A0A5K4FC93_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4FC93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 636 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	34.1	Very low	171 Å²	171	90.5 Å²	90.5	84%	0.842	50%	0.495	S	S	*	.				0	-156	0	-72	71.6	85.8	0	0	108.1	T5	M1-T5 HydrophobicContact CB-CG2 3.84Å; M1-T5 WeakPolarHBondContact CB-OG1 3.47Å; M1-T5 HydrophobicContact CE-CG2 4.47Å; M1-T5 HydrophobicContact CG-CG2 4.27Å
2	S	28.6	Very low	34.7	Very low	69 Å²	69	91.1 Å²	91.1	48%	0.483	49%	0.492	S	S	.	.			trans	-71	173.4	163.7	53.8	0	0	0	0	110.8	D4 T5	S2-D4 WeakPolarHBondContact CB-OD2 3.27Å; S2-D4 PolarHBondContact O-N 3.44Å; S2-D4 PolarHBondContact OG-OD2 3.25Å; S2-T5 PolarHBondContact O-OG1 3.45Å
3	T	32.4	Very low	35.2	Very low	105 Å²	105	87.2 Å²	87.2	64%	0.644	47%	0.471	S	S	*	.	H	α-helix	trans	-56.9	-25.9	175.4	35	0	0	0	0	113.7	T5 W6 I7	T3-T5 PolarHBondContact O-N 2.98Å; T3-W6 WeakPolarHBondContact O-CB 3.47Å; T3-W6 PolarHBondContact O-N 3.41Å; T3-W6 VanDerWaalsContact O-N 3.17Å; T3-I7 PolarHBondContact O-N 3.48Å
4	D	28.4	Very low	35.6	Very low	96 Å²	96	86.6 Å²	86.6	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-73.3	-32	-165	-30.4	-50	0	0	0	111.4	S2 W6 I7 S8	S2-D4 WeakPolarHBondContact CB-OD2 3.27Å; S2-D4 PolarHBondContact O-N 3.44Å; S2-D4 PolarHBondContact OG-OD2 3.25Å; D4-W6 VanDerWaalsContact C-N 3.34Å; D4-I7 PolarHBondContact O-N 3.32Å; D4-S8 WeakPolarHBondContact O-CB 3.21Å; D4-S8 PolarHBondContact O-N 2.83Å
5	T	35.6	Very low	36.2	Very low	57 Å²	57	89.8 Å²	89.8	35%	0.35	48%	0.477	S	S	.	.	H	α-helix	trans	-68.8	-33	173.5	58.4	0	0	0	0	112.4	M1 S2 T3 S9	M1-T5 HydrophobicContact CB-CG2 3.84Å; M1-T5 WeakPolarHBondContact CB-OG1 3.47Å; M1-T5 HydrophobicContact CE-CG2 4.47Å; M1-T5 HydrophobicContact CG-CG2 4.27Å; S2-T5 PolarHBondContact O-OG1 3.45Å; T3-T5 PolarHBondContact O-N 2.98Å; T5-S9 PolarHBondContact O-N 3.38Å; T5-S9 VanDerWaalsContact O-N 3.1Å
6	W	32.3	Very low	36.5	Very low	150 Å²	150	85.8 Å²	85.8	57%	0.568	46%	0.456	S	S	*	.	H	α-helix	trans	-68.8	-45	176.9	-175.2	81.3	0	0	0	110.5	T3 D4 H10 F46	T3-W6 WeakPolarHBondContact O-CB 3.47Å; T3-W6 PolarHBondContact O-N 3.41Å; T3-W6 VanDerWaalsContact O-N 3.17Å; D4-W6 VanDerWaalsContact C-N 3.34Å; W6-H10 AromaticContact CH2-CD2 3.91Å; W6-H10 AromaticContact CZ2-CD2 3.82Å; W6-H10 VanDerWaalsContact O-CB 3.25Å; W6-H10 WeakPolarHBondContact O-CB 3.41Å; W6-H10 PolarHBondContact O-N 2.84Å; W6-F46 AromaticContact CD1-CZ 3.97Å
7	I	33.5	Very low	36.8	Very low	95 Å²	95	85.1 Å²	85.1	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-46.2	174.6	-62.7	171.1	0	0	0	110.5	T3 D4 H10 C11	T3-I7 PolarHBondContact O-N 3.48Å; D4-I7 PolarHBondContact O-N 3.32Å; I7-H10 PolarHBondContact O-N 3.42Å; I7-C11 WeakPolarHBondContact O-CB 3.21Å; I7-C11 PolarHBondContact O-N 3Å; I7-C11 PolarHBondContact O-SG 3.24Å
8	S	37.5	Very low	37	Very low	67 Å²	67	87.3 Å²	87.3	47%	0.469	48%	0.476	S	S	.	.	H	α-helix	trans	-60.4	-49.8	-178.7	-163.4	0	0	0	0	112.4	D4 C11 E12	D4-S8 WeakPolarHBondContact O-CB 3.21Å; D4-S8 PolarHBondContact O-N 2.83Å; S8-C11 WeakPolarHBondContact O-CB 3.46Å; S8-C11 PolarHBondContact O-N 3.47Å; S8-E12 WeakPolarHBondContact O-CG 3.29Å; S8-E12 PolarHBondContact O-N 3.05Å
9	S	37.8	Very low	37	Very low	30 Å²	30	89.9 Å²	89.9	21%	0.21	49%	0.487	C	S	.	.	H	α-helix	trans	-72.8	-28.4	179.5	-65.5	0	0	0	0	113.3	T5 C11 E12 L13	T5-S9 PolarHBondContact O-N 3.38Å; T5-S9 VanDerWaalsContact O-N 3.1Å; S9-C11 VanDerWaalsContact C-N 3.34Å; S9-E12 PolarHBondContact O-N 3.2Å; S9-E12 PolarHBondContact OG-OE2 3.4Å; S9-L13 WeakPolarHBondContact O-CG 3.39Å; S9-L13 PolarHBondContact O-N 3.13Å
10	H	38.7	Very low	37	Very low	79 Å²	79	90.8 Å²	90.8	37%	0.366	50%	0.499	S	S	.	.	H	α-helix	trans	-70.2	-33.5	171.6	-159.3	-28.1	0	0	0	111.7	W6 I7 N14	W6-H10 AromaticContact CH2-CD2 3.91Å; W6-H10 AromaticContact CZ2-CD2 3.82Å; W6-H10 VanDerWaalsContact O-CB 3.25Å; W6-H10 WeakPolarHBondContact O-CB 3.41Å; W6-H10 PolarHBondContact O-N 2.84Å; I7-H10 PolarHBondContact O-N 3.42Å; H10-N14 PolarHBondContact ND1-ND2 2.61Å; H10-N14 PolarHBondContact ND1-OD1 3.04Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 3.35Å; H10-N14 VanDerWaalsContact O-N 3.09Å; H10-N14 PolarHBondContact O-ND2 3.49Å; H10-N14 PolarHBondContact O-OD1 3.21Å
11	C	39.4	Very low	36.8	Very low	76 Å²	76	91.8 Å²	91.8	51%	0.514	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-46.9	168.2	-80	0	0	0	0	111.7	I7 S8 S9 L13 N14 H15	I7-C11 WeakPolarHBondContact O-CB 3.21Å; I7-C11 PolarHBondContact O-N 3Å; I7-C11 PolarHBondContact O-SG 3.24Å; S8-C11 WeakPolarHBondContact O-CB 3.46Å; S8-C11 PolarHBondContact O-N 3.47Å; S9-C11 VanDerWaalsContact C-N 3.34Å; C11-L13 PolarHBondContact O-N 2.91Å; C11-N14 PolarHBondContact O-N 3.37Å; C11-H15 VanDerWaalsContact O-CB 3.3Å; C11-H15 WeakPolarHBondContact O-CB 3.21Å; C11-H15 PolarHBondContact O-N 2.84Å
12	E	40.3	Very low	36.8	Very low	98 Å²	98	88.7 Å²	88.7	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-57	-45.7	176.4	-71.7	175.7	137.5	0	0	112.2	S8 S9 H15 L16	S8-E12 WeakPolarHBondContact O-CG 3.29Å; S8-E12 PolarHBondContact O-N 3.05Å; S9-E12 PolarHBondContact O-N 3.2Å; S9-E12 PolarHBondContact OG-OE2 3.4Å; E12-H15 PolarHBondContact O-N 2.22Å; E12-L16 WeakPolarHBondContact O-CG 3.12Å; E12-L16 PolarHBondContact O-N 2.78Å
13	L	41.2	Very low	36.8	Very low	41 Å²	41	90.7 Å²	90.7	22%	0.215	52%	0.519	C	S	.	.	H	α-helix	trans	-61.8	-43.8	176.9	-73.5	168	0	0	0	112.4	S9 C11 H15 A17 F39 V42	S9-L13 WeakPolarHBondContact O-CG 3.39Å; S9-L13 PolarHBondContact O-N 3.13Å; C11-L13 PolarHBondContact O-N 2.91Å; L13-H15 VanDerWaalsContact C-N 3.33Å; L13-A17 WeakPolarHBondContact O-CB 3.5Å; L13-A17 PolarHBondContact O-N 2.82Å; L13-F39 HydrophobicContact CD2-CD2 4.06Å; L13-F39 HydrophobicContact CD2-CE2 3.79Å; L13-V42 HydrophobicContact CD2-CB 4.46Å; L13-V42 HydrophobicContact CD2-CG1 3.74Å; L13-V42 HydrophobicContact CG-CG1 4.01Å
14	N	41.1	Very low	36.7	Very low	79 Å²	79	91.4 Å²	91.4	42%	0.422	53%	0.529	S	S	.	.	H	α-helix	trans	-67.1	-34.5	175.2	-69.6	-8	0	0	0	111.9	H10 C11 A17 N18	H10-N14 PolarHBondContact ND1-ND2 2.61Å; H10-N14 PolarHBondContact ND1-OD1 3.04Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 3.35Å; H10-N14 VanDerWaalsContact O-N 3.09Å; H10-N14 PolarHBondContact O-ND2 3.49Å; H10-N14 PolarHBondContact O-OD1 3.21Å; C11-N14 PolarHBondContact O-N 3.37Å; N14-A17 PolarHBondContact O-N 3.18Å; N14-N18 WeakPolarHBondContact O-CB 3.2Å; N14-N18 VanDerWaalsContact O-CG 3.25Å; N14-N18 PolarHBondContact O-N 3.41Å; N14-N18 PolarHBondContact O-ND2 3.3Å
15	H	45.5	Very low	36.9	Very low	134 Å²	134	92.1 Å²	92.1	62%	0.62	54%	0.537	S	S	*	.	H	α-helix	trans	-73	-33.4	-179	-147.2	-40	0	0	0	112.2	C11 E12 L13 M19	C11-H15 VanDerWaalsContact O-CB 3.3Å; C11-H15 WeakPolarHBondContact O-CB 3.21Å; C11-H15 PolarHBondContact O-N 2.84Å; E12-H15 PolarHBondContact O-N 2.22Å; L13-H15 VanDerWaalsContact C-N 3.33Å; H15-M19 VanDerWaalsContact O-CG 3.31Å; H15-M19 WeakPolarHBondContact O-CG 3.49Å
16	L	41	Very low	36.6	Very low	26 Å²	26	95.2 Å²	95.2	14%	0.136	56%	0.561	C	S	.	*	H	α-helix	trans	-66.5	-49.4	168.3	-74.9	168.2	0	0	0	111	E12 N18 M19 F35 V42	E12-L16 WeakPolarHBondContact O-CG 3.12Å; E12-L16 PolarHBondContact O-N 2.78Å; L16-N18 PolarHBondContact O-N 3.32Å; L16-M19 PolarHBondContact O-N 3.24Å; L16-M19 VanDerWaalsContact O-N 3.1Å; L16-F35 HydrophobicContact CB-CE2 4.03Å; L16-F35 WeakPolarHBondContact O-CE2 3.49Å; L16-V42 HydrophobicContact CD1-CG2 4.28Å
17	A	41.3	Very low	36.6	Very low	73 Å²	73	90.8 Å²	90.8	60%	0.603	55%	0.553	S	S	*	*	H	α-helix	trans	-59.9	-29.3	179.4	0	0	0	0	0	113.5	L13 N14	L13-A17 WeakPolarHBondContact O-CB 3.5Å; L13-A17 PolarHBondContact O-N 2.82Å; N14-A17 PolarHBondContact O-N 3.18Å
18	N	39.5	Very low	36.4	Very low	126 Å²	126	91.5 Å²	91.5	67%	0.674	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	8.3	178.8	-69.1	-19.3	0	0	0	114.4	N14 L16 S20	N14-N18 WeakPolarHBondContact O-CB 3.2Å; N14-N18 VanDerWaalsContact O-CG 3.25Å; N14-N18 PolarHBondContact O-N 3.41Å; N14-N18 PolarHBondContact O-ND2 3.3Å; L16-N18 PolarHBondContact O-N 3.32Å; N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 2.96Å
19	M	38.1	Very low	36.3	Very low	137 Å²	137	92.1 Å²	92.1	68%	0.675	57%	0.568	S	S	*	*			trans	-76.3	78.1	174.7	-71.8	-147.4	145.5	0	0	112.1	H15 L16	H15-M19 VanDerWaalsContact O-CG 3.31Å; H15-M19 WeakPolarHBondContact O-CG 3.49Å; L16-M19 PolarHBondContact O-N 3.24Å; L16-M19 VanDerWaalsContact O-N 3.1Å
20	S	35.7	Very low	36	Very low	106 Å²	106	95.9 Å²	95.9	74%	0.741	59%	0.585	S	S	*	*			trans	-58.3	132.2	163.9	-55.9	0	0	0	0	110.1	N18 S22	N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 2.96Å; S20-S22 PolarHBondContact O-N 3.2Å
21	P	34	Very low	35.7	Very low	113 Å²	113	97.1 Å²	97.1	73%	0.734	59%	0.594	S	S	*	*			trans	-69.8	106.5	179.8	27.5	-33.5	0	0	0	110.4	S23	P21-S23 PolarHBondContact O-N 2.84Å
22	S	31.4	Very low	35.7	Very low	106 Å²	106	96.6 Å²	96.6	74%	0.741	59%	0.586	S	S	*	*			trans	-57.6	132.6	166.4	55.1	0	0	0	0	109.6	S20	S20-S22 PolarHBondContact O-N 3.2Å
23	S	29.3	Very low	35.5	Very low	110 Å²	110	94.6 Å²	94.6	77%	0.769	59%	0.586	S	S	*	*	S	Bend	trans	-50.7	150.1	-173.9	49.4	0	0	0	0	114.6	P21	P21-S23 PolarHBondContact O-N 2.84Å
24	S	29.6	Very low	35.5	Very low	121 Å²	121	96.4 Å²	96.4	85%	0.846	60%	0.596	S	S	*	*			trans	74.7	58.8	172.3	70.1	0	0	0	0	118.5
25	T	32.5	Very low	35.6	Very low	110 Å²	110	95.3 Å²	95.3	68%	0.675	59%	0.588	S	S	*	*			trans	-130.4	131.6	147.9	52	0	0	0	0	111	S27	T25-S27 PolarHBondContact O-N 3.27Å
26	S	29.3	Very low	35.4	Very low	123 Å²	123	93.4 Å²	93.4	86%	0.86	58%	0.58	S	S	*	*	S	Bend	trans	-99.5	70.5	-166.8	56.6	0	0	0	0	113.5
27	S	32.4	Very low	35.6	Very low	56 Å²	56	98 Å²	98	39%	0.392	60%	0.601	S	S	.	*			trans	-177.2	97.2	156.2	31.5	0	0	0	0	112.3	T25 S29	T25-S27 PolarHBondContact O-N 3.27Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 2.8Å
28	P	30	Very low	35.8	Very low	111 Å²	111	99.2 Å²	99.2	72%	0.721	59%	0.594	S	S	*	*	H	α-helix	trans	-60.7	-30.9	-176.5	-26.6	35.7	0	0	0	115.3	N32	P28-N32 WeakPolarHBondContact O-CB 3.31Å; P28-N32 PolarHBondContact O-N 3.15Å
29	S	34.6	Very low	35.9	Very low	79 Å²	79	96.3 Å²	96.3	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-65.8	-41.4	-175.5	49	0	0	0	0	113.8	S27 A33	S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 2.8Å; S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 3.44Å; S29-A33 VanDerWaalsContact O-N 3.09Å
30	L	31.6	Very low	36.3	Very low	110 Å²	110	92.3 Å²	92.3	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-72.7	-34.1	-177.4	-98.2	154.1	0	0	0	112.9	N34	L30-N34 PolarHBondContact O-N 3.38Å; L30-N34 PolarHBondContact O-ND2 3.27Å
31	L	31.1	Very low	36.8	Very low	105 Å²	105	90.9 Å²	90.9	55%	0.55	55%	0.545	S	S	.	.	H	α-helix	trans	-68.2	-45.5	175	-126.3	103.1	0	0	0	110.9	N34 F35	L31-N34 PolarHBondContact O-N 3.01Å; L31-F35 PolarHBondContact O-N 2.96Å
32	N	39.9	Very low	37.4	Very low	65 Å²	65	86.7 Å²	86.7	35%	0.348	52%	0.518	S	S	.	.	H	α-helix	trans	-69.5	-36.8	-176.2	-154.3	11.2	0	0	0	112.3	P28 F35 M36	P28-N32 WeakPolarHBondContact O-CB 3.31Å; P28-N32 PolarHBondContact O-N 3.15Å; N32-F35 PolarHBondContact O-N 3.47Å; N32-M36 WeakPolarHBondContact O-CG 3.49Å; N32-M36 PolarHBondContact O-N 3.29Å
33	A	37.4	Very low	38	Very low	56 Å²	56	84.7 Å²	84.7	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-44.6	172	0	0	0	0	0	112.3	S29 M36 Q37	S29-A33 WeakPolarHBondContact O-CB 3.38Å; S29-A33 PolarHBondContact O-N 3.44Å; S29-A33 VanDerWaalsContact O-N 3.09Å; A33-M36 PolarHBondContact O-N 2.71Å; A33-Q37 WeakPolarHBondContact O-CB 3.48Å; A33-Q37 PolarHBondContact O-N 3.43Å
34	N	40.8	Very low	38.7	Very low	79 Å²	79	85.1 Å²	85.1	42%	0.422	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-41.6	174.3	-86.8	-73.4	0	0	0	112	L30 L31 Q37 Q38	L30-N34 PolarHBondContact O-N 3.38Å; L30-N34 PolarHBondContact O-ND2 3.27Å; L31-N34 PolarHBondContact O-N 3.01Å; N34-Q37 PolarHBondContact O-N 3.07Å; N34-Q38 WeakPolarHBondContact O-CB 3.41Å; N34-Q38 VanDerWaalsContact O-CG 3.29Å; N34-Q38 WeakPolarHBondContact O-CG 3.39Å; N34-Q38 PolarHBondContact O-N 3.26Å
35	F	42.3	Very low	39.4	Very low	56 Å²	56	86.4 Å²	86.4	25%	0.246	48%	0.476	C	S	.	.	H	α-helix	trans	-59.9	-50.8	176.4	-179.9	-97.4	0	0	0	111.7	L16 L31 N32 Q37 Q38 F39	L16-F35 HydrophobicContact CB-CE2 4.03Å; L16-F35 WeakPolarHBondContact O-CE2 3.49Å; L31-F35 PolarHBondContact O-N 2.96Å; N32-F35 PolarHBondContact O-N 3.47Å; F35-Q37 VanDerWaalsContact C-N 3.32Å; F35-Q37 PolarHBondContact O-N 3.35Å; F35-Q38 PolarHBondContact O-N 3.26Å; F35-F39 WeakPolarHBondContact O-CB 3.46Å; F35-F39 PolarHBondContact O-N 3.24Å
36	M	41	Very low	39.5	Very low	93 Å²	93	83.3 Å²	83.3	46%	0.458	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-40.3	176.7	-75.8	-66.1	-143.9	0	0	112.4	N32 A33 S40 I92	N32-M36 WeakPolarHBondContact O-CG 3.49Å; N32-M36 PolarHBondContact O-N 3.29Å; A33-M36 PolarHBondContact O-N 2.71Å; M36-S40 WeakPolarHBondContact O-CB 3.3Å; M36-S40 PolarHBondContact O-N 2.81Å; M36-I92 HydrophobicContact CE-CD1 3.42Å; M36-I92 VanDerWaalsContact CE-CD1 3.42Å; M36-I92 HydrophobicContact CE-CG1 4.17Å; M36-I92 HydrophobicContact SD-CD1 4.26Å
37	Q	46.9	Very low	39.9	Very low	124 Å²	124	80.3 Å²	80.3	58%	0.579	42%	0.423	S	S	*	.	H	α-helix	trans	-70.2	-37.6	178.3	-164.6	172.2	17.1	0	0	112	A33 N34 F35 N41	A33-Q37 WeakPolarHBondContact O-CB 3.48Å; A33-Q37 PolarHBondContact O-N 3.43Å; N34-Q37 PolarHBondContact O-N 3.07Å; F35-Q37 VanDerWaalsContact C-N 3.32Å; F35-Q37 PolarHBondContact O-N 3.35Å; Q37-N41 VanDerWaalsContact O-CB 3.24Å; Q37-N41 WeakPolarHBondContact O-CB 3.45Å; Q37-N41 PolarHBondContact O-N 3.28Å; Q37-N41 PolarHBondContact O-ND2 3.39Å
38	Q	44.6	Very low	40.2	Very low	98 Å²	98	80.3 Å²	80.3	46%	0.458	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-45.4	173.4	-73.4	-179.2	25.2	0	0	111.8	N34 F35 N41 V42	N34-Q38 WeakPolarHBondContact O-CB 3.41Å; N34-Q38 VanDerWaalsContact O-CG 3.29Å; N34-Q38 WeakPolarHBondContact O-CG 3.39Å; N34-Q38 PolarHBondContact O-N 3.26Å; F35-Q38 PolarHBondContact O-N 3.26Å; Q38-N41 PolarHBondContact O-N 2.8Å; Q38-V42 WeakPolarHBondContact O-CG2 3.35Å; Q38-V42 PolarHBondContact O-N 3.23Å
39	F	42.5	Very low	40.5	Very low	65 Å²	65	77.4 Å²	77.4	29%	0.285	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-48	175.8	-173.3	-91.3	0	0	0	111.2	L13 F35 N41 V42 F43	L13-F39 HydrophobicContact CD2-CD2 4.06Å; L13-F39 HydrophobicContact CD2-CE2 3.79Å; F35-F39 WeakPolarHBondContact O-CB 3.46Å; F35-F39 PolarHBondContact O-N 3.24Å; F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 PolarHBondContact O-N 3.45Å; F39-V42 PolarHBondContact O-N 3.16Å; F39-F43 HydrophobicContact CE1-CD2 4.27Å; F39-F43 HydrophobicContact CZ-CD2 4.47Å; F39-F43 VanDerWaalsContact O-CB 3.29Å; F39-F43 WeakPolarHBondContact O-CB 3.33Å; F39-F43 PolarHBondContact O-N 3.3Å
40	S	45	Very low	40.4	Very low	53 Å²	53	78.5 Å²	78.5	37%	0.371	40%	0.402	S	S	.	.	H	α-helix	trans	-58.5	-43.7	173.9	-174.7	0	0	0	0	111.8	M36 F43 Q44	M36-S40 WeakPolarHBondContact O-CB 3.3Å; M36-S40 PolarHBondContact O-N 2.81Å; S40-F43 PolarHBondContact O-N 3.18Å; S40-Q44 VanDerWaalsContact O-CB 3.27Å; S40-Q44 WeakPolarHBondContact O-CB 3.4Å; S40-Q44 VanDerWaalsContact O-CG 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 3.42Å; S40-Q44 PolarHBondContact O-N 2.78Å
41	N	47.1	Very low	40.5	Very low	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-38.3	176.3	-78.3	-34.6	0	0	0	113.3	Q37 Q38 F39 K45	Q37-N41 VanDerWaalsContact O-CB 3.24Å; Q37-N41 WeakPolarHBondContact O-CB 3.45Å; Q37-N41 PolarHBondContact O-N 3.28Å; Q37-N41 PolarHBondContact O-ND2 3.39Å; Q38-N41 PolarHBondContact O-N 2.8Å; F39-N41 VanDerWaalsContact C-N 3.35Å; F39-N41 PolarHBondContact O-N 3.45Å; N41-K45 WeakPolarHBondContact O-CB 3.28Å; N41-K45 WeakPolarHBondContact O-CD 3.41Å; N41-K45 WeakPolarHBondContact O-CG 3.35Å; N41-K45 PolarHBondContact O-N 3.43Å
42	V	47.2	Very low	40.4	Very low	25 Å²	25	75 Å²	75	15%	0.152	39%	0.393	C	S	.	.	H	α-helix	trans	-69.8	-44.7	176.2	172.2	0	0	0	0	110.4	L13 L16 Q38 F39 K45 F46	L13-V42 HydrophobicContact CD2-CB 4.46Å; L13-V42 HydrophobicContact CD2-CG1 3.74Å; L13-V42 HydrophobicContact CG-CG1 4.01Å; L16-V42 HydrophobicContact CD1-CG2 4.28Å; Q38-V42 WeakPolarHBondContact O-CG2 3.35Å; Q38-V42 PolarHBondContact O-N 3.23Å; F39-V42 PolarHBondContact O-N 3.16Å; V42-K45 PolarHBondContact O-N 3.17Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.22Å
43	F	43.4	Very low	40	Very low	63 Å²	63	75.7 Å²	75.7	28%	0.276	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.9	-159.9	-90.8	0	0	0	111.4	F39 S40 F46 Y47	F39-F43 HydrophobicContact CE1-CD2 4.27Å; F39-F43 HydrophobicContact CZ-CD2 4.47Å; F39-F43 VanDerWaalsContact O-CB 3.29Å; F39-F43 WeakPolarHBondContact O-CB 3.33Å; F39-F43 PolarHBondContact O-N 3.3Å; S40-F43 PolarHBondContact O-N 3.18Å; F43-F46 PolarHBondContact O-N 2.8Å; F43-Y47 AromaticContact CD1-CD2 3.75Å; F43-Y47 HydrophobicContact CD1-CD2 3.75Å; F43-Y47 AromaticContact CD1-CE2 3.94Å; F43-Y47 HydrophobicContact CD1-CE2 3.94Å; F43-Y47 HydrophobicContact CD2-CE2 4.13Å; F43-Y47 AromaticContact CE1-CD2 3.67Å; F43-Y47 HydrophobicContact CE1-CD2 3.67Å; F43-Y47 AromaticContact CE1-CE2 3.53Å; F43-Y47 HydrophobicContact CE1-CE2 3.53Å; F43-Y47 HydrophobicContact CE2-CD2 4.5Å; F43-Y47 AromaticContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CG-CD2 4.21Å; F43-Y47 HydrophobicContact CG-CE2 4.23Å; F43-Y47 HydrophobicContact CZ-CD2 4.08Å; F43-Y47 AromaticContact CZ-CE2 3.43Å; F43-Y47 HydrophobicContact CZ-CE2 3.43Å; F43-Y47 VanDerWaalsContact CZ-CE2 3.43Å; F43-Y47 WeakPolarHBondContact O-CD2 3.41Å; F43-Y47 PolarHBondContact O-N 2.78Å; F43-Y47 VanDerWaalsContact O-N 3.09Å
44	Q	44.4	Very low	39.5	Very low	120 Å²	120	76.8 Å²	76.8	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-62.6	-42.2	173	-75.5	-171.7	15.2	0	0	112.1	S40 S48	S40-Q44 VanDerWaalsContact O-CB 3.27Å; S40-Q44 WeakPolarHBondContact O-CB 3.4Å; S40-Q44 VanDerWaalsContact O-CG 3.29Å; S40-Q44 WeakPolarHBondContact O-CG 3.42Å; S40-Q44 PolarHBondContact O-N 2.78Å; Q44-S48 WeakPolarHBondContact O-CA 3.47Å; Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 3.04Å; Q44-S48 PolarHBondContact O-OG 3.11Å
45	K	42.5	Very low	39	Very low	147 Å²	147	80 Å²	80	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-60.7	-45.8	175	-80.3	170	-178.9	178.1	0	112.2	N41 V42 S48 S49	N41-K45 WeakPolarHBondContact O-CB 3.28Å; N41-K45 WeakPolarHBondContact O-CD 3.41Å; N41-K45 WeakPolarHBondContact O-CG 3.35Å; N41-K45 PolarHBondContact O-N 3.43Å; V42-K45 PolarHBondContact O-N 3.17Å; K45-S48 PolarHBondContact O-OG 2.85Å; K45-S49 WeakPolarHBondContact O-CB 3.46Å; K45-S49 PolarHBondContact O-N 3.21Å
46	F	36.4	Very low	38.3	Very low	46 Å²	46	81.9 Å²	81.9	20%	0.202	43%	0.433	C	S	.	.	H	α-helix	trans	-55.3	-59.7	178.4	-171.1	-89.3	0	0	0	110.2	W6 V42 F43 S49	W6-F46 AromaticContact CD1-CZ 3.97Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.22Å; F43-F46 PolarHBondContact O-N 2.8Å; F46-S49 PolarHBondContact O-N 3.11Å; F46-S49 PolarHBondContact O-OG 2.82Å
47	Y	36	Very low	37.7	Very low	59 Å²	59	78.7 Å²	78.7	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-77.1	-29	-175	-73.2	-75.7	0	0	0	115.1	F43 S49 E50 T51	F43-Y47 AromaticContact CD1-CD2 3.75Å; F43-Y47 HydrophobicContact CD1-CD2 3.75Å; F43-Y47 AromaticContact CD1-CE2 3.94Å; F43-Y47 HydrophobicContact CD1-CE2 3.94Å; F43-Y47 HydrophobicContact CD2-CE2 4.13Å; F43-Y47 AromaticContact CE1-CD2 3.67Å; F43-Y47 HydrophobicContact CE1-CD2 3.67Å; F43-Y47 AromaticContact CE1-CE2 3.53Å; F43-Y47 HydrophobicContact CE1-CE2 3.53Å; F43-Y47 HydrophobicContact CE2-CD2 4.5Å; F43-Y47 AromaticContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CE2-CE2 3.75Å; F43-Y47 HydrophobicContact CG-CD2 4.21Å; F43-Y47 HydrophobicContact CG-CE2 4.23Å; F43-Y47 HydrophobicContact CZ-CD2 4.08Å; F43-Y47 AromaticContact CZ-CE2 3.43Å; F43-Y47 HydrophobicContact CZ-CE2 3.43Å; F43-Y47 VanDerWaalsContact CZ-CE2 3.43Å; F43-Y47 WeakPolarHBondContact O-CD2 3.41Å; F43-Y47 PolarHBondContact O-N 2.78Å; F43-Y47 VanDerWaalsContact O-N 3.09Å; Y47-S49 VanDerWaalsContact C-N 3.28Å; Y47-S49 PolarHBondContact O-N 3.02Å; Y47-E50 PolarHBondContact O-N 2.76Å; Y47-T51 WeakPolarHBondContact O-CB 3.45Å; Y47-T51 WeakPolarHBondContact O-CG2 3.49Å; Y47-T51 PolarHBondContact O-N 2.95Å; Y47-T51 PolarHBondContact O-OG1 2.84Å
48	S	38.9	Very low	36.7	Very low	56 Å²	56	83.2 Å²	83.2	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-66.7	-31.6	173.6	61.3	0	0	0	0	111.9	Q44 K45 T51 S52	Q44-S48 WeakPolarHBondContact O-CA 3.47Å; Q44-S48 WeakPolarHBondContact O-CB 3.47Å; Q44-S48 PolarHBondContact O-N 3.04Å; Q44-S48 PolarHBondContact O-OG 3.11Å; K45-S48 PolarHBondContact O-OG 2.85Å; S48-T51 WeakPolarHBondContact CA-OG1 3.33Å; S48-S52 WeakPolarHBondContact O-CB 3.33Å; S48-S52 PolarHBondContact O-N 2.94Å; S48-S52 PolarHBondContact O-OG 3.33Å
49	S	36.5	Very low	36	Very low	50 Å²	50	81.4 Å²	81.4	35%	0.35	44%	0.435	S	S	.	.	H	α-helix	trans	-65.3	-39.5	175	80.4	0	0	0	0	112.6	K45 F46 Y47	K45-S49 WeakPolarHBondContact O-CB 3.46Å; K45-S49 PolarHBondContact O-N 3.21Å; F46-S49 PolarHBondContact O-N 3.11Å; F46-S49 PolarHBondContact O-OG 2.82Å; Y47-S49 VanDerWaalsContact C-N 3.28Å; Y47-S49 PolarHBondContact O-N 3.02Å
50	E	33.6	Very low	35.3	Very low	102 Å²	102	86.3 Å²	86.3	48%	0.477	46%	0.464	S	S	.	.	H	α-helix	trans	-75.1	-53.1	177.7	-61.8	-164.5	133.1	0	0	111.2	Y47 S52 S53 F54	Y47-E50 PolarHBondContact O-N 2.76Å; E50-S52 PolarHBondContact O-N 3.38Å; E50-S53 PolarHBondContact O-N 3.26Å; E50-S53 VanDerWaalsContact O-N 3.15Å; E50-S53 PolarHBondContact O-OG 3.07Å; E50-F54 PolarHBondContact O-N 2.92Å
51	T	32.5	Very low	34.8	Very low	49 Å²	49	88 Å²	88	30%	0.301	47%	0.469	S	S	.	.	H	α-helix	trans	-62.7	-40.9	-177	51.5	0	0	0	0	113.7	Y47 S48 S53 F54 I55	Y47-T51 WeakPolarHBondContact O-CB 3.45Å; Y47-T51 WeakPolarHBondContact O-CG2 3.49Å; Y47-T51 PolarHBondContact O-N 2.95Å; Y47-T51 PolarHBondContact O-OG1 2.84Å; S48-T51 WeakPolarHBondContact CA-OG1 3.33Å; T51-S53 PolarHBondContact O-N 3.33Å; T51-F54 PolarHBondContact O-N 3.45Å; T51-I55 WeakPolarHBondContact O-CG1 3.44Å; T51-I55 PolarHBondContact O-N 3.06Å; T51-I55 VanDerWaalsContact O-N 3.11Å
52	S	29.8	Very low	33.9	Very low	92 Å²	92	88.6 Å²	88.6	64%	0.643	48%	0.477	S	S	*	.	H	α-helix	trans	-64.6	-23.7	178.2	-55.5	0	0	0	0	112.9	S48 E50	S48-S52 WeakPolarHBondContact O-CB 3.33Å; S48-S52 PolarHBondContact O-N 2.94Å; S48-S52 PolarHBondContact O-OG 3.33Å; E50-S52 PolarHBondContact O-N 3.38Å
53	S	30.6	Very low	33.2	Very low	80 Å²	80	96.1 Å²	96.1	56%	0.559	50%	0.504	S	S	*	.	H	α-helix	trans	-80.4	-21.7	173.4	80.1	0	0	0	0	113.2	E50 T51	E50-S53 PolarHBondContact O-N 3.26Å; E50-S53 VanDerWaalsContact O-N 3.15Å; E50-S53 PolarHBondContact O-OG 3.07Å; T51-S53 PolarHBondContact O-N 3.33Å
54	F	28	Very low	32.7	Very low	79 Å²	79	96.8 Å²	96.8	35%	0.346	51%	0.51	S	S	.	.	H	α-helix	trans	-104.6	-27.8	-164.4	-162.2	-104.3	0	0	0	114.3	E50 T51 S56 T57 S59 L64	E50-F54 PolarHBondContact O-N 2.92Å; T51-F54 PolarHBondContact O-N 3.45Å; F54-S56 PolarHBondContact O-N 2.73Å; F54-T57 PolarHBondContact O-N 3.2Å; F54-T57 PolarHBondContact O-OG1 3.38Å; F54-T57 VanDerWaalsContact O-OG1 3.13Å; F54-S59 WeakPolarHBondContact CE2-OG 3.31Å; F54-S59 WeakPolarHBondContact CZ-OG 3.19Å; F54-L64 HydrophobicContact CD2-CD1 4.45Å; F54-L64 HydrophobicContact CE1-CD1 4.46Å; F54-L64 HydrophobicContact CE2-CD1 3.58Å; F54-L64 HydrophobicContact CZ-CB 4.34Å; F54-L64 HydrophobicContact CZ-CD1 3.58Å
55	I	30.2	Very low	32	Very low	148 Å²	148	98.6 Å²	98.6	76%	0.759	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.5	179.6	-71.4	165.4	0	0	0	112.9	T51	T51-I55 WeakPolarHBondContact O-CG1 3.44Å; T51-I55 PolarHBondContact O-N 3.06Å; T51-I55 VanDerWaalsContact O-N 3.11Å
56	S	27.9	Very low	31.4	Very low	94 Å²	94	94.3 Å²	94.3	66%	0.657	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.1	174.7	71.3	0	0	0	0	115.4	F54	F54-S56 PolarHBondContact O-N 2.73Å
57	T	26.9	Very low	31.4	Very low	26 Å²	26	95.4 Å²	95.4	16%	0.16	51%	0.507	C	S	.	.			trans	-130	107.5	-169.5	55.2	0	0	0	0	113.4	F54 S59 L505 C506	F54-T57 PolarHBondContact O-N 3.2Å; F54-T57 PolarHBondContact O-OG1 3.38Å; F54-T57 VanDerWaalsContact O-OG1 3.13Å; T57-S59 PolarHBondContact O-N 3.44Å; T57-S59 VanDerWaalsContact O-N 3.08Å; T57-L505 WeakPolarHBondContact CG2-O 3.25Å; T57-C506 HydrophobicContact CG2-CB 3.92Å
58	K	26.6	Very low	31.3	Very low	220 Å²	220	99 Å²	99	96%	0.957	52%	0.522	S	S	*	.			trans	-63.8	107	165.6	-69.6	-175.7	177.7	-176.8	0	109.6
59	S	29.1	Very low	30.9	Very low	59 Å²	59	98.5 Å²	98.5	41%	0.413	51%	0.514	S	S	.	.			trans	-134.5	133.2	169.6	60.4	0	0	0	0	110.8	F54 T57 D61	F54-S59 WeakPolarHBondContact CE2-OG 3.31Å; F54-S59 WeakPolarHBondContact CZ-OG 3.19Å; T57-S59 PolarHBondContact O-N 3.44Å; T57-S59 VanDerWaalsContact O-N 3.08Å; S59-D61 VanDerWaalsContact C-N 3.27Å; S59-D61 PolarHBondContact O-N 3.05Å; S59-D61 VanDerWaalsContact O-N 3.09Å
60	N	29.8	Very low	31.5	Very low	169 Å²	169	97.1 Å²	97.1	90%	0.904	50%	0.504	S	S	*	.			trans	-88.3	59	-172.3	-64.6	-7.6	0	0	0	110.8	P62	N60-P62 WeakPolarHBondContact O-CD 3.35Å
61	D	33.5	Very low	32.1	Very low	87 Å²	87	94.2 Å²	94.2	47%	0.465	49%	0.491	S	S	.	.			trans	-103.2	105.2	-177.3	-141.4	-34	0	0	0	110.7	S59 Y63 L64	S59-D61 VanDerWaalsContact C-N 3.27Å; S59-D61 PolarHBondContact O-N 3.05Å; S59-D61 VanDerWaalsContact O-N 3.09Å; D61-Y63 VanDerWaalsContact C-N 3.26Å; D61-Y63 PolarHBondContact O-N 3.2Å; D61-L64 HydrophobicContact CB-CD1 4.32Å; D61-L64 PolarHBondContact O-N 3.2Å; D61-L64 VanDerWaalsContact O-N 3.16Å
62	P	28.4	Very low	32.5	Very low	89 Å²	89	95.1 Å²	95.1	58%	0.578	50%	0.496	S	S	*	.	H	α-helix	trans	-59.8	-34.4	-168.1	-26.3	35.6	0	0	0	114	N60 L64 Y65 T66	N60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-L64 PolarHBondContact O-N 3.1Å; P62-Y65 PolarHBondContact O-N 2.99Å; P62-T66 PolarHBondContact O-N 3.44Å; P62-T66 PolarHBondContact O-OG1 2.94Å
63	Y	32.1	Very low	33.1	Very low	184 Å²	184	93.1 Å²	93.1	72%	0.722	48%	0.48	S	S	*	.	H	α-helix	trans	-66.5	-18	-178.2	-67.9	-78	0	0	0	114.3	D61 T66 N67	D61-Y63 VanDerWaalsContact C-N 3.26Å; D61-Y63 PolarHBondContact O-N 3.2Å; Y63-T66 VanDerWaalsContact C-OG1 3.23Å; Y63-T66 WeakPolarHBondContact CA-OG1 3.23Å; Y63-T66 PolarHBondContact O-OG1 2.94Å; Y63-N67 PolarHBondContact O-OD1 2.79Å
64	L	32.4	Very low	33.9	Very low	76 Å²	76	90.1 Å²	90.1	40%	0.398	46%	0.458	S	S	.	.	H	α-helix	trans	-93.7	-30.4	176.3	-65.9	174.3	0	0	0	111.7	F54 D61 P62 N67 Y68	F54-L64 HydrophobicContact CD2-CD1 4.45Å; F54-L64 HydrophobicContact CE1-CD1 4.46Å; F54-L64 HydrophobicContact CE2-CD1 3.58Å; F54-L64 HydrophobicContact CZ-CB 4.34Å; F54-L64 HydrophobicContact CZ-CD1 3.58Å; D61-L64 HydrophobicContact CB-CD1 4.32Å; D61-L64 PolarHBondContact O-N 3.2Å; D61-L64 VanDerWaalsContact O-N 3.16Å; P62-L64 PolarHBondContact O-N 3.1Å; L64-N67 PolarHBondContact O-N 3.39Å; L64-Y68 PolarHBondContact O-N 3.35Å
65	Y	29.4	Very low	34.9	Very low	158 Å²	158	90.3 Å²	90.3	62%	0.62	46%	0.462	S	S	*	.	H	α-helix	trans	-66.6	-38.6	173.4	-168.4	-112.3	0	0	0	111.6	P62 N67 Y68 L69	P62-Y65 PolarHBondContact O-N 2.99Å; Y65-N67 VanDerWaalsContact C-N 3.3Å; Y65-N67 PolarHBondContact O-N 3.32Å; Y65-Y68 PolarHBondContact O-N 3.06Å; Y65-L69 HydrophobicContact CD1-CD1 3.77Å; Y65-L69 HydrophobicContact CD2-CD1 4.32Å; Y65-L69 HydrophobicContact CE1-CD1 3.44Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.44Å; Y65-L69 HydrophobicContact CE2-CD1 4.02Å; Y65-L69 HydrophobicContact CG-CD1 4.2Å; Y65-L69 WeakPolarHBondContact O-CD1 3.48Å; Y65-L69 PolarHBondContact O-N 3.41Å
66	T	31.3	Very low	35.5	Very low	58 Å²	58	86.1 Å²	86.1	36%	0.356	45%	0.446	S	S	.	.	H	α-helix	trans	-58.4	-39	172	44.5	0	0	0	0	112.8	P62 Y63 L69 S70 F106	P62-T66 PolarHBondContact O-N 3.44Å; P62-T66 PolarHBondContact O-OG1 2.94Å; Y63-T66 VanDerWaalsContact C-OG1 3.23Å; Y63-T66 WeakPolarHBondContact CA-OG1 3.23Å; Y63-T66 PolarHBondContact O-OG1 2.94Å; T66-L69 PolarHBondContact O-N 3.24Å; T66-S70 PolarHBondContact O-N 3.48Å; T66-F106 WeakPolarHBondContact O-CE1 3.47Å
67	N	35.6	Very low	36	Very low	68 Å²	68	84.7 Å²	84.7	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-73.9	-28	179.9	-67.6	1.6	0	0	0	112.8	Y63 L64 Y65 S70 Q71	Y63-N67 PolarHBondContact O-OD1 2.79Å; L64-N67 PolarHBondContact O-N 3.39Å; Y65-N67 VanDerWaalsContact C-N 3.3Å; Y65-N67 PolarHBondContact O-N 3.32Å; N67-S70 PolarHBondContact O-OG 2.91Å; N67-Q71 PolarHBondContact O-N 3.37Å
68	Y	34.1	Very low	36.9	Very low	136 Å²	136	87 Å²	87	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-74.7	-36.7	171.8	-173.2	-101.9	0	0	0	112.2	L64 Y65 T72	L64-Y68 PolarHBondContact O-N 3.35Å; Y65-Y68 PolarHBondContact O-N 3.06Å; Y68-T72 PolarHBondContact O-N 3.39Å; Y68-T72 PolarHBondContact O-OG1 3.18Å
69	L	31.5	Very low	37.8	Very low	44 Å²	44	82 Å²	82	23%	0.23	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-40.5	169.9	-94.4	84.2	0	0	0	111.9	Y65 T66 Q71 T72 V73	Y65-L69 HydrophobicContact CD1-CD1 3.77Å; Y65-L69 HydrophobicContact CD2-CD1 4.32Å; Y65-L69 HydrophobicContact CE1-CD1 3.44Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.44Å; Y65-L69 HydrophobicContact CE2-CD1 4.02Å; Y65-L69 HydrophobicContact CG-CD1 4.2Å; Y65-L69 WeakPolarHBondContact O-CD1 3.48Å; Y65-L69 PolarHBondContact O-N 3.41Å; T66-L69 PolarHBondContact O-N 3.24Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 2.9Å; L69-T72 WeakPolarHBondContact CA-OG1 3.44Å; L69-T72 PolarHBondContact O-N 3.49Å; L69-T72 PolarHBondContact O-OG1 3.38Å; L69-V73 WeakPolarHBondContact O-CB 3.47Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 3.44Å
70	S	49	Very low	38.4	Very low	22 Å²	22	87.3 Å²	87.3	15%	0.154	44%	0.437	C	S	.	.	H	α-helix	trans	-61.8	-38.3	179.7	73.5	0	0	0	0	111.8	T66 N67 L74	T66-S70 PolarHBondContact O-N 3.48Å; N67-S70 PolarHBondContact O-OG 2.91Å; S70-L74 WeakPolarHBondContact O-CB 3.39Å; S70-L74 PolarHBondContact O-N 3.31Å
71	Q	45.1	Very low	38.9	Very low	41 Å²	41	82.5 Å²	82.5	19%	0.192	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-48.6	171.1	-74.5	-166.4	-13	0	0	113.6	N67 L69 L74 N75	N67-Q71 PolarHBondContact O-N 3.37Å; L69-Q71 VanDerWaalsContact C-N 3.3Å; L69-Q71 PolarHBondContact O-N 2.9Å; Q71-L74 PolarHBondContact O-N 3.31Å; Q71-N75 VanDerWaalsContact O-CB 3.28Å; Q71-N75 WeakPolarHBondContact O-CB 3.08Å; Q71-N75 PolarHBondContact O-N 3.21Å; Q71-N75 PolarHBondContact O-ND2 3.35Å
72	T	41.8	Very low	39.1	Very low	68 Å²	68	85.7 Å²	85.7	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-70.4	-35.8	-176	36.1	0	0	0	0	112.1	Y68 L69 S76	Y68-T72 PolarHBondContact O-N 3.39Å; Y68-T72 PolarHBondContact O-OG1 3.18Å; L69-T72 WeakPolarHBondContact CA-OG1 3.44Å; L69-T72 PolarHBondContact O-N 3.49Å; L69-T72 PolarHBondContact O-OG1 3.38Å; T72-S76 WeakPolarHBondContact O-CB 3.43Å; T72-S76 PolarHBondContact O-N 3.35Å; T72-S76 VanDerWaalsContact O-N 3.07Å
73	V	42.1	Very low	39.3	Very low	49 Å²	49	91 Å²	91	30%	0.297	44%	0.435	S	S	.	.	H	α-helix	trans	-70.4	-44	172.8	179.9	0	0	0	0	111.2	L69 S76 Y77 F99 F103	L69-V73 WeakPolarHBondContact O-CB 3.47Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 3.44Å; V73-S76 WeakPolarHBondContact O-CB 3.34Å; V73-S76 PolarHBondContact O-N 3.14Å; V73-Y77 WeakPolarHBondContact O-CB 3.09Å; V73-Y77 PolarHBondContact O-N 2.67Å; V73-F99 HydrophobicContact CG1-CE2 4.07Å; V73-F103 HydrophobicContact CG1-CD2 4.42Å; V73-F103 HydrophobicContact CG1-CE2 3.73Å; V73-F103 HydrophobicContact CG1-CZ 3.82Å
74	L	47.6	Very low	39.4	Very low	17 Å²	17	87.1 Å²	87.1	9%	0.089	43%	0.426	C	S	.	.	H	α-helix	trans	-64.8	-44.9	179	-177	62.5	0	0	0	112	S70 Q71 S76 Y77 I78 F96 F99	S70-L74 WeakPolarHBondContact O-CB 3.39Å; S70-L74 PolarHBondContact O-N 3.31Å; Q71-L74 PolarHBondContact O-N 3.31Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.49Å; L74-Y77 WeakPolarHBondContact O-CB 3.35Å; L74-Y77 PolarHBondContact O-N 3.05Å; L74-Y77 VanDerWaalsContact O-N 3.16Å; L74-I78 HydrophobicContact CD1-CD1 4.11Å; L74-I78 HydrophobicContact CD1-CG1 4.39Å; L74-I78 HydrophobicContact CG-CD1 3.92Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.9Å; L74-F96 HydrophobicContact CD1-CE1 4.45Å; L74-F96 HydrophobicContact CD2-CE1 4.12Å; L74-F99 HydrophobicContact CB-CE2 3.84Å; L74-F99 HydrophobicContact CB-CZ 4Å; L74-F99 HydrophobicContact CD1-CD1 4.45Å; L74-F99 HydrophobicContact CD1-CD2 3.73Å; L74-F99 HydrophobicContact CD1-CE2 3.88Å; L74-F99 HydrophobicContact CD1-CG 4.04Å; L74-F99 HydrophobicContact CD1-CZ 4.31Å; L74-F99 HydrophobicContact CG-CE2 4.46Å
75	N	48.7	Very low	39.2	Very low	84 Å²	84	91.7 Å²	91.7	45%	0.449	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-36.7	174.9	-70.5	-19.8	0	0	0	111.7	Q71 N79	Q71-N75 VanDerWaalsContact O-CB 3.28Å; Q71-N75 WeakPolarHBondContact O-CB 3.08Å; Q71-N75 PolarHBondContact O-N 3.21Å; Q71-N75 PolarHBondContact O-ND2 3.35Å; N75-N79 VanDerWaalsContact O-CB 3.23Å; N75-N79 WeakPolarHBondContact O-CB 3.44Å; N75-N79 PolarHBondContact O-N 3.05Å; N75-N79 PolarHBondContact O-ND2 3.3Å
76	S	43.2	Very low	39.4	Very low	60 Å²	60	90.2 Å²	90.2	42%	0.42	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-36.5	173	-175.8	0	0	0	0	112.4	T72 V73 L74 K80	T72-S76 WeakPolarHBondContact O-CB 3.43Å; T72-S76 PolarHBondContact O-N 3.35Å; T72-S76 VanDerWaalsContact O-N 3.07Å; V73-S76 WeakPolarHBondContact O-CB 3.34Å; V73-S76 PolarHBondContact O-N 3.14Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.49Å; S76-K80 WeakPolarHBondContact O-CG 3.33Å; S76-K80 PolarHBondContact O-N 2.8Å; S76-K80 VanDerWaalsContact O-N 3.15Å
77	Y	37.2	Very low	39.5	Very low	64 Å²	64	92.6 Å²	92.6	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-49.9	177.2	-155.2	-79.9	0	0	0	111.3	V73 L74 N79 K80 E81	V73-Y77 WeakPolarHBondContact O-CB 3.09Å; V73-Y77 PolarHBondContact O-N 2.67Å; L74-Y77 WeakPolarHBondContact O-CB 3.35Å; L74-Y77 PolarHBondContact O-N 3.05Å; L74-Y77 VanDerWaalsContact O-N 3.16Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 2.96Å; Y77-K80 PolarHBondContact O-N 3.36Å; Y77-E81 HydrophobicContact CD1-CG 4Å; Y77-E81 HydrophobicContact CE1-CG 3.94Å; Y77-E81 WeakPolarHBondContact O-CG 3.41Å; Y77-E81 PolarHBondContact O-N 3.26Å; Y77-E81 VanDerWaalsContact O-N 3.08Å
78	I	47	Very low	39.5	Very low	74 Å²	74	94.6 Å²	94.6	38%	0.379	47%	0.469	S	S	.	.	H	α-helix	trans	-59.4	-43.3	176.3	-67.1	167.4	0	0	0	110.9	L74 K80 E81	L74-I78 HydrophobicContact CD1-CD1 4.11Å; L74-I78 HydrophobicContact CD1-CG1 4.39Å; L74-I78 HydrophobicContact CG-CD1 3.92Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.9Å; I78-K80 PolarHBondContact O-N 3.26Å; I78-E81 PolarHBondContact O-N 3.23Å
79	N	45.3	Very low	39.7	Very low	114 Å²	114	93.2 Å²	93.2	61%	0.61	47%	0.47	S	S	*	.	H	α-helix	trans	-69.5	-18.1	177.6	-71.2	-13.5	0	0	0	113.8	N75 Y77	N75-N79 VanDerWaalsContact O-CB 3.23Å; N75-N79 WeakPolarHBondContact O-CB 3.44Å; N75-N79 PolarHBondContact O-N 3.05Å; N75-N79 PolarHBondContact O-ND2 3.3Å; Y77-N79 VanDerWaalsContact C-N 3.33Å; Y77-N79 PolarHBondContact O-N 2.96Å
80	K	41.8	Very low	40	Very low	172 Å²	172	96.9 Å²	96.9	75%	0.748	49%	0.486	S	S	*	.	H	α-helix	trans	-85.4	-30.9	172	-80.6	-179.7	175.5	-174.5	0	113.2	S76 Y77 I78 H82	S76-K80 WeakPolarHBondContact O-CG 3.33Å; S76-K80 PolarHBondContact O-N 2.8Å; S76-K80 VanDerWaalsContact O-N 3.15Å; Y77-K80 PolarHBondContact O-N 3.36Å; I78-K80 PolarHBondContact O-N 3.26Å; K80-H82 PolarHBondContact O-N 2.87Å
81	E	39.7	Very low	39.9	Very low	68 Å²	68	98.2 Å²	98.2	32%	0.318	49%	0.492	S	S	.	.			trans	-78.7	11.6	179	-68.1	-91.8	107.6	0	0	113.4	Y77 I78 K83 L84	Y77-E81 HydrophobicContact CD1-CG 4Å; Y77-E81 HydrophobicContact CE1-CG 3.94Å; Y77-E81 WeakPolarHBondContact O-CG 3.41Å; Y77-E81 PolarHBondContact O-N 3.26Å; Y77-E81 VanDerWaalsContact O-N 3.08Å; I78-E81 PolarHBondContact O-N 3.23Å; E81-K83 PolarHBondContact O-N 2.4Å; E81-L84 PolarHBondContact O-N 2.76Å
82	H	37	Very low	39.8	Very low	154 Å²	154	98.7 Å²	98.7	71%	0.713	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	29.1	-175.3	-119.2	-84.6	0	0	0	115.5	K80	K80-H82 PolarHBondContact O-N 2.87Å
83	K	33	Very low	40	Very low	201 Å²	201	101.8 Å²	101.8	87%	0.874	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-4.6	169.2	-84.8	-168	171.5	-172.9	0	114	E81 Q85	E81-K83 PolarHBondContact O-N 2.4Å; K83-Q85 PolarHBondContact O-N 3.49Å
84	L	33.4	Very low	40.2	Very low	101 Å²	101	104 Å²	104	53%	0.529	51%	0.512	S	S	.	.			trans	-78.8	85.9	176	-69.1	171.3	0	0	0	111.2	E81 I95	E81-L84 PolarHBondContact O-N 2.76Å; L84-I95 HydrophobicContact CD1-CD1 4.18Å
85	Q	30.3	Very low	40.3	Very low	173 Å²	173	104.7 Å²	104.7	81%	0.808	52%	0.515	S	S	*	.			trans	-68.1	163.2	149.8	-66.5	-177.5	-81.3	0	0	109.3	K83	K83-Q85 PolarHBondContact O-N 3.49Å
86	D	32	Very low	40.3	Very low	127 Å²	127	103.8 Å²	103.8	68%	0.679	51%	0.508	S	S	*	.	S	Bend	trans	67.8	88.1	176.5	-58.5	-36.3	0	0	0	118.6	N88	D86-N88 PolarHBondContact O-N 2.62Å
87	N	33.1	Very low	40.6	Very low	108 Å²	108	106.3 Å²	106.3	58%	0.578	51%	0.513	S	S	*	.				40.3	71.6	118.9	-61	-51.6	0	0	0	118
88	N	37.3	Very low	41.3	Very low	109 Å²	109	107.6 Å²	107.6	58%	0.583	52%	0.519	S	S	*	.			trans	-154.7	136.9	151.8	-114.4	-35.7	0	0	0	113.9	D86 Q90 N91	D86-N88 PolarHBondContact O-N 2.62Å; N88-Q90 VanDerWaalsContact C-N 3.25Å; N88-Q90 HydrophobicContact CB-CB 4.49Å; N88-Q90 PolarHBondContact O-N 3.26Å; N88-N91 PolarHBondContact O-N 2.79Å
89	L	37.6	Very low	41.3	Very low	107 Å²	107	104.3 Å²	104.3	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-65.6	-30.9	179.3	-172.3	64.6	0	0	0	111.7	N91 I92	L89-N91 PolarHBondContact O-N 3.03Å; L89-I92 HydrophobicContact CD1-CD1 4.25Å; L89-I92 PolarHBondContact O-N 2.97Å
90	Q	36.9	Very low	41.4	Very low	121 Å²	121	102 Å²	102	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-45.6	-45.3	170.5	-121.9	79.6	1.6	0	0	112.6	N88 I92 Q93 E94	N88-Q90 VanDerWaalsContact C-N 3.25Å; N88-Q90 HydrophobicContact CB-CB 4.49Å; N88-Q90 PolarHBondContact O-N 3.26Å; Q90-I92 VanDerWaalsContact C-N 3.27Å; Q90-I92 PolarHBondContact O-N 2.83Å; Q90-Q93 PolarHBondContact O-N 2.74Å; Q90-E94 PolarHBondContact O-N 3.27Å
91	N	47.1	Very low	41.9	Very low	51 Å²	51	101.8 Å²	101.8	27%	0.273	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-32.8	-172.8	-66.3	-5	0	0	0	112	N88 L89 E94 I95	N88-N91 PolarHBondContact O-N 2.79Å; L89-N91 PolarHBondContact O-N 3.03Å; N91-E94 PolarHBondContact O-N 3.28Å; N91-I95 WeakPolarHBondContact O-CB 3.49Å; N91-I95 WeakPolarHBondContact O-CD1 3.37Å; N91-I95 WeakPolarHBondContact O-CG1 3.43Å; N91-I95 PolarHBondContact O-N 3.32Å
92	I	44.6	Very low	42.2	Very low	50 Å²	50	102.4 Å²	102.4	26%	0.256	49%	0.494	S	S	.	.	H	α-helix	trans	-70.4	-44.4	178.3	-56.3	174.4	0	0	0	110	M36 L89 Q90 E94 I95 F96	M36-I92 HydrophobicContact CE-CD1 3.42Å; M36-I92 VanDerWaalsContact CE-CD1 3.42Å; M36-I92 HydrophobicContact CE-CG1 4.17Å; M36-I92 HydrophobicContact SD-CD1 4.26Å; L89-I92 HydrophobicContact CD1-CD1 4.25Å; L89-I92 PolarHBondContact O-N 2.97Å; Q90-I92 VanDerWaalsContact C-N 3.27Å; Q90-I92 PolarHBondContact O-N 2.83Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-I95 PolarHBondContact O-N 3.03Å; I92-F96 HydrophobicContact CG2-CD2 3.96Å; I92-F96 HydrophobicContact CG2-CE2 3.94Å; I92-F96 WeakPolarHBondContact O-CD2 3.46Å; I92-F96 PolarHBondContact O-N 3.4Å
93	Q	44.6	Very low	42.3	Very low	133 Å²	133	97.6 Å²	97.6	62%	0.621	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-40.8	175	-67.7	-176.3	-16.5	0	0	111.1	Q90 H97	Q90-Q93 PolarHBondContact O-N 2.74Å; Q93-H97 VanDerWaalsContact O-CB 3.22Å; Q93-H97 WeakPolarHBondContact O-CB 3.44Å; Q93-H97 PolarHBondContact O-N 3.46Å
94	E	47.2	Very low	42.9	Very low	96 Å²	96	92.2 Å²	92.2	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-41.6	172.3	-87.9	-157.3	-154.1	0	0	113.3	Q90 N91 I92 H97 K98	Q90-E94 PolarHBondContact O-N 3.27Å; N91-E94 PolarHBondContact O-N 3.28Å; I92-E94 VanDerWaalsContact C-N 3.34Å; E94-H97 PolarHBondContact O-N 3.08Å; E94-K98 VanDerWaalsContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CB 3.33Å; E94-K98 VanDerWaalsContact O-CG 3.22Å; E94-K98 WeakPolarHBondContact O-CG 3.45Å; E94-K98 PolarHBondContact O-N 3.44Å; E94-K98 VanDerWaalsContact OE2-CE 3.25Å; E94-K98 WeakPolarHBondContact OE2-CE 3.45Å; E94-K98 IonicContact OE2-NZ 2.85Å; E94-K98 PolarHBondContact OE2-NZ 3.43Å
95	I	50	Low	43.2	Very low	31 Å²	31	93.3 Å²	93.3	16%	0.159	46%	0.46	C	S	.	.	H	α-helix	trans	-64.6	-44.6	178.8	-74.1	162.5	0	0	0	110.4	L84 N91 I92 K98 F99	L84-I95 HydrophobicContact CD1-CD1 4.18Å; N91-I95 WeakPolarHBondContact O-CB 3.49Å; N91-I95 WeakPolarHBondContact O-CD1 3.37Å; N91-I95 WeakPolarHBondContact O-CG1 3.43Å; N91-I95 PolarHBondContact O-N 3.32Å; I92-I95 PolarHBondContact O-N 3.03Å; I95-K98 PolarHBondContact O-N 3.31Å; I95-F99 VanDerWaalsContact O-CB 3.27Å; I95-F99 WeakPolarHBondContact O-CB 3.35Å; I95-F99 PolarHBondContact O-N 3.28Å
96	F	47	Very low	43.6	Very low	65 Å²	65	86.8 Å²	86.8	29%	0.285	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-42	173.2	-81.6	-70.4	0	0	0	112.1	L74 I92 K98 F99 F100	L74-F96 HydrophobicContact CD1-CE1 4.45Å; L74-F96 HydrophobicContact CD2-CE1 4.12Å; I92-F96 HydrophobicContact CG2-CD2 3.96Å; I92-F96 HydrophobicContact CG2-CE2 3.94Å; I92-F96 WeakPolarHBondContact O-CD2 3.46Å; I92-F96 PolarHBondContact O-N 3.4Å; F96-K98 PolarHBondContact O-N 2.75Å; F96-F99 PolarHBondContact O-N 2.87Å; F96-F100 HydrophobicContact CB-CD2 4.39Å; F96-F100 HydrophobicContact CB-CE2 4.29Å; F96-F100 AromaticContact CD1-CE2 3.88Å; F96-F100 HydrophobicContact CD1-CE2 3.88Å; F96-F100 HydrophobicContact CD1-CZ 4.47Å; F96-F100 WeakPolarHBondContact O-CD2 3.04Å; F96-F100 PolarHBondContact O-N 3.25Å
97	H	50.7	Low	44.1	Very low	114 Å²	114	83.1 Å²	83.1	53%	0.528	41%	0.409	S	S	.	.	H	α-helix	trans	-67.4	-35.3	178.8	-163.4	-37.4	0	0	0	112.2	Q93 E94 K101	Q93-H97 VanDerWaalsContact O-CB 3.22Å; Q93-H97 WeakPolarHBondContact O-CB 3.44Å; Q93-H97 PolarHBondContact O-N 3.46Å; E94-H97 PolarHBondContact O-N 3.08Å; H97-K101 WeakPolarHBondContact O-CB 3.41Å; H97-K101 PolarHBondContact O-N 3.32Å
98	K	51.5	Low	44.1	Very low	90 Å²	90	86.2 Å²	86.2	39%	0.391	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-49.6	170.2	-75.8	165	-174.7	161.5	0	110.1	E94 I95 F96 F100 K101 T102	E94-K98 VanDerWaalsContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CB 3.33Å; E94-K98 VanDerWaalsContact O-CG 3.22Å; E94-K98 WeakPolarHBondContact O-CG 3.45Å; E94-K98 PolarHBondContact O-N 3.44Å; E94-K98 VanDerWaalsContact OE2-CE 3.25Å; E94-K98 WeakPolarHBondContact OE2-CE 3.45Å; E94-K98 IonicContact OE2-NZ 2.85Å; E94-K98 PolarHBondContact OE2-NZ 3.43Å; I95-K98 PolarHBondContact O-N 3.31Å; F96-K98 PolarHBondContact O-N 2.75Å; K98-F100 PolarHBondContact O-N 3.4Å; K98-K101 CarbonylContact O-C 3.6Å; K98-K101 PolarHBondContact O-N 3.29Å; K98-T102 WeakPolarHBondContact O-CB 3.37Å; K98-T102 PolarHBondContact O-N 3.15Å; K98-T102 PolarHBondContact O-OG1 3.46Å; K98-T102 VanDerWaalsContact O-OG1 3.06Å
99	F	47.5	Very low	43.7	Very low	5 Å²	5	86.4 Å²	86.4	2%	0.022	43%	0.427	C	S	.	.	H	α-helix	trans	-56	-50.5	178.3	-178.7	-91.3	0	0	0	112.5	V73 L74 I95 F96 T102 F103 F106	V73-F99 HydrophobicContact CG1-CE2 4.07Å; L74-F99 HydrophobicContact CB-CE2 3.84Å; L74-F99 HydrophobicContact CB-CZ 4Å; L74-F99 HydrophobicContact CD1-CD1 4.45Å; L74-F99 HydrophobicContact CD1-CD2 3.73Å; L74-F99 HydrophobicContact CD1-CE2 3.88Å; L74-F99 HydrophobicContact CD1-CG 4.04Å; L74-F99 HydrophobicContact CD1-CZ 4.31Å; L74-F99 HydrophobicContact CG-CE2 4.46Å; I95-F99 VanDerWaalsContact O-CB 3.27Å; I95-F99 WeakPolarHBondContact O-CB 3.35Å; I95-F99 PolarHBondContact O-N 3.28Å; F96-F99 PolarHBondContact O-N 2.87Å; F99-T102 PolarHBondContact O-N 3.05Å; F99-F103 AromaticContact CD2-CD2 3.86Å; F99-F103 HydrophobicContact CD2-CD2 3.86Å; F99-F103 HydrophobicContact CD2-CE2 4.16Å; F99-F103 AromaticContact CE2-CD2 3.81Å; F99-F103 HydrophobicContact CE2-CD2 3.81Å; F99-F103 HydrophobicContact CE2-CE2 4.12Å; F99-F103 HydrophobicContact CG-CD2 4.3Å; F99-F103 HydrophobicContact CZ-CD2 4.21Å; F99-F103 WeakPolarHBondContact O-CD2 3.4Å; F99-F103 PolarHBondContact O-N 2.9Å; F99-F106 HydrophobicContact CE1-CB 4.49Å; F99-F106 HydrophobicContact CE1-CD2 4.1Å; F99-F106 HydrophobicContact CZ-CD2 4.17Å
100	F	47.4	Very low	43.3	Very low	65 Å²	65	87.8 Å²	87.8	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-70.6	-29.5	178	-68.4	-59.3	0	0	0	113.1	F96 K98 F103 P104 F106 D107	F96-F100 HydrophobicContact CB-CD2 4.39Å; F96-F100 HydrophobicContact CB-CE2 4.29Å; F96-F100 AromaticContact CD1-CE2 3.88Å; F96-F100 HydrophobicContact CD1-CE2 3.88Å; F96-F100 HydrophobicContact CD1-CZ 4.47Å; F96-F100 WeakPolarHBondContact O-CD2 3.04Å; F96-F100 PolarHBondContact O-N 3.25Å; K98-F100 PolarHBondContact O-N 3.4Å; F100-F103 CarbonylContact O-C 3.34Å; F100-P104 VanDerWaalsContact O-CA 3.22Å; F100-P104 WeakPolarHBondContact O-CA 3Å; F100-P104 VanDerWaalsContact O-N 3.1Å; F100-F106 HydrophobicContact CD1-CB 4.22Å; F100-F106 HydrophobicContact CE1-CB 4.01Å; F100-F106 WeakPolarHBondContact CE1-O 3.42Å; F100-D107 HydrophobicContact CB-CB 4.3Å; F100-D107 HydrophobicContact CD1-CB 3.97Å; F100-D107 HydrophobicContact CG-CB 4.29Å
101	K	52.7	Low	43	Very low	169 Å²	169	92.3 Å²	92.3	74%	0.735	45%	0.448	S	S	*	.	H	α-helix	trans	-70	-31.4	171.5	-175.2	173.7	-179.6	177.4	0	112.7	H97 K98	H97-K101 WeakPolarHBondContact O-CB 3.41Å; H97-K101 PolarHBondContact O-N 3.32Å; K98-K101 CarbonylContact O-C 3.6Å; K98-K101 PolarHBondContact O-N 3.29Å
102	T	46	Very low	41.8	Very low	80 Å²	80	94.7 Å²	94.7	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-81.3	-31.9	174.2	-58.1	0	0	0	0	112.4	K98 F99	K98-T102 WeakPolarHBondContact O-CB 3.37Å; K98-T102 PolarHBondContact O-N 3.15Å; K98-T102 PolarHBondContact O-OG1 3.46Å; K98-T102 VanDerWaalsContact O-OG1 3.06Å; F99-T102 PolarHBondContact O-N 3.05Å
103	F	39.4	Very low	40.9	Very low	54 Å²	54	99.3 Å²	99.3	24%	0.237	49%	0.493	C	S	.	.			trans	-130.2	65.2	-176.7	-53.2	-68	0	0	0	112.1	V73 F99 F100 Q105 F106	V73-F103 HydrophobicContact CG1-CD2 4.42Å; V73-F103 HydrophobicContact CG1-CE2 3.73Å; V73-F103 HydrophobicContact CG1-CZ 3.82Å; F99-F103 AromaticContact CD2-CD2 3.86Å; F99-F103 HydrophobicContact CD2-CD2 3.86Å; F99-F103 HydrophobicContact CD2-CE2 4.16Å; F99-F103 AromaticContact CE2-CD2 3.81Å; F99-F103 HydrophobicContact CE2-CD2 3.81Å; F99-F103 HydrophobicContact CE2-CE2 4.12Å; F99-F103 HydrophobicContact CG-CD2 4.3Å; F99-F103 HydrophobicContact CZ-CD2 4.21Å; F99-F103 WeakPolarHBondContact O-CD2 3.4Å; F99-F103 PolarHBondContact O-N 2.9Å; F100-F103 CarbonylContact O-C 3.34Å; F103-Q105 PolarHBondContact O-N 3.16Å; F103-F106 HydrophobicContact CB-CD2 3.57Å; F103-F106 HydrophobicContact CB-CE2 3.93Å; F103-F106 HydrophobicContact CG-CD2 4.41Å; F103-F106 HydrophobicContact CG-CE2 4.38Å; F103-F106 PolarHBondContact O-N 3.46Å
104	P	45	Very low	39.9	Very low	87 Å²	87	98.6 Å²	98.6	57%	0.565	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-62.9	-16.1	-174.2	25.6	-35.6	0	0	0	114.1	F100 F106 D107	F100-P104 VanDerWaalsContact O-CA 3.22Å; F100-P104 WeakPolarHBondContact O-CA 3Å; F100-P104 VanDerWaalsContact O-N 3.1Å; P104-F106 PolarHBondContact O-N 2.62Å; P104-F106 VanDerWaalsContact O-N 3.17Å; P104-D107 PolarHBondContact O-N 2.91Å
105	Q	38.8	Very low	39	Very low	124 Å²	124	99 Å²	99	58%	0.579	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-63.6	-12.5	171.6	70.1	-84.1	16.3	0	0	114.4	F103	F103-Q105 PolarHBondContact O-N 3.16Å
106	F	39.2	Very low	37.8	Very low	37 Å²	37	105.8 Å²	105.8	16%	0.162	55%	0.545	C	S	.	.	G	3₁₀ helix	trans	-102.2	-7.9	175.9	-57.8	-54.5	0	0	0	114	T66 F99 F100 F103 P104 M108	T66-F106 WeakPolarHBondContact O-CE1 3.47Å; F99-F106 HydrophobicContact CE1-CB 4.49Å; F99-F106 HydrophobicContact CE1-CD2 4.1Å; F99-F106 HydrophobicContact CZ-CD2 4.17Å; F100-F106 HydrophobicContact CD1-CB 4.22Å; F100-F106 HydrophobicContact CE1-CB 4.01Å; F100-F106 WeakPolarHBondContact CE1-O 3.42Å; F103-F106 HydrophobicContact CB-CD2 3.57Å; F103-F106 HydrophobicContact CB-CE2 3.93Å; F103-F106 HydrophobicContact CG-CD2 4.41Å; F103-F106 HydrophobicContact CG-CE2 4.38Å; F103-F106 PolarHBondContact O-N 3.46Å; P104-F106 PolarHBondContact O-N 2.62Å; P104-F106 VanDerWaalsContact O-N 3.17Å; F106-M108 PolarHBondContact O-N 3.49Å
107	D	42.2	Very low	36.7	Very low	50 Å²	50	110.1 Å²	110.1	27%	0.267	57%	0.566	S	S	.	*			trans	-83.3	102.4	174	-170.9	-16.9	0	0	0	110.5	F100 P104 V109 Q110	F100-D107 HydrophobicContact CB-CB 4.3Å; F100-D107 HydrophobicContact CD1-CB 3.97Å; F100-D107 HydrophobicContact CG-CB 4.29Å; P104-D107 PolarHBondContact O-N 2.91Å; D107-V109 PolarHBondContact OD1-N 3.06Å; D107-Q110 PolarHBondContact OD1-N 3.22Å; D107-Q110 WeakPolarHBondContact OD2-CB 3.22Å; D107-Q110 VanDerWaalsContact OD2-CG 3.26Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.41Å
108	M	34.4	Very low	35.5	Very low	173 Å²	173	111.7 Å²	111.7	85%	0.852	58%	0.584	S	S	*	*			trans	-100.3	7.6	174	-63.8	-170.4	68.2	0	0	113.3	F106	F106-M108 PolarHBondContact O-N 3.49Å
109	V	27.7	Very low	34	Very low	112 Å²	112	112.3 Å²	112.3	68%	0.679	60%	0.599	S	S	*	*	S	Bend	trans	-119.3	-32.3	-162.4	-177.2	0	0	0	0	113.6	D107 K111	D107-V109 PolarHBondContact OD1-N 3.06Å; V109-K111 PolarHBondContact O-N 2.98Å
110	Q	30.5	Very low	32.9	Very low	136 Å²	136	117.2 Å²	117.2	64%	0.636	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-67.5	-6	-173.6	-84	-160.3	-1.5	0	0	116.7	D107 S112	D107-Q110 PolarHBondContact OD1-N 3.22Å; D107-Q110 WeakPolarHBondContact OD2-CB 3.22Å; D107-Q110 VanDerWaalsContact OD2-CG 3.26Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.41Å; Q110-S112 PolarHBondContact O-N 2.95Å
111	K	28.8	Very low	31.9	Very low	217 Å²	217	123 Å²	123	94%	0.943	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74.5	13.1	178.5	-81.2	-174.8	175.9	174.9	0	115.7	V109	V109-K111 PolarHBondContact O-N 2.98Å
112	S	23.7	Very low	30.5	Very low	100 Å²	100	125.9 Å²	125.9	70%	0.699	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-147.4	35.5	-179	52.2	0	0	0	0	115.5	Q110	Q110-S112 PolarHBondContact O-N 2.95Å
113	L	24.1	Very low	29.3	Very low	148 Å²	148	127.3 Å²	127.3	78%	0.775	68%	0.682	S	S	*	*			trans	-139.7	110.6	170.5	-142.3	80	0	0	0	112.1
114	P	23.6	Very low	28.7	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	71%	0.71	S	S	*	*			trans	-91.4	96.7	170.4	33.2	-28.5	0	0	0	110.3
115	S	28	Very low	27.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	72%	0.718	S	S	*	*			trans	-88.4	114.3	172	53.3	0	0	0	0	110.7	E117	S115-E117 PolarHBondContact O-N 2.96Å
116	Q	26.2	Very low	26.9	Very low	174 Å²	174	136.7 Å²	136.7	81%	0.813	73%	0.727	S	S	*	*			trans	-77.5	121.8	169	-73.8	-172.7	-87.7	0	0	110.9
117	E	22.7	Very low	26.2	Very low	156 Å²	156	143.1 Å²	143.1	73%	0.729	76%	0.762	S	S	*	*			trans	41.6	120.4	137	-63.8	169.9	-147.1	0	0	120.4	S115	S115-E117 PolarHBondContact O-N 2.96Å
118	T	25.7	Very low	25.2	Very low	147 Å²	147	146.7 Å²	146.7	90%	0.902	79%	0.785	S	S	*	*			trans	-116	116.8	135	53.2	0	0	0	0	108
119	S	20.9	Very low	24.7	Very low	103 Å²	103	147 Å²	147	72%	0.72	79%	0.787	S	S	*	*			trans	-104.9	102.4	-166	56.5	0	0	0	0	113.8
120	S	23.4	Very low	24.6	Very low	107 Å²	107	148.7 Å²	148.7	75%	0.748	79%	0.792	S	S	*	*			trans	-169.2	104.5	157.2	55.8	0	0	0	0	112.7
121	E	26.3	Very low	24.2	Very low	187 Å²	187	153.2 Å²	153.2	87%	0.874	80%	0.803	S	S	*	*				177.3	103.5	111.6	-93	-172.4	154	0	0	113.5
122	R	24.2	Very low	23.9	Very low	230 Å²	230	147 Å²	147	87%	0.868	80%	0.802	S	S	*	*			trans	28.6	114.4	144.7	-60.7	179.2	-179.9	-179.4	0.6	120.7
123	S	21.7	Very low	23.9	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	80%	0.801	S	S	*	*				58.2	117.7	128.7	-52.8	0	0	0	0	120.9
124	I	25.4	Very low	24	Very low	162 Å²	162	147.4 Å²	147.4	83%	0.831	81%	0.806	S	S	*	*				-154.9	167.4	102.2	-98.6	156.8	0	0	0	108.8
125	Q	23.6	Very low	24	Very low	156 Å²	156	150.4 Å²	150.4	73%	0.729	80%	0.804	S	S	*	*			trans	-77.7	178.2	-162.2	-65.1	125.3	-80	0	0	116.3
126	D	21.8	Very low	23.7	Very low	144 Å²	144	152.4 Å²	152.4	77%	0.77	81%	0.806	S	S	*	*			trans	71.8	100.6	158.3	-53.6	-30.9	0	0	0	119.2
127	L	24.8	Very low	23.7	Very low	171 Å²	171	151.2 Å²	151.2	90%	0.895	81%	0.805	S	S	*	*				-172.8	133.1	95.4	-96.7	168	0	0	0	112.4
128	T	22.1	Very low	23.7	Very low	125 Å²	125	150.3 Å²	150.3	77%	0.767	81%	0.805	S	S	*	*			trans	-96.9	141.5	164.5	45.7	0	0	0	0	110.2
129	M	24.5	Very low	23.7	Very low	180 Å²	180	149.6 Å²	149.6	89%	0.887	79%	0.794	S	S	*	*			trans	172.1	147.3	138.5	-95.9	-70.1	174.4	0	0	111.8
130	N	24	Very low	23.8	Very low	147 Å²	147	148 Å²	148	79%	0.786	78%	0.783	S	S	*	*			trans	-81.1	149.8	168.2	-70.1	-70.8	0	0	0	110.9
131	R	23.8	Very low	23.8	Very low	231 Å²	231	145.8 Å²	145.8	87%	0.872	76%	0.763	S	S	*	*			trans	-175.5	128.4	130.7	-102.1	160	-164.8	-168.1	8	113.9
132	G	22.1	Very low	23.8	Very low	88 Å²	88	140.5 Å²	140.5	91%	0.907	74%	0.737	S	S	*	*			trans	53.1	107.3	143.6	0	0	0	0	0	120.5
133	G	24.1	Very low	23.8	Very low	67 Å²	67	134.4 Å²	134.4	69%	0.691	72%	0.722	S	S	*	*			trans	-171.6	21.7	171.8	0	0	0	0	0	117.5	Y135	G133-Y135 PolarHBondContact O-N 2.79Å
134	Q	24.5	Very low	23.9	Very low	188 Å²	188	134.8 Å²	134.8	88%	0.879	72%	0.723	S	S	*	*			trans	-75.9	115.8	179.6	-77.9	176.2	-90.5	0	0	111.9
135	Y	24.6	Very low	23.8	Very low	182 Å²	182	131.1 Å²	131.1	71%	0.714	71%	0.711	S	S	*	*			trans	-96.2	112.6	163.8	-77.9	-88.1	0	0	0	109.8	G133 L137	G133-Y135 PolarHBondContact O-N 2.79Å; Y135-L137 VanDerWaalsContact C-N 3.31Å; Y135-L137 PolarHBondContact O-N 3.19Å
136	D	22.5	Very low	23.8	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	71%	0.711	S	S	*	*			trans	-72.9	78.3	178.8	-93.7	-28.4	0	0	0	112.8	N138	D136-N138 PolarHBondContact O-N 3.12Å
137	L	26.1	Very low	24.1	Very low	149 Å²	149	129.6 Å²	129.6	78%	0.78	71%	0.714	S	S	*	*			trans	-69.1	114.1	159.5	-72.4	175.4	0	0	0	108.9	Y135 I139	Y135-L137 VanDerWaalsContact C-N 3.31Å; Y135-L137 PolarHBondContact O-N 3.19Å; L137-I139 VanDerWaalsContact C-N 3.28Å; L137-I139 PolarHBondContact O-N 3.45Å
138	N	22.4	Very low	24.1	Very low	137 Å²	137	127.5 Å²	127.5	73%	0.733	71%	0.708	S	S	*	*			trans	-64.4	76.4	-175.6	-105.3	-101.9	0	0	0	113.3	D136 S140	D136-N138 PolarHBondContact O-N 3.12Å; N138-S140 PolarHBondContact O-N 2.98Å
139	I	25.5	Very low	24.3	Very low	132 Å²	132	129.7 Å²	129.7	68%	0.677	71%	0.714	S	S	*	*			trans	-87	84.6	167.7	-59.7	177.9	0	0	0	107.5	L137 D141	L137-I139 VanDerWaalsContact C-N 3.28Å; L137-I139 PolarHBondContact O-N 3.45Å; I139-D141 PolarHBondContact O-N 3.35Å
140	S	23.3	Very low	24.2	Very low	70 Å²	70	124 Å²	124	49%	0.49	70%	0.702	S	S	.	*			trans	-79.2	66.3	-179	67.9	0	0	0	0	112.7	N138	N138-S140 PolarHBondContact O-N 2.98Å
141	D	22.1	Very low	24.3	Very low	59 Å²	59	124 Å²	124	32%	0.316	71%	0.707	S	S	.	*			trans	-164.9	164	161.2	-95.1	-33.2	0	0	0	109.3	I139 R594	I139-D141 PolarHBondContact O-N 3.35Å; D141-R594 IonicContact OD2-CZ 3.61Å; D141-R594 VanDerWaalsContact OD2-CZ 3.29Å; D141-R594 IonicContact OD2-NH1 2.56Å; D141-R594 PolarHBondContact OD2-NH1 3.49Å; D141-R594 IonicContact OD2-NH2 3.88Å; D141-R594 PolarHBondContact OD2-NH2 2.88Å
142	F	26.3	Very low	24.3	Very low	76 Å²	76	119.6 Å²	119.6	33%	0.333	70%	0.7	S	S	.	*			trans	91.3	84	-172.4	-68.4	-96.9	0	0	0	117.2	G596 L597 K600	F142-G596 WeakPolarHBondContact CZ-O 3.49Å; F142-L597 HydrophobicContact CD1-CD2 3.8Å; F142-L597 HydrophobicContact CD2-CD2 4.16Å; F142-L597 HydrophobicContact CE1-CB 4.33Å; F142-L597 HydrophobicContact CE1-CD2 3.63Å; F142-L597 HydrophobicContact CE1-CG 4.31Å; F142-L597 HydrophobicContact CE2-CD2 4Å; F142-L597 HydrophobicContact CG-CD2 4.06Å; F142-L597 HydrophobicContact CZ-CB 4.41Å; F142-L597 HydrophobicContact CZ-CD2 3.74Å; F142-L597 HydrophobicContact CZ-CG 4.16Å; F142-K600 HydrophobicContact CD1-CB 4.41Å; F142-K600 HydrophobicContact CD1-CD 3.98Å; F142-K600 HydrophobicContact CD2-CD 4.43Å; F142-K600 HydrophobicContact CE1-CB 3.66Å; F142-K600 HydrophobicContact CE1-CD 3.48Å; F142-K600 VanDerWaalsContact CE1-CD 3.48Å; F142-K600 HydrophobicContact CE1-CG 3.71Å; F142-K600 HydrophobicContact CE2-CD 4.01Å; F142-K600 HydrophobicContact CG-CD 4.42Å; F142-K600 HydrophobicContact CZ-CB 4.22Å; F142-K600 HydrophobicContact CZ-CD 3.5Å; F142-K600 VanDerWaalsContact CZ-CE 3.49Å; F142-K600 HydrophobicContact CZ-CG 3.76Å
143	N	24.7	Very low	24.6	Very low	103 Å²	103	121.4 Å²	121.4	55%	0.551	70%	0.696	S	S	*	*				46.8	107.6	127.7	-52.7	-5.8	0	0	0	119.3
144	C	24.1	Very low	24.6	Very low	118 Å²	118	122.7 Å²	122.7	80%	0.797	70%	0.695	S	S	*	*			trans	-114.6	128	139.3	-157.2	0	0	0	0	108.5
145	S	22.8	Very low	25.1	Very low	84 Å²	84	119.3 Å²	119.3	59%	0.587	69%	0.689	S	S	*	*			trans	-158.9	118.5	176.3	-63.5	0	0	0	0	109.6	R590	S145-R590 PolarHBondContact O-NH2 3.5Å
146	N	24.7	Very low	25.3	Very low	135 Å²	135	116.2 Å²	116.2	72%	0.722	69%	0.694	S	S	*	*			trans	93.9	89.8	-176.6	-55.1	19.8	0	0	0	115.5	R590	N146-R590 PolarHBondContact ND2-NH2 2.82Å; N146-R590 PolarHBondContact OD1-NH2 2.89Å
147	T	26.7	Very low	25.5	Very low	134 Å²	134	116.3 Å²	116.3	82%	0.822	69%	0.694	S	S	*	*			trans	-144	94.5	142.2	-13.6	0	0	0	0	110.5
148	T	25.2	Very low	25.7	Very low	127 Å²	127	118.4 Å²	118.4	78%	0.779	70%	0.697	S	S	*	*			trans	-99.1	157.4	147.6	42	0	0	0	0	106.5
149	L	25.9	Very low	26	Very low	170 Å²	170	117.1 Å²	117.1	89%	0.89	70%	0.699	S	S	*	*			cis	-158.1	158.4	16.6	-137.4	161.1	0	0	0	109.1
150	G	22.8	Very low	26	Very low	62 Å²	62	116 Å²	116	64%	0.639	70%	0.703	S	S	*	*			trans	103.7	138.9	174.2	0	0	0	0	0	113.3
151	T	27.3	Very low	26.4	Very low	145 Å²	145	117.7 Å²	117.7	89%	0.89	71%	0.712	S	S	*	*			cis	-143.3	144.8	9.7	-53.1	0	0	0	0	110.5
152	L	23.1	Very low	26.6	Very low	139 Å²	139	126.4 Å²	126.4	73%	0.728	74%	0.742	S	S	*	*			trans	-90.3	157	172.9	-82.4	167.2	0	0	0	111.5
153	P	27.3	Very low	26.5	Very low	127 Å²	127	128.7 Å²	128.7	83%	0.825	76%	0.758	S	S	*	*				-121.5	168.9	107.6	-3.7	24	0	0	0	114.5
154	S	25.7	Very low	26.6	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	77%	0.772	S	S	*	*			trans	-121.1	-165.4	-172.6	-53.8	0	0	0	0	110.6
155	P	34.2	Very low	26.6	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	77%	0.768	S	S	*	*				-129.2	-179.9	-69.2	37.4	-22.1	0	0	0	113
156	S	28.3	Very low	26.6	Very low	117 Å²	117	132.7 Å²	132.7	82%	0.818	78%	0.778	S	S	*	*			trans	-155.5	115.5	156.9	-58.9	0	0	0	0	112.6
157	D	27.9	Very low	26.5	Very low	148 Å²	148	131.2 Å²	131.2	79%	0.791	78%	0.777	S	S	*	*			trans	18	141.9	150.9	-44.5	-32.5	0	0	0	121
158	K	29.4	Very low	26.4	Very low	193 Å²	193	135.4 Å²	135.4	84%	0.839	78%	0.779	S	S	*	*			cis	-154.5	150.6	47.6	-72.6	169.6	-179.8	172.4	0	115.4
159	S	28.7	Very low	26.2	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	77%	0.773	S	S	*	*			trans	54.4	82.7	149.8	60.5	0	0	0	0	121.6
160	S	24.8	Very low	26.3	Very low	109 Å²	109	135 Å²	135	76%	0.762	77%	0.774	S	S	*	*				15.4	151.6	102.2	-166.8	0	0	0	0	119.9
161	P	33.1	Very low	26.3	Very low	105 Å²	105	139.5 Å²	139.5	68%	0.682	78%	0.784	S	S	*	*			cis	-134.6	165.6	-22.6	32.7	-14.4	0	0	0	115.8
162	Y	26.3	Very low	26	Very low	243 Å²	243	139.5 Å²	139.5	95%	0.953	78%	0.777	S	S	*	*			trans	-144.6	134.1	132.5	-129.4	-83.2	0	0	0	108.1
163	D	24.1	Very low	26.3	Very low	124 Å²	124	140 Å²	140	66%	0.663	79%	0.785	S	S	*	*			trans	-124.6	149.3	-170.5	-170.9	6.5	0	0	0	110.9
164	S	25.6	Very low	26.2	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	78%	0.778	S	S	*	*			trans	-172.8	89.4	163.9	50.9	0	0	0	0	109.5
165	T	25.1	Very low	26.3	Very low	117 Å²	117	140.5 Å²	140.5	72%	0.718	78%	0.778	S	S	*	*			trans	-104.7	133.3	172	35.7	0	0	0	0	112.8
166	L	23.4	Very low	26.2	Very low	152 Å²	152	142.5 Å²	142.5	80%	0.796	77%	0.774	S	S	*	*			trans	28.5	119.4	150.5	-65.9	164.7	0	0	0	121
167	C	21.5	Very low	26.1	Very low	103 Å²	103	144.8 Å²	144.8	70%	0.696	78%	0.778	S	S	*	*			trans	57.3	120.8	133.9	-56.7	0	0	0	0	120.5
168	Y	24.1	Very low	26	Very low	222 Å²	222	140.9 Å²	140.9	87%	0.871	77%	0.772	S	S	*	*				-159.9	174.1	89	-124.7	-97.9	0	0	0	113.3
169	S	22.8	Very low	26	Very low	94 Å²	94	142 Å²	142	66%	0.657	77%	0.773	S	S	*	*			trans	-55.4	151.3	-174.4	57.5	0	0	0	0	117.4
170	Q	26.4	Very low	25.9	Very low	196 Å²	196	143.9 Å²	143.9	92%	0.916	77%	0.769	S	S	*	*				-133.2	146.4	129	-94.2	-174.1	-2.1	0	0	110.2
171	N	22.5	Very low	26	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	77%	0.766	S	S	*	*			trans	-155	162.3	172.8	-144.1	-8.5	0	0	0	108.4
172	I	22.6	Very low	25.5	Very low	145 Å²	145	146.2 Å²	146.2	74%	0.744	76%	0.764	S	S	*	*			trans	80.3	94.8	-175.7	-47.1	167.5	0	0	0	115.1
173	V	28.2	Very low	25.4	Very low	148 Å²	148	140.6 Å²	140.6	90%	0.897	75%	0.751	S	S	*	*				-124.3	143.6	120.3	177.3	0	0	0	0	106.7
174	T	25	Very low	25.5	Very low	111 Å²	111	141.8 Å²	141.8	68%	0.681	75%	0.752	S	S	*	*			trans	-88.6	139.7	-175.2	48.9	0	0	0	0	112.6
175	D	28.8	Very low	25.6	Very low	122 Å²	122	142.5 Å²	142.5	65%	0.652	74%	0.742	S	S	*	*				-169.9	154.1	113.5	-124.6	-18.2	0	0	0	116.4
176	K	31.2	Very low	25.5	Very low	157 Å²	157	144 Å²	144	68%	0.683	74%	0.743	S	S	*	*			trans	50	100	151.3	-70.2	149.4	-171.4	150.1	0	121.8
177	N	26.7	Very low	25.6	Very low	166 Å²	166	142.8 Å²	142.8	89%	0.888	74%	0.738	S	S	*	*				34.3	129.8	115.4	-52.8	-9.1	0	0	0	120.8
178	G	26.5	Very low	25.7	Very low	66 Å²	66	143.7 Å²	143.7	68%	0.68	74%	0.735	S	S	*	*			trans	144.3	99.6	130.9	0	0	0	0	0	120.2
179	Y	28	Very low	25.9	Very low	216 Å²	216	139.7 Å²	139.7	85%	0.847	74%	0.735	S	S	*	*			trans	45.3	114	138.3	-69	-82.7	0	0	0	123.5
180	H	28	Very low	26.2	Very low	150 Å²	150	142.3 Å²	142.3	69%	0.694	74%	0.736	S	S	*	*				74	124.1	125	-87.3	-130.2	0	0	0	123.7
181	M	26.8	Very low	26.3	Very low	139 Å²	139	140.1 Å²	140.1	69%	0.685	73%	0.729	S	S	*	*			trans	71.4	107.1	132.4	-61.6	-62.1	176.6	0	0	121.9
182	N	23.3	Very low	26.4	Very low	123 Å²	123	140 Å²	140	66%	0.658	72%	0.724	S	S	*	*				40.7	129.7	108.5	-72.8	4.5	0	0	0	121.2
183	N	23.3	Very low	26.5	Very low	126 Å²	126	141.6 Å²	141.6	67%	0.674	73%	0.728	S	S	*	*			trans	69.7	159.9	136.6	-60.8	12.7	0	0	0	116.5
184	Q	26.6	Very low	26.3	Very low	148 Å²	148	138.8 Å²	138.8	69%	0.692	72%	0.72	S	S	*	*			cis	-157.6	160.6	-11.9	-117.8	166.7	-81.6	0	0	106.1
185	Q	27.2	Very low	26.2	Very low	135 Å²	135	141 Å²	141	63%	0.631	73%	0.728	S	S	*	*			cis	-152.2	174.1	5.3	-161.8	174.8	-88.1	0	0	110.2	N187	Q185-N187 PolarHBondContact NE2-OD1 3.35Å
186	M	22.8	Very low	26	Very low	149 Å²	149	143.5 Å²	143.5	73%	0.734	74%	0.736	S	S	*	*			trans	-29.7	159.4	143.9	-44.5	-70.4	-154.6	0	0	115.6
187	N	25.6	Very low	25.7	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	74%	0.744	S	S	*	*				-162.9	153.9	101.4	-104.4	35.3	0	0	0	111.5	Q185	Q185-N187 PolarHBondContact NE2-OD1 3.35Å
188	D	24.3	Very low	25.6	Very low	121 Å²	121	148 Å²	148	65%	0.647	74%	0.743	S	S	*	*			trans	-94.3	178.6	-175.9	-56.3	-93.9	0	0	0	112.6	E190	D188-E190 HydrophobicContact CB-CG 4.39Å
189	T	27.8	Very low	25.5	Very low	139 Å²	139	148 Å²	148	85%	0.853	74%	0.744	S	S	*	*			trans	-127	99.6	149.3	50.3	0	0	0	0	105.6
190	E	27.9	Very low	25.3	Very low	149 Å²	149	144.4 Å²	144.4	70%	0.696	75%	0.745	S	S	*	*				62.2	114.7	54.9	-61.6	-161.2	138.2	0	0	114.7	D188	D188-E190 HydrophobicContact CB-CG 4.39Å
191	I	29.2	Very low	25	Very low	150 Å²	150	141.3 Å²	141.3	77%	0.769	74%	0.74	S	S	*	*				-171.5	104	129.2	-92.8	156.9	0	0	0	102.5
192	E	25.7	Very low	24.8	Very low	154 Å²	154	142 Å²	142	72%	0.72	75%	0.746	S	S	*	*				65.8	136.8	87.1	-69.3	-177.5	145.4	0	0	112.1
193	E	23.5	Very low	24.8	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	75%	0.748	S	S	*	*			cis	-156.7	-164.2	13.2	-141.2	-166.2	164.5	0	0	111.9
194	A	24.6	Very low	24.7	Very low	89 Å²	89	145 Å²	145	74%	0.736	76%	0.755	S	S	*	*			trans	92.4	134.1	164.4	0	0	0	0	0	119.4
195	N	21.8	Very low	24.6	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	76%	0.76	S	S	*	*			trans	-93.3	-166.5	174.4	-75.2	-86.9	0	0	0	110.9
196	E	24.6	Very low	24.3	Very low	174 Å²	174	147 Å²	147	81%	0.813	76%	0.763	S	S	*	*			trans	81.7	102.5	168	-50	-164.5	146.6	0	0	117.6
197	F	26.4	Very low	24.3	Very low	195 Å²	195	146.8 Å²	146.8	86%	0.855	77%	0.765	S	S	*	*				-158.1	143.2	91.4	-129.9	-99.4	0	0	0	113.3
198	Y	23.5	Very low	24.2	Very low	222 Å²	222	148.3 Å²	148.3	87%	0.871	77%	0.766	S	S	*	*			trans	-113.5	149.3	172.9	-110.6	-89.8	0	0	0	109.8
199	G	25.4	Very low	24.1	Very low	68 Å²	68	148.2 Å²	148.2	70%	0.701	77%	0.77	S	S	*	*			trans	120.6	142.7	170.1	0	0	0	0	0	113.6
200	T	22.6	Very low	23.9	Very low	140 Å²	140	146.3 Å²	146.3	86%	0.859	76%	0.755	S	S	*	*	S	Bend	cis	-90.8	110.5	11	53.5	0	0	0	0	114
201	S	22.9	Very low	23.6	Very low	85 Å²	85	143.7 Å²	143.7	59%	0.594	75%	0.753	S	S	*	*			trans	-131.3	105.4	153.5	-173.2	0	0	0	0	106.5	H203	S201-H203 PolarHBondContact O-N 2.97Å
202	D	21.5	Very low	23.2	Very low	154 Å²	154	143 Å²	143	82%	0.824	75%	0.75	S	S	*	*			trans	-75.8	71.3	-176	-77	-45.3	0	0	0	111.5
203	H	23.1	Very low	23.1	Very low	151 Å²	151	145.5 Å²	145.5	70%	0.699	75%	0.754	S	S	*	*			trans	-107.7	70.9	172.1	-103.8	-30.6	0	0	0	112	S201 K205	S201-H203 PolarHBondContact O-N 2.97Å; H203-K205 PolarHBondContact O-N 3.45Å
204	I	22.7	Very low	23	Very low	160 Å²	160	142.9 Å²	142.9	82%	0.821	75%	0.751	S	S	*	*			trans	-64.1	99.2	161	-61.2	177.8	0	0	0	108.3
205	K	23.5	Very low	22.9	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	75%	0.75	S	S	*	*			trans	-121.3	80.5	172.1	-109.6	-172.2	179	177.6	0	110	H203	H203-K205 PolarHBondContact O-N 3.45Å
206	M	22.3	Very low	23	Very low	143 Å²	143	144.7 Å²	144.7	70%	0.704	75%	0.751	S	S	*	*			trans	-174.4	87.9	138.8	-85.8	-117.2	-167.6	0	0	110
207	N	22.2	Very low	23	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	75%	0.745	S	S	*	*			trans	-117.3	106.1	135.4	-98.3	-24.3	0	0	0	106.1
208	K	23.2	Very low	22.8	Very low	159 Å²	159	135.5 Å²	135.5	69%	0.691	73%	0.728	S	S	*	*			trans	-68.1	167.5	157.8	-71.2	176.6	178	175.1	0	107.9
209	T	22.1	Very low	22.7	Very low	120 Å²	120	133 Å²	133	74%	0.736	73%	0.73	S	S	*	*			trans	53.1	76.4	-179.6	62	0	0	0	0	115.6
210	N	23.2	Very low	22.6	Very low	99 Å²	99	134.4 Å²	134.4	53%	0.529	73%	0.725	S	S	.	*				-144.2	130.7	116.3	-133.9	0.6	0	0	0	110.7	P478 I480	N210-P478 WeakPolarHBondContact ND2-CB 3.39Å; N210-I480 WeakPolarHBondContact ND2-CD1 3.47Å; N210-I480 WeakPolarHBondContact OD1-CD1 3.26Å
211	S	22	Very low	22.7	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	72%	0.715	S	S	*	*			trans	-98.1	125.4	-173.5	179.9	0	0	0	0	110.7
212	L	21.3	Very low	22.8	Very low	137 Å²	137	136.1 Å²	136.1	72%	0.717	73%	0.725	S	S	*	*			trans	166.9	142.7	130.6	-88.1	159.8	0	0	0	110.7
213	Y	22.8	Very low	22.9	Very low	206 Å²	206	135.4 Å²	135.4	81%	0.808	72%	0.721	S	S	*	*			trans	68.3	56.3	173.8	-63	-72.5	0	0	0	119.1
214	T	21.5	Very low	22.9	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	71%	0.713	S	S	*	*				-12.7	142.1	108.5	41.3	0	0	0	0	115.9
215	I	23.3	Very low	22.9	Very low	142 Å²	142	131 Å²	131	73%	0.728	71%	0.709	S	S	*	*			cis	-146.3	145.7	13.9	-56	179.1	0	0	0	111.1
216	V	23.7	Very low	22.9	Very low	143 Å²	143	130.7 Å²	130.7	87%	0.867	70%	0.704	S	S	*	*			trans	-136	117.6	142.1	173.1	0	0	0	0	105.7
217	P	23.9	Very low	22.9	Very low	104 Å²	104	130.3 Å²	130.3	68%	0.675	71%	0.705	S	S	*	*				-143.5	-162.9	93.3	44.8	-27.9	0	0	0	110.9
218	S	22.2	Very low	22.9	Very low	71 Å²	71	129.9 Å²	129.9	50%	0.497	70%	0.701	S	S	.	*			cis	-156.8	165	12.7	44.9	0	0	0	0	112.5	T220	S218-T220 PolarHBondContact O-N 3.5Å; S218-T220 PolarHBondContact OG-OG1 3.02Å
219	D	22.1	Very low	22.9	Very low	170 Å²	170	129.3 Å²	129.3	91%	0.909	71%	0.706	S	S	*	*	S	Bend	trans	-70.5	49.6	175.6	-60.7	-85.7	0	0	0	114.9
220	T	23.8	Very low	22.8	Very low	98 Å²	98	130 Å²	130	60%	0.601	71%	0.705	S	S	*	*			trans	-119	13.2	-174.2	42.5	0	0	0	0	114.7	S218	S218-T220 PolarHBondContact O-N 3.5Å; S218-T220 PolarHBondContact OG-OG1 3.02Å
221	V	24	Very low	22.7	Very low	108 Å²	108	132.7 Å²	132.7	66%	0.655	72%	0.719	S	S	*	*	S	Bend	trans	-106.6	-22.6	178.5	-176.5	0	0	0	0	112.9	N223	V221-N223 PolarHBondContact O-N 3.17Å
222	L	25.7	Very low	22.7	Very low	153 Å²	153	136 Å²	136	80%	0.801	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-12	-174.4	-134.2	78.2	0	0	0	115.3
223	N	22.7	Very low	22.7	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-9.9	177.6	-81.1	-7.1	0	0	0	114	V221	V221-N223 PolarHBondContact O-N 3.17Å
224	S	22.4	Very low	22.6	Very low	77 Å²	77	139.1 Å²	139.1	54%	0.538	74%	0.736	S	S	.	*	S	Bend	trans	-87.4	-9.5	-175.9	-52.1	0	0	0	0	114.1
225	I	23.6	Very low	22.6	Very low	141 Å²	141	139.9 Å²	139.9	72%	0.723	74%	0.736	S	S	*	*	S	Bend	trans	-93.8	-13.3	177.1	-65.2	175.1	0	0	0	111.5
226	Y	23.2	Very low	22.5	Very low	174 Å²	174	143.9 Å²	143.9	68%	0.682	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-4.9	-177	-107.8	-76.6	0	0	0	115.3
227	N	22.2	Very low	22.3	Very low	136 Å²	136	148.9 Å²	148.9	73%	0.727	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	18.5	-170.3	-90.8	3.2	0	0	0	115
228	I	21.3	Very low	22.2	Very low	135 Å²	135	149.3 Å²	149.3	69%	0.692	75%	0.752	S	S	*	*	S	Bend	trans	-109.4	-13.1	-177	-67.6	177.9	0	0	0	113
229	N	23.5	Very low	22.4	Very low	148 Å²	148	151 Å²	151	79%	0.791	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	1.2	-169.5	-136.7	36.3	0	0	0	115.7
230	D	20.6	Very low	22.3	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-5.4	-176.1	-75.8	-55.4	0	0	0	114.9
231	N	21.1	Very low	22.2	Very low	155 Å²	155	150 Å²	150	83%	0.829	75%	0.752	S	S	*	*	S	Bend	trans	-104.3	9.3	-175	-82.2	-38.8	0	0	0	115.6
232	I	22.7	Very low	22	Very low	163 Å²	163	152 Å²	152	84%	0.836	75%	0.751	S	S	*	*			trans	-119.5	69.5	171.6	-49.9	-177.3	0	0	0	109.3
233	R	20.8	Very low	21.9	Very low	232 Å²	232	152.5 Å²	152.5	88%	0.875	75%	0.754	S	S	*	*			trans	-138.9	46.4	177.1	-151.1	179.5	-169.9	-176	3.4	113.1
234	Q	20.8	Very low	21.9	Very low	176 Å²	176	150.6 Å²	150.6	82%	0.822	75%	0.747	S	S	*	*			trans	-148.2	97.6	168.9	-109.8	155.7	88.1	0	0	108
235	D	20.2	Very low	21.9	Very low	138 Å²	138	152 Å²	152	74%	0.738	75%	0.749	S	S	*	*				166.5	168.1	112.1	-86.7	-19.9	0	0	0	113.2
236	Y	21.8	Very low	21.9	Very low	225 Å²	225	154.4 Å²	154.4	88%	0.882	76%	0.757	S	S	*	*			trans	73.6	134.9	179.5	-66.3	-80.9	0	0	0	118.3
237	R	20.8	Very low	21.7	Very low	249 Å²	249	154.3 Å²	154.3	94%	0.94	76%	0.76	S	S	*	*			trans	-109.6	162	-170.2	-60	175.7	172.8	-172.3	-2.1	111.2
238	S	20.3	Very low	22.2	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	76%	0.756	S	S	*	*			trans	-62.6	176.6	152.5	-128.3	0	0	0	0	111.3
239	P	26.9	Very low	22.2	Very low	105 Å²	105	153.6 Å²	153.6	68%	0.682	76%	0.757	S	S	*	*			cis	-133.4	-146.8	17.9	30.7	-2.8	0	0	0	112.1
240	T	19.4	Very low	22.1	Very low	105 Å²	105	154 Å²	154	64%	0.644	75%	0.754	S	S	*	*			cis	-166.6	145.6	11.6	-6.4	0	0	0	0	111.4
241	E	21.6	Very low	22	Very low	144 Å²	144	151.9 Å²	151.9	67%	0.673	75%	0.749	S	S	*	*			trans	66.3	163.3	145	-65.9	-173.9	173.7	0	0	120.6
242	K	21.1	Very low	22	Very low	148 Å²	148	151.9 Å²	151.9	64%	0.643	74%	0.744	S	S	*	*			cis	-161.9	157.4	-18.9	-113.8	168.9	-164.8	150.4	0	109.9
243	L	23.2	Very low	21.9	Very low	164 Å²	164	151.2 Å²	151.2	86%	0.859	74%	0.737	S	S	*	*			trans	138.1	89.6	153.5	-79.2	168.5	0	0	0	109.5
244	V	22.8	Very low	21.9	Very low	100 Å²	100	145.9 Å²	145.9	61%	0.606	73%	0.726	S	S	*	*				74.7	88.9	64.4	-175.9	0	0	0	0	113.3
245	N	22.3	Very low	21.9	Very low	107 Å²	107	143.8 Å²	143.8	57%	0.572	72%	0.721	S	S	*	*			trans	40.7	136.6	130.6	-45.2	-39.5	0	0	0	120.4
246	H	23.4	Very low	22	Very low	191 Å²	191	145.3 Å²	145.3	88%	0.884	72%	0.723	S	S	*	*				-143.6	165.4	106.8	-104.8	55.4	0	0	0	109.7
247	F	19.8	Very low	22.2	Very low	172 Å²	172	143.4 Å²	143.4	75%	0.754	72%	0.722	S	S	*	*			trans	-135.8	-174.1	-166.5	-122.2	-40.8	0	0	0	110.7
248	P	30.9	Very low	22.3	Very low	98 Å²	98	136.4 Å²	136.4	64%	0.636	71%	0.712	S	S	*	*			trans	-106.4	-175.9	-138.7	43.2	-29.8	0	0	0	114
249	H	22.9	Very low	22.5	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.727	71%	0.713	S	S	*	*			trans	-172.7	142.2	141.1	-98.9	-71.4	0	0	0	112.3
250	H	21.2	Very low	22.5	Very low	156 Å²	156	139.9 Å²	139.9	72%	0.722	72%	0.716	S	S	*	*			trans	49.4	157.5	147.2	-62.5	-45.7	0	0	0	122.2
251	C	18.9	Very low	22.8	Very low	92 Å²	92	142.8 Å²	142.8	62%	0.622	72%	0.722	S	S	*	*			cis	-165.6	155.9	-26.6	-112.7	0	0	0	0	110.4
252	Q	20	Very low	23.1	Very low	155 Å²	155	144.3 Å²	144.3	72%	0.724	73%	0.729	S	S	*	*			trans	57	131	144.9	-77.3	-177.4	-70.7	0	0	123.6
253	H	21.2	Very low	23.5	Very low	149 Å²	149	143.3 Å²	143.3	69%	0.69	73%	0.726	S	S	*	*			trans	61	149.6	146.8	-69.2	-74.9	0	0	0	118.9
254	D	20.6	Very low	23.7	Very low	120 Å²	120	139.2 Å²	139.2	64%	0.642	72%	0.716	S	S	*	*			cis	-153.2	160.4	2.9	-117.5	-24	0	0	0	113.2
255	N	20.8	Very low	23.9	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	71%	0.714	S	S	*	*			trans	53.2	136	149.4	-71.8	-18.6	0	0	0	126.5
256	E	21.5	Very low	24.1	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	71%	0.712	S	S	*	*			trans	86	150.3	138.5	-80.2	180	-154.4	0	0	123.5
257	Q	26.4	Very low	24.4	Very low	184 Å²	184	135.9 Å²	135.9	86%	0.86	70%	0.699	S	S	*	*			trans	70	137.4	-179.8	-53.9	-177.6	12.3	0	0	116.8
258	S	24.2	Very low	24.6	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	69%	0.69	S	S	*	*			cis	-158.3	166	-19.8	55.3	0	0	0	0	111.5
259	N	24.5	Very low	24.3	Very low	155 Å²	155	132.5 Å²	132.5	83%	0.829	69%	0.688	S	S	*	*			trans	-6.9	121.6	167.2	-53.6	-29.4	0	0	0	118.9
260	D	25.9	Very low	24.4	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	69%	0.688	S	S	*	*			trans	-163.2	-18	145	-122.7	-19.8	0	0	0	117.8	H262 H263	D260-H262 PolarHBondContact O-N 3.43Å; D260-H263 PolarHBondContact O-N 3.01Å; D260-H263 VanDerWaalsContact O-N 3.13Å
261	E	26.6	Very low	24.7	Very low	167 Å²	167	135.2 Å²	135.2	78%	0.78	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-14.9	-173.3	-69.9	-151.6	113.5	0	0	115.4
262	H	27.6	Very low	24.9	Very low	175 Å²	175	134.7 Å²	134.7	81%	0.81	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-10.1	179	-114.8	-73.1	0	0	0	115.3	D260	D260-H262 PolarHBondContact O-N 3.43Å
263	H	29	Very low	25.2	Very low	128 Å²	128	134.3 Å²	134.3	59%	0.593	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-29.7	-179.8	-147.3	70.6	0	0	0	113.4	D260 I265 N266	D260-H263 PolarHBondContact O-N 3.01Å; D260-H263 VanDerWaalsContact O-N 3.13Å; H263-I265 VanDerWaalsContact C-N 3.31Å; H263-I265 PolarHBondContact O-N 2.81Å; H263-N266 PolarHBondContact O-N 2.91Å
264	A	26.8	Very low	25.4	Very low	77 Å²	77	135.3 Å²	135.3	64%	0.636	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-28.6	-174.6	0	0	0	0	0	114.6
265	I	27.6	Very low	25.6	Very low	111 Å²	111	138.9 Å²	138.9	57%	0.569	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-36.1	-177.9	-64.2	176.8	0	0	0	111.3	H263 L267 S268	H263-I265 VanDerWaalsContact C-N 3.31Å; H263-I265 PolarHBondContact O-N 2.81Å; I265-L267 PolarHBondContact O-N 3.02Å; I265-S268 PolarHBondContact O-N 3.01Å; I265-S268 PolarHBondContact O-OG 3.43Å
266	N	26.7	Very low	25.8	Very low	99 Å²	99	141 Å²	141	53%	0.529	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-13.1	-174.2	-88.3	-29	0	0	0	115.2	H263 S268	H263-N266 PolarHBondContact O-N 2.91Å; N266-S268 VanDerWaalsContact C-N 3.34Å
267	L	29.1	Very low	26	Very low	118 Å²	118	139.3 Å²	139.3	62%	0.618	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-21.5	172.1	-105.3	71.6	0	0	0	113.1	I265 M269 K270	I265-L267 PolarHBondContact O-N 3.02Å; L267-M269 VanDerWaalsContact C-N 3.3Å; L267-M269 PolarHBondContact O-N 3.06Å; L267-K270 PolarHBondContact O-N 3Å
268	S	25.4	Very low	26	Very low	81 Å²	81	138.1 Å²	138.1	57%	0.566	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-64.7	-34.9	175.5	69.6	0	0	0	0	112.6	I265 N266 K270	I265-S268 PolarHBondContact O-N 3.01Å; I265-S268 PolarHBondContact O-OG 3.43Å; N266-S268 VanDerWaalsContact C-N 3.34Å; S268-K270 VanDerWaalsContact C-N 3.28Å; S268-K270 PolarHBondContact O-N 3.03Å
269	M	23.7	Very low	26.1	Very low	118 Å²	118	136.5 Å²	136.5	58%	0.581	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-85.8	15	-178.8	-67	-170.3	-96	0	0	114.3	L267 T272	L267-M269 VanDerWaalsContact C-N 3.3Å; L267-M269 PolarHBondContact O-N 3.06Å; M269-T272 PolarHBondContact O-OG1 3.5Å; M269-T272 VanDerWaalsContact O-OG1 3.06Å
270	K	25.8	Very low	26.2	Very low	170 Å²	170	135.6 Å²	135.6	74%	0.739	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-107.3	0	171.6	-80.3	-172.3	173.4	179.9	0	114.9	L267 S268	L267-K270 PolarHBondContact O-N 3Å; S268-K270 VanDerWaalsContact C-N 3.28Å; S268-K270 PolarHBondContact O-N 3.03Å
271	K	26.6	Very low	26.3	Very low	201 Å²	201	131.6 Å²	131.6	87%	0.874	69%	0.687	S	S	*	*	S	Bend	trans	-93.6	4.1	169.2	-102.6	-177.2	176.2	179.6	0	114.5
272	T	24.1	Very low	26.4	Very low	80 Å²	80	131.9 Å²	131.9	49%	0.491	69%	0.688	S	S	.	*			trans	-87.5	0.4	180	37.1	0	0	0	0	114.6	M269 L274	M269-T272 PolarHBondContact O-OG1 3.5Å; M269-T272 VanDerWaalsContact O-OG1 3.06Å; T272-L274 PolarHBondContact O-N 3.26Å
273	N	24.5	Very low	26.4	Very low	147 Å²	147	128 Å²	128	79%	0.786	68%	0.681	S	S	*	*			trans	-95.6	32.2	-179.9	-77.2	7.1	0	0	0	114.4
274	L	25.8	Very low	26.5	Very low	171 Å²	171	126.4 Å²	126.4	90%	0.895	67%	0.674	S	S	*	*			trans	-112.1	40.6	161.1	-97.5	99.6	0	0	0	111.7	T272	T272-L274 PolarHBondContact O-N 3.26Å
275	F	25.2	Very low	26.6	Very low	195 Å²	195	126.5 Å²	126.5	86%	0.855	66%	0.662	S	S	*	*			trans	-96.8	79.3	162.9	-86.9	-77.9	0	0	0	110.2
276	Q	25.2	Very low	26.6	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	67%	0.669	S	S	*	*			trans	-127.1	114.1	162.1	-74.9	-172.5	-28.8	0	0	109.7
277	T	25.4	Very low	26.9	Very low	134 Å²	134	129.2 Å²	129.2	82%	0.822	68%	0.675	S	S	*	*			trans	39.5	99	156.9	51.3	0	0	0	0	118.2	P279	T277-P279 WeakPolarHBondContact O-CD 3.27Å
278	I	26.9	Very low	27.1	Very low	158 Å²	158	129.5 Å²	129.5	81%	0.81	67%	0.672	S	S	*	*			trans	-72.9	120.9	153.4	-58.6	173.6	0	0	0	107.1
279	P	25.5	Very low	27.3	Very low	68 Å²	68	130.9 Å²	130.9	44%	0.442	67%	0.674	S	S	.	*			trans	-66.8	137.7	178.1	26.8	-33.2	0	0	0	110.6	T277 E284	T277-P279 WeakPolarHBondContact O-CD 3.27Å; P279-E284 HydrophobicContact CB-CB 3.63Å; P279-E284 HydrophobicContact CB-CG 4.45Å
280	T	27.4	Very low	27.7	Very low	137 Å²	137	131.7 Å²	131.7	84%	0.84	68%	0.68	S	S	*	*			trans	-105.2	-1	-177.3	55.1	0	0	0	0	113.3	E284	T280-E284 PolarHBondContact N-OE2 3.1Å
281	S	27.9	Very low	27.9	Very low	51 Å²	51	131.4 Å²	131.4	36%	0.357	68%	0.681	S	S	.	*	S	Bend	trans	-130.2	152.4	177.5	75	0	0	0	0	112.9	S283 E284	S281-S283 PolarHBondContact O-N 2.96Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.08Å; S281-E284 PolarHBondContact O-N 2.83Å; S281-E284 VanDerWaalsContact OG-CD 3.31Å; S281-E284 WeakPolarHBondContact OG-CG 3.46Å; S281-E284 PolarHBondContact OG-OE2 2.92Å
282	Q	27.9	Very low	28.4	Very low	173 Å²	173	125 Å²	125	81%	0.808	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-12.8	177.6	-159.3	171.6	10.5	0	0	113.1
283	S	28.9	Very low	28.6	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-35.9	178.1	-165	0	0	0	0	112.7	S281 M285 M286	S281-S283 PolarHBondContact O-N 2.96Å; S283-M285 VanDerWaalsContact C-N 3.26Å; S283-M285 PolarHBondContact O-N 3.19Å; S283-M286 PolarHBondContact O-N 3.29Å
284	E	29.5	Very low	29	Very low	94 Å²	94	126 Å²	126	44%	0.439	66%	0.661	S	S	.	*	H	α-helix	trans	-67.9	-28.8	179.8	-67.7	159.2	124.1	0	0	111.7	P279 T280 S281 M286 N287	P279-E284 HydrophobicContact CB-CB 3.63Å; P279-E284 HydrophobicContact CB-CG 4.45Å; T280-E284 PolarHBondContact N-OE2 3.1Å; S281-E284 WeakPolarHBondContact CB-OE2 3.44Å; S281-E284 PolarHBondContact N-OE2 3.08Å; S281-E284 PolarHBondContact O-N 2.83Å; S281-E284 VanDerWaalsContact OG-CD 3.31Å; S281-E284 WeakPolarHBondContact OG-CG 3.46Å; S281-E284 PolarHBondContact OG-OE2 2.92Å; E284-M286 PolarHBondContact O-N 2.98Å; E284-N287 PolarHBondContact O-N 3.39Å
285	M	29.5	Very low	29.3	Very low	78 Å²	78	123.1 Å²	123.1	38%	0.384	65%	0.652	S	S	.	*	H	α-helix	trans	-63.2	-20.9	177.6	-71.9	176.1	56.6	0	0	114.7	S283 N289 Y303	S283-M285 VanDerWaalsContact C-N 3.26Å; S283-M285 PolarHBondContact O-N 3.19Å; M285-N289 PolarHBondContact O-ND2 3.06Å; M285-Y303 HydrophobicContact CE-CE1 4.24Å
286	M	28.4	Very low	29.8	Very low	148 Å²	148	117 Å²	117	73%	0.729	63%	0.634	S	S	*	*	H	α-helix	trans	-77.9	-31.7	179.3	-79.8	-170.8	165.5	0	0	113.1	S283 E284	S283-M286 PolarHBondContact O-N 3.29Å; E284-M286 PolarHBondContact O-N 2.98Å
287	N	32	Very low	30.3	Very low	119 Å²	119	112 Å²	112	64%	0.636	61%	0.612	S	S	*	*	H	α-helix	trans	-76.9	-34.2	-175.1	-71.1	-9.9	0	0	0	112.9	E284 N289 L290	E284-N287 PolarHBondContact O-N 3.39Å; N287-N289 PolarHBondContact O-N 3.22Å; N287-N289 VanDerWaalsContact O-N 3.14Å; N287-L290 PolarHBondContact O-N 2.81Å; N287-L290 VanDerWaalsContact O-N 3.12Å
288	H	32.8	Very low	30.8	Very low	124 Å²	124	110.6 Å²	110.6	57%	0.574	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-65.2	-18.8	-179.5	-157.9	-45.5	0	0	0	113.1	L290	H288-L290 PolarHBondContact O-N 3.17Å
289	N	30.4	Very low	31.2	Very low	110 Å²	110	107 Å²	107	59%	0.588	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-73.9	-5.4	175.5	-69.3	-40	0	0	0	114.2	M285 N287	M285-N289 PolarHBondContact O-ND2 3.06Å; N287-N289 PolarHBondContact O-N 3.22Å; N287-N289 VanDerWaalsContact O-N 3.14Å
290	L	31.5	Very low	31.6	Very low	136 Å²	136	108.7 Å²	108.7	71%	0.712	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-93.3	-16.4	178	-73.7	165	0	0	0	113.9	N287 H288	N287-L290 PolarHBondContact O-N 2.81Å; N287-L290 VanDerWaalsContact O-N 3.12Å; H288-L290 PolarHBondContact O-N 3.17Å
291	E	31.5	Very low	32	Very low	163 Å²	163	105.1 Å²	105.1	76%	0.762	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-23.4	-176.3	-62.2	-172.3	149.2	0	0	113.1
292	T	35.5	Very low	32.4	Very low	67 Å²	67	105.1 Å²	105.1	41%	0.411	58%	0.584	S	S	.	*			trans	-106.4	95	176.1	56.8	0	0	0	0	111	D294	T292-D294 PolarHBondContact O-N 3.03Å
293	N	29.6	Very low	32.9	Very low	160 Å²	160	102.1 Å²	102.1	86%	0.856	57%	0.566	S	S	*	*			trans	-71.9	59	177.9	-79.7	-59.3	0	0	0	113.3
294	D	32.9	Very low	33.3	Very low	89 Å²	89	102.6 Å²	102.6	48%	0.476	56%	0.558	S	S	.	*			trans	-117	105.6	174.5	-168.8	-33.9	0	0	0	110.7	T292 S296	T292-D294 PolarHBondContact O-N 3.03Å; D294-S296 VanDerWaalsContact CG-OG 3.31Å; D294-S296 PolarHBondContact O-N 3.04Å; D294-S296 VanDerWaalsContact O-N 3.08Å; D294-S296 WeakPolarHBondContact OD1-CB 3.41Å; D294-S296 PolarHBondContact OD1-N 2.98Å; D294-S296 PolarHBondContact OD1-OG 3.34Å
295	P	32.1	Very low	33.9	Very low	109 Å²	109	103.9 Å²	103.9	71%	0.708	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-61.7	-16.1	-179.2	-25.2	35.2	0	0	0	115.2	L297 S298	P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 2.97Å; P295-S298 WeakPolarHBondContact O-CB 3.29Å; P295-S298 PolarHBondContact O-N 3.4Å; P295-S298 PolarHBondContact O-OG 3Å
296	S	35.1	Very low	34.2	Very low	67 Å²	67	106.8 Å²	106.8	47%	0.469	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-70	-23	-173.8	69.2	0	0	0	0	114.2	D294 S298	D294-S296 VanDerWaalsContact CG-OG 3.31Å; D294-S296 PolarHBondContact O-N 3.04Å; D294-S296 VanDerWaalsContact O-N 3.08Å; D294-S296 WeakPolarHBondContact OD1-CB 3.41Å; D294-S296 PolarHBondContact OD1-N 2.98Å; D294-S296 PolarHBondContact OD1-OG 3.34Å; S296-S298 VanDerWaalsContact C-N 3.26Å; S296-S298 PolarHBondContact O-N 3.3Å
297	L	35.3	Very low	34.7	Very low	71 Å²	71	101.9 Å²	101.9	37%	0.372	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-78.4	-4.9	179.5	-79.7	158.5	0	0	0	114.1	P295 N299 Y303	P295-L297 VanDerWaalsContact C-N 3.3Å; P295-L297 PolarHBondContact O-N 2.97Å; L297-N299 PolarHBondContact O-N 3.5Å; L297-Y303 HydrophobicContact CD2-CD2 4.38Å
298	S	35.5	Very low	35	Very low	106 Å²	106	101.1 Å²	101.1	74%	0.741	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-66.6	-10.4	175.7	60.5	0	0	0	0	114.8	P295 S296	P295-S298 WeakPolarHBondContact O-CB 3.29Å; P295-S298 PolarHBondContact O-N 3.4Å; P295-S298 PolarHBondContact O-OG 3Å; S296-S298 VanDerWaalsContact C-N 3.26Å; S296-S298 PolarHBondContact O-N 3.3Å
299	N	35.5	Very low	35.2	Very low	81 Å²	81	98.6 Å²	98.6	43%	0.433	53%	0.527	S	S	.	.			trans	-97.6	114.6	-178.8	-173.6	-27.4	0	0	0	111.8	L297 A301 V302 Y303	L297-N299 PolarHBondContact O-N 3.5Å; N299-A301 PolarHBondContact O-N 3.18Å; N299-A301 VanDerWaalsContact O-N 3.13Å; N299-A301 PolarHBondContact OD1-N 3Å; N299-A301 VanDerWaalsContact OD1-N 3.1Å; N299-V302 HydrophobicContact CB-CB 4.35Å; N299-V302 HydrophobicContact CB-CG2 3.93Å; N299-V302 PolarHBondContact O-N 3.4Å; N299-Y303 PolarHBondContact O-N 2.96Å
300	P	34.9	Very low	35.4	Very low	104 Å²	104	99.6 Å²	99.6	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-56	-33.5	-177.3	-27.7	35.6	0	0	0	114.8	V302 Y303 E304	P300-V302 VanDerWaalsContact C-N 3.32Å; P300-V302 PolarHBondContact O-N 3.23Å; P300-Y303 PolarHBondContact O-N 2.88Å; P300-E304 WeakPolarHBondContact O-CB 3.45Å; P300-E304 PolarHBondContact O-N 2.94Å
301	A	36.5	Very low	35.5	Very low	63 Å²	63	99 Å²	99	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-69.7	-29.7	180	0	0	0	0	0	112.7	N299 Y305	N299-A301 PolarHBondContact O-N 3.18Å; N299-A301 VanDerWaalsContact O-N 3.13Å; N299-A301 PolarHBondContact OD1-N 3Å; N299-A301 VanDerWaalsContact OD1-N 3.1Å; A301-Y305 WeakPolarHBondContact O-CB 3.42Å; A301-Y305 PolarHBondContact O-N 2.79Å; A301-Y305 VanDerWaalsContact O-N 3.09Å
302	V	35.8	Very low	35.8	Very low	51 Å²	51	96.7 Å²	96.7	31%	0.309	52%	0.516	S	S	.	.	H	α-helix	trans	-73.8	-41.2	175.5	179.8	0	0	0	0	109.9	N299 P300 Y305 Y306	N299-V302 HydrophobicContact CB-CB 4.35Å; N299-V302 HydrophobicContact CB-CG2 3.93Å; N299-V302 PolarHBondContact O-N 3.4Å; P300-V302 VanDerWaalsContact C-N 3.32Å; P300-V302 PolarHBondContact O-N 3.23Å; V302-Y305 PolarHBondContact O-N 2.99Å; V302-Y306 HydrophobicContact CG1-CD2 3.98Å; V302-Y306 HydrophobicContact CG1-CE2 4.08Å; V302-Y306 WeakPolarHBondContact O-CD2 3.44Å; V302-Y306 PolarHBondContact O-N 3.13Å
303	Y	37.7	Very low	35.7	Very low	109 Å²	109	96.7 Å²	96.7	43%	0.427	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-41.7	174.3	-172.2	-92.8	0	0	0	112.5	M285 L297 N299 P300 Y305 Y306 T307	M285-Y303 HydrophobicContact CE-CE1 4.24Å; L297-Y303 HydrophobicContact CD2-CD2 4.38Å; N299-Y303 PolarHBondContact O-N 2.96Å; P300-Y303 PolarHBondContact O-N 2.88Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y303-Y305 PolarHBondContact O-N 3.06Å; Y303-Y306 PolarHBondContact O-N 2.71Å; Y303-T307 HydrophobicContact CD1-CG2 4.16Å; Y303-T307 HydrophobicContact CE1-CG2 3.72Å; Y303-T307 PolarHBondContact O-N 2.87Å; Y303-T307 PolarHBondContact O-OG1 3.38Å
304	E	37.9	Very low	35.9	Very low	105 Å²	105	95.7 Å²	95.7	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-35.4	174.8	-163.5	-171.5	159.9	0	0	112.1	P300 T307 K308	P300-E304 WeakPolarHBondContact O-CB 3.45Å; P300-E304 PolarHBondContact O-N 2.94Å; E304-T307 WeakPolarHBondContact CA-OG1 3.5Å; E304-T307 PolarHBondContact O-OG1 2.84Å; E304-K308 HydrophobicContact CG-CD 4.43Å; E304-K308 WeakPolarHBondContact O-CB 3.46Å; E304-K308 VanDerWaalsContact O-CG 3.3Å; E304-K308 WeakPolarHBondContact O-CG 3.4Å; E304-K308 PolarHBondContact O-N 3.27Å; E304-K308 VanDerWaalsContact O-N 3.13Å; E304-K308 WeakPolarHBondContact OE1-CE 3.5Å; E304-K308 IonicContact OE1-NZ 3.53Å; E304-K308 PolarHBondContact OE1-NZ 3.1Å
305	Y	40.7	Very low	36.1	Very low	121 Å²	121	98.7 Å²	98.7	48%	0.475	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-47.5	174.8	178.3	-103.5	0	0	0	112.2	A301 V302 Y303 K308 L309	A301-Y305 WeakPolarHBondContact O-CB 3.42Å; A301-Y305 PolarHBondContact O-N 2.79Å; A301-Y305 VanDerWaalsContact O-N 3.09Å; V302-Y305 PolarHBondContact O-N 2.99Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y303-Y305 PolarHBondContact O-N 3.06Å; Y305-K308 PolarHBondContact O-N 2.94Å; Y305-L309 HydrophobicContact CD1-CD1 3.93Å; Y305-L309 HydrophobicContact CE1-CD1 3.42Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.42Å; Y305-L309 HydrophobicContact CE1-CG 4.4Å; Y305-L309 HydrophobicContact CE2-CD1 4.46Å; Y305-L309 PolarHBondContact O-N 2.83Å
306	Y	37	Very low	36.2	Very low	139 Å²	139	99.5 Å²	99.5	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.5	-91	-73.8	0	0	0	113	V302 Y303 K308 L309 M310	V302-Y306 HydrophobicContact CG1-CD2 3.98Å; V302-Y306 HydrophobicContact CG1-CE2 4.08Å; V302-Y306 WeakPolarHBondContact O-CD2 3.44Å; V302-Y306 PolarHBondContact O-N 3.13Å; Y303-Y306 PolarHBondContact O-N 2.71Å; Y306-K308 VanDerWaalsContact C-N 3.33Å; Y306-K308 PolarHBondContact O-N 3.3Å; Y306-L309 PolarHBondContact O-N 2.82Å; Y306-M310 WeakPolarHBondContact O-CG 3.49Å; Y306-M310 PolarHBondContact O-N 3.02Å
307	T	38.7	Very low	36.2	Very low	45 Å²	45	102.6 Å²	102.6	28%	0.276	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-36.9	176.2	45.2	0	0	0	0	112.2	Y303 E304 M310 Q311	Y303-T307 HydrophobicContact CD1-CG2 4.16Å; Y303-T307 HydrophobicContact CE1-CG2 3.72Å; Y303-T307 PolarHBondContact O-N 2.87Å; Y303-T307 PolarHBondContact O-OG1 3.38Å; E304-T307 WeakPolarHBondContact CA-OG1 3.5Å; E304-T307 PolarHBondContact O-OG1 2.84Å; T307-M310 PolarHBondContact O-N 3.5Å; T307-Q311 WeakPolarHBondContact O-CG 3.5Å; T307-Q311 PolarHBondContact O-N 3.18Å
308	K	38	Very low	36	Very low	103 Å²	103	104 Å²	104	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-66	-40.3	171.7	-76.8	171.2	-178.6	169.2	0	113.1	E304 Y305 Y306 M310 Q311 L312	E304-K308 HydrophobicContact CG-CD 4.43Å; E304-K308 WeakPolarHBondContact O-CB 3.46Å; E304-K308 VanDerWaalsContact O-CG 3.3Å; E304-K308 WeakPolarHBondContact O-CG 3.4Å; E304-K308 PolarHBondContact O-N 3.27Å; E304-K308 VanDerWaalsContact O-N 3.13Å; E304-K308 WeakPolarHBondContact OE1-CE 3.5Å; E304-K308 IonicContact OE1-NZ 3.53Å; E304-K308 PolarHBondContact OE1-NZ 3.1Å; Y305-K308 PolarHBondContact O-N 2.94Å; Y306-K308 VanDerWaalsContact C-N 3.33Å; Y306-K308 PolarHBondContact O-N 3.3Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 2.88Å; K308-Q311 PolarHBondContact O-N 3.37Å; K308-L312 VanDerWaalsContact O-CG 3.31Å; K308-L312 WeakPolarHBondContact O-CG 3.41Å; K308-L312 PolarHBondContact O-N 3.1Å
309	L	37.7	Very low	36.1	Very low	72 Å²	72	104.8 Å²	104.8	38%	0.377	50%	0.498	S	S	.	.	H	α-helix	trans	-61.2	-42	173.5	-78.8	171.9	0	0	0	112.1	Y305 Y306 L312 S313	Y305-L309 HydrophobicContact CD1-CD1 3.93Å; Y305-L309 HydrophobicContact CE1-CD1 3.42Å; Y305-L309 VanDerWaalsContact CE1-CD1 3.42Å; Y305-L309 HydrophobicContact CE1-CG 4.4Å; Y305-L309 HydrophobicContact CE2-CD1 4.46Å; Y305-L309 PolarHBondContact O-N 2.83Å; Y306-L309 PolarHBondContact O-N 2.82Å; L309-L312 PolarHBondContact O-N 3.06Å; L309-S313 PolarHBondContact O-N 3.29Å; L309-S313 PolarHBondContact O-OG 2.8Å
310	M	33	Very low	35.9	Very low	131 Å²	131	106.4 Å²	106.4	65%	0.645	50%	0.499	S	S	*	.	H	α-helix	trans	-68.2	-34.4	176.9	-68.7	-63	-73.2	0	0	112.9	Y306 T307 K308 S313 Y314	Y306-M310 WeakPolarHBondContact O-CG 3.49Å; Y306-M310 PolarHBondContact O-N 3.02Å; T307-M310 PolarHBondContact O-N 3.5Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 2.88Å; M310-S313 PolarHBondContact O-OG 3.15Å; M310-S313 VanDerWaalsContact O-OG 3.08Å; M310-Y314 WeakPolarHBondContact O-CB 3.5Å; M310-Y314 PolarHBondContact O-N 3.19Å; M310-Y314 VanDerWaalsContact O-N 3.1Å
311	Q	35.6	Very low	35.7	Very low	124 Å²	124	105.3 Å²	105.3	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-66.8	-39.8	171.6	-73.4	172.4	5.2	0	0	111.9	T307 K308 Y314 F315	T307-Q311 WeakPolarHBondContact O-CG 3.5Å; T307-Q311 PolarHBondContact O-N 3.18Å; K308-Q311 PolarHBondContact O-N 3.37Å; Q311-Y314 PolarHBondContact O-N 3.49Å; Q311-F315 WeakPolarHBondContact O-CD2 3.46Å; Q311-F315 PolarHBondContact O-N 3.44Å
312	L	37.1	Very low	35.5	Very low	114 Å²	114	108.4 Å²	108.4	60%	0.597	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-43.1	177.4	-72.8	167.1	0	0	0	112.3	K308 L309 F315 E316	K308-L312 VanDerWaalsContact O-CG 3.31Å; K308-L312 WeakPolarHBondContact O-CG 3.41Å; K308-L312 PolarHBondContact O-N 3.1Å; L309-L312 PolarHBondContact O-N 3.06Å; L312-F315 PolarHBondContact O-N 3.49Å; L312-E316 PolarHBondContact O-N 3.45Å
313	S	32.3	Very low	35.3	Very low	67 Å²	67	111 Å²	111	47%	0.469	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-37.7	176.5	64.9	0	0	0	0	112.2	L309 M310 E316 W317	L309-S313 PolarHBondContact O-N 3.29Å; L309-S313 PolarHBondContact O-OG 2.8Å; M310-S313 PolarHBondContact O-OG 3.15Å; M310-S313 VanDerWaalsContact O-OG 3.08Å; S313-E316 PolarHBondContact O-N 3.44Å; S313-W317 WeakPolarHBondContact O-CB 3.16Å; S313-W317 PolarHBondContact O-N 3.32Å
314	Y	35	Very low	34.8	Very low	139 Å²	139	111.2 Å²	111.2	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-38.7	173.3	-161	-92.1	0	0	0	112.2	M310 Q311 W317 F318	M310-Y314 WeakPolarHBondContact O-CB 3.5Å; M310-Y314 PolarHBondContact O-N 3.19Å; M310-Y314 VanDerWaalsContact O-N 3.1Å; Q311-Y314 PolarHBondContact O-N 3.49Å; Y314-W317 HydrophobicContact CD2-CE3 4.43Å; Y314-W317 HydrophobicContact CE2-CE3 4.09Å; Y314-W317 HydrophobicContact CE2-CZ3 4.07Å; Y314-W317 PolarHBondContact O-N 3.17Å; Y314-F318 HydrophobicContact CD1-CD2 4.45Å; Y314-F318 AromaticContact CE1-CD2 3.77Å; Y314-F318 HydrophobicContact CE1-CD2 3.77Å; Y314-F318 HydrophobicContact CE1-CE2 4.29Å; Y314-F318 WeakPolarHBondContact O-CB 3.32Å; Y314-F318 PolarHBondContact O-N 3.09Å
315	F	37.3	Very low	34	Very low	152 Å²	152	111 Å²	111	67%	0.667	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-40.6	175.4	-104.6	-77.5	0	0	0	113.2	Q311 L312 F318 R319	Q311-F315 WeakPolarHBondContact O-CD2 3.46Å; Q311-F315 PolarHBondContact O-N 3.44Å; L312-F315 PolarHBondContact O-N 3.49Å; F315-F318 PolarHBondContact O-N 3.49Å; F315-R319 WeakPolarHBondContact O-CB 3.43Å; F315-R319 PolarHBondContact O-N 3.25Å
316	E	32.9	Very low	33.4	Very low	125 Å²	125	110.8 Å²	110.8	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-70	-34.7	174.7	-73	-58.2	140.5	0	0	112.2	L312 S313 R319 Y320	L312-E316 PolarHBondContact O-N 3.45Å; S313-E316 PolarHBondContact O-N 3.44Å; E316-R319 VanDerWaalsContact O-CB 3.29Å; E316-R319 WeakPolarHBondContact O-CB 3.39Å; E316-R319 PolarHBondContact O-N 3.16Å; E316-Y320 PolarHBondContact O-N 2.91Å
317	W	35.1	Very low	32.8	Very low	133 Å²	133	112.3 Å²	112.3	50%	0.504	55%	0.554	S	S	.	*	H	α-helix	trans	-66	-41.4	172.1	-176.6	78.7	0	0	0	112.6	S313 Y314 R319 Y320 L321	S313-W317 WeakPolarHBondContact O-CB 3.16Å; S313-W317 PolarHBondContact O-N 3.32Å; Y314-W317 HydrophobicContact CD2-CE3 4.43Å; Y314-W317 HydrophobicContact CE2-CE3 4.09Å; Y314-W317 HydrophobicContact CE2-CZ3 4.07Å; Y314-W317 PolarHBondContact O-N 3.17Å; W317-R319 VanDerWaalsContact C-N 3.31Å; W317-R319 PolarHBondContact O-N 3.18Å; W317-Y320 WeakPolarHBondContact O-CB 3.31Å; W317-Y320 PolarHBondContact O-N 3.32Å; W317-Y320 VanDerWaalsContact O-N 3.16Å; W317-L321 HydrophobicContact CD2-CD1 4.13Å; W317-L321 HydrophobicContact CE3-CD1 3.95Å; W317-L321 HydrophobicContact CH2-CD1 3.58Å; W317-L321 HydrophobicContact CZ2-CD1 3.75Å; W317-L321 HydrophobicContact CZ3-CD1 3.67Å; W317-L321 PolarHBondContact O-N 3.19Å
318	F	31.4	Very low	32.2	Very low	101 Å²	101	118 Å²	118	44%	0.443	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-34.5	174.7	-140.1	-84.7	0	0	0	111.9	Y314 F315 L322	Y314-F318 HydrophobicContact CD1-CD2 4.45Å; Y314-F318 AromaticContact CE1-CD2 3.77Å; Y314-F318 HydrophobicContact CE1-CD2 3.77Å; Y314-F318 HydrophobicContact CE1-CE2 4.29Å; Y314-F318 WeakPolarHBondContact O-CB 3.32Å; Y314-F318 PolarHBondContact O-N 3.09Å; F315-F318 PolarHBondContact O-N 3.49Å; F318-L322 HydrophobicContact CD1-CD1 3.87Å; F318-L322 HydrophobicContact CD1-CG 4.28Å; F318-L322 HydrophobicContact CE1-CD1 4.19Å; F318-L322 WeakPolarHBondContact O-CG 3.26Å; F318-L322 PolarHBondContact O-N 3.13Å; F318-L322 VanDerWaalsContact O-N 3.15Å
319	R	37.1	Very low	31.5	Very low	121 Å²	121	119.3 Å²	119.3	46%	0.457	60%	0.598	S	S	.	*	H	α-helix	trans	-61.7	-43.2	168.8	-98.4	-95.1	162.1	78.1	5.1	112.3	F315 E316 W317 C323	F315-R319 WeakPolarHBondContact O-CB 3.43Å; F315-R319 PolarHBondContact O-N 3.25Å; E316-R319 VanDerWaalsContact O-CB 3.29Å; E316-R319 WeakPolarHBondContact O-CB 3.39Å; E316-R319 PolarHBondContact O-N 3.16Å; W317-R319 VanDerWaalsContact C-N 3.31Å; W317-R319 PolarHBondContact O-N 3.18Å; R319-C323 PolarHBondContact O-N 3.37Å; R319-C323 PolarHBondContact O-SG 3.18Å; R319-C323 VanDerWaalsContact O-SG 3.4Å
320	Y	33.2	Very low	30.9	Very low	115 Å²	115	118.8 Å²	118.8	45%	0.451	61%	0.61	S	S	.	*	H	α-helix	trans	-62.2	-46	178	-177	-95	0	0	0	111.6	E316 W317 C323 Q324	E316-Y320 PolarHBondContact O-N 2.91Å; W317-Y320 WeakPolarHBondContact O-CB 3.31Å; W317-Y320 PolarHBondContact O-N 3.32Å; W317-Y320 VanDerWaalsContact O-N 3.16Å; Y320-C323 PolarHBondContact O-N 3.44Å; Y320-Q324 HydrophobicContact CE1-CG 4.32Å; Y320-Q324 WeakPolarHBondContact O-CG 3.33Å; Y320-Q324 PolarHBondContact OH-NE2 2.82Å
321	L	30.7	Very low	30.4	Very low	82 Å²	82	120.8 Å²	120.8	43%	0.429	62%	0.623	S	S	.	*	H	α-helix	trans	-61.9	-46.6	177.1	-72.2	175.1	0	0	0	113.1	W317 C323 Q324	W317-L321 HydrophobicContact CD2-CD1 4.13Å; W317-L321 HydrophobicContact CE3-CD1 3.95Å; W317-L321 HydrophobicContact CH2-CD1 3.58Å; W317-L321 HydrophobicContact CZ2-CD1 3.75Å; W317-L321 HydrophobicContact CZ3-CD1 3.67Å; W317-L321 PolarHBondContact O-N 3.19Å; L321-C323 PolarHBondContact O-N 3.46Å; L321-Q324 PolarHBondContact O-N 3.25Å; L321-Q324 VanDerWaalsContact O-N 3.1Å
322	L	31.4	Very low	29.9	Very low	127 Å²	127	120.6 Å²	120.6	67%	0.665	64%	0.636	S	S	*	*	H	α-helix	trans	-67	-16.5	-179.5	-71.8	172.4	0	0	0	113.9	F318	F318-L322 HydrophobicContact CD1-CD1 3.87Å; F318-L322 HydrophobicContact CD1-CG 4.28Å; F318-L322 HydrophobicContact CE1-CD1 4.19Å; F318-L322 WeakPolarHBondContact O-CG 3.26Å; F318-L322 PolarHBondContact O-N 3.13Å; F318-L322 VanDerWaalsContact O-N 3.15Å
323	C	32.1	Very low	29.3	Very low	105 Å²	105	120.5 Å²	120.5	71%	0.709	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-3.6	174.7	-73.9	0	0	0	0	114.2	R319 Y320 L321	R319-C323 PolarHBondContact O-N 3.37Å; R319-C323 PolarHBondContact O-SG 3.18Å; R319-C323 VanDerWaalsContact O-SG 3.4Å; Y320-C323 PolarHBondContact O-N 3.44Å; L321-C323 PolarHBondContact O-N 3.46Å
324	Q	26.1	Very low	29	Very low	114 Å²	114	123.6 Å²	123.6	53%	0.533	66%	0.661	S	S	.	*			trans	-98.8	4.2	-174.8	-74.7	-77	-2.2	0	0	114.5	Y320 L321 P326	Y320-Q324 HydrophobicContact CE1-CG 4.32Å; Y320-Q324 WeakPolarHBondContact O-CG 3.33Å; Y320-Q324 PolarHBondContact OH-NE2 2.82Å; L321-Q324 PolarHBondContact O-N 3.25Å; L321-Q324 VanDerWaalsContact O-N 3.1Å; Q324-P326 VanDerWaalsContact O-CD 3.31Å; Q324-P326 WeakPolarHBondContact O-CD 3.22Å
325	S	22.6	Very low	28.5	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	67%	0.672	S	S	*	*			trans	-80.5	116.8	174.6	-62.5	0	0	0	0	111.9
326	P	27.6	Very low	27.8	Very low	116 Å²	116	120.3 Å²	120.3	75%	0.753	68%	0.677	S	S	*	*			trans	-72.1	152.4	179.4	-17.7	33.3	0	0	0	113	Q324 I328	Q324-P326 VanDerWaalsContact O-CD 3.31Å; Q324-P326 WeakPolarHBondContact O-CD 3.22Å; P326-I328 PolarHBondContact O-N 3.28Å
327	Q	24.3	Very low	27.6	Very low	172 Å²	172	120.2 Å²	120.2	80%	0.804	69%	0.687	S	S	*	*			trans	-70.7	105.9	173.2	-69.3	-76.9	-9.1	0	0	110.8	T329	Q327-T329 PolarHBondContact O-N 2.84Å
328	I	25.7	Very low	27.3	Very low	164 Å²	164	121 Å²	121	84%	0.841	70%	0.7	S	S	*	*			trans	-90.4	90.2	165.9	-57.2	-178.4	0	0	0	108.6	P326 G330	P326-I328 PolarHBondContact O-N 3.28Å; I328-G330 PolarHBondContact O-N 3.44Å
329	T	23.4	Very low	27.1	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	72%	0.715	S	S	*	*			trans	-85	100	166.7	52.1	0	0	0	0	109.4	Q327	Q327-T329 PolarHBondContact O-N 2.84Å
330	G	25.4	Very low	26.4	Very low	60 Å²	60	123.6 Å²	123.6	62%	0.619	73%	0.728	S	S	*	*			trans	-158.9	120.1	178.1	0	0	0	0	0	112.6	I328	I328-G330 PolarHBondContact O-N 3.44Å
331	N	21.5	Very low	26	Very low	173 Å²	173	126.2 Å²	126.2	93%	0.925	75%	0.749	S	S	*	*			trans	-85.7	114	173.8	-71.4	-18.6	0	0	0	110.2
332	S	26.4	Very low	25.8	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	77%	0.766	S	S	*	*			trans	-161.3	146.3	150.4	52.2	0	0	0	0	111.3
333	S	23.3	Very low	25.4	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	77%	0.769	S	S	*	*			trans	-104.7	118.9	-179.6	52.8	0	0	0	0	111
334	T	25.7	Very low	25.1	Very low	133 Å²	133	132.7 Å²	132.7	82%	0.816	77%	0.771	S	S	*	*			trans	-171.2	134.2	154.1	23.1	0	0	0	0	112
335	S	24.6	Very low	25	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	78%	0.778	S	S	*	*			trans	34.3	118	150.8	58.5	0	0	0	0	121.6
336	S	24	Very low	25.2	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.779	S	S	*	*			trans	-63.6	164.8	156.1	-35.3	0	0	0	0	112.2
337	P	27.2	Very low	25.1	Very low	123 Å²	123	136 Å²	136	80%	0.799	78%	0.777	S	S	*	*				-145	171.2	78.1	38.8	-21.7	0	0	0	116.3
338	I	29.8	Very low	25.1	Very low	149 Å²	149	136.3 Å²	136.3	76%	0.764	78%	0.778	S	S	*	*			trans	-121.3	138.3	171.2	-58.4	168.3	0	0	0	108.9
339	P	27	Very low	24.8	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	78%	0.778	S	S	*	*			trans	-118.3	119.6	155	33.2	-21	0	0	0	111
340	H	23	Very low	25.3	Very low	160 Å²	160	137 Å²	137	74%	0.741	77%	0.769	S	S	*	*				89.6	104.3	63.9	-97.7	-73.2	0	0	0	115
341	L	23.6	Very low	25.2	Very low	169 Å²	169	140.4 Å²	140.4	89%	0.885	77%	0.773	S	S	*	*			trans	-170.6	130.6	152.1	-97.9	168.3	0	0	0	104.5
342	I	26.6	Very low	25.4	Very low	153 Å²	153	138 Å²	138	79%	0.785	76%	0.76	S	S	*	*			cis	-124	156	7.9	-73.1	168.2	0	0	0	109.7
343	Q	23.7	Very low	25.4	Very low	155 Å²	155	141 Å²	141	72%	0.724	76%	0.758	S	S	*	*			trans	-87.9	155	177.6	-61	157	-67.5	0	0	112.1
344	N	24.9	Very low	25.3	Very low	143 Å²	143	140.6 Å²	140.6	77%	0.765	76%	0.755	S	S	*	*				-170.1	146.3	112.1	-98.4	-17.3	0	0	0	115.3
345	N	25.6	Very low	25.2	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	76%	0.76	S	S	*	*			trans	71.7	97.3	155.4	-59	-5.6	0	0	0	120.6
346	N	26.7	Very low	25	Very low	136 Å²	136	143 Å²	143	73%	0.727	76%	0.764	S	S	*	*				86.3	135.3	129.8	-56.6	-9.9	0	0	0	119.7
347	I	24	Very low	25.1	Very low	139 Å²	139	144.4 Å²	144.4	71%	0.713	77%	0.767	S	S	*	*			cis	-163.6	157.7	-20.4	-124.2	161.3	0	0	0	109.7
348	H	24.5	Very low	24.8	Very low	178 Å²	178	146.1 Å²	146.1	82%	0.824	77%	0.769	S	S	*	*			trans	70.7	128.4	167.4	-92.6	-63.6	0	0	0	123
349	Y	19.7	Very low	24.6	Very low	215 Å²	215	143.9 Å²	143.9	84%	0.843	77%	0.767	S	S	*	*			trans	-119.7	-172	156.7	-84.4	-83.3	0	0	0	107.1
350	P	33.3	Very low	24.5	Very low	95 Å²	95	145.7 Å²	145.7	62%	0.617	77%	0.77	S	S	*	*				-131.3	-175.6	-54.5	38	-22.4	0	0	0	112.3
351	N	25.1	Very low	24.6	Very low	131 Å²	131	144.7 Å²	144.7	70%	0.701	77%	0.77	S	S	*	*				168.8	141.4	120	-94.6	-43.9	0	0	0	118.8
352	N	23.8	Very low	24.5	Very low	123 Å²	123	144 Å²	144	66%	0.658	77%	0.767	S	S	*	*			trans	76.5	127.6	137.3	-75.7	-34.2	0	0	0	125.6
353	K	26.7	Very low	24.5	Very low	183 Å²	183	142.6 Å²	142.6	80%	0.796	77%	0.765	S	S	*	*			trans	68.5	120.9	144	-63.8	174.2	-176.9	-177.3	0	118.3
354	S	21.3	Very low	24.6	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	77%	0.765	S	S	*	*			cis	103.8	115.9	26.7	71.2	0	0	0	0	113.9
355	C	24.1	Very low	24.4	Very low	136 Å²	136	142.2 Å²	142.2	92%	0.919	77%	0.768	S	S	*	*			trans	-165.6	140.2	153.6	-95.2	0	0	0	0	109.9
356	D	20.2	Very low	24.2	Very low	160 Å²	160	142.4 Å²	142.4	86%	0.856	77%	0.774	S	S	*	*			trans	-94.4	148.9	178.4	-62.5	-72.8	0	0	0	113
357	V	26.3	Very low	24.1	Very low	140 Å²	140	143.3 Å²	143.3	85%	0.848	78%	0.777	S	S	*	*			trans	-144.7	125.3	151.4	-175.2	0	0	0	0	110.2
358	N	21.5	Very low	24.1	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	79%	0.785	S	S	*	*			trans	-82.4	123.2	168.7	-81.5	-60.7	0	0	0	111.2
359	S	24.3	Very low	23.9	Very low	103 Å²	103	144 Å²	144	72%	0.72	78%	0.779	S	S	*	*			trans	-168.9	150.9	156.6	-88	0	0	0	0	112.7
360	L	26.3	Very low	24	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	78%	0.776	S	S	*	*			trans	62.9	95.9	177.5	-62.8	128.4	0	0	0	114.7
361	N	24.4	Very low	23.6	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	79%	0.791	S	S	*	*				63.5	111.8	75.8	-62.8	-28.6	0	0	0	112.9
362	N	21.9	Very low	23.4	Very low	155 Å²	155	145 Å²	145	83%	0.829	80%	0.795	S	S	*	*				78.3	59.5	50.3	-163.6	22.1	0	0	0	113.9
363	V	26.4	Very low	23.6	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	80%	0.8	S	S	*	*			trans	-148.3	131	168	177.7	0	0	0	0	105.6
364	N	26	Very low	23.3	Very low	136 Å²	136	143.9 Å²	143.9	73%	0.727	80%	0.798	S	S	*	*			cis	-143.3	133.9	5.9	-133.9	-13.9	0	0	0	111.9
365	N	20.2	Very low	23.3	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	80%	0.8	S	S	*	*	S	Bend	trans	-153	150.3	150.4	-117.3	-22.1	0	0	0	107.3
366	T	21.3	Very low	23.5	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	79%	0.793	S	S	*	*			trans	74	73.8	179.3	-37.3	0	0	0	0	116.5
367	I	23.9	Very low	23.8	Very low	155 Å²	155	146.4 Å²	146.4	80%	0.795	79%	0.793	S	S	*	*			trans	-175.9	130.2	142.5	-95.9	153.1	0	0	0	104.5
368	R	24.2	Very low	23.5	Very low	235 Å²	235	146.6 Å²	146.6	89%	0.887	79%	0.79	S	S	*	*			cis	-140.4	139.7	8.9	-134.7	170.8	-170.8	156.1	-0.5	108.4
369	S	20.3	Very low	23.6	Very low	98 Å²	98	146 Å²	146	69%	0.685	79%	0.785	S	S	*	*			trans	-88.3	150.7	163.6	45.6	0	0	0	0	110.7
370	N	21.5	Very low	23.5	Very low	147 Å²	147	146.8 Å²	146.8	79%	0.786	78%	0.781	S	S	*	*			trans	47.3	104.6	157.3	-55.1	-9.3	0	0	0	118.6
371	H	25.8	Very low	23.4	Very low	199 Å²	199	149.3 Å²	149.3	92%	0.921	78%	0.78	S	S	*	*				-148.6	149.6	114.9	-105.8	-78.3	0	0	0	109.5
372	S	20.9	Very low	23.3	Very low	114 Å²	114	150.5 Å²	150.5	80%	0.797	79%	0.785	S	S	*	*			trans	-107.7	137.5	-178.3	46.5	0	0	0	0	111.4
373	S	27.2	Very low	23.3	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	78%	0.78	S	S	*	*			trans	-164.7	120	146.1	-172.3	0	0	0	0	111.8
374	K	22.3	Very low	23.1	Very low	174 Å²	174	149.6 Å²	149.6	76%	0.757	78%	0.781	S	S	*	*			trans	14.1	128.3	139.7	-66.9	-177.4	-179.3	-176.6	0	120.6
375	D	21	Very low	22.9	Very low	141 Å²	141	152 Å²	152	75%	0.754	78%	0.779	S	S	*	*			trans	68	157.9	132.8	-48.4	-31.7	0	0	0	120.3
376	V	27	Very low	23.1	Very low	128 Å²	128	152.7 Å²	152.7	78%	0.776	78%	0.777	S	S	*	*			trans	79.1	121.8	-170.8	-176.8	0	0	0	0	114.4
377	Q	27	Very low	23.3	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	78%	0.777	S	S	*	*			cis	-153.4	176.2	-12.8	-120.5	162.8	20.8	0	0	109.4
378	N	21.2	Very low	23.2	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	77%	0.773	S	S	*	*			trans	-132.1	166.8	179.8	-160.7	5.3	0	0	0	109.1
379	I	22.4	Very low	23.1	Very low	146 Å²	146	147.4 Å²	147.4	75%	0.749	77%	0.767	S	S	*	*			trans	73.6	139.2	173.1	-57.7	156.7	0	0	0	112.9
380	D	23.3	Very low	23.2	Very low	118 Å²	118	147.7 Å²	147.7	63%	0.631	77%	0.769	S	S	*	*			cis	-142.6	-151.2	1.1	-145.7	-8	0	0	0	109
381	R	23.9	Very low	23.2	Very low	208 Å²	208	148.8 Å²	148.8	79%	0.785	77%	0.774	S	S	*	*			cis	-150.2	168.3	-0.3	-165.2	142.8	-79.3	-179.8	-1.4	110.6
382	L	21.5	Very low	23	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	76%	0.764	S	S	*	*			trans	-103.8	151.3	171.2	-77.4	160.7	0	0	0	113.6
383	A	22.4	Very low	23.1	Very low	88 Å²	88	146.5 Å²	146.5	73%	0.727	77%	0.766	S	S	*	*			trans	-145.5	122.7	154.6	0	0	0	0	0	107.9
384	F	23	Very low	22.8	Very low	173 Å²	173	147.9 Å²	147.9	76%	0.759	77%	0.765	S	S	*	*				60.4	132.6	76.3	-83.4	-106	0	0	0	114.2
385	R	20.2	Very low	23	Very low	186 Å²	186	145.4 Å²	145.4	70%	0.702	77%	0.77	S	S	*	*			cis	-173	176.3	-16.5	-145.3	-167.1	-155.1	-177.5	7.3	109.3
386	H	24.6	Very low	23.1	Very low	168 Å²	168	145.7 Å²	145.7	78%	0.778	77%	0.771	S	S	*	*			trans	73.5	156.3	176.3	-54.8	-86.1	0	0	0	115
387	S	25.2	Very low	23.1	Very low	113 Å²	113	147 Å²	147	79%	0.79	77%	0.772	S	S	*	*			cis	-133.2	179.6	6.3	59.2	0	0	0	0	113.7
388	N	22.7	Very low	22.9	Very low	132 Å²	132	143.9 Å²	143.9	71%	0.706	77%	0.771	S	S	*	*			trans	-90.1	159.1	-178.4	-79	17.8	0	0	0	114.1
389	E	22.5	Very low	23.1	Very low	164 Å²	164	140.2 Å²	140.2	77%	0.766	77%	0.766	S	S	*	*			trans	60.1	114.1	137.6	-72.9	167.2	123.4	0	0	122.4
390	S	21.1	Very low	23.1	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	77%	0.77	S	S	*	*				106	143.2	118	77.6	0	0	0	0	120.6
391	L	22.4	Very low	23.1	Very low	170 Å²	170	138.3 Å²	138.3	89%	0.89	77%	0.771	S	S	*	*			trans	66.2	132.6	158	-68.7	162.9	0	0	0	119.8
392	S	21.3	Very low	23.2	Very low	102 Å²	102	138.8 Å²	138.8	71%	0.713	77%	0.774	S	S	*	*			trans	-88.1	147	167.4	53.3	0	0	0	0	111.4
393	I	23	Very low	23.1	Very low	162 Å²	162	136 Å²	136	83%	0.831	77%	0.769	S	S	*	*			trans	-165.4	147.7	134	-99.8	149.1	0	0	0	110.3
394	N	20.5	Very low	23.3	Very low	138 Å²	138	143 Å²	143	74%	0.738	78%	0.778	S	S	*	*			trans	-29.8	143.5	-178.4	-43.3	-13.3	0	0	0	118.9
395	S	26.7	Very low	23.3	Very low	123 Å²	123	142.3 Å²	142.3	86%	0.86	78%	0.782	S	S	*	*				-162.5	152.1	115.8	34.5	0	0	0	0	112.2
396	D	22.2	Very low	23.4	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	79%	0.79	S	S	*	*			trans	-94	-168.2	-163.8	-57	-87.7	0	0	0	115
397	I	27.2	Very low	23.3	Very low	156 Å²	156	138 Å²	138	80%	0.8	79%	0.786	S	S	*	*			trans	103.1	77.4	156.6	-57	158.5	0	0	0	117.7
398	S	22.9	Very low	23.5	Very low	118 Å²	118	140 Å²	140	83%	0.825	79%	0.787	S	S	*	*				49.2	132.9	126.2	69.3	0	0	0	0	124.5
399	G	26	Very low	23.4	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	79%	0.793	S	S	*	*			trans	152.6	92.4	160	0	0	0	0	0	110.2
400	S	23.1	Very low	23.7	Very low	118 Å²	118	139.8 Å²	139.8	83%	0.825	79%	0.789	S	S	*	*				61.1	126.4	70.9	93.6	0	0	0	0	112.1
401	T	22.5	Very low	23.7	Very low	107 Å²	107	140.4 Å²	140.4	66%	0.656	79%	0.792	S	S	*	*			cis	-147.1	161.3	3.2	49.9	0	0	0	0	110.5
402	Y	26	Very low	23.8	Very low	217 Å²	217	139.4 Å²	139.4	85%	0.851	79%	0.787	S	S	*	*				170.4	139.6	123.1	-96.6	-67.6	0	0	0	111
403	S	19.2	Very low	23.9	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	80%	0.796	S	S	*	*			trans	-119.2	140.9	-172.9	-46.5	0	0	0	0	111.1
404	Y	25.9	Very low	23.9	Very low	235 Å²	235	142.7 Å²	142.7	92%	0.922	79%	0.792	S	S	*	*			trans	-144.3	158.3	158.1	-89	-67.8	0	0	0	110.8
405	D	23.8	Very low	24.1	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	78%	0.78	S	S	*	*			trans	-87	160.4	-146.3	-119	-51.1	0	0	0	117.3
406	L	22.5	Very low	23.9	Very low	167 Å²	167	141.1 Å²	141.1	87%	0.874	78%	0.78	S	S	*	*			trans	-116.8	97.8	-178.8	-98	164.6	0	0	0	111.4
407	S	23.1	Very low	24	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	78%	0.78	S	S	*	*			trans	-166.2	98.8	158.4	36.5	0	0	0	0	113.8
408	N	27.9	Very low	24	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	78%	0.776	S	S	*	*				-177.1	137.3	119.9	-94.1	-47.6	0	0	0	113.5
409	F	22.4	Very low	24	Very low	187 Å²	187	143.3 Å²	143.3	82%	0.82	78%	0.775	S	S	*	*			trans	-31.9	162.3	173.8	-67.1	-99.7	0	0	0	119.1
410	P	27.7	Very low	24	Very low	105 Å²	105	146.9 Å²	146.9	68%	0.682	78%	0.779	S	S	*	*			cis	-138.3	-163.4	-33.4	37.4	-18.5	0	0	0	112.6
411	C	21.6	Very low	24.1	Very low	118 Å²	118	147.4 Å²	147.4	80%	0.797	77%	0.772	S	S	*	*			trans	68.4	64.8	161.3	-64	0	0	0	0	118.3
412	N	23.6	Very low	24.3	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	78%	0.778	S	S	*	*			trans	-150.4	96.3	144.9	-111.1	-34.2	0	0	0	112.4	Q414	N412-Q414 VanDerWaalsContact C-N 3.28Å; N412-Q414 PolarHBondContact O-N 2.88Å
413	L	23.5	Very low	24.4	Very low	171 Å²	171	148.1 Å²	148.1	90%	0.895	78%	0.775	S	S	*	*			trans	-79	79.4	168.9	-98	169.8	0	0	0	109.7
414	Q	23.2	Very low	24.8	Very low	162 Å²	162	147.2 Å²	147.2	76%	0.757	77%	0.766	S	S	*	*			trans	-111.2	50	172.2	-163.3	165.1	-13.4	0	0	110.5	N412 N416	N412-Q414 VanDerWaalsContact C-N 3.28Å; N412-Q414 PolarHBondContact O-N 2.88Å; Q414-N416 PolarHBondContact O-N 3.28Å
415	S	24.8	Very low	24.7	Very low	69 Å²	69	139.2 Å²	139.2	48%	0.483	75%	0.748	S	S	.	*			trans	-72.9	121.6	172.7	44.9	0	0	0	0	110.5	F417	S415-F417 VanDerWaalsContact C-N 3.35Å; S415-F417 PolarHBondContact O-N 2.86Å
416	N	22.9	Very low	24.9	Very low	160 Å²	160	138.5 Å²	138.5	86%	0.856	74%	0.743	S	S	*	*			trans	-66.6	93	168.8	-72.1	-43.3	0	0	0	109	Q414 S418	Q414-N416 PolarHBondContact O-N 3.28Å; N416-S418 PolarHBondContact O-N 3.06Å; N416-S418 VanDerWaalsContact O-N 3.13Å
417	F	24.8	Very low	25.3	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	73%	0.731	S	S	*	*			trans	-72.4	109	175.9	-108.1	-81.8	0	0	0	110.5	S415	S415-F417 VanDerWaalsContact C-N 3.35Å; S415-F417 PolarHBondContact O-N 2.86Å
418	S	26.4	Very low	25.5	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	73%	0.73	S	S	*	*			trans	-51.1	154	167.2	178.2	0	0	0	0	111.4	N416	N416-S418 PolarHBondContact O-N 3.06Å; N416-S418 VanDerWaalsContact O-N 3.13Å
419	F	23.9	Very low	25.3	Very low	185 Å²	185	135.8 Å²	135.8	81%	0.811	73%	0.73	S	S	*	*	S	Bend	trans	-53.8	162	157.4	-101.9	-116.8	0	0	0	111.1
420	N	24.5	Very low	25.4	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	73%	0.729	S	S	*	*			trans	73.4	73	177.4	-52	-19.6	0	0	0	115.8
421	N	25.4	Very low	25.3	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	73%	0.725	S	S	*	*			trans	-158.9	42	143.5	-109.2	-32	0	0	0	114.3	T424	N421-T424 PolarHBondContact OD1-OG1 3.48Å
422	H	27.1	Very low	25.5	Very low	169 Å²	169	133.4 Å²	133.4	78%	0.782	72%	0.722	S	S	*	*	S	Bend	trans	-111.9	15.6	171.9	-120.3	-34.6	0	0	0	113.9
423	Q	27.6	Very low	25.4	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	72%	0.724	S	S	*	*	S	Bend	trans	-106.1	-1.5	178.3	-164.4	163.1	-11	0	0	113.2
424	T	28.3	Very low	25.4	Very low	87 Å²	87	132.3 Å²	132.3	53%	0.534	72%	0.721	S	S	.	*	S	Bend	trans	-121.1	-1.3	-174.1	29.2	0	0	0	0	113.7	N421	N421-T424 PolarHBondContact OD1-OG1 3.48Å
425	A	24.4	Very low	25.5	Very low	67 Å²	67	129.8 Å²	129.8	55%	0.554	72%	0.721	S	S	*	*	S	Bend	trans	-106.5	2	175.6	0	0	0	0	0	114
426	L	28.5	Very low	25.6	Very low	142 Å²	142	133.4 Å²	133.4	74%	0.743	74%	0.74	S	S	*	*	S	Bend	trans	-111.9	4.5	176	-97.3	166.7	0	0	0	113.5
427	L	29.2	Very low	25.7	Very low	118 Å²	118	131.2 Å²	131.2	62%	0.618	73%	0.732	S	S	*	*	S	Bend	trans	-107.4	-14.2	177.3	-72.9	168.7	0	0	0	113.7
428	N	27.7	Very low	25.7	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	16.4	-178	-71.9	5	0	0	0	114.4
429	C	24.3	Very low	25.8	Very low	119 Å²	119	131.7 Å²	131.7	80%	0.804	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	21.5	169.9	-64.4	0	0	0	0	112.1
430	L	24.8	Very low	25.8	Very low	153 Å²	153	131 Å²	131	80%	0.801	74%	0.74	S	S	*	*	S	Bend	trans	-139.7	21.9	-169.6	-116.6	162.2	0	0	0	113.5
431	S	24.9	Very low	25.9	Very low	85 Å²	85	129.5 Å²	129.5	59%	0.594	74%	0.738	S	S	*	*	S	Bend	trans	-138.3	35.6	-172.8	65.4	0	0	0	0	113.8
432	T	25	Very low	25.8	Very low	121 Å²	121	128 Å²	128	74%	0.742	74%	0.737	S	S	*	*			trans	-141.5	30.1	-175.1	-19.6	0	0	0	0	114.7
433	I	23.2	Very low	25.8	Very low	164 Å²	164	130.9 Å²	130.9	84%	0.841	74%	0.743	S	S	*	*			trans	-134.9	84.1	167.3	-52.5	179.9	0	0	0	109.1
434	T	23.3	Very low	25.6	Very low	133 Å²	133	128 Å²	128	82%	0.816	74%	0.742	S	S	*	*			trans	-144	50.2	179.2	54.1	0	0	0	0	112.3
435	S	24	Very low	25.5	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	76%	0.755	S	S	*	*			trans	-162.3	66.2	176	62.5	0	0	0	0	115.5
436	T	27.1	Very low	25.6	Very low	145 Å²	145	134 Å²	134	89%	0.89	77%	0.766	S	S	*	*			trans	-161.6	158.8	152	20.8	0	0	0	0	109.6
437	T	25.1	Very low	25.5	Very low	114 Å²	114	138 Å²	138	70%	0.699	77%	0.771	S	S	*	*			trans	-125	162.6	-162.8	50.4	0	0	0	0	114.6
438	H	25.2	Very low	25.4	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.796	77%	0.774	S	S	*	*			trans	75.4	162.8	171.5	-48.2	-67.1	0	0	0	115.3
439	P	28.5	Very low	25.5	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	77%	0.766	S	S	*	*				-126.5	170.1	-94.3	23.4	-0.2	0	0	0	115.8
440	L	23.6	Very low	25.8	Very low	169 Å²	169	139.9 Å²	139.9	89%	0.885	77%	0.767	S	S	*	*			trans	-67.1	159.3	177.3	-64.6	169.7	0	0	0	113.1
441	P	26.8	Very low	26.1	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	76%	0.755	S	S	*	*				-136.6	160.4	101.2	38.7	-29.8	0	0	0	116.2
442	S	23.5	Very low	26.3	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	75%	0.745	S	S	*	*			trans	48.2	97	157.7	58.1	0	0	0	0	119.8
443	Y	27	Very low	26.6	Very low	230 Å²	230	133.7 Å²	133.7	90%	0.902	74%	0.737	S	S	*	*				-161.5	154.6	96.2	-100.8	-74.7	0	0	0	110.1
444	S	23.9	Very low	26.9	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	73%	0.728	S	S	*	*			trans	-84.9	131.3	-156.5	-51.4	0	0	0	0	115.8
445	P	25.4	Very low	27.4	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	72%	0.721	S	S	*	*			trans	-78.8	133.8	166.2	31.7	-32.5	0	0	0	111.3	R447	P445-R447 PolarHBondContact O-N 3.48Å
446	I	26.8	Very low	27.6	Very low	156 Å²	156	133.8 Å²	133.8	80%	0.8	73%	0.725	S	S	*	*			trans	-72.7	110.7	-177.4	-61.6	176.1	0	0	0	110.6	I448	I446-I448 HydrophobicContact CG2-CG1 4.33Å; I446-I448 PolarHBondContact O-N 2.75Å; I446-I448 VanDerWaalsContact O-N 3.1Å
447	R	25.6	Very low	27.6	Very low	225 Å²	225	131.3 Å²	131.3	85%	0.849	71%	0.711	S	S	*	*			trans	-75.7	91.8	173.1	-176.6	-173.4	-75.4	-171.2	-3.9	110.2	P445 T449	P445-R447 PolarHBondContact O-N 3.48Å; R447-T449 PolarHBondContact O-N 3.33Å; R447-T449 VanDerWaalsContact O-N 3.15Å
448	I	26.9	Very low	27.9	Very low	130 Å²	130	134 Å²	134	67%	0.667	71%	0.713	S	S	*	*			trans	-66.2	112.1	173.1	-59.4	176.9	0	0	0	109.2	I446	I446-I448 HydrophobicContact CG2-CG1 4.33Å; I446-I448 PolarHBondContact O-N 2.75Å; I446-I448 VanDerWaalsContact O-N 3.1Å
449	T	30.6	Very low	28.1	Very low	81 Å²	81	130.9 Å²	130.9	50%	0.497	70%	0.702	S	S	.	*			trans	-81.5	161.3	175.1	51.5	0	0	0	0	111.4	R447 S451 G452	R447-T449 PolarHBondContact O-N 3.33Å; R447-T449 VanDerWaalsContact O-N 3.15Å; T449-S451 PolarHBondContact O-N 2.85Å; T449-S451 PolarHBondContact OG1-OG 3.48Å; T449-G452 PolarHBondContact O-N 2.86Å
450	K	30.9	Very low	28	Very low	192 Å²	192	128.3 Å²	128.3	84%	0.835	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-14.9	-174.1	-154.4	170.9	-176.6	178.5	0	114.3
451	S	31.7	Very low	28.2	Very low	79 Å²	79	124.7 Å²	124.7	55%	0.552	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-22.1	172.3	47.1	0	0	0	0	114.3	T449 I453 Q454	T449-S451 PolarHBondContact O-N 2.85Å; T449-S451 PolarHBondContact OG1-OG 3.48Å; S451-I453 PolarHBondContact O-N 2.79Å; S451-Q454 PolarHBondContact O-N 2.94Å
452	G	28.3	Very low	28.4	Very low	37 Å²	37	127.2 Å²	127.2	38%	0.381	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	-34.3	178.6	0	0	0	0	0	113.5	T449 Q454 S455	T449-G452 PolarHBondContact O-N 2.86Å; G452-Q454 VanDerWaalsContact C-N 3.33Å; G452-Q454 PolarHBondContact O-N 3.45Å; G452-S455 WeakPolarHBondContact O-CB 3.08Å; G452-S455 PolarHBondContact O-N 3.41Å
453	I	31.2	Very low	28.6	Very low	113 Å²	113	130 Å²	130	58%	0.579	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-71.3	-28.4	-178	-65.7	171.6	0	0	0	111.8	S451 S455 M456	S451-I453 PolarHBondContact O-N 2.79Å; I453-S455 PolarHBondContact O-N 3Å; I453-M456 PolarHBondContact O-N 2.63Å
454	Q	30.7	Very low	28.5	Very low	139 Å²	139	124.4 Å²	124.4	65%	0.65	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-73.7	-9.1	178.7	-68	179.7	-42.2	0	0	113.9	S451 G452 T457	S451-Q454 PolarHBondContact O-N 2.94Å; G452-Q454 VanDerWaalsContact C-N 3.33Å; G452-Q454 PolarHBondContact O-N 3.45Å; Q454-T457 PolarHBondContact O-OG1 3.2Å
455	S	31.8	Very low	28.6	Very low	96 Å²	96	126.7 Å²	126.7	67%	0.671	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-76.1	-32.2	173.1	-159.1	0	0	0	0	112.2	G452 I453 T457	G452-S455 WeakPolarHBondContact O-CB 3.08Å; G452-S455 PolarHBondContact O-N 3.41Å; I453-S455 PolarHBondContact O-N 3Å; S455-T457 VanDerWaalsContact C-N 3.28Å; S455-T457 PolarHBondContact O-N 3.4Å
456	M	28.5	Very low	28.7	Very low	171 Å²	171	127.8 Å²	127.8	84%	0.842	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-7.3	-178.6	-67.2	179.8	66.6	0	0	113.9	I453	I453-M456 PolarHBondContact O-N 2.63Å
457	T	28.7	Very low	28.6	Very low	94 Å²	94	125.8 Å²	125.8	58%	0.577	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	12.5	-178.3	45.6	0	0	0	0	114.4	Q454 S455	Q454-T457 PolarHBondContact O-OG1 3.2Å; S455-T457 VanDerWaalsContact C-N 3.28Å; S455-T457 PolarHBondContact O-N 3.4Å
458	K	30.2	Very low	28.5	Very low	171 Å²	171	122.1 Å²	122.1	74%	0.743	68%	0.68	S	S	*	*	S	Bend	trans	-96.6	-9.7	-178.3	-97.2	-175.6	174.7	-179.4	0	117
459	D	29.8	Very low	28.5	Very low	106 Å²	106	125 Å²	125	57%	0.567	69%	0.693	S	S	*	*	S	Bend	trans	-103.9	-1.8	171.3	-78.8	-62.4	0	0	0	114.1	S461 K462	D459-S461 PolarHBondContact O-N 3.39Å; D459-K462 PolarHBondContact O-N 3.4Å; D459-K462 IonicContact OD1-NZ 2.78Å; D459-K462 PolarHBondContact OD1-NZ 3.37Å
460	A	26.8	Very low	28.2	Very low	65 Å²	65	130.2 Å²	130.2	54%	0.537	71%	0.709	S	S	.	*	G	3₁₀ helix	trans	-64.5	-22.9	174.4	0	0	0	0	0	113.3	K462	A460-K462 PolarHBondContact O-N 3.24Å
461	S	28	Very low	27.8	Very low	92 Å²	92	126 Å²	126	64%	0.643	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-78.9	5.7	179.9	51.5	0	0	0	0	115	D459	D459-S461 PolarHBondContact O-N 3.39Å
462	K	30.9	Very low	27.6	Very low	165 Å²	165	132.4 Å²	132.4	72%	0.717	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-107.9	0.3	175.2	-69.7	175.5	-171.1	148.4	0	114.6	D459 A460	D459-K462 PolarHBondContact O-N 3.4Å; D459-K462 IonicContact OD1-NZ 2.78Å; D459-K462 PolarHBondContact OD1-NZ 3.37Å; A460-K462 PolarHBondContact O-N 3.24Å
463	L	27.2	Very low	27.3	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	74%	0.735	S	S	*	*	S	Bend	trans	-110.8	-4.2	-177.5	-82.8	165.2	0	0	0	114.9	N465	L463-N465 PolarHBondContact O-N 3.28Å
464	T	25.1	Very low	26.9	Very low	112 Å²	112	140.4 Å²	140.4	69%	0.687	75%	0.749	S	S	*	*	S	Bend	trans	-94.4	63.7	178.3	54.3	0	0	0	0	112.2
465	N	26.2	Very low	26.6	Very low	159 Å²	159	139.8 Å²	139.8	85%	0.85	76%	0.76	S	S	*	*			trans	-161.1	32.5	169.5	-114.9	-16.2	0	0	0	117.5	L463	L463-N465 PolarHBondContact O-N 3.28Å
466	V	26.2	Very low	26.3	Very low	146 Å²	146	138.7 Å²	138.7	89%	0.885	76%	0.764	S	S	*	*			trans	-134.4	56	167.5	-160.9	0	0	0	0	112
467	S	24.7	Very low	26.2	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	76%	0.76	S	S	*	*	S	Bend	trans	-121.3	22.5	167.7	52.7	0	0	0	0	112.4
468	N	24.5	Very low	26.4	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	75%	0.75	S	S	*	*			trans	-147.1	104.3	173.7	-101	-41.6	0	0	0	110.4
469	M	25.6	Very low	26.4	Very low	191 Å²	191	135 Å²	135	94%	0.941	75%	0.754	S	S	*	*			trans	-170.2	106.5	146.2	-103.4	-57.5	159.1	0	0	108.6
470	K	24.2	Very low	26.2	Very low	191 Å²	191	134.6 Å²	134.6	83%	0.83	75%	0.751	S	S	*	*			trans	-76.4	135.9	170.6	-68	174.2	179.3	172.6	0	108.9
471	S	23.2	Very low	26.2	Very low	103 Å²	103	136.3 Å²	136.3	72%	0.72	76%	0.758	S	S	*	*			trans	37.3	111.1	149.8	60.6	0	0	0	0	118.9
472	K	28	Very low	26.1	Very low	213 Å²	213	141.3 Å²	141.3	93%	0.926	77%	0.768	S	S	*	*				-163.8	169.8	128.6	-107.8	155.9	-170.1	-178.2	0	113.4
473	S	22.2	Very low	26.1	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	78%	0.776	S	S	*	*			trans	-99.3	151.3	-159.7	43.9	0	0	0	0	114.4
474	Y	22.9	Very low	26	Very low	222 Å²	222	142.1 Å²	142.1	87%	0.871	78%	0.775	S	S	*	*			trans	48.2	111.6	154.9	-81.7	-99.2	0	0	0	119.6
475	S	24.5	Very low	26.1	Very low	125 Å²	125	144.7 Å²	144.7	87%	0.874	79%	0.785	S	S	*	*				161.6	159.7	106.1	53.7	0	0	0	0	112.4
476	G	26	Very low	26.4	Very low	73 Å²	73	141.6 Å²	141.6	75%	0.753	77%	0.771	S	S	*	*			trans	84.2	91.5	160.5	0	0	0	0	0	118.7
477	N	25.8	Very low	26.8	Very low	142 Å²	142	143.7 Å²	143.7	76%	0.759	77%	0.769	S	S	*	*			trans	-101.7	156.6	137.8	-93.9	-34.6	0	0	0	106.5
478	P	32.6	Very low	27.4	Very low	58 Å²	58	143.6 Å²	143.6	38%	0.377	77%	0.768	S	S	.	*			cis	-140.8	168.4	30.1	42.3	-26	0	0	0	117.1	N210	N210-P478 WeakPolarHBondContact ND2-CB 3.39Å
479	I	30.8	Very low	28.3	Very low	160 Å²	160	141.3 Å²	141.3	82%	0.821	76%	0.759	S	S	*	*			trans	-134.5	123.4	149	-61.1	-177.4	0	0	0	109.7
480	I	25.7	Very low	28.8	Very low	97 Å²	97	135 Å²	135	50%	0.497	73%	0.729	S	S	.	*			trans	-105.1	155.6	158.2	-72.9	176.5	0	0	0	107.5	N210	N210-I480 WeakPolarHBondContact ND2-CD1 3.47Å; N210-I480 WeakPolarHBondContact OD1-CD1 3.26Å
481	S	25.7	Very low	29.3	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	73%	0.727	S	S	*	*			trans	75.7	110	175.5	77.8	0	0	0	0	116.6
482	K	27.1	Very low	29.9	Very low	197 Å²	197	135.3 Å²	135.3	86%	0.857	72%	0.719	S	S	*	*			trans	-177.1	37.9	140.5	-104.8	175.5	-174.6	179.9	0	114.7
483	Y	29.9	Very low	30.6	Very low	226 Å²	226	130.3 Å²	130.3	89%	0.886	70%	0.702	S	S	*	*			trans	-139.3	98.6	163	-83.2	-66.8	0	0	0	112
484	S	26.1	Very low	31.6	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	70%	0.704	S	S	*	*			trans	-98	146.4	163.2	-55.2	0	0	0	0	108.4
485	N	27.3	Very low	32.9	Very low	167 Å²	167	128.3 Å²	128.3	89%	0.893	70%	0.696	S	S	*	*			trans	65.2	73.9	175.9	-62.6	-25.3	0	0	0	117.6
486	T	31.9	Very low	34.1	Very low	93 Å²	93	124.6 Å²	124.6	57%	0.571	67%	0.666	S	S	*	*			trans	-119.7	140.4	142.7	55.2	0	0	0	0	109.6	D490	T486-D490 WeakPolarHBondContact CB-OD2 3.45Å; T486-D490 PolarHBondContact OG1-OD2 3.31Å
487	K	33.6	Very low	35.6	Very low	191 Å²	191	122.8 Å²	122.8	83%	0.83	65%	0.648	S	S	*	*			trans	-91.2	129.6	-177.2	-71.2	-178.6	179.1	177.7	0	110.5	V489	K487-V489 PolarHBondContact O-N 3.14Å
488	S	37.7	Very low	37.3	Very low	110 Å²	110	122.6 Å²	122.6	77%	0.769	66%	0.655	S	S	*	*	S	Bend	trans	52	-28.7	165.8	54.8	0	0	0	0	121.3
489	V	43.2	Very low	38.9	Very low	101 Å²	101	125.9 Å²	125.9	61%	0.612	67%	0.669	S	S	*	*	S	Bend	trans	-81.3	-42.8	-169.5	-176.1	0	0	0	0	113.1	K487 R491 T492	K487-V489 PolarHBondContact O-N 3.14Å; V489-R491 VanDerWaalsContact C-N 3.32Å; V489-R491 PolarHBondContact O-N 3.12Å; V489-T492 PolarHBondContact O-N 2.82Å
490	D	37.8	Very low	41.1	Very low	59 Å²	59	120.2 Å²	120.2	32%	0.316	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.5	-23.6	-170	-77.6	-55.2	0	0	0	115.5	T486 T492 L493 I494	T486-D490 WeakPolarHBondContact CB-OD2 3.45Å; T486-D490 PolarHBondContact OG1-OD2 3.31Å; D490-T492 PolarHBondContact O-N 3.31Å; D490-T492 VanDerWaalsContact O-N 3.12Å; D490-L493 PolarHBondContact O-N 3.1Å; D490-I494 HydrophobicContact CB-CD1 4.25Å; D490-I494 WeakPolarHBondContact O-CG1 3.4Å; D490-I494 PolarHBondContact O-N 3.14Å
491	R	33	Very low	43.9	Very low	209 Å²	209	120.3 Å²	120.3	79%	0.789	64%	0.638	S	S	*	*	H	α-helix	trans	-59.8	-26.6	178.2	-81.3	-174.9	172	145.6	-0.3	112.7	V489	V489-R491 VanDerWaalsContact C-N 3.32Å; V489-R491 PolarHBondContact O-N 3.12Å
492	T	37.3	Very low	46.9	Very low	90 Å²	90	118.3 Å²	118.3	55%	0.552	63%	0.628	S	S	*	*	H	α-helix	trans	-76.5	-28.1	175.6	-46.8	0	0	0	0	112.3	V489 D490 N496	V489-T492 PolarHBondContact O-N 2.82Å; D490-T492 PolarHBondContact O-N 3.31Å; D490-T492 VanDerWaalsContact O-N 3.12Å; T492-N496 VanDerWaalsContact O-CB 3.24Å; T492-N496 WeakPolarHBondContact O-CB 3.31Å; T492-N496 PolarHBondContact O-ND2 3.14Å
493	L	41.2	Very low	49.9	Very low	109 Å²	109	109 Å²	109	57%	0.571	59%	0.588	S	S	*	*	H	α-helix	trans	-86.8	-35.4	179.8	-74.7	164.8	0	0	0	112.5	D490 I495 N496	D490-L493 PolarHBondContact O-N 3.1Å; L493-I495 VanDerWaalsContact C-N 3.26Å; L493-I495 PolarHBondContact O-N 3.29Å; L493-N496 CarbonylContact O-C 3.31Å; L493-N496 VanDerWaalsContact O-C 3.31Å; L493-N496 PolarHBondContact O-N 3.49Å; L493-N496 VanDerWaalsContact O-N 3.1Å
494	I	43.9	Very low	52.5	Low	138 Å²	138	108.3 Å²	108.3	71%	0.708	59%	0.589	S	S	*	*	H	α-helix	trans	-64.7	-30.1	179.1	-65.5	166.2	0	0	0	112	D490	D490-I494 HydrophobicContact CB-CD1 4.25Å; D490-I494 WeakPolarHBondContact O-CG1 3.4Å; D490-I494 PolarHBondContact O-N 3.14Å
495	I	50.7	Low	55.2	Low	139 Å²	139	107.6 Å²	107.6	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-81.6	-33	173.2	-60.8	172.2	0	0	0	111.2	L493 G497	L493-I495 VanDerWaalsContact C-N 3.26Å; L493-I495 PolarHBondContact O-N 3.29Å; I495-G497 PolarHBondContact O-N 3.46Å
496	N	50	Low	58.1	Low	46 Å²	46	101.1 Å²	101.1	25%	0.246	54%	0.543	C	S	.	.	S	Bend	trans	-105.4	65.8	-171.6	-61.4	-24.8	0	0	0	111.6	T492 L493 S500	T492-N496 VanDerWaalsContact O-CB 3.24Å; T492-N496 WeakPolarHBondContact O-CB 3.31Å; T492-N496 PolarHBondContact O-ND2 3.14Å; L493-N496 CarbonylContact O-C 3.31Å; L493-N496 VanDerWaalsContact O-C 3.31Å; L493-N496 PolarHBondContact O-N 3.49Å; L493-N496 VanDerWaalsContact O-N 3.1Å; N496-S500 WeakPolarHBondContact CA-OG 3.49Å; N496-S500 WeakPolarHBondContact CB-OG 3.49Å
497	G	56.2	Low	60.5	Low	35 Å²	35	100.9 Å²	100.9	36%	0.361	55%	0.546	S	S	.	.			trans	-54.5	161.4	171	0	0	0	0	0	112.5	I495 N499 S500	I495-G497 PolarHBondContact O-N 3.46Å; G497-N499 PolarHBondContact O-N 3.24Å; G497-S500 WeakPolarHBondContact O-CB 3.26Å; G497-S500 PolarHBondContact O-N 3.34Å; G497-S500 PolarHBondContact O-OG 2.57Å
498	P	60.9	Low	62.9	Low	139 Å²	139	97.7 Å²	97.7	90%	0.903	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.7	-165.5	22.2	-34.1	0	0	0	115.8
499	N	66.7	Low	65.2	Low	126 Å²	126	95.2 Å²	95.2	67%	0.674	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	24.8	175.6	-63.9	-31.5	0	0	0	113	G497 Y501	G497-N499 PolarHBondContact O-N 3.24Å; N499-Y501 VanDerWaalsContact O-CD2 3.27Å; N499-Y501 WeakPolarHBondContact O-CD2 3.47Å; N499-Y501 WeakPolarHBondContact O-CE2 3.5Å
500	S	78.3	Confident	67.4	Low	42 Å²	42	93.3 Å²	93.3	29%	0.294	49%	0.494	S	S	.	.			trans	-99.5	140.6	-178.2	64.5	0	0	0	0	112.7	N496 G497	N496-S500 WeakPolarHBondContact CA-OG 3.49Å; N496-S500 WeakPolarHBondContact CB-OG 3.49Å; G497-S500 WeakPolarHBondContact O-CB 3.26Å; G497-S500 PolarHBondContact O-N 3.34Å; G497-S500 PolarHBondContact O-OG 2.57Å
501	Y	84.6	Confident	69.7	Low	98 Å²	98	95.4 Å²	95.4	38%	0.384	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	97.2	-167.7	-67.3	-89.1	0	0	0	110.7	N499 Y510 A513	N499-Y501 VanDerWaalsContact O-CD2 3.27Å; N499-Y501 WeakPolarHBondContact O-CD2 3.47Å; N499-Y501 WeakPolarHBondContact O-CE2 3.5Å; Y501-Y510 WeakPolarHBondContact CB-O 3.45Å; Y501-Y510 PolarHBondContact N-O 2.87Å; Y501-Y510 PolarHBondContact O-N 3.12Å; Y501-A513 HydrophobicContact CD1-CB 3.78Å; Y501-A513 HydrophobicContact CD2-CB 4.36Å; Y501-A513 HydrophobicContact CE1-CB 3.51Å; Y501-A513 HydrophobicContact CE2-CB 4.13Å; Y501-A513 HydrophobicContact CG-CB 4.2Å
502	A	87.6	Confident	72.3	Confident	58 Å²	58	90.9 Å²	90.9	48%	0.479	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.6	-178.8	0	0	0	0	0	113.4	V509	A502-V509 HydrophobicContact CB-CG2 4.08Å
503	C	89.3	Confident	74.8	Confident	3 Å²	3	88.9 Å²	88.9	2%	0.02	49%	0.494	C	S	.	.			trans	-81.7	115.9	174.5	-169.9	0	0	0	0	111.9	L505 C506 S507 K508 L516 H519	C503-L505 PolarHBondContact O-N 3.1Å; C503-C506 PolarHBondContact O-N 2.91Å; C503-S507 VanDerWaalsContact O-CA 3.25Å; C503-S507 WeakPolarHBondContact O-CA 3.46Å; C503-S507 PolarHBondContact O-N 3.25Å; C503-K508 WeakPolarHBondContact CB-O 3.49Å; C503-K508 PolarHBondContact N-O 3.45Å; C503-L516 HydrophobicContact CB-CD1 3.6Å; C503-H519 PolarHBondContact SG-NE2 3.25Å
504	K	84.9	Confident	77	Confident	211 Å²	211	86.7 Å²	86.7	92%	0.917	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.1	177.3	-61.7	-172.2	178.2	-174	0	115
505	L	83.5	Confident	79.1	Confident	96 Å²	96	81.9 Å²	81.9	50%	0.503	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-18.8	-176.8	-61.6	176.9	0	0	0	114.2	T57 C503 H523	T57-L505 WeakPolarHBondContact CG2-O 3.25Å; C503-L505 PolarHBondContact O-N 3.1Å; L505-H523 HydrophobicContact CD1-CB 3.61Å
506	C	86.9	Confident	81	Confident	30 Å²	30	76.6 Å²	76.6	20%	0.203	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-155.8	24.2	175.2	77.8	0	0	0	0	114.6	T57 C503 K508 H519 H523	T57-C506 HydrophobicContact CG2-CB 3.92Å; C503-C506 PolarHBondContact O-N 2.91Å; C506-K508 PolarHBondContact O-N 2.94Å; C506-H519 PolarHBondContact SG-NE2 3.38Å; C506-H523 VanDerWaalsContact SG-CE1 3.59Å; C506-H523 PolarHBondContact SG-NE2 3.2Å; C506-H523 VanDerWaalsContact SG-NE2 3.45Å
507	S	82.4	Confident	82.8	Confident	89 Å²	89	81.4 Å²	81.4	62%	0.622	46%	0.46	S	S	*	.			trans	55.5	2.5	175.2	-56.4	0	0	0	0	117.9	C503 V509	C503-S507 VanDerWaalsContact O-CA 3.25Å; C503-S507 WeakPolarHBondContact O-CA 3.46Å; C503-S507 PolarHBondContact O-N 3.25Å; S507-V509 PolarHBondContact O-N 3.28Å
508	K	84.2	Confident	84.1	Confident	124 Å²	124	82.2 Å²	82.2	54%	0.539	46%	0.456	S	S	.	.			trans	-64.6	130.5	176.6	-72.4	-179.8	-178.5	174.9	0	110.9	C503 C506 Y510	C503-K508 WeakPolarHBondContact CB-O 3.49Å; C503-K508 PolarHBondContact N-O 3.45Å; C506-K508 PolarHBondContact O-N 2.94Å; K508-Y510 HydrophobicContact CB-CE2 3.78Å; K508-Y510 WeakPolarHBondContact O-CE2 3.47Å
509	V	85.8	Confident	85.3	Confident	58 Å²	58	76.5 Å²	76.5	35%	0.352	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.3	-176.5	-172.2	0	0	0	0	110.7	A502 S507	A502-V509 HydrophobicContact CB-CG2 4.08Å; S507-V509 PolarHBondContact O-N 3.28Å
510	Y	89.4	Confident	86.1	Confident	60 Å²	60	73 Å²	73	24%	0.235	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.3	-178.6	-65.1	-89.3	0	0	0	110.8	Y501 K508 Q512 A515 L516 H519	Y501-Y510 WeakPolarHBondContact CB-O 3.45Å; Y501-Y510 PolarHBondContact N-O 2.87Å; Y501-Y510 PolarHBondContact O-N 3.12Å; K508-Y510 HydrophobicContact CB-CE2 3.78Å; K508-Y510 WeakPolarHBondContact O-CE2 3.47Å; Y510-Q512 PolarHBondContact O-N 3.35Å; Y510-A515 HydrophobicContact CD1-CB 3.78Å; Y510-A515 HydrophobicContact CG-CB 4.24Å; Y510-L516 HydrophobicContact CD2-CB 4.13Å; Y510-L516 HydrophobicContact CD2-CD1 4.02Å; Y510-L516 HydrophobicContact CE2-CD1 4.4Å; Y510-L516 HydrophobicContact CG-CB 4.34Å; Y510-H519 HydrophobicContact CE1-CB 4.2Å; Y510-H519 HydrophobicContact CE2-CB 3.89Å; Y510-H519 AromaticContact CE2-CD2 3.28Å; Y510-H519 WeakPolarHBondContact CE2-CD2 3.42Å; Y510-H519 AromaticContact CE2-CG 3.73Å; Y510-H519 AromaticContact CZ-CD2 3.6Å; Y510-H519 AromaticContact CZ-CG 3.59Å; Y510-H519 PolarHBondContact OH-CD2 3.21Å
511	S	87.2	Confident	86.4	Confident	104 Å²	104	76 Å²	76	73%	0.727	41%	0.405	S	S	*	.	S	Bend	trans	-74.9	-2.8	175.9	52.5	0	0	0	0	114.2
512	Q	87	Confident	86.2	Confident	113 Å²	113	74.5 Å²	74.5	53%	0.528	41%	0.406	S	S	.	.	S	Bend	trans	-144	139.7	180	-57.6	-176.3	4.2	0	0	111.6	Y510 S514 A515 L516	Y510-Q512 PolarHBondContact O-N 3.35Å; Q512-S514 VanDerWaalsContact CB-OG 3.31Å; Q512-S514 WeakPolarHBondContact CB-OG 3.4Å; Q512-S514 PolarHBondContact O-N 3.4Å; Q512-S514 PolarHBondContact OE1-OG 3.5Å; Q512-A515 HydrophobicContact CB-CB 4.26Å; Q512-A515 PolarHBondContact O-N 2.98Å; Q512-A515 VanDerWaalsContact O-N 3.14Å; Q512-L516 PolarHBondContact O-N 3Å; Q512-L516 VanDerWaalsContact O-N 3.1Å
513	A	89.2	Confident	85.8	Confident	48 Å²	48	75.3 Å²	75.3	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-32.5	175.9	0	0	0	0	0	112.6	Y501 L516 K517	Y501-A513 HydrophobicContact CD1-CB 3.78Å; Y501-A513 HydrophobicContact CD2-CB 4.36Å; Y501-A513 HydrophobicContact CE1-CB 3.51Å; Y501-A513 HydrophobicContact CE2-CB 4.13Å; Y501-A513 HydrophobicContact CG-CB 4.2Å; A513-L516 PolarHBondContact O-N 3.42Å; A513-K517 VanDerWaalsContact O-CB 3.26Å; A513-K517 WeakPolarHBondContact O-CB 3.33Å; A513-K517 PolarHBondContact O-N 2.81Å
514	S	89.1	Confident	85.2	Confident	64 Å²	64	79.2 Å²	79.2	45%	0.448	42%	0.423	S	S	.	.	H	α-helix	trans	-59	-46.7	172.9	53	0	0	0	0	111.9	Q512 K517 M518	Q512-S514 VanDerWaalsContact CB-OG 3.31Å; Q512-S514 WeakPolarHBondContact CB-OG 3.4Å; Q512-S514 PolarHBondContact O-N 3.4Å; Q512-S514 PolarHBondContact OE1-OG 3.5Å; S514-K517 PolarHBondContact O-N 3.21Å; S514-M518 WeakPolarHBondContact O-CB 3.12Å; S514-M518 WeakPolarHBondContact O-CG 3.35Å; S514-M518 PolarHBondContact O-N 3.08Å
515	A	88.2	Confident	85.1	Confident	36 Å²	36	72.4 Å²	72.4	30%	0.298	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-43.5	178.6	0	0	0	0	0	111.5	Y510 Q512 K517 M518 H519	Y510-A515 HydrophobicContact CD1-CB 3.78Å; Y510-A515 HydrophobicContact CG-CB 4.24Å; Q512-A515 HydrophobicContact CB-CB 4.26Å; Q512-A515 PolarHBondContact O-N 2.98Å; Q512-A515 VanDerWaalsContact O-N 3.14Å; A515-K517 PolarHBondContact O-N 3.25Å; A515-M518 PolarHBondContact O-N 3.43Å; A515-H519 WeakPolarHBondContact O-CB 3.46Å; A515-H519 PolarHBondContact O-N 3.09Å
516	L	89.8	Confident	84.9	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-47.5	171.7	174.2	60.6	0	0	0	111.4	C503 Y510 Q512 A513 M518 H519 V520	C503-L516 HydrophobicContact CB-CD1 3.6Å; Y510-L516 HydrophobicContact CD2-CB 4.13Å; Y510-L516 HydrophobicContact CD2-CD1 4.02Å; Y510-L516 HydrophobicContact CE2-CD1 4.4Å; Y510-L516 HydrophobicContact CG-CB 4.34Å; Q512-L516 PolarHBondContact O-N 3Å; Q512-L516 VanDerWaalsContact O-N 3.1Å; A513-L516 PolarHBondContact O-N 3.42Å; L516-M518 PolarHBondContact O-N 3.01Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 WeakPolarHBondContact O-CA 3.3Å; L516-H519 PolarHBondContact O-N 3.03Å; L516-V520 HydrophobicContact CD1-CG2 3.92Å; L516-V520 HydrophobicContact CG-CG2 4.32Å; L516-V520 WeakPolarHBondContact O-CG2 3.47Å; L516-V520 PolarHBondContact O-N 3.29Å
517	K	86.7	Confident	84.7	Confident	146 Å²	146	71.3 Å²	71.3	64%	0.635	40%	0.395	S	S	*	.	H	α-helix	trans	-61.3	-33.7	179.2	-171.1	171.1	-175.3	172.6	0	112.2	A513 S514 A515	A513-K517 VanDerWaalsContact O-CB 3.26Å; A513-K517 WeakPolarHBondContact O-CB 3.33Å; A513-K517 PolarHBondContact O-N 2.81Å; S514-K517 PolarHBondContact O-N 3.21Å; A515-K517 PolarHBondContact O-N 3.25Å
518	M	83.8	Confident	84.8	Confident	53 Å²	53	75.4 Å²	75.4	26%	0.261	40%	0.397	S	S	.	.	H	α-helix	trans	-75.9	-28.1	172.7	-75.1	-51.5	-48.7	0	0	113.9	S514 A515 L516 R521 R538	S514-M518 WeakPolarHBondContact O-CB 3.12Å; S514-M518 WeakPolarHBondContact O-CG 3.35Å; S514-M518 PolarHBondContact O-N 3.08Å; A515-M518 PolarHBondContact O-N 3.43Å; L516-M518 PolarHBondContact O-N 3.01Å; M518-R521 PolarHBondContact SD-NH1 2.89Å; M518-R538 HydrophobicContact CE-CG 3.88Å
519	H	86.6	Confident	85.1	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.088	37%	0.372	C	S	.	.	H	α-helix	trans	-76.1	-39	172.2	169.1	46.2	0	0	0	112.6	C503 C506 Y510 A515 L516 R521 T522 H523	C503-H519 PolarHBondContact SG-NE2 3.25Å; C506-H519 PolarHBondContact SG-NE2 3.38Å; Y510-H519 HydrophobicContact CE1-CB 4.2Å; Y510-H519 HydrophobicContact CE2-CB 3.89Å; Y510-H519 AromaticContact CE2-CD2 3.28Å; Y510-H519 WeakPolarHBondContact CE2-CD2 3.42Å; Y510-H519 AromaticContact CE2-CG 3.73Å; Y510-H519 AromaticContact CZ-CD2 3.6Å; Y510-H519 AromaticContact CZ-CG 3.59Å; Y510-H519 PolarHBondContact OH-CD2 3.21Å; A515-H519 WeakPolarHBondContact O-CB 3.46Å; A515-H519 PolarHBondContact O-N 3.09Å; L516-H519 CarbonylContact O-C 3.56Å; L516-H519 WeakPolarHBondContact O-CA 3.3Å; L516-H519 PolarHBondContact O-N 3.03Å; H519-R521 PolarHBondContact O-N 3.35Å; H519-R521 VanDerWaalsContact O-N 3.1Å; H519-T522 PolarHBondContact ND1-OG1 3.01Å; H519-T522 VanDerWaalsContact ND1-OG1 3.15Å; H519-T522 WeakPolarHBondContact O-CB 3.42Å; H519-T522 PolarHBondContact O-N 3.1Å; H519-T522 PolarHBondContact O-OG1 2.92Å; H519-H523 AromaticContact CE1-CD2 3.89Å; H519-H523 AromaticContact CE1-CE1 3.72Å; H519-H523 AromaticContact CE1-NE2 3.12Å; H519-H523 PolarHBondContact CE1-NE2 3.19Å; H519-H523 AromaticContact NE2-CD2 3.94Å; H519-H523 AromaticContact NE2-NE2 3.14Å; H519-H523 PolarHBondContact NE2-NE2 3.2Å; H519-H523 VanDerWaalsContact NE2-NE2 3.14Å
520	V	83.9	Confident	85.1	Confident	51 Å²	51	72.5 Å²	72.5	31%	0.309	39%	0.39	S	S	.	.	H	α-helix	trans	-58	-30.2	175.7	172.8	0	0	0	0	111.5	L516 T522 H523 T524	L516-V520 HydrophobicContact CD1-CG2 3.92Å; L516-V520 HydrophobicContact CG-CG2 4.32Å; L516-V520 WeakPolarHBondContact O-CG2 3.47Å; L516-V520 PolarHBondContact O-N 3.29Å; V520-T522 PolarHBondContact O-N 3.34Å; V520-H523 WeakPolarHBondContact O-CB 3.27Å; V520-H523 PolarHBondContact O-N 2.98Å; V520-T524 HydrophobicContact CG1-CG2 4.46Å; V520-T524 PolarHBondContact O-N 2.87Å; V520-T524 VanDerWaalsContact O-N 3.1Å; V520-T524 PolarHBondContact O-OG1 3.39Å
521	R	83.6	Confident	84.8	Confident	107 Å²	107	75.8 Å²	75.8	40%	0.404	41%	0.407	S	S	.	.	H	α-helix	trans	-66	-15.6	171.3	-71.1	174.4	166.6	164.7	-7.3	115	M518 H519 L525 P526 S537	M518-R521 PolarHBondContact SD-NH1 2.89Å; H519-R521 PolarHBondContact O-N 3.35Å; H519-R521 VanDerWaalsContact O-N 3.1Å; R521-L525 WeakPolarHBondContact O-CA 3.22Å; R521-L525 PolarHBondContact O-N 2.87Å; R521-P526 HydrophobicContact CG-CG 4.35Å; R521-S537 WeakPolarHBondContact O-CA 3.41Å; R521-S537 WeakPolarHBondContact O-CB 3.37Å
522	T	81.8	Confident	84.9	Confident	66 Å²	66	72.1 Å²	72.1	41%	0.405	38%	0.381	S	S	.	.	H	α-helix	trans	-79	-21.5	169.7	70	0	0	0	0	112.4	H519 V520 L525	H519-T522 PolarHBondContact ND1-OG1 3.01Å; H519-T522 VanDerWaalsContact ND1-OG1 3.15Å; H519-T522 WeakPolarHBondContact O-CB 3.42Å; H519-T522 PolarHBondContact O-N 3.1Å; H519-T522 PolarHBondContact O-OG1 2.92Å; V520-T522 PolarHBondContact O-N 3.34Å; T522-L525 WeakPolarHBondContact O-CD2 3.22Å
523	H	79.1	Confident	84.6	Confident	75 Å²	75	67.9 Å²	67.9	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-86.2	-37.1	172.4	-59.3	-58.3	0	0	0	112.1	L505 C506 H519 V520	L505-H523 HydrophobicContact CD1-CB 3.61Å; C506-H523 VanDerWaalsContact SG-CE1 3.59Å; C506-H523 PolarHBondContact SG-NE2 3.2Å; C506-H523 VanDerWaalsContact SG-NE2 3.45Å; H519-H523 AromaticContact CE1-CD2 3.89Å; H519-H523 AromaticContact CE1-CE1 3.72Å; H519-H523 AromaticContact CE1-NE2 3.12Å; H519-H523 PolarHBondContact CE1-NE2 3.19Å; H519-H523 AromaticContact NE2-CD2 3.94Å; H519-H523 AromaticContact NE2-NE2 3.14Å; H519-H523 PolarHBondContact NE2-NE2 3.2Å; H519-H523 VanDerWaalsContact NE2-NE2 3.14Å; V520-H523 WeakPolarHBondContact O-CB 3.27Å; V520-H523 PolarHBondContact O-N 2.98Å
524	T	76.5	Confident	84.4	Confident	84 Å²	84	71.2 Å²	71.2	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-93.1	-12.7	-177	60.8	0	0	0	0	115.3	V520 P526	V520-T524 HydrophobicContact CG1-CG2 4.46Å; V520-T524 PolarHBondContact O-N 2.87Å; V520-T524 VanDerWaalsContact O-N 3.1Å; V520-T524 PolarHBondContact O-OG1 3.39Å; T524-P526 VanDerWaalsContact O-N 3.16Å
525	L	82.9	Confident	84.3	Confident	68 Å²	68	70.7 Å²	70.7	36%	0.356	37%	0.37	S	S	.	.			trans	36.1	56.4	175.9	-59.1	177.9	0	0	0	115.1	R521 T522 C527 S535 F536	R521-L525 WeakPolarHBondContact O-CA 3.22Å; R521-L525 PolarHBondContact O-N 2.87Å; T522-L525 WeakPolarHBondContact O-CD2 3.22Å; L525-C527 PolarHBondContact O-N 3.03Å; L525-S535 WeakPolarHBondContact O-CB 3.28Å; L525-F536 CarbonylContact C-O 3.59Å; L525-F536 WeakPolarHBondContact CA-O 3.4Å
526	P	79.8	Confident	84.2	Confident	77 Å²	77	71 Å²	71	50%	0.5	37%	0.365	S	S	.	.			trans	-71.3	-3.9	-162.8	29.6	-38.3	0	0	0	116	R521 T524	R521-P526 HydrophobicContact CG-CG 4.35Å; T524-P526 VanDerWaalsContact O-N 3.16Å
527	C	82.6	Confident	84	Confident	26 Å²	26	70.5 Å²	70.5	18%	0.176	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	94.6	-178.2	-61.5	0	0	0	0	110.1	L525 F536 K539 L542	L525-C527 PolarHBondContact O-N 3.03Å; C527-F536 HydrophobicContact CB-CB 4.29Å; C527-F536 WeakPolarHBondContact CB-O 3.44Å; C527-F536 PolarHBondContact N-O 2.86Å; C527-F536 PolarHBondContact O-N 3.28Å; C527-K539 PolarHBondContact SG-N 3.39Å; C527-L542 HydrophobicContact CB-CB 4.02Å; C527-L542 HydrophobicContact CB-CD2 3.85Å
528	R	84.2	Confident	83.8	Confident	175 Å²	175	68.5 Å²	68.5	66%	0.66	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.9	-179.8	-164.3	177.5	-168.5	-160.9	0.8	112	G533 K534	R528-G533 WeakPolarHBondContact CG-O 3.38Å; R528-G533 PolarHBondContact NE-O 2.56Å; R528-K534 CarbonylContact C-O 3.16Å; R528-K534 WeakPolarHBondContact CA-O 3.26Å
529	C	89.6	Confident	84	Confident	3 Å²	3	74 Å²	74	2%	0.02	37%	0.374	C	S	.	.			trans	-75.4	128.6	171.6	-177.4	0	0	0	0	110.8	G533 K534 F536 L542 H549	C529-G533 VanDerWaalsContact O-CA 3.22Å; C529-G533 WeakPolarHBondContact O-CA 3.46Å; C529-G533 PolarHBondContact O-N 3.19Å; C529-K534 WeakPolarHBondContact CB-O 3.25Å; C529-K534 PolarHBondContact N-O 3.18Å; C529-F536 HydrophobicContact CB-CE2 4.34Å; C529-L542 HydrophobicContact CB-CD1 3.59Å; C529-H549 PolarHBondContact SG-NE2 3.05Å
530	T	87	Confident	83.9	Confident	119 Å²	119	80.7 Å²	80.7	73%	0.73	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-41.3	176.9	47.5	0	0	0	0	112.5
531	H	83.2	Confident	84	Confident	128 Å²	128	81.2 Å²	81.2	59%	0.593	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-32.3	-173.8	-62.7	-75	0	0	0	114.8	H549	H531-H549 HydrophobicContact CB-CB 4.42Å
532	C	87.8	Confident	84.2	Confident	27 Å²	27	76.9 Å²	76.9	18%	0.182	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	5.5	-175.2	74.5	0	0	0	0	115.3	K534 H545 H549	C532-K534 PolarHBondContact O-N 3.23Å; C532-K534 VanDerWaalsContact O-N 3.12Å; C532-H545 PolarHBondContact SG-NE2 2.91Å; C532-H549 WeakPolarHBondContact CB-CE1 3.07Å; C532-H549 WeakPolarHBondContact CB-NE2 3.35Å; C532-H549 PolarHBondContact SG-CE1 3.38Å; C532-H549 PolarHBondContact SG-NE2 2.81Å
533	G	81.7	Confident	84.4	Confident	25 Å²	25	79.5 Å²	79.5	26%	0.258	39%	0.39	S	S	.	.			trans	71.6	-1.3	175.6	0	0	0	0	0	116.4	R528 C529	R528-G533 WeakPolarHBondContact CG-O 3.38Å; R528-G533 PolarHBondContact NE-O 2.56Å; C529-G533 VanDerWaalsContact O-CA 3.22Å; C529-G533 WeakPolarHBondContact O-CA 3.46Å; C529-G533 PolarHBondContact O-N 3.19Å
534	K	84	Confident	84.8	Confident	118 Å²	118	77.4 Å²	77.4	51%	0.513	39%	0.389	S	S	.	.			trans	-65.8	140.4	178.2	-72.1	-176.2	178.2	-176.5	0	111.7	R528 C529 C532 F536	R528-K534 CarbonylContact C-O 3.16Å; R528-K534 WeakPolarHBondContact CA-O 3.26Å; C529-K534 WeakPolarHBondContact CB-O 3.25Å; C529-K534 PolarHBondContact N-O 3.18Å; C532-K534 PolarHBondContact O-N 3.23Å; C532-K534 VanDerWaalsContact O-N 3.12Å; K534-F536 HydrophobicContact CB-CE2 3.81Å; K534-F536 HydrophobicContact CB-CZ 4.11Å; K534-F536 WeakPolarHBondContact O-CE2 3.11Å
535	S	87.5	Confident	85.4	Confident	53 Å²	53	74.6 Å²	74.6	37%	0.371	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.3	-174.6	-61	0	0	0	0	112.7	L525	L525-S535 WeakPolarHBondContact O-CB 3.28Å
536	F	86.4	Confident	85.6	Confident	43 Å²	43	74.2 Å²	74.2	19%	0.189	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.7	-171.9	-62.2	-91.6	0	0	0	112.3	L525 C527 C529 K534 R538 L541 L542 H545	L525-F536 CarbonylContact C-O 3.59Å; L525-F536 WeakPolarHBondContact CA-O 3.4Å; C527-F536 HydrophobicContact CB-CB 4.29Å; C527-F536 WeakPolarHBondContact CB-O 3.44Å; C527-F536 PolarHBondContact N-O 2.86Å; C527-F536 PolarHBondContact O-N 3.28Å; C529-F536 HydrophobicContact CB-CE2 4.34Å; K534-F536 HydrophobicContact CB-CE2 3.81Å; K534-F536 HydrophobicContact CB-CZ 4.11Å; K534-F536 WeakPolarHBondContact O-CE2 3.11Å; F536-R538 VanDerWaalsContact C-N 3.32Å; F536-R538 PolarHBondContact O-N 3.26Å; F536-L541 HydrophobicContact CB-CB 4.25Å; F536-L541 HydrophobicContact CD1-CB 4.02Å; F536-L541 HydrophobicContact CG-CB 4.46Å; F536-L542 HydrophobicContact CB-CB 4.28Å; F536-L542 HydrophobicContact CD2-CB 4.14Å; F536-L542 HydrophobicContact CD2-CD1 3.96Å; F536-L542 HydrophobicContact CE2-CD1 4.21Å; F536-L542 HydrophobicContact CG-CB 4.33Å; F536-H545 HydrophobicContact CE1-CB 4.01Å; F536-H545 HydrophobicContact CE2-CB 4.15Å; F536-H545 AromaticContact CE2-CD2 3.27Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.31Å; F536-H545 AromaticContact CE2-CG 3.88Å; F536-H545 HydrophobicContact CZ-CB 3.6Å; F536-H545 AromaticContact CZ-CD2 3.26Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.18Å; F536-H545 AromaticContact CZ-CG 3.4Å
537	S	85.7	Confident	86.1	Confident	17 Å²	17	72.2 Å²	72.2	12%	0.119	35%	0.349	C	S	.	.	S	Bend	trans	-76.6	-12.9	-179.6	60.7	0	0	0	0	114.8	R521	R521-S537 WeakPolarHBondContact O-CA 3.41Å; R521-S537 WeakPolarHBondContact O-CB 3.37Å
538	R	83.3	Confident	86.4	Confident	104 Å²	104	75.5 Å²	75.5	39%	0.392	37%	0.368	S	S	.	.	S	Bend	trans	-147	139.1	-174.7	-53	-176.1	-177.9	-167.6	-4.2	111.1	M518 F536 W540 L541 L542	M518-R538 HydrophobicContact CE-CG 3.88Å; F536-R538 VanDerWaalsContact C-N 3.32Å; F536-R538 PolarHBondContact O-N 3.26Å; R538-W540 VanDerWaalsContact C-N 3.25Å; R538-W540 HydrophobicContact CB-CG 4.45Å; R538-W540 VanDerWaalsContact CD-NE1 3.33Å; R538-W540 PolarHBondContact O-N 3.28Å; R538-L541 HydrophobicContact CB-CB 4.45Å; R538-L541 HydrophobicContact CB-CD1 4.03Å; R538-L541 HydrophobicContact CB-CG 4.23Å; R538-L541 HydrophobicContact CG-CD1 4.11Å; R538-L541 WeakPolarHBondContact O-CB 3.42Å; R538-L541 PolarHBondContact O-N 3.46Å; R538-L542 PolarHBondContact O-N 3.24Å
539	K	86.8	Confident	86.6	Confident	169 Å²	169	71.3 Å²	71.3	74%	0.735	36%	0.356	S	S	*	.	H	α-helix	trans	-59.7	-30.6	179.2	-170.4	172.6	-177.5	175.6	0	113.6	C527 L542 K543	C527-K539 PolarHBondContact SG-N 3.39Å; K539-L542 PolarHBondContact O-N 2.9Å; K539-K543 PolarHBondContact O-N 3.37Å
540	W	85	Confident	86.4	Confident	160 Å²	160	75.6 Å²	75.6	61%	0.606	38%	0.382	S	S	*	.	H	α-helix	trans	-75.1	-28.7	176.3	70.1	-104.5	0	0	0	113.5	R538 G544	R538-W540 VanDerWaalsContact C-N 3.25Å; R538-W540 HydrophobicContact CB-CG 4.45Å; R538-W540 VanDerWaalsContact CD-NE1 3.33Å; R538-W540 PolarHBondContact O-N 3.28Å; W540-G544 PolarHBondContact O-N 3.31Å
541	L	85.3	Confident	86.3	Confident	61 Å²	61	71.9 Å²	71.9	32%	0.319	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-42.9	171.1	-73.8	168.6	0	0	0	110	F536 R538 G544 H545	F536-L541 HydrophobicContact CB-CB 4.25Å; F536-L541 HydrophobicContact CD1-CB 4.02Å; F536-L541 HydrophobicContact CG-CB 4.46Å; R538-L541 HydrophobicContact CB-CB 4.45Å; R538-L541 HydrophobicContact CB-CD1 4.03Å; R538-L541 HydrophobicContact CB-CG 4.23Å; R538-L541 HydrophobicContact CG-CD1 4.11Å; R538-L541 WeakPolarHBondContact O-CB 3.42Å; R538-L541 PolarHBondContact O-N 3.46Å; L541-G544 PolarHBondContact O-N 3.09Å; L541-H545 WeakPolarHBondContact O-CB 3.49Å; L541-H545 PolarHBondContact O-N 3.18Å
542	L	88.2	Confident	86.3	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-52	171.3	172.2	58.9	0	0	0	111.1	C527 C529 F536 R538 K539 G544 H545 E546	C527-L542 HydrophobicContact CB-CB 4.02Å; C527-L542 HydrophobicContact CB-CD2 3.85Å; C529-L542 HydrophobicContact CB-CD1 3.59Å; F536-L542 HydrophobicContact CB-CB 4.28Å; F536-L542 HydrophobicContact CD2-CB 4.14Å; F536-L542 HydrophobicContact CD2-CD1 3.96Å; F536-L542 HydrophobicContact CE2-CD1 4.21Å; F536-L542 HydrophobicContact CG-CB 4.33Å; R538-L542 PolarHBondContact O-N 3.24Å; K539-L542 PolarHBondContact O-N 2.9Å; L542-G544 VanDerWaalsContact C-N 3.3Å; L542-G544 PolarHBondContact O-N 3.01Å; L542-H545 CarbonylContact O-C 3.6Å; L542-H545 WeakPolarHBondContact O-CA 3.41Å; L542-H545 WeakPolarHBondContact O-CB 3.35Å; L542-H545 PolarHBondContact O-N 3.38Å; L542-E546 HydrophobicContact CD1-CG 3.92Å; L542-E546 WeakPolarHBondContact CD1-OE1 3.36Å; L542-E546 HydrophobicContact CG-CG 4.3Å; L542-E546 WeakPolarHBondContact CG-OE1 3.43Å; L542-E546 WeakPolarHBondContact O-CG 3.38Å; L542-E546 PolarHBondContact O-N 2.6Å
543	K	86.9	Confident	86.3	Confident	121 Å²	121	75 Å²	75	53%	0.526	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-34.7	178.6	-171.6	168.2	-177.1	172.8	0	113.5	K539 H545 E546	K539-K543 PolarHBondContact O-N 3.37Å; K543-H545 VanDerWaalsContact C-N 3.32Å; K543-E546 WeakPolarHBondContact CA-OE2 3.39Å; K543-E546 PolarHBondContact O-N 2.95Å
544	G	86.8	Confident	86.6	Confident	31 Å²	31	76.6 Å²	76.6	32%	0.32	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-34.4	171.9	0	0	0	0	0	113.1	W540 L541 L542	W540-G544 PolarHBondContact O-N 3.31Å; L541-G544 PolarHBondContact O-N 3.09Å; L542-G544 VanDerWaalsContact C-N 3.3Å; L542-G544 PolarHBondContact O-N 3.01Å
545	H	88.6	Confident	86.8	Confident	25 Å²	25	74.4 Å²	74.4	12%	0.116	37%	0.368	C	S	.	.	H	α-helix	trans	-77	-35	173.9	169.1	49.8	0	0	0	113.3	C532 F536 L541 L542 K543 R547 T548 H549	C532-H545 PolarHBondContact SG-NE2 2.91Å; F536-H545 HydrophobicContact CE1-CB 4.01Å; F536-H545 HydrophobicContact CE2-CB 4.15Å; F536-H545 AromaticContact CE2-CD2 3.27Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.31Å; F536-H545 AromaticContact CE2-CG 3.88Å; F536-H545 HydrophobicContact CZ-CB 3.6Å; F536-H545 AromaticContact CZ-CD2 3.26Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.18Å; F536-H545 AromaticContact CZ-CG 3.4Å; L541-H545 WeakPolarHBondContact O-CB 3.49Å; L541-H545 PolarHBondContact O-N 3.18Å; L542-H545 CarbonylContact O-C 3.6Å; L542-H545 WeakPolarHBondContact O-CA 3.41Å; L542-H545 WeakPolarHBondContact O-CB 3.35Å; L542-H545 PolarHBondContact O-N 3.38Å; K543-H545 VanDerWaalsContact C-N 3.32Å; H545-R547 PolarHBondContact O-N 2.93Å; H545-R547 VanDerWaalsContact O-N 3.14Å; H545-T548 PolarHBondContact CE1-OG1 3.45Å; H545-T548 PolarHBondContact ND1-OG1 2.83Å; H545-T548 WeakPolarHBondContact O-CB 3.3Å; H545-T548 PolarHBondContact O-N 3.36Å; H545-T548 PolarHBondContact O-OG1 3.08Å; H545-H549 AromaticContact CD2-NE2 3.49Å; H545-H549 PolarHBondContact CD2-NE2 3.13Å; H545-H549 AromaticContact CE1-CD2 3.93Å; H545-H549 AromaticContact CE1-NE2 2.76Å; H545-H549 PolarHBondContact CE1-NE2 2.94Å; H545-H549 AromaticContact ND1-NE2 3.88Å; H545-H549 AromaticContact NE2-CD2 3.91Å; H545-H549 AromaticContact NE2-NE2 2.4Å; H545-H549 PolarHBondContact NE2-NE2 3.37Å
546	E	88.3	Confident	86.9	Confident	59 Å²	59	75.6 Å²	75.6	28%	0.276	38%	0.377	S	S	.	.	H	α-helix	trans	-57.3	-31	176.7	-74.2	163.9	166.2	0	0	111.6	L542 K543 T548 H549 T550	L542-E546 HydrophobicContact CD1-CG 3.92Å; L542-E546 WeakPolarHBondContact CD1-OE1 3.36Å; L542-E546 HydrophobicContact CG-CG 4.3Å; L542-E546 WeakPolarHBondContact CG-OE1 3.43Å; L542-E546 WeakPolarHBondContact O-CG 3.38Å; L542-E546 PolarHBondContact O-N 2.6Å; K543-E546 WeakPolarHBondContact CA-OE2 3.39Å; K543-E546 PolarHBondContact O-N 2.95Å; E546-T548 PolarHBondContact O-N 2.8Å; E546-H549 WeakPolarHBondContact O-CB 3.44Å; E546-H549 PolarHBondContact O-N 2.8Å; E546-T550 PolarHBondContact O-N 2.97Å; E546-T550 VanDerWaalsContact O-N 3.07Å
547	R	90	Very high	87	Confident	35 Å²	35	73.7 Å²	73.7	13%	0.132	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-21.2	171.1	-62	-171.3	168	137.8	-6.1	115.3	H545 T550 G551 E552 A565	H545-R547 PolarHBondContact O-N 2.93Å; H545-R547 VanDerWaalsContact O-N 3.14Å; R547-T550 WeakPolarHBondContact CA-OG1 3.19Å; R547-G551 WeakPolarHBondContact O-CA 3.31Å; R547-G551 PolarHBondContact O-N 3.15Å; R547-E552 HydrophobicContact CB-CB 4.36Å; R547-E552 HydrophobicContact CG-CB 4.03Å; R547-E552 WeakPolarHBondContact CG-OE2 3.44Å; R547-E552 IonicContact CZ-OE1 3.29Å; R547-E552 IonicContact CZ-OE2 2.84Å; R547-E552 IonicContact NE-OE1 2.63Å; R547-E552 PolarHBondContact NE-OE1 3.43Å; R547-E552 IonicContact NE-OE2 3.21Å; R547-E552 PolarHBondContact NE-OE2 2.73Å; R547-E552 IonicContact NH2-OE1 2.67Å; R547-E552 PolarHBondContact NH2-OE1 3.38Å; R547-E552 IonicContact NH2-OE2 3.04Å; R547-A565 HydrophobicContact CB-CB 4.01Å; R547-A565 WeakPolarHBondContact CD-O 3.44Å; R547-A565 PolarHBondContact NH1-O 3.43Å
548	T	88.5	Confident	87.1	Confident	96 Å²	96	79.7 Å²	79.7	59%	0.589	40%	0.399	S	S	*	.	H	α-helix	trans	-76.7	-14.6	172.3	71.7	0	0	0	0	112.4	H545 E546	H545-T548 PolarHBondContact CE1-OG1 3.45Å; H545-T548 PolarHBondContact ND1-OG1 2.83Å; H545-T548 WeakPolarHBondContact O-CB 3.3Å; H545-T548 PolarHBondContact O-N 3.36Å; H545-T548 PolarHBondContact O-OG1 3.08Å; E546-T548 PolarHBondContact O-N 2.8Å
549	H	88.3	Confident	87.1	Confident	86 Å²	86	78.9 Å²	78.9	40%	0.398	41%	0.406	S	S	.	.	H	α-helix	trans	-94.3	-41.7	171	-62.6	-63.9	0	0	0	112	C529 H531 C532 H545 E546	C529-H549 PolarHBondContact SG-NE2 3.05Å; H531-H549 HydrophobicContact CB-CB 4.42Å; C532-H549 WeakPolarHBondContact CB-CE1 3.07Å; C532-H549 WeakPolarHBondContact CB-NE2 3.35Å; C532-H549 PolarHBondContact SG-CE1 3.38Å; C532-H549 PolarHBondContact SG-NE2 2.81Å; H545-H549 AromaticContact CD2-NE2 3.49Å; H545-H549 PolarHBondContact CD2-NE2 3.13Å; H545-H549 AromaticContact CE1-CD2 3.93Å; H545-H549 AromaticContact CE1-NE2 2.76Å; H545-H549 PolarHBondContact CE1-NE2 2.94Å; H545-H549 AromaticContact ND1-NE2 3.88Å; H545-H549 AromaticContact NE2-CD2 3.91Å; H545-H549 AromaticContact NE2-NE2 2.4Å; H545-H549 PolarHBondContact NE2-NE2 3.37Å; E546-H549 WeakPolarHBondContact O-CB 3.44Å; E546-H549 PolarHBondContact O-N 2.8Å
550	T	85.9	Confident	87	Confident	94 Å²	94	73.5 Å²	73.5	58%	0.577	39%	0.389	S	S	*	.	H	α-helix	trans	-81.7	-13.9	179.6	63.9	0	0	0	0	114.2	E546 R547 E552	E546-T550 PolarHBondContact O-N 2.97Å; E546-T550 VanDerWaalsContact O-N 3.07Å; R547-T550 WeakPolarHBondContact CA-OG1 3.19Å; T550-E552 PolarHBondContact O-N 3.15Å; T550-E552 WeakPolarHBondContact OG1-CB 3.41Å; T550-E552 PolarHBondContact OG1-N 2.71Å
551	G	84.2	Confident	87	Confident	40 Å²	40	70.8 Å²	70.8	41%	0.412	39%	0.394	S	S	.	.			trans	72.8	1.2	-173.4	0	0	0	0	0	115	R547 R553	R547-G551 WeakPolarHBondContact O-CA 3.31Å; R547-G551 PolarHBondContact O-N 3.15Å; G551-R553 PolarHBondContact O-N 3.42Å
552	E	83.1	Confident	86.9	Confident	77 Å²	77	73.6 Å²	73.6	36%	0.36	40%	0.4	S	S	.	.			trans	-56	120.3	-174.7	-169.2	-146.7	144	0	0	111.7	R547 T550 P554	R547-E552 HydrophobicContact CB-CB 4.36Å; R547-E552 HydrophobicContact CG-CB 4.03Å; R547-E552 WeakPolarHBondContact CG-OE2 3.44Å; R547-E552 IonicContact CZ-OE1 3.29Å; R547-E552 IonicContact CZ-OE2 2.84Å; R547-E552 IonicContact NE-OE1 2.63Å; R547-E552 PolarHBondContact NE-OE1 3.43Å; R547-E552 IonicContact NE-OE2 3.21Å; R547-E552 PolarHBondContact NE-OE2 2.73Å; R547-E552 IonicContact NH2-OE1 2.67Å; R547-E552 PolarHBondContact NH2-OE1 3.38Å; R547-E552 IonicContact NH2-OE2 3.04Å; T550-E552 PolarHBondContact O-N 3.15Å; T550-E552 WeakPolarHBondContact OG1-CB 3.41Å; T550-E552 PolarHBondContact OG1-N 2.71Å; E552-P554 WeakPolarHBondContact O-CD 3.2Å; E552-P554 VanDerWaalsContact OE1-CG 3.3Å; E552-P554 WeakPolarHBondContact OE1-CG 3.42Å
553	R	87.7	Confident	86.9	Confident	143 Å²	143	74.8 Å²	74.8	54%	0.54	41%	0.41	S	S	.	.			trans	-122.9	73.8	-179.9	-78	171	152.6	90.4	-4.7	110.6	G551 Y555 S563 F564	G551-R553 PolarHBondContact O-N 3.42Å; R553-Y555 VanDerWaalsContact C-N 3.27Å; R553-Y555 PolarHBondContact O-N 3.38Å; R553-S563 WeakPolarHBondContact CD-O 3.36Å; R553-S563 PolarHBondContact NE-O 3.26Å; R553-S563 WeakPolarHBondContact O-CB 3.46Å; R553-F564 CarbonylContact C-O 3.55Å; R553-F564 WeakPolarHBondContact CA-O 3.37Å
554	P	87.3	Confident	86.9	Confident	60 Å²	60	70.3 Å²	70.3	39%	0.39	39%	0.391	S	S	.	.			trans	-77	-7.6	-172.5	34.1	-38.6	0	0	0	114.1	E552 F564	E552-P554 WeakPolarHBondContact O-CD 3.2Å; E552-P554 VanDerWaalsContact OE1-CG 3.3Å; E552-P554 WeakPolarHBondContact OE1-CG 3.42Å; P554-F564 WeakPolarHBondContact CD-O 3.16Å
555	Y	89.9	Confident	86.9	Confident	72 Å²	72	70.1 Å²	70.1	28%	0.282	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	89.8	-177.1	-56	-67.3	0	0	0	110.9	R553 S563 F564 R567	R553-Y555 VanDerWaalsContact C-N 3.27Å; R553-Y555 PolarHBondContact O-N 3.38Å; Y555-S563 CarbonylContact O-C 3.27Å; Y555-S563 WeakPolarHBondContact O-CA 3.44Å; Y555-F564 WeakPolarHBondContact CB-O 3.27Å; Y555-F564 PolarHBondContact N-O 2.89Å; Y555-F564 VanDerWaalsContact N-O 3.11Å; Y555-F564 PolarHBondContact O-N 3.24Å; Y555-R567 HydrophobicContact CD1-CB 4.23Å; Y555-R567 HydrophobicContact CD1-CG 4.47Å; Y555-R567 HydrophobicContact CD2-CB 4.42Å; Y555-R567 HydrophobicContact CE1-CB 4.06Å; Y555-R567 HydrophobicContact CE1-CG 4.45Å; Y555-R567 HydrophobicContact CE2-CB 4.24Å; Y555-R567 HydrophobicContact CG-CB 4.4Å
556	S	87.9	Confident	86.8	Confident	78 Å²	78	71.6 Å²	71.6	55%	0.545	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145.6	175.9	51	0	0	0	0	112.9	S563 L570	S556-S563 WeakPolarHBondContact CB-OG 3.49Å; S556-L570 WeakPolarHBondContact O-CD2 3.25Å
557	C	90.2	Very high	86.8	Confident	3 Å²	3	77.2 Å²	77.2	2%	0.02	41%	0.414	C	S	.	.			trans	-82.3	129.1	165.9	179	0	0	0	0	110.3	V559 S561 R562 F564 L570 H573 M574 H577	C557-V559 VanDerWaalsContact C-N 3.28Å; C557-V559 PolarHBondContact O-N 2.94Å; C557-V559 PolarHBondContact SG-N 2.73Å; C557-V559 VanDerWaalsContact SG-N 3.37Å; C557-S561 WeakPolarHBondContact O-CA 3.44Å; C557-S561 PolarHBondContact O-N 2.86Å; C557-R562 VanDerWaalsContact CB-O 3.29Å; C557-R562 WeakPolarHBondContact CB-O 3.42Å; C557-R562 PolarHBondContact N-O 3.49Å; C557-F564 HydrophobicContact CB-CE2 4.5Å; C557-L570 HydrophobicContact CB-CD1 3.96Å; C557-H573 PolarHBondContact SG-NE2 2.94Å; C557-M574 HydrophobicContact CB-SD 4.47Å; C557-H577 PolarHBondContact SG-NE2 3.11Å
558	N	87.4	Confident	86.6	Confident	142 Å²	142	79.2 Å²	79.2	76%	0.759	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.3	177.6	66	-42	0	0	0	114.5	M574	N558-M574 VanDerWaalsContact OD1-CE 3.27Å; N558-M574 WeakPolarHBondContact OD1-CE 3.42Å
559	V	83	Confident	86.6	Confident	88 Å²	88	79.1 Å²	79.1	53%	0.533	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-30.2	-178.4	-178.9	0	0	0	0	112.6	C557 M574 H577	C557-V559 VanDerWaalsContact C-N 3.28Å; C557-V559 PolarHBondContact O-N 2.94Å; C557-V559 PolarHBondContact SG-N 2.73Å; C557-V559 VanDerWaalsContact SG-N 3.37Å; V559-M574 HydrophobicContact CG2-CE 4Å; V559-H577 HydrophobicContact CG1-CB 4.32Å
560	C	85.4	Confident	86.6	Confident	55 Å²	55	76.4 Å²	76.4	37%	0.372	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	19	179.9	69.2	0	0	0	0	114.6	R562 H573 H577	C560-R562 PolarHBondContact O-N 3.09Å; C560-H573 PolarHBondContact SG-NE2 3.45Å; C560-H577 WeakPolarHBondContact CB-CE1 3.46Å; C560-H577 PolarHBondContact SG-CE1 3.49Å; C560-H577 PolarHBondContact SG-NE2 3.1Å
561	S	83.3	Confident	86.6	Confident	103 Å²	103	81 Å²	81	72%	0.72	42%	0.424	S	S	*	.			trans	57.4	3.7	177.5	-54	0	0	0	0	116.4	C557	C557-S561 WeakPolarHBondContact O-CA 3.44Å; C557-S561 PolarHBondContact O-N 2.86Å
562	R	84.7	Confident	86.6	Confident	120 Å²	120	81.4 Å²	81.4	45%	0.453	42%	0.424	S	S	.	.			trans	-73.9	128.8	-177	-164.7	174	-165.9	178.3	5.1	110.8	C557 C560 F564	C557-R562 VanDerWaalsContact CB-O 3.29Å; C557-R562 WeakPolarHBondContact CB-O 3.42Å; C557-R562 PolarHBondContact N-O 3.49Å; C560-R562 PolarHBondContact O-N 3.09Å; R562-F564 HydrophobicContact CB-CE2 4.25Å; R562-F564 HydrophobicContact CB-CZ 4.48Å; R562-F564 HydrophobicContact CG-CE2 4.24Å; R562-F564 HydrophobicContact CG-CZ 4.1Å; R562-F564 WeakPolarHBondContact O-CD2 3.43Å; R562-F564 WeakPolarHBondContact O-CE2 3.44Å
563	S	87.8	Confident	86.8	Confident	42 Å²	42	78.6 Å²	78.6	29%	0.294	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.2	-173	-55.9	0	0	0	0	114.3	R553 Y555 S556	R553-S563 WeakPolarHBondContact CD-O 3.36Å; R553-S563 PolarHBondContact NE-O 3.26Å; R553-S563 WeakPolarHBondContact O-CB 3.46Å; Y555-S563 CarbonylContact O-C 3.27Å; Y555-S563 WeakPolarHBondContact O-CA 3.44Å; S556-S563 WeakPolarHBondContact CB-OG 3.49Å
564	F	87.4	Confident	86.5	Confident	27 Å²	27	74 Å²	74	12%	0.118	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.7	-171.4	-60.3	-91.4	0	0	0	111.8	R553 P554 Y555 C557 R562 N569 L570 H573	R553-F564 CarbonylContact C-O 3.55Å; R553-F564 WeakPolarHBondContact CA-O 3.37Å; P554-F564 WeakPolarHBondContact CD-O 3.16Å; Y555-F564 WeakPolarHBondContact CB-O 3.27Å; Y555-F564 PolarHBondContact N-O 2.89Å; Y555-F564 VanDerWaalsContact N-O 3.11Å; Y555-F564 PolarHBondContact O-N 3.24Å; C557-F564 HydrophobicContact CB-CE2 4.5Å; R562-F564 HydrophobicContact CB-CE2 4.25Å; R562-F564 HydrophobicContact CB-CZ 4.48Å; R562-F564 HydrophobicContact CG-CE2 4.24Å; R562-F564 HydrophobicContact CG-CZ 4.1Å; R562-F564 WeakPolarHBondContact O-CD2 3.43Å; R562-F564 WeakPolarHBondContact O-CE2 3.44Å; F564-N569 HydrophobicContact CB-CB 4.42Å; F564-N569 HydrophobicContact CD1-CB 4.03Å; F564-L570 HydrophobicContact CB-CB 4.42Å; F564-L570 HydrophobicContact CD2-CB 4.16Å; F564-L570 HydrophobicContact CD2-CD1 3.97Å; F564-L570 HydrophobicContact CE2-CD1 4.19Å; F564-L570 HydrophobicContact CG-CB 4.44Å; F564-H573 HydrophobicContact CE1-CB 4.07Å; F564-H573 HydrophobicContact CE2-CB 3.97Å; F564-H573 AromaticContact CE2-CD2 3.28Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.18Å; F564-H573 AromaticContact CE2-CG 3.69Å; F564-H573 HydrophobicContact CZ-CB 3.54Å; F564-H573 AromaticContact CZ-CD2 3.4Å; F564-H573 VanDerWaalsContact CZ-CD2 3.4Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.47Å; F564-H573 AromaticContact CZ-CG 3.33Å; F564-H573 AromaticContact CZ-ND1 3.97Å
565	A	86.4	Confident	86.2	Confident	27 Å²	27	75.7 Å²	75.7	22%	0.223	40%	0.398	C	S	.	.	S	Bend	trans	-77.6	-20.1	178	0	0	0	0	0	113.7	R547	R547-A565 HydrophobicContact CB-CB 4.01Å; R547-A565 WeakPolarHBondContact CD-O 3.44Å; R547-A565 PolarHBondContact NH1-O 3.43Å
566	D	86.6	Confident	85.6	Confident	56 Å²	56	73.6 Å²	73.6	30%	0.299	39%	0.393	S	S	.	.	S	Bend	trans	-135.2	148.8	176.9	-177.7	47.1	0	0	0	113.3	S568 N569 L570	D566-S568 VanDerWaalsContact C-N 3.34Å; D566-S568 WeakPolarHBondContact OD2-CA 3.43Å; D566-S568 WeakPolarHBondContact OD2-CB 3.29Å; D566-S568 PolarHBondContact OD2-N 2.95Å; D566-S568 PolarHBondContact OD2-OG 3.24Å; D566-N569 PolarHBondContact O-N 2.9Å; D566-L570 PolarHBondContact O-N 3.04Å
567	R	88.2	Confident	85.1	Confident	177 Å²	177	73.6 Å²	73.6	67%	0.668	39%	0.385	S	S	*	.	H	α-helix	trans	-71.1	-26.6	-178.5	-166.4	174.6	-174.5	173.9	2.7	112.6	Y555 R571	Y555-R567 HydrophobicContact CD1-CB 4.23Å; Y555-R567 HydrophobicContact CD1-CG 4.47Å; Y555-R567 HydrophobicContact CD2-CB 4.42Å; Y555-R567 HydrophobicContact CE1-CB 4.06Å; Y555-R567 HydrophobicContact CE1-CG 4.45Å; Y555-R567 HydrophobicContact CE2-CB 4.24Å; Y555-R567 HydrophobicContact CG-CB 4.4Å; R567-R571 PolarHBondContact O-N 3.42Å
568	S	86.3	Confident	83.9	Confident	77 Å²	77	80.9 Å²	80.9	54%	0.538	42%	0.418	S	S	.	.	H	α-helix	trans	-66.4	-41.9	174.1	-38	0	0	0	0	110.6	D566 R571 A572	D566-S568 VanDerWaalsContact C-N 3.34Å; D566-S568 WeakPolarHBondContact OD2-CA 3.43Å; D566-S568 WeakPolarHBondContact OD2-CB 3.29Å; D566-S568 PolarHBondContact OD2-N 2.95Å; D566-S568 PolarHBondContact OD2-OG 3.24Å; S568-R571 PolarHBondContact O-N 2.86Å; S568-A572 PolarHBondContact O-N 2.9Å
569	N	87.1	Confident	82.4	Confident	95 Å²	95	78.7 Å²	78.7	51%	0.508	40%	0.399	S	S	.	.	H	α-helix	trans	-67.7	-40.6	177	-67.9	-4.5	0	0	0	111.4	F564 D566 R571 A572 H573	F564-N569 HydrophobicContact CB-CB 4.42Å; F564-N569 HydrophobicContact CD1-CB 4.03Å; D566-N569 PolarHBondContact O-N 2.9Å; N569-R571 PolarHBondContact O-N 3.43Å; N569-A572 PolarHBondContact O-N 3.27Å; N569-H573 WeakPolarHBondContact O-CB 3.34Å; N569-H573 PolarHBondContact O-N 3.32Å
570	L	88.5	Confident	81	Confident	29 Å²	29	81 Å²	81	15%	0.152	41%	0.405	C	S	.	.	H	α-helix	trans	-59	-45.4	170	175.7	60.1	0	0	0	111.4	S556 C557 F564 D566 A572 H573 M574	S556-L570 WeakPolarHBondContact O-CD2 3.25Å; C557-L570 HydrophobicContact CB-CD1 3.96Å; F564-L570 HydrophobicContact CB-CB 4.42Å; F564-L570 HydrophobicContact CD2-CB 4.16Å; F564-L570 HydrophobicContact CD2-CD1 3.97Å; F564-L570 HydrophobicContact CE2-CD1 4.19Å; F564-L570 HydrophobicContact CG-CB 4.44Å; D566-L570 PolarHBondContact O-N 3.04Å; L570-A572 PolarHBondContact O-N 3.46Å; L570-H573 CarbonylContact O-C 3.33Å; L570-H573 WeakPolarHBondContact O-CB 3.48Å; L570-H573 PolarHBondContact O-N 3.07Å; L570-H573 VanDerWaalsContact O-N 3.16Å; L570-M574 HydrophobicContact CD1-CG 4.12Å; L570-M574 HydrophobicContact CD1-SD 4.12Å; L570-M574 HydrophobicContact CG-CG 4.4Å; L570-M574 WeakPolarHBondContact O-CG 3.42Å; L570-M574 PolarHBondContact O-N 3.16Å
571	R	86.9	Confident	79.8	Confident	189 Å²	189	85.5 Å²	85.5	71%	0.713	42%	0.418	S	S	*	.	H	α-helix	trans	-60.4	-44.5	177.3	-179.7	-177.5	-77.8	171	-6.9	112.2	R567 S568 N569 H573 M574 Q575	R567-R571 PolarHBondContact O-N 3.42Å; S568-R571 PolarHBondContact O-N 2.86Å; N569-R571 PolarHBondContact O-N 3.43Å; R571-H573 VanDerWaalsContact C-N 3.27Å; R571-H573 PolarHBondContact O-N 3.27Å; R571-M574 PolarHBondContact O-N 3.15Å; R571-Q575 PolarHBondContact O-N 2.7Å
572	A	82.8	Confident	79	Confident	50 Å²	50	89.4 Å²	89.4	41%	0.413	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-31.5	176.1	0	0	0	0	0	112.5	S568 N569 L570	S568-A572 PolarHBondContact O-N 2.9Å; N569-A572 PolarHBondContact O-N 3.27Å; L570-A572 PolarHBondContact O-N 3.46Å
573	H	87.4	Confident	78.4	Confident	18 Å²	18	86.6 Å²	86.6	8%	0.083	41%	0.407	C	S	.	.	H	α-helix	trans	-74.5	-37.1	172.3	173.8	57.4	0	0	0	113.2	C557 C560 F564 N569 L570 R571 Q575 T576 H577	C557-H573 PolarHBondContact SG-NE2 2.94Å; C560-H573 PolarHBondContact SG-NE2 3.45Å; F564-H573 HydrophobicContact CE1-CB 4.07Å; F564-H573 HydrophobicContact CE2-CB 3.97Å; F564-H573 AromaticContact CE2-CD2 3.28Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.18Å; F564-H573 AromaticContact CE2-CG 3.69Å; F564-H573 HydrophobicContact CZ-CB 3.54Å; F564-H573 AromaticContact CZ-CD2 3.4Å; F564-H573 VanDerWaalsContact CZ-CD2 3.4Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.47Å; F564-H573 AromaticContact CZ-CG 3.33Å; F564-H573 AromaticContact CZ-ND1 3.97Å; N569-H573 WeakPolarHBondContact O-CB 3.34Å; N569-H573 PolarHBondContact O-N 3.32Å; L570-H573 CarbonylContact O-C 3.33Å; L570-H573 WeakPolarHBondContact O-CB 3.48Å; L570-H573 PolarHBondContact O-N 3.07Å; L570-H573 VanDerWaalsContact O-N 3.16Å; R571-H573 VanDerWaalsContact C-N 3.27Å; R571-H573 PolarHBondContact O-N 3.27Å; H573-Q575 PolarHBondContact O-N 3.13Å; H573-T576 PolarHBondContact ND1-OG1 2.89Å; H573-T576 WeakPolarHBondContact O-CB 3.28Å; H573-T576 PolarHBondContact O-N 3.38Å; H573-T576 PolarHBondContact O-OG1 3.1Å; H573-H577 AromaticContact CD2-NE2 3.18Å; H573-H577 PolarHBondContact CD2-NE2 3.33Å; H573-H577 AromaticContact CE1-NE2 2.78Å; H573-H577 PolarHBondContact CE1-NE2 2.92Å; H573-H577 AromaticContact ND1-NE2 3.82Å; H573-H577 AromaticContact NE2-CD2 3.87Å; H573-H577 AromaticContact NE2-NE2 2.22Å; H573-H577 PolarHBondContact NE2-NE2 3.01Å
574	M	81.7	Confident	78	Confident	47 Å²	47	88 Å²	88	23%	0.232	42%	0.416	C	S	.	.	H	α-helix	trans	-60	-30	175.2	-68.7	-52.8	-65.4	0	0	112.1	C557 N558 V559 L570 R571 T576 H577 Q578	C557-M574 HydrophobicContact CB-SD 4.47Å; N558-M574 VanDerWaalsContact OD1-CE 3.27Å; N558-M574 WeakPolarHBondContact OD1-CE 3.42Å; V559-M574 HydrophobicContact CG2-CE 4Å; L570-M574 HydrophobicContact CD1-CG 4.12Å; L570-M574 HydrophobicContact CD1-SD 4.12Å; L570-M574 HydrophobicContact CG-CG 4.4Å; L570-M574 WeakPolarHBondContact O-CG 3.42Å; L570-M574 PolarHBondContact O-N 3.16Å; R571-M574 PolarHBondContact O-N 3.15Å; M574-T576 PolarHBondContact O-N 2.73Å; M574-H577 PolarHBondContact O-N 3.08Å; M574-Q578 PolarHBondContact O-N 3.06Å
575	Q	80.8	Confident	77.9	Confident	94 Å²	94	87.2 Å²	87.2	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-21.6	170.1	-63.8	-176.3	0.5	0	0	113.8	R571 H573 H577 R579	R571-Q575 PolarHBondContact O-N 2.7Å; H573-Q575 PolarHBondContact O-N 3.13Å; Q575-H577 VanDerWaalsContact C-N 3.35Å; Q575-R579 WeakPolarHBondContact O-CD 3.37Å; Q575-R579 WeakPolarHBondContact O-CG 3.35Å; Q575-R579 PolarHBondContact O-N 2.68Å; Q575-R579 PolarHBondContact O-NE 3.47Å
576	T	78.3	Confident	77.7	Confident	29 Å²	29	90.8 Å²	90.8	18%	0.178	44%	0.435	C	S	.	.	H	α-helix	trans	-74.6	-25.7	174.5	65.4	0	0	0	0	113	H573 M574	H573-T576 PolarHBondContact ND1-OG1 2.89Å; H573-T576 WeakPolarHBondContact O-CB 3.28Å; H573-T576 PolarHBondContact O-N 3.38Å; H573-T576 PolarHBondContact O-OG1 3.1Å; M574-T576 PolarHBondContact O-N 2.73Å
577	H	77.5	Confident	77.4	Confident	78 Å²	78	92.4 Å²	92.4	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-80	-36.2	173.8	-62.4	-57.8	0	0	0	112.1	C557 V559 C560 H573 M574 Q575 R579	C557-H577 PolarHBondContact SG-NE2 3.11Å; V559-H577 HydrophobicContact CG1-CB 4.32Å; C560-H577 WeakPolarHBondContact CB-CE1 3.46Å; C560-H577 PolarHBondContact SG-CE1 3.49Å; C560-H577 PolarHBondContact SG-NE2 3.1Å; H573-H577 AromaticContact CD2-NE2 3.18Å; H573-H577 PolarHBondContact CD2-NE2 3.33Å; H573-H577 AromaticContact CE1-NE2 2.78Å; H573-H577 PolarHBondContact CE1-NE2 2.92Å; H573-H577 AromaticContact ND1-NE2 3.82Å; H573-H577 AromaticContact NE2-CD2 3.87Å; H573-H577 AromaticContact NE2-NE2 2.22Å; H573-H577 PolarHBondContact NE2-NE2 3.01Å; M574-H577 PolarHBondContact O-N 3.08Å; Q575-H577 VanDerWaalsContact C-N 3.35Å; H577-R579 VanDerWaalsContact C-N 3.27Å; H577-R579 PolarHBondContact O-N 3.02Å
578	Q	64.4	Low	77.3	Confident	155 Å²	155	85.7 Å²	85.7	72%	0.724	42%	0.42	S	S	*	.	H	α-helix	trans	-75.9	-11.1	175.8	-67.8	177.9	-24.3	0	0	113.9	M574 E580	M574-Q578 PolarHBondContact O-N 3.06Å; Q578-E580 PolarHBondContact O-N 3.21Å
579	R	56.1	Low	76.9	Confident	96 Å²	96	88.4 Å²	88.4	36%	0.362	44%	0.436	S	S	.	.			trans	-83.7	97.6	174.8	-77.9	157.2	-175.2	-94.9	-1.3	109.9	Q575 H577 S593	Q575-R579 WeakPolarHBondContact O-CD 3.37Å; Q575-R579 WeakPolarHBondContact O-CG 3.35Å; Q575-R579 PolarHBondContact O-N 2.68Å; Q575-R579 PolarHBondContact O-NE 3.47Å; H577-R579 VanDerWaalsContact C-N 3.27Å; H577-R579 PolarHBondContact O-N 3.02Å; R579-S593 VanDerWaalsContact CB-CB 3.48Å; R579-S593 WeakPolarHBondContact CD-O 3.49Å; R579-S593 PolarHBondContact NH1-O 3.18Å
580	E	53.1	Low	76.3	Confident	138 Å²	138	88.9 Å²	88.9	65%	0.645	43%	0.431	S	S	*	.			trans	-42.5	149.2	151	-63.8	173.9	117.6	0	0	110.6	Q578 R582	Q578-E580 PolarHBondContact O-N 3.21Å; E580-R582 HydrophobicContact CB-CG 4.45Å; E580-R582 PolarHBondContact O-N 3.31Å; E580-R582 IonicContact OE2-NH2 3.33Å
581	K	60.5	Low	75.9	Confident	148 Å²	148	88.9 Å²	88.9	64%	0.643	43%	0.433	S	S	*	.			trans	-78.3	61.7	-173.5	-69.3	171.9	162.5	178.5	0	112.2	Y583 S591 F592	K581-Y583 PolarHBondContact O-N 2.63Å; K581-Y583 VanDerWaalsContact O-N 3.11Å; K581-S591 WeakPolarHBondContact CD-O 3.19Å; K581-S591 WeakPolarHBondContact CE-O 3.24Å; K581-S591 WeakPolarHBondContact CG-O 3.41Å; K581-S591 WeakPolarHBondContact O-CB 3.49Å; K581-F592 CarbonylContact C-O 3.5Å; K581-F592 VanDerWaalsContact C-O 3.27Å; K581-F592 WeakPolarHBondContact CA-O 3.43Å
582	R	67.4	Low	75.4	Confident	185 Å²	185	80.8 Å²	80.8	70%	0.698	40%	0.403	S	S	*	.			trans	-59.9	-20.4	-174.3	-65	179.8	-175.7	-176.3	-0.3	114.9	E580 F592	E580-R582 HydrophobicContact CB-CG 4.45Å; E580-R582 PolarHBondContact O-N 3.31Å; E580-R582 IonicContact OE2-NH2 3.33Å; R582-F592 PolarHBondContact N-O 2.81Å
583	Y	71.4	Confident	75	Confident	62 Å²	62	79.6 Å²	79.6	24%	0.243	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	84.4	-176.8	-55.1	-73.3	0	0	0	110.4	K581 S591 F592 R594 M595	K581-Y583 PolarHBondContact O-N 2.63Å; K581-Y583 VanDerWaalsContact O-N 3.11Å; Y583-S591 WeakPolarHBondContact O-CA 3.37Å; Y583-F592 PolarHBondContact N-O 3.01Å; Y583-F592 WeakPolarHBondContact O-CD2 3.13Å; Y583-F592 PolarHBondContact O-N 2.83Å; Y583-R594 VanDerWaalsContact CD2-C 3.49Å; Y583-M595 HydrophobicContact CD1-CB 4.44Å; Y583-M595 HydrophobicContact CD1-CE 3.67Å; Y583-M595 HydrophobicContact CD1-SD 3.81Å; Y583-M595 HydrophobicContact CE1-CB 4.31Å; Y583-M595 HydrophobicContact CE1-CE 3.62Å; Y583-M595 HydrophobicContact CE1-SD 4.22Å; Y583-M595 HydrophobicContact CG-SD 4.47Å
584	S	79	Confident	74.3	Confident	72 Å²	72	82.6 Å²	82.6	50%	0.503	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	143.9	173.2	-64.6	0	0	0	0	111.9	S591	S584-S591 WeakPolarHBondContact CA-OG 3.48Å; S584-S591 WeakPolarHBondContact CB-OG 3.08Å; S584-S591 WeakPolarHBondContact OG-CB 3.44Å; S584-S591 PolarHBondContact OG-OG 3.27Å
585	C	85.9	Confident	74.1	Confident	10 Å²	10	84.9 Å²	84.9	7%	0.068	41%	0.413	C	S	.	.			trans	-75.2	132.3	166.8	-176.8	0	0	0	0	110.2	H587 C588 R590 F592 L598	C585-H587 PolarHBondContact O-N 2.94Å; C585-H587 PolarHBondContact SG-N 2.8Å; C585-C588 WeakPolarHBondContact CB-O 3.18Å; C585-R590 WeakPolarHBondContact CB-O 3.32Å; C585-R590 PolarHBondContact N-O 2.92Å; C585-F592 HydrophobicContact CB-CE2 4.5Å; C585-L598 HydrophobicContact CB-CD1 3.93Å
586	P	81.5	Confident	74.2	Confident	102 Å²	102	82.4 Å²	82.4	66%	0.662	41%	0.414	S	S	*	.	S	Bend	trans	-70.2	-13.4	172.8	29.3	-36.2	0	0	0	113.5	M602	P586-M602 HydrophobicContact CG-CE 3.91Å; P586-M602 HydrophobicContact CG-SD 4.06Å
587	H	80.4	Confident	74.3	Confident	90 Å²	90	81.7 Å²	81.7	42%	0.417	41%	0.409	S	S	.	.	S	Bend	trans	-106.8	-12.1	-174.3	-59.4	-48.5	0	0	0	114.5	C585 M602 T609	C585-H587 PolarHBondContact O-N 2.94Å; C585-H587 PolarHBondContact SG-N 2.8Å; H587-M602 VanDerWaalsContact CD2-CE 3.49Å; H587-M602 WeakPolarHBondContact CD2-CE 3.5Å; H587-T609 HydrophobicContact CB-CG2 3.85Å
588	C	86.7	Confident	74.6	Confident	35 Å²	35	78.9 Å²	78.9	24%	0.236	40%	0.396	C	S	.	.	S	Bend	trans	-157.3	160	174.1	81.1	0	0	0	0	111.4	C585 R590 H601	C585-C588 WeakPolarHBondContact CB-O 3.18Å; C588-R590 PolarHBondContact O-N 3.21Å; C588-H601 PolarHBondContact SG-NE2 2.84Å
589	P	78.4	Confident	75.5	Confident	135 Å²	135	75.7 Å²	75.7	88%	0.877	38%	0.384	S	S	*	.	S	Bend	trans	-73	23.2	-177.4	31.7	-37.5	0	0	0	114.5
590	R	74.3	Confident	76.8	Confident	105 Å²	105	76 Å²	76	40%	0.396	39%	0.388	S	S	.	.			trans	-89.7	125.3	173.6	-67.8	179.9	161.8	-166.7	-9.7	109.6	S145 N146 C585 C588 F592	S145-R590 PolarHBondContact O-NH2 3.5Å; N146-R590 PolarHBondContact ND2-NH2 2.82Å; N146-R590 PolarHBondContact OD1-NH2 2.89Å; C585-R590 WeakPolarHBondContact CB-O 3.32Å; C585-R590 PolarHBondContact N-O 2.92Å; C588-R590 PolarHBondContact O-N 3.21Å; R590-F592 HydrophobicContact CB-CE2 3.85Å; R590-F592 HydrophobicContact CB-CZ 3.76Å; R590-F592 VanDerWaalsContact O-CE2 3.31Å; R590-F592 WeakPolarHBondContact O-CE2 3.27Å
591	S	79.5	Confident	78.3	Confident	29 Å²	29	70.2 Å²	70.2	20%	0.203	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.2	178.3	-47.2	0	0	0	0	111.5	K581 Y583 S584	K581-S591 WeakPolarHBondContact CD-O 3.19Å; K581-S591 WeakPolarHBondContact CE-O 3.24Å; K581-S591 WeakPolarHBondContact CG-O 3.41Å; K581-S591 WeakPolarHBondContact O-CB 3.49Å; Y583-S591 WeakPolarHBondContact O-CA 3.37Å; S584-S591 WeakPolarHBondContact CA-OG 3.48Å; S584-S591 WeakPolarHBondContact CB-OG 3.08Å; S584-S591 WeakPolarHBondContact OG-CB 3.44Å; S584-S591 PolarHBondContact OG-OG 3.27Å
592	F	77.2	Confident	79.3	Confident	19 Å²	19	65.4 Å²	65.4	8%	0.083	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.3	-164.1	-57	-88	0	0	0	112.8	K581 R582 Y583 C585 R590 L597 L598 H601	K581-F592 CarbonylContact C-O 3.5Å; K581-F592 VanDerWaalsContact C-O 3.27Å; K581-F592 WeakPolarHBondContact CA-O 3.43Å; R582-F592 PolarHBondContact N-O 2.81Å; Y583-F592 PolarHBondContact N-O 3.01Å; Y583-F592 WeakPolarHBondContact O-CD2 3.13Å; Y583-F592 PolarHBondContact O-N 2.83Å; C585-F592 HydrophobicContact CB-CE2 4.5Å; R590-F592 HydrophobicContact CB-CE2 3.85Å; R590-F592 HydrophobicContact CB-CZ 3.76Å; R590-F592 VanDerWaalsContact O-CE2 3.31Å; R590-F592 WeakPolarHBondContact O-CE2 3.27Å; F592-L597 HydrophobicContact CB-CB 3.82Å; F592-L597 HydrophobicContact CD1-CB 3.87Å; F592-L597 HydrophobicContact CG-CB 4.09Å; F592-L598 HydrophobicContact CD2-CB 4.22Å; F592-L598 HydrophobicContact CD2-CD1 4.11Å; F592-L598 HydrophobicContact CE2-CD1 4.32Å; F592-H601 HydrophobicContact CE1-CB 4.23Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.19Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.29Å; F592-H601 AromaticContact CE2-CG 3.72Å; F592-H601 AromaticContact CE2-NE2 3.92Å; F592-H601 HydrophobicContact CZ-CB 3.69Å; F592-H601 AromaticContact CZ-CD2 3.33Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.24Å; F592-H601 AromaticContact CZ-CG 3.38Å; F592-H601 AromaticContact CZ-NE2 3.95Å
593	S	73.5	Confident	80.1	Confident	24 Å²	24	61.6 Å²	61.6	17%	0.168	33%	0.333	C	S	.	.	S	Bend	trans	-91.3	-8.9	-175.2	51.3	0	0	0	0	114.8	R579 L597	R579-S593 VanDerWaalsContact CB-CB 3.48Å; R579-S593 WeakPolarHBondContact CD-O 3.49Å; R579-S593 PolarHBondContact NH1-O 3.18Å; S593-L597 WeakPolarHBondContact OG-CD1 3.29Å
594	R	71.9	Confident	80.4	Confident	82 Å²	82	64.2 Å²	64.2	31%	0.309	35%	0.348	S	S	.	.	S	Bend	trans	-143.8	142.1	178.7	-55.5	-178.2	-177.8	162	5.5	109.8	D141 Y583 G596 L597 L598	D141-R594 IonicContact OD2-CZ 3.61Å; D141-R594 VanDerWaalsContact OD2-CZ 3.29Å; D141-R594 IonicContact OD2-NH1 2.56Å; D141-R594 PolarHBondContact OD2-NH1 3.49Å; D141-R594 IonicContact OD2-NH2 3.88Å; D141-R594 PolarHBondContact OD2-NH2 2.88Å; Y583-R594 VanDerWaalsContact CD2-C 3.49Å; R594-G596 VanDerWaalsContact C-N 3.28Å; R594-G596 PolarHBondContact O-N 3.35Å; R594-L597 HydrophobicContact CB-CD1 3.9Å; R594-L597 HydrophobicContact CB-CG 4.22Å; R594-L597 HydrophobicContact CG-CD1 4.05Å; R594-L597 WeakPolarHBondContact O-CB 3.49Å; R594-L597 PolarHBondContact O-N 2.97Å; R594-L598 PolarHBondContact O-N 2.91Å
595	M	78.1	Confident	80.3	Confident	94 Å²	94	61.2 Å²	61.2	46%	0.463	33%	0.327	S	S	.	.	H	α-helix	trans	-56.7	-39.9	178.2	-171	64.6	89.8	0	0	112.6	Y583 L597 L598 N599	Y583-M595 HydrophobicContact CD1-CB 4.44Å; Y583-M595 HydrophobicContact CD1-CE 3.67Å; Y583-M595 HydrophobicContact CD1-SD 3.81Å; Y583-M595 HydrophobicContact CE1-CB 4.31Å; Y583-M595 HydrophobicContact CE1-CE 3.62Å; Y583-M595 HydrophobicContact CE1-SD 4.22Å; Y583-M595 HydrophobicContact CG-SD 4.47Å; M595-L597 PolarHBondContact O-N 3.47Å; M595-L598 WeakPolarHBondContact O-CA 3.36Å; M595-L598 WeakPolarHBondContact O-CB 3.18Å; M595-L598 PolarHBondContact O-N 3.27Å; M595-L598 HydrophobicContact SD-CD2 4.1Å; M595-N599 PolarHBondContact O-N 2.95Å; M595-N599 PolarHBondContact O-OD1 3.39Å
596	G	82.2	Confident	79.3	Confident	43 Å²	43	63.7 Å²	63.7	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-30.5	175.5	0	0	0	0	0	114.3	F142 R594 K600	F142-G596 WeakPolarHBondContact CZ-O 3.49Å; R594-G596 VanDerWaalsContact C-N 3.28Å; R594-G596 PolarHBondContact O-N 3.35Å; G596-K600 PolarHBondContact O-N 3.4Å
597	L	81	Confident	78.4	Confident	14 Å²	14	64.9 Å²	64.9	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-42.5	173.7	-71.3	160.4	0	0	0	110.8	F142 F592 S593 R594 M595 H601	F142-L597 HydrophobicContact CD1-CD2 3.8Å; F142-L597 HydrophobicContact CD2-CD2 4.16Å; F142-L597 HydrophobicContact CE1-CB 4.33Å; F142-L597 HydrophobicContact CE1-CD2 3.63Å; F142-L597 HydrophobicContact CE1-CG 4.31Å; F142-L597 HydrophobicContact CE2-CD2 4Å; F142-L597 HydrophobicContact CG-CD2 4.06Å; F142-L597 HydrophobicContact CZ-CB 4.41Å; F142-L597 HydrophobicContact CZ-CD2 3.74Å; F142-L597 HydrophobicContact CZ-CG 4.16Å; F592-L597 HydrophobicContact CB-CB 3.82Å; F592-L597 HydrophobicContact CD1-CB 3.87Å; F592-L597 HydrophobicContact CG-CB 4.09Å; S593-L597 WeakPolarHBondContact OG-CD1 3.29Å; R594-L597 HydrophobicContact CB-CD1 3.9Å; R594-L597 HydrophobicContact CB-CG 4.22Å; R594-L597 HydrophobicContact CG-CD1 4.05Å; R594-L597 WeakPolarHBondContact O-CB 3.49Å; R594-L597 PolarHBondContact O-N 2.97Å; M595-L597 PolarHBondContact O-N 3.47Å; L597-H601 WeakPolarHBondContact O-CB 3.23Å; L597-H601 PolarHBondContact O-N 3.36Å
598	L	83.2	Confident	77.1	Confident	18 Å²	18	64.8 Å²	64.8	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-47.2	173.1	175.8	59.6	0	0	0	111	C585 F592 R594 M595 K600 H601 M602	C585-L598 HydrophobicContact CB-CD1 3.93Å; F592-L598 HydrophobicContact CD2-CB 4.22Å; F592-L598 HydrophobicContact CD2-CD1 4.11Å; F592-L598 HydrophobicContact CE2-CD1 4.32Å; R594-L598 PolarHBondContact O-N 2.91Å; M595-L598 WeakPolarHBondContact O-CA 3.36Å; M595-L598 WeakPolarHBondContact O-CB 3.18Å; M595-L598 PolarHBondContact O-N 3.27Å; M595-L598 HydrophobicContact SD-CD2 4.1Å; L598-K600 PolarHBondContact O-N 3.31Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.42Å; L598-H601 WeakPolarHBondContact O-CB 3.38Å; L598-H601 PolarHBondContact O-N 3.41Å; L598-H601 VanDerWaalsContact O-N 3.08Å; L598-M602 HydrophobicContact CD1-CG 3.73Å; L598-M602 HydrophobicContact CD1-SD 4.07Å; L598-M602 HydrophobicContact CG-CG 4.01Å; L598-M602 WeakPolarHBondContact O-CG 3.38Å; L598-M602 PolarHBondContact O-N 2.76Å
599	N	84	Confident	75.4	Confident	89 Å²	89	64.8 Å²	64.8	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-44.9	-174.6	-71.2	13.1	0	0	0	113.3	M595 H601 M602 I603	M595-N599 PolarHBondContact O-N 2.95Å; M595-N599 PolarHBondContact O-OD1 3.39Å; N599-H601 VanDerWaalsContact C-N 3.3Å; N599-H601 PolarHBondContact O-N 3.31Å; N599-M602 PolarHBondContact O-N 3.04Å; N599-I603 WeakPolarHBondContact O-CG1 3.47Å; N599-I603 PolarHBondContact O-N 3.31Å
600	K	83.8	Confident	73.8	Confident	102 Å²	102	65.4 Å²	65.4	44%	0.443	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-35.7	174.2	-57.8	-163.7	-164.9	170.8	0	111.9	F142 G596 L598 Q604	F142-K600 HydrophobicContact CD1-CB 4.41Å; F142-K600 HydrophobicContact CD1-CD 3.98Å; F142-K600 HydrophobicContact CD2-CD 4.43Å; F142-K600 HydrophobicContact CE1-CB 3.66Å; F142-K600 HydrophobicContact CE1-CD 3.48Å; F142-K600 VanDerWaalsContact CE1-CD 3.48Å; F142-K600 HydrophobicContact CE1-CG 3.71Å; F142-K600 HydrophobicContact CE2-CD 4.01Å; F142-K600 HydrophobicContact CG-CD 4.42Å; F142-K600 HydrophobicContact CZ-CB 4.22Å; F142-K600 HydrophobicContact CZ-CD 3.5Å; F142-K600 VanDerWaalsContact CZ-CE 3.49Å; F142-K600 HydrophobicContact CZ-CG 3.76Å; G596-K600 PolarHBondContact O-N 3.4Å; L598-K600 PolarHBondContact O-N 3.31Å; K600-Q604 PolarHBondContact O-N 2.98Å
601	H	85.3	Confident	72.3	Confident	17 Å²	17	63.5 Å²	63.5	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-38.8	175.2	170.2	55	0	0	0	111.9	C588 F592 L597 L598 N599 I603 Q604 C605	C588-H601 PolarHBondContact SG-NE2 2.84Å; F592-H601 HydrophobicContact CE1-CB 4.23Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.19Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.29Å; F592-H601 AromaticContact CE2-CG 3.72Å; F592-H601 AromaticContact CE2-NE2 3.92Å; F592-H601 HydrophobicContact CZ-CB 3.69Å; F592-H601 AromaticContact CZ-CD2 3.33Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.24Å; F592-H601 AromaticContact CZ-CG 3.38Å; F592-H601 AromaticContact CZ-NE2 3.95Å; L597-H601 WeakPolarHBondContact O-CB 3.23Å; L597-H601 PolarHBondContact O-N 3.36Å; L598-H601 CarbonylContact O-C 3.49Å; L598-H601 WeakPolarHBondContact O-CA 3.42Å; L598-H601 WeakPolarHBondContact O-CB 3.38Å; L598-H601 PolarHBondContact O-N 3.41Å; L598-H601 VanDerWaalsContact O-N 3.08Å; N599-H601 VanDerWaalsContact C-N 3.3Å; N599-H601 PolarHBondContact O-N 3.31Å; H601-I603 PolarHBondContact O-N 3.27Å; H601-Q604 CarbonylContact O-C 3.59Å; H601-Q604 WeakPolarHBondContact O-CA 3.35Å; H601-Q604 PolarHBondContact O-N 3.2Å; H601-C605 VanDerWaalsContact O-CB 3.23Å; H601-C605 WeakPolarHBondContact O-CB 3.42Å; H601-C605 PolarHBondContact O-N 3.3Å
602	M	81.5	Confident	70.5	Confident	47 Å²	47	66.3 Å²	66.3	23%	0.232	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-46.4	177.7	-76.4	-66.3	-69	0	0	111.6	P586 H587 L598 N599 Q604 C605 T606	P586-M602 HydrophobicContact CG-CE 3.91Å; P586-M602 HydrophobicContact CG-SD 4.06Å; H587-M602 VanDerWaalsContact CD2-CE 3.49Å; H587-M602 WeakPolarHBondContact CD2-CE 3.5Å; L598-M602 HydrophobicContact CD1-CG 3.73Å; L598-M602 HydrophobicContact CD1-SD 4.07Å; L598-M602 HydrophobicContact CG-CG 4.01Å; L598-M602 WeakPolarHBondContact O-CG 3.38Å; L598-M602 PolarHBondContact O-N 2.76Å; N599-M602 PolarHBondContact O-N 3.04Å; M602-Q604 PolarHBondContact O-N 2.94Å; M602-C605 PolarHBondContact O-N 3.12Å; M602-T606 PolarHBondContact O-N 3.26Å; M602-T606 PolarHBondContact O-OG1 3.09Å
603	I	83	Confident	68.6	Low	104 Å²	104	70.7 Å²	70.7	53%	0.533	37%	0.371	S	S	.	.	H	α-helix	trans	-56.3	-33.1	175.7	-63.9	165.7	0	0	0	111.7	N599 H601 T606	N599-I603 WeakPolarHBondContact O-CG1 3.47Å; N599-I603 PolarHBondContact O-N 3.31Å; H601-I603 PolarHBondContact O-N 3.27Å; I603-T606 PolarHBondContact O-OG1 2.96Å
604	Q	77.7	Confident	66.7	Low	118 Å²	118	75 Å²	75	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-89	-22.6	176.4	-64.2	175.3	-29.2	0	0	113.3	K600 H601 M602 N608	K600-Q604 PolarHBondContact O-N 2.98Å; H601-Q604 CarbonylContact O-C 3.59Å; H601-Q604 WeakPolarHBondContact O-CA 3.35Å; H601-Q604 PolarHBondContact O-N 3.2Å; M602-Q604 PolarHBondContact O-N 2.94Å; Q604-N608 PolarHBondContact O-ND2 2.75Å
605	C	76.5	Confident	65.1	Low	9 Å²	9	74.6 Å²	74.6	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-85	-36	-173.5	-162.4	0	0	0	0	111.9	H601 M602 Q607 N608 T609	H601-C605 VanDerWaalsContact O-CB 3.23Å; H601-C605 WeakPolarHBondContact O-CB 3.42Å; H601-C605 PolarHBondContact O-N 3.3Å; M602-C605 PolarHBondContact O-N 3.12Å; C605-Q607 VanDerWaalsContact C-N 3.29Å; C605-Q607 PolarHBondContact O-N 2.87Å; C605-N608 CarbonylContact O-C 3.44Å; C605-N608 PolarHBondContact O-N 3.22Å; C605-T609 PolarHBondContact O-N 3.29Å; C605-T609 PolarHBondContact O-OG1 3.28Å
606	T	66.4	Low	63	Low	62 Å²	62	75 Å²	75	38%	0.38	40%	0.403	S	S	.	.	H	α-helix	trans	-55.6	-46.9	172.1	48.3	0	0	0	0	110.9	M602 I603 N608 T609	M602-T606 PolarHBondContact O-N 3.26Å; M602-T606 PolarHBondContact O-OG1 3.09Å; I603-T606 PolarHBondContact O-OG1 2.96Å; T606-N608 PolarHBondContact O-N 3.33Å; T606-N608 VanDerWaalsContact O-N 3.15Å; T606-T609 WeakPolarHBondContact CA-OG1 3.16Å; T606-T609 PolarHBondContact O-N 2.58Å; T606-T609 PolarHBondContact O-OG1 3.04Å
607	Q	62	Low	60.7	Low	127 Å²	127	77.5 Å²	77.5	59%	0.593	41%	0.413	S	S	*	.	H	α-helix	trans	-58.9	-24.3	174.7	-62.9	177.3	-20.5	0	0	113.8	C605 S611	C605-Q607 VanDerWaalsContact C-N 3.29Å; C605-Q607 PolarHBondContact O-N 2.87Å; Q607-S611 PolarHBondContact O-OG 3.37Å
608	N	52.2	Low	58.5	Low	88 Å²	88	85.1 Å²	85.1	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-100.2	-18.7	-178.4	-82.8	-89.7	0	0	0	113.8	Q604 C605 T606 S611 N612	Q604-N608 PolarHBondContact O-ND2 2.75Å; C605-N608 CarbonylContact O-C 3.44Å; C605-N608 PolarHBondContact O-N 3.22Å; T606-N608 PolarHBondContact O-N 3.33Å; T606-N608 VanDerWaalsContact O-N 3.15Å; N608-S611 PolarHBondContact O-N 3.22Å; N608-N612 PolarHBondContact O-N 3.33Å; N608-N612 PolarHBondContact O-ND2 3.36Å
609	T	51.2	Low	56.1	Low	35 Å²	35	91.5 Å²	91.5	22%	0.215	47%	0.468	C	S	.	.	H	α-helix	trans	-67.6	-36.1	173.6	25.5	0	0	0	0	112.4	H587 C605 T606 S611 N612 N613	H587-T609 HydrophobicContact CB-CG2 3.85Å; C605-T609 PolarHBondContact O-N 3.29Å; C605-T609 PolarHBondContact O-OG1 3.28Å; T606-T609 WeakPolarHBondContact CA-OG1 3.16Å; T606-T609 PolarHBondContact O-N 2.58Å; T606-T609 PolarHBondContact O-OG1 3.04Å; T609-S611 VanDerWaalsContact C-N 3.3Å; T609-S611 PolarHBondContact O-N 3.37Å; T609-N612 PolarHBondContact O-N 3.1Å; T609-N613 WeakPolarHBondContact O-CB 3.5Å; T609-N613 PolarHBondContact O-N 3.26Å; T609-N613 VanDerWaalsContact O-N 3.07Å; T609-N613 PolarHBondContact O-ND2 2.85Å
610	E	44.7	Very low	53.6	Low	147 Å²	147	93.8 Å²	93.8	69%	0.687	48%	0.481	S	S	*	.	H	α-helix	trans	-65.2	-34.9	177.1	-64.4	176.4	176.6	0	0	111.8
611	S	43.7	Very low	50.9	Low	65 Å²	65	96.1 Å²	96.1	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-69.1	-45.1	174.7	-24.1	0	0	0	0	112.1	Q607 N608 T609	Q607-S611 PolarHBondContact O-OG 3.37Å; N608-S611 PolarHBondContact O-N 3.22Å; T609-S611 VanDerWaalsContact C-N 3.3Å; T609-S611 PolarHBondContact O-N 3.37Å
612	N	41.6	Very low	48.1	Very low	89 Å²	89	101.9 Å²	101.9	48%	0.476	53%	0.529	S	S	.	.	H	α-helix	trans	-77.7	-30.8	-172.5	-77.9	-77.6	0	0	0	113.8	N608 T609 N614 V615	N608-N612 PolarHBondContact O-N 3.33Å; N608-N612 PolarHBondContact O-ND2 3.36Å; T609-N612 PolarHBondContact O-N 3.1Å; N612-N614 PolarHBondContact O-N 3.28Å; N612-V615 PolarHBondContact O-N 3.48Å
613	N	37.7	Very low	45.8	Very low	111 Å²	111	105.3 Å²	105.3	59%	0.594	55%	0.553	S	S	*	*	H	α-helix	trans	-64.7	-22.3	175.9	-73.5	-20.1	0	0	0	112.9	T609	T609-N613 WeakPolarHBondContact O-CB 3.5Å; T609-N613 PolarHBondContact O-N 3.26Å; T609-N613 VanDerWaalsContact O-N 3.07Å; T609-N613 PolarHBondContact O-ND2 2.85Å
614	N	33.1	Very low	43.1	Very low	114 Å²	114	109.9 Å²	109.9	61%	0.61	57%	0.574	S	S	*	*	H	α-helix	trans	-78.7	-17.3	172.4	-98.4	-58.9	0	0	0	114.5	N612	N612-N614 PolarHBondContact O-N 3.28Å
615	V	39.1	Very low	40.8	Very low	74 Å²	74	112.5 Å²	112.5	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-84.1	-38.8	-179.3	-179.9	0	0	0	0	111.4	N612 S617 R618	N612-V615 PolarHBondContact O-N 3.48Å; V615-S617 PolarHBondContact O-N 3.46Å; V615-R618 PolarHBondContact O-N 3.47Å
616	N	34	Very low	38.7	Very low	102 Å²	102	118.2 Å²	118.2	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-71.8	-30.6	-173.8	-69.7	-27.9	0	0	0	113.3	R618 K619	N616-R618 PolarHBondContact O-N 2.93Å; N616-K619 PolarHBondContact O-N 3.01Å
617	S	34	Very low	36.7	Very low	95 Å²	95	120.1 Å²	120.1	66%	0.664	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-10.9	176.2	-58.8	0	0	0	0	114.5	V615	V615-S617 PolarHBondContact O-N 3.46Å
618	R	33.4	Very low	35.2	Very low	174 Å²	174	121.8 Å²	121.8	66%	0.657	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-1.2	178.5	-75.4	-176.9	173.7	164	1.3	114.7	V615 N616	V615-R618 PolarHBondContact O-N 3.47Å; N616-R618 PolarHBondContact O-N 2.93Å
619	K	33.8	Very low	33.9	Very low	152 Å²	152	122.3 Å²	122.3	66%	0.661	66%	0.657	S	S	*	*	S	Bend	trans	-100.4	-14.5	-179.7	-73	-175.2	175	179.4	0	115.2	N616 N621	N616-K619 PolarHBondContact O-N 3.01Å; K619-N621 PolarHBondContact O-N 3.15Å
620	N	30	Very low	32.9	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-4.8	-173.5	-72.8	4.8	0	0	0	115.4
621	N	27.5	Very low	32.3	Very low	151 Å²	151	132 Å²	132	81%	0.807	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	27.4	179.6	-75.2	11.8	0	0	0	113.5	K619	K619-N621 PolarHBondContact O-N 3.15Å
622	N	27.2	Very low	31.9	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	71%	0.708	S	S	*	*	S	Bend	trans	-139.7	141.3	169.6	-93.6	-52	0	0	0	111.8
623	T	32.5	Very low	31.3	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.724	72%	0.724	S	S	*	*			trans	56.1	83.1	173.6	53.1	0	0	0	0	117.4	K625	T623-K625 VanDerWaalsContact C-N 3.28Å; T623-K625 PolarHBondContact O-N 3.2Å
624	M	26.5	Very low	31	Very low	200 Å²	200	140.3 Å²	140.3	99%	0.985	73%	0.731	S	S	*	*			trans	-58.3	91.3	141.1	-98.6	-90.7	-173.3	0	0	109.2
625	K	30.7	Very low	30.9	Very low	173 Å²	173	144.1 Å²	144.1	75%	0.752	74%	0.743	S	S	*	*			trans	-142	119	166.2	-77.7	-162.1	174	-177.3	0	112.4	T623	T623-K625 VanDerWaalsContact C-N 3.28Å; T623-K625 PolarHBondContact O-N 3.2Å
626	T	31.2	Very low	30.8	Very low	129 Å²	129	148.8 Å²	148.8	79%	0.791	78%	0.778	S	S	*	*			trans	49.3	95.7	153.9	55.2	0	0	0	0	117.5
627	S	24.6	Very low	30.6	Very low	103 Å²	103	151.1 Å²	151.1	72%	0.72	79%	0.79	S	S	*	*			trans	-26.6	137.5	141.6	51.5	0	0	0	0	115.1
628	N	30.5	Very low	30.5	Very low	161 Å²	161	154.1 Å²	154.1	86%	0.861	80%	0.796	S	S	*	*			trans	-149.6	117.7	133.5	-116.4	-16.9	0	0	0	110.2
629	C	25.9	Very low	30.3	Very low	99 Å²	99	152.9 Å²	152.9	67%	0.669	80%	0.804	S	S	*	*			trans	-83.5	138	175.1	-59	0	0	0	0	109.4
630	Y	29.4	Very low	30.1	Very low	235 Å²	235	153 Å²	153	92%	0.922	81%	0.813	S	S	*	*			trans	-120.7	121.3	146.3	-99.4	-90.2	0	0	0	108.1
631	L	32.8	Very low	30.1	Very low	152 Å²	152	153.9 Å²	153.9	80%	0.796	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.3	160.2	-171.8	-82.3	167.6	0	0	0	111.5
632	P	34.9	Very low	30.3	Very low	108 Å²	108	154.1 Å²	154.1	70%	0.701	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79.8	157.5	-169	32.5	-36.9	0	0	0	113.5	K634	P632-K634 PolarHBondContact O-N 3.27Å
633	I	28	Very low	30.5	Very low	160 Å²	160	155.3 Å²	155.3	82%	0.821	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.9	121.5	167.7	-58.8	173.4	0	0	0	108.6
634	K	31.8	Very low	30.3	Very low	170 Å²	170	158.2 Å²	158.2	74%	0.739	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-92.1	149.5	164.8	-78.7	-169.3	169.5	-161.9	0	110.7	P632	P632-K634 PolarHBondContact O-N 3.27Å
635	F	32	Very low	30.7	Very low	195 Å²	195	154.7 Å²	154.7	86%	0.855	82%	0.819	S	S	*	*			trans	-124.6	134.8	145.1	-95.2	-88.7	0	0	0	107.5
636	S	36.3	Very low	30.7	Very low	171 Å²	171	153 Å²	153	100%	1.196	83%	0.825	S	S	*	*			trans	42.2	0	-173.8	64.1	0	0	0	0	114.8

Retrieved 636 of 636 residues in 363.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).