4.1Å; L92-I101 WeakPolarHBondContact CD2-O 3.22Å; I101-Q122 HydrophobicContact CD1-CB 4.19Å; I101-Q122 HydrophobicContact CG1-CB 4Å; I101-Q122 HydrophobicContact CG1-CG 4.25Å; I101-C123 WeakPolarHBondContact CD1-SG 3.17Å; I101-L173 HydrophobicContact CD1-CD1 4.07Å; I101-K181 HydrophobicContact CD1-CD 4.09Å; I101-I182 WeakPolarHBondContact CB-O 3.45Å; I101-I182 WeakPolarHBondContact CG2-O 3.42Å; I101-I182 PolarHBondContact N-O 3.14Å; I101-C183 HydrophobicContact CB-CB 4.04Å; I101-C183 HydrophobicContact CG2-CB 3.7Å
102	N	91.8	Very high	95	Very high	65 Å²	65	44.1 Å²	44.1	35%	0.348	22%	0.219	S	C	.	.			trans	-99.6	149.7	178	68.3	-32.7	0	0	0	111.8	I100 Q122 C123	I100-N102 PolarHBondContact O-N 3.39Å; N102-Q122 WeakPolarHBondContact O-CA 3.36Å; N102-Q122 WeakPolarHBondContact O-CB 3.01Å; N102-Q122 WeakPolarHBondContact O-CG 3.46Å; N102-C123 PolarHBondContact OD1-SG 2.83Å
103	I	95.3	Very high	95	Very high	14 Å²	14	50.7 Å²	50.7	7%	0.072	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.4	164.8	-64.4	178.1	0	0	0	107.8	L92 I106 I120 F371	L92-I103 HydrophobicContact CB-CD1 3.56Å; L92-I103 HydrophobicContact CB-CG1 3.69Å; L92-I103 HydrophobicContact CD1-CD1 4.28Å; L92-I103 HydrophobicContact CD1-CG1 4.12Å; I103-I106 HydrophobicContact CD1-CD1 4.32Å; I103-I106 HydrophobicContact CG2-CD1 3.98Å; I103-I106 HydrophobicContact CG2-CG1 3.54Å; I103-I120 HydrophobicContact CB-CG2 4.49Å; I103-I120 HydrophobicContact CD1-CG2 4.05Å; I103-I120 HydrophobicContact CG1-CG2 3.76Å; I103-I120 HydrophobicContact CG2-CG2 4.14Å; I103-F371 HydrophobicContact CB-CE2 4.39Å; I103-F371 HydrophobicContact CB-CZ 4.37Å; I103-F371 HydrophobicContact CG2-CE1 4.07Å; I103-F371 HydrophobicContact CG2-CE2 4.02Å; I103-F371 HydrophobicContact CG2-CZ 3.61Å
104	Q	94.6	Very high	95	Very high	53 Å²	53	54.9 Å²	54.9	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-39.9	173.8	-63.7	-172.9	2.3	0	0	111.3	V121 K375	Q104-V121 HydrophobicContact CB-CG1 4.35Å; Q104-V121 PolarHBondContact N-O 3.02Å; Q104-K375 VanDerWaalsContact O-CE 3.28Å; Q104-K375 WeakPolarHBondContact O-CE 3.11Å; Q104-K375 PolarHBondContact O-NZ 3.03Å
105	D	96.2	Very high	95.2	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.102	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	163.7	178.6	-144.1	-25.9	0	0	0	111.1	R41 Y42 V121 H372 K375	R41-D105 IonicContact CZ-OD2 3.82Å; R41-D105 IonicContact NH1-OD2 3.98Å; R41-D105 PolarHBondContact NH1-OD2 2.84Å; R41-D105 IonicContact NH2-OD2 3.97Å; Y42-D105 WeakPolarHBondContact OH-CB 3.49Å; Y42-D105 PolarHBondContact OH-OD2 2.99Å; D105-V121 HydrophobicContact CB-CB 3.82Å; D105-V121 HydrophobicContact CB-CG2 3.88Å; D105-V121 PolarHBondContact N-O 3.16Å; D105-V121 WeakPolarHBondContact O-CB 3.3Å; D105-V121 PolarHBondContact O-N 3.07Å; D105-H372 IonicContact OD1-CD2 3.7Å; D105-H372 IonicContact OD1-NE2 3.84Å; D105-K375 IonicContact OD1-NZ 2.76Å; D105-K375 IonicContact OD2-NZ 3.79Å; D105-K375 PolarHBondContact OD2-NZ 3.15Å
106	I	96.8	Very high	95.2	Very high	2 Å²	2	58 Å²	58	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.6	171.8	-52	176.7	0	0	0	109.1	I89 I103 I118 Y119 I368 F371 H372	I89-I106 HydrophobicContact CD1-CD1 4.42Å; I89-I106 HydrophobicContact CG1-CD1 4.28Å; I89-I106 HydrophobicContact CG2-CD1 3.73Å; I103-I106 HydrophobicContact CD1-CD1 4.32Å; I103-I106 HydrophobicContact CG2-CD1 3.98Å; I103-I106 HydrophobicContact CG2-CG1 3.54Å; I106-I118 HydrophobicContact CG2-CG2 3.49Å; I106-I118 VanDerWaalsContact CG2-CG2 3.49Å; I106-Y119 CarbonylContact C-O 3.51Å; I106-Y119 WeakPolarHBondContact CA-O 3.5Å; I106-I368 HydrophobicContact CB-CG2 4.12Å; I106-I368 HydrophobicContact CD1-CG1 4.1Å; I106-I368 HydrophobicContact CG2-CD1 3.82Å; I106-I368 HydrophobicContact CG2-CG1 3.91Å; I106-I368 HydrophobicContact CG2-CG2 4.01Å; I106-F371 HydrophobicContact CD1-CD1 3.98Å; I106-F371 HydrophobicContact CD1-CE1 4.37Å; I106-F371 HydrophobicContact CD1-CG 4.31Å; I106-F371 HydrophobicContact CG1-CD1 4.06Å; I106-F371 HydrophobicContact CG1-CE1 4.03Å; I106-H372 PolarHBondContact O-CE1 3.49Å; I106-H372 PolarHBondContact O-NE2 2.96Å
107	I	96.6	Very high	95.2	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.8	178.3	-44.7	165.2	0	0	0	108.6	V38 Y42 Y119 V121	V38-I107 HydrophobicContact CB-CD1 3.71Å; V38-I107 HydrophobicContact CG1-CD1 3.79Å; Y42-I107 HydrophobicContact CD2-CD1 3.5Å; Y42-I107 HydrophobicContact CE2-CD1 3.62Å; Y42-I107 HydrophobicContact CE2-CG1 4.27Å; I107-Y119 HydrophobicContact CB-CD2 4.06Å; I107-Y119 HydrophobicContact CB-CG 4.41Å; I107-Y119 HydrophobicContact CG2-CD2 4.34Å; I107-Y119 PolarHBondContact N-O 3.25Å; I107-Y119 PolarHBondContact O-N 2.97Å; I107-V121 HydrophobicContact CD1-CG2 4.24Å; I107-V121 HydrophobicContact CG1-CG2 4.4Å
108	R	94.6	Very high	95.2	Very high	63 Å²	63	49.4 Å²	49.4	24%	0.238	26%	0.256	C	S	.	.			trans	-148.6	165	179.4	57.4	145	-176.8	92.4	-1.5	110	S110 M115 I368 N369	R108-S110 VanDerWaalsContact NH1-C 3.28Å; R108-S110 PolarHBondContact NH1-O 3.42Å; R108-M115 HydrophobicContact CB-CG 4.33Å; R108-M115 HydrophobicContact CB-SD 4.09Å; R108-I368 HydrophobicContact CG-CG2 4Å; R108-N369 VanDerWaalsContact CZ-OD1 3.26Å; R108-N369 PolarHBondContact NE-OD1 3.37Å; R108-N369 PolarHBondContact NH2-OD1 3.35Å
109	A	94.6	Very high	95.1	Very high	27 Å²	27	43.8 Å²	43.8	22%	0.223	23%	0.229	C	C	.	.			trans	-64.7	158.9	167.3	0	0	0	0	0	111.6	T111 Q114 M115	A109-T111 VanDerWaalsContact C-N 3.3Å; A109-T111 PolarHBondContact O-N 3.17Å; A109-Q114 VanDerWaalsContact CB-C 3.42Å; A109-Q114 HydrophobicContact CB-CB 3.67Å; A109-Q114 WeakPolarHBondContact CB-O 3.35Å; A109-M115 HydrophobicContact CB-CB 4.27Å
110	S	92.2	Very high	95	Very high	84 Å²	84	43.4 Å²	43.4	59%	0.587	23%	0.227	S	C	*	.	S	Bend	trans	-65.3	-29.1	-174.6	54.9	0	0	0	0	114.1	R108 Q114 F365	R108-S110 VanDerWaalsContact NH1-C 3.28Å; R108-S110 PolarHBondContact NH1-O 3.42Å; S110-Q114 PolarHBondContact OG-OE1 2.77Å; S110-Q114 VanDerWaalsContact OG-OE1 3.1Å; S110-F365 WeakPolarHBondContact O-CZ 3.39Å
111	T	94.6	Very high	95	Very high	57 Å²	57	43.3 Å²	43.3	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-124.7	156.4	-177.3	60.6	0	0	0	0	111.4	A109 D113 Q114 M115	A109-T111 VanDerWaalsContact C-N 3.3Å; A109-T111 PolarHBondContact O-N 3.17Å; T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 2.83Å; T111-Q114 PolarHBondContact O-N 3.23Å; T111-Q114 WeakPolarHBondContact OG1-CB 3.32Å; T111-Q114 VanDerWaalsContact OG1-CD 3.27Å; T111-Q114 VanDerWaalsContact OG1-CG 3.27Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.37Å; T111-Q114 PolarHBondContact OG1-N 3.35Å; T111-Q114 PolarHBondContact OG1-OE1 2.63Å; T111-Q114 VanDerWaalsContact OG1-OE1 3.1Å; T111-M115 PolarHBondContact O-N 3.08Å; T111-M115 VanDerWaalsContact O-N 3.17Å
112	V	94.7	Very high	95	Very high	37 Å²	37	44 Å²	44	22%	0.224	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.6	177.4	-179.6	0	0	0	0	111	Q114 M115 K361 E362 F365	V112-Q114 VanDerWaalsContact C-N 3.34Å; V112-Q114 PolarHBondContact O-N 3.29Å; V112-M115 WeakPolarHBondContact O-CB 3.48Å; V112-M115 PolarHBondContact O-N 3.4Å; V112-K361 HydrophobicContact CG1-CD 4.2Å; V112-K361 HydrophobicContact CG1-CG 4.04Å; V112-K361 WeakPolarHBondContact O-CE 3.35Å; V112-K361 PolarHBondContact O-NZ 3.06Å; V112-E362 HydrophobicContact CG1-CG 4.4Å; V112-F365 HydrophobicContact CG2-CB 3.83Å; V112-F365 HydrophobicContact CG2-CD1 3.51Å; V112-F365 HydrophobicContact CG2-CD2 3.83Å; V112-F365 HydrophobicContact CG2-CE1 3.92Å; V112-F365 HydrophobicContact CG2-CE2 4.21Å; V112-F365 HydrophobicContact CG2-CG 3.46Å; V112-F365 VanDerWaalsContact CG2-CG 3.46Å; V112-F365 HydrophobicContact CG2-CZ 4.26Å
113	D	93.3	Very high	95.1	Very high	143 Å²	143	42.1 Å²	42.1	77%	0.765	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-39.1	-177.4	-64.5	-32.2	0	0	0	112.7	T111 M115	T111-D113 VanDerWaalsContact C-N 3.29Å; T111-D113 PolarHBondContact O-N 2.83Å; D113-M115 VanDerWaalsContact C-N 3.33Å
114	Q	93.9	Very high	95.1	Very high	116 Å²	116	43.7 Å²	43.7	54%	0.542	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.6	179.6	-66.6	170.7	-18.3	0	0	113	A109 S110 T111 V112 K116	A109-Q114 VanDerWaalsContact CB-C 3.42Å; A109-Q114 HydrophobicContact CB-CB 3.67Å; A109-Q114 WeakPolarHBondContact CB-O 3.35Å; S110-Q114 PolarHBondContact OG-OE1 2.77Å; S110-Q114 VanDerWaalsContact OG-OE1 3.1Å; T111-Q114 PolarHBondContact O-N 3.23Å; T111-Q114 WeakPolarHBondContact OG1-CB 3.32Å; T111-Q114 VanDerWaalsContact OG1-CD 3.27Å; T111-Q114 VanDerWaalsContact OG1-CG 3.27Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.37Å; T111-Q114 PolarHBondContact OG1-N 3.35Å; T111-Q114 PolarHBondContact OG1-OE1 2.63Å; T111-Q114 VanDerWaalsContact OG1-OE1 3.1Å; V112-Q114 VanDerWaalsContact C-N 3.34Å; V112-Q114 PolarHBondContact O-N 3.29Å; Q114-K116 PolarHBondContact O-N 3.4Å
115	M	94.3	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.			trans	-73.2	95	-178.3	-172.6	177.9	60	0	0	110.2	F76 R108 A109 T111 V112 D113 I118 K361 F365	F76-M115 WeakPolarHBondContact CD2-O 3.43Å; F76-M115 HydrophobicContact CE1-CE 3.84Å; F76-M115 HydrophobicContact CE2-CE 4.24Å; F76-M115 HydrophobicContact CE2-CG 3.81Å; F76-M115 VanDerWaalsContact CE2-O 3.29Å; F76-M115 WeakPolarHBondContact CE2-O 3.35Å; F76-M115 HydrophobicContact CE2-SD 4.48Å; F76-M115 HydrophobicContact CZ-CE 3.43Å; F76-M115 VanDerWaalsContact CZ-CE 3.43Å; F76-M115 HydrophobicContact CZ-CG 3.82Å; F76-M115 HydrophobicContact CZ-SD 3.89Å; R108-M115 HydrophobicContact CB-CG 4.33Å; R108-M115 HydrophobicContact CB-SD 4.09Å; A109-M115 HydrophobicContact CB-CB 4.27Å; T111-M115 PolarHBondContact O-N 3.08Å; T111-M115 VanDerWaalsContact O-N 3.17Å; V112-M115 WeakPolarHBondContact O-CB 3.48Å; V112-M115 PolarHBondContact O-N 3.4Å; D113-M115 VanDerWaalsContact C-N 3.33Å; M115-I118 HydrophobicContact CG-CG1 4.47Å; M115-I118 HydrophobicContact SD-CG1 4.21Å; M115-K361 HydrophobicContact CE-CG 3.75Å; M115-K361 WeakPolarHBondContact O-CE 3.4Å; M115-K361 PolarHBondContact O-NZ 3.38Å; M115-F365 HydrophobicContact CE-CB 3.85Å; M115-F365 HydrophobicContact CE-CD2 4.12Å; M115-F365 HydrophobicContact CE-CG 4.49Å; M115-F365 HydrophobicContact SD-CB 4.46Å; M115-F365 HydrophobicContact SD-CD2 3.96Å
116	K	93.3	Very high	95	Very high	160 Å²	160	46.7 Å²	46.7	70%	0.696	24%	0.243	S	C	*	.			trans	-95.4	-37.1	172.9	-64.4	-178.4	-178.6	177.9	0	112.3	F76 Q114	F76-K116 VanDerWaalsContact CD2-O 3.27Å; F76-K116 WeakPolarHBondContact CD2-O 3.46Å; F76-K116 WeakPolarHBondContact CE2-O 3.29Å; Q114-K116 PolarHBondContact O-N 3.4Å
117	D	94.8	Very high	94.9	Very high	27 Å²	27	48.4 Å²	48.4	14%	0.144	25%	0.254	C	S	.	.			trans	-126.3	151.6	-177.1	-62.3	-48.2	0	0	0	110.3	K72 I73 S74 Y119	K72-D117 VanDerWaalsContact CE-OD1 3.25Å; K72-D117 WeakPolarHBondContact CE-OD1 3.47Å; K72-D117 WeakPolarHBondContact CE-OD2 3.49Å; K72-D117 IonicContact NZ-OD1 2.85Å; K72-D117 IonicContact NZ-OD2 3.14Å; K72-D117 PolarHBondContact NZ-OD2 2.87Å; I73-D117 CarbonylContact O-C 3.52Å; I73-D117 WeakPolarHBondContact O-CA 3.04Å; S74-D117 WeakPolarHBondContact CB-OD1 3.5Å; S74-D117 PolarHBondContact OG-OD1 3.44Å; D117-Y119 HydrophobicContact CB-CE2 3.94Å
118	I	96.1	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.1	168.5	-60.1	162.3	0	0	0	107.7	K72 I73 P75 F76 T85 I106 M115 I120 I364 I368	K72-I118 WeakPolarHBondContact CA-O 3.08Å; I73-I118 PolarHBondContact N-O 3.01Å; I73-I118 PolarHBondContact O-N 3.24Å; P75-I118 HydrophobicContact CG-CD1 4.31Å; F76-I118 HydrophobicContact CE1-CD1 4.28Å; F76-I118 HydrophobicContact CE2-CD1 4.4Å; F76-I118 HydrophobicContact CE2-CG1 4.36Å; F76-I118 HydrophobicContact CZ-CD1 3.6Å; F76-I118 HydrophobicContact CZ-CG1 3.94Å; T85-I118 HydrophobicContact CG2-CD1 3.88Å; I106-I118 HydrophobicContact CG2-CG2 3.49Å; I106-I118 VanDerWaalsContact CG2-CG2 3.49Å; M115-I118 HydrophobicContact CG-CG1 4.47Å; M115-I118 HydrophobicContact SD-CG1 4.21Å; I118-I120 HydrophobicContact CG2-CG1 4.16Å; I118-I364 HydrophobicContact CD1-CG2 3.41Å; I118-I364 VanDerWaalsContact CD1-CG2 3.41Å; I118-I368 HydrophobicContact CD1-CD1 4.18Å; I118-I368 HydrophobicContact CG1-CD1 4.25Å; I118-I368 HydrophobicContact CG2-CD1 4.1Å
119	Y	96.8	Very high	95	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.8	174.7	-50	-97	0	0	0	109.5	F36 E37 V38 I70 K71 K72 I106 I107 D117	F36-Y119 HydrophobicContact CB-CE1 4.38Å; F36-Y119 AromaticContact CD1-CD1 3.92Å; F36-Y119 HydrophobicContact CD1-CD1 3.92Å; F36-Y119 AromaticContact CD1-CE1 3.76Å; F36-Y119 HydrophobicContact CD1-CE1 3.76Å; F36-Y119 HydrophobicContact CE1-CD1 4.28Å; F36-Y119 HydrophobicContact CE1-CE1 4.31Å; F36-Y119 HydrophobicContact CG-CE1 4.19Å; E37-Y119 HydrophobicContact CB-CE2 4.2Å; E37-Y119 PolarHBondContact N-OH 3.21Å; E37-Y119 VanDerWaalsContact N-OH 3.15Å; V38-Y119 HydrophobicContact CG1-CD1 3.46Å; V38-Y119 VanDerWaalsContact CG1-CD1 3.46Å; V38-Y119 HydrophobicContact CG1-CD2 4.21Å; V38-Y119 HydrophobicContact CG1-CE1 3.87Å; V38-Y119 HydrophobicContact CG1-CG 3.66Å; I70-Y119 HydrophobicContact CG2-CD1 4.22Å; I70-Y119 HydrophobicContact CG2-CG 4.48Å; K71-Y119 WeakPolarHBondContact O-CA 3.37Å; K72-Y119 HydrophobicContact CB-CD1 3.88Å; K72-Y119 HydrophobicContact CB-CE1 3.92Å; K72-Y119 HydrophobicContact CD-CE1 3.78Å; K72-Y119 HydrophobicContact CG-CD1 4.02Å; K72-Y119 HydrophobicContact CG-CE1 3.63Å; I106-Y119 CarbonylContact C-O 3.51Å; I106-Y119 WeakPolarHBondContact CA-O 3.5Å; I107-Y119 HydrophobicContact CB-CD2 4.06Å; I107-Y119 HydrophobicContact CB-CG 4.41Å; I107-Y119 HydrophobicContact CG2-CD2 4.34Å; I107-Y119 PolarHBondContact N-O 3.25Å; I107-Y119 PolarHBondContact O-N 2.97Å; D117-Y119 HydrophobicContact CB-CE2 3.94Å
120	I	96.3	Very high	95	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.6	177.2	-55.2	-178.1	0	0	0	108.1	I70 K71 I73 I89 I103 I118 Q122	I70-I120 WeakPolarHBondContact CA-O 3.28Å; K71-I120 PolarHBondContact N-O 3.29Å; K71-I120 PolarHBondContact O-N 2.93Å; I73-I120 HydrophobicContact CD1-CD1 3.66Å; I73-I120 HydrophobicContact CD1-CG1 4.22Å; I89-I120 HydrophobicContact CD1-CD1 4.46Å; I89-I120 HydrophobicContact CG1-CD1 3.96Å; I103-I120 HydrophobicContact CB-CG2 4.49Å; I103-I120 HydrophobicContact CD1-CG2 4.05Å; I103-I120 HydrophobicContact CG1-CG2 3.76Å; I103-I120 HydrophobicContact CG2-CG2 4.14Å; I118-I120 HydrophobicContact CG2-CG1 4.16Å; I120-Q122 HydrophobicContact CG2-CG 3.94Å
121	V	97.2	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	178.1	-172.9	0	0	0	0	109.1	Y42 V68 A69 I70 Q104 D105 I107	Y42-V121 HydrophobicContact CE1-CG1 3.81Å; Y42-V121 HydrophobicContact CE1-CG2 4.31Å; Y42-V121 HydrophobicContact CE2-CG2 4.01Å; V68-V121 HydrophobicContact CB-CG1 3.81Å; V68-V121 HydrophobicContact CG1-CG1 4.17Å; V68-V121 HydrophobicContact CG2-CG1 3.76Å; A69-V121 CarbonylContact O-C 3.56Å; A69-V121 WeakPolarHBondContact O-CA 3.27Å; I70-V121 HydrophobicContact CD1-CG2 4.43Å; I70-V121 HydrophobicContact CG1-CG1 4.43Å; I70-V121 HydrophobicContact CG1-CG2 4.21Å; Q104-V121 HydrophobicContact CB-CG1 4.35Å; Q104-V121 PolarHBondContact N-O 3.02Å; D105-V121 HydrophobicContact CB-CB 3.82Å; D105-V121 HydrophobicContact CB-CG2 3.88Å; D105-V121 PolarHBondContact N-O 3.16Å; D105-V121 WeakPolarHBondContact O-CB 3.3Å; D105-V121 PolarHBondContact O-N 3.07Å; I107-V121 HydrophobicContact CD1-CG2 4.24Å; I107-V121 HydrophobicContact CG1-CG2 4.4Å
122	Q	96.4	Very high	95.2	Very high	17 Å²	17	47 Å²	47	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167.3	-175.2	-57.4	-178.3	-58.2	0	0	110.1	V68 A69 I101 N102 I120	V68-Q122 WeakPolarHBondContact CB-O 3.01Å; A69-Q122 PolarHBondContact N-O 3.08Å; A69-Q122 PolarHBondContact O-N 3.05Å; I101-Q122 HydrophobicContact CD1-CB 4.19Å; I101-Q122 HydrophobicContact CG1-CB 4Å; I101-Q122 HydrophobicContact CG1-CG 4.25Å; N102-Q122 WeakPolarHBondContact O-CA 3.36Å; N102-Q122 WeakPolarHBondContact O-CB 3.01Å; N102-Q122 WeakPolarHBondContact O-CG 3.46Å; I120-Q122 HydrophobicContact CG2-CG 3.94Å
123	C	94.5	Very high	95.3	Very high	24 Å²	24	45.6 Å²	45.6	16%	0.162	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	141.4	169.6	50	0	0	0	0	110.8	I101 N102	I101-C123 WeakPolarHBondContact CD1-SG 3.17Å; N102-C123 PolarHBondContact OD1-SG 2.83Å
124	L	96	Very high	95.4	Very high	48 Å²	48	45.4 Å²	45.4	25%	0.251	21%	0.212	S	C	.	.			trans	-78.3	130.7	175.6	-177.6	62.9	0	0	0	109.3	I48 R67 A69	I48-L124 HydrophobicContact CD1-CD1 3.45Å; I48-L124 VanDerWaalsContact CD1-CD1 3.45Å; R67-L124 HydrophobicContact CB-CD2 3.65Å; A69-L124 HydrophobicContact CB-CD1 4.11Å
125	M	95.3	Very high	95.4	Very high	21 Å²	21	44.7 Å²	44.7	10%	0.103	22%	0.216	C	C	.	.			trans	-118.5	142.5	172.5	-56.3	-67.4	-73.6	0	0	108.4	L173 N175 D179 K181	M125-L173 HydrophobicContact CB-CB 3.72Å; M125-L173 HydrophobicContact CB-CD1 4.3Å; M125-L173 HydrophobicContact CE-CB 4.19Å; M125-L173 HydrophobicContact CG-CB 3.65Å; M125-L173 HydrophobicContact CG-CD1 3.95Å; M125-L173 HydrophobicContact CG-CG 4.44Å; M125-N175 HydrophobicContact CE-CB 4.06Å; M125-N175 HydrophobicContact SD-CB 4.39Å; M125-D179 WeakPolarHBondContact CE-O 3.44Å; M125-K181 HydrophobicContact CE-CB 4.23Å; M125-K181 HydrophobicContact CE-CD 4.16Å; M125-K181 HydrophobicContact CE-CG 4Å; M125-K181 HydrophobicContact SD-CD 3.86Å; M125-K181 HydrophobicContact SD-CG 4.37Å
126	E	91.9	Very high	95.3	Very high	113 Å²	113	49.8 Å²	49.8	53%	0.528	24%	0.239	S	C	.	.	S	Bend	trans	-74.7	-37.7	-170.8	-76	78.1	179.4	0	0	112.9	L174 N175 T176	E126-L174 PolarHBondContact N-O 2.93Å; E126-L174 VanDerWaalsContact N-O 3.16Å; E126-N175 WeakPolarHBondContact OE2-CA 3.43Å; E126-N175 WeakPolarHBondContact OE2-CB 3.42Å; E126-T176 HydrophobicContact CG-CG2 3.85Å
127	T	94.6	Very high	95.2	Very high	38 Å²	38	49.2 Å²	49.2	23%	0.233	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-178	-178.9	-165	0	0	0	0	111.3	K131 L174	T127-K131 WeakPolarHBondContact OG1-CB 3.46Å; T127-L174 HydrophobicContact CG2-CB 3.86Å; T127-L174 HydrophobicContact CG2-CD1 4.5Å; T127-L174 PolarHBondContact N-O 3.35Å; T127-L174 PolarHBondContact O-N 3.26Å
128	D	96.1	Very high	95.2	Very high	16 Å²	16	49.5 Å²	49.5	9%	0.086	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160.6	168.9	52.8	69.2	0	0	0	109	Y130 K131 L132 L172 L173	D128-Y130 PolarHBondContact O-N 3.16Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.21Å; D128-Y130 PolarHBondContact OD1-N 3.03Å; D128-K131 PolarHBondContact O-N 3.27Å; D128-K131 WeakPolarHBondContact OD1-CG 3.36Å; D128-K131 PolarHBondContact OD1-N 3.06Å; D128-K131 WeakPolarHBondContact OD2-CD 3.18Å; D128-K131 WeakPolarHBondContact OD2-CE 3.42Å; D128-K131 IonicContact OD2-NZ 2.6Å; D128-K131 PolarHBondContact OD2-NZ 3.29Å; D128-L132 PolarHBondContact O-N 2.71Å; D128-L132 VanDerWaalsContact O-N 3.07Å; D128-L172 CarbonylContact C-O 3.57Å; D128-L172 VanDerWaalsContact CA-O 3.29Å; D128-L172 WeakPolarHBondContact CA-O 3.37Å; D128-L173 HydrophobicContact CB-CD2 4.12Å
129	L	97.6	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-32.7	-178.6	-175.7	67.3	0	0	0	111.3	L132 L133 L138 F146 P169 L172 L174 I234 M238	L129-L132 HydrophobicContact CD1-CD2 4.33Å; L129-L132 PolarHBondContact O-N 3.48Å; L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 HydrophobicContact CD1-CD2 4.46Å; L129-L133 HydrophobicContact CD1-CG 4.17Å; L129-L133 HydrophobicContact CD2-CD1 4.43Å; L129-L133 HydrophobicContact CG-CD1 3.93Å; L129-L133 HydrophobicContact CG-CG 4.16Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.26Å; L129-L138 HydrophobicContact CD1-CD1 4.32Å; L129-F146 HydrophobicContact CD1-CD2 4.25Å; L129-F146 HydrophobicContact CD1-CE2 4.48Å; L129-P169 HydrophobicContact CB-CB 4.05Å; L129-P169 WeakPolarHBondContact CB-O 3.46Å; L129-P169 HydrophobicContact CD2-CB 4.15Å; L129-P169 HydrophobicContact CG-CB 4.1Å; L129-P169 PolarHBondContact N-O 2.82Å; L129-L172 HydrophobicContact CB-CB 4.04Å; L129-L172 HydrophobicContact CD2-CD1 3.69Å; L129-L172 PolarHBondContact N-O 2.92Å; L129-L174 HydrophobicContact CB-CD1 4.18Å; L129-L174 HydrophobicContact CD1-CD1 4.06Å; L129-I234 HydrophobicContact CD2-CG2 3.75Å; L129-M238 HydrophobicContact CD1-CG 4.38Å; L129-M238 HydrophobicContact CD1-SD 4.15Å; L129-M238 HydrophobicContact CD2-CG 3.98Å; L129-M238 HydrophobicContact CD2-SD 3.86Å
130	Y	95.8	Very high	95.2	Very high	94 Å²	94	54.4 Å²	54.4	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-46.8	176.3	177.6	-103.1	0	0	0	112.7	D128 K134 P169	D128-Y130 PolarHBondContact O-N 3.16Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.21Å; D128-Y130 PolarHBondContact OD1-N 3.03Å; Y130-K134 HydrophobicContact CE1-CD 4.24Å; Y130-K134 PolarHBondContact O-N 2.83Å; Y130-K134 WeakPolarHBondContact OH-CE 3.33Å; Y130-K134 PolarHBondContact OH-NZ 3.36Å; Y130-P169 PolarHBondContact N-O 3.45Å; Y130-P169 VanDerWaalsContact N-O 3.15Å
131	K	94.8	Very high	95.2	Very high	94 Å²	94	59 Å²	59	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-66	-38.3	174.7	-73.9	172.1	-170.6	138.7	0	111.9	T127 D128 K134 T135	T127-K131 WeakPolarHBondContact OG1-CB 3.46Å; D128-K131 PolarHBondContact O-N 3.27Å; D128-K131 WeakPolarHBondContact OD1-CG 3.36Å; D128-K131 PolarHBondContact OD1-N 3.06Å; D128-K131 WeakPolarHBondContact OD2-CD 3.18Å; D128-K131 WeakPolarHBondContact OD2-CE 3.42Å; D128-K131 IonicContact OD2-NZ 2.6Å; D128-K131 PolarHBondContact OD2-NZ 3.29Å; K131-K134 PolarHBondContact O-N 3.32Å; K131-T135 PolarHBondContact O-OG1 3.1Å
132	L	96.3	Very high	95.2	Very high	34 Å²	34	62.9 Å²	62.9	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-50.8	178.8	-173.1	64.9	0	0	0	111	D128 L129 K134 T135 Q136 L138 F146 L174	D128-L132 PolarHBondContact O-N 2.71Å; D128-L132 VanDerWaalsContact O-N 3.07Å; L129-L132 HydrophobicContact CD1-CD2 4.33Å; L129-L132 PolarHBondContact O-N 3.48Å; L132-K134 PolarHBondContact O-N 3.06Å; L132-K134 VanDerWaalsContact O-N 3.17Å; L132-T135 PolarHBondContact O-N 3.37Å; L132-T135 PolarHBondContact O-OG1 3Å; L132-Q136 HydrophobicContact CD1-CB 3.93Å; L132-Q136 HydrophobicContact CD1-CG 3.62Å; L132-Q136 HydrophobicContact CG-CB 4.38Å; L132-Q136 PolarHBondContact O-N 3.21Å; L132-L138 HydrophobicContact CD2-CD2 3.78Å; L132-L138 HydrophobicContact CG-CD2 4.15Å; L132-F146 HydrophobicContact CD2-CE2 3.88Å; L132-F146 HydrophobicContact CD2-CZ 4.02Å; L132-L174 HydrophobicContact CB-CD1 4.32Å; L132-L174 HydrophobicContact CD2-CD1 3.52Å
133	L	96.5	Very high	95.2	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-24.6	-178.9	-67.1	175.5	0	0	0	113.6	L129 T135 L138 P169 E237 M238 S241	L129-L133 HydrophobicContact CD1-CD1 4.38Å; L129-L133 HydrophobicContact CD1-CD2 4.46Å; L129-L133 HydrophobicContact CD1-CG 4.17Å; L129-L133 HydrophobicContact CD2-CD1 4.43Å; L129-L133 HydrophobicContact CG-CD1 3.93Å; L129-L133 HydrophobicContact CG-CG 4.16Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.36Å; L129-L133 PolarHBondContact O-N 3.26Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-L138 HydrophobicContact CD2-CD1 3.63Å; L133-L138 HydrophobicContact CD2-CG 4.14Å; L133-P169 HydrophobicContact CD1-CB 4.36Å; L133-P169 HydrophobicContact CD1-CG 4.39Å; L133-E237 HydrophobicContact CD1-CG 3.95Å; L133-M238 HydrophobicContact CD1-CG 4.23Å; L133-M238 HydrophobicContact CD2-CB 4.31Å; L133-M238 HydrophobicContact CD2-CG 4.25Å; L133-S241 VanDerWaalsContact O-CB 3.28Å; L133-S241 WeakPolarHBondContact O-CB 3.09Å; L133-S241 PolarHBondContact O-OG 3.12Å
134	K	94.9	Very high	95.4	Very high	138 Å²	138	61.4 Å²	61.4	60%	0.6	31%	0.31	S	S	*	.	H	α-helix	trans	-72	-23.6	173.7	-76.8	-174.7	177.3	-177.3	0	114.4	Y130 K131 L132	Y130-K134 HydrophobicContact CE1-CD 4.24Å; Y130-K134 PolarHBondContact O-N 2.83Å; Y130-K134 WeakPolarHBondContact OH-CE 3.33Å; Y130-K134 PolarHBondContact OH-NZ 3.36Å; K131-K134 PolarHBondContact O-N 3.32Å; L132-K134 PolarHBondContact O-N 3.06Å; L132-K134 VanDerWaalsContact O-N 3.17Å
135	T	93.7	Very high	95.5	Very high	102 Å²	102	62.3 Å²	62.3	63%	0.626	31%	0.31	S	S	*	.	H	α-helix	trans	-122.6	-20.3	-167.2	59	0	0	0	0	113.7	K131 L132 L133	K131-T135 PolarHBondContact O-OG1 3.1Å; L132-T135 PolarHBondContact O-N 3.37Å; L132-T135 PolarHBondContact O-OG1 3Å; L133-T135 VanDerWaalsContact C-N 3.32Å
136	Q	92.4	Very high	95.7	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.5	31%	0.305	S	S	.	.			trans	-128.9	145.8	-174.9	-57.5	-59	-38.2	0	0	111	L132	L132-Q136 HydrophobicContact CD1-CB 3.93Å; L132-Q136 HydrophobicContact CD1-CG 3.62Å; L132-Q136 HydrophobicContact CG-CB 4.38Å; L132-Q136 PolarHBondContact O-N 3.21Å
137	N	90.9	Very high	96	Very high	148 Å²	148	56 Å²	56	79%	0.791	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-93.4	130.5	163.5	-66.9	-38	0	0	0	107.9
138	L	94.4	Very high	96.2	Very high	32 Å²	32	55 Å²	55	17%	0.168	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-86.2	137.3	-178.9	-59.1	-179	0	0	0	110.4	L129 L132 L133 H142 L143 F146 M238	L129-L138 HydrophobicContact CD1-CD1 4.32Å; L132-L138 HydrophobicContact CD2-CD2 3.78Å; L132-L138 HydrophobicContact CG-CD2 4.15Å; L133-L138 HydrophobicContact CD2-CD1 3.63Å; L133-L138 HydrophobicContact CD2-CG 4.14Å; L138-H142 HydrophobicContact CB-CB 4.28Å; L138-H142 HydrophobicContact CD2-CB 4.41Å; L138-L143 HydrophobicContact CB-CD2 3.75Å; L138-L143 HydrophobicContact CB-CG 4.1Å; L138-L143 HydrophobicContact CD1-CD2 3.81Å; L138-L143 HydrophobicContact CG-CD2 4.41Å; L138-F146 HydrophobicContact CD1-CD2 4.02Å; L138-F146 HydrophobicContact CD1-CE2 4.05Å; L138-F146 HydrophobicContact CD2-CE2 4.01Å; L138-M238 HydrophobicContact CD1-CB 4.21Å; L138-M238 HydrophobicContact CD1-CG 4.3Å; L138-M238 HydrophobicContact CD1-SD 4.33Å
139	S	95.9	Very high	96.3	Very high	52 Å²	52	54.4 Å²	54.4	36%	0.364	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-71.7	159.9	166.7	67	0	0	0	0	110.2	D141 H142 L143	S139-D141 PolarHBondContact O-N 2.98Å; S139-H142 PolarHBondContact O-N 2.93Å; S139-H142 VanDerWaalsContact O-N 3.1Å; S139-H142 PolarHBondContact OG-N 2.98Å; S139-H142 PolarHBondContact OG-ND1 2.95Å; S139-L143 WeakPolarHBondContact O-CG 3.37Å; S139-L143 PolarHBondContact O-N 3.36Å
140	N	96.7	Very high	96.4	Very high	56 Å²	56	54.4 Å²	54.4	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-55.8	-35.7	176.5	-173.5	58.8	0	0	0	112.8	L143 C144 Y329	N140-L143 WeakPolarHBondContact O-CB 3.38Å; N140-L143 PolarHBondContact O-N 3.26Å; N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 3.13Å; N140-Y329 PolarHBondContact OD1-OH 3.42Å
141	D	97.2	Very high	96.5	Very high	98 Å²	98	50 Å²	50	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-42.8	177.7	-56.3	-28	0	0	0	111.7	S139 L143 C144 Y145	S139-D141 PolarHBondContact O-N 2.98Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.92Å; D141-C144 PolarHBondContact O-N 3.46Å; D141-Y145 WeakPolarHBondContact O-CB 3.16Å; D141-Y145 PolarHBondContact O-N 3.41Å
142	H	97.1	Very high	96.7	Very high	81 Å²	81	46 Å²	46	38%	0.375	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-40.7	173.5	-70.7	113	0	0	0	111.6	L138 S139 Y145 F146	L138-H142 HydrophobicContact CB-CB 4.28Å; L138-H142 HydrophobicContact CD2-CB 4.41Å; S139-H142 PolarHBondContact O-N 2.93Å; S139-H142 VanDerWaalsContact O-N 3.1Å; S139-H142 PolarHBondContact OG-N 2.98Å; S139-H142 PolarHBondContact OG-ND1 2.95Å; H142-Y145 PolarHBondContact O-N 2.91Å; H142-F146 HydrophobicContact CB-CD2 4.41Å; H142-F146 HydrophobicContact CB-CE2 4.09Å; H142-F146 WeakPolarHBondContact O-CB 3.16Å; H142-F146 WeakPolarHBondContact O-CD2 3.42Å; H142-F146 VanDerWaalsContact O-CG 3.28Å; H142-F146 WeakPolarHBondContact O-CG 3.43Å; H142-F146 PolarHBondContact O-N 2.72Å
143	L	97.3	Very high	96.8	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-50.2	175.8	-64.7	179.4	0	0	0	111.6	L138 S139 N140 D141 L147 M238 L239	L138-L143 HydrophobicContact CB-CD2 3.75Å; L138-L143 HydrophobicContact CB-CG 4.1Å; L138-L143 HydrophobicContact CD1-CD2 3.81Å; L138-L143 HydrophobicContact CG-CD2 4.41Å; S139-L143 WeakPolarHBondContact O-CG 3.37Å; S139-L143 PolarHBondContact O-N 3.36Å; N140-L143 WeakPolarHBondContact O-CB 3.38Å; N140-L143 PolarHBondContact O-N 3.26Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 2.92Å; L143-L147 VanDerWaalsContact O-CB 3.24Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 PolarHBondContact O-N 3.48Å; L143-M238 HydrophobicContact CD2-CB 3.27Å; L143-M238 HydrophobicContact CD2-CG 4.31Å; L143-M238 WeakPolarHBondContact CD2-O 3.32Å; L143-M238 HydrophobicContact CD2-SD 4.3Å; L143-L239 HydrophobicContact CD1-CD2 3.67Å; L143-L239 HydrophobicContact CD1-CG 4.45Å
144	C	98	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-45.9	179.1	-174.4	0	0	0	0	110.7	N140 D141 L147 Y148 Y329 Q332 Y333	N140-C144 WeakPolarHBondContact O-CB 3.21Å; N140-C144 PolarHBondContact O-N 3.13Å; D141-C144 PolarHBondContact O-N 3.46Å; C144-L147 PolarHBondContact O-N 3.03Å; C144-Y148 WeakPolarHBondContact O-CB 3.3Å; C144-Y148 PolarHBondContact O-N 3.35Å; C144-Y329 HydrophobicContact CB-CE1 4.19Å; C144-Y329 HydrophobicContact CB-CE2 4.46Å; C144-Y329 PolarHBondContact SG-O 3.03Å; C144-Q332 PolarHBondContact SG-NE2 3.41Å; C144-Y333 HydrophobicContact CB-CE2 4.18Å
145	Y	98.3	Very high	97.1	Very high	66 Å²	66	38.4 Å²	38.4	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-67.3	-44	-178.8	-172.8	-131	0	0	0	113.2	D141 H142 Y148 Q149 C178 Y333	D141-Y145 WeakPolarHBondContact O-CB 3.16Å; D141-Y145 PolarHBondContact O-N 3.41Å; H142-Y145 PolarHBondContact O-N 2.91Å; Y145-Y148 PolarHBondContact O-N 2.86Å; Y145-Q149 VanDerWaalsContact CD1-NE2 3.35Å; Y145-Q149 HydrophobicContact CD2-CG 4.47Å; Y145-Q149 HydrophobicContact CE2-CG 4.17Å; Y145-Q149 VanDerWaalsContact CZ-NE2 3.3Å; Y145-Q149 WeakPolarHBondContact O-CG 3.33Å; Y145-Q149 PolarHBondContact O-N 2.71Å; Y145-Q149 VanDerWaalsContact O-N 3.07Å; Y145-C178 HydrophobicContact CD1-CB 4.24Å; Y145-C178 HydrophobicContact CE1-CB 4.11Å; Y145-C178 WeakPolarHBondContact CE1-O 3.38Å; Y145-Y333 HydrophobicContact CD2-CD1 4.22Å; Y145-Y333 AromaticContact CD2-CE1 3.74Å; Y145-Y333 HydrophobicContact CD2-CE1 3.74Å; Y145-Y333 HydrophobicContact CD2-CE2 4.11Å; Y145-Y333 AromaticContact CD2-CZ 3.7Å; Y145-Y333 HydrophobicContact CE2-CE1 4.31Å
146	F	98.5	Very high	97.3	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-65.1	-42.7	175.1	-66.6	-37.1	0	0	0	111.6	L129 L132 L138 H142 Y148 Q149 I150 L174 C178 L180 M238	L129-F146 HydrophobicContact CD1-CD2 4.25Å; L129-F146 HydrophobicContact CD1-CE2 4.48Å; L132-F146 HydrophobicContact CD2-CE2 3.88Å; L132-F146 HydrophobicContact CD2-CZ 4.02Å; L138-F146 HydrophobicContact CD1-CD2 4.02Å; L138-F146 HydrophobicContact CD1-CE2 4.05Å; L138-F146 HydrophobicContact CD2-CE2 4.01Å; H142-F146 HydrophobicContact CB-CD2 4.41Å; H142-F146 HydrophobicContact CB-CE2 4.09Å; H142-F146 WeakPolarHBondContact O-CB 3.16Å; H142-F146 WeakPolarHBondContact O-CD2 3.42Å; H142-F146 VanDerWaalsContact O-CG 3.28Å; H142-F146 WeakPolarHBondContact O-CG 3.43Å; H142-F146 PolarHBondContact O-N 2.72Å; F146-Y148 VanDerWaalsContact C-N 3.35Å; F146-Y148 PolarHBondContact O-N 2.9Å; F146-Q149 PolarHBondContact O-N 3.49Å; F146-I150 WeakPolarHBondContact O-CD1 3.37Å; F146-I150 WeakPolarHBondContact O-CG1 3.21Å; F146-I150 PolarHBondContact O-N 3.46Å; F146-L174 HydrophobicContact CD1-CD2 3.82Å; F146-L174 HydrophobicContact CE1-CD1 4.27Å; F146-L174 HydrophobicContact CE1-CD2 3.49Å; F146-L174 VanDerWaalsContact CE1-CD2 3.49Å; F146-L174 HydrophobicContact CZ-CD1 4.09Å; F146-L174 HydrophobicContact CZ-CD2 4.15Å; F146-C178 HydrophobicContact CE1-CB 3.69Å; F146-C178 HydrophobicContact CZ-CB 4.07Å; F146-L180 HydrophobicContact CB-CD1 4.2Å; F146-L180 HydrophobicContact CD1-CD1 4.23Å; F146-L180 HydrophobicContact CG-CD1 4.5Å; F146-M238 HydrophobicContact CB-SD 4.07Å; F146-M238 HydrophobicContact CD2-SD 4.39Å
147	L	98.7	Very high	97.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61	-44.5	177.4	-176.1	63.5	0	0	0	111.7	L143 C144 I150 L151 V231 L235 M238 L306 M310 Y329 L330	L143-L147 VanDerWaalsContact O-CB 3.24Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 PolarHBondContact O-N 3.48Å; C144-L147 PolarHBondContact O-N 3.03Å; L147-I150 PolarHBondContact O-N 3.38Å; L147-L151 HydrophobicContact CD1-CD1 4.18Å; L147-L151 HydrophobicContact CD1-CG 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.97Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.39Å; L147-V231 HydrophobicContact CD1-CG1 3.59Å; L147-L235 HydrophobicContact CD1-CB 4.39Å; L147-L235 HydrophobicContact CD2-CD1 4.04Å; L147-L235 HydrophobicContact CD2-CD2 3.84Å; L147-L235 HydrophobicContact CD2-CG 4.46Å; L147-M238 HydrophobicContact CB-CE 4.37Å; L147-L306 HydrophobicContact CD2-CD2 3.69Å; L147-M310 HydrophobicContact CD1-CE 4.23Å; L147-Y329 HydrophobicContact CD2-CD1 3.99Å; L147-Y329 HydrophobicContact CD2-CE1 3.96Å; L147-L330 HydrophobicContact CB-CD2 4.39Å; L147-L330 HydrophobicContact CD2-CD2 4.17Å; L147-L330 HydrophobicContact CG-CD2 4.37Å
148	Y	98.8	Very high	97.9	Very high	16 Å²	16	22.4 Å²	22.4	6%	0.063	11%	0.112	C	C	.	.	H	α-helix	trans	-56.2	-51.7	174.8	170.7	-103	0	0	0	111.4	C144 Y145 F146 I150 L151 R152 L325 Y333	C144-Y148 WeakPolarHBondContact O-CB 3.3Å; C144-Y148 PolarHBondContact O-N 3.35Å; Y145-Y148 PolarHBondContact O-N 2.86Å; F146-Y148 VanDerWaalsContact C-N 3.35Å; F146-Y148 PolarHBondContact O-N 2.9Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; Y148-I150 PolarHBondContact O-N 3.34Å; Y148-L151 PolarHBondContact O-N 2.9Å; Y148-R152 WeakPolarHBondContact O-CB 3.36Å; Y148-R152 PolarHBondContact O-N 3.33Å; Y148-L325 HydrophobicContact CD2-CD2 3.84Å; Y148-L325 HydrophobicContact CE2-CD2 4Å; Y148-Y333 HydrophobicContact CD1-CG 4.15Å; Y148-Y333 VanDerWaalsContact CD2-CB 3.46Å; Y148-Y333 HydrophobicContact CD2-CG 4.47Å; Y148-Y333 WeakPolarHBondContact CE2-O 3.45Å; Y148-Y333 VanDerWaalsContact CG-CB 3.47Å; Y148-Y333 HydrophobicContact CG-CD2 4.24Å; Y148-Y333 HydrophobicContact CG-CG 4.05Å; Y148-Y333 PolarHBondContact OH-O 2.94Å
149	Q	98.8	Very high	98	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-37.1	-179.5	-71.7	-176.5	80.6	0	0	113.2	N99 Y145 F146 G153 C178 L180	N99-Q149 VanDerWaalsContact CB-O 3.31Å; N99-Q149 WeakPolarHBondContact CB-O 3.07Å; N99-Q149 WeakPolarHBondContact ND2-CB 3.27Å; N99-Q149 PolarHBondContact ND2-OE1 3.34Å; Y145-Q149 VanDerWaalsContact CD1-NE2 3.35Å; Y145-Q149 HydrophobicContact CD2-CG 4.47Å; Y145-Q149 HydrophobicContact CE2-CG 4.17Å; Y145-Q149 VanDerWaalsContact CZ-NE2 3.3Å; Y145-Q149 WeakPolarHBondContact O-CG 3.33Å; Y145-Q149 PolarHBondContact O-N 2.71Å; Y145-Q149 VanDerWaalsContact O-N 3.07Å; F146-Q149 PolarHBondContact O-N 3.49Å; Q149-G153 PolarHBondContact O-N 2.88Å; Q149-C178 PolarHBondContact NE2-O 2.91Å; Q149-L180 HydrophobicContact CB-CB 3.94Å; Q149-L180 HydrophobicContact CB-CD2 4.35Å
150	I	98.8	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-49.6	173.9	-67.4	160.8	0	0	0	109.9	F146 L147 Y148 G153 L154 L172 L180 V231 I234	F146-I150 WeakPolarHBondContact O-CD1 3.37Å; F146-I150 WeakPolarHBondContact O-CG1 3.21Å; F146-I150 PolarHBondContact O-N 3.46Å; L147-I150 PolarHBondContact O-N 3.38Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; Y148-I150 PolarHBondContact O-N 3.34Å; I150-G153 PolarHBondContact O-N 3.46Å; I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 PolarHBondContact O-N 3.01Å; I150-L172 HydrophobicContact CD1-CD1 3.52Å; I150-L172 HydrophobicContact CG1-CD1 3.86Å; I150-L172 HydrophobicContact CG1-CD2 4.17Å; I150-L180 HydrophobicContact CD1-CD1 4.03Å; I150-L180 HydrophobicContact CG1-CD1 3.59Å; I150-L180 HydrophobicContact CG1-CD2 3.83Å; I150-L180 HydrophobicContact CG1-CG 4.41Å; I150-V231 HydrophobicContact CG2-CG1 4.1Å; I150-V231 HydrophobicContact CG2-CG2 3.68Å; I150-I234 HydrophobicContact CD1-CG2 4.18Å
151	L	98.9	Very high	97.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.4	-37.2	-178.3	-69.6	168.4	0	0	0	112.3	L147 Y148 L154 K155 V231 M310 V321 A324 L325 L330	L147-L151 HydrophobicContact CD1-CD1 4.18Å; L147-L151 HydrophobicContact CD1-CG 4.38Å; L147-L151 HydrophobicContact CG-CD1 3.97Å; L147-L151 WeakPolarHBondContact O-CG 3.44Å; L147-L151 PolarHBondContact O-N 3.39Å; Y148-L151 PolarHBondContact O-N 2.9Å; L151-L154 CarbonylContact O-C 3.59Å; L151-L154 PolarHBondContact O-N 2.9Å; L151-K155 WeakPolarHBondContact O-CB 3.38Å; L151-K155 PolarHBondContact O-N 3.06Å; L151-V231 HydrophobicContact CD2-CG1 4.06Å; L151-V231 HydrophobicContact CG-CG1 4.44Å; L151-M310 HydrophobicContact CD1-CE 3.84Å; L151-M310 HydrophobicContact CD2-CE 3.85Å; L151-M310 HydrophobicContact CG-CE 4.33Å; L151-V321 HydrophobicContact CB-CG2 4.38Å; L151-V321 HydrophobicContact CD2-CG2 4.11Å; L151-V321 VanDerWaalsContact O-CG2 3.3Å; L151-V321 WeakPolarHBondContact O-CG2 3.17Å; L151-A324 HydrophobicContact CD1-CB 3.91Å; L151-A324 HydrophobicContact CD2-CB 4Å; L151-L325 HydrophobicContact CB-CD2 3.67Å; L151-L325 HydrophobicContact CB-CG 3.86Å; L151-L330 HydrophobicContact CD1-CD1 3.49Å; L151-L330 VanDerWaalsContact CD1-CD1 3.49Å
152	R	98.7	Very high	97.8	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-48.3	174.2	-174.5	179	177.9	-108.7	10.1	110.8	E98 N99 Y148 L154 K155 Y156 D338 E339	E98-R152 IonicContact OE2-CZ 3.76Å; E98-R152 IonicContact OE2-NH1 2.65Å; E98-R152 PolarHBondContact OE2-NH1 2.99Å; E98-R152 IonicContact OE2-NH2 2.68Å; E98-R152 PolarHBondContact OE2-NH2 3.39Å; N99-R152 WeakPolarHBondContact OD1-CD 3.36Å; N99-R152 PolarHBondContact OD1-NH1 2.88Å; Y148-R152 WeakPolarHBondContact O-CB 3.36Å; Y148-R152 PolarHBondContact O-N 3.33Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 3.38Å; R152-K155 WeakPolarHBondContact O-CB 3.37Å; R152-K155 PolarHBondContact O-N 2.9Å; R152-Y156 PolarHBondContact O-N 2.93Å; R152-D338 PolarHBondContact NE-O 3.42Å; R152-D338 PolarHBondContact NH2-O 2.92Å; R152-D338 IonicContact NH2-OD1 3.62Å; R152-D338 PolarHBondContact NH2-OD1 3.37Å; R152-D338 IonicContact NH2-OD2 3.29Å; R152-E339 HydrophobicContact CG-CG 4.22Å
153	G	98.6	Very high	97.6	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-42.3	172.4	0	0	0	0	0	112.7	Q149 I150 K155 Y156 I157	Q149-G153 PolarHBondContact O-N 2.88Å; I150-G153 PolarHBondContact O-N 3.46Å; G153-K155 PolarHBondContact O-N 3.5Å; G153-Y156 PolarHBondContact O-N 3.08Å; G153-I157 VanDerWaalsContact O-CG1 3.31Å; G153-I157 WeakPolarHBondContact O-CG1 3.43Å; G153-I157 PolarHBondContact O-N 2.91Å; G153-I157 VanDerWaalsContact O-N 3.13Å
154	L	98.7	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.1	-34.9	179.7	-169.6	59.9	0	0	0	112.8	I150 L151 R152 Y156 I157 H158 L167 D227 I228 V231 V321	I150-L154 VanDerWaalsContact O-CB 3.28Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 PolarHBondContact O-N 3.01Å; L151-L154 CarbonylContact O-C 3.59Å; L151-L154 PolarHBondContact O-N 2.9Å; R152-L154 VanDerWaalsContact C-N 3.35Å; R152-L154 PolarHBondContact O-N 3.38Å; L154-Y156 VanDerWaalsContact C-N 3.32Å; L154-Y156 PolarHBondContact O-N 3.46Å; L154-I157 HydrophobicContact CD1-CB 4.42Å; L154-I157 HydrophobicContact CD1-CD1 4.38Å; L154-I157 PolarHBondContact O-N 3.43Å; L154-H158 WeakPolarHBondContact CD1-NE2 3.49Å; L154-H158 VanDerWaalsContact O-CB 3.31Å; L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 3Å; L154-L167 HydrophobicContact CD1-CD1 4.05Å; L154-L167 HydrophobicContact CD2-CD1 4.23Å; L154-D227 HydrophobicContact CD1-CB 3.92Å; L154-D227 HydrophobicContact CD2-CB 3.97Å; L154-I228 HydrophobicContact CD2-CD1 3.94Å; L154-V231 HydrophobicContact CD2-CG2 3.88Å; L154-V321 HydrophobicContact CB-CG2 4.09Å; L154-V321 HydrophobicContact CD2-CG2 4.44Å; L154-V321 HydrophobicContact CG-CG2 4.27Å
155	K	98.6	Very high	97.3	Very high	20 Å²	20	12 Å²	12	9%	0.087	6%	0.055	C	C	.	.	H	α-helix	trans	-57.1	-47.8	173.9	-178.8	-169.3	-175	-179.5	0	110.4	L151 R152 G153 I157 H158 S159 V321 L325 E339	L151-K155 WeakPolarHBondContact O-CB 3.38Å; L151-K155 PolarHBondContact O-N 3.06Å; R152-K155 WeakPolarHBondContact O-CB 3.37Å; R152-K155 PolarHBondContact O-N 2.9Å; G153-K155 PolarHBondContact O-N 3.5Å; K155-I157 PolarHBondContact O-N 2.93Å; K155-H158 PolarHBondContact O-N 3.15Å; K155-S159 VanDerWaalsContact O-CB 3.32Å; K155-S159 WeakPolarHBondContact O-CB 3.48Å; K155-S159 PolarHBondContact O-N 3.27Å; K155-V321 HydrophobicContact CB-CG1 4.23Å; K155-V321 HydrophobicContact CB-CG2 4.01Å; K155-V321 HydrophobicContact CG-CG1 4.49Å; K155-L325 HydrophobicContact CB-CD1 3.9Å; K155-L325 HydrophobicContact CD-CD1 3.7Å; K155-L325 HydrophobicContact CG-CD1 4.24Å; K155-E339 HydrophobicContact CD-CB 3.93Å; K155-E339 WeakPolarHBondContact CE-O 3.21Å; K155-E339 PolarHBondContact NZ-O 2.99Å; K155-E339 IonicContact NZ-OE2 2.89Å; K155-E339 PolarHBondContact NZ-OE2 3.43Å
156	Y	98.3	Very high	97.1	Very high	19 Å²	19	9.4 Å²	9.4	8%	0.075	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-43.2	176.7	-172.5	-84.2	0	0	0	112.4	F95 R96 H97 I100 R152 G153 L154 S159 A160 C342	F95-Y156 HydrophobicContact CB-CE1 4.06Å; F95-Y156 HydrophobicContact CD1-CD1 4.35Å; F95-Y156 AromaticContact CD1-CE1 3.65Å; F95-Y156 HydrophobicContact CD1-CE1 3.65Å; F95-Y156 HydrophobicContact CE1-CE1 4.15Å; F95-Y156 HydrophobicContact CG-CD1 4.41Å; F95-Y156 AromaticContact CG-CE1 3.87Å; F95-Y156 HydrophobicContact CG-CE1 3.87Å; R96-Y156 PolarHBondContact N-OH 2.78Å; R96-Y156 PolarHBondContact O-OH 3Å; H97-Y156 HydrophobicContact CB-CD1 4.04Å; H97-Y156 HydrophobicContact CB-CD2 4.2Å; H97-Y156 HydrophobicContact CB-CE1 4.29Å; H97-Y156 HydrophobicContact CB-CE2 4.44Å; H97-Y156 HydrophobicContact CB-CG 3.99Å; H97-Y156 AromaticContact CD2-CD2 3.59Å; H97-Y156 AromaticContact CD2-CG 3.68Å; H97-Y156 AromaticContact CG-CG 3.97Å; I100-Y156 HydrophobicContact CD1-CD1 3.61Å; I100-Y156 HydrophobicContact CD1-CE1 4.34Å; I100-Y156 HydrophobicContact CD1-CG 4.32Å; R152-Y156 PolarHBondContact O-N 2.93Å; G153-Y156 PolarHBondContact O-N 3.08Å; L154-Y156 VanDerWaalsContact C-N 3.32Å; L154-Y156 PolarHBondContact O-N 3.46Å; Y156-S159 PolarHBondContact O-OG 2.92Å; Y156-S159 VanDerWaalsContact O-OG 3.06Å; Y156-A160 PolarHBondContact O-N 2.88Å; Y156-C342 HydrophobicContact CD1-CB 4.3Å; Y156-C342 HydrophobicContact CD2-CB 4.44Å; Y156-C342 HydrophobicContact CE1-CB 3.93Å; Y156-C342 HydrophobicContact CE2-CB 4.09Å
157	I	98	Very high	97.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.3	-47.8	177	-63.7	165.9	0	0	0	110.6	F95 I100 G153 L154 K155 A160 V162 I182 F185	F95-I157 HydrophobicContact CE2-CB 4.43Å; F95-I157 HydrophobicContact CE2-CG1 3.9Å; F95-I157 HydrophobicContact CE2-CG2 4.41Å; I100-I157 HydrophobicContact CD1-CD1 4.1Å; I100-I157 HydrophobicContact CD1-CG1 3.55Å; I100-I157 HydrophobicContact CG1-CD1 4.37Å; I100-I157 HydrophobicContact CG1-CG1 4.35Å; G153-I157 VanDerWaalsContact O-CG1 3.31Å; G153-I157 WeakPolarHBondContact O-CG1 3.43Å; G153-I157 PolarHBondContact O-N 2.91Å; G153-I157 VanDerWaalsContact O-N 3.13Å; L154-I157 HydrophobicContact CD1-CB 4.42Å; L154-I157 HydrophobicContact CD1-CD1 4.38Å; L154-I157 PolarHBondContact O-N 3.43Å; K155-I157 PolarHBondContact O-N 2.93Å; I157-A160 WeakPolarHBondContact O-CB 3.24Å; I157-A160 PolarHBondContact O-N 2.88Å; I157-V162 HydrophobicContact CG2-CB 3.9Å; I157-V162 HydrophobicContact CG2-CG1 3.87Å; I157-V162 WeakPolarHBondContact CG2-O 3.39Å; I157-V162 PolarHBondContact O-N 3.02Å; I157-V162 VanDerWaalsContact O-N 3.12Å; I157-I182 HydrophobicContact CD1-CD1 3.88Å; I157-I182 HydrophobicContact CD1-CG2 4.3Å; I157-F185 HydrophobicContact CD1-CE1 3.73Å; I157-F185 HydrophobicContact CD1-CZ 3.64Å; I157-F185 HydrophobicContact CG1-CE1 3.99Å; I157-F185 HydrophobicContact CG1-CZ 4.14Å; I157-F185 HydrophobicContact CG2-CE1 4.33Å
158	H	97.5	Very high	97	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-70	-34	-178.1	-80.1	-168.2	0	0	0	112.6	L154 K155 A160 N161 V162 K224 D227 V321	L154-H158 WeakPolarHBondContact CD1-NE2 3.49Å; L154-H158 VanDerWaalsContact O-CB 3.31Å; L154-H158 WeakPolarHBondContact O-CB 3.41Å; L154-H158 PolarHBondContact O-N 3Å; K155-H158 PolarHBondContact O-N 3.15Å; H158-A160 PolarHBondContact O-N 2.96Å; H158-N161 PolarHBondContact O-N 3.45Å; H158-N161 VanDerWaalsContact O-N 3.1Å; H158-V162 PolarHBondContact CD2-O 3.39Å; H158-K224 HydrophobicContact CB-CD 3.93Å; H158-K224 HydrophobicContact CB-CG 4.42Å; H158-K224 PolarHBondContact CE1-O 3.31Å; H158-K224 WeakPolarHBondContact O-CE 3.49Å; H158-K224 PolarHBondContact O-NZ 3.22Å; H158-D227 IonicContact CD2-OD2 2.8Å; H158-D227 IonicContact CE1-OD2 2.87Å; H158-D227 IonicContact NE2-OD2 3.73Å; H158-D227 PolarHBondContact NE2-OD2 3.22Å; H158-V321 HydrophobicContact CB-CG1 4.26Å
159	S	96.7	Very high	97	Very high	29 Å²	29	10 Å²	10	20%	0.203	5%	0.049	C	C	.	.	H	α-helix	trans	-68.4	-28.1	174.4	82.5	0	0	0	0	111.4	K155 Y156 N161 V341 C342	K155-S159 VanDerWaalsContact O-CB 3.32Å; K155-S159 WeakPolarHBondContact O-CB 3.48Å; K155-S159 PolarHBondContact O-N 3.27Å; Y156-S159 PolarHBondContact O-OG 2.92Å; Y156-S159 VanDerWaalsContact O-OG 3.06Å; S159-N161 PolarHBondContact O-N 2.88Å; S159-V341 WeakPolarHBondContact OG-CA 3.46Å; S159-V341 WeakPolarHBondContact OG-CB 3.28Å; S159-C342 PolarHBondContact OG-N 3.25Å
160	A	95.6	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	5.7	171.6	0	0	0	0	0	113.8	F95 Y156 I157 H158 V162 C342 P345 F346	F95-A160 HydrophobicContact CE1-CB 3.48Å; F95-A160 VanDerWaalsContact CE1-CB 3.48Å; F95-A160 HydrophobicContact CZ-CB 3.78Å; Y156-A160 PolarHBondContact O-N 2.88Å; I157-A160 WeakPolarHBondContact O-CB 3.24Å; I157-A160 PolarHBondContact O-N 2.88Å; H158-A160 PolarHBondContact O-N 2.96Å; A160-V162 HydrophobicContact CB-CG2 4.26Å; A160-V162 PolarHBondContact O-N 3.17Å; A160-C342 HydrophobicContact CB-CB 3.51Å; A160-P345 WeakPolarHBondContact O-CA 3.47Å; A160-F346 HydrophobicContact CB-CD2 4.17Å; A160-F346 PolarHBondContact O-N 3.49Å
161	N	94.5	Very high	96.7	Very high	50 Å²	50	12.4 Å²	12.4	27%	0.267	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	30.8	-172.4	-158.7	47.2	0	0	0	113.6	H158 S159 V190 A191 P345	H158-N161 PolarHBondContact O-N 3.45Å; H158-N161 VanDerWaalsContact O-N 3.1Å; S159-N161 PolarHBondContact O-N 2.88Å; N161-V190 VanDerWaalsContact ND2-CG1 3.29Å; N161-V190 WeakPolarHBondContact ND2-CG1 3.34Å; N161-V190 CarbonylContact O-C 3.54Å; N161-V190 VanDerWaalsContact O-CA 3.3Å; N161-V190 WeakPolarHBondContact O-CA 3.2Å; N161-A191 PolarHBondContact ND2-O 3.23Å; N161-A191 PolarHBondContact O-N 3.12Å; N161-A191 WeakPolarHBondContact OD1-CB 3.42Å; N161-P345 HydrophobicContact CB-CB 4.12Å
162	V	94.3	Very high	96.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.8	176.8	176.1	0	0	0	0	109.8	I91 F95 I157 H158 A160 A188 R189 F346	I91-V162 HydrophobicContact CD1-CG1 4.04Å; F95-V162 HydrophobicContact CZ-CB 4.12Å; F95-V162 HydrophobicContact CZ-CG1 4.43Å; F95-V162 HydrophobicContact CZ-CG2 3.98Å; I157-V162 HydrophobicContact CG2-CB 3.9Å; I157-V162 HydrophobicContact CG2-CG1 3.87Å; I157-V162 WeakPolarHBondContact CG2-O 3.39Å; I157-V162 PolarHBondContact O-N 3.02Å; I157-V162 VanDerWaalsContact O-N 3.12Å; H158-V162 PolarHBondContact CD2-O 3.39Å; A160-V162 HydrophobicContact CB-CG2 4.26Å; A160-V162 PolarHBondContact O-N 3.17Å; V162-A188 HydrophobicContact CG1-CB 4.1Å; V162-R189 CarbonylContact C-O 3.54Å; V162-R189 WeakPolarHBondContact CA-O 3.23Å; V162-F346 HydrophobicContact CG2-CB 4.03Å; V162-F346 HydrophobicContact CG2-CD2 3.47Å; V162-F346 VanDerWaalsContact CG2-CD2 3.47Å; V162-F346 HydrophobicContact CG2-CE2 4.1Å; V162-F346 HydrophobicContact CG2-CG 3.82Å
163	L	94.9	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.3	171	-52.9	177.5	0	0	0	108.5	R165 A188 R189 A191 Y222 K224 I226 D227	L163-R165 HydrophobicContact CB-CG 3.72Å; L163-A188 CarbonylContact O-C 3.6Å; L163-A188 WeakPolarHBondContact O-CA 2.78Å; L163-A188 WeakPolarHBondContact O-CB 3.48Å; L163-R189 PolarHBondContact N-O 2.9Å; L163-R189 PolarHBondContact O-N 3.27Å; L163-R189 VanDerWaalsContact O-N 3.09Å; L163-A191 HydrophobicContact CD1-CB 4.05Å; L163-A191 HydrophobicContact CD2-CB 3.85Å; L163-A191 HydrophobicContact CG-CB 3.85Å; L163-Y222 VanDerWaalsContact CD1-CA 3.41Å; L163-K224 VanDerWaalsContact CD2-CA 3.47Å; L163-K224 HydrophobicContact CD2-CB 4.18Å; L163-K224 HydrophobicContact CD2-CG 3.7Å; L163-I226 HydrophobicContact CD1-CD1 4.27Å; L163-D227 WeakPolarHBondContact CA-OD2 3.37Å
164	H	95.3	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.			trans	-77.8	-42.9	179.5	-172.9	-78.7	0	0	0	112.1	D166 L167 C183 D184 F185 D227	H164-D166 PolarHBondContact ND1-N 3Å; H164-D166 PolarHBondContact O-N 3.42Å; H164-L167 HydrophobicContact CB-CD1 4.39Å; H164-L167 HydrophobicContact CB-CD2 4.17Å; H164-L167 HydrophobicContact CB-CG 3.89Å; H164-L167 PolarHBondContact ND1-N 2.76Å; H164-C183 PolarHBondContact NE2-O 2.77Å; H164-D184 PolarHBondContact CE1-O 3.27Å; H164-D184 PolarHBondContact NE2-O 2.67Å; H164-F185 AromaticContact CD2-CD1 3.99Å; H164-F185 AromaticContact CD2-CE1 3.74Å; H164-F185 AromaticContact CD2-CZ 3.87Å; H164-D227 PolarHBondContact N-OD1 3.08Å; H164-D227 PolarHBondContact N-OD2 3.37Å
165	R	93.6	Very high	96.4	Very high	30 Å²	30	15.3 Å²	15.3	11%	0.113	8%	0.081	C	C	.	.	S	Bend	trans	69.8	-9.5	171.3	-61.7	-177.2	72.3	-138.1	12.9	117.7	L163 L187 R189 Y204 K220 G221 I226 D227	L163-R165 HydrophobicContact CB-CG 3.72Å; R165-L187 WeakPolarHBondContact CD-O 3.48Å; R165-L187 PolarHBondContact NH1-O 3.17Å; R165-L187 VanDerWaalsContact NH1-O 3.15Å; R165-R189 VanDerWaalsContact NH1-CG 3.28Å; R165-Y204 WeakPolarHBondContact CB-OH 3.14Å; R165-Y204 PolarHBondContact NE-OH 2.82Å; R165-Y204 VanDerWaalsContact NH2-CE2 3.3Å; R165-Y204 PolarHBondContact O-OH 3.22Å; R165-K220 PolarHBondContact NH2-O 2.68Å; R165-G221 PolarHBondContact NE-O 2.89Å; R165-G221 VanDerWaalsContact NE-O 3.14Å; R165-I226 HydrophobicContact CG-CD1 3.86Å; R165-D227 PolarHBondContact N-OD1 2.92Å
166	D	94.3	Very high	96.1	Very high	11 Å²	11	19.8 Å²	19.8	6%	0.059	11%	0.111	C	C	.	.			trans	-142	45.1	172.9	-165.6	43.9	0	0	0	112.2	H164 K168 N171 L187 A206 T207	H164-D166 PolarHBondContact ND1-N 3Å; H164-D166 PolarHBondContact O-N 3.42Å; D166-K168 PolarHBondContact O-N 3.02Å; D166-K168 IonicContact OD1-NZ 3.72Å; D166-K168 PolarHBondContact OD1-NZ 3.44Å; D166-K168 IonicContact OD2-NZ 2.8Å; D166-K168 PolarHBondContact OD2-NZ 3.19Å; D166-N171 PolarHBondContact O-ND2 2.71Å; D166-L187 HydrophobicContact CB-CB 4.32Å; D166-L187 HydrophobicContact CB-CD1 3.63Å; D166-A206 HydrophobicContact CB-CB 4.47Å; D166-T207 PolarHBondContact OD1-N 2.88Å; D166-T207 VanDerWaalsContact OD1-N 3.1Å; D166-T207 PolarHBondContact OD1-OG1 3.21Å
167	L	97.8	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.			trans	-67.7	126.4	171.3	-73.7	174.9	0	0	0	109.9	L154 H164 L172 I182 Y210 D227 V231 I234	L154-L167 HydrophobicContact CD1-CD1 4.05Å; L154-L167 HydrophobicContact CD2-CD1 4.23Å; H164-L167 HydrophobicContact CB-CD1 4.39Å; H164-L167 HydrophobicContact CB-CD2 4.17Å; H164-L167 HydrophobicContact CB-CG 3.89Å; H164-L167 PolarHBondContact ND1-N 2.76Å; L167-L172 HydrophobicContact CD2-CD2 4.43Å; L167-I182 HydrophobicContact CD2-CG2 3.81Å; L167-Y210 WeakPolarHBondContact O-CB 3.39Å; L167-D227 HydrophobicContact CD1-CB 3.92Å; L167-V231 HydrophobicContact CD1-CG2 3.86Å; L167-I234 HydrophobicContact CB-CD1 4.19Å
168	K	96.9	Very high	95.8	Very high	30 Å²	30	24.7 Å²	24.7	13%	0.13	14%	0.144	C	C	.	.			trans	-162.6	161.2	179.4	63.1	-164.5	-175.7	-156.5	0	109.6	D166 S170 N171 T207 Y210	D166-K168 PolarHBondContact O-N 3.02Å; D166-K168 IonicContact OD1-NZ 3.72Å; D166-K168 PolarHBondContact OD1-NZ 3.44Å; D166-K168 IonicContact OD2-NZ 2.8Å; D166-K168 PolarHBondContact OD2-NZ 3.19Å; K168-S170 WeakPolarHBondContact CE-OG 3.28Å; K168-S170 PolarHBondContact O-N 3.06Å; K168-S170 VanDerWaalsContact O-N 3.08Å; K168-N171 WeakPolarHBondContact CE-ND2 3.44Å; K168-N171 WeakPolarHBondContact CE-OD1 3.32Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 PolarHBondContact O-N 2.92Å; K168-T207 HydrophobicContact CD-CG2 4.47Å; K168-T207 WeakPolarHBondContact CD-OG1 3.43Å; K168-T207 PolarHBondContact NZ-OG1 2.81Å; K168-Y210 HydrophobicContact CB-CD2 3.5Å; K168-Y210 HydrophobicContact CB-CE1 4.49Å; K168-Y210 HydrophobicContact CB-CE2 3.46Å; K168-Y210 VanDerWaalsContact CB-CE2 3.46Å; K168-Y210 HydrophobicContact CB-CG 4.07Å
169	P	97.3	Very high	95.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56.9	-29.7	-175.2	-27.7	36.9	0	0	0	115	L129 Y130 L133 N171 L172 Y210 I234	L129-P169 HydrophobicContact CB-CB 4.05Å; L129-P169 WeakPolarHBondContact CB-O 3.46Å; L129-P169 HydrophobicContact CD2-CB 4.15Å; L129-P169 HydrophobicContact CG-CB 4.1Å; L129-P169 PolarHBondContact N-O 2.82Å; Y130-P169 PolarHBondContact N-O 3.45Å; Y130-P169 VanDerWaalsContact N-O 3.15Å; L133-P169 HydrophobicContact CD1-CB 4.36Å; L133-P169 HydrophobicContact CD1-CG 4.39Å; P169-N171 PolarHBondContact O-N 3.34Å; P169-L172 PolarHBondContact O-N 3.1Å; P169-Y210 WeakPolarHBondContact CD-OH 3.15Å; P169-Y210 HydrophobicContact CG-CE1 4.22Å; P169-I234 HydrophobicContact CG-CG1 4.31Å
170	S	95.2	Very high	95.9	Very high	45 Å²	45	26.2 Å²	26.2	32%	0.315	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-73.4	-16.3	177.3	67.4	0	0	0	0	113.9	K168	K168-S170 WeakPolarHBondContact CE-OG 3.28Å; K168-S170 PolarHBondContact O-N 3.06Å; K168-S170 VanDerWaalsContact O-N 3.08Å
171	N	96.8	Very high	96	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.053	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-100.3	11.3	179.4	-69.2	4.8	0	0	0	111.7	D166 K168 P169 C183	D166-N171 PolarHBondContact O-ND2 2.71Å; K168-N171 WeakPolarHBondContact CE-ND2 3.44Å; K168-N171 WeakPolarHBondContact CE-OD1 3.32Å; K168-N171 HydrophobicContact CG-CB 4.15Å; K168-N171 PolarHBondContact O-N 2.92Å; P169-N171 PolarHBondContact O-N 3.34Å; N171-C183 PolarHBondContact O-N 2.77Å; N171-C183 PolarHBondContact O-SG 3.43Å
172	L	98.3	Very high	96.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	96.8	175.4	-58.3	178.8	0	0	0	107.9	D128 L129 I150 L167 P169 L180 I182 I234	D128-L172 CarbonylContact C-O 3.57Å; D128-L172 VanDerWaalsContact CA-O 3.29Å; D128-L172 WeakPolarHBondContact CA-O 3.37Å; L129-L172 HydrophobicContact CB-CB 4.04Å; L129-L172 HydrophobicContact CD2-CD1 3.69Å; L129-L172 PolarHBondContact N-O 2.92Å; I150-L172 HydrophobicContact CD1-CD1 3.52Å; I150-L172 HydrophobicContact CG1-CD1 3.86Å; I150-L172 HydrophobicContact CG1-CD2 4.17Å; L167-L172 HydrophobicContact CD2-CD2 4.43Å; P169-L172 PolarHBondContact O-N 3.1Å; L172-L180 HydrophobicContact CB-CD1 4.25Å; L172-L180 HydrophobicContact CB-CG 4.43Å; L172-L180 HydrophobicContact CD2-CD2 4.23Å; L172-I182 HydrophobicContact CD2-CG1 3.82Å; L172-I234 HydrophobicContact CD1-CD1 3.98Å; L172-I234 HydrophobicContact CD1-CG2 4Å
173	L	97.8	Very high	96.3	Very high	34 Å²	34	26.4 Å²	26.4	18%	0.178	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145	-178	-55.1	179.4	0	0	0	110.2	I101 M125 D128 L180 K181 C183	I101-L173 HydrophobicContact CD1-CD1 4.07Å; M125-L173 HydrophobicContact CB-CB 3.72Å; M125-L173 HydrophobicContact CB-CD1 4.3Å; M125-L173 HydrophobicContact CE-CB 4.19Å; M125-L173 HydrophobicContact CG-CB 3.65Å; M125-L173 HydrophobicContact CG-CD1 3.95Å; M125-L173 HydrophobicContact CG-CG 4.44Å; D128-L173 HydrophobicContact CB-CD2 4.12Å; L173-L180 CarbonylContact O-C 3.59Å; L173-L180 VanDerWaalsContact O-CA 3.28Å; L173-L180 WeakPolarHBondContact O-CA 3.32Å; L173-K181 PolarHBondContact N-O 3.13Å; L173-K181 PolarHBondContact O-N 3.47Å; L173-C183 HydrophobicContact CD1-CB 3.91Å; L173-C183 HydrophobicContact CG-CB 4.19Å
174	L	97.7	Very high	96.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.7	-175.8	-63.8	174.2	0	0	0	110.5	E126 T127 L129 L132 F146 D179 L180	E126-L174 PolarHBondContact N-O 2.93Å; E126-L174 VanDerWaalsContact N-O 3.16Å; T127-L174 HydrophobicContact CG2-CB 3.86Å; T127-L174 HydrophobicContact CG2-CD1 4.5Å; T127-L174 PolarHBondContact N-O 3.35Å; T127-L174 PolarHBondContact O-N 3.26Å; L129-L174 HydrophobicContact CB-CD1 4.18Å; L129-L174 HydrophobicContact CD1-CD1 4.06Å; L132-L174 HydrophobicContact CB-CD1 4.32Å; L132-L174 HydrophobicContact CD2-CD1 3.52Å; F146-L174 HydrophobicContact CD1-CD2 3.82Å; F146-L174 HydrophobicContact CE1-CD1 4.27Å; F146-L174 HydrophobicContact CE1-CD2 3.49Å; F146-L174 VanDerWaalsContact CE1-CD2 3.49Å; F146-L174 HydrophobicContact CZ-CD1 4.09Å; F146-L174 HydrophobicContact CZ-CD2 4.15Å; L174-D179 WeakPolarHBondContact CA-O 3.45Å; L174-L180 HydrophobicContact CD2-CB 3.71Å; L174-L180 HydrophobicContact CD2-CD1 3.9Å; L174-L180 HydrophobicContact CD2-CG 3.93Å
175	N	94.4	Very high	96.1	Very high	35 Å²	35	27.7 Å²	27.7	19%	0.187	16%	0.157	C	C	.	.			trans	-106.1	-178.8	170.3	73.2	6.1	0	0	0	112.9	M125 E126 T177 C178 D179	M125-N175 HydrophobicContact CE-CB 4.06Å; M125-N175 HydrophobicContact SD-CB 4.39Å; E126-N175 WeakPolarHBondContact OE2-CA 3.43Å; E126-N175 WeakPolarHBondContact OE2-CB 3.42Å; N175-T177 VanDerWaalsContact CG-OG1 3.28Å; N175-T177 PolarHBondContact ND2-OG1 3.23Å; N175-T177 VanDerWaalsContact ND2-OG1 3.13Å; N175-T177 PolarHBondContact O-N 3.12Å; N175-T177 PolarHBondContact OD1-N 2.69Å; N175-T177 PolarHBondContact OD1-OG1 3.48Å; N175-C178 PolarHBondContact O-N 3.35Å; N175-C178 VanDerWaalsContact O-N 3.16Å; N175-C178 PolarHBondContact OD1-N 2.95Å; N175-C178 VanDerWaalsContact OD1-N 3.1Å; N175-D179 PolarHBondContact N-O 3.34Å; N175-D179 WeakPolarHBondContact ND2-CB 3.48Å; N175-D179 PolarHBondContact ND2-OD2 2.69Å; N175-D179 WeakPolarHBondContact OD1-CB 3.42Å; N175-D179 PolarHBondContact OD1-N 2.99Å; N175-D179 PolarHBondContact OD1-OD2 3.41Å
176	T	92.1	Very high	95.8	Very high	115 Å²	115	26.3 Å²	26.3	71%	0.706	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	-179.4	56.6	0	0	0	0	114.2	E126 C178	E126-T176 HydrophobicContact CG-CG2 3.85Å; T176-C178 VanDerWaalsContact C-N 3.34Å
177	T	94.6	Very high	95.5	Very high	90 Å²	90	26.5 Å²	26.5	55%	0.552	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	8.1	177.8	42.9	0	0	0	0	112.8	N175 D179	N175-T177 VanDerWaalsContact CG-OG1 3.28Å; N175-T177 PolarHBondContact ND2-OG1 3.23Å; N175-T177 VanDerWaalsContact ND2-OG1 3.13Å; N175-T177 PolarHBondContact O-N 3.12Å; N175-T177 PolarHBondContact OD1-N 2.69Å; N175-T177 PolarHBondContact OD1-OG1 3.48Å; T177-D179 VanDerWaalsContact C-N 3.27Å; T177-D179 PolarHBondContact O-N 3.09Å; T177-D179 PolarHBondContact OG1-OD2 3.18Å
178	C	95.7	Very high	95.2	Very high	32 Å²	32	26.5 Å²	26.5	22%	0.216	15%	0.153	C	C	.	.			trans	66.4	20.8	-177.9	-61.7	0	0	0	0	114.7	Y145 F146 Q149 N175 T176	Y145-C178 HydrophobicContact CD1-CB 4.24Å; Y145-C178 HydrophobicContact CE1-CB 4.11Å; Y145-C178 WeakPolarHBondContact CE1-O 3.38Å; F146-C178 HydrophobicContact CE1-CB 3.69Å; F146-C178 HydrophobicContact CZ-CB 4.07Å; Q149-C178 PolarHBondContact NE2-O 2.91Å; N175-C178 PolarHBondContact O-N 3.35Å; N175-C178 VanDerWaalsContact O-N 3.16Å; N175-C178 PolarHBondContact OD1-N 2.95Å; N175-C178 VanDerWaalsContact OD1-N 3.1Å; T176-C178 VanDerWaalsContact C-N 3.34Å
179	D	97.7	Very high	94.9	Very high	63 Å²	63	26.4 Å²	26.4	34%	0.337	15%	0.152	S	C	.	.			trans	-71.5	131.4	167.9	-54	-60.4	0	0	0	109.5	M125 L174 N175 T177	M125-D179 WeakPolarHBondContact CE-O 3.44Å; L174-D179 WeakPolarHBondContact CA-O 3.45Å; N175-D179 PolarHBondContact N-O 3.34Å; N175-D179 WeakPolarHBondContact ND2-CB 3.48Å; N175-D179 PolarHBondContact ND2-OD2 2.69Å; N175-D179 WeakPolarHBondContact OD1-CB 3.42Å; N175-D179 PolarHBondContact OD1-N 2.99Å; N175-D179 PolarHBondContact OD1-OD2 3.41Å; T177-D179 VanDerWaalsContact C-N 3.27Å; T177-D179 PolarHBondContact O-N 3.09Å; T177-D179 PolarHBondContact OG1-OD2 3.18Å
180	L	98.6	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.3	-175.4	-178	153.5	0	0	0	111	N99 F146 Q149 I150 L172 L173 L174 I182	N99-L180 VanDerWaalsContact CA-O 3.23Å; N99-L180 WeakPolarHBondContact CA-O 3.43Å; N99-L180 WeakPolarHBondContact CB-O 3.21Å; N99-L180 PolarHBondContact ND2-O 2.92Å; F146-L180 HydrophobicContact CB-CD1 4.2Å; F146-L180 HydrophobicContact CD1-CD1 4.23Å; F146-L180 HydrophobicContact CG-CD1 4.5Å; Q149-L180 HydrophobicContact CB-CB 3.94Å; Q149-L180 HydrophobicContact CB-CD2 4.35Å; I150-L180 HydrophobicContact CD1-CD1 4.03Å; I150-L180 HydrophobicContact CG1-CD1 3.59Å; I150-L180 HydrophobicContact CG1-CD2 3.83Å; I150-L180 HydrophobicContact CG1-CG 4.41Å; L172-L180 HydrophobicContact CB-CD1 4.25Å; L172-L180 HydrophobicContact CB-CG 4.43Å; L172-L180 HydrophobicContact CD2-CD2 4.23Å; L173-L180 CarbonylContact O-C 3.59Å; L173-L180 VanDerWaalsContact O-CA 3.28Å; L173-L180 WeakPolarHBondContact O-CA 3.32Å; L174-L180 HydrophobicContact CD2-CB 3.71Å; L174-L180 HydrophobicContact CD2-CD1 3.9Å; L174-L180 HydrophobicContact CD2-CG 3.93Å; L180-I182 HydrophobicContact CD2-CG1 4.35Å
181	K	98.5	Very high	94	Very high	40 Å²	40	25.1 Å²	25.1	17%	0.174	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.9	173.5	-65.7	-175.4	-174.9	-70	0	111.9	E98 I101 M125 L173	E98-K181 WeakPolarHBondContact O-CG 3.41Å; E98-K181 PolarHBondContact O-NZ 2.89Å; I101-K181 HydrophobicContact CD1-CD 4.09Å; M125-K181 HydrophobicContact CE-CB 4.23Å; M125-K181 HydrophobicContact CE-CD 4.16Å; M125-K181 HydrophobicContact CE-CG 4Å; M125-K181 HydrophobicContact SD-CD 3.86Å; M125-K181 HydrophobicContact SD-CG 4.37Å; L173-K181 PolarHBondContact N-O 3.13Å; L173-K181 PolarHBondContact O-N 3.47Å
182	I	98.5	Very high	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.7	171	-59.2	170.1	0	0	0	109.2	N99 I101 I157 L167 L172 L180 F185	N99-I182 PolarHBondContact O-N 3.49Å; I101-I182 WeakPolarHBondContact CB-O 3.45Å; I101-I182 WeakPolarHBondContact CG2-O 3.42Å; I101-I182 PolarHBondContact N-O 3.14Å; I157-I182 HydrophobicContact CD1-CD1 3.88Å; I157-I182 HydrophobicContact CD1-CG2 4.3Å; L167-I182 HydrophobicContact CD2-CG2 3.81Å; L172-I182 HydrophobicContact CD2-CG1 3.82Å; L180-I182 HydrophobicContact CD2-CG1 4.35Å; I182-F185 HydrophobicContact CG2-CE2 4.18Å; I182-F185 HydrophobicContact CG2-CZ 4.06Å
183	C	95.9	Very high	92.3	Very high	16 Å²	16	28.9 Å²	28.9	11%	0.108	17%	0.167	C	C	.	.			trans	-135.2	173.1	178.3	74.4	0	0	0	0	112.8	I101 H164 N171 L173	I101-C183 HydrophobicContact CB-CB 4.04Å; I101-C183 HydrophobicContact CG2-CB 3.7Å; H164-C183 PolarHBondContact NE2-O 2.77Å; N171-C183 PolarHBondContact O-N 2.77Å; N171-C183 PolarHBondContact O-SG 3.43Å; L173-C183 HydrophobicContact CD1-CB 3.91Å; L173-C183 HydrophobicContact CG-CB 4.19Å
184	D	92.8	Very high	91.2	Very high	27 Å²	27	34 Å²	34	14%	0.144	20%	0.195	C	C	.	.			trans	66.6	73.1	179.6	-163.9	4.1	0	0	0	115	H164 G186	H164-D184 PolarHBondContact CE1-O 3.27Å; H164-D184 PolarHBondContact NE2-O 2.67Å; D184-G186 VanDerWaalsContact C-N 3.25Å; D184-G186 PolarHBondContact O-N 3.36Å; D184-G186 PolarHBondContact OD1-N 3.1Å
185	F	93.2	Very high	90	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-87.2	14.9	176.7	-72.1	-100.7	0	0	0	113.1	I91 L92 F95 I100 I157 H164 I182 L187 A188	I91-F185 HydrophobicContact CD1-CB 4.45Å; I91-F185 HydrophobicContact CG2-CB 4.41Å; I91-F185 HydrophobicContact CG2-CD1 3.73Å; I91-F185 HydrophobicContact CG2-CE1 4.23Å; I91-F185 HydrophobicContact CG2-CG 4.15Å; L92-F185 HydrophobicContact CD1-CD2 4.45Å; L92-F185 HydrophobicContact CD2-CD2 3.47Å; L92-F185 VanDerWaalsContact CD2-CD2 3.47Å; L92-F185 HydrophobicContact CD2-CE2 3.62Å; L92-F185 HydrophobicContact CD2-CG 4.16Å; L92-F185 HydrophobicContact CD2-CZ 4.39Å; L92-F185 HydrophobicContact CG-CD2 4.11Å; F95-F185 HydrophobicContact CD2-CE1 4.23Å; F95-F185 HydrophobicContact CD2-CZ 4.36Å; F95-F185 HydrophobicContact CE2-CD1 4.4Å; F95-F185 AromaticContact CE2-CE1 3.79Å; F95-F185 HydrophobicContact CE2-CE1 3.79Å; F95-F185 HydrophobicContact CE2-CZ 4.31Å; I100-F185 HydrophobicContact CG2-CE2 3.78Å; I100-F185 HydrophobicContact CG2-CZ 3.74Å; I157-F185 HydrophobicContact CD1-CE1 3.73Å; I157-F185 HydrophobicContact CD1-CZ 3.64Å; I157-F185 HydrophobicContact CG1-CE1 3.99Å; I157-F185 HydrophobicContact CG1-CZ 4.14Å; I157-F185 HydrophobicContact CG2-CE1 4.33Å; H164-F185 AromaticContact CD2-CD1 3.99Å; H164-F185 AromaticContact CD2-CE1 3.74Å; H164-F185 AromaticContact CD2-CZ 3.87Å; I182-F185 HydrophobicContact CG2-CE2 4.18Å; I182-F185 HydrophobicContact CG2-CZ 4.06Å; F185-L187 PolarHBondContact O-N 2.89Å; F185-A188 HydrophobicContact CB-CB 4.18Å; F185-A188 HydrophobicContact CD1-CB 4.16Å; F185-A188 VanDerWaalsContact O-CB 3.23Å; F185-A188 WeakPolarHBondContact O-CB 3.42Å; F185-A188 PolarHBondContact O-N 3.17Å; F185-A188 VanDerWaalsContact O-N 3.12Å
186	G	87.6	Confident	88.8	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-59.9	-34.9	-177.4	0	0	0	0	0	112.8	R84 R87 D184	R84-G186 WeakPolarHBondContact CG-O 3.5Å; R87-G186 PolarHBondContact NH1-O 3.15Å; D184-G186 VanDerWaalsContact C-N 3.25Å; D184-G186 PolarHBondContact O-N 3.36Å; D184-G186 PolarHBondContact OD1-N 3.1Å
187	L	89.1	Confident	87.2	Confident	15 Å²	15	37.5 Å²	37.5	8%	0.079	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-92.1	-2.8	-179.9	-69.6	174.6	0	0	0	114.5	R165 D166 F185 V205 A206	R165-L187 WeakPolarHBondContact CD-O 3.48Å; R165-L187 PolarHBondContact NH1-O 3.17Å; R165-L187 VanDerWaalsContact NH1-O 3.15Å; D166-L187 HydrophobicContact CB-CB 4.32Å; D166-L187 HydrophobicContact CB-CD1 3.63Å; F185-L187 PolarHBondContact O-N 2.89Å; L187-V205 WeakPolarHBondContact CD1-O 3.44Å; L187-V205 WeakPolarHBondContact CD2-O 3.48Å; L187-A206 HydrophobicContact CD1-CB 4.15Å
188	A	91.2	Very high	85.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.			trans	-56.6	160.4	-178.9	0	0	0	0	0	111.6	R87 I91 V162 L163 F185	R87-A188 WeakPolarHBondContact CD-O 3.36Å; R87-A188 PolarHBondContact NE-O 2.81Å; R87-A188 VanDerWaalsContact NE-O 3.17Å; I91-A188 HydrophobicContact CD1-CB 3.49Å; I91-A188 VanDerWaalsContact CD1-CB 3.49Å; V162-A188 HydrophobicContact CG1-CB 4.1Å; L163-A188 CarbonylContact O-C 3.6Å; L163-A188 WeakPolarHBondContact O-CA 2.78Å; L163-A188 WeakPolarHBondContact O-CB 3.48Å; F185-A188 HydrophobicContact CB-CB 4.18Å; F185-A188 HydrophobicContact CD1-CB 4.16Å; F185-A188 VanDerWaalsContact O-CB 3.23Å; F185-A188 WeakPolarHBondContact O-CB 3.42Å; F185-A188 PolarHBondContact O-N 3.17Å; F185-A188 VanDerWaalsContact O-N 3.12Å
189	R	89.5	Confident	83.2	Confident	27 Å²	27	34.9 Å²	34.9	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.6	172.7	-75.5	-64.2	-176	-70.7	7.2	109.7	R87 V162 L163 R165 Y222 E351 D353	R87-R189 VanDerWaalsContact NH2-NH1 3.19Å; V162-R189 CarbonylContact C-O 3.54Å; V162-R189 WeakPolarHBondContact CA-O 3.23Å; L163-R189 PolarHBondContact N-O 2.9Å; L163-R189 PolarHBondContact O-N 3.27Å; L163-R189 VanDerWaalsContact O-N 3.09Å; R165-R189 VanDerWaalsContact NH1-CG 3.28Å; R189-Y222 HydrophobicContact CG-CE1 4.23Å; R189-E351 WeakPolarHBondContact CA-OE1 3.33Å; R189-E351 VanDerWaalsContact CD-CD 3.49Å; R189-E351 WeakPolarHBondContact CD-OE1 3.39Å; R189-E351 VanDerWaalsContact CD-OE2 3.26Å; R189-E351 WeakPolarHBondContact CD-OE2 3.32Å; R189-E351 IonicContact NE-OE2 2.89Å; R189-D353 IonicContact CZ-OD1 3.42Å; R189-D353 IonicContact CZ-OD2 3.38Å; R189-D353 IonicContact NE-OD1 2.89Å; R189-D353 IonicContact NE-OD2 2.99Å; R189-D353 PolarHBondContact NE-OD2 3.46Å; R189-D353 IonicContact NH2-OD1 3.79Å; R189-D353 PolarHBondContact NH2-OD1 2.99Å; R189-D353 IonicContact NH2-OD2 3.66Å; R189-D353 PolarHBondContact NH2-OD2 3.05Å
190	V	88.3	Confident	80.8	Confident	9 Å²	9	34.1 Å²	34.1	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.5	163.2	-176.8	0	0	0	0	107.5	N161 D192 F346 E351	N161-V190 VanDerWaalsContact ND2-CG1 3.29Å; N161-V190 WeakPolarHBondContact ND2-CG1 3.34Å; N161-V190 CarbonylContact O-C 3.54Å; N161-V190 VanDerWaalsContact O-CA 3.3Å; N161-V190 WeakPolarHBondContact O-CA 3.2Å; V190-D192 PolarHBondContact O-N 3.43Å; V190-F346 HydrophobicContact CG2-CB 3.79Å; V190-E351 HydrophobicContact CB-CG 4.43Å; V190-E351 HydrophobicContact CG2-CG 4.05Å; V190-E351 PolarHBondContact N-OE1 2.89Å
191	A	85.1	Confident	78.6	Confident	10 Å²	10	37.7 Å²	37.7	8%	0.083	21%	0.205	C	C	.	.			trans	-66.9	131.1	176.7	0	0	0	0	0	109.5	N161 L163	N161-A191 PolarHBondContact ND2-O 3.23Å; N161-A191 PolarHBondContact O-N 3.12Å; N161-A191 WeakPolarHBondContact OD1-CB 3.42Å; L163-A191 HydrophobicContact CD1-CB 4.05Å; L163-A191 HydrophobicContact CD2-CB 3.85Å; L163-A191 HydrophobicContact CG-CB 3.85Å
192	D	82.7	Confident	76.6	Confident	15 Å²	15	39.1 Å²	39.1	8%	0.08	22%	0.217	C	C	.	.			trans	-141.1	77.6	-178.1	-177.3	3.9	0	0	0	109.1	V190 D194 H195 D196 Y222 F348	V190-D192 PolarHBondContact O-N 3.43Å; D192-D194 PolarHBondContact O-N 3.39Å; D192-H195 PolarHBondContact O-N 3.4Å; D192-H195 IonicContact OD1-CE1 3.88Å; D192-H195 IonicContact OD1-CG 2.76Å; D192-H195 PolarHBondContact OD1-N 2.95Å; D192-H195 IonicContact OD1-ND1 2.75Å; D192-H195 PolarHBondContact OD1-ND1 3.33Å; D192-H195 WeakPolarHBondContact OD2-CB 3.31Å; D192-H195 IonicContact OD2-CE1 3.97Å; D192-H195 IonicContact OD2-CG 3.3Å; D192-H195 IonicContact OD2-ND1 3.42Å; D192-H195 PolarHBondContact OD2-ND1 2.55Å; D192-D196 PolarHBondContact O-N 3.41Å; D192-Y222 HydrophobicContact CB-CD2 4.33Å; D192-Y222 PolarHBondContact N-O 3.38Å; D192-Y222 VanDerWaalsContact N-O 3.13Å; D192-Y222 VanDerWaalsContact O-CB 3.27Å; D192-Y222 WeakPolarHBondContact O-CB 3.39Å; D192-F348 HydrophobicContact CB-CD2 4.06Å; D192-F348 HydrophobicContact CB-CE2 4.1Å; D192-F348 VanDerWaalsContact OD2-CE2 3.25Å; D192-F348 WeakPolarHBondContact OD2-CE2 3.47Å
193	P	76.4	Confident	74.7	Confident	75 Å²	75	47 Å²	47	49%	0.487	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.8	-30.6	-177.6	-23.5	35	0	0	0	112.9	H195 D196 T223	P193-H195 VanDerWaalsContact C-N 3.27Å; P193-H195 PolarHBondContact O-N 3.3Å; P193-D196 PolarHBondContact O-N 3.26Å; P193-T223 HydrophobicContact CB-CG2 4.4Å
194	D	74.6	Confident	73	Confident	141 Å²	141	47.4 Å²	47.4	75%	0.754	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-68.1	-27.9	-176.6	-65.4	-28.4	0	0	0	112.1	D192	D192-D194 PolarHBondContact O-N 3.39Å
195	H	72.6	Confident	71.6	Confident	109 Å²	109	50 Å²	50	51%	0.505	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-108.9	13.8	178.6	-57.2	91.9	0	0	0	114.1	D192 P193 H197 K220	D192-H195 PolarHBondContact O-N 3.4Å; D192-H195 IonicContact OD1-CE1 3.88Å; D192-H195 IonicContact OD1-CG 2.76Å; D192-H195 PolarHBondContact OD1-N 2.95Å; D192-H195 IonicContact OD1-ND1 2.75Å; D192-H195 PolarHBondContact OD1-ND1 3.33Å; D192-H195 WeakPolarHBondContact OD2-CB 3.31Å; D192-H195 IonicContact OD2-CE1 3.97Å; D192-H195 IonicContact OD2-CG 3.3Å; D192-H195 IonicContact OD2-ND1 3.42Å; D192-H195 PolarHBondContact OD2-ND1 2.55Å; P193-H195 VanDerWaalsContact C-N 3.27Å; P193-H195 PolarHBondContact O-N 3.3Å; H195-H197 PolarHBondContact O-N 3.32Å; H195-H197 VanDerWaalsContact O-N 3.16Å; H195-K220 VanDerWaalsContact O-CD 3.27Å; H195-K220 WeakPolarHBondContact O-CD 3.37Å; H195-K220 WeakPolarHBondContact O-CE 3.4Å; H195-K220 PolarHBondContact O-NZ 3.49Å; H195-K220 VanDerWaalsContact O-NZ 3.09Å
196	D	70.7	Confident	70.1	Confident	15 Å²	15	51.2 Å²	51.2	8%	0.08	28%	0.28	C	S	.	.			trans	-64.2	-18.7	-177.1	-170.8	45.7	0	0	0	113.5	D192 P193 T198 S219 K220 G221 Y222 T223	D192-D196 PolarHBondContact O-N 3.41Å; P193-D196 PolarHBondContact O-N 3.26Å; D196-T198 PolarHBondContact O-N 3.05Å; D196-S219 CarbonylContact O-C 3.42Å; D196-S219 WeakPolarHBondContact O-CA 3.5Å; D196-S219 PolarHBondContact OD1-OG 2.82Å; D196-S219 WeakPolarHBondContact OD2-CB 3.47Å; D196-S219 PolarHBondContact OD2-OG 3.42Å; D196-K220 PolarHBondContact O-N 3.5Å; D196-K220 PolarHBondContact OD1-N 3.19Å; D196-G221 PolarHBondContact OD1-N 2.97Å; D196-Y222 WeakPolarHBondContact OD1-CA 3.04Å; D196-Y222 PolarHBondContact OD1-N 3.32Å; D196-T223 HydrophobicContact CB-CG2 4.3Å
197	H	58.6	Low	69.5	Low	103 Å²	103	53.2 Å²	53.2	48%	0.477	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-75.8	128.2	-174	-59.6	-45	0	0	0	113.6	H195 N218 K220 I273	H195-H197 PolarHBondContact O-N 3.32Å; H195-H197 VanDerWaalsContact O-N 3.16Å; H197-N218 WeakPolarHBondContact CA-O 3.33Å; H197-K220 WeakPolarHBondContact O-CE 3.39Å; H197-I273 WeakPolarHBondContact CE1-CD1 3.27Å; H197-I273 VanDerWaalsContact NE2-CD1 3.33Å; H197-I273 WeakPolarHBondContact NE2-CD1 3.25Å
198	T	64.1	Low	69.4	Low	26 Å²	26	55.6 Å²	55.6	16%	0.16	30%	0.3	C	S	.	.			trans	-118.8	169.4	171.3	48.3	0	0	0	0	113.6	D196 T202 N218 S219 K220	D196-T198 PolarHBondContact O-N 3.05Å; T198-T202 HydrophobicContact CG2-CG2 4.25Å; T198-N218 PolarHBondContact N-O 3.07Å; T198-N218 PolarHBondContact OG1-O 3.49Å; T198-S219 PolarHBondContact OG1-N 2.94Å; T198-S219 PolarHBondContact OG1-O 2.83Å; T198-K220 HydrophobicContact CG2-CB 4.01Å; T198-K220 HydrophobicContact CG2-CD 3.98Å; T198-K220 HydrophobicContact CG2-CG 2.99Å
199	G	41.1	Very low	69.6	Low	40 Å²	40	59.9 Å²	59.9	41%	0.412	32%	0.317	S	S	.	.			trans	-65.6	157.5	158.8	0	0	0	0	0	113	T202	G199-T202 PolarHBondContact O-OG1 2.9Å
200	F	48.1	Very low	69.9	Low	48 Å²	48	59.2 Å²	59.2	21%	0.211	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	135.1	174.9	-179.2	-125	0	0	0	110.9	T202 M216 L217 N274 K276 A277 Y280	F200-T202 VanDerWaalsContact C-N 3.34Å; F200-T202 PolarHBondContact O-N 3.49Å; F200-M216 WeakPolarHBondContact CD2-O 3.14Å; F200-M216 WeakPolarHBondContact CE2-O 3.36Å; F200-L217 HydrophobicContact CE2-CD2 4.25Å; F200-N274 PolarHBondContact N-ND2 3.21Å; F200-N274 VanDerWaalsContact N-ND2 3.12Å; F200-K276 HydrophobicContact CB-CB 4.42Å; F200-K276 HydrophobicContact CD1-CB 4.27Å; F200-A277 HydrophobicContact CB-CB 4.39Å; F200-A277 HydrophobicContact CD2-CB 3.36Å; F200-A277 HydrophobicContact CE2-CB 3.79Å; F200-A277 HydrophobicContact CG-CB 4.06Å; F200-Y280 HydrophobicContact CZ-CD1 4.13Å; F200-Y280 HydrophobicContact CZ-CG 4.02Å
201	L	52.5	Low	70.1	Confident	75 Å²	75	59.6 Å²	59.6	39%	0.393	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	31.8	179.7	-58.7	169.9	0	0	0	115.1	E203 L251	L201-E203 PolarHBondContact O-N 3.3Å; L201-L251 HydrophobicContact CD2-CD2 4.11Å
202	T	56.2	Low	70.5	Confident	69 Å²	69	59.1 Å²	59.1	42%	0.423	31%	0.311	S	S	.	.			trans	-60.5	138	168.8	-60.9	0	0	0	0	111.1	T198 G199 F200 Y204	T198-T202 HydrophobicContact CG2-CG2 4.25Å; G199-T202 PolarHBondContact O-OG1 2.9Å; F200-T202 VanDerWaalsContact C-N 3.34Å; F200-T202 PolarHBondContact O-N 3.49Å; T202-Y204 PolarHBondContact O-N 3.42Å
203	E	58.3	Low	71	Confident	166 Å²	166	58.4 Å²	58.4	78%	0.776	31%	0.307	S	S	*	.			trans	-68.5	101	-177.1	-168.1	174.6	-173	0	0	111.4	L201	L201-E203 PolarHBondContact O-N 3.3Å
204	Y	59.7	Low	71.6	Confident	24 Å²	24	55.2 Å²	55.2	9%	0.094	29%	0.286	C	S	.	.			trans	-85.2	132.9	170.7	-161.1	-95.1	0	0	0	112	R165 T202 A206 R211 I215 K220 Y250	R165-Y204 WeakPolarHBondContact CB-OH 3.14Å; R165-Y204 PolarHBondContact NE-OH 2.82Å; R165-Y204 VanDerWaalsContact NH2-CE2 3.3Å; R165-Y204 PolarHBondContact O-OH 3.22Å; T202-Y204 PolarHBondContact O-N 3.42Å; Y204-A206 HydrophobicContact CD1-CB 3.64Å; Y204-A206 HydrophobicContact CE1-CB 3.43Å; Y204-A206 VanDerWaalsContact CE1-CB 3.43Å; Y204-R211 HydrophobicContact CD1-CG 4.48Å; Y204-R211 PolarHBondContact O-NH1 2.78Å; Y204-R211 PolarHBondContact O-NH2 3.47Å; Y204-I215 HydrophobicContact CD1-CG2 4.14Å; Y204-I215 HydrophobicContact CD2-CD1 4.39Å; Y204-I215 HydrophobicContact CD2-CG2 3.71Å; Y204-I215 HydrophobicContact CE2-CD1 3.98Å; Y204-I215 HydrophobicContact CE2-CG2 4.24Å; Y204-I215 HydrophobicContact CG-CG2 3.64Å; Y204-K220 WeakPolarHBondContact CE2-O 3.44Å; Y204-Y250 PolarHBondContact N-OH 3.32Å; Y204-Y250 VanDerWaalsContact N-OH 3.09Å; Y204-Y250 PolarHBondContact O-OH 3.13Å
205	V	63.6	Low	72.1	Confident	82 Å²	82	48.8 Å²	48.8	50%	0.497	25%	0.251	S	S	.	.			trans	-102.6	90.6	-179.4	-169.5	0	0	0	0	110.3	L187	L187-V205 WeakPolarHBondContact CD1-O 3.44Å; L187-V205 WeakPolarHBondContact CD2-O 3.48Å
206	A	62	Low	72.5	Confident	25 Å²	25	43.8 Å²	43.8	21%	0.207	23%	0.228	C	C	.	.	S	Bend	trans	-164	-179.6	175.6	0	0	0	0	0	111.2	D166 L187 Y204 R211	D166-A206 HydrophobicContact CB-CB 4.47Å; L187-A206 HydrophobicContact CD1-CB 4.15Å; Y204-A206 HydrophobicContact CD1-CB 3.64Å; Y204-A206 HydrophobicContact CE1-CB 3.43Å; Y204-A206 VanDerWaalsContact CE1-CB 3.43Å; A206-R211 VanDerWaalsContact N-NH2 3.14Å; A206-R211 PolarHBondContact O-NH2 3.42Å
207	T	74	Confident	73	Confident	44 Å²	44	43.1 Å²	43.1	27%	0.27	23%	0.225	S	C	.	.			trans	-69.2	135	170.5	-45.7	0	0	0	0	109.9	D166 K168 Y210 R211	D166-T207 PolarHBondContact OD1-N 2.88Å; D166-T207 VanDerWaalsContact OD1-N 3.1Å; D166-T207 PolarHBondContact OD1-OG1 3.21Å; K168-T207 HydrophobicContact CD-CG2 4.47Å; K168-T207 WeakPolarHBondContact CD-OG1 3.43Å; K168-T207 PolarHBondContact NZ-OG1 2.81Å; T207-Y210 HydrophobicContact CG2-CD2 4.15Å; T207-Y210 HydrophobicContact CG2-CE2 4.14Å; T207-R211 WeakPolarHBondContact O-CG 3.28Å; T207-R211 PolarHBondContact O-NE 3.29Å
208	R	88.2	Confident	73.6	Confident	65 Å²	65	39 Å²	39	25%	0.245	21%	0.206	C	C	.	.	S	Bend	trans	-72.7	-35.1	-171.5	-167.6	177.5	-58.8	103.6	1.9	114.1	Y210 R211 G247 K248 H249 Q253	R208-Y210 PolarHBondContact O-N 3.37Å; R208-R211 WeakPolarHBondContact O-CB 3.5Å; R208-R211 WeakPolarHBondContact O-CG 3.23Å; R208-R211 PolarHBondContact O-N 3.04Å; R208-R211 VanDerWaalsContact O-N 3.15Å; R208-G247 PolarHBondContact NH1-O 3.49Å; R208-K248 PolarHBondContact NH1-O 3.47Å; R208-H249 VanDerWaalsContact CD-C 3.45Å; R208-H249 WeakPolarHBondContact CD-O 3.28Å; R208-Q253 HydrophobicContact CG-CB 3.87Å; R208-Q253 HydrophobicContact CG-CG 3.88Å; R208-Q253 VanDerWaalsContact O-CD 3.26Å; R208-Q253 PolarHBondContact O-NE2 3.06Å; R208-Q253 PolarHBondContact O-OE1 2.79Å
209	W	95.4	Very high	73.9	Confident	90 Å²	90	38 Å²	38	34%	0.341	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.8	-166.8	-57.9	-17.4	0	0	0	114.7	P243 F245 P246 G247 Q253	W209-P243 HydrophobicContact CD2-CB 4.43Å; W209-P243 HydrophobicContact CE3-CB 3.82Å; W209-P243 HydrophobicContact CE3-CG 3.76Å; W209-P243 HydrophobicContact CZ3-CB 4.19Å; W209-P243 HydrophobicContact CZ3-CG 3.64Å; W209-F245 WeakPolarHBondContact CA-O 3.47Å; W209-F245 WeakPolarHBondContact CB-O 3.31Å; W209-P246 HydrophobicContact CD2-CB 4.5Å; W209-P246 HydrophobicContact CZ2-CB 4.39Å; W209-G247 PolarHBondContact NE1-O 3.14Å; W209-Q253 PolarHBondContact O-NE2 3.07Å; W209-Q253 VanDerWaalsContact O-NE2 3.16Å
210	Y	96	Very high	75.3	Confident	13 Å²	13	39.5 Å²	39.5	5%	0.051	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.4	-178	-49.8	-83.9	0	0	0	112.6	L167 K168 P169 T207 R208 S230 C233 I234 E237	L167-Y210 WeakPolarHBondContact O-CB 3.39Å; K168-Y210 HydrophobicContact CB-CD2 3.5Å; K168-Y210 HydrophobicContact CB-CE1 4.49Å; K168-Y210 HydrophobicContact CB-CE2 3.46Å; K168-Y210 VanDerWaalsContact CB-CE2 3.46Å; K168-Y210 HydrophobicContact CB-CG 4.07Å; P169-Y210 WeakPolarHBondContact CD-OH 3.15Å; P169-Y210 HydrophobicContact CG-CE1 4.22Å; T207-Y210 HydrophobicContact CG2-CD2 4.15Å; T207-Y210 HydrophobicContact CG2-CE2 4.14Å; R208-Y210 PolarHBondContact O-N 3.37Å; Y210-S230 PolarHBondContact O-OG 2.77Å; Y210-C233 HydrophobicContact CD1-CB 3.66Å; Y210-C233 HydrophobicContact CE1-CB 4.36Å; Y210-I234 HydrophobicContact CD1-CG1 4.05Å; Y210-I234 HydrophobicContact CE1-CG1 4.1Å; Y210-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y210-E237 WeakPolarHBondContact CE1-OE2 3.21Å; Y210-E237 VanDerWaalsContact CZ-OE2 3.32Å; Y210-E237 PolarHBondContact OH-OE2 2.85Å
211	R	92.1	Very high	76.4	Confident	16 Å²	16	37.2 Å²	37.2	6%	0.06	19%	0.185	C	C	.	.			trans	-76.5	136.7	-179.4	-62.7	179.1	-170.3	-178	-4.6	111.2	Y204 A206 T207 R208 I215 M216 W229 Y250	Y204-R211 HydrophobicContact CD1-CG 4.48Å; Y204-R211 PolarHBondContact O-NH1 2.78Å; Y204-R211 PolarHBondContact O-NH2 3.47Å; A206-R211 VanDerWaalsContact N-NH2 3.14Å; A206-R211 PolarHBondContact O-NH2 3.42Å; T207-R211 WeakPolarHBondContact O-CG 3.28Å; T207-R211 PolarHBondContact O-NE 3.29Å; R208-R211 WeakPolarHBondContact O-CB 3.5Å; R208-R211 WeakPolarHBondContact O-CG 3.23Å; R208-R211 PolarHBondContact O-N 3.04Å; R208-R211 VanDerWaalsContact O-N 3.15Å; R211-I215 HydrophobicContact CB-CB 4.48Å; R211-M216 HydrophobicContact CB-SD 4.17Å; R211-W229 PolarHBondContact O-NE1 3.47Å; R211-W229 VanDerWaalsContact O-NE1 3.07Å; R211-Y250 PolarHBondContact NH1-OH 3.49Å
212	A	93.4	Very high	77.7	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	17%	0.174	C	C	.	.			trans	-67.6	150.3	174.8	0	0	0	0	0	112.1	E214 I215 M216 I226 W229	A212-E214 HydrophobicContact CB-CG 4.3Å; A212-E214 WeakPolarHBondContact CB-OE1 3.44Å; A212-E214 VanDerWaalsContact CB-OE2 3.29Å; A212-E214 WeakPolarHBondContact CB-OE2 3.47Å; A212-E214 PolarHBondContact O-N 2.95Å; A212-I215 HydrophobicContact CB-CG1 4.33Å; A212-I215 WeakPolarHBondContact O-CB 3.43Å; A212-I215 PolarHBondContact O-N 2.91Å; A212-I215 VanDerWaalsContact O-N 3.11Å; A212-M216 VanDerWaalsContact O-SD 3.35Å; A212-I226 HydrophobicContact CB-CB 4.48Å; A212-I226 HydrophobicContact CB-CG2 4.41Å; A212-W229 VanDerWaalsContact CA-CG 3.49Å; A212-W229 HydrophobicContact CB-CB 3.65Å; A212-W229 HydrophobicContact CB-CD2 4.05Å; A212-W229 HydrophobicContact CB-CG 3.55Å
213	P	92.3	Very high	79.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-56	-38.4	-176.7	20.7	-31.5	0	0	0	113	I215 M216 L217 W229 L254 I257 F313	P213-I215 PolarHBondContact O-N 3Å; P213-M216 PolarHBondContact O-N 3.43Å; P213-L217 WeakPolarHBondContact O-CG 3.29Å; P213-W229 HydrophobicContact CG-CE3 4.31Å; P213-W229 HydrophobicContact CG-CH2 3.98Å; P213-W229 HydrophobicContact CG-CZ2 4.45Å; P213-W229 HydrophobicContact CG-CZ3 3.9Å; P213-L254 HydrophobicContact CB-CD1 4.29Å; P213-I257 HydrophobicContact CB-CG2 4.42Å; P213-F313 HydrophobicContact CB-CD2 3.96Å; P213-F313 HydrophobicContact CB-CE2 3.77Å; P213-F313 HydrophobicContact CG-CD2 3.94Å; P213-F313 HydrophobicContact CG-CE2 4.22Å; P213-F313 HydrophobicContact CG-CG 4.49Å
214	E	89.3	Confident	81.1	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.037	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-61.8	-27.7	-180	63	-87.4	-159.2	0	0	113.9	A212 M216 L217 N218 S219 P315 R318	A212-E214 HydrophobicContact CB-CG 4.3Å; A212-E214 WeakPolarHBondContact CB-OE1 3.44Å; A212-E214 VanDerWaalsContact CB-OE2 3.29Å; A212-E214 WeakPolarHBondContact CB-OE2 3.47Å; A212-E214 PolarHBondContact O-N 2.95Å; E214-M216 PolarHBondContact O-N 2.89Å; E214-L217 PolarHBondContact O-N 3.2Å; E214-N218 PolarHBondContact O-N 3.21Å; E214-S219 WeakPolarHBondContact O-CB 3.33Å; E214-S219 PolarHBondContact O-N 3.1Å; E214-P315 HydrophobicContact CB-CG 4.44Å; E214-P315 HydrophobicContact CG-CG 4.32Å; E214-R318 IonicContact OE1-CZ 3.59Å; E214-R318 IonicContact OE1-NH1 3.18Å; E214-R318 PolarHBondContact OE1-NH1 3.35Å; E214-R318 IonicContact OE1-NH2 2.71Å; E214-R318 PolarHBondContact OE1-NH2 2.76Å; E214-R318 IonicContact OE2-CZ 2.88Å; E214-R318 IonicContact OE2-NH1 3.49Å; E214-R318 IonicContact OE2-NH2 3.97Å; E214-R318 PolarHBondContact OE2-NH2 2.95Å
215	I	86	Confident	82.8	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.031	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.1	-29.8	175.5	-60.2	-63.7	0	0	0	111	Y204 R211 A212 P213 I226	Y204-I215 HydrophobicContact CD1-CG2 4.14Å; Y204-I215 HydrophobicContact CD2-CD1 4.39Å; Y204-I215 HydrophobicContact CD2-CG2 3.71Å; Y204-I215 HydrophobicContact CE2-CD1 3.98Å; Y204-I215 HydrophobicContact CE2-CG2 4.24Å; Y204-I215 HydrophobicContact CG-CG2 3.64Å; R211-I215 HydrophobicContact CB-CB 4.48Å; A212-I215 HydrophobicContact CB-CG1 4.33Å; A212-I215 WeakPolarHBondContact O-CB 3.43Å; A212-I215 PolarHBondContact O-N 2.91Å; A212-I215 VanDerWaalsContact O-N 3.11Å; P213-I215 PolarHBondContact O-N 3Å; I215-I226 HydrophobicContact CD1-CG2 4.08Å
216	M	81.2	Confident	84.3	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.015	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-85.3	-13.5	177	-67.8	78.8	77.9	0	0	112.8	F200 R211 A212 P213 E214 Y250 Q253 L254 I257	F200-M216 WeakPolarHBondContact CD2-O 3.14Å; F200-M216 WeakPolarHBondContact CE2-O 3.36Å; R211-M216 HydrophobicContact CB-SD 4.17Å; A212-M216 VanDerWaalsContact O-SD 3.35Å; P213-M216 PolarHBondContact O-N 3.43Å; E214-M216 PolarHBondContact O-N 2.89Å; M216-Y250 HydrophobicContact CG-CD1 4.2Å; M216-Q253 HydrophobicContact CE-CB 4.44Å; M216-Q253 HydrophobicContact CE-CG 3.84Å; M216-Q253 HydrophobicContact SD-CG 4.44Å; M216-L254 HydrophobicContact CE-CB 4.35Å; M216-I257 HydrophobicContact CE-CD1 3.62Å
217	L	79.9	Confident	86	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-56	-168	-60.9	169.3	0	0	0	112.5	F200 P213 E214 L254 I272 A277 I281 F313	F200-L217 HydrophobicContact CE2-CD2 4.25Å; P213-L217 WeakPolarHBondContact O-CG 3.29Å; E214-L217 PolarHBondContact O-N 3.2Å; L217-L254 HydrophobicContact CD2-CD2 3.83Å; L217-I272 HydrophobicContact CB-CG2 4.46Å; L217-I272 HydrophobicContact CD1-CD1 4.01Å; L217-A277 HydrophobicContact CB-CB 4.03Å; L217-A277 HydrophobicContact CD2-CB 4.03Å; L217-A277 WeakPolarHBondContact O-CB 3.32Å; L217-I281 HydrophobicContact CD1-CD1 3.66Å; L217-I281 HydrophobicContact CD2-CD1 3.6Å; L217-I281 HydrophobicContact CD2-CG1 3.9Å; L217-I281 HydrophobicContact CG-CD1 4.29Å; L217-F313 HydrophobicContact CD1-CE2 4.33Å; L217-F313 HydrophobicContact CD1-CZ 3.76Å
218	N	73	Confident	87.1	Confident	16 Å²	16	22.3 Å²	22.3	9%	0.086	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-162.7	8.1	-169	66.5	-22.9	0	0	0	115.4	H197 T198 E214 I273 N274	H197-N218 WeakPolarHBondContact CA-O 3.33Å; T198-N218 PolarHBondContact N-O 3.07Å; T198-N218 PolarHBondContact OG1-O 3.49Å; E214-N218 PolarHBondContact O-N 3.21Å; N218-I273 PolarHBondContact ND2-N 3.46Å; N218-N274 HydrophobicContact CB-CB 3.78Å
219	S	70.3	Confident	87.6	Confident	4 Å²	4	19.2 Å²	19.2	3%	0.028	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-112	141.2	-174.5	179.2	0	0	0	0	112.4	D196 T198 E214 G221	D196-S219 CarbonylContact O-C 3.42Å; D196-S219 WeakPolarHBondContact O-CA 3.5Å; D196-S219 PolarHBondContact OD1-OG 2.82Å; D196-S219 WeakPolarHBondContact OD2-CB 3.47Å; D196-S219 PolarHBondContact OD2-OG 3.42Å; T198-S219 PolarHBondContact OG1-N 2.94Å; T198-S219 PolarHBondContact OG1-O 2.83Å; E214-S219 WeakPolarHBondContact O-CB 3.33Å; E214-S219 PolarHBondContact O-N 3.1Å; S219-G221 PolarHBondContact OG-N 3.36Å
220	K	69.4	Low	87.8	Confident	72 Å²	72	15.3 Å²	15.3	31%	0.313	7%	0.073	S	C	.	.			trans	-77.1	-11.9	165.7	-74.7	-171.6	-166.4	153.1	0	111.4	R165 H195 D196 H197 T198 Y204 Y222	R165-K220 PolarHBondContact NH2-O 2.68Å; H195-K220 VanDerWaalsContact O-CD 3.27Å; H195-K220 WeakPolarHBondContact O-CD 3.37Å; H195-K220 WeakPolarHBondContact O-CE 3.4Å; H195-K220 PolarHBondContact O-NZ 3.49Å; H195-K220 VanDerWaalsContact O-NZ 3.09Å; D196-K220 PolarHBondContact O-N 3.5Å; D196-K220 PolarHBondContact OD1-N 3.19Å; H197-K220 WeakPolarHBondContact O-CE 3.39Å; T198-K220 HydrophobicContact CG2-CB 4.01Å; T198-K220 HydrophobicContact CG2-CD 3.98Å; T198-K220 HydrophobicContact CG2-CG 2.99Å; Y204-K220 WeakPolarHBondContact CE2-O 3.44Å; K220-Y222 HydrophobicContact CB-CD1 3.86Å; K220-Y222 HydrophobicContact CB-CD2 3.68Å; K220-Y222 HydrophobicContact CB-CE1 3.84Å; K220-Y222 HydrophobicContact CB-CE2 3.72Å; K220-Y222 HydrophobicContact CB-CG 3.75Å; K220-Y222 HydrophobicContact CD-CD2 3.85Å; K220-Y222 HydrophobicContact CD-CE2 3.28Å; K220-Y222 HydrophobicContact CG-CD2 4.3Å; K220-Y222 HydrophobicContact CG-CE2 4.03Å
221	G	71.6	Confident	87.9	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	69.1	51.3	-171	0	0	0	0	0	111.2	R165 D196 S219 I226	R165-G221 PolarHBondContact NE-O 2.89Å; R165-G221 VanDerWaalsContact NE-O 3.14Å; D196-G221 PolarHBondContact OD1-N 2.97Å; S219-G221 PolarHBondContact OG-N 3.36Å; G221-I226 WeakPolarHBondContact O-CD1 3.26Å
222	Y	80	Confident	88.2	Confident	39 Å²	39	14 Å²	14	15%	0.153	7%	0.068	C	C	.	.			trans	-108.1	15.9	176.7	-63.9	-13.3	0	0	0	112.6	L163 R189 D192 D196 K220	L163-Y222 VanDerWaalsContact CD1-CA 3.41Å; R189-Y222 HydrophobicContact CG-CE1 4.23Å; D192-Y222 HydrophobicContact CB-CD2 4.33Å; D192-Y222 PolarHBondContact N-O 3.38Å; D192-Y222 VanDerWaalsContact N-O 3.13Å; D192-Y222 VanDerWaalsContact O-CB 3.27Å; D192-Y222 WeakPolarHBondContact O-CB 3.39Å; D196-Y222 WeakPolarHBondContact OD1-CA 3.04Å; D196-Y222 PolarHBondContact OD1-N 3.32Å; K220-Y222 HydrophobicContact CB-CD1 3.86Å; K220-Y222 HydrophobicContact CB-CD2 3.68Å; K220-Y222 HydrophobicContact CB-CE1 3.84Å; K220-Y222 HydrophobicContact CB-CE2 3.72Å; K220-Y222 HydrophobicContact CB-CG 3.75Å; K220-Y222 HydrophobicContact CD-CD2 3.85Å; K220-Y222 HydrophobicContact CD-CE2 3.28Å; K220-Y222 HydrophobicContact CG-CD2 4.3Å; K220-Y222 HydrophobicContact CG-CE2 4.03Å
223	T	90	Very high	88.4	Confident	32 Å²	32	14 Å²	14	20%	0.196	7%	0.068	C	C	.	.	S	Bend	trans	-115.5	151.9	170.8	64.6	0	0	0	0	111.6	P193 D196 S225 I226	P193-T223 HydrophobicContact CB-CG2 4.4Å; D196-T223 HydrophobicContact CB-CG2 4.3Å; T223-S225 PolarHBondContact O-N 2.99Å; T223-S225 PolarHBondContact OG1-OG 3.38Å; T223-I226 WeakPolarHBondContact O-CD1 3.21Å; T223-I226 VanDerWaalsContact O-CG1 3.31Å; T223-I226 WeakPolarHBondContact O-CG1 3.33Å; T223-I226 PolarHBondContact O-N 2.98Å
224	K	95.1	Very high	88.7	Confident	79 Å²	79	14 Å²	14	34%	0.343	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.6	-179.3	-68.5	178.2	-174	-173.9	0	113.7	H158 L163 I226 D227	H158-K224 HydrophobicContact CB-CD 3.93Å; H158-K224 HydrophobicContact CB-CG 4.42Å; H158-K224 PolarHBondContact CE1-O 3.31Å; H158-K224 WeakPolarHBondContact O-CE 3.49Å; H158-K224 PolarHBondContact O-NZ 3.22Å; L163-K224 VanDerWaalsContact CD2-CA 3.47Å; L163-K224 HydrophobicContact CD2-CB 4.18Å; L163-K224 HydrophobicContact CD2-CG 3.7Å; K224-I226 PolarHBondContact O-N 3.04Å; K224-D227 PolarHBondContact O-N 3.46Å
225	S	95.8	Very high	89.2	Confident	17 Å²	17	13.6 Å²	13.6	12%	0.119	7%	0.066	C	C	.	.	H	α-helix	trans	-63.8	-24.2	-175.5	63.9	0	0	0	0	113.5	T223 D227 I228 W229 P315 R318	T223-S225 PolarHBondContact O-N 2.99Å; T223-S225 PolarHBondContact OG1-OG 3.38Å; S225-D227 VanDerWaalsContact C-N 3.34Å; S225-I228 PolarHBondContact O-N 3.49Å; S225-W229 PolarHBondContact O-N 3.35Å; S225-P315 WeakPolarHBondContact OG-CB 3.18Å; S225-R318 VanDerWaalsContact C-NH1 3.28Å; S225-R318 VanDerWaalsContact O-CD 3.32Å; S225-R318 WeakPolarHBondContact O-CD 3.41Å; S225-R318 PolarHBondContact O-NH1 3.37Å
226	I	94.7	Very high	89.7	Confident	4 Å²	4	13.3 Å²	13.3	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-34.5	179.7	71.8	-166.4	0	0	0	112.3	L163 R165 A212 I215 G221 T223 K224 W229 S230	L163-I226 HydrophobicContact CD1-CD1 4.27Å; R165-I226 HydrophobicContact CG-CD1 3.86Å; A212-I226 HydrophobicContact CB-CB 4.48Å; A212-I226 HydrophobicContact CB-CG2 4.41Å; I215-I226 HydrophobicContact CD1-CG2 4.08Å; G221-I226 WeakPolarHBondContact O-CD1 3.26Å; T223-I226 WeakPolarHBondContact O-CD1 3.21Å; T223-I226 VanDerWaalsContact O-CG1 3.31Å; T223-I226 WeakPolarHBondContact O-CG1 3.33Å; T223-I226 PolarHBondContact O-N 2.98Å; K224-I226 PolarHBondContact O-N 3.04Å; I226-W229 PolarHBondContact O-N 3.43Å; I226-S230 PolarHBondContact O-N 3.35Å; I226-S230 VanDerWaalsContact O-N 3.11Å; I226-S230 PolarHBondContact O-OG 2.92Å
227	D	97.6	Very high	90.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-71.5	-39.2	176.8	-72	-30.2	0	0	0	109	L154 H158 L163 H164 R165 L167 K224 S225 W229 S230 V231	L154-D227 HydrophobicContact CD1-CB 3.92Å; L154-D227 HydrophobicContact CD2-CB 3.97Å; H158-D227 IonicContact CD2-OD2 2.8Å; H158-D227 IonicContact CE1-OD2 2.87Å; H158-D227 IonicContact NE2-OD2 3.73Å; H158-D227 PolarHBondContact NE2-OD2 3.22Å; L163-D227 WeakPolarHBondContact CA-OD2 3.37Å; H164-D227 PolarHBondContact N-OD1 3.08Å; H164-D227 PolarHBondContact N-OD2 3.37Å; R165-D227 PolarHBondContact N-OD1 2.92Å; L167-D227 HydrophobicContact CD1-CB 3.92Å; K224-D227 PolarHBondContact O-N 3.46Å; S225-D227 VanDerWaalsContact C-N 3.34Å; D227-W229 VanDerWaalsContact C-N 3.32Å; D227-W229 PolarHBondContact O-N 3.2Å; D227-S230 WeakPolarHBondContact O-CA 3.43Å; D227-S230 VanDerWaalsContact O-CB 3.31Å; D227-S230 WeakPolarHBondContact O-CB 3.45Å; D227-S230 PolarHBondContact O-N 3.21Å; D227-S230 VanDerWaalsContact O-N 3.09Å; D227-V231 WeakPolarHBondContact O-CG2 3.49Å; D227-V231 PolarHBondContact O-N 2.93Å
228	I	98.6	Very high	91.3	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-60.1	-42.3	174.4	-58.8	-62.9	0	0	0	111.6	L154 S225 S230 V231 G232 M310 R318 I319 V321	L154-I228 HydrophobicContact CD2-CD1 3.94Å; S225-I228 PolarHBondContact O-N 3.49Å; I228-S230 VanDerWaalsContact C-N 3.29Å; I228-S230 PolarHBondContact O-N 2.94Å; I228-V231 PolarHBondContact O-N 2.98Å; I228-G232 PolarHBondContact O-N 2.97Å; I228-M310 HydrophobicContact CG2-CB 4.09Å; I228-M310 HydrophobicContact CG2-CG 3.91Å; I228-R318 HydrophobicContact CB-CG 4.48Å; I228-R318 HydrophobicContact CG2-CG 3.99Å; I228-I319 HydrophobicContact CG2-CG2 3.92Å; I228-I319 WeakPolarHBondContact CG2-O 3.06Å; I228-V321 HydrophobicContact CD1-CB 3.95Å
229	W	98.2	Very high	92.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.3	179.1	-81.7	0	0	0	111.7	R211 A212 P213 S225 I226 D227 V231 G232 C233 F245 I257 V261 L311	R211-W229 PolarHBondContact O-NE1 3.47Å; R211-W229 VanDerWaalsContact O-NE1 3.07Å; A212-W229 VanDerWaalsContact CA-CG 3.49Å; A212-W229 HydrophobicContact CB-CB 3.65Å; A212-W229 HydrophobicContact CB-CD2 4.05Å; A212-W229 HydrophobicContact CB-CG 3.55Å; P213-W229 HydrophobicContact CG-CE3 4.31Å; P213-W229 HydrophobicContact CG-CH2 3.98Å; P213-W229 HydrophobicContact CG-CZ2 4.45Å; P213-W229 HydrophobicContact CG-CZ3 3.9Å; S225-W229 PolarHBondContact O-N 3.35Å; I226-W229 PolarHBondContact O-N 3.43Å; D227-W229 VanDerWaalsContact C-N 3.32Å; D227-W229 PolarHBondContact O-N 3.2Å; W229-V231 VanDerWaalsContact C-N 3.3Å; W229-V231 PolarHBondContact O-N 3.25Å; W229-G232 PolarHBondContact O-N 3.15Å; W229-C233 PolarHBondContact NE1-SG 3.39Å; W229-C233 PolarHBondContact O-N 3.16Å; W229-C233 PolarHBondContact O-SG 2.92Å; W229-C233 VanDerWaalsContact O-SG 3.35Å; W229-F245 HydrophobicContact CZ2-CD2 4.36Å; W229-F245 AromaticContact CZ2-CE2 3.83Å; W229-F245 HydrophobicContact CZ2-CE2 3.83Å; W229-F245 HydrophobicContact CZ2-CZ 4.49Å; W229-I257 HydrophobicContact CH2-CG2 3.54Å; W229-I257 HydrophobicContact CZ2-CB 4.46Å; W229-I257 HydrophobicContact CZ2-CD1 3.78Å; W229-I257 HydrophobicContact CZ2-CG1 3.89Å; W229-I257 HydrophobicContact CZ2-CG2 3.73Å; W229-V261 HydrophobicContact CH2-CG2 4.18Å; W229-L311 HydrophobicContact CD2-CD2 3.86Å; W229-L311 HydrophobicContact CE3-CD2 3.99Å; W229-L311 HydrophobicContact CG-CD2 4.38Å; W229-L311 HydrophobicContact CH2-CD2 4.25Å; W229-L311 HydrophobicContact CZ2-CD2 4.11Å; W229-L311 HydrophobicContact CZ3-CB 4.28Å; W229-L311 HydrophobicContact CZ3-CD2 4.2Å
230	S	98.2	Very high	93.5	Very high	8 Å²	8	15.7 Å²	15.7	6%	0.056	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-42.7	177.2	-54.6	0	0	0	0	110.9	Y210 I226 D227 I228 C233 I234	Y210-S230 PolarHBondContact O-OG 2.77Å; I226-S230 PolarHBondContact O-N 3.35Å; I226-S230 VanDerWaalsContact O-N 3.11Å; I226-S230 PolarHBondContact O-OG 2.92Å; D227-S230 WeakPolarHBondContact O-CA 3.43Å; D227-S230 VanDerWaalsContact O-CB 3.31Å; D227-S230 WeakPolarHBondContact O-CB 3.45Å; D227-S230 PolarHBondContact O-N 3.21Å; D227-S230 VanDerWaalsContact O-N 3.09Å; I228-S230 VanDerWaalsContact C-N 3.29Å; I228-S230 PolarHBondContact O-N 2.94Å; S230-C233 WeakPolarHBondContact O-CB 3.31Å; S230-C233 PolarHBondContact O-N 3.07Å; S230-I234 VanDerWaalsContact O-CG1 3.27Å; S230-I234 WeakPolarHBondContact O-CG1 3.44Å; S230-I234 PolarHBondContact O-N 3.14Å
231	V	98.8	Very high	94.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-41.8	174.2	177.5	0	0	0	0	111.7	L147 I150 L151 L154 L167 D227 I228 W229 C233 I234 L235 M310	L147-V231 HydrophobicContact CD1-CG1 3.59Å; I150-V231 HydrophobicContact CG2-CG1 4.1Å; I150-V231 HydrophobicContact CG2-CG2 3.68Å; L151-V231 HydrophobicContact CD2-CG1 4.06Å; L151-V231 HydrophobicContact CG-CG1 4.44Å; L154-V231 HydrophobicContact CD2-CG2 3.88Å; L167-V231 HydrophobicContact CD1-CG2 3.86Å; D227-V231 WeakPolarHBondContact O-CG2 3.49Å; D227-V231 PolarHBondContact O-N 2.93Å; I228-V231 PolarHBondContact O-N 2.98Å; W229-V231 VanDerWaalsContact C-N 3.3Å; W229-V231 PolarHBondContact O-N 3.25Å; V231-C233 VanDerWaalsContact C-N 3.32Å; V231-C233 PolarHBondContact O-N 3.04Å; V231-I234 WeakPolarHBondContact O-CB 3.48Å; V231-I234 PolarHBondContact O-N 2.82Å; V231-I234 VanDerWaalsContact O-N 3.14Å; V231-L235 PolarHBondContact O-N 2.86Å; V231-M310 HydrophobicContact CG1-CE 4.02Å; V231-M310 HydrophobicContact CG1-SD 3.98Å
232	G	98.6	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-41.4	173.7	0	0	0	0	0	112.5	I228 W229 I234 L235 G236 L307	I228-G232 PolarHBondContact O-N 2.97Å; W229-G232 PolarHBondContact O-N 3.15Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 3.41Å; G232-L235 PolarHBondContact O-N 3.09Å; G232-G236 PolarHBondContact O-N 3.28Å; G232-L307 WeakPolarHBondContact O-CD1 3.27Å
233	C	98.5	Very high	96.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-39.8	174.2	-67.1	0	0	0	0	112	Y210 W229 S230 V231 G236 E237	Y210-C233 HydrophobicContact CD1-CB 3.66Å; Y210-C233 HydrophobicContact CE1-CB 4.36Å; W229-C233 PolarHBondContact NE1-SG 3.39Å; W229-C233 PolarHBondContact O-N 3.16Å; W229-C233 PolarHBondContact O-SG 2.92Å; W229-C233 VanDerWaalsContact O-SG 3.35Å; S230-C233 WeakPolarHBondContact O-CB 3.31Å; S230-C233 PolarHBondContact O-N 3.07Å; V231-C233 VanDerWaalsContact C-N 3.32Å; V231-C233 PolarHBondContact O-N 3.04Å; C233-G236 PolarHBondContact O-N 3.35Å; C233-E237 WeakPolarHBondContact O-CB 3.37Å; C233-E237 PolarHBondContact O-N 3.42Å
234	I	98.5	Very high	96.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-45.6	175.6	-67	162.2	0	0	0	110.3	L129 I150 L167 P169 L172 Y210 S230 V231 G232 G236 E237 M238	L129-I234 HydrophobicContact CD2-CG2 3.75Å; I150-I234 HydrophobicContact CD1-CG2 4.18Å; L167-I234 HydrophobicContact CB-CD1 4.19Å; P169-I234 HydrophobicContact CG-CG1 4.31Å; L172-I234 HydrophobicContact CD1-CD1 3.98Å; L172-I234 HydrophobicContact CD1-CG2 4Å; Y210-I234 HydrophobicContact CD1-CG1 4.05Å; Y210-I234 HydrophobicContact CE1-CG1 4.1Å; S230-I234 VanDerWaalsContact O-CG1 3.27Å; S230-I234 WeakPolarHBondContact O-CG1 3.44Å; S230-I234 PolarHBondContact O-N 3.14Å; V231-I234 WeakPolarHBondContact O-CB 3.48Å; V231-I234 PolarHBondContact O-N 2.82Å; V231-I234 VanDerWaalsContact O-N 3.14Å; G232-I234 VanDerWaalsContact C-N 3.34Å; G232-I234 PolarHBondContact O-N 3.41Å; I234-G236 VanDerWaalsContact C-N 3.34Å; I234-G236 PolarHBondContact O-N 2.93Å; I234-E237 CarbonylContact O-C 3.55Å; I234-E237 PolarHBondContact O-N 3.25Å; I234-E237 VanDerWaalsContact O-N 3.12Å; I234-M238 HydrophobicContact CG2-CE 4.39Å; I234-M238 HydrophobicContact CG2-CG 4.26Å; I234-M238 HydrophobicContact CG2-SD 4.44Å; I234-M238 VanDerWaalsContact O-CG 3.29Å; I234-M238 WeakPolarHBondContact O-CG 3.38Å; I234-M238 PolarHBondContact O-N 3.14Å
235	L	98.4	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-47	174.7	176.2	57	0	0	0	111.3	L147 V231 G232 E237 M238 L239 L307 M310	L147-L235 HydrophobicContact CD1-CB 4.39Å; L147-L235 HydrophobicContact CD2-CD1 4.04Å; L147-L235 HydrophobicContact CD2-CD2 3.84Å; L147-L235 HydrophobicContact CD2-CG 4.46Å; V231-L235 PolarHBondContact O-N 2.86Å; G232-L235 PolarHBondContact O-N 3.09Å; L235-E237 VanDerWaalsContact C-N 3.28Å; L235-E237 PolarHBondContact O-N 3.44Å; L235-M238 HydrophobicContact CD1-CE 4.13Å; L235-M238 PolarHBondContact O-N 3Å; L235-L239 HydrophobicContact CD1-CG 4.48Å; L235-L239 HydrophobicContact CG-CD1 4.45Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 2.77Å; L235-L239 VanDerWaalsContact O-N 3.08Å; L235-L307 HydrophobicContact CB-CD1 4.18Å; L235-L307 HydrophobicContact CD2-CB 3.98Å; L235-L307 HydrophobicContact CD2-CD1 4.11Å; L235-L307 HydrophobicContact CG-CD1 4.13Å; L235-M310 HydrophobicContact CD2-SD 4.48Å
236	G	97.7	Very high	96.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.3	-38.9	174.6	0	0	0	0	0	113.2	G232 C233 I234 N240 Y296	G232-G236 PolarHBondContact O-N 3.28Å; C233-G236 PolarHBondContact O-N 3.35Å; I234-G236 VanDerWaalsContact C-N 3.34Å; I234-G236 PolarHBondContact O-N 2.93Å; G236-N240 PolarHBondContact O-OD1 3.37Å; G236-Y296 VanDerWaalsContact C-OH 3.22Å; G236-Y296 WeakPolarHBondContact CA-OH 3.32Å; G236-Y296 VanDerWaalsContact O-CE1 3.32Å; G236-Y296 WeakPolarHBondContact O-CE1 3.38Å; G236-Y296 PolarHBondContact O-OH 3.37Å
237	E	97.6	Very high	96.9	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-72.3	-36.8	176.9	-173.3	172.2	164.2	0	0	112.3	L133 Y210 C233 I234 L235 L239 N240 S241 R242	L133-E237 HydrophobicContact CD1-CG 3.95Å; Y210-E237 VanDerWaalsContact CE1-OE2 3.31Å; Y210-E237 WeakPolarHBondContact CE1-OE2 3.21Å; Y210-E237 VanDerWaalsContact CZ-OE2 3.32Å; Y210-E237 PolarHBondContact OH-OE2 2.85Å; C233-E237 WeakPolarHBondContact O-CB 3.37Å; C233-E237 PolarHBondContact O-N 3.42Å; I234-E237 CarbonylContact O-C 3.55Å; I234-E237 PolarHBondContact O-N 3.25Å; I234-E237 VanDerWaalsContact O-N 3.12Å; L235-E237 VanDerWaalsContact C-N 3.28Å; L235-E237 PolarHBondContact O-N 3.44Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.22Å; E237-N240 PolarHBondContact O-N 2.88Å; E237-S241 WeakPolarHBondContact O-CA 3.29Å; E237-S241 PolarHBondContact O-N 2.96Å; E237-R242 WeakPolarHBondContact CA-O 3.48Å; E237-R242 PolarHBondContact O-N 2.93Å
238	M	97.6	Very high	96.6	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-66.6	-31.5	176.3	-64.6	-168.5	-67.3	0	0	112.3	L129 L133 L138 L143 F146 L147 I234 L235 N240	L129-M238 HydrophobicContact CD1-CG 4.38Å; L129-M238 HydrophobicContact CD1-SD 4.15Å; L129-M238 HydrophobicContact CD2-CG 3.98Å; L129-M238 HydrophobicContact CD2-SD 3.86Å; L133-M238 HydrophobicContact CD1-CG 4.23Å; L133-M238 HydrophobicContact CD2-CB 4.31Å; L133-M238 HydrophobicContact CD2-CG 4.25Å; L138-M238 HydrophobicContact CD1-CB 4.21Å; L138-M238 HydrophobicContact CD1-CG 4.3Å; L138-M238 HydrophobicContact CD1-SD 4.33Å; L143-M238 HydrophobicContact CD2-CB 3.27Å; L143-M238 HydrophobicContact CD2-CG 4.31Å; L143-M238 WeakPolarHBondContact CD2-O 3.32Å; L143-M238 HydrophobicContact CD2-SD 4.3Å; F146-M238 HydrophobicContact CB-SD 4.07Å; F146-M238 HydrophobicContact CD2-SD 4.39Å; L147-M238 HydrophobicContact CB-CE 4.37Å; I234-M238 HydrophobicContact CG2-CE 4.39Å; I234-M238 HydrophobicContact CG2-CG 4.26Å; I234-M238 HydrophobicContact CG2-SD 4.44Å; I234-M238 VanDerWaalsContact O-CG 3.29Å; I234-M238 WeakPolarHBondContact O-CG 3.38Å; I234-M238 PolarHBondContact O-N 3.14Å; L235-M238 HydrophobicContact CD1-CE 4.13Å; L235-M238 PolarHBondContact O-N 3Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.76Å
239	L	96.6	Very high	96.1	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-25.4	179.9	-75.4	167.5	0	0	0	114.5	L143 L235 E237 Y296 H298 A299 L304 L307	L143-L239 HydrophobicContact CD1-CD2 3.67Å; L143-L239 HydrophobicContact CD1-CG 4.45Å; L235-L239 HydrophobicContact CD1-CG 4.48Å; L235-L239 HydrophobicContact CG-CD1 4.45Å; L235-L239 WeakPolarHBondContact O-CG 3.47Å; L235-L239 PolarHBondContact O-N 2.77Å; L235-L239 VanDerWaalsContact O-N 3.08Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 3.22Å; L239-Y296 HydrophobicContact CB-CD1 3.58Å; L239-Y296 HydrophobicContact CB-CE1 3.58Å; L239-Y296 HydrophobicContact CB-CG 4.32Å; L239-Y296 HydrophobicContact CD1-CD1 4.2Å; L239-Y296 HydrophobicContact CD1-CD2 4.24Å; L239-Y296 HydrophobicContact CD1-CE1 4.31Å; L239-Y296 HydrophobicContact CD1-CE2 4.39Å; L239-Y296 HydrophobicContact CD1-CG 4.14Å; L239-H298 PolarHBondContact O-CE1 3.01Å; L239-H298 PolarHBondContact O-NE2 2.82Å; L239-A299 HydrophobicContact CD2-CB 3.73Å; L239-L304 HydrophobicContact CD1-CD2 4.07Å; L239-L307 HydrophobicContact CD1-CD2 4.12Å
240	N	92.1	Very high	95.3	Very high	56 Å²	56	36.3 Å²	36.3	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-139.7	7	-176.5	69.5	3.1	0	0	0	114.9	G236 E237 M238 R242 Y296	G236-N240 PolarHBondContact O-OD1 3.37Å; E237-N240 PolarHBondContact O-N 2.88Å; M238-N240 VanDerWaalsContact C-N 3.32Å; M238-N240 PolarHBondContact O-N 2.76Å; N240-R242 PolarHBondContact O-N 3.44Å; N240-R242 PolarHBondContact OD1-N 3.42Å; N240-R242 PolarHBondContact OD1-O 2.93Å; N240-Y296 HydrophobicContact CB-CD1 4.24Å; N240-Y296 HydrophobicContact CB-CE1 3.89Å; N240-Y296 WeakPolarHBondContact ND2-CE1 3.35Å
241	S	94.6	Very high	94.7	Very high	31 Å²	31	38.8 Å²	38.8	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	28	-175.8	-59.7	0	0	0	0	114.5	L133 E237	L133-S241 VanDerWaalsContact O-CB 3.28Å; L133-S241 WeakPolarHBondContact O-CB 3.09Å; L133-S241 PolarHBondContact O-OG 3.12Å; E237-S241 WeakPolarHBondContact O-CA 3.29Å; E237-S241 PolarHBondContact O-N 2.96Å
242	R	94.6	Very high	94.3	Very high	185 Å²	185	40.7 Å²	40.7	70%	0.698	20%	0.196	S	C	*	.	S	Bend	trans	-137.1	134.9	180	-65	-177.7	-174.9	-159.6	1.1	111.3	E237 N240 L244	E237-R242 WeakPolarHBondContact CA-O 3.48Å; E237-R242 PolarHBondContact O-N 2.93Å; N240-R242 PolarHBondContact O-N 3.44Å; N240-R242 PolarHBondContact OD1-N 3.42Å; N240-R242 PolarHBondContact OD1-O 2.93Å; R242-L244 PolarHBondContact O-N 3.08Å
243	P	96	Very high	94.1	Very high	41 Å²	41	40.7 Å²	40.7	27%	0.266	20%	0.196	S	C	.	.			trans	-55.5	131.1	177	-24.7	32.7	0	0	0	111.3	W209 P246	W209-P243 HydrophobicContact CD2-CB 4.43Å; W209-P243 HydrophobicContact CE3-CB 3.82Å; W209-P243 HydrophobicContact CE3-CG 3.76Å; W209-P243 HydrophobicContact CZ3-CB 4.19Å; W209-P243 HydrophobicContact CZ3-CG 3.64Å; P243-P246 HydrophobicContact CB-CB 4.4Å
244	L	96	Very high	93.8	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	20%	0.195	C	C	.	.	S	Bend	trans	-68.8	-38.4	-176.3	178.9	55.8	0	0	0	112.5	R242 W292 L311	R242-L244 PolarHBondContact O-N 3.08Å; L244-W292 HydrophobicContact CD1-CZ3 4.38Å; L244-W292 HydrophobicContact CD2-CH2 4.21Å; L244-W292 HydrophobicContact CD2-CZ3 4.11Å; L244-L311 HydrophobicContact CD2-CD1 3.43Å; L244-L311 VanDerWaalsContact CD2-CD1 3.43Å
245	F	97	Very high	93.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.208	C	C	.	.			trans	-129.2	74.6	-177.5	-52.7	-60	0	0	0	112	W209 W229 G247 Q253 L256 I257 V260 V261 L311	W209-F245 WeakPolarHBondContact CA-O 3.47Å; W209-F245 WeakPolarHBondContact CB-O 3.31Å; W229-F245 HydrophobicContact CZ2-CD2 4.36Å; W229-F245 AromaticContact CZ2-CE2 3.83Å; W229-F245 HydrophobicContact CZ2-CE2 3.83Å; W229-F245 HydrophobicContact CZ2-CZ 4.49Å; F245-G247 PolarHBondContact O-N 2.82Å; F245-Q253 VanDerWaalsContact CB-NE2 3.29Å; F245-Q253 PolarHBondContact O-NE2 3.37Å; F245-Q253 PolarHBondContact O-OE1 3.47Å; F245-L256 HydrophobicContact CB-CB 4.48Å; F245-L256 HydrophobicContact CD1-CB 4.28Å; F245-I257 HydrophobicContact CB-CG1 4.32Å; F245-I257 HydrophobicContact CD1-CG1 4Å; F245-I257 HydrophobicContact CD2-CG1 3.97Å; F245-I257 HydrophobicContact CE1-CG1 4.28Å; F245-I257 HydrophobicContact CE2-CG1 4.25Å; F245-I257 HydrophobicContact CG-CG1 3.84Å; F245-I257 HydrophobicContact CZ-CG1 4.39Å; F245-V260 HydrophobicContact CE1-CB 3.9Å; F245-V260 HydrophobicContact CE1-CG1 4.47Å; F245-V260 HydrophobicContact CE1-CG2 3.92Å; F245-V260 HydrophobicContact CZ-CB 4.46Å; F245-V261 HydrophobicContact CZ-CG2 4.43Å; F245-L311 HydrophobicContact CE2-CD1 4.28Å; F245-L311 HydrophobicContact CE2-CD2 4.41Å; F245-L311 HydrophobicContact CZ-CD1 4.44Å
246	P	95.8	Very high	93.4	Very high	62 Å²	62	45.7 Å²	45.7	40%	0.403	22%	0.222	S	C	.	.			trans	-79.8	59.1	-175.5	33.4	-36.5	0	0	0	113.4	W209 P243	W209-P246 HydrophobicContact CD2-CB 4.5Å; W209-P246 HydrophobicContact CZ2-CB 4.39Å; P243-P246 HydrophobicContact CB-CB 4.4Å
247	G	94.4	Very high	93.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.01	22%	0.222	C	C	.	.			trans	-67.8	129.9	-175.2	0	0	0	0	0	114.6	R208 W209 F245 D252 Q253 L256	R208-G247 PolarHBondContact NH1-O 3.49Å; W209-G247 PolarHBondContact NE1-O 3.14Å; F245-G247 PolarHBondContact O-N 2.82Å; G247-D252 WeakPolarHBondContact CA-OD2 3.18Å; G247-Q253 VanDerWaalsContact CA-OE1 3.32Å; G247-Q253 VanDerWaalsContact N-OE1 3.14Å; G247-L256 VanDerWaalsContact CA-CD1 3.49Å
248	K	91.2	Very high	93.2	Very high	174 Å²	174	45.4 Å²	45.4	76%	0.757	22%	0.221	S	C	*	.	S	Bend	trans	-73.2	-33.6	-178.9	-64.2	177.7	-177.8	175.6	0	113	R208 D252	R208-K248 PolarHBondContact NH1-O 3.47Å; K248-D252 PolarHBondContact N-OD2 3.37Å
249	H	88	Confident	93.1	Very high	106 Å²	106	47.1 Å²	47.1	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	-148.8	176.5	177.6	50	82.1	0	0	0	110.3	R208 L251 D252 Q253	R208-H249 VanDerWaalsContact CD-C 3.45Å; R208-H249 WeakPolarHBondContact CD-O 3.28Å; H249-L251 PolarHBondContact O-N 3.22Å; H249-D252 PolarHBondContact ND1-N 3.22Å; H249-D252 PolarHBondContact O-N 3.43Å; H249-Q253 PolarHBondContact O-N 2.86Å
250	Y	81.7	Confident	93	Very high	51 Å²	51	47.7 Å²	47.7	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-51.4	-172.7	-81.6	-94.3	0	0	0	113.7	Y204 R211 M216 D252 Q253 L254	Y204-Y250 PolarHBondContact N-OH 3.32Å; Y204-Y250 VanDerWaalsContact N-OH 3.09Å; Y204-Y250 PolarHBondContact O-OH 3.13Å; R211-Y250 PolarHBondContact NH1-OH 3.49Å; M216-Y250 HydrophobicContact CG-CD1 4.2Å; Y250-D252 PolarHBondContact O-N 2.94Å; Y250-Q253 WeakPolarHBondContact O-CB 3.31Å; Y250-Q253 PolarHBondContact O-N 3.47Å; Y250-L254 PolarHBondContact O-N 3.48Å
251	L	84.9	Confident	93.2	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-68.4	-34.2	-179.9	-62.8	179.7	0	0	0	113.1	L201 H249 Q253 L254 N255 Y280	L201-L251 HydrophobicContact CD2-CD2 4.11Å; H249-L251 PolarHBondContact O-N 3.22Å; L251-Q253 VanDerWaalsContact C-N 3.35Å; L251-L254 PolarHBondContact O-N 3.48Å; L251-N255 WeakPolarHBondContact O-CB 3.39Å; L251-N255 VanDerWaalsContact O-CG 3.31Å; L251-N255 PolarHBondContact O-N 2.85Å; L251-N255 PolarHBondContact O-ND2 3.42Å; L251-Y280 HydrophobicContact CD2-CE1 3.99Å; L251-Y280 HydrophobicContact CD2-CE2 4.28Å
252	D	91.5	Very high	93.2	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-40.8	176.8	-172	49.6	0	0	0	111.1	G247 K248 H249 Y250 L254 N255 L256	G247-D252 WeakPolarHBondContact CA-OD2 3.18Å; K248-D252 PolarHBondContact N-OD2 3.37Å; H249-D252 PolarHBondContact ND1-N 3.22Å; H249-D252 PolarHBondContact O-N 3.43Å; Y250-D252 PolarHBondContact O-N 2.94Å; D252-L254 PolarHBondContact O-N 3.46Å; D252-N255 PolarHBondContact O-N 3.18Å; D252-L256 WeakPolarHBondContact O-CG 3.24Å; D252-L256 PolarHBondContact O-N 2.99Å
253	Q	93.4	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.3	-50.8	173.3	-174.5	68.5	27	0	0	111.5	R208 W209 M216 F245 G247 H249 Y250 L251 N255 L256 I257	R208-Q253 HydrophobicContact CG-CB 3.87Å; R208-Q253 HydrophobicContact CG-CG 3.88Å; R208-Q253 VanDerWaalsContact O-CD 3.26Å; R208-Q253 PolarHBondContact O-NE2 3.06Å; R208-Q253 PolarHBondContact O-OE1 2.79Å; W209-Q253 PolarHBondContact O-NE2 3.07Å; W209-Q253 VanDerWaalsContact O-NE2 3.16Å; M216-Q253 HydrophobicContact CE-CB 4.44Å; M216-Q253 HydrophobicContact CE-CG 3.84Å; M216-Q253 HydrophobicContact SD-CG 4.44Å; F245-Q253 VanDerWaalsContact CB-NE2 3.29Å; F245-Q253 PolarHBondContact O-NE2 3.37Å; F245-Q253 PolarHBondContact O-OE1 3.47Å; G247-Q253 VanDerWaalsContact CA-OE1 3.32Å; G247-Q253 VanDerWaalsContact N-OE1 3.14Å; H249-Q253 PolarHBondContact O-N 2.86Å; Y250-Q253 WeakPolarHBondContact O-CB 3.31Å; Y250-Q253 PolarHBondContact O-N 3.47Å; L251-Q253 VanDerWaalsContact C-N 3.35Å; Q253-N255 VanDerWaalsContact C-N 3.34Å; Q253-N255 PolarHBondContact O-N 3.35Å; Q253-L256 PolarHBondContact O-N 2.96Å; Q253-I257 HydrophobicContact CG-CD1 4.15Å; Q253-I257 VanDerWaalsContact O-CG1 3.29Å; Q253-I257 WeakPolarHBondContact O-CG1 3.34Å; Q253-I257 PolarHBondContact O-N 3.32Å; Q253-I257 VanDerWaalsContact O-N 3.08Å
254	L	91.8	Very high	93	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-42.2	178.7	-179.6	61	0	0	0	111.6	P213 M216 L217 Y250 L251 D252 L256 I257 L258 Y280	P213-L254 HydrophobicContact CB-CD1 4.29Å; M216-L254 HydrophobicContact CE-CB 4.35Å; L217-L254 HydrophobicContact CD2-CD2 3.83Å; Y250-L254 PolarHBondContact O-N 3.48Å; L251-L254 PolarHBondContact O-N 3.48Å; D252-L254 PolarHBondContact O-N 3.46Å; L254-L256 PolarHBondContact O-N 3.31Å; L254-I257 PolarHBondContact O-N 2.91Å; L254-L258 HydrophobicContact CD1-CD1 4.18Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.08Å; L254-L258 HydrophobicContact CG-CG 4.45Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.01Å; L254-Y280 HydrophobicContact CD2-CD1 4.22Å; L254-Y280 HydrophobicContact CD2-CE1 3.85Å
255	N	92.5	Very high	92.9	Very high	51 Å²	51	37.4 Å²	37.4	27%	0.273	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-39.3	178.5	-76.1	-26.6	0	0	0	113	L251 D252 Q253 A259	L251-N255 WeakPolarHBondContact O-CB 3.39Å; L251-N255 VanDerWaalsContact O-CG 3.31Å; L251-N255 PolarHBondContact O-N 2.85Å; L251-N255 PolarHBondContact O-ND2 3.42Å; D252-N255 PolarHBondContact O-N 3.18Å; Q253-N255 VanDerWaalsContact C-N 3.34Å; Q253-N255 PolarHBondContact O-N 3.35Å; N255-A259 WeakPolarHBondContact O-CB 3.49Å; N255-A259 PolarHBondContact O-N 3.03Å
256	L	95.6	Very high	92.6	Very high	55 Å²	55	43.7 Å²	43.7	29%	0.288	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-42.3	175.2	-71.3	171.4	0	0	0	111.4	F245 G247 D252 Q253 L254 A259	F245-L256 HydrophobicContact CB-CB 4.48Å; F245-L256 HydrophobicContact CD1-CB 4.28Å; G247-L256 VanDerWaalsContact CA-CD1 3.49Å; D252-L256 WeakPolarHBondContact O-CG 3.24Å; D252-L256 PolarHBondContact O-N 2.99Å; Q253-L256 PolarHBondContact O-N 2.96Å; L254-L256 PolarHBondContact O-N 3.31Å; L256-A259 WeakPolarHBondContact O-CB 3.4Å; L256-A259 PolarHBondContact O-N 3.48Å
257	I	96.1	Very high	92.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-53.6	176.2	-68.1	168.4	0	0	0	110.4	P213 M216 W229 F245 Q253 L254 A259 V260 V261	P213-I257 HydrophobicContact CB-CG2 4.42Å; M216-I257 HydrophobicContact CE-CD1 3.62Å; W229-I257 HydrophobicContact CH2-CG2 3.54Å; W229-I257 HydrophobicContact CZ2-CB 4.46Å; W229-I257 HydrophobicContact CZ2-CD1 3.78Å; W229-I257 HydrophobicContact CZ2-CG1 3.89Å; W229-I257 HydrophobicContact CZ2-CG2 3.73Å; F245-I257 HydrophobicContact CB-CG1 4.32Å; F245-I257 HydrophobicContact CD1-CG1 4Å; F245-I257 HydrophobicContact CD2-CG1 3.97Å; F245-I257 HydrophobicContact CE1-CG1 4.28Å; F245-I257 HydrophobicContact CE2-CG1 4.25Å; F245-I257 HydrophobicContact CG-CG1 3.84Å; F245-I257 HydrophobicContact CZ-CG1 4.39Å; Q253-I257 HydrophobicContact CG-CD1 4.15Å; Q253-I257 VanDerWaalsContact O-CG1 3.29Å; Q253-I257 WeakPolarHBondContact O-CG1 3.34Å; Q253-I257 PolarHBondContact O-N 3.32Å; Q253-I257 VanDerWaalsContact O-N 3.08Å; L254-I257 PolarHBondContact O-N 2.91Å; I257-A259 PolarHBondContact O-N 2.84Å; I257-V260 PolarHBondContact O-N 2.9Å; I257-V261 HydrophobicContact CG2-CB 4.48Å; I257-V261 HydrophobicContact CG2-CG2 4.18Å; I257-V261 PolarHBondContact O-N 3.27Å
258	L	95.3	Very high	92.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-25.3	-179.1	-65.3	177.4	0	0	0	112.8	L254 V260 G262 L284 K287 F313	L254-L258 HydrophobicContact CD1-CD1 4.18Å; L254-L258 HydrophobicContact CD1-CG 4.18Å; L254-L258 HydrophobicContact CG-CD1 4.08Å; L254-L258 HydrophobicContact CG-CG 4.45Å; L254-L258 WeakPolarHBondContact O-CG 3.38Å; L254-L258 PolarHBondContact O-N 3.01Å; L258-V260 VanDerWaalsContact C-N 3.26Å; L258-V260 PolarHBondContact O-N 2.9Å; L258-G262 WeakPolarHBondContact CD2-O 3.46Å; L258-G262 CarbonylContact O-C 3.44Å; L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.39Å; L258-L284 HydrophobicContact CD1-CD1 3.62Å; L258-K287 HydrophobicContact CB-CD 3.95Å; L258-K287 WeakPolarHBondContact O-CB 3.45Å; L258-F313 HydrophobicContact CD2-CD2 4.09Å; L258-F313 HydrophobicContact CD2-CE2 3.81Å
259	A	95.4	Very high	92.1	Very high	38 Å²	38	39.5 Å²	39.5	31%	0.314	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-24.4	175.6	0	0	0	0	0	113.3	N255 L256 I257	N255-A259 WeakPolarHBondContact O-CB 3.49Å; N255-A259 PolarHBondContact O-N 3.03Å; L256-A259 WeakPolarHBondContact O-CB 3.4Å; L256-A259 PolarHBondContact O-N 3.48Å; I257-A259 PolarHBondContact O-N 2.84Å
260	V	96	Very high	91.9	Very high	22 Å²	22	40.7 Å²	40.7	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-103.7	-52.6	179.3	177.3	0	0	0	0	110.9	F245 I257 L258 G262 K289 Q290 W292 I295	F245-V260 HydrophobicContact CE1-CB 3.9Å; F245-V260 HydrophobicContact CE1-CG1 4.47Å; F245-V260 HydrophobicContact CE1-CG2 3.92Å; F245-V260 HydrophobicContact CZ-CB 4.46Å; I257-V260 PolarHBondContact O-N 2.9Å; L258-V260 VanDerWaalsContact C-N 3.26Å; L258-V260 PolarHBondContact O-N 2.9Å; V260-G262 VanDerWaalsContact C-N 3.26Å; V260-G262 PolarHBondContact O-N 2.84Å; V260-K289 WeakPolarHBondContact O-CA 3.31Å; V260-Q290 PolarHBondContact O-N 3.34Å; V260-W292 HydrophobicContact CG1-CE3 4.29Å; V260-W292 HydrophobicContact CG1-CH2 3.46Å; V260-W292 VanDerWaalsContact CG1-CH2 3.46Å; V260-W292 HydrophobicContact CG1-CZ2 4.31Å; V260-W292 HydrophobicContact CG1-CZ3 3.46Å; V260-W292 VanDerWaalsContact CG1-CZ3 3.46Å; V260-I295 HydrophobicContact CG1-CD1 3.58Å; V260-I295 HydrophobicContact CG2-CD1 4.43Å
261	V	95.7	Very high	92	Very high	15 Å²	15	40.8 Å²	40.8	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-73.4	-20.9	-176.5	-179.4	0	0	0	0	112	W229 F245 I257 K289 F313	W229-V261 HydrophobicContact CH2-CG2 4.18Å; F245-V261 HydrophobicContact CZ-CG2 4.43Å; I257-V261 HydrophobicContact CG2-CB 4.48Å; I257-V261 HydrophobicContact CG2-CG2 4.18Å; I257-V261 PolarHBondContact O-N 3.27Å; V261-K289 WeakPolarHBondContact O-CB 3.39Å; V261-K289 WeakPolarHBondContact O-CG 3.33Å; V261-F313 HydrophobicContact CG1-CB 4.1Å
262	G	94.6	Very high	92	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	21%	0.21	C	C	.	.			trans	91.5	169.1	-176.7	0	0	0	0	0	112.7	L258 V260 K287	L258-G262 WeakPolarHBondContact CD2-O 3.46Å; L258-G262 CarbonylContact O-C 3.44Å; L258-G262 WeakPolarHBondContact O-CA 3.38Å; L258-G262 PolarHBondContact O-N 3.39Å; V260-G262 VanDerWaalsContact C-N 3.26Å; V260-G262 PolarHBondContact O-N 2.84Å; G262-K287 CarbonylContact C-O 3.6Å; G262-K287 WeakPolarHBondContact CA-O 3.4Å
263	S	93.1	Very high	91.4	Very high	35 Å²	35	41.4 Å²	41.4	25%	0.245	23%	0.226	C	C	.	.	S	Bend	trans	-63.7	138.6	169.6	-68.1	0	0	0	0	110.1	H286 K287	S263-H286 WeakPolarHBondContact OG-CA 3.17Å; S263-K287 PolarHBondContact N-O 2.88Å; S263-K287 PolarHBondContact OG-N 3.02Å
264	P	93.4	Very high	90.9	Very high	17 Å²	17	42.9 Å²	42.9	11%	0.11	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-61.9	150	177.4	24.9	-32.9	0	0	0	111.3	D268 L269 I281 F313	P264-D268 HydrophobicContact CB-CB 3.92Å; P264-L269 HydrophobicContact CB-CD2 4.32Å; P264-L269 HydrophobicContact CB-CG 4.25Å; P264-L269 HydrophobicContact CG-CD2 3.58Å; P264-L269 HydrophobicContact CG-CG 3.93Å; P264-I281 HydrophobicContact CG-CD1 4.49Å; P264-I281 HydrophobicContact CG-CG2 3.6Å; P264-F313 HydrophobicContact CB-CD1 3.73Å; P264-F313 HydrophobicContact CB-CE1 3.6Å; P264-F313 HydrophobicContact CB-CG 4.26Å; P264-F313 HydrophobicContact CB-CZ 4.02Å; P264-F313 HydrophobicContact CG-CE1 4.05Å; P264-F313 HydrophobicContact CG-CE2 4.46Å; P264-F313 HydrophobicContact CG-CZ 3.99Å
265	S	92.4	Very high	90.6	Very high	50 Å²	50	49.1 Å²	49.1	35%	0.35	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-67.8	163.6	171.4	67.9	0	0	0	0	111	E267 D268 L269	S265-E267 PolarHBondContact O-N 2.73Å; S265-D268 PolarHBondContact N-OD2 3.03Å; S265-D268 PolarHBondContact O-N 3.45Å; S265-D268 VanDerWaalsContact O-N 3.08Å; S265-D268 PolarHBondContact OG-N 3.01Å; S265-D268 PolarHBondContact OG-OD2 3.25Å; S265-L269 WeakPolarHBondContact O-CG 3.39Å; S265-L269 PolarHBondContact O-N 3.12Å
266	E	90.8	Very high	90.2	Very high	133 Å²	133	54.3 Å²	54.3	62%	0.621	28%	0.284	S	S	*	.	H	α-helix	trans	-57.6	-37.1	174.9	-170	59.3	-149.6	0	0	111.7	L269 Q270	E266-L269 PolarHBondContact O-N 3.06Å; E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.68Å
267	E	91	Very high	89.7	Confident	114 Å²	114	51.7 Å²	51.7	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175.2	-167.2	-162.1	154.3	0	0	111.7	S265 L269 Q270 K317	S265-E267 PolarHBondContact O-N 2.73Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.96Å; E267-Q270 WeakPolarHBondContact O-CB 3.36Å; E267-Q270 PolarHBondContact O-N 3.27Å; E267-K317 WeakPolarHBondContact OE1-CE 3.43Å; E267-K317 IonicContact OE1-NZ 2.83Å; E267-K317 PolarHBondContact OE1-NZ 3.43Å; E267-K317 IonicContact OE2-NZ 3.2Å; E267-K317 PolarHBondContact OE2-NZ 3.06Å
268	D	91.5	Very high	89.3	Confident	22 Å²	22	55.9 Å²	55.9	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-70.9	-31.3	179.4	-58.4	-38.3	0	0	0	112.2	P264 S265 Q270 C271 F313 N314 K317	P264-D268 HydrophobicContact CB-CB 3.92Å; S265-D268 PolarHBondContact N-OD2 3.03Å; S265-D268 PolarHBondContact O-N 3.45Å; S265-D268 VanDerWaalsContact O-N 3.08Å; S265-D268 PolarHBondContact OG-N 3.01Å; S265-D268 PolarHBondContact OG-OD2 3.25Å; D268-Q270 VanDerWaalsContact C-N 3.29Å; D268-Q270 PolarHBondContact O-N 3.27Å; D268-C271 PolarHBondContact O-N 3.09Å; D268-F313 HydrophobicContact CB-CD1 4.1Å; D268-F313 HydrophobicContact CB-CE1 4.47Å; D268-N314 HydrophobicContact CB-CB 4.18Å; D268-N314 VanDerWaalsContact OD1-CB 3.25Å; D268-N314 WeakPolarHBondContact OD1-CB 3.41Å; D268-N314 PolarHBondContact OD1-ND2 2.99Å; D268-K317 WeakPolarHBondContact OD1-CE 3.38Å; D268-K317 IonicContact OD1-NZ 3.44Å; D268-K317 PolarHBondContact OD1-NZ 3.16Å
269	L	88.6	Confident	89	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-32.6	173	-74.7	174.2	0	0	0	112.3	P264 S265 E266 E267 C271 I272 I281 V282	P264-L269 HydrophobicContact CB-CD2 4.32Å; P264-L269 HydrophobicContact CB-CG 4.25Å; P264-L269 HydrophobicContact CG-CD2 3.58Å; P264-L269 HydrophobicContact CG-CG 3.93Å; S265-L269 WeakPolarHBondContact O-CG 3.39Å; S265-L269 PolarHBondContact O-N 3.12Å; E266-L269 PolarHBondContact O-N 3.06Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.96Å; L269-C271 VanDerWaalsContact C-N 3.25Å; L269-C271 PolarHBondContact O-N 2.99Å; L269-I272 HydrophobicContact CD2-CD1 4.02Å; L269-I272 WeakPolarHBondContact O-CB 3.41Å; L269-I272 PolarHBondContact O-N 3.4Å; L269-I272 VanDerWaalsContact O-N 3.11Å; L269-I281 HydrophobicContact CD2-CB 4.14Å; L269-I281 HydrophobicContact CD2-CG2 3.68Å; L269-V282 HydrophobicContact CD1-CG2 3.96Å; L269-V282 HydrophobicContact CD2-CG2 4.48Å
270	Q	85.5	Confident	88.6	Confident	131 Å²	131	60.1 Å²	60.1	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-67.6	-24.9	177.6	-71.2	170.7	13.9	0	0	112.8	E266 E267 D268 I272	E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.68Å; E267-Q270 WeakPolarHBondContact O-CB 3.36Å; E267-Q270 PolarHBondContact O-N 3.27Å; D268-Q270 VanDerWaalsContact C-N 3.29Å; D268-Q270 PolarHBondContact O-N 3.27Å; Q270-I272 PolarHBondContact O-N 3.01Å
271	C	83.1	Confident	88.3	Confident	52 Å²	52	59.5 Å²	59.5	35%	0.351	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.4	173.3	-60.8	0	0	0	0	113.2	D268 L269 I273 N314	D268-C271 PolarHBondContact O-N 3.09Å; L269-C271 VanDerWaalsContact C-N 3.25Å; L269-C271 PolarHBondContact O-N 2.99Å; C271-I273 PolarHBondContact O-N 2.97Å; C271-N314 PolarHBondContact SG-ND2 3.29Å
272	I	84.4	Confident	88	Confident	6 Å²	6	63.5 Å²	63.5	3%	0.031	33%	0.325	C	S	.	.			trans	-85.7	95.2	178.1	-53.5	171.9	0	0	0	109.4	L217 L269 Q270 N274 A277 R278 I281 F313	L217-I272 HydrophobicContact CB-CG2 4.46Å; L217-I272 HydrophobicContact CD1-CD1 4.01Å; L269-I272 HydrophobicContact CD2-CD1 4.02Å; L269-I272 WeakPolarHBondContact O-CB 3.41Å; L269-I272 PolarHBondContact O-N 3.4Å; L269-I272 VanDerWaalsContact O-N 3.11Å; Q270-I272 PolarHBondContact O-N 3.01Å; I272-N274 VanDerWaalsContact C-N 3.29Å; I272-N274 PolarHBondContact O-N 3.28Å; I272-A277 HydrophobicContact CG2-CB 3.89Å; I272-R278 HydrophobicContact CB-CB 4.37Å; I272-R278 HydrophobicContact CG2-CB 4.19Å; I272-I281 HydrophobicContact CD1-CD1 3.9Å; I272-F313 HydrophobicContact CD1-CE1 4.28Å; I272-F313 HydrophobicContact CD1-CZ 4.26Å
273	I	80	Confident	87.9	Confident	107 Å²	107	67.4 Å²	67.4	55%	0.549	35%	0.352	S	S	.	.			trans	-62.4	-34.9	179.7	-59.4	173.3	0	0	0	112.2	H197 N218 C271 E275	H197-I273 WeakPolarHBondContact CE1-CD1 3.27Å; H197-I273 VanDerWaalsContact NE2-CD1 3.33Å; H197-I273 WeakPolarHBondContact NE2-CD1 3.25Å; N218-I273 PolarHBondContact ND2-N 3.46Å; C271-I273 PolarHBondContact O-N 2.97Å; I273-E275 PolarHBondContact O-N 3.11Å; I273-E275 VanDerWaalsContact O-N 3.17Å
274	N	82.8	Confident	87.8	Confident	32 Å²	32	67.3 Å²	67.3	17%	0.171	35%	0.349	C	S	.	.			trans	-73.6	110.8	-177.9	-170.3	-63.5	0	0	0	111.1	F200 N218 I272 K276 A277 R278	F200-N274 PolarHBondContact N-ND2 3.21Å; F200-N274 VanDerWaalsContact N-ND2 3.12Å; N218-N274 HydrophobicContact CB-CB 3.78Å; I272-N274 VanDerWaalsContact C-N 3.29Å; I272-N274 PolarHBondContact O-N 3.28Å; N274-K276 VanDerWaalsContact C-N 3.32Å; N274-K276 PolarHBondContact O-N 3.24Å; N274-K276 WeakPolarHBondContact OD1-CB 3.34Å; N274-K276 PolarHBondContact OD1-N 3.26Å; N274-A277 HydrophobicContact CB-CB 3.89Å; N274-A277 WeakPolarHBondContact O-CB 3.36Å; N274-A277 PolarHBondContact O-N 2.95Å; N274-A277 VanDerWaalsContact O-N 3.16Å; N274-A277 PolarHBondContact OD1-N 2.99Å; N274-A277 VanDerWaalsContact OD1-N 3.08Å; N274-R278 PolarHBondContact O-N 3.39Å
275	E	84.9	Confident	87.7	Confident	132 Å²	132	71.4 Å²	71.4	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-60.4	-38.3	-176.5	-55.2	-167.4	143.9	0	0	113.2	I273 R278 S279	I273-E275 PolarHBondContact O-N 3.11Å; I273-E275 VanDerWaalsContact O-N 3.17Å; E275-R278 PolarHBondContact O-N 3.23Å; E275-R278 IonicContact OE1-NH2 3.01Å; E275-S279 WeakPolarHBondContact O-CB 3.5Å; E275-S279 PolarHBondContact O-N 3.31Å; E275-S279 PolarHBondContact O-OG 2.86Å; E275-S279 VanDerWaalsContact O-OG 3.08Å
276	K	84.9	Confident	87.8	Confident	160 Å²	160	76.2 Å²	76.2	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-64.6	-42.2	178.1	-64.6	-177.5	179.4	178.2	0	111.2	F200 N274 Y280	F200-K276 HydrophobicContact CB-CB 4.42Å; F200-K276 HydrophobicContact CD1-CB 4.27Å; N274-K276 VanDerWaalsContact C-N 3.32Å; N274-K276 PolarHBondContact O-N 3.24Å; N274-K276 WeakPolarHBondContact OD1-CB 3.34Å; N274-K276 PolarHBondContact OD1-N 3.26Å; K276-Y280 WeakPolarHBondContact O-CB 2.95Å; K276-Y280 PolarHBondContact O-N 3.28Å
277	A	84.6	Confident	88	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-44.9	177.1	0	0	0	0	0	111.5	F200 L217 I272 N274 Y280 I281	F200-A277 HydrophobicContact CB-CB 4.39Å; F200-A277 HydrophobicContact CD2-CB 3.36Å; F200-A277 HydrophobicContact CE2-CB 3.79Å; F200-A277 HydrophobicContact CG-CB 4.06Å; L217-A277 HydrophobicContact CB-CB 4.03Å; L217-A277 HydrophobicContact CD2-CB 4.03Å; L217-A277 WeakPolarHBondContact O-CB 3.32Å; I272-A277 HydrophobicContact CG2-CB 3.89Å; N274-A277 HydrophobicContact CB-CB 3.89Å; N274-A277 WeakPolarHBondContact O-CB 3.36Å; N274-A277 PolarHBondContact O-N 2.95Å; N274-A277 VanDerWaalsContact O-N 3.16Å; N274-A277 PolarHBondContact OD1-N 2.99Å; N274-A277 VanDerWaalsContact OD1-N 3.08Å; A277-Y280 PolarHBondContact O-N 3.28Å; A277-I281 PolarHBondContact O-N 2.71Å
278	R	88.2	Confident	88.2	Confident	88 Å²	88	73.9 Å²	73.9	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-49.7	176.3	-176.7	175.7	57.9	-173	-4.6	111.5	I272 N274 E275 Y280 I281 V282	I272-R278 HydrophobicContact CB-CB 4.37Å; I272-R278 HydrophobicContact CG2-CB 4.19Å; N274-R278 PolarHBondContact O-N 3.39Å; E275-R278 PolarHBondContact O-N 3.23Å; E275-R278 IonicContact OE1-NH2 3.01Å; R278-Y280 VanDerWaalsContact C-N 3.29Å; R278-Y280 PolarHBondContact O-N 3.11Å; R278-I281 PolarHBondContact O-N 3.44Å; R278-V282 WeakPolarHBondContact O-CG2 3.27Å; R278-V282 PolarHBondContact O-N 3.07Å
279	S	88.4	Confident	88.4	Confident	77 Å²	77	77 Å²	77	54%	0.538	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-38.7	176.4	-65.7	0	0	0	0	112.3	E275 V282 S283	E275-S279 WeakPolarHBondContact O-CB 3.5Å; E275-S279 PolarHBondContact O-N 3.31Å; E275-S279 PolarHBondContact O-OG 2.86Å; E275-S279 VanDerWaalsContact O-OG 3.08Å; S279-V282 PolarHBondContact O-N 3.23Å; S279-S283 WeakPolarHBondContact O-CB 3.49Å; S279-S283 PolarHBondContact O-N 3.2Å
280	Y	87.4	Confident	88.7	Confident	51 Å²	51	79.3 Å²	79.3	20%	0.2	41%	0.406	C	S	.	.	H	α-helix	trans	-61.2	-49.4	175.4	175.8	-97.4	0	0	0	111.4	F200 L251 L254 K276 A277 R278 V282 S283 L284	F200-Y280 HydrophobicContact CZ-CD1 4.13Å; F200-Y280 HydrophobicContact CZ-CG 4.02Å; L251-Y280 HydrophobicContact CD2-CE1 3.99Å; L251-Y280 HydrophobicContact CD2-CE2 4.28Å; L254-Y280 HydrophobicContact CD2-CD1 4.22Å; L254-Y280 HydrophobicContact CD2-CE1 3.85Å; K276-Y280 WeakPolarHBondContact O-CB 2.95Å; K276-Y280 PolarHBondContact O-N 3.28Å; A277-Y280 PolarHBondContact O-N 3.28Å; R278-Y280 VanDerWaalsContact C-N 3.29Å; R278-Y280 PolarHBondContact O-N 3.11Å; Y280-V282 PolarHBondContact O-N 3.46Å; Y280-S283 PolarHBondContact O-N 3.21Å; Y280-S283 VanDerWaalsContact O-N 3.15Å; Y280-S283 PolarHBondContact O-OG 2.82Å; Y280-L284 HydrophobicContact CD1-CD1 4.47Å; Y280-L284 HydrophobicContact CE1-CD1 3.92Å; Y280-L284 HydrophobicContact CE1-CD2 4.31Å; Y280-L284 HydrophobicContact CE1-CG 4.33Å; Y280-L284 HydrophobicContact CE2-CD2 4.46Å; Y280-L284 PolarHBondContact O-N 3.47Å
281	I	88.7	Confident	89.3	Confident	10 Å²	10	76.1 Å²	76.1	5%	0.051	40%	0.396	C	S	.	.	H	α-helix	trans	-61.5	-44.1	178.2	-68.2	-164.5	0	0	0	111.7	L217 P264 L269 I272 A277 R278 S283 L284 F313	L217-I281 HydrophobicContact CD1-CD1 3.66Å; L217-I281 HydrophobicContact CD2-CD1 3.6Å; L217-I281 HydrophobicContact CD2-CG1 3.9Å; L217-I281 HydrophobicContact CG-CD1 4.29Å; P264-I281 HydrophobicContact CG-CD1 4.49Å; P264-I281 HydrophobicContact CG-CG2 3.6Å; L269-I281 HydrophobicContact CD2-CB 4.14Å; L269-I281 HydrophobicContact CD2-CG2 3.68Å; I272-I281 HydrophobicContact CD1-CD1 3.9Å; A277-I281 PolarHBondContact O-N 2.71Å; R278-I281 PolarHBondContact O-N 3.44Å; I281-S283 PolarHBondContact O-N 2.85Å; I281-L284 WeakPolarHBondContact O-CB 3.29Å; I281-L284 PolarHBondContact O-N 3.43Å; I281-F313 HydrophobicContact CD1-CE2 4.29Å; I281-F313 HydrophobicContact CD1-CZ 3.78Å
282	V	90.6	Very high	90	Very high	98 Å²	98	74.4 Å²	74.4	59%	0.594	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-30.8	178.2	172.4	0	0	0	0	111.8	L269 R278 S279 Y280 L284	L269-V282 HydrophobicContact CD1-CG2 3.96Å; L269-V282 HydrophobicContact CD2-CG2 4.48Å; R278-V282 WeakPolarHBondContact O-CG2 3.27Å; R278-V282 PolarHBondContact O-N 3.07Å; S279-V282 PolarHBondContact O-N 3.23Å; Y280-V282 PolarHBondContact O-N 3.46Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 3.09Å
283	S	91.6	Very high	90.5	Very high	86 Å²	86	79.2 Å²	79.2	60%	0.601	41%	0.408	S	S	*	.	H	α-helix	trans	-73.5	-15.7	176.8	78.2	0	0	0	0	114.4	S279 Y280 I281	S279-S283 WeakPolarHBondContact O-CB 3.49Å; S279-S283 PolarHBondContact O-N 3.2Å; Y280-S283 PolarHBondContact O-N 3.21Å; Y280-S283 VanDerWaalsContact O-N 3.15Å; Y280-S283 PolarHBondContact O-OG 2.82Å; I281-S283 PolarHBondContact O-N 2.85Å
284	L	90.7	Very high	91.2	Very high	34 Å²	34	81.1 Å²	81.1	18%	0.178	41%	0.413	C	S	.	.	S	Bend	trans	-75.9	145.6	179.9	-62.7	176.3	0	0	0	111.1	L258 Y280 I281 V282 H286	L258-L284 HydrophobicContact CD1-CD1 3.62Å; Y280-L284 HydrophobicContact CD1-CD1 4.47Å; Y280-L284 HydrophobicContact CE1-CD1 3.92Å; Y280-L284 HydrophobicContact CE1-CD2 4.31Å; Y280-L284 HydrophobicContact CE1-CG 4.33Å; Y280-L284 HydrophobicContact CE2-CD2 4.46Å; Y280-L284 PolarHBondContact O-N 3.47Å; I281-L284 WeakPolarHBondContact O-CB 3.29Å; I281-L284 PolarHBondContact O-N 3.43Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 3.09Å; L284-H286 PolarHBondContact O-N 3.17Å
285	P	92.2	Very high	91.8	Very high	102 Å²	102	82.5 Å²	82.5	66%	0.662	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-56.1	138.1	171.5	-23.6	33.4	0	0	0	111.4	K287	P285-K287 PolarHBondContact O-N 3.41Å
286	H	93.4	Very high	92.4	Very high	151 Å²	151	76.3 Å²	76.3	70%	0.699	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-59.2	133.4	177.9	-176.6	75.9	0	0	0	111.4	S263 L284	S263-H286 WeakPolarHBondContact OG-CA 3.17Å; L284-H286 PolarHBondContact O-N 3.17Å
287	K	94.9	Very high	92.9	Very high	69 Å²	69	73.8 Å²	73.8	30%	0.3	39%	0.393	S	S	.	.			trans	-121.6	127.6	-178.9	-71.1	165.6	-178.4	-76.2	0	110	L258 G262 S263 P285	L258-K287 HydrophobicContact CB-CD 3.95Å; L258-K287 WeakPolarHBondContact O-CB 3.45Å; G262-K287 CarbonylContact C-O 3.6Å; G262-K287 WeakPolarHBondContact CA-O 3.4Å; S263-K287 PolarHBondContact N-O 2.88Å; S263-K287 PolarHBondContact OG-N 3.02Å; P285-K287 PolarHBondContact O-N 3.41Å
288	I	95.1	Very high	93.3	Very high	130 Å²	130	80.1 Å²	80.1	67%	0.667	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-80.7	129.5	175.9	-57.9	173.2	0	0	0	108.9	Q290	I288-Q290 PolarHBondContact O-N 3.32Å; I288-Q290 PolarHBondContact O-NE2 3.19Å; I288-Q290 VanDerWaalsContact O-NE2 3.14Å
289	K	96.6	Very high	93.7	Very high	86 Å²	86	76.7 Å²	76.7	37%	0.374	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-51.5	128	174	-178.1	-179.9	178.2	92.3	0	110.3	V260 V261 D308	V260-K289 WeakPolarHBondContact O-CA 3.31Å; V261-K289 WeakPolarHBondContact O-CB 3.39Å; V261-K289 WeakPolarHBondContact O-CG 3.33Å; K289-D308 WeakPolarHBondContact CE-OD1 3.46Å; K289-D308 IonicContact NZ-OD1 3.7Å; K289-D308 PolarHBondContact NZ-OD1 2.93Å
290	Q	95.9	Very high	94.1	Very high	63 Å²	63	75.4 Å²	75.4	29%	0.294	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-80.6	131.6	174.2	-64.3	-55.6	-63.1	0	0	109.4	V260 I288 W292 I295	V260-Q290 PolarHBondContact O-N 3.34Å; I288-Q290 PolarHBondContact O-N 3.32Å; I288-Q290 PolarHBondContact O-NE2 3.19Å; I288-Q290 VanDerWaalsContact O-NE2 3.14Å; Q290-W292 PolarHBondContact O-N 3.12Å; Q290-I295 HydrophobicContact CB-CD1 4.06Å
291	P	96.6	Very high	94.6	Very high	64 Å²	64	77.8 Å²	77.8	42%	0.416	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71.9	132.4	178	32	-35.7	0	0	0	109.7	N293 K294	P291-N293 VanDerWaalsContact C-N 3.25Å; P291-N293 WeakPolarHBondContact CB-OD1 3.3Å; P291-N293 PolarHBondContact O-N 3.32Å; P291-K294 HydrophobicContact CG-CB 3.96Å; P291-K294 HydrophobicContact CG-CD 4.48Å; P291-K294 WeakPolarHBondContact O-CB 3.29Å; P291-K294 PolarHBondContact O-N 3.1Å
292	W	97.6	Very high	95.1	Very high	17 Å²	17	81.5 Å²	81.5	6%	0.064	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-34.3	-173	-66.1	116.7	0	0	0	113.7	L244 V260 Q290 K294 I295 Y296 L304 L307 D308 L311	L244-W292 HydrophobicContact CD1-CZ3 4.38Å; L244-W292 HydrophobicContact CD2-CH2 4.21Å; L244-W292 HydrophobicContact CD2-CZ3 4.11Å; V260-W292 HydrophobicContact CG1-CE3 4.29Å; V260-W292 HydrophobicContact CG1-CH2 3.46Å; V260-W292 VanDerWaalsContact CG1-CH2 3.46Å; V260-W292 HydrophobicContact CG1-CZ2 4.31Å; V260-W292 HydrophobicContact CG1-CZ3 3.46Å; V260-W292 VanDerWaalsContact CG1-CZ3 3.46Å; Q290-W292 PolarHBondContact O-N 3.12Å; W292-K294 PolarHBondContact O-N 3.2Å; W292-I295 HydrophobicContact CE3-CD1 3.97Å; W292-I295 HydrophobicContact CZ3-CD1 4.1Å; W292-I295 PolarHBondContact O-N 3.22Å; W292-Y296 HydrophobicContact CE3-CD2 4.18Å; W292-Y296 AromaticContact CE3-CE2 3.9Å; W292-Y296 HydrophobicContact CE3-CE2 3.9Å; W292-Y296 HydrophobicContact CZ3-CE2 4.2Å; W292-Y296 PolarHBondContact O-N 3.46Å; W292-L304 HydrophobicContact CB-CB 4.13Å; W292-L304 HydrophobicContact CB-CD1 4.18Å; W292-L304 HydrophobicContact CB-CD2 4.15Å; W292-L304 HydrophobicContact CB-CG 4.39Å; W292-L307 HydrophobicContact CD2-CD2 3.98Å; W292-L307 HydrophobicContact CD2-CG 4.48Å; W292-L307 HydrophobicContact CE3-CD2 3.77Å; W292-L307 HydrophobicContact CG-CD2 4.5Å; W292-L307 HydrophobicContact CZ3-CD2 4.08Å; W292-D308 PolarHBondContact NE1-OD1 3.23Å; W292-L311 HydrophobicContact CH2-CB 4.38Å; W292-L311 HydrophobicContact CH2-CD1 3.5Å; W292-L311 VanDerWaalsContact CH2-CD1 3.5Å; W292-L311 HydrophobicContact CZ2-CB 4.06Å; W292-L311 HydrophobicContact CZ2-CD1 3.92Å; W292-L311 HydrophobicContact CZ3-CD1 4.3Å
293	N	96.2	Very high	95.5	Very high	106 Å²	106	76.9 Å²	76.9	57%	0.567	41%	0.409	S	S	*	.	H	α-helix	trans	-62.9	-20.5	176.8	65	-8	0	0	0	113.6	P291 S297 L304	P291-N293 VanDerWaalsContact C-N 3.25Å; P291-N293 WeakPolarHBondContact CB-OD1 3.3Å; P291-N293 PolarHBondContact O-N 3.32Å; N293-S297 WeakPolarHBondContact O-CA 3.31Å; N293-S297 PolarHBondContact O-N 2.81Å; N293-L304 HydrophobicContact CB-CD1 4.12Å
294	K	95.2	Very high	95.8	Very high	148 Å²	148	73.6 Å²	73.6	64%	0.643	39%	0.385	S	S	*	.	H	α-helix	trans	-81.2	-29.9	173.4	-175	-178.5	175.4	-170.9	0	111.9	P291 W292	P291-K294 HydrophobicContact CG-CB 3.96Å; P291-K294 HydrophobicContact CG-CD 4.48Å; P291-K294 WeakPolarHBondContact O-CB 3.29Å; P291-K294 PolarHBondContact O-N 3.1Å; W292-K294 PolarHBondContact O-N 3.2Å
295	I	95.4	Very high	96.2	Very high	61 Å²	61	75.5 Å²	75.5	31%	0.313	40%	0.395	S	S	.	.	H	α-helix	trans	-81.4	-40.3	177.1	-58.6	175.2	0	0	0	110.1	V260 Q290 W292	V260-I295 HydrophobicContact CG1-CD1 3.58Å; V260-I295 HydrophobicContact CG2-CD1 4.43Å; Q290-I295 HydrophobicContact CB-CD1 4.06Å; W292-I295 HydrophobicContact CE3-CD1 3.97Å; W292-I295 HydrophobicContact CZ3-CD1 4.1Å; W292-I295 PolarHBondContact O-N 3.22Å
296	Y	96.3	Very high	96.5	Very high	1 Å²	1	70.7 Å²	70.7	0%	0.004	36%	0.364	C	S	.	.			trans	-125.9	70.3	-174.4	-58.2	-71.7	0	0	0	110.2	G236 L239 N240 W292 H298 A299 L304 L307	G236-Y296 VanDerWaalsContact C-OH 3.22Å; G236-Y296 WeakPolarHBondContact CA-OH 3.32Å; G236-Y296 VanDerWaalsContact O-CE1 3.32Å; G236-Y296 WeakPolarHBondContact O-CE1 3.38Å; G236-Y296 PolarHBondContact O-OH 3.37Å; L239-Y296 HydrophobicContact CB-CD1 3.58Å; L239-Y296 HydrophobicContact CB-CE1 3.58Å; L239-Y296 HydrophobicContact CB-CG 4.32Å; L239-Y296 HydrophobicContact CD1-CD1 4.2Å; L239-Y296 HydrophobicContact CD1-CD2 4.24Å; L239-Y296 HydrophobicContact CD1-CE1 4.31Å; L239-Y296 HydrophobicContact CD1-CE2 4.39Å; L239-Y296 HydrophobicContact CD1-CG 4.14Å; N240-Y296 HydrophobicContact CB-CD1 4.24Å; N240-Y296 HydrophobicContact CB-CE1 3.89Å; N240-Y296 WeakPolarHBondContact ND2-CE1 3.35Å; W292-Y296 HydrophobicContact CE3-CD2 4.18Å; W292-Y296 AromaticContact CE3-CE2 3.9Å; W292-Y296 HydrophobicContact CE3-CE2 3.9Å; W292-Y296 HydrophobicContact CZ3-CE2 4.2Å; W292-Y296 PolarHBondContact O-N 3.46Å; Y296-H298 PolarHBondContact O-N 3.18Å; Y296-A299 WeakPolarHBondContact O-CB 3.42Å; Y296-A299 PolarHBondContact O-N 2.78Å; Y296-L304 HydrophobicContact CD2-CD2 4.05Å; Y296-L304 HydrophobicContact CG-CD2 4.28Å; Y296-L307 HydrophobicContact CD2-CD2 4.15Å; Y296-L307 HydrophobicContact CE2-CD2 3.79Å
297	S	95	Very high	96.7	Very high	108 Å²	108	63.5 Å²	63.5	76%	0.755	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.1	-173.4	56.2	0	0	0	0	114.8	N293	N293-S297 WeakPolarHBondContact O-CA 3.31Å; N293-S297 PolarHBondContact O-N 2.81Å
298	H	93.9	Very high	96.9	Very high	133 Å²	133	62.5 Å²	62.5	62%	0.616	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.5	-179.8	60.4	-76.4	0	0	0	113.7	L239 Y296	L239-H298 PolarHBondContact O-CE1 3.01Å; L239-H298 PolarHBondContact O-NE2 2.82Å; Y296-H298 PolarHBondContact O-N 3.18Å
299	A	96.6	Very high	97	Very high	15 Å²	15	59.6 Å²	59.6	12%	0.124	31%	0.311	C	S	.	.	S	Bend	trans	-80.1	152	-173.3	0	0	0	0	0	112.7	L239 Y296 L304	L239-A299 HydrophobicContact CD2-CB 3.73Å; Y296-A299 WeakPolarHBondContact O-CB 3.42Å; Y296-A299 PolarHBondContact O-N 2.78Å; A299-L304 HydrophobicContact CB-CD1 4.16Å; A299-L304 HydrophobicContact CB-CD2 3.61Å; A299-L304 HydrophobicContact CB-CG 3.88Å
300	D	97.1	Very high	97.1	Very high	50 Å²	50	55.5 Å²	55.5	27%	0.267	29%	0.293	S	S	.	.			trans	-60.3	128.4	172	-172.1	-49.6	0	0	0	110.2	K302 A303 L304 Y329	D300-K302 PolarHBondContact O-N 3.19Å; D300-K302 VanDerWaalsContact OD1-CB 3.28Å; D300-K302 WeakPolarHBondContact OD1-CB 3.37Å; D300-K302 PolarHBondContact OD1-N 3.38Å; D300-A303 HydrophobicContact CB-CB 4.08Å; D300-A303 VanDerWaalsContact O-CB 3.3Å; D300-A303 WeakPolarHBondContact O-CB 3.17Å; D300-A303 PolarHBondContact O-N 2.78Å; D300-L304 PolarHBondContact O-N 2.8Å; D300-L304 VanDerWaalsContact O-N 3.13Å; D300-Y329 HydrophobicContact CB-CE2 4.09Å
301	P	97.9	Very high	97.3	Very high	102 Å²	102	52.5 Å²	52.5	66%	0.662	28%	0.279	S	S	*	.	H	α-helix	trans	-53.8	-35.1	177.8	-27.2	35.3	0	0	0	114.1	L304 D305	P301-L304 PolarHBondContact O-N 2.83Å; P301-D305 WeakPolarHBondContact O-CB 3.44Å; P301-D305 PolarHBondContact O-N 3.39Å
302	K	98.3	Very high	97.3	Very high	88 Å²	88	51 Å²	51	38%	0.383	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-34.9	176.6	-62.4	179.1	167	-168.4	0	111.7	D300 L304 D305 L306 H327 P328 Y329 E331	D300-K302 PolarHBondContact O-N 3.19Å; D300-K302 VanDerWaalsContact OD1-CB 3.28Å; D300-K302 WeakPolarHBondContact OD1-CB 3.37Å; D300-K302 PolarHBondContact OD1-N 3.38Å; K302-L304 VanDerWaalsContact C-N 3.35Å; K302-D305 PolarHBondContact O-N 3.41Å; K302-L306 PolarHBondContact O-N 3.36Å; K302-L306 VanDerWaalsContact O-N 3.1Å; K302-H327 PolarHBondContact O-CE1 2.89Å; K302-H327 VanDerWaalsContact O-CE1 3.31Å; K302-P328 HydrophobicContact CD-CB 4.31Å; K302-P328 WeakPolarHBondContact CD-O 3.43Å; K302-P328 PolarHBondContact NZ-O 3.45Å; K302-P328 VanDerWaalsContact NZ-O 3.08Å; K302-Y329 HydrophobicContact CB-CD2 4Å; K302-Y329 HydrophobicContact CB-CG 4.37Å; K302-E331 IonicContact NZ-OE2 2.81Å
303	A	98.4	Very high	97.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-42	174.6	0	0	0	0	0	111	D300 L306 L307 Y329	D300-A303 HydrophobicContact CB-CB 4.08Å; D300-A303 VanDerWaalsContact O-CB 3.3Å; D300-A303 WeakPolarHBondContact O-CB 3.17Å; D300-A303 PolarHBondContact O-N 2.78Å; A303-L306 PolarHBondContact O-N 3.06Å; A303-L307 WeakPolarHBondContact O-CB 3.36Å; A303-L307 PolarHBondContact O-N 3.23Å; A303-Y329 HydrophobicContact CB-CD1 4.16Å; A303-Y329 HydrophobicContact CB-CD2 3.88Å; A303-Y329 HydrophobicContact CB-CE1 3.84Å; A303-Y329 HydrophobicContact CB-CE2 3.56Å; A303-Y329 HydrophobicContact CB-CG 4.18Å
304	L	98.3	Very high	97	Very high	17 Å²	17	46 Å²	46	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-35.4	178.5	-60.5	-172.7	0	0	0	112.6	L239 W292 N293 Y296 A299 D300 P301 K302 L307 D308	L239-L304 HydrophobicContact CD1-CD2 4.07Å; W292-L304 HydrophobicContact CB-CB 4.13Å; W292-L304 HydrophobicContact CB-CD1 4.18Å; W292-L304 HydrophobicContact CB-CD2 4.15Å; W292-L304 HydrophobicContact CB-CG 4.39Å; N293-L304 HydrophobicContact CB-CD1 4.12Å; Y296-L304 HydrophobicContact CD2-CD2 4.05Å; Y296-L304 HydrophobicContact CG-CD2 4.28Å; A299-L304 HydrophobicContact CB-CD1 4.16Å; A299-L304 HydrophobicContact CB-CD2 3.61Å; A299-L304 HydrophobicContact CB-CG 3.88Å; D300-L304 PolarHBondContact O-N 2.8Å; D300-L304 VanDerWaalsContact O-N 3.13Å; P301-L304 PolarHBondContact O-N 2.83Å; K302-L304 VanDerWaalsContact C-N 3.35Å; L304-L307 HydrophobicContact CD2-CD2 4.36Å; L304-L307 PolarHBondContact O-N 3.37Å; L304-D308 PolarHBondContact O-N 3.18Å
305	D	98.6	Very high	96.9	Very high	75 Å²	75	40.5 Å²	40.5	40%	0.401	22%	0.222	S	C	.	.	H	α-helix	trans	-65.6	-40.9	174.2	-177.6	52.3	0	0	0	112	P301 K302 D308 K309 H327	P301-D305 WeakPolarHBondContact O-CB 3.44Å; P301-D305 PolarHBondContact O-N 3.39Å; K302-D305 PolarHBondContact O-N 3.41Å; D305-D308 PolarHBondContact O-N 2.97Å; D305-K309 WeakPolarHBondContact O-CG 3.35Å; D305-K309 PolarHBondContact O-N 3.15Å; D305-K309 IonicContact OD1-NZ 3.86Å; D305-K309 PolarHBondContact OD1-NZ 2.89Å; D305-K309 IonicContact OD2-NZ 3.77Å; D305-K309 PolarHBondContact OD2-NZ 3.4Å; D305-H327 IonicContact OD2-CE1 3.7Å; D305-H327 PolarHBondContact OD2-CE1 3.25Å; D305-H327 IonicContact OD2-NE2 2.92Å; D305-H327 PolarHBondContact OD2-NE2 2.68Å
306	L	98.7	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-43	172.9	-176.1	51.9	0	0	0	112	L147 K302 A303 D308 K309 M310 I319 A324 H327 Y329 L330	L147-L306 HydrophobicContact CD2-CD2 3.69Å; K302-L306 PolarHBondContact O-N 3.36Å; K302-L306 VanDerWaalsContact O-N 3.1Å; A303-L306 PolarHBondContact O-N 3.06Å; L306-D308 VanDerWaalsContact C-N 3.28Å; L306-D308 PolarHBondContact O-N 3.13Å; L306-K309 PolarHBondContact O-N 3.23Å; L306-M310 HydrophobicContact CD1-CE 3.92Å; L306-M310 HydrophobicContact CD1-CG 4.36Å; L306-M310 HydrophobicContact CD2-CE 4.09Å; L306-M310 HydrophobicContact CG-CE 3.88Å; L306-M310 HydrophobicContact CG-SD 4.38Å; L306-M310 WeakPolarHBondContact O-CG 3.42Å; L306-M310 PolarHBondContact O-N 3.26Å; L306-I319 HydrophobicContact CD1-CD1 3.94Å; L306-A324 HydrophobicContact CD1-CB 4.15Å; L306-H327 HydrophobicContact CD1-CB 3.93Å; L306-H327 HydrophobicContact CD2-CB 4.14Å; L306-Y329 HydrophobicContact CD2-CD1 4.2Å; L306-L330 HydrophobicContact CD2-CD1 4.35Å; L306-L330 HydrophobicContact CD2-CG 4.41Å
307	L	98.6	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-43.2	176.1	-179.3	67.1	0	0	0	111.3	G232 L235 L239 W292 Y296 A303 L304 K309 M310 L311	G232-L307 WeakPolarHBondContact O-CD1 3.27Å; L235-L307 HydrophobicContact CB-CD1 4.18Å; L235-L307 HydrophobicContact CD2-CB 3.98Å; L235-L307 HydrophobicContact CD2-CD1 4.11Å; L235-L307 HydrophobicContact CG-CD1 4.13Å; L239-L307 HydrophobicContact CD1-CD2 4.12Å; W292-L307 HydrophobicContact CD2-CD2 3.98Å; W292-L307 HydrophobicContact CD2-CG 4.48Å; W292-L307 HydrophobicContact CE3-CD2 3.77Å; W292-L307 HydrophobicContact CG-CD2 4.5Å; W292-L307 HydrophobicContact CZ3-CD2 4.08Å; Y296-L307 HydrophobicContact CD2-CD2 4.15Å; Y296-L307 HydrophobicContact CE2-CD2 3.79Å; A303-L307 WeakPolarHBondContact O-CB 3.36Å; A303-L307 PolarHBondContact O-N 3.23Å; L304-L307 HydrophobicContact CD2-CD2 4.36Å; L304-L307 PolarHBondContact O-N 3.37Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.99Å; L307-M310 PolarHBondContact O-N 2.88Å; L307-L311 HydrophobicContact CD1-CD1 3.59Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 4.03Å; L307-L311 WeakPolarHBondContact O-CB 3.3Å; L307-L311 PolarHBondContact O-N 3.02Å
308	D	98.5	Very high	96.9	Very high	49 Å²	49	43.6 Å²	43.6	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-44.6	177.4	-165.2	58.5	0	0	0	112	K289 W292 L304 D305 L306 M310 L311 T312	K289-D308 WeakPolarHBondContact CE-OD1 3.46Å; K289-D308 IonicContact NZ-OD1 3.7Å; K289-D308 PolarHBondContact NZ-OD1 2.93Å; W292-D308 PolarHBondContact NE1-OD1 3.23Å; L304-D308 PolarHBondContact O-N 3.18Å; D305-D308 PolarHBondContact O-N 2.97Å; L306-D308 VanDerWaalsContact C-N 3.28Å; L306-D308 PolarHBondContact O-N 3.13Å; D308-M310 PolarHBondContact O-N 3.18Å; D308-L311 CarbonylContact O-C 3.47Å; D308-L311 PolarHBondContact O-N 3.12Å; D308-T312 PolarHBondContact O-N 2.65Å; D308-T312 PolarHBondContact O-OG1 3.34Å
309	K	98.6	Very high	97.1	Very high	68 Å²	68	38 Å²	38	30%	0.296	20%	0.2	S	C	.	.	H	α-helix	trans	-67.5	-32.8	178.9	-68.7	-176.9	-177.4	71.6	0	113.3	D305 L306 L307 T312 I319	D305-K309 WeakPolarHBondContact O-CG 3.35Å; D305-K309 PolarHBondContact O-N 3.15Å; D305-K309 IonicContact OD1-NZ 3.86Å; D305-K309 PolarHBondContact OD1-NZ 2.89Å; D305-K309 IonicContact OD2-NZ 3.77Å; D305-K309 PolarHBondContact OD2-NZ 3.4Å; L306-K309 PolarHBondContact O-N 3.23Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-OG1 3.04Å; K309-T312 VanDerWaalsContact O-OG1 3.08Å; K309-I319 HydrophobicContact CB-CB 4.02Å; K309-I319 HydrophobicContact CB-CD1 4.16Å; K309-I319 HydrophobicContact CB-CG2 4.11Å; K309-I319 HydrophobicContact CD-CD1 3.97Å; K309-I319 PolarHBondContact O-N 2.95Å
310	M	98.7	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-74.8	-37.3	174.5	-69.5	-176.9	171.7	0	0	112.5	L147 L151 I228 V231 L235 L306 L307 D308 T312 R318 I319 A324	L147-M310 HydrophobicContact CD1-CE 4.23Å; L151-M310 HydrophobicContact CD1-CE 3.84Å; L151-M310 HydrophobicContact CD2-CE 3.85Å; L151-M310 HydrophobicContact CG-CE 4.33Å; I228-M310 HydrophobicContact CG2-CB 4.09Å; I228-M310 HydrophobicContact CG2-CG 3.91Å; V231-M310 HydrophobicContact CG1-CE 4.02Å; V231-M310 HydrophobicContact CG1-SD 3.98Å; L235-M310 HydrophobicContact CD2-SD 4.48Å; L306-M310 HydrophobicContact CD1-CE 3.92Å; L306-M310 HydrophobicContact CD1-CG 4.36Å; L306-M310 HydrophobicContact CD2-CE 4.09Å; L306-M310 HydrophobicContact CG-CE 3.88Å; L306-M310 HydrophobicContact CG-SD 4.38Å; L306-M310 WeakPolarHBondContact O-CG 3.42Å; L306-M310 PolarHBondContact O-N 3.26Å; L307-M310 PolarHBondContact O-N 2.88Å; D308-M310 PolarHBondContact O-N 3.18Å; M310-T312 VanDerWaalsContact C-N 3.28Å; M310-T312 PolarHBondContact O-N 3.44Å; M310-R318 WeakPolarHBondContact O-CD 3.39Å; M310-R318 VanDerWaalsContact O-CG 3.26Å; M310-R318 WeakPolarHBondContact O-CG 3.45Å; M310-I319 HydrophobicContact CB-CG2 4.47Å; M310-I319 HydrophobicContact CG-CG2 3.79Å; M310-A324 HydrophobicContact CE-CB 3.86Å
311	L	98.2	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	32.2	-179.8	-62.4	-178.1	0	0	0	112.9	W229 L244 F245 W292 L307 D308	W229-L311 HydrophobicContact CD2-CD2 3.86Å; W229-L311 HydrophobicContact CE3-CD2 3.99Å; W229-L311 HydrophobicContact CG-CD2 4.38Å; W229-L311 HydrophobicContact CH2-CD2 4.25Å; W229-L311 HydrophobicContact CZ2-CD2 4.11Å; W229-L311 HydrophobicContact CZ3-CB 4.28Å; W229-L311 HydrophobicContact CZ3-CD2 4.2Å; L244-L311 HydrophobicContact CD2-CD1 3.43Å; L244-L311 VanDerWaalsContact CD2-CD1 3.43Å; F245-L311 HydrophobicContact CE2-CD1 4.28Å; F245-L311 HydrophobicContact CE2-CD2 4.41Å; F245-L311 HydrophobicContact CZ-CD1 4.44Å; W292-L311 HydrophobicContact CH2-CB 4.38Å; W292-L311 HydrophobicContact CH2-CD1 3.5Å; W292-L311 VanDerWaalsContact CH2-CD1 3.5Å; W292-L311 HydrophobicContact CZ2-CB 4.06Å; W292-L311 HydrophobicContact CZ2-CD1 3.92Å; W292-L311 HydrophobicContact CZ3-CD1 4.3Å; L307-L311 HydrophobicContact CD1-CD1 3.59Å; L307-L311 HydrophobicContact CD1-CG 4.09Å; L307-L311 HydrophobicContact CG-CD1 4.03Å; L307-L311 WeakPolarHBondContact O-CB 3.3Å; L307-L311 PolarHBondContact O-N 3.02Å; D308-L311 CarbonylContact O-C 3.47Å; D308-L311 PolarHBondContact O-N 3.12Å
312	T	97.1	Very high	97.3	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.209	19%	0.186	C	C	.	.			trans	-70	127	169.5	-59.4	0	0	0	0	110	D308 K309 M310 N314 K317 R318	D308-T312 PolarHBondContact O-N 2.65Å; D308-T312 PolarHBondContact O-OG1 3.34Å; K309-T312 PolarHBondContact O-OG1 3.04Å; K309-T312 VanDerWaalsContact O-OG1 3.08Å; M310-T312 VanDerWaalsContact C-N 3.28Å; M310-T312 PolarHBondContact O-N 3.44Å; T312-N314 PolarHBondContact O-N 3.15Å; T312-K317 HydrophobicContact CG2-CB 3.75Å; T312-R318 PolarHBondContact O-NE 3.43Å; T312-R318 VanDerWaalsContact O-NE 3.07Å; T312-R318 PolarHBondContact O-NH2 3.37Å; T312-R318 VanDerWaalsContact O-NH2 3.13Å
313	F	94.9	Very high	97.3	Very high	14 Å²	14	38.2 Å²	38.2	6%	0.061	19%	0.192	C	C	.	.	S	Bend	trans	-57.5	-51.1	-178.3	178.4	-88.7	0	0	0	111.7	P213 L217 L258 V261 P264 D268 I272 I281 P315 R318	P213-F313 HydrophobicContact CB-CD2 3.96Å; P213-F313 HydrophobicContact CB-CE2 3.77Å; P213-F313 HydrophobicContact CG-CD2 3.94Å; P213-F313 HydrophobicContact CG-CE2 4.22Å; P213-F313 HydrophobicContact CG-CG 4.49Å; L217-F313 HydrophobicContact CD1-CE2 4.33Å; L217-F313 HydrophobicContact CD1-CZ 3.76Å; L258-F313 HydrophobicContact CD2-CD2 4.09Å; L258-F313 HydrophobicContact CD2-CE2 3.81Å; V261-F313 HydrophobicContact CG1-CB 4.1Å; P264-F313 HydrophobicContact CB-CD1 3.73Å; P264-F313 HydrophobicContact CB-CE1 3.6Å; P264-F313 HydrophobicContact CB-CG 4.26Å; P264-F313 HydrophobicContact CB-CZ 4.02Å; P264-F313 HydrophobicContact CG-CE1 4.05Å; P264-F313 HydrophobicContact CG-CE2 4.46Å; P264-F313 HydrophobicContact CG-CZ 3.99Å; D268-F313 HydrophobicContact CB-CD1 4.1Å; D268-F313 HydrophobicContact CB-CE1 4.47Å; I272-F313 HydrophobicContact CD1-CE1 4.28Å; I272-F313 HydrophobicContact CD1-CZ 4.26Å; I281-F313 HydrophobicContact CD1-CE2 4.29Å; I281-F313 HydrophobicContact CD1-CZ 3.78Å; F313-P315 WeakPolarHBondContact O-CD 3.38Å; F313-R318 PolarHBondContact O-NH2 2.93Å
314	N	92.8	Very high	97.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-74.8	116.3	-179.5	-173.2	-21.1	0	0	0	110.4	D268 C271 T312 N316 K317 R318	D268-N314 HydrophobicContact CB-CB 4.18Å; D268-N314 VanDerWaalsContact OD1-CB 3.25Å; D268-N314 WeakPolarHBondContact OD1-CB 3.41Å; D268-N314 PolarHBondContact OD1-ND2 2.99Å; C271-N314 PolarHBondContact SG-ND2 3.29Å; T312-N314 PolarHBondContact O-N 3.15Å; N314-N316 PolarHBondContact O-N 3.08Å; N314-N316 VanDerWaalsContact O-N 3.16Å; N314-N316 WeakPolarHBondContact OD1-CB 3.32Å; N314-N316 PolarHBondContact OD1-N 3.03Å; N314-N316 VanDerWaalsContact OD1-N 3.08Å; N314-K317 HydrophobicContact CB-CB 4.24Å; N314-K317 HydrophobicContact CB-CD 4.11Å; N314-K317 HydrophobicContact CB-CG 4.21Å; N314-K317 PolarHBondContact O-N 2.98Å; N314-R318 PolarHBondContact O-N 3.04Å
315	P	93.4	Very high	97.3	Very high	32 Å²	32	37.4 Å²	37.4	21%	0.208	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.3	-177.5	23.8	-33.5	0	0	0	113.3	E214 S225 F313 K317 R318	E214-P315 HydrophobicContact CB-CG 4.44Å; E214-P315 HydrophobicContact CG-CG 4.32Å; S225-P315 WeakPolarHBondContact OG-CB 3.18Å; F313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-K317 VanDerWaalsContact C-N 3.3Å; P315-K317 PolarHBondContact O-N 3.45Å; P315-R318 WeakPolarHBondContact O-CB 3.49Å; P315-R318 PolarHBondContact O-N 3.16Å
316	N	92.2	Very high	97.3	Very high	133 Å²	133	36.1 Å²	36.1	71%	0.711	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.5	178.6	-61.4	-34.2	0	0	0	113.1	N314	N314-N316 PolarHBondContact O-N 3.08Å; N314-N316 VanDerWaalsContact O-N 3.16Å; N314-N316 WeakPolarHBondContact OD1-CB 3.32Å; N314-N316 PolarHBondContact OD1-N 3.03Å; N314-N316 VanDerWaalsContact OD1-N 3.08Å
317	K	95.7	Very high	97.3	Very high	87 Å²	87	36.7 Å²	36.7	38%	0.378	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-5.9	177	-62.7	178.7	-179.8	170.8	0	112.3	E267 D268 T312 N314 P315	E267-K317 WeakPolarHBondContact OE1-CE 3.43Å; E267-K317 IonicContact OE1-NZ 2.83Å; E267-K317 PolarHBondContact OE1-NZ 3.43Å; E267-K317 IonicContact OE2-NZ 3.2Å; E267-K317 PolarHBondContact OE2-NZ 3.06Å; D268-K317 WeakPolarHBondContact OD1-CE 3.38Å; D268-K317 IonicContact OD1-NZ 3.44Å; D268-K317 PolarHBondContact OD1-NZ 3.16Å; T312-K317 HydrophobicContact CG2-CB 3.75Å; N314-K317 HydrophobicContact CB-CB 4.24Å; N314-K317 HydrophobicContact CB-CD 4.11Å; N314-K317 HydrophobicContact CB-CG 4.21Å; N314-K317 PolarHBondContact O-N 2.98Å; P315-K317 VanDerWaalsContact C-N 3.3Å; P315-K317 PolarHBondContact O-N 3.45Å
318	R	97.7	Very high	97.3	Very high	14 Å²	14	39.9 Å²	39.9	5%	0.053	21%	0.211	C	C	.	.	S	Bend	trans	-71	137	178.4	-164.2	176.3	-60.7	141.7	5.7	109.3	E214 S225 I228 M310 T312 F313 N314 P315	E214-R318 IonicContact OE1-CZ 3.59Å; E214-R318 IonicContact OE1-NH1 3.18Å; E214-R318 PolarHBondContact OE1-NH1 3.35Å; E214-R318 IonicContact OE1-NH2 2.71Å; E214-R318 PolarHBondContact OE1-NH2 2.76Å; E214-R318 IonicContact OE2-CZ 2.88Å; E214-R318 IonicContact OE2-NH1 3.49Å; E214-R318 IonicContact OE2-NH2 3.97Å; E214-R318 PolarHBondContact OE2-NH2 2.95Å; S225-R318 VanDerWaalsContact C-NH1 3.28Å; S225-R318 VanDerWaalsContact O-CD 3.32Å; S225-R318 WeakPolarHBondContact O-CD 3.41Å; S225-R318 PolarHBondContact O-NH1 3.37Å; I228-R318 HydrophobicContact CB-CG 4.48Å; I228-R318 HydrophobicContact CG2-CG 3.99Å; M310-R318 WeakPolarHBondContact O-CD 3.39Å; M310-R318 VanDerWaalsContact O-CG 3.26Å; M310-R318 WeakPolarHBondContact O-CG 3.45Å; T312-R318 PolarHBondContact O-NE 3.43Å; T312-R318 VanDerWaalsContact O-NE 3.07Å; T312-R318 PolarHBondContact O-NH2 3.37Å; T312-R318 VanDerWaalsContact O-NH2 3.13Å; F313-R318 PolarHBondContact O-NH2 2.93Å; N314-R318 PolarHBondContact O-N 3.04Å; P315-R318 WeakPolarHBondContact O-CB 3.49Å; P315-R318 PolarHBondContact O-N 3.16Å
319	I	98.7	Very high	97.3	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.077	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-55.8	141.4	178.7	-162.9	169.6	0	0	0	110.6	I228 L306 K309 M310 Q323 A324	I228-I319 HydrophobicContact CG2-CG2 3.92Å; I228-I319 WeakPolarHBondContact CG2-O 3.06Å; L306-I319 HydrophobicContact CD1-CD1 3.94Å; K309-I319 HydrophobicContact CB-CB 4.02Å; K309-I319 HydrophobicContact CB-CD1 4.16Å; K309-I319 HydrophobicContact CB-CG2 4.11Å; K309-I319 HydrophobicContact CD-CD1 3.97Å; K309-I319 PolarHBondContact O-N 2.95Å; M310-I319 HydrophobicContact CB-CG2 4.47Å; M310-I319 HydrophobicContact CG-CG2 3.79Å; I319-Q323 HydrophobicContact CD1-CB 3.88Å; I319-Q323 HydrophobicContact CG1-CB 3.36Å; I319-Q323 HydrophobicContact CG1-CG 4.48Å; I319-A324 HydrophobicContact CD1-CB 4.12Å; I319-A324 HydrophobicContact CG1-CB 4.38Å; I319-A324 HydrophobicContact CG2-CB 4.35Å
320	N	98.3	Very high	97.3	Very high	67 Å²	67	35 Å²	35	36%	0.358	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-85.6	172.6	170.9	68.7	33	0	0	0	111.3	E322 Q323 A324	N320-E322 PolarHBondContact O-N 3.4Å; N320-E322 PolarHBondContact OD1-N 2.73Å; N320-E322 PolarHBondContact OD1-OE2 2.87Å; N320-Q323 VanDerWaalsContact N-OE1 3.08Å; N320-Q323 PolarHBondContact O-N 3.37Å; N320-Q323 VanDerWaalsContact OD1-CB 3.23Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.2Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.14Å; N320-Q323 PolarHBondContact OD1-N 3.42Å; N320-Q323 PolarHBondContact OD1-OE1 3.25Å; N320-A324 WeakPolarHBondContact O-CB 3.3Å; N320-A324 PolarHBondContact O-N 3.27Å
321	V	98.5	Very high	97.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-38	-174.3	66.4	0	0	0	0	112.4	L151 L154 K155 H158 I228 A324 L325	L151-V321 HydrophobicContact CB-CG2 4.38Å; L151-V321 HydrophobicContact CD2-CG2 4.11Å; L151-V321 VanDerWaalsContact O-CG2 3.3Å; L151-V321 WeakPolarHBondContact O-CG2 3.17Å; L154-V321 HydrophobicContact CB-CG2 4.09Å; L154-V321 HydrophobicContact CD2-CG2 4.44Å; L154-V321 HydrophobicContact CG-CG2 4.27Å; K155-V321 HydrophobicContact CB-CG1 4.23Å; K155-V321 HydrophobicContact CB-CG2 4.01Å; K155-V321 HydrophobicContact CG-CG1 4.49Å; H158-V321 HydrophobicContact CB-CG1 4.26Å; I228-V321 HydrophobicContact CD1-CB 3.95Å; V321-A324 PolarHBondContact O-N 3.33Å; V321-L325 HydrophobicContact CG2-CD1 4.45Å; V321-L325 PolarHBondContact O-N 3.07Å
322	E	98.3	Very high	97.2	Very high	85 Å²	85	47.1 Å²	47.1	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-42.8	178.8	-60.6	90	164.9	0	0	111.8	N320 A324 L325 A326	N320-E322 PolarHBondContact O-N 3.4Å; N320-E322 PolarHBondContact OD1-N 2.73Å; N320-E322 PolarHBondContact OD1-OE2 2.87Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.33Å; E322-L325 PolarHBondContact O-N 3.38Å; E322-A326 PolarHBondContact O-N 3.31Å
323	Q	98.5	Very high	97.2	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	25%	0.247	S	C	.	.	H	α-helix	trans	-64.6	-36	174.7	-72.4	167.8	-17.3	0	0	111.8	I319 N320 A326 H327	I319-Q323 HydrophobicContact CD1-CB 3.88Å; I319-Q323 HydrophobicContact CG1-CB 3.36Å; I319-Q323 HydrophobicContact CG1-CG 4.48Å; N320-Q323 VanDerWaalsContact N-OE1 3.08Å; N320-Q323 PolarHBondContact O-N 3.37Å; N320-Q323 VanDerWaalsContact OD1-CB 3.23Å; N320-Q323 WeakPolarHBondContact OD1-CB 3.2Å; N320-Q323 WeakPolarHBondContact OD1-CG 3.14Å; N320-Q323 PolarHBondContact OD1-N 3.42Å; N320-Q323 PolarHBondContact OD1-OE1 3.25Å; Q323-A326 PolarHBondContact O-N 3.49Å; Q323-H327 PolarHBondContact O-N 3.13Å
324	A	98.8	Very high	97.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-41	176.9	0	0	0	0	0	111.9	L151 L306 M310 I319 N320 V321 E322 A326 H327 L330	L151-A324 HydrophobicContact CD1-CB 3.91Å; L151-A324 HydrophobicContact CD2-CB 4Å; L306-A324 HydrophobicContact CD1-CB 4.15Å; M310-A324 HydrophobicContact CE-CB 3.86Å; I319-A324 HydrophobicContact CD1-CB 4.12Å; I319-A324 HydrophobicContact CG1-CB 4.38Å; I319-A324 HydrophobicContact CG2-CB 4.35Å; N320-A324 WeakPolarHBondContact O-CB 3.3Å; N320-A324 PolarHBondContact O-N 3.27Å; V321-A324 PolarHBondContact O-N 3.33Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.33Å; A324-A326 VanDerWaalsContact C-N 3.35Å; A324-H327 WeakPolarHBondContact O-CB 3.4Å; A324-H327 PolarHBondContact O-N 3.14Å; A324-L330 WeakPolarHBondContact O-CD1 3.47Å
325	L	98.6	Very high	97.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-41.6	173.9	-78.4	164.3	0	0	0	111.9	Y148 L151 K155 V321 E322 H327 Y334	Y148-L325 HydrophobicContact CD2-CD2 3.84Å; Y148-L325 HydrophobicContact CE2-CD2 4Å; L151-L325 HydrophobicContact CB-CD2 3.67Å; L151-L325 HydrophobicContact CB-CG 3.86Å; K155-L325 HydrophobicContact CB-CD1 3.9Å; K155-L325 HydrophobicContact CD-CD1 3.7Å; K155-L325 HydrophobicContact CG-CD1 4.24Å; V321-L325 HydrophobicContact CG2-CD1 4.45Å; V321-L325 PolarHBondContact O-N 3.07Å; E322-L325 PolarHBondContact O-N 3.38Å; L325-H327 PolarHBondContact O-N 3.07Å; L325-H327 VanDerWaalsContact O-N 3.16Å; L325-Y334 VanDerWaalsContact C-CD2 3.41Å; L325-Y334 HydrophobicContact CB-CD2 3.94Å; L325-Y334 HydrophobicContact CB-CE2 4.02Å; L325-Y334 WeakPolarHBondContact O-CD2 3.28Å
326	A	98.5	Very high	97.6	Very high	49 Å²	49	57.9 Å²	57.9	41%	0.405	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	3.4	177	0	0	0	0	0	114.5	E322 Q323 A324 Y334	E322-A326 PolarHBondContact O-N 3.31Å; Q323-A326 PolarHBondContact O-N 3.49Å; A324-A326 VanDerWaalsContact C-N 3.35Å; A326-Y334 HydrophobicContact CB-CE1 4.07Å; A326-Y334 HydrophobicContact CB-CE2 3.98Å
327	H	98.8	Very high	97.7	Very high	11 Å²	11	56 Å²	56	5%	0.051	30%	0.295	C	S	.	.	S	Bend	trans	-71.9	143	-176.1	-166.3	-91.6	0	0	0	111.9	K302 D305 L306 Q323 A324 L325 Y329 L330	K302-H327 PolarHBondContact O-CE1 2.89Å; K302-H327 VanDerWaalsContact O-CE1 3.31Å; D305-H327 IonicContact OD2-CE1 3.7Å; D305-H327 PolarHBondContact OD2-CE1 3.25Å; D305-H327 IonicContact OD2-NE2 2.92Å; D305-H327 PolarHBondContact OD2-NE2 2.68Å; L306-H327 HydrophobicContact CD1-CB 3.93Å; L306-H327 HydrophobicContact CD2-CB 4.14Å; Q323-H327 PolarHBondContact O-N 3.13Å; A324-H327 WeakPolarHBondContact O-CB 3.4Å; A324-H327 PolarHBondContact O-N 3.14Å; L325-H327 PolarHBondContact O-N 3.07Å; L325-H327 VanDerWaalsContact O-N 3.16Å; H327-Y329 PolarHBondContact ND1-N 3.13Å; H327-Y329 PolarHBondContact O-N 2.83Å; H327-L330 PolarHBondContact O-N 3.48Å
328	P	98.5	Very high	97.7	Very high	68 Å²	68	56 Å²	56	44%	0.442	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-13.1	179.8	-29.1	35.8	0	0	0	116.9	K302	K302-P328 HydrophobicContact CD-CB 4.31Å; K302-P328 WeakPolarHBondContact CD-O 3.43Å; K302-P328 PolarHBondContact NZ-O 3.45Å; K302-P328 VanDerWaalsContact NZ-O 3.08Å
329	Y	98.6	Very high	97.7	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.051	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.8	174.5	-176.9	-122.8	0	0	0	112.3	N140 C144 L147 D300 K302 A303 L306 H327	N140-Y329 PolarHBondContact OD1-OH 3.42Å; C144-Y329 HydrophobicContact CB-CE1 4.19Å; C144-Y329 HydrophobicContact CB-CE2 4.46Å; C144-Y329 PolarHBondContact SG-O 3.03Å; L147-Y329 HydrophobicContact CD2-CD1 3.99Å; L147-Y329 HydrophobicContact CD2-CE1 3.96Å; D300-Y329 HydrophobicContact CB-CE2 4.09Å; K302-Y329 HydrophobicContact CB-CD2 4Å; K302-Y329 HydrophobicContact CB-CG 4.37Å; A303-Y329 HydrophobicContact CB-CD1 4.16Å; A303-Y329 HydrophobicContact CB-CD2 3.88Å; A303-Y329 HydrophobicContact CB-CE1 3.84Å; A303-Y329 HydrophobicContact CB-CE2 3.56Å; A303-Y329 HydrophobicContact CB-CG 4.18Å; L306-Y329 HydrophobicContact CD2-CD1 4.2Å; H327-Y329 PolarHBondContact ND1-N 3.13Å; H327-Y329 PolarHBondContact O-N 2.83Å
330	L	98.5	Very high	97.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-105.4	7.9	-177.4	-58.1	-178.7	0	0	0	112.6	L147 L151 L306 A324 H327 Q332 Y333 Y334	L147-L330 HydrophobicContact CB-CD2 4.39Å; L147-L330 HydrophobicContact CD2-CD2 4.17Å; L147-L330 HydrophobicContact CG-CD2 4.37Å; L151-L330 HydrophobicContact CD1-CD1 3.49Å; L151-L330 VanDerWaalsContact CD1-CD1 3.49Å; L306-L330 HydrophobicContact CD2-CD1 4.35Å; L306-L330 HydrophobicContact CD2-CG 4.41Å; A324-L330 WeakPolarHBondContact O-CD1 3.47Å; H327-L330 PolarHBondContact O-N 3.48Å; L330-Q332 PolarHBondContact O-N 2.85Å; L330-Y333 PolarHBondContact O-N 2.65Å; L330-Y334 PolarHBondContact O-N 3.36Å
331	E	97.6	Very high	97.5	Very high	138 Å²	138	58.1 Å²	58.1	65%	0.645	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-33.2	-175.7	-177.6	178	-165	0	0	113.5	K302 Y333	K302-E331 IonicContact NZ-OE2 2.81Å; E331-Y333 VanDerWaalsContact C-N 3.29Å; E331-Y333 PolarHBondContact O-N 3.29Å
332	Q	97	Very high	97.3	Very high	118 Å²	118	58.6 Å²	58.6	55%	0.551	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.9	179.1	67.8	179.5	-17.4	0	0	114.8	C144 L330	C144-Q332 PolarHBondContact SG-NE2 3.41Å; L330-Q332 PolarHBondContact O-N 2.85Å
333	Y	97.3	Very high	96.9	Very high	67 Å²	67	63.3 Å²	63.3	26%	0.263	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-18.3	-178.2	-60.3	-60.2	0	0	0	113.1	C144 Y145 Y148 L330 E331 D335	C144-Y333 HydrophobicContact CB-CE2 4.18Å; Y145-Y333 HydrophobicContact CD2-CD1 4.22Å; Y145-Y333 AromaticContact CD2-CE1 3.74Å; Y145-Y333 HydrophobicContact CD2-CE1 3.74Å; Y145-Y333 HydrophobicContact CD2-CE2 4.11Å; Y145-Y333 AromaticContact CD2-CZ 3.7Å; Y145-Y333 HydrophobicContact CE2-CE1 4.31Å; Y148-Y333 HydrophobicContact CD1-CG 4.15Å; Y148-Y333 VanDerWaalsContact CD2-CB 3.46Å; Y148-Y333 HydrophobicContact CD2-CG 4.47Å; Y148-Y333 WeakPolarHBondContact CE2-O 3.45Å; Y148-Y333 VanDerWaalsContact CG-CB 3.47Å; Y148-Y333 HydrophobicContact CG-CD2 4.24Å; Y148-Y333 HydrophobicContact CG-CG 4.05Å; Y148-Y333 PolarHBondContact OH-O 2.94Å; L330-Y333 PolarHBondContact O-N 2.65Å; E331-Y333 VanDerWaalsContact C-N 3.29Å; E331-Y333 PolarHBondContact O-N 3.29Å; Y333-D335 PolarHBondContact O-N 3.4Å; Y333-D335 VanDerWaalsContact O-N 3.12Å
334	Y	97.1	Very high	96.4	Very high	95 Å²	95	64 Å²	64	37%	0.373	35%	0.346	S	S	.	.			trans	-62.8	114	-176.7	178.8	-118.1	0	0	0	111.2	L325 A326 L330 P336 E339	L325-Y334 VanDerWaalsContact C-CD2 3.41Å; L325-Y334 HydrophobicContact CB-CD2 3.94Å; L325-Y334 HydrophobicContact CB-CE2 4.02Å; L325-Y334 WeakPolarHBondContact O-CD2 3.28Å; A326-Y334 HydrophobicContact CB-CE1 4.07Å; A326-Y334 HydrophobicContact CB-CE2 3.98Å; L330-Y334 PolarHBondContact O-N 3.36Å; Y334-P336 HydrophobicContact CE1-CG 3.82Å; Y334-P336 HydrophobicContact CE2-CG 3.79Å; Y334-P336 VanDerWaalsContact OH-CG 3.31Å; Y334-P336 WeakPolarHBondContact OH-CG 3.35Å; Y334-E339 WeakPolarHBondContact CD2-OE1 3.35Å
335	D	97	Very high	96	Very high	78 Å²	78	67.1 Å²	67.1	42%	0.417	37%	0.366	S	S	.	.			trans	-145.2	97.1	174.9	-177.2	-3.6	0	0	0	108.8	Y333 A337 D338 E339	Y333-D335 PolarHBondContact O-N 3.4Å; Y333-D335 VanDerWaalsContact O-N 3.12Å; D335-A337 PolarHBondContact O-N 2.9Å; D335-A337 WeakPolarHBondContact OD1-CB 3.45Å; D335-A337 PolarHBondContact OD1-N 3.21Å; D335-D338 HydrophobicContact CB-CB 4.26Å; D335-D338 CarbonylContact O-C 3.51Å; D335-D338 PolarHBondContact O-N 3.08Å; D335-E339 PolarHBondContact N-OE1 2.72Å; D335-E339 WeakPolarHBondContact O-CG 3.39Å; D335-E339 PolarHBondContact O-N 3.22Å
336	P	94.8	Very high	95.5	Very high	69 Å²	69	67.6 Å²	67.6	45%	0.448	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-54.7	-26.2	179.4	-30.4	37.9	0	0	0	114.9	Y334	Y334-P336 HydrophobicContact CE1-CG 3.82Å; Y334-P336 HydrophobicContact CE2-CG 3.79Å; Y334-P336 VanDerWaalsContact OH-CG 3.31Å; Y334-P336 WeakPolarHBondContact OH-CG 3.35Å
337	A	95.4	Very high	94.8	Very high	95 Å²	95	71.3 Å²	71.3	79%	0.785	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-76.2	-29	179.2	0	0	0	0	0	112.4	D335	D335-A337 PolarHBondContact O-N 2.9Å; D335-A337 WeakPolarHBondContact OD1-CB 3.45Å; D335-A337 PolarHBondContact OD1-N 3.21Å
338	D	96.3	Very high	93.5	Very high	85 Å²	85	75.9 Å²	75.9	46%	0.455	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-98.5	17.4	174.2	-170.8	31.9	0	0	0	112.5	R152 D335 P340	R152-D338 PolarHBondContact NE-O 3.42Å; R152-D338 PolarHBondContact NH2-O 2.92Å; R152-D338 IonicContact NH2-OD1 3.62Å; R152-D338 PolarHBondContact NH2-OD1 3.37Å; R152-D338 IonicContact NH2-OD2 3.29Å; D335-D338 HydrophobicContact CB-CB 4.26Å; D335-D338 CarbonylContact O-C 3.51Å; D335-D338 PolarHBondContact O-N 3.08Å; D338-P340 VanDerWaalsContact O-CD 3.28Å; D338-P340 WeakPolarHBondContact O-CD 3.36Å
339	E	96.5	Very high	92.2	Very high	5 Å²	5	80.4 Å²	80.4	2%	0.023	41%	0.41	C	S	.	.	S	Bend	trans	-119.4	76.1	177.2	-71.6	167.7	-168.5	0	0	109.9	R152 K155 Y334 D335	R152-E339 HydrophobicContact CG-CG 4.22Å; K155-E339 HydrophobicContact CD-CB 3.93Å; K155-E339 WeakPolarHBondContact CE-O 3.21Å; K155-E339 PolarHBondContact NZ-O 2.99Å; K155-E339 IonicContact NZ-OE2 2.89Å; K155-E339 PolarHBondContact NZ-OE2 3.43Å; Y334-E339 WeakPolarHBondContact CD2-OE1 3.35Å; D335-E339 PolarHBondContact N-OE1 2.72Å; D335-E339 WeakPolarHBondContact O-CG 3.39Å; D335-E339 PolarHBondContact O-N 3.22Å
340	P	97	Very high	91	Very high	56 Å²	56	82.5 Å²	82.5	36%	0.364	42%	0.422	S	S	.	.			trans	-65.8	155.5	-170.4	28	-36.4	0	0	0	112.5	D338	D338-P340 VanDerWaalsContact O-CD 3.28Å; D338-P340 WeakPolarHBondContact O-CD 3.36Å
341	V	96.5	Very high	89.8	Confident	80 Å²	80	84.2 Å²	84.2	49%	0.485	43%	0.429	S	S	.	.			trans	-112.4	149.6	173.3	-66.9	0	0	0	0	109.7	S159 E343	S159-V341 WeakPolarHBondContact OG-CA 3.46Å; S159-V341 WeakPolarHBondContact OG-CB 3.28Å; V341-E343 PolarHBondContact O-N 3.47Å
342	C	93.7	Very high	88.6	Confident	13 Å²	13	80.6 Å²	80.6	9%	0.088	41%	0.412	C	S	.	.			trans	-66.2	124.7	169.7	-170.2	0	0	0	0	110.8	Y156 S159 A160	Y156-C342 HydrophobicContact CD1-CB 4.3Å; Y156-C342 HydrophobicContact CD2-CB 4.44Å; Y156-C342 HydrophobicContact CE1-CB 3.93Å; Y156-C342 HydrophobicContact CE2-CB 4.09Å; S159-C342 PolarHBondContact OG-N 3.25Å; A160-C342 HydrophobicContact CB-CB 3.51Å
343	E	89.5	Confident	87.4	Confident	184 Å²	184	77.1 Å²	77.1	86%	0.86	40%	0.397	S	S	*	.	S	Bend	trans	-72.4	-27.5	-178.1	-62.7	-179.6	172.3	0	0	113.2	V341 P345	V341-E343 PolarHBondContact O-N 3.47Å; E343-P345 WeakPolarHBondContact O-CD 3.35Å
344	E	88.9	Confident	86.6	Confident	119 Å²	119	81.2 Å²	81.2	56%	0.556	42%	0.424	S	S	*	.	S	Bend	trans	-121.5	93.6	-177.2	-65.4	-164.8	165.8	0	0	112.1	R94	R94-E344 IonicContact CZ-OE2 3.73Å; R94-E344 IonicContact NH1-OE2 2.74Å; R94-E344 PolarHBondContact NH1-OE2 3.17Å; R94-E344 VanDerWaalsContact NH1-OE2 3.14Å; R94-E344 PolarHBondContact NH2-O 3.03Å; R94-E344 IonicContact NH2-OE2 2.64Å; R94-E344 PolarHBondContact NH2-OE2 3.29Å
345	P	89.9	Confident	86.2	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	42%	0.42	S	S	.	.			trans	-58.9	145	176.1	-23.5	33.4	0	0	0	113.3	A160 N161 E343	A160-P345 WeakPolarHBondContact O-CA 3.47Å; N161-P345 HydrophobicContact CB-CB 4.12Å; E343-P345 WeakPolarHBondContact O-CD 3.35Å
346	F	88.4	Confident	86	Confident	10 Å²	10	78.6 Å²	78.6	4%	0.044	42%	0.419	C	S	.	.			trans	-71.6	141.5	171.4	-75.1	-101.6	0	0	0	110.5	I91 R94 F95 A160 V162 V190 M350	I91-F346 HydrophobicContact CB-CZ 4.43Å; I91-F346 HydrophobicContact CG1-CE1 4.16Å; I91-F346 HydrophobicContact CG1-CZ 4.19Å; R94-F346 HydrophobicContact CB-CE2 4.34Å; R94-F346 HydrophobicContact CB-CZ 3.87Å; R94-F346 VanDerWaalsContact CD-CZ 3.44Å; R94-F346 HydrophobicContact CG-CZ 4.2Å; F95-F346 HydrophobicContact CD1-CE2 4.15Å; F95-F346 HydrophobicContact CE1-CD2 4.26Å; F95-F346 AromaticContact CE1-CE2 3.53Å; F95-F346 HydrophobicContact CE1-CE2 3.53Å; F95-F346 HydrophobicContact CE1-CZ 4.42Å; F95-F346 HydrophobicContact CZ-CE2 4.2Å; A160-F346 HydrophobicContact CB-CD2 4.17Å; A160-F346 PolarHBondContact O-N 3.49Å; V162-F346 HydrophobicContact CG2-CB 4.03Å; V162-F346 HydrophobicContact CG2-CD2 3.47Å; V162-F346 VanDerWaalsContact CG2-CD2 3.47Å; V162-F346 HydrophobicContact CG2-CE2 4.1Å; V162-F346 HydrophobicContact CG2-CG 3.82Å; V190-F346 HydrophobicContact CG2-CB 3.79Å; F346-M350 HydrophobicContact CB-SD 4.45Å; F346-M350 HydrophobicContact CD1-SD 3.84Å; F346-M350 HydrophobicContact CG-SD 4.47Å
347	K	83.4	Confident	86	Confident	126 Å²	126	78.5 Å²	78.5	55%	0.548	41%	0.412	S	S	.	.			trans	-104.2	148.6	176.8	-61.7	-177.4	-179.6	-179	0	110.3	E349 M350	K347-E349 PolarHBondContact O-N 3.37Å; K347-M350 HydrophobicContact CB-CE 4.28Å; K347-M350 HydrophobicContact CB-CG 4.4Å; K347-M350 HydrophobicContact CG-CE 4.4Å; K347-M350 WeakPolarHBondContact O-CB 3.4Å; K347-M350 WeakPolarHBondContact O-CG 3.48Å; K347-M350 PolarHBondContact O-N 3.48Å
348	F	71.6	Confident	85.9	Confident	108 Å²	108	79.1 Å²	79.1	47%	0.474	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-58.9	-32.7	179.9	-170	-95	0	0	0	112.9	D192 M350 E351	D192-F348 HydrophobicContact CB-CD2 4.06Å; D192-F348 HydrophobicContact CB-CE2 4.1Å; D192-F348 VanDerWaalsContact OD2-CE2 3.25Å; D192-F348 WeakPolarHBondContact OD2-CE2 3.47Å; F348-M350 PolarHBondContact O-N 2.96Å; F348-E351 WeakPolarHBondContact O-CB 3.22Å; F348-E351 PolarHBondContact O-N 3.31Å
349	E	71.5	Confident	85.8	Confident	162 Å²	162	77.1 Å²	77.1	76%	0.757	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-55.3	-16	173.6	-61.3	157	172.1	0	0	113.7	K347 E351	K347-E349 PolarHBondContact O-N 3.37Å; E349-E351 VanDerWaalsContact C-N 3.35Å
350	M	72.2	Confident	85.7	Confident	58 Å²	58	76.9 Å²	76.9	29%	0.286	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-85.7	-5.5	177.7	-56.3	-177.9	179.6	0	0	113.6	K90 F346 K347 F348	K90-M350 PolarHBondContact NZ-O 3.13Å; F346-M350 HydrophobicContact CB-SD 4.45Å; F346-M350 HydrophobicContact CD1-SD 3.84Å; F346-M350 HydrophobicContact CG-SD 4.47Å; K347-M350 HydrophobicContact CB-CE 4.28Å; K347-M350 HydrophobicContact CB-CG 4.4Å; K347-M350 HydrophobicContact CG-CE 4.4Å; K347-M350 WeakPolarHBondContact O-CB 3.4Å; K347-M350 WeakPolarHBondContact O-CG 3.48Å; K347-M350 PolarHBondContact O-N 3.48Å; F348-M350 PolarHBondContact O-N 2.96Å
351	E	73.4	Confident	85.7	Confident	35 Å²	35	76.1 Å²	76.1	16%	0.164	38%	0.381	C	S	.	.			trans	-84.6	137.2	177.3	-60.7	-146.5	155	0	0	112.2	R189 V190 F348 E349	R189-E351 WeakPolarHBondContact CA-OE1 3.33Å; R189-E351 VanDerWaalsContact CD-CD 3.49Å; R189-E351 WeakPolarHBondContact CD-OE1 3.39Å; R189-E351 VanDerWaalsContact CD-OE2 3.26Å; R189-E351 WeakPolarHBondContact CD-OE2 3.32Å; R189-E351 IonicContact NE-OE2 2.89Å; V190-E351 HydrophobicContact CB-CG 4.43Å; V190-E351 HydrophobicContact CG2-CG 4.05Å; V190-E351 PolarHBondContact N-OE1 2.89Å; F348-E351 WeakPolarHBondContact O-CB 3.22Å; F348-E351 PolarHBondContact O-N 3.31Å; E349-E351 VanDerWaalsContact C-N 3.35Å
352	F	72.7	Confident	85.7	Confident	62 Å²	62	77.5 Å²	77.5	27%	0.272	38%	0.382	S	S	.	.			trans	-125.1	55.7	-174.6	-61.2	-65	0	0	0	111	Q83 L86 K90 D354 L355 L360 L363	Q83-F352 PolarHBondContact NE2-O 2.8Å; L86-F352 HydrophobicContact CD2-CD2 3.6Å; L86-F352 HydrophobicContact CD2-CE2 4.17Å; L86-F352 HydrophobicContact CD2-CG 4.4Å; K90-F352 HydrophobicContact CD-CE2 4.27Å; F352-D354 VanDerWaalsContact C-N 3.35Å; F352-D354 PolarHBondContact O-N 3.47Å; F352-L355 HydrophobicContact CB-CD1 3.89Å; F352-L355 HydrophobicContact CB-CG 4.25Å; F352-L355 HydrophobicContact CD1-CD1 3.58Å; F352-L355 HydrophobicContact CD1-CG 4.38Å; F352-L355 HydrophobicContact CE1-CD1 4.34Å; F352-L355 HydrophobicContact CG-CD1 3.96Å; F352-L360 HydrophobicContact CB-CD2 4.08Å; F352-L363 HydrophobicContact CD1-CD1 4.19Å; F352-L363 HydrophobicContact CD2-CD1 4.14Å; F352-L363 HydrophobicContact CE1-CD1 4.21Å; F352-L363 HydrophobicContact CE2-CD1 4.1Å; F352-L363 HydrophobicContact CG-CD1 4.15Å; F352-L363 HydrophobicContact CZ-CD1 4.16Å
353	D	72.4	Confident	85.7	Confident	46 Å²	46	78.8 Å²	78.8	25%	0.246	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15	-170.8	-83.2	9.4	0	0	0	113.7	Q83 R87 R189	Q83-D353 VanDerWaalsContact NE2-C 3.26Å; Q83-D353 PolarHBondContact NE2-O 3.44Å; R87-D353 IonicContact NH2-OD1 3.25Å; R87-D353 PolarHBondContact NH2-OD1 2.98Å; R189-D353 IonicContact CZ-OD1 3.42Å; R189-D353 IonicContact CZ-OD2 3.38Å; R189-D353 IonicContact NE-OD1 2.89Å; R189-D353 IonicContact NE-OD2 2.99Å; R189-D353 PolarHBondContact NE-OD2 3.46Å; R189-D353 IonicContact NH2-OD1 3.79Å; R189-D353 PolarHBondContact NH2-OD1 2.99Å; R189-D353 IonicContact NH2-OD2 3.66Å; R189-D353 PolarHBondContact NH2-OD2 3.05Å
354	D	81.2	Confident	86.1	Confident	153 Å²	153	70 Å²	70	82%	0.818	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	4.2	-176.9	-63.2	-43.6	0	0	0	115.1	F352	F352-D354 VanDerWaalsContact C-N 3.35Å; F352-D354 PolarHBondContact O-N 3.47Å
355	L	88.1	Confident	86.4	Confident	56 Å²	56	65.8 Å²	65.8	29%	0.293	33%	0.327	S	S	.	.			trans	-77.6	143.1	-179.1	-65.3	-174.4	0	0	0	112.7	Q79 F352 L360 L363	Q79-L355 WeakPolarHBondContact CG-O 3.36Å; Q79-L355 PolarHBondContact NE2-O 3.33Å; F352-L355 HydrophobicContact CB-CD1 3.89Å; F352-L355 HydrophobicContact CB-CG 4.25Å; F352-L355 HydrophobicContact CD1-CD1 3.58Å; F352-L355 HydrophobicContact CD1-CG 4.38Å; F352-L355 HydrophobicContact CE1-CD1 4.34Å; F352-L355 HydrophobicContact CG-CD1 3.96Å; L355-L360 HydrophobicContact CB-CD2 4.01Å; L355-L360 HydrophobicContact CB-CG 3.96Å; L355-L360 HydrophobicContact CD1-CD2 4.49Å; L355-L360 WeakPolarHBondContact O-CD1 3.38Å; L355-L363 HydrophobicContact CD1-CD1 3.41Å; L355-L363 VanDerWaalsContact CD1-CD1 3.41Å
356	P	93.4	Very high	86.7	Confident	62 Å²	62	68 Å²	68	40%	0.403	33%	0.331	S	S	.	.			trans	-66.7	158.4	174.3	29.4	-34.7	0	0	0	111.4	E358 S359 L360	P356-E358 PolarHBondContact O-N 3.38Å; P356-S359 PolarHBondContact O-N 3.32Å; P356-L360 WeakPolarHBondContact O-CG 3.39Å; P356-L360 PolarHBondContact O-N 3.37Å
357	K	93.3	Very high	87	Confident	67 Å²	67	68.7 Å²	68.7	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-30.8	-173.7	66.8	178.3	-176.5	170	0	113.3	Q79 L360 K361	Q79-K357 HydrophobicContact CB-CB 4.26Å; K357-L360 PolarHBondContact O-N 3.13Å; K357-K361 WeakPolarHBondContact O-CB 3.49Å; K357-K361 PolarHBondContact O-N 3.31Å
358	E	94.2	Very high	87.6	Confident	108 Å²	108	62.7 Å²	62.7	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-49.5	177.5	-65.8	72	-158.8	0	0	110.7	P356 L360 K361 E362	P356-E358 PolarHBondContact O-N 3.38Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.1Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 3.01Å; E358-K361 VanDerWaalsContact O-N 3.14Å; E358-E362 PolarHBondContact O-N 3.01Å; E358-E362 VanDerWaalsContact O-N 3.13Å
359	S	94.9	Very high	88.8	Confident	42 Å²	42	59.5 Å²	59.5	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-38.2	175	-56.5	0	0	0	0	112	P356 K361 E362 L363	P356-S359 PolarHBondContact O-N 3.32Å; S359-K361 VanDerWaalsContact C-N 3.29Å; S359-K361 PolarHBondContact O-N 2.99Å; S359-E362 PolarHBondContact O-N 3.21Å; S359-L363 WeakPolarHBondContact O-CG 3.28Å; S359-L363 PolarHBondContact O-N 3.32Å
360	L	94.6	Very high	89.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-35.8	174.4	-68.4	166.7	0	0	0	112	Q79 C82 Q83 L86 F352 L355 P356 K357 E358 L363 I364	Q79-L360 HydrophobicContact CG-CD1 3.81Å; C82-L360 HydrophobicContact CB-CB 3.63Å; C82-L360 HydrophobicContact CB-CD1 3.76Å; C82-L360 HydrophobicContact CB-CG 4.33Å; Q83-L360 HydrophobicContact CG-CD1 3.58Å; Q83-L360 HydrophobicContact CG-CD2 4.22Å; L86-L360 HydrophobicContact CD2-CD2 3.85Å; F352-L360 HydrophobicContact CB-CD2 4.08Å; L355-L360 HydrophobicContact CB-CD2 4.01Å; L355-L360 HydrophobicContact CB-CG 3.96Å; L355-L360 HydrophobicContact CD1-CD2 4.49Å; L355-L360 WeakPolarHBondContact O-CD1 3.38Å; P356-L360 WeakPolarHBondContact O-CG 3.39Å; P356-L360 PolarHBondContact O-N 3.37Å; K357-L360 PolarHBondContact O-N 3.13Å; E358-L360 VanDerWaalsContact C-N 3.33Å; E358-L360 PolarHBondContact O-N 3.1Å; L360-L363 PolarHBondContact O-N 3.34Å; L360-I364 WeakPolarHBondContact O-CD1 3.26Å; L360-I364 WeakPolarHBondContact O-CG1 3.16Å; L360-I364 PolarHBondContact O-N 3.47Å
361	K	96.3	Very high	90.9	Very high	41 Å²	41	54.2 Å²	54.2	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-42.5	175.9	-179.2	176.1	-172.6	-169.9	0	111.4	F76 V112 M115 K357 E358 S359 I364 F365	F76-K361 HydrophobicContact CB-CD 4.33Å; F76-K361 HydrophobicContact CD1-CB 3.79Å; F76-K361 HydrophobicContact CD1-CD 3.82Å; F76-K361 HydrophobicContact CD1-CG 3.53Å; F76-K361 HydrophobicContact CE1-CB 4.05Å; F76-K361 HydrophobicContact CE1-CD 4.26Å; F76-K361 HydrophobicContact CE1-CG 3.6Å; F76-K361 HydrophobicContact CG-CD 3.99Å; F76-K361 HydrophobicContact CG-CG 4.21Å; F76-K361 HydrophobicContact CZ-CG 4.31Å; V112-K361 HydrophobicContact CG1-CD 4.2Å; V112-K361 HydrophobicContact CG1-CG 4.04Å; V112-K361 WeakPolarHBondContact O-CE 3.35Å; V112-K361 PolarHBondContact O-NZ 3.06Å; M115-K361 HydrophobicContact CE-CG 3.75Å; M115-K361 WeakPolarHBondContact O-CE 3.4Å; M115-K361 PolarHBondContact O-NZ 3.38Å; K357-K361 WeakPolarHBondContact O-CB 3.49Å; K357-K361 PolarHBondContact O-N 3.31Å; E358-K361 WeakPolarHBondContact O-CB 3.4Å; E358-K361 PolarHBondContact O-N 3.01Å; E358-K361 VanDerWaalsContact O-N 3.14Å; S359-K361 VanDerWaalsContact C-N 3.29Å; S359-K361 PolarHBondContact O-N 2.99Å; K361-I364 PolarHBondContact O-N 3.3Å; K361-F365 PolarHBondContact O-N 3.48Å; K361-F365 VanDerWaalsContact O-N 3.07Å
362	E	96	Very high	91.9	Very high	108 Å²	108	54.8 Å²	54.8	51%	0.505	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-49	174.1	-68.9	173.3	175.2	0	0	111.2	V112 E358 S359 I364 F365 E366	V112-E362 HydrophobicContact CG1-CG 4.4Å; E358-E362 PolarHBondContact O-N 3.01Å; E358-E362 VanDerWaalsContact O-N 3.13Å; S359-E362 PolarHBondContact O-N 3.21Å; E362-I364 VanDerWaalsContact C-N 3.32Å; E362-I364 PolarHBondContact O-N 3.47Å; E362-F365 WeakPolarHBondContact O-CB 3.31Å; E362-F365 PolarHBondContact O-N 2.85Å; E362-E366 WeakPolarHBondContact O-CG 3.49Å; E362-E366 PolarHBondContact O-N 3Å
363	L	95	Very high	92.9	Very high	41 Å²	41	58.6 Å²	58.6	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-38	177.6	-70.8	174.6	0	0	0	113	L86 F352 L355 S359 L360 F365 E366 Q367	L86-L363 HydrophobicContact CD1-CB 4.22Å; L86-L363 HydrophobicContact CD2-CB 3.87Å; L86-L363 HydrophobicContact CD2-CD1 4.11Å; F352-L363 HydrophobicContact CD1-CD1 4.19Å; F352-L363 HydrophobicContact CD2-CD1 4.14Å; F352-L363 HydrophobicContact CE1-CD1 4.21Å; F352-L363 HydrophobicContact CE2-CD1 4.1Å; F352-L363 HydrophobicContact CG-CD1 4.15Å; F352-L363 HydrophobicContact CZ-CD1 4.16Å; L355-L363 HydrophobicContact CD1-CD1 3.41Å; L355-L363 VanDerWaalsContact CD1-CD1 3.41Å; S359-L363 WeakPolarHBondContact O-CG 3.28Å; S359-L363 PolarHBondContact O-N 3.32Å; L360-L363 PolarHBondContact O-N 3.34Å; L363-F365 VanDerWaalsContact C-N 3.34Å; L363-E366 PolarHBondContact O-N 3.08Å; L363-Q367 VanDerWaalsContact O-CB 3.3Å; L363-Q367 WeakPolarHBondContact O-CB 3.14Å; L363-Q367 PolarHBondContact O-N 2.89Å
364	I	95.9	Very high	93.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-44.5	174.3	-69.4	161.5	0	0	0	110.2	F76 C82 T85 L86 I89 I118 L360 K361 E362 Q367 I368	F76-I364 HydrophobicContact CE1-CD1 3.98Å; C82-I364 HydrophobicContact CB-CD1 4.18Å; T85-I364 HydrophobicContact CG2-CD1 4.4Å; L86-I364 HydrophobicContact CB-CD1 4.29Å; L86-I364 HydrophobicContact CB-CG1 3.67Å; L86-I364 HydrophobicContact CD1-CG1 3.93Å; L86-I364 HydrophobicContact CG-CG1 4.31Å; I89-I364 HydrophobicContact CD1-CG2 4.08Å; I118-I364 HydrophobicContact CD1-CG2 3.41Å; I118-I364 VanDerWaalsContact CD1-CG2 3.41Å; L360-I364 WeakPolarHBondContact O-CD1 3.26Å; L360-I364 WeakPolarHBondContact O-CG1 3.16Å; L360-I364 PolarHBondContact O-N 3.47Å; K361-I364 PolarHBondContact O-N 3.3Å; E362-I364 VanDerWaalsContact C-N 3.32Å; E362-I364 PolarHBondContact O-N 3.47Å; I364-Q367 PolarHBondContact O-N 2.77Å; I364-I368 HydrophobicContact CG2-CD1 3.74Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 VanDerWaalsContact O-CG1 3.22Å; I364-I368 WeakPolarHBondContact O-CG1 3.22Å; I364-I368 PolarHBondContact O-N 2.88Å
365	F	96.9	Very high	94	Very high	30 Å²	30	56.6 Å²	56.6	13%	0.132	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-44.8	178	-174.4	-94.9	0	0	0	112	S110 V112 M115 K361 E362 L363 I368 N369	S110-F365 WeakPolarHBondContact O-CZ 3.39Å; V112-F365 HydrophobicContact CG2-CB 3.83Å; V112-F365 HydrophobicContact CG2-CD1 3.51Å; V112-F365 HydrophobicContact CG2-CD2 3.83Å; V112-F365 HydrophobicContact CG2-CE1 3.92Å; V112-F365 HydrophobicContact CG2-CE2 4.21Å; V112-F365 HydrophobicContact CG2-CG 3.46Å; V112-F365 VanDerWaalsContact CG2-CG 3.46Å; V112-F365 HydrophobicContact CG2-CZ 4.26Å; M115-F365 HydrophobicContact CE-CB 3.85Å; M115-F365 HydrophobicContact CE-CD2 4.12Å; M115-F365 HydrophobicContact CE-CG 4.49Å; M115-F365 HydrophobicContact SD-CB 4.46Å; M115-F365 HydrophobicContact SD-CD2 3.96Å; K361-F365 PolarHBondContact O-N 3.48Å; K361-F365 VanDerWaalsContact O-N 3.07Å; E362-F365 WeakPolarHBondContact O-CB 3.31Å; E362-F365 PolarHBondContact O-N 2.85Å; L363-F365 VanDerWaalsContact C-N 3.34Å; F365-I368 PolarHBondContact O-N 3.16Å; F365-N369 VanDerWaalsContact CD1-ND2 3.27Å; F365-N369 WeakPolarHBondContact CD1-ND2 3.4Å; F365-N369 WeakPolarHBondContact CE1-ND2 3.39Å; F365-N369 PolarHBondContact O-N 2.84Å; F365-N369 PolarHBondContact O-ND2 3.23Å
366	E	95.7	Very high	93.9	Very high	112 Å²	112	60.1 Å²	60.1	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-46	175.9	-71.8	179.7	173.1	0	0	112	E362 L363 I368 N369 E370	E362-E366 WeakPolarHBondContact O-CG 3.49Å; E362-E366 PolarHBondContact O-N 3Å; L363-E366 PolarHBondContact O-N 3.08Å; E366-I368 VanDerWaalsContact C-N 3.33Å; E366-I368 PolarHBondContact O-N 3.08Å; E366-N369 WeakPolarHBondContact O-CB 3.46Å; E366-N369 PolarHBondContact O-N 3Å; E366-N369 VanDerWaalsContact O-N 3.14Å; E366-E370 PolarHBondContact O-N 3.37Å
367	Q	94.5	Very high	93.3	Very high	26 Å²	26	64.9 Å²	64.9	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-39.7	178.8	176.9	55.4	23	0	0	112.2	L86 I89 K90 L363 I364 N369 E370 F371	L86-Q367 HydrophobicContact CD1-CB 4.25Å; I89-Q367 HydrophobicContact CB-CG 4.46Å; I89-Q367 HydrophobicContact CG2-CG 3.58Å; K90-Q367 HydrophobicContact CG-CG 3.91Å; L363-Q367 VanDerWaalsContact O-CB 3.3Å; L363-Q367 WeakPolarHBondContact O-CB 3.14Å; L363-Q367 PolarHBondContact O-N 2.89Å; I364-Q367 PolarHBondContact O-N 2.77Å; Q367-N369 VanDerWaalsContact C-N 3.32Å; Q367-E370 PolarHBondContact O-N 3.28Å; Q367-F371 WeakPolarHBondContact O-CB 3.35Å; Q367-F371 PolarHBondContact O-N 3.01Å
368	I	96.5	Very high	92.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-40.3	175.4	-67.3	167.6	0	0	0	110.4	I89 I106 R108 I118 I364 F365 E366 F371 H372	I89-I368 HydrophobicContact CD1-CD1 4.22Å; I89-I368 HydrophobicContact CD1-CG1 4.14Å; I106-I368 HydrophobicContact CB-CG2 4.12Å; I106-I368 HydrophobicContact CD1-CG1 4.1Å; I106-I368 HydrophobicContact CG2-CD1 3.82Å; I106-I368 HydrophobicContact CG2-CG1 3.91Å; I106-I368 HydrophobicContact CG2-CG2 4.01Å; R108-I368 HydrophobicContact CG-CG2 4Å; I118-I368 HydrophobicContact CD1-CD1 4.18Å; I118-I368 HydrophobicContact CG1-CD1 4.25Å; I118-I368 HydrophobicContact CG2-CD1 4.1Å; I364-I368 HydrophobicContact CG2-CD1 3.74Å; I364-I368 HydrophobicContact CG2-CG1 4.41Å; I364-I368 VanDerWaalsContact O-CG1 3.22Å; I364-I368 WeakPolarHBondContact O-CG1 3.22Å; I364-I368 PolarHBondContact O-N 2.88Å; F365-I368 PolarHBondContact O-N 3.16Å; E366-I368 VanDerWaalsContact C-N 3.33Å; E366-I368 PolarHBondContact O-N 3.08Å; I368-F371 PolarHBondContact O-N 3.45Å; I368-H372 PolarHBondContact O-N 3.3Å
369	N	95.7	Very high	91.6	Very high	41 Å²	41	61.5 Å²	61.5	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-39.3	176.5	-67	-22.9	0	0	0	112.5	R108 F365 E366 Q367 H372 R373	R108-N369 VanDerWaalsContact CZ-OD1 3.26Å; R108-N369 PolarHBondContact NE-OD1 3.37Å; R108-N369 PolarHBondContact NH2-OD1 3.35Å; F365-N369 VanDerWaalsContact CD1-ND2 3.27Å; F365-N369 WeakPolarHBondContact CD1-ND2 3.4Å; F365-N369 WeakPolarHBondContact CE1-ND2 3.39Å; F365-N369 PolarHBondContact O-N 2.84Å; F365-N369 PolarHBondContact O-ND2 3.23Å; E366-N369 WeakPolarHBondContact O-CB 3.46Å; E366-N369 PolarHBondContact O-N 3Å; E366-N369 VanDerWaalsContact O-N 3.14Å; Q367-N369 VanDerWaalsContact C-N 3.32Å; N369-H372 PolarHBondContact O-N 3.17Å; N369-R373 WeakPolarHBondContact O-CB 3.46Å; N369-R373 VanDerWaalsContact O-CG 3.3Å; N369-R373 WeakPolarHBondContact O-CG 3.33Å; N369-R373 PolarHBondContact O-N 3.25Å; N369-R373 PolarHBondContact O-NE 3.37Å
370	E	93.8	Very high	89.9	Confident	87 Å²	87	64.6 Å²	64.6	41%	0.407	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-47.4	172.8	-174	174.8	171.3	0	0	111.5	E366 Q367 H372 R373 L374	E366-E370 PolarHBondContact O-N 3.37Å; Q367-E370 PolarHBondContact O-N 3.28Å; E370-H372 VanDerWaalsContact C-N 3.33Å; E370-H372 PolarHBondContact O-N 3.37Å; E370-R373 PolarHBondContact O-N 3.35Å; E370-R373 VanDerWaalsContact O-N 3.15Å; E370-L374 HydrophobicContact CG-CD1 4.12Å; E370-L374 HydrophobicContact CG-CG 4.44Å; E370-L374 WeakPolarHBondContact O-CG 3.27Å; E370-L374 PolarHBondContact O-N 3.11Å
371	F	94	Very high	88.1	Confident	22 Å²	22	67.8 Å²	67.8	10%	0.096	33%	0.326	C	S	.	.	H	α-helix	trans	-55.2	-46.8	175.1	171.6	-99.1	0	0	0	112.1	S93 I103 I106 Q367 I368 L374 K375	S93-F371 WeakPolarHBondContact OG-CD2 3.44Å; I103-F371 HydrophobicContact CB-CE2 4.39Å; I103-F371 HydrophobicContact CB-CZ 4.37Å; I103-F371 HydrophobicContact CG2-CE1 4.07Å; I103-F371 HydrophobicContact CG2-CE2 4.02Å; I103-F371 HydrophobicContact CG2-CZ 3.61Å; I106-F371 HydrophobicContact CD1-CD1 3.98Å; I106-F371 HydrophobicContact CD1-CE1 4.37Å; I106-F371 HydrophobicContact CD1-CG 4.31Å; I106-F371 HydrophobicContact CG1-CD1 4.06Å; I106-F371 HydrophobicContact CG1-CE1 4.03Å; Q367-F371 WeakPolarHBondContact O-CB 3.35Å; Q367-F371 PolarHBondContact O-N 3.01Å; I368-F371 PolarHBondContact O-N 3.45Å; F371-L374 PolarHBondContact O-N 2.91Å; F371-K375 HydrophobicContact CE1-CD 4.33Å; F371-K375 HydrophobicContact CZ-CD 4.27Å; F371-K375 WeakPolarHBondContact O-CB 3.5Å; F371-K375 PolarHBondContact O-N 2.97Å
372	H	94.5	Very high	86.3	Confident	46 Å²	46	69.1 Å²	69.1	21%	0.213	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-41.9	176.5	-69	163.9	0	0	0	112.8	D105 I106 I368 N369 E370 K375 Q376	D105-H372 IonicContact OD1-CD2 3.7Å; D105-H372 IonicContact OD1-NE2 3.84Å; I106-H372 PolarHBondContact O-CE1 3.49Å; I106-H372 PolarHBondContact O-NE2 2.96Å; I368-H372 PolarHBondContact O-N 3.3Å; N369-H372 PolarHBondContact O-N 3.17Å; E370-H372 VanDerWaalsContact C-N 3.33Å; E370-H372 PolarHBondContact O-N 3.37Å; H372-K375 PolarHBondContact O-N 3.43Å; H372-Q376 WeakPolarHBondContact O-CG 3.25Å; H372-Q376 PolarHBondContact O-N 3.5Å; H372-Q376 VanDerWaalsContact O-N 3.08Å
373	R	93.3	Very high	84.1	Confident	143 Å²	143	70.1 Å²	70.1	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-44	177.3	-76.9	-176.1	-65.5	160	1.1	112.2	N369 E370 R377	N369-R373 WeakPolarHBondContact O-CB 3.46Å; N369-R373 VanDerWaalsContact O-CG 3.3Å; N369-R373 WeakPolarHBondContact O-CG 3.33Å; N369-R373 PolarHBondContact O-N 3.25Å; N369-R373 PolarHBondContact O-NE 3.37Å; E370-R373 PolarHBondContact O-N 3.35Å; E370-R373 VanDerWaalsContact O-N 3.15Å; R373-R377 WeakPolarHBondContact O-CG 3.43Å; R373-R377 PolarHBondContact O-N 3.44Å
374	L	89.8	Confident	82	Confident	80 Å²	80	71.2 Å²	71.2	42%	0.419	36%	0.361	S	S	.	.	H	α-helix	trans	-66.5	-42.1	178.4	-68.8	174.6	0	0	0	111.5	E370 F371 Q376 R377 D378	E370-L374 HydrophobicContact CG-CD1 4.12Å; E370-L374 HydrophobicContact CG-CG 4.44Å; E370-L374 WeakPolarHBondContact O-CG 3.27Å; E370-L374 PolarHBondContact O-N 3.11Å; F371-L374 PolarHBondContact O-N 2.91Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-Q376 PolarHBondContact O-N 3.08Å; L374-R377 WeakPolarHBondContact O-CB 3.48Å; L374-R377 PolarHBondContact O-N 3.32Å; L374-D378 PolarHBondContact O-N 2.9Å
375	K	87.8	Confident	80.1	Confident	77 Å²	77	78.8 Å²	78.8	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-63.5	-37	178.3	-171.2	-178.5	173	-168.2	0	113	Q104 D105 F371 H372 G379	Q104-K375 VanDerWaalsContact O-CE 3.28Å; Q104-K375 WeakPolarHBondContact O-CE 3.11Å; Q104-K375 PolarHBondContact O-NZ 3.03Å; D105-K375 IonicContact OD1-NZ 2.76Å; D105-K375 IonicContact OD2-NZ 3.79Å; D105-K375 PolarHBondContact OD2-NZ 3.15Å; F371-K375 HydrophobicContact CE1-CD 4.33Å; F371-K375 HydrophobicContact CZ-CD 4.27Å; F371-K375 WeakPolarHBondContact O-CB 3.5Å; F371-K375 PolarHBondContact O-N 2.97Å; H372-K375 PolarHBondContact O-N 3.43Å; K375-G379 PolarHBondContact O-N 2.72Å
376	Q	85.5	Confident	77.9	Confident	130 Å²	130	82.1 Å²	82.1	61%	0.607	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-43.3	173.8	-74.2	172.9	-1.6	0	0	111.4	H372 L374 D378 G379 D380	H372-Q376 WeakPolarHBondContact O-CG 3.25Å; H372-Q376 PolarHBondContact O-N 3.5Å; H372-Q376 VanDerWaalsContact O-N 3.08Å; L374-Q376 VanDerWaalsContact C-N 3.33Å; L374-Q376 PolarHBondContact O-N 3.08Å; Q376-D378 PolarHBondContact O-N 3.16Å; Q376-G379 PolarHBondContact O-N 3.18Å; Q376-D380 VanDerWaalsContact O-CG 3.32Å; Q376-D380 PolarHBondContact O-N 3.26Å
377	R	82	Confident	75.4	Confident	161 Å²	161	83.7 Å²	83.7	61%	0.608	45%	0.45	S	S	*	.	H	α-helix	trans	-62.7	-41.9	177.3	-70.9	175.8	176.9	-177.3	-2	113.2	R373 L374 G379 S381	R373-R377 WeakPolarHBondContact O-CG 3.43Å; R373-R377 PolarHBondContact O-N 3.44Å; L374-R377 WeakPolarHBondContact O-CB 3.48Å; L374-R377 PolarHBondContact O-N 3.32Å; R377-G379 VanDerWaalsContact C-N 3.35Å; R377-S381 WeakPolarHBondContact O-CB 3.35Å; R377-S381 PolarHBondContact O-N 3.19Å; R377-S381 PolarHBondContact O-OG 2.95Å
378	D	77.6	Confident	74.5	Confident	77 Å²	77	86.6 Å²	86.6	41%	0.412	47%	0.467	S	S	.	.	H	α-helix	trans	-66.3	-39.3	176.7	-75.4	-0.1	0	0	0	110.9	R96 L374 Q376 S382	R96-D378 IonicContact CZ-OD2 2.75Å; R96-D378 IonicContact NH1-OD2 2.73Å; R96-D378 IonicContact NH2-OD2 2.88Å; R96-D378 PolarHBondContact NH2-OD2 3.06Å; L374-D378 PolarHBondContact O-N 2.9Å; Q376-D378 PolarHBondContact O-N 3.16Å; D378-S382 WeakPolarHBondContact O-CB 3.13Å; D378-S382 PolarHBondContact O-N 3.27Å; D378-S382 PolarHBondContact O-OG 3.49Å
379	G	72.5	Confident	73.3	Confident	27 Å²	27	91.1 Å²	91.1	28%	0.278	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-49.6	174.7	0	0	0	0	0	112.9	K375 Q376 R377 S381 S382 Q383	K375-G379 PolarHBondContact O-N 2.72Å; Q376-G379 PolarHBondContact O-N 3.18Å; R377-G379 VanDerWaalsContact C-N 3.35Å; G379-S381 VanDerWaalsContact C-N 3.32Å; G379-S381 PolarHBondContact O-N 3.48Å; G379-S382 PolarHBondContact O-N 2.82Å; G379-S382 PolarHBondContact O-OG 2.64Å; G379-Q383 PolarHBondContact O-N 2.74Å
380	D	59.3	Low	72.1	Confident	107 Å²	107	93.9 Å²	93.9	57%	0.572	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-37.3	179.7	-67.5	-16	0	0	0	111.7	Q376 Q383 A384	Q376-D380 VanDerWaalsContact O-CG 3.32Å; Q376-D380 PolarHBondContact O-N 3.26Å; D380-Q383 PolarHBondContact O-N 3.08Å; D380-A384 WeakPolarHBondContact O-CB 3.23Å; D380-A384 PolarHBondContact O-N 3.19Å
381	S	58.3	Low	70.8	Confident	67 Å²	67	94.3 Å²	94.3	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-37.9	177.3	-59.1	0	0	0	0	111.9	R377 G379 Q383 A384 L385	R377-S381 WeakPolarHBondContact O-CB 3.35Å; R377-S381 PolarHBondContact O-N 3.19Å; R377-S381 PolarHBondContact O-OG 2.95Å; G379-S381 VanDerWaalsContact C-N 3.32Å; G379-S381 PolarHBondContact O-N 3.48Å; S381-Q383 VanDerWaalsContact C-N 3.35Å; S381-A384 PolarHBondContact O-N 3.34Å; S381-L385 WeakPolarHBondContact O-CG 3.47Å; S381-L385 PolarHBondContact O-N 3.39Å; S381-L385 VanDerWaalsContact O-N 3.12Å
382	S	57.5	Low	69.4	Low	70 Å²	70	98.8 Å²	98.8	49%	0.49	54%	0.538	S	S	.	.	H	α-helix	trans	-67.1	-35.2	174.6	71.4	0	0	0	0	112.6	D378 G379 S386	D378-S382 WeakPolarHBondContact O-CB 3.13Å; D378-S382 PolarHBondContact O-N 3.27Å; D378-S382 PolarHBondContact O-OG 3.49Å; G379-S382 PolarHBondContact O-N 2.82Å; G379-S382 PolarHBondContact O-OG 2.64Å; S382-S386 WeakPolarHBondContact O-CB 3.14Å; S382-S386 PolarHBondContact O-N 2.87Å; S382-S386 PolarHBondContact O-OG 2.8Å
383	Q	50.5	Low	67.7	Low	129 Å²	129	102.3 Å²	102.3	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-70.8	-43	175.3	-72.5	-176.6	7.5	0	0	111.5	G379 D380 S381 L385 S386 S387	G379-Q383 PolarHBondContact O-N 2.74Å; D380-Q383 PolarHBondContact O-N 3.08Å; S381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.28Å; Q383-S386 WeakPolarHBondContact CA-OG 3.5Å; Q383-S386 PolarHBondContact O-N 3.47Å; Q383-S386 PolarHBondContact O-OG 3.01Å; Q383-S387 PolarHBondContact O-N 3.49Å; Q383-S387 VanDerWaalsContact O-N 3.1Å; Q383-S387 PolarHBondContact O-OG 3.39Å
384	A	50.9	Low	65.9	Low	64 Å²	64	99.4 Å²	99.4	53%	0.529	56%	0.562	S	S	.	*	H	α-helix	trans	-65.9	-26.6	178.4	0	0	0	0	0	114	D380 S381 S387	D380-A384 WeakPolarHBondContact O-CB 3.23Å; D380-A384 PolarHBondContact O-N 3.19Å; S381-A384 PolarHBondContact O-N 3.34Å; A384-S387 PolarHBondContact O-OG 2.94Å
385	L	54.8	Low	64	Low	158 Å²	158	100.9 Å²	100.9	83%	0.827	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-14.1	173.2	-73.6	164.7	0	0	0	113.1	S381 Q383	S381-L385 WeakPolarHBondContact O-CG 3.47Å; S381-L385 PolarHBondContact O-N 3.39Å; S381-L385 VanDerWaalsContact O-N 3.12Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.28Å
386	S	51	Low	62	Low	100 Å²	100	102.9 Å²	102.9	70%	0.699	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-8.2	178.9	72.3	0	0	0	0	114.2	S382 Q383	S382-S386 WeakPolarHBondContact O-CB 3.14Å; S382-S386 PolarHBondContact O-N 2.87Å; S382-S386 PolarHBondContact O-OG 2.8Å; Q383-S386 WeakPolarHBondContact CA-OG 3.5Å; Q383-S386 PolarHBondContact O-N 3.47Å; Q383-S386 PolarHBondContact O-OG 3.01Å
387	S	44.7	Very low	59.9	Low	145 Å²	145	100.5 Å²	100.5	100%	1.014	59%	0.591	S	S	*	*			trans	-100	0	173.2	61.9	0	0	0	0	110.9	Q383 A384	Q383-S387 PolarHBondContact O-N 3.49Å; Q383-S387 VanDerWaalsContact O-N 3.1Å; Q383-S387 PolarHBondContact O-OG 3.39Å; A384-S387 PolarHBondContact O-OG 2.94Å

Retrieved 387 of 387 residues in 193.4 ms (Link to these results)

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