A0A093HQJ1_STRCA Loading...

Fidgetin-like protein 1

AlphaFold DB , UniProt , Accession A0A093HQJ1, Species STRCA (Struthio camelus australis), Gene n/a, Length 691 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	44.4	Very low	245 Å²	245	127.9 Å²	127.9	100%	1.207	68%	0.683	S	S	*	*				0	107.8	0	-81	174.3	160.7	0	0	107.5
2	E	36.9	Very low	45.7	Very low	195 Å²	195	120.4 Å²	120.4	91%	0.911	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-80	148.3	167.6	-66.5	176.1	115.1	0	0	109.2
3	K	35.1	Very low	46.9	Very low	194 Å²	194	116.2 Å²	116.2	84%	0.843	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-79.3	136.5	172.4	-72	-176.5	176.8	-178.9	0	109.2	T5	K3-T5 PolarHBondContact O-N 2.71Å
4	P	38.9	Very low	48.2	Very low	103 Å²	103	115.2 Å²	115.2	67%	0.669	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-59.6	135.1	169.5	-20.8	32.5	0	0	0	110.8	H6	P4-H6 PolarHBondContact O-N 2.64Å; P4-H6 VanDerWaalsContact O-N 3.17Å
5	T	40.5	Very low	49.2	Very low	97 Å²	97	114.2 Å²	114.2	60%	0.595	60%	0.599	S	S	*	*			trans	-77.5	100.8	175.5	45.6	0	0	0	0	109.7	K3 G7 T8	K3-T5 PolarHBondContact O-N 2.71Å; T5-G7 PolarHBondContact O-N 3.04Å; T5-T8 PolarHBondContact O-N 2.99Å; T5-T8 PolarHBondContact O-OG1 2.81Å; T5-T8 WeakPolarHBondContact OG1-CG2 3.06Å; T5-T8 PolarHBondContact OG1-OG1 2.8Å
6	H	49.3	Very low	50.3	Low	172 Å²	172	114.3 Å²	114.3	80%	0.796	59%	0.593	S	S	*	*	H	α-helix	trans	-47.5	-33.5	-173.7	-83.6	-106.1	0	0	0	114.8	P4 T8	P4-H6 PolarHBondContact O-N 2.64Å; P4-H6 VanDerWaalsContact O-N 3.17Å; H6-T8 VanDerWaalsContact C-N 3.31Å; H6-T8 PolarHBondContact O-N 3.25Å
7	G	47.5	Very low	51.2	Low	58 Å²	58	110.7 Å²	110.7	60%	0.598	58%	0.58	S	S	*	*	H	α-helix	trans	-63.9	-25.8	178	0	0	0	0	0	115.4	T5 L11	T5-G7 PolarHBondContact O-N 3.04Å; G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 3.33Å
8	T	45.2	Very low	52.3	Low	87 Å²	87	110.2 Å²	110.2	53%	0.534	57%	0.57	S	S	.	*	H	α-helix	trans	-75.2	-39.6	-178	55.7	0	0	0	0	112.8	T5 H6 S12	T5-T8 PolarHBondContact O-N 2.99Å; T5-T8 PolarHBondContact O-OG1 2.81Å; T5-T8 WeakPolarHBondContact OG1-CG2 3.06Å; T5-T8 PolarHBondContact OG1-OG1 2.8Å; H6-T8 VanDerWaalsContact C-N 3.31Å; H6-T8 PolarHBondContact O-N 3.25Å; T8-S12 WeakPolarHBondContact O-CB 3.45Å; T8-S12 PolarHBondContact O-N 3.43Å; T8-S12 VanDerWaalsContact O-N 3.09Å
9	V	51.5	Low	53.1	Low	79 Å²	79	112.5 Å²	112.5	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-62.4	-55.4	179.5	-177.7	0	0	0	0	110	L11 S12 D13	V9-L11 VanDerWaalsContact C-N 3.29Å; V9-L11 PolarHBondContact O-N 3.32Å; V9-S12 WeakPolarHBondContact O-CB 3.41Å; V9-S12 PolarHBondContact O-N 3.02Å; V9-S12 PolarHBondContact O-OG 3.44Å; V9-D13 PolarHBondContact O-N 3.02Å
10	H	54.7	Low	53.8	Low	75 Å²	75	109.4 Å²	109.4	35%	0.347	57%	0.568	S	S	.	*	H	α-helix	trans	-61.4	-36	-174.4	-152.9	-143.4	0	0	0	112.4	W14 Q41	H10-W14 VanDerWaalsContact O-CB 3.29Å; H10-W14 WeakPolarHBondContact O-CB 3.26Å; H10-W14 PolarHBondContact O-N 2.9Å; H10-Q41 PolarHBondContact CD2-NE2 2.98Å; H10-Q41 VanDerWaalsContact CD2-NE2 3.33Å; H10-Q41 PolarHBondContact NE2-NE2 3.35Å
11	L	52.6	Low	54.7	Low	102 Å²	102	104.8 Å²	104.8	53%	0.534	54%	0.543	S	S	.	.	H	α-helix	trans	-72.3	-37.3	176.2	-159.3	148	0	0	0	111.9	G7 V9 W14 Q15	G7-L11 WeakPolarHBondContact O-CB 3.5Å; G7-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact C-N 3.29Å; V9-L11 PolarHBondContact O-N 3.32Å; L11-W14 PolarHBondContact O-N 3.41Å; L11-Q15 HydrophobicContact CD2-CG 4.33Å; L11-Q15 WeakPolarHBondContact O-CG 3.19Å; L11-Q15 PolarHBondContact O-N 2.89Å
12	S	59.8	Low	56.2	Low	38 Å²	38	97.2 Å²	97.2	27%	0.266	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-42.8	174.9	86.1	0	0	0	0	112.2	T8 V9 Q15 K16	T8-S12 WeakPolarHBondContact O-CB 3.45Å; T8-S12 PolarHBondContact O-N 3.43Å; T8-S12 VanDerWaalsContact O-N 3.09Å; V9-S12 WeakPolarHBondContact O-CB 3.41Å; V9-S12 PolarHBondContact O-N 3.02Å; V9-S12 PolarHBondContact O-OG 3.44Å; S12-Q15 PolarHBondContact O-N 3.21Å; S12-K16 WeakPolarHBondContact O-CE 3.42Å; S12-K16 VanDerWaalsContact O-CG 3.27Å; S12-K16 WeakPolarHBondContact O-CG 3.36Å; S12-K16 PolarHBondContact O-N 2.69Å; S12-K16 PolarHBondContact OG-NZ 3.2Å
13	D	61.7	Low	57.7	Low	65 Å²	65	90 Å²	90	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-73	-33.7	177.5	-66.1	-41	0	0	0	111.2	V9 Q15 K16 S17	V9-D13 PolarHBondContact O-N 3.02Å; D13-Q15 VanDerWaalsContact C-N 3.32Å; D13-Q15 PolarHBondContact O-N 2.99Å; D13-K16 PolarHBondContact O-N 2.8Å; D13-K16 IonicContact OD1-NZ 3.34Å; D13-K16 PolarHBondContact OD1-NZ 3.37Å; D13-S17 PolarHBondContact O-N 3.31Å; D13-S17 PolarHBondContact O-OG 3.24Å
14	W	64.6	Low	59	Low	103 Å²	103	84.6 Å²	84.6	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-59.7	-44.5	172.4	-173	97.6	0	0	0	111.6	H10 L11 Y18 K38	H10-W14 VanDerWaalsContact O-CB 3.29Å; H10-W14 WeakPolarHBondContact O-CB 3.26Å; H10-W14 PolarHBondContact O-N 2.9Å; L11-W14 PolarHBondContact O-N 3.41Å; W14-Y18 HydrophobicContact CH2-CD2 4.11Å; W14-Y18 HydrophobicContact CH2-CG 4.45Å; W14-Y18 HydrophobicContact CZ2-CD2 4.46Å; W14-Y18 HydrophobicContact CZ3-CG 4.47Å; W14-Y18 WeakPolarHBondContact O-CB 3.35Å; W14-Y18 PolarHBondContact O-N 3.08Å; W14-Y18 VanDerWaalsContact O-N 3.08Å; W14-K38 VanDerWaalsContact CA-NZ 3.27Å; W14-K38 PolarHBondContact O-NZ 3.09Å
15	Q	63.9	Low	60.3	Low	100 Å²	100	85.9 Å²	85.9	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-46.3	175.9	-73.9	176.4	-24.1	0	0	112.3	L11 S12 D13 S17 Y18 F19	L11-Q15 HydrophobicContact CD2-CG 4.33Å; L11-Q15 WeakPolarHBondContact O-CG 3.19Å; L11-Q15 PolarHBondContact O-N 2.89Å; S12-Q15 PolarHBondContact O-N 3.21Å; D13-Q15 VanDerWaalsContact C-N 3.32Å; D13-Q15 PolarHBondContact O-N 2.99Å; Q15-S17 PolarHBondContact O-N 2.75Å; Q15-Y18 PolarHBondContact O-N 3.24Å; Q15-Y18 VanDerWaalsContact O-N 3.13Å; Q15-F19 WeakPolarHBondContact O-CD2 3.36Å; Q15-F19 PolarHBondContact O-N 2.88Å
16	K	66.3	Low	61.7	Low	116 Å²	116	82.2 Å²	82.2	50%	0.504	47%	0.466	S	S	.	.	H	α-helix	trans	-54	-51.3	177.2	-71.4	164.5	-144.4	159.3	0	111.5	S12 D13 Y18 F19 A20	S12-K16 WeakPolarHBondContact O-CE 3.42Å; S12-K16 VanDerWaalsContact O-CG 3.27Å; S12-K16 WeakPolarHBondContact O-CG 3.36Å; S12-K16 PolarHBondContact O-N 2.69Å; S12-K16 PolarHBondContact OG-NZ 3.2Å; D13-K16 PolarHBondContact O-N 2.8Å; D13-K16 IonicContact OD1-NZ 3.34Å; D13-K16 PolarHBondContact OD1-NZ 3.37Å; K16-Y18 VanDerWaalsContact C-N 3.33Å; K16-Y18 PolarHBondContact O-N 3.33Å; K16-F19 PolarHBondContact O-N 3.36Å; K16-A20 PolarHBondContact O-N 3.04Å
17	S	65.8	Low	63	Low	53 Å²	53	77.4 Å²	77.4	37%	0.371	45%	0.448	S	S	.	.	H	α-helix	trans	-67.5	-32.4	179.1	-53.5	0	0	0	0	112.6	D13 Q15 A20 I21	D13-S17 PolarHBondContact O-N 3.31Å; D13-S17 PolarHBondContact O-OG 3.24Å; Q15-S17 PolarHBondContact O-N 2.75Å; S17-A20 PolarHBondContact O-N 2.7Å; S17-I21 VanDerWaalsContact O-CD1 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.19Å; S17-I21 WeakPolarHBondContact O-CG1 3.47Å; S17-I21 PolarHBondContact O-N 3.44Å
18	Y	70.8	Confident	64.4	Low	102 Å²	102	76.1 Å²	76.1	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-65.5	-44.1	174.5	-174	-88.5	0	0	0	111.5	W14 Q15 K16 I21 T22	W14-Y18 HydrophobicContact CH2-CD2 4.11Å; W14-Y18 HydrophobicContact CH2-CG 4.45Å; W14-Y18 HydrophobicContact CZ2-CD2 4.46Å; W14-Y18 HydrophobicContact CZ3-CG 4.47Å; W14-Y18 WeakPolarHBondContact O-CB 3.35Å; W14-Y18 PolarHBondContact O-N 3.08Å; W14-Y18 VanDerWaalsContact O-N 3.08Å; Q15-Y18 PolarHBondContact O-N 3.24Å; Q15-Y18 VanDerWaalsContact O-N 3.13Å; K16-Y18 VanDerWaalsContact C-N 3.33Å; K16-Y18 PolarHBondContact O-N 3.33Å; Y18-I21 PolarHBondContact O-N 2.93Å; Y18-T22 VanDerWaalsContact O-CB 3.32Å; Y18-T22 WeakPolarHBondContact O-CB 3.46Å; Y18-T22 PolarHBondContact O-N 3.14Å; Y18-T22 PolarHBondContact O-OG1 2.98Å
19	F	67.7	Low	65.8	Low	153 Å²	153	73.1 Å²	73.1	67%	0.671	42%	0.416	S	S	*	.	H	α-helix	trans	-63.2	-42.3	174	-91.5	-79.6	0	0	0	112.3	Q15 K16 I21 T22 S23	Q15-F19 WeakPolarHBondContact O-CD2 3.36Å; Q15-F19 PolarHBondContact O-N 2.88Å; K16-F19 PolarHBondContact O-N 3.36Å; F19-I21 PolarHBondContact O-N 2.9Å; F19-T22 PolarHBondContact O-N 3.28Å; F19-S23 WeakPolarHBondContact O-CB 3.32Å; F19-S23 PolarHBondContact O-N 3.06Å; F19-S23 PolarHBondContact O-OG 2.75Å
20	A	66.6	Low	67.1	Low	51 Å²	51	74.7 Å²	74.7	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-37.7	177.6	0	0	0	0	0	113.5	K16 S17 S23 C26	K16-A20 PolarHBondContact O-N 3.04Å; S17-A20 PolarHBondContact O-N 2.7Å; A20-S23 PolarHBondContact O-OG 2.73Å; A20-C26 VanDerWaalsContact O-CB 3.3Å; A20-C26 WeakPolarHBondContact O-CB 3.3Å; A20-C26 PolarHBondContact O-SG 2.99Å
21	I	73	Confident	68.4	Low	12 Å²	12	73.7 Å²	73.7	6%	0.062	41%	0.413	C	S	.	.	H	α-helix	trans	-73.6	-34.8	176.3	-64.1	160.9	0	0	0	111.2	S17 Y18 F19 G34 Y35 K38	S17-I21 VanDerWaalsContact O-CD1 3.31Å; S17-I21 WeakPolarHBondContact O-CD1 3.19Å; S17-I21 WeakPolarHBondContact O-CG1 3.47Å; S17-I21 PolarHBondContact O-N 3.44Å; Y18-I21 PolarHBondContact O-N 2.93Å; F19-I21 PolarHBondContact O-N 2.9Å; I21-G34 VanDerWaalsContact CD1-C 3.44Å; I21-Y35 HydrophobicContact CD1-CD1 4.26Å; I21-Y35 HydrophobicContact CG2-CD1 4.09Å; I21-Y35 HydrophobicContact CG2-CE1 3.54Å; I21-Y35 HydrophobicContact CG2-CE2 3.99Å; I21-Y35 VanDerWaalsContact CG2-CZ 3.48Å; I21-K38 HydrophobicContact CD1-CG 4.17Å
22	T	68.2	Low	69.8	Low	87 Å²	87	69 Å²	69	53%	0.534	39%	0.389	S	S	.	.	H	α-helix	trans	-84.9	-14.7	-177	-46.8	0	0	0	0	112.6	Y18 F19	Y18-T22 VanDerWaalsContact O-CB 3.32Å; Y18-T22 WeakPolarHBondContact O-CB 3.46Å; Y18-T22 PolarHBondContact O-N 3.14Å; Y18-T22 PolarHBondContact O-OG1 2.98Å; F19-T22 PolarHBondContact O-N 3.28Å
23	S	67.3	Low	70.8	Confident	44 Å²	44	71.9 Å²	71.9	31%	0.308	40%	0.401	S	S	.	.	S	Bend	trans	-71.7	133.3	176.8	62.8	0	0	0	0	111.7	F19 A20 T25 C26	F19-S23 WeakPolarHBondContact O-CB 3.32Å; F19-S23 PolarHBondContact O-N 3.06Å; F19-S23 PolarHBondContact O-OG 2.75Å; A20-S23 PolarHBondContact O-OG 2.73Å; S23-T25 PolarHBondContact O-N 3.41Å; S23-T25 PolarHBondContact OG-OG1 3.42Å; S23-C26 PolarHBondContact O-N 3.02Å
24	G	62.9	Low	71.8	Confident	79 Å²	79	69.6 Å²	69.6	81%	0.814	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18	-178.5	0	0	0	0	0	114.8	C26	G24-C26 VanDerWaalsContact C-N 3.35Å; G24-C26 PolarHBondContact O-N 3.4Å
25	T	66.8	Low	72.9	Confident	130 Å²	130	65.9 Å²	65.9	80%	0.798	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.4	-178.5	48.5	0	0	0	0	115.4	S23	S23-T25 PolarHBondContact O-N 3.41Å; S23-T25 PolarHBondContact OG-OG1 3.42Å
26	C	70.1	Confident	73.9	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.135	38%	0.382	C	S	.	.	S	Bend	trans	-91.9	131.8	-173.2	-170.7	0	0	0	0	111.4	A20 S23 G24 Q30 K31	A20-C26 VanDerWaalsContact O-CB 3.3Å; A20-C26 WeakPolarHBondContact O-CB 3.3Å; A20-C26 PolarHBondContact O-SG 2.99Å; S23-C26 PolarHBondContact O-N 3.02Å; G24-C26 VanDerWaalsContact C-N 3.35Å; G24-C26 PolarHBondContact O-N 3.4Å; C26-Q30 WeakPolarHBondContact SG-CB 3.33Å; C26-K31 HydrophobicContact CB-CG 4.12Å; C26-K31 WeakPolarHBondContact O-CE 3.48Å; C26-K31 PolarHBondContact O-NZ 2.95Å
27	T	77.3	Confident	74.8	Confident	71 Å²	71	65 Å²	65	44%	0.436	38%	0.381	S	S	.	.			trans	-71.3	161.1	-176.8	68.7	0	0	0	0	112.3	G29 Q30 K31	T27-G29 VanDerWaalsContact C-N 3.3Å; T27-G29 PolarHBondContact O-N 3.4Å; T27-Q30 VanDerWaalsContact N-OE1 3.15Å; T27-Q30 PolarHBondContact O-N 2.89Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.39Å; T27-Q30 PolarHBondContact OG1-N 3.06Å; T27-Q30 PolarHBondContact OG1-OE1 3.48Å; T27-K31 WeakPolarHBondContact O-CG 3.41Å; T27-K31 PolarHBondContact O-N 2.9Å
28	P	74.9	Confident	75.7	Confident	31 Å²	31	62.7 Å²	62.7	20%	0.201	36%	0.364	C	S	.	.	H	α-helix	trans	-52.3	-45.1	176.3	-29.6	37.3	0	0	0	113.1	K31 A32 I70 E77 L80	P28-K31 PolarHBondContact O-N 2.75Å; P28-A32 PolarHBondContact O-N 3.48Å; P28-I70 HydrophobicContact CB-CG2 4.24Å; P28-E77 WeakPolarHBondContact CG-O 3.3Å; P28-L80 HydrophobicContact CB-CD1 3.77Å
29	G	75.5	Confident	76.5	Confident	24 Å²	24	58.9 Å²	58.9	25%	0.247	35%	0.35	C	S	.	.	H	α-helix	trans	-60.9	-47.6	177.5	0	0	0	0	0	112.9	T27 K31 A32 D33	T27-G29 VanDerWaalsContact C-N 3.3Å; T27-G29 PolarHBondContact O-N 3.4Å; G29-K31 VanDerWaalsContact C-N 3.29Å; G29-K31 PolarHBondContact O-N 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.5Å; G29-A32 PolarHBondContact O-N 2.93Å; G29-A32 VanDerWaalsContact O-N 3.14Å; G29-D33 PolarHBondContact O-N 3.1Å
30	Q	79.5	Confident	77.4	Confident	112 Å²	112	56.3 Å²	56.3	52%	0.523	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-32.4	177.9	-69	167.8	-21.3	0	0	112.6	C26 T27 G34	C26-Q30 WeakPolarHBondContact SG-CB 3.33Å; T27-Q30 VanDerWaalsContact N-OE1 3.15Å; T27-Q30 PolarHBondContact O-N 2.89Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.39Å; T27-Q30 PolarHBondContact OG1-N 3.06Å; T27-Q30 PolarHBondContact OG1-OE1 3.48Å; Q30-G34 PolarHBondContact O-N 3.27Å
31	K	81.1	Confident	78.2	Confident	54 Å²	54	56 Å²	56	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-42.5	171.8	-74.5	166.8	170.8	144.1	0	111.8	C26 T27 P28 G29 G34 Y35 I70	C26-K31 HydrophobicContact CB-CG 4.12Å; C26-K31 WeakPolarHBondContact O-CE 3.48Å; C26-K31 PolarHBondContact O-NZ 2.95Å; T27-K31 WeakPolarHBondContact O-CG 3.41Å; T27-K31 PolarHBondContact O-N 2.9Å; P28-K31 PolarHBondContact O-N 2.75Å; G29-K31 VanDerWaalsContact C-N 3.29Å; G29-K31 PolarHBondContact O-N 3.31Å; K31-G34 PolarHBondContact O-N 2.71Å; K31-Y35 VanDerWaalsContact O-CD2 3.28Å; K31-Y35 WeakPolarHBondContact O-CD2 3.44Å; K31-Y35 PolarHBondContact O-N 2.91Å; K31-I70 HydrophobicContact CB-CD1 3.64Å; K31-I70 HydrophobicContact CD-CD1 4.46Å
32	A	81.9	Confident	78.9	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-48.7	176	0	0	0	0	0	111.7	P28 G29 G34 Y35 R36 Y67 I70 I71 L80	P28-A32 PolarHBondContact O-N 3.48Å; G29-A32 WeakPolarHBondContact O-CB 3.5Å; G29-A32 PolarHBondContact O-N 2.93Å; G29-A32 VanDerWaalsContact O-N 3.14Å; A32-G34 VanDerWaalsContact C-N 3.31Å; A32-G34 PolarHBondContact O-N 3.42Å; A32-Y35 PolarHBondContact O-N 2.7Å; A32-R36 WeakPolarHBondContact O-CB 3.3Å; A32-R36 PolarHBondContact O-N 3.35Å; A32-Y67 HydrophobicContact CB-CD2 4.22Å; A32-Y67 HydrophobicContact CB-CE2 3.98Å; A32-Y67 WeakPolarHBondContact O-CD2 3.31Å; A32-Y67 WeakPolarHBondContact O-CE2 3.38Å; A32-I70 HydrophobicContact CB-CG2 4.16Å; A32-I71 HydrophobicContact CB-CD1 4.17Å; A32-L80 HydrophobicContact CB-CD1 4.21Å
33	D	80.7	Confident	79.7	Confident	99 Å²	99	56.2 Å²	56.2	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-39.7	174.5	-76.5	-35	0	0	0	112	G29 R36 A37	G29-D33 PolarHBondContact O-N 3.1Å; D33-R36 PolarHBondContact O-N 3.28Å; D33-A37 WeakPolarHBondContact O-CB 3.2Å; D33-A37 PolarHBondContact O-N 2.99Å
34	G	83.5	Confident	80.7	Confident	16 Å²	16	60.9 Å²	60.9	17%	0.165	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-44.7	173.8	0	0	0	0	0	113	I21 Q30 K31 A32 A37 K38	I21-G34 VanDerWaalsContact CD1-C 3.44Å; Q30-G34 PolarHBondContact O-N 3.27Å; K31-G34 PolarHBondContact O-N 2.71Å; A32-G34 VanDerWaalsContact C-N 3.31Å; A32-G34 PolarHBondContact O-N 3.42Å; G34-A37 PolarHBondContact O-N 3.5Å; G34-K38 WeakPolarHBondContact O-CG 3.28Å; G34-K38 PolarHBondContact O-N 3.09Å; G34-K38 VanDerWaalsContact O-N 3.11Å
35	Y	86.6	Confident	81.7	Confident	26 Å²	26	57.6 Å²	57.6	10%	0.102	31%	0.305	C	S	.	.	H	α-helix	trans	-67.9	-38.6	174.4	-71.1	-48	0	0	0	112.4	I21 K31 A32 A37 K38 I39 Y63 K66 I70	I21-Y35 HydrophobicContact CD1-CD1 4.26Å; I21-Y35 HydrophobicContact CG2-CD1 4.09Å; I21-Y35 HydrophobicContact CG2-CE1 3.54Å; I21-Y35 HydrophobicContact CG2-CE2 3.99Å; I21-Y35 VanDerWaalsContact CG2-CZ 3.48Å; K31-Y35 VanDerWaalsContact O-CD2 3.28Å; K31-Y35 WeakPolarHBondContact O-CD2 3.44Å; K31-Y35 PolarHBondContact O-N 2.91Å; A32-Y35 PolarHBondContact O-N 2.7Å; Y35-A37 VanDerWaalsContact C-N 3.35Å; Y35-A37 PolarHBondContact O-N 3.41Å; Y35-K38 WeakPolarHBondContact O-CB 3.45Å; Y35-K38 PolarHBondContact O-N 3.29Å; Y35-K38 VanDerWaalsContact O-N 3.15Å; Y35-I39 WeakPolarHBondContact O-CG1 3.44Å; Y35-I39 PolarHBondContact O-N 2.99Å; Y35-Y63 AromaticContact CD1-CD1 3.61Å; Y35-Y63 HydrophobicContact CD1-CD1 3.61Å; Y35-Y63 HydrophobicContact CD1-CE1 4.13Å; Y35-Y63 AromaticContact CE1-CD1 3.89Å; Y35-Y63 HydrophobicContact CE1-CD1 3.89Å; Y35-Y63 HydrophobicContact CE1-CE1 4.1Å; Y35-K66 HydrophobicContact CD1-CB 4.33Å; Y35-K66 HydrophobicContact CD2-CB 4.17Å; Y35-K66 HydrophobicContact CE1-CB 3.98Å; Y35-K66 HydrophobicContact CE1-CD 3.89Å; Y35-K66 HydrophobicContact CE1-CG 4.45Å; Y35-K66 HydrophobicContact CE2-CB 3.83Å; Y35-K66 WeakPolarHBondContact CE2-O 2.97Å; Y35-K66 HydrophobicContact CG-CB 4.41Å; Y35-K66 PolarHBondContact OH-NZ 3.43Å; Y35-I70 HydrophobicContact CD2-CD1 4.09Å; Y35-I70 HydrophobicContact CE2-CD1 3.74Å
36	R	86.6	Confident	82.7	Confident	140 Å²	140	57.6 Å²	57.6	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-42.8	174.5	-172.3	178.1	-179.2	-178.1	2.1	111.9	A32 D33 K38 I39 L40 Y67	A32-R36 WeakPolarHBondContact O-CB 3.3Å; A32-R36 PolarHBondContact O-N 3.35Å; D33-R36 PolarHBondContact O-N 3.28Å; R36-K38 VanDerWaalsContact C-N 3.35Å; R36-K38 PolarHBondContact O-N 2.93Å; R36-I39 PolarHBondContact O-N 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.31Å; R36-L40 PolarHBondContact O-N 3.17Å; R36-Y67 HydrophobicContact CB-CD2 4.47Å; R36-Y67 HydrophobicContact CB-CE2 4.1Å
37	A	83.3	Confident	83.5	Confident	58 Å²	58	60.3 Å²	60.3	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-38.5	173.8	0	0	0	0	0	112.4	D33 G34 Y35 L40 Q41	D33-A37 WeakPolarHBondContact O-CB 3.2Å; D33-A37 PolarHBondContact O-N 2.99Å; G34-A37 PolarHBondContact O-N 3.5Å; Y35-A37 VanDerWaalsContact C-N 3.35Å; Y35-A37 PolarHBondContact O-N 3.41Å; A37-L40 PolarHBondContact O-N 2.85Å; A37-Q41 WeakPolarHBondContact O-CB 3.31Å; A37-Q41 PolarHBondContact O-N 2.94Å
38	K	84.6	Confident	84	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-41.7	173	-71.2	-62.3	-174.2	-175.6	0	112.8	W14 I21 G34 Y35 R36 Q41 I42 Y63	W14-K38 VanDerWaalsContact CA-NZ 3.27Å; W14-K38 PolarHBondContact O-NZ 3.09Å; I21-K38 HydrophobicContact CD1-CG 4.17Å; G34-K38 WeakPolarHBondContact O-CG 3.28Å; G34-K38 PolarHBondContact O-N 3.09Å; G34-K38 VanDerWaalsContact O-N 3.11Å; Y35-K38 WeakPolarHBondContact O-CB 3.45Å; Y35-K38 PolarHBondContact O-N 3.29Å; Y35-K38 VanDerWaalsContact O-N 3.15Å; R36-K38 VanDerWaalsContact C-N 3.35Å; R36-K38 PolarHBondContact O-N 2.93Å; K38-Q41 PolarHBondContact O-N 3.25Å; K38-I42 WeakPolarHBondContact O-CD1 3.34Å; K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 3.37Å; K38-Y63 HydrophobicContact CB-CG 4.48Å
39	I	88.7	Confident	84.5	Confident	22 Å²	22	64 Å²	64	11%	0.113	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-45.6	177.8	-70.2	164.6	0	0	0	110.6	Y35 R36 Q41 I42 Q43 F60	Y35-I39 WeakPolarHBondContact O-CG1 3.44Å; Y35-I39 PolarHBondContact O-N 2.99Å; R36-I39 PolarHBondContact O-N 3.31Å; I39-Q41 PolarHBondContact O-N 2.7Å; I39-I42 PolarHBondContact O-N 3.01Å; I39-Q43 WeakPolarHBondContact O-CG 3.49Å; I39-Q43 PolarHBondContact O-N 3.48Å; I39-F60 HydrophobicContact CG2-CD2 3.84Å; I39-F60 HydrophobicContact CG2-CE2 3.46Å; I39-F60 VanDerWaalsContact CG2-CE2 3.46Å; I39-F60 HydrophobicContact CG2-CZ 4.34Å
40	L	86.1	Confident	84.9	Confident	99 Å²	99	68 Å²	68	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-62.2	-41.4	174.9	-69.1	166.7	0	0	0	112.3	R36 A37 I42 Q43 Y44	R36-L40 WeakPolarHBondContact O-CG 3.31Å; R36-L40 PolarHBondContact O-N 3.17Å; A37-L40 PolarHBondContact O-N 2.85Å; L40-I42 VanDerWaalsContact C-N 3.31Å; L40-I42 PolarHBondContact O-N 3.29Å; L40-Q43 PolarHBondContact O-N 3.13Å; L40-Y44 PolarHBondContact O-N 2.84Å
41	Q	84.7	Confident	85.3	Confident	44 Å²	44	64.6 Å²	64.6	21%	0.206	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-36.9	176.2	-167.6	177.8	30.4	0	0	112.2	H10 A37 K38 I39 A45	H10-Q41 PolarHBondContact CD2-NE2 2.98Å; H10-Q41 VanDerWaalsContact CD2-NE2 3.33Å; H10-Q41 PolarHBondContact NE2-NE2 3.35Å; A37-Q41 WeakPolarHBondContact O-CB 3.31Å; A37-Q41 PolarHBondContact O-N 2.94Å; K38-Q41 PolarHBondContact O-N 3.25Å; I39-Q41 PolarHBondContact O-N 2.7Å; Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.57Å
42	I	86.4	Confident	85.6	Confident	15 Å²	15	65.8 Å²	65.8	8%	0.077	35%	0.35	C	S	.	.	H	α-helix	trans	-69	-41.7	175.3	-68.3	156.7	0	0	0	111.1	K38 I39 L40 A45 W46 I51 A56 L59 Y63	K38-I42 WeakPolarHBondContact O-CD1 3.34Å; K38-I42 VanDerWaalsContact O-CG1 3.28Å; K38-I42 WeakPolarHBondContact O-CG1 3.45Å; K38-I42 PolarHBondContact O-N 3.37Å; I39-I42 PolarHBondContact O-N 3.01Å; L40-I42 VanDerWaalsContact C-N 3.31Å; L40-I42 PolarHBondContact O-N 3.29Å; I42-A45 PolarHBondContact O-N 3.36Å; I42-W46 WeakPolarHBondContact O-CB 3.48Å; I42-W46 PolarHBondContact O-N 3.45Å; I42-I51 HydrophobicContact CG2-CD1 3.99Å; I42-A56 HydrophobicContact CG2-CB 4.47Å; I42-L59 HydrophobicContact CD1-CB 3.84Å; I42-L59 HydrophobicContact CG1-CB 4.33Å; I42-L59 HydrophobicContact CG2-CB 4.3Å; I42-Y63 HydrophobicContact CD1-CD2 3.52Å; I42-Y63 HydrophobicContact CD1-CE2 4.01Å; I42-Y63 HydrophobicContact CD1-CG 4.49Å
43	Q	86.3	Confident	85.9	Confident	89 Å²	89	72.2 Å²	72.2	42%	0.416	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-42.7	176.3	-72.9	175.1	-34.6	0	0	111.8	I39 L40 W46 A47 F60	I39-Q43 WeakPolarHBondContact O-CG 3.49Å; I39-Q43 PolarHBondContact O-N 3.48Å; L40-Q43 PolarHBondContact O-N 3.13Å; Q43-W46 PolarHBondContact O-N 2.93Å; Q43-A47 WeakPolarHBondContact O-CB 3.3Å; Q43-A47 PolarHBondContact O-N 2.83Å; Q43-F60 HydrophobicContact CG-CE2 4.44Å
44	Y	87.3	Confident	86.3	Confident	143 Å²	143	72.5 Å²	72.5	56%	0.561	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-47.5	175.6	-177.9	-99.4	0	0	0	112.2	L40 W46 A47 N48	L40-Y44 PolarHBondContact O-N 2.84Å; Y44-W46 VanDerWaalsContact C-N 3.3Å; Y44-W46 PolarHBondContact O-N 2.91Å; Y44-A47 PolarHBondContact O-N 2.97Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.38Å; Y44-N48 VanDerWaalsContact CZ-ND2 3.28Å; Y44-N48 PolarHBondContact O-N 3.18Å; Y44-N48 PolarHBondContact OH-ND2 3.06Å
45	A	83.6	Confident	86.5	Confident	10 Å²	10	74.3 Å²	74.3	8%	0.083	39%	0.394	C	S	.	.	H	α-helix	trans	-62	-35.5	176.6	0	0	0	0	0	112.7	Q41 I42 S49 E50 I51	Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.57Å; I42-A45 PolarHBondContact O-N 3.36Å; A45-S49 PolarHBondContact O-N 3.39Å; A45-E50 HydrophobicContact CB-CB 4.21Å; A45-E50 WeakPolarHBondContact O-CB 3.41Å; A45-E50 PolarHBondContact O-N 3.06Å; A45-I51 HydrophobicContact CB-CD1 4.05Å; A45-I51 HydrophobicContact CB-CG1 4.08Å; A45-I51 HydrophobicContact CB-CG2 4.5Å
46	W	87.5	Confident	86.6	Confident	130 Å²	130	73.4 Å²	73.4	49%	0.492	39%	0.391	S	S	.	.	H	α-helix	trans	-69.7	-43.1	174.7	178.7	49.3	0	0	0	112.1	I42 Q43 Y44 N48 S49 I51 Q53 A56	I42-W46 WeakPolarHBondContact O-CB 3.48Å; I42-W46 PolarHBondContact O-N 3.45Å; Q43-W46 PolarHBondContact O-N 2.93Å; Y44-W46 VanDerWaalsContact C-N 3.3Å; Y44-W46 PolarHBondContact O-N 2.91Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 3.04Å; W46-S49 PolarHBondContact O-N 3.42Å; W46-I51 HydrophobicContact CB-CD1 4.28Å; W46-I51 HydrophobicContact CB-CG1 4.1Å; W46-Q53 HydrophobicContact CZ2-CG 4.37Å; W46-A56 HydrophobicContact CB-CB 3.95Å; W46-A56 HydrophobicContact CG-CB 3.88Å
47	A	86.8	Confident	86.6	Confident	76 Å²	76	69.5 Å²	69.5	63%	0.628	39%	0.389	S	S	*	.	H	α-helix	trans	-60.4	-38	175.9	0	0	0	0	0	112.5	Q43 Y44 S49	Q43-A47 WeakPolarHBondContact O-CB 3.3Å; Q43-A47 PolarHBondContact O-N 2.83Å; Y44-A47 PolarHBondContact O-N 2.97Å; A47-S49 PolarHBondContact O-N 2.95Å
48	N	88.1	Confident	87	Confident	74 Å²	74	71.6 Å²	71.6	40%	0.396	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.3	174.6	-69.5	-5.7	0	0	0	114.2	Y44 W46 E50	Y44-N48 WeakPolarHBondContact CE1-ND2 3.38Å; Y44-N48 VanDerWaalsContact CZ-ND2 3.28Å; Y44-N48 PolarHBondContact O-N 3.18Å; Y44-N48 PolarHBondContact OH-ND2 3.06Å; W46-N48 VanDerWaalsContact C-N 3.29Å; W46-N48 PolarHBondContact O-N 3.04Å; N48-E50 HydrophobicContact CB-CG 3.83Å; N48-E50 WeakPolarHBondContact CB-OE1 3.32Å; N48-E50 PolarHBondContact ND2-OE1 2.84Å; N48-E50 PolarHBondContact O-N 3.3Å
49	S	86.4	Confident	87.2	Confident	106 Å²	106	74.1 Å²	74.1	74%	0.741	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	21.6	-172.7	-54.7	0	0	0	0	115	A45 W46 A47 I51	A45-S49 PolarHBondContact O-N 3.39Å; W46-S49 PolarHBondContact O-N 3.42Å; A47-S49 PolarHBondContact O-N 2.95Å; S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.25Å
50	E	83.3	Confident	87.2	Confident	107 Å²	107	77.2 Å²	77.2	50%	0.5	42%	0.419	S	S	.	.	S	Bend	trans	-70.6	-21.9	175.2	-64.3	171.2	-143.4	0	0	112.2	A45 N48	A45-E50 HydrophobicContact CB-CB 4.21Å; A45-E50 WeakPolarHBondContact O-CB 3.41Å; A45-E50 PolarHBondContact O-N 3.06Å; N48-E50 HydrophobicContact CB-CG 3.83Å; N48-E50 WeakPolarHBondContact CB-OE1 3.32Å; N48-E50 PolarHBondContact ND2-OE1 2.84Å; N48-E50 PolarHBondContact O-N 3.3Å
51	I	86.9	Confident	87.4	Confident	42 Å²	42	78.3 Å²	78.3	22%	0.215	42%	0.419	C	S	.	.	S	Bend	trans	-133.4	144.5	177.5	58.9	174.8	0	0	0	111.6	I42 A45 W46 S49 A56	I42-I51 HydrophobicContact CG2-CD1 3.99Å; A45-I51 HydrophobicContact CB-CD1 4.05Å; A45-I51 HydrophobicContact CB-CG1 4.08Å; A45-I51 HydrophobicContact CB-CG2 4.5Å; W46-I51 HydrophobicContact CB-CD1 4.28Å; W46-I51 HydrophobicContact CB-CG1 4.1Å; S49-I51 VanDerWaalsContact C-N 3.25Å; S49-I51 PolarHBondContact O-N 3.25Å; I51-A56 HydrophobicContact CD1-CB 3.74Å; I51-A56 HydrophobicContact CG1-CB 4.17Å
52	S	89.4	Confident	87.7	Confident	78 Å²	78	81.9 Å²	81.9	55%	0.545	43%	0.434	S	S	.	.			trans	-69.3	150	177	69.6	0	0	0	0	111.9	V54 C55 A56	S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 3.08Å; S52-C55 WeakPolarHBondContact O-CA 3.46Å; S52-C55 WeakPolarHBondContact O-CB 3.41Å; S52-C55 PolarHBondContact O-N 2.86Å; S52-C55 WeakPolarHBondContact OG-CB 3.1Å; S52-C55 PolarHBondContact OG-N 3.04Å; S52-A56 PolarHBondContact O-N 2.91Å
53	Q	87.4	Confident	87.8	Confident	139 Å²	139	81.9 Å²	81.9	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-54.9	-38.3	-177.9	-171.9	-179.1	6.2	0	0	113.2	W46 A56 A57	W46-Q53 HydrophobicContact CZ2-CG 4.37Å; Q53-A56 PolarHBondContact O-N 3.17Å; Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 3.08Å
54	V	89.6	Confident	87.9	Confident	105 Å²	105	79.1 Å²	79.1	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-69	-35.4	177	-176.8	0	0	0	0	111.7	S52 N58	S52-V54 VanDerWaalsContact C-N 3.26Å; S52-V54 PolarHBondContact O-N 3.08Å; V54-N58 PolarHBondContact O-N 3.45Å; V54-N58 PolarHBondContact O-ND2 3.33Å
55	C	86.4	Confident	88	Confident	54 Å²	54	77 Å²	77	37%	0.365	42%	0.421	S	S	.	.	H	α-helix	trans	-69	-46.9	173.5	-171.1	0	0	0	0	110.8	S52 A57 N58 L59	S52-C55 WeakPolarHBondContact O-CA 3.46Å; S52-C55 WeakPolarHBondContact O-CB 3.41Å; S52-C55 PolarHBondContact O-N 2.86Å; S52-C55 WeakPolarHBondContact OG-CB 3.1Å; S52-C55 PolarHBondContact OG-N 3.04Å; C55-A57 PolarHBondContact O-N 2.95Å; C55-N58 PolarHBondContact O-N 3.33Å; C55-L59 WeakPolarHBondContact O-CB 3.45Å; C55-L59 WeakPolarHBondContact O-CG 3.22Å; C55-L59 PolarHBondContact O-N 3.19Å
56	A	88.6	Confident	88.1	Confident	7 Å²	7	80.5 Å²	80.5	6%	0.058	43%	0.434	C	S	.	.	H	α-helix	trans	-57.1	-47.5	177.1	0	0	0	0	0	112	I42 W46 I51 S52 Q53 L59 F60	I42-A56 HydrophobicContact CG2-CB 4.47Å; W46-A56 HydrophobicContact CB-CB 3.95Å; W46-A56 HydrophobicContact CG-CB 3.88Å; I51-A56 HydrophobicContact CD1-CB 3.74Å; I51-A56 HydrophobicContact CG1-CB 4.17Å; S52-A56 PolarHBondContact O-N 2.91Å; Q53-A56 PolarHBondContact O-N 3.17Å; A56-L59 PolarHBondContact O-N 3.34Å; A56-F60 WeakPolarHBondContact O-CB 3.42Å; A56-F60 PolarHBondContact O-N 3.28Å
57	A	87.6	Confident	88	Confident	58 Å²	58	77.7 Å²	77.7	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-61.4	-45.3	178.6	0	0	0	0	0	112.8	Q53 C55 F60 K61	Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 3.08Å; C55-A57 PolarHBondContact O-N 2.95Å; A57-F60 PolarHBondContact O-N 3.01Å; A57-K61 WeakPolarHBondContact O-CB 3.42Å; A57-K61 PolarHBondContact O-N 2.98Å
58	N	90.8	Very high	87.9	Confident	103 Å²	103	76.2 Å²	76.2	55%	0.551	41%	0.409	S	S	*	.	H	α-helix	trans	-66.3	-39.5	178.3	-78.3	-46.1	0	0	0	112.6	V54 C55 K62	V54-N58 PolarHBondContact O-N 3.45Å; V54-N58 PolarHBondContact O-ND2 3.33Å; C55-N58 PolarHBondContact O-N 3.33Å; N58-K62 WeakPolarHBondContact O-CB 3.17Å; N58-K62 PolarHBondContact O-N 3.38Å; N58-K62 VanDerWaalsContact O-N 3.14Å
59	L	88.6	Confident	87.6	Confident	56 Å²	56	76 Å²	76	29%	0.293	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-44.6	175.4	-70	172.7	0	0	0	111.6	I42 C55 A56 K62 Y63	I42-L59 HydrophobicContact CD1-CB 3.84Å; I42-L59 HydrophobicContact CG1-CB 4.33Å; I42-L59 HydrophobicContact CG2-CB 4.3Å; C55-L59 WeakPolarHBondContact O-CB 3.45Å; C55-L59 WeakPolarHBondContact O-CG 3.22Å; C55-L59 PolarHBondContact O-N 3.19Å; A56-L59 PolarHBondContact O-N 3.34Å; L59-K62 PolarHBondContact O-N 2.97Å; L59-Y63 HydrophobicContact CD2-CE2 4.39Å; L59-Y63 VanDerWaalsContact O-CD2 3.24Å; L59-Y63 WeakPolarHBondContact O-CD2 3.47Å; L59-Y63 PolarHBondContact O-N 3.43Å
60	F	89.6	Confident	87.4	Confident	87 Å²	87	72 Å²	72	38%	0.382	39%	0.387	S	S	.	.	H	α-helix	trans	-58.2	-50.3	177.4	-174.7	-85.8	0	0	0	110.9	I39 Q43 A56 A57 K62 Y63 A64	I39-F60 HydrophobicContact CG2-CD2 3.84Å; I39-F60 HydrophobicContact CG2-CE2 3.46Å; I39-F60 VanDerWaalsContact CG2-CE2 3.46Å; I39-F60 HydrophobicContact CG2-CZ 4.34Å; Q43-F60 HydrophobicContact CG-CE2 4.44Å; A56-F60 WeakPolarHBondContact O-CB 3.42Å; A56-F60 PolarHBondContact O-N 3.28Å; A57-F60 PolarHBondContact O-N 3.01Å; F60-K62 PolarHBondContact O-N 3.43Å; F60-Y63 PolarHBondContact O-N 3.36Å; F60-A64 HydrophobicContact CE1-CB 4.43Å; F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.5Å; F60-A64 PolarHBondContact O-N 3.22Å
61	K	90.8	Very high	87.2	Confident	122 Å²	122	69 Å²	69	53%	0.53	38%	0.375	S	S	.	.	H	α-helix	trans	-54	-54.2	175.1	178.1	172.6	175.9	176	0	111.5	A57 Y63 A64 E65	A57-K61 WeakPolarHBondContact O-CB 3.42Å; A57-K61 PolarHBondContact O-N 2.98Å; K61-Y63 VanDerWaalsContact C-N 3.28Å; K61-Y63 PolarHBondContact O-N 2.87Å; K61-A64 PolarHBondContact O-N 3.42Å; K61-E65 WeakPolarHBondContact CE-OE1 3.32Å; K61-E65 HydrophobicContact CG-CG 4.32Å; K61-E65 IonicContact NZ-OE1 3.15Å; K61-E65 VanDerWaalsContact O-CG 3.31Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.17Å
62	K	90.1	Very high	86.6	Confident	119 Å²	119	71.7 Å²	71.7	52%	0.517	39%	0.389	S	S	.	.	H	α-helix	trans	-59.3	-33.1	-177.6	-178.9	174.3	-178.5	175	0	113.9	N58 L59 F60 K66	N58-K62 WeakPolarHBondContact O-CB 3.17Å; N58-K62 PolarHBondContact O-N 3.38Å; N58-K62 VanDerWaalsContact O-N 3.14Å; L59-K62 PolarHBondContact O-N 2.97Å; F60-K62 PolarHBondContact O-N 3.43Å; K62-K66 WeakPolarHBondContact O-CD 3.45Å; K62-K66 WeakPolarHBondContact O-CG 3.27Å
63	Y	88.8	Confident	85.9	Confident	14 Å²	14	69.3 Å²	69.3	6%	0.055	37%	0.372	C	S	.	.	H	α-helix	trans	-89.1	-28.7	177.2	-73	-65.3	0	0	0	113.4	Y35 K38 I42 L59 F60 K61 K66 Y67	Y35-Y63 AromaticContact CD1-CD1 3.61Å; Y35-Y63 HydrophobicContact CD1-CD1 3.61Å; Y35-Y63 HydrophobicContact CD1-CE1 4.13Å; Y35-Y63 AromaticContact CE1-CD1 3.89Å; Y35-Y63 HydrophobicContact CE1-CD1 3.89Å; Y35-Y63 HydrophobicContact CE1-CE1 4.1Å; K38-Y63 HydrophobicContact CB-CG 4.48Å; I42-Y63 HydrophobicContact CD1-CD2 3.52Å; I42-Y63 HydrophobicContact CD1-CE2 4.01Å; I42-Y63 HydrophobicContact CD1-CG 4.49Å; L59-Y63 HydrophobicContact CD2-CE2 4.39Å; L59-Y63 VanDerWaalsContact O-CD2 3.24Å; L59-Y63 WeakPolarHBondContact O-CD2 3.47Å; L59-Y63 PolarHBondContact O-N 3.43Å; F60-Y63 PolarHBondContact O-N 3.36Å; K61-Y63 VanDerWaalsContact C-N 3.28Å; K61-Y63 PolarHBondContact O-N 2.87Å; Y63-K66 HydrophobicContact CD1-CD 4.34Å; Y63-K66 PolarHBondContact O-N 2.91Å; Y63-Y67 WeakPolarHBondContact O-CB 3.27Å; Y63-Y67 PolarHBondContact O-N 2.95Å
64	A	88.2	Confident	84.7	Confident	32 Å²	32	69.1 Å²	69.1	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-47.1	170.9	0	0	0	0	0	111.3	F60 K61 K66 Y67 S68	F60-A64 HydrophobicContact CE1-CB 4.43Å; F60-A64 VanDerWaalsContact O-CB 3.25Å; F60-A64 WeakPolarHBondContact O-CB 3.5Å; F60-A64 PolarHBondContact O-N 3.22Å; K61-A64 PolarHBondContact O-N 3.42Å; A64-K66 PolarHBondContact O-N 2.92Å; A64-Y67 WeakPolarHBondContact O-CB 3.34Å; A64-Y67 PolarHBondContact O-N 3.33Å; A64-S68 PolarHBondContact O-N 2.99Å; A64-S68 PolarHBondContact O-OG 2.89Å
65	E	89.3	Confident	83.6	Confident	99 Å²	99	69.2 Å²	69.2	46%	0.463	37%	0.373	S	S	.	.	H	α-helix	trans	-58.2	-35.7	175.2	-70.4	168.2	155	0	0	112.4	K61 S68 A69	K61-E65 WeakPolarHBondContact CE-OE1 3.32Å; K61-E65 HydrophobicContact CG-CG 4.32Å; K61-E65 IonicContact NZ-OE1 3.15Å; K61-E65 VanDerWaalsContact O-CG 3.31Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.17Å; E65-S68 WeakPolarHBondContact CA-OG 3.44Å; E65-S68 PolarHBondContact O-OG 2.96Å; E65-S68 VanDerWaalsContact O-OG 3.11Å; E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.31Å; E65-A69 VanDerWaalsContact O-N 3.12Å
66	K	85.8	Confident	82.3	Confident	82 Å²	82	72.8 Å²	72.8	36%	0.357	39%	0.387	S	S	.	.	H	α-helix	trans	-75.8	-24.2	175.5	-85	170.6	159.4	-90.9	0	113.9	Y35 K62 Y63 A64	Y35-K66 HydrophobicContact CD1-CB 4.33Å; Y35-K66 HydrophobicContact CD2-CB 4.17Å; Y35-K66 HydrophobicContact CE1-CB 3.98Å; Y35-K66 HydrophobicContact CE1-CD 3.89Å; Y35-K66 HydrophobicContact CE1-CG 4.45Å; Y35-K66 HydrophobicContact CE2-CB 3.83Å; Y35-K66 WeakPolarHBondContact CE2-O 2.97Å; Y35-K66 HydrophobicContact CG-CB 4.41Å; Y35-K66 PolarHBondContact OH-NZ 3.43Å; K62-K66 WeakPolarHBondContact O-CD 3.45Å; K62-K66 WeakPolarHBondContact O-CG 3.27Å; Y63-K66 HydrophobicContact CD1-CD 4.34Å; Y63-K66 PolarHBondContact O-N 2.91Å; A64-K66 PolarHBondContact O-N 2.92Å
67	Y	86.6	Confident	81	Confident	72 Å²	72	81 Å²	81	28%	0.282	43%	0.425	S	S	.	.	H	α-helix	trans	-81.4	-48.2	175.8	176.9	-93.4	0	0	0	110.5	A32 R36 Y63 A64 A69 I70 I71	A32-Y67 HydrophobicContact CB-CD2 4.22Å; A32-Y67 HydrophobicContact CB-CE2 3.98Å; A32-Y67 WeakPolarHBondContact O-CD2 3.31Å; A32-Y67 WeakPolarHBondContact O-CE2 3.38Å; R36-Y67 HydrophobicContact CB-CD2 4.47Å; R36-Y67 HydrophobicContact CB-CE2 4.1Å; Y63-Y67 WeakPolarHBondContact O-CB 3.27Å; Y63-Y67 PolarHBondContact O-N 2.95Å; A64-Y67 WeakPolarHBondContact O-CB 3.34Å; A64-Y67 PolarHBondContact O-N 3.33Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 3.26Å; Y67-I70 PolarHBondContact O-N 3.04Å; Y67-I71 HydrophobicContact CD1-CG1 3.96Å; Y67-I71 HydrophobicContact CE1-CD1 4.3Å; Y67-I71 HydrophobicContact CE1-CG1 3.53Å; Y67-I71 HydrophobicContact CE2-CD1 4.28Å; Y67-I71 HydrophobicContact CE2-CG1 4.2Å; Y67-I71 HydrophobicContact CG-CG1 4.45Å; Y67-I71 PolarHBondContact O-N 3.36Å
68	S	83.1	Confident	79.8	Confident	45 Å²	45	81.9 Å²	81.9	32%	0.315	42%	0.424	S	S	.	.	H	α-helix	trans	-59.3	-42.3	174.5	59.3	0	0	0	0	111.6	A64 E65 I70 I71 D72	A64-S68 PolarHBondContact O-N 2.99Å; A64-S68 PolarHBondContact O-OG 2.89Å; E65-S68 WeakPolarHBondContact CA-OG 3.44Å; E65-S68 PolarHBondContact O-OG 2.96Å; E65-S68 VanDerWaalsContact O-OG 3.11Å; S68-I70 PolarHBondContact O-N 3.19Å; S68-I71 PolarHBondContact O-N 3.33Å; S68-I71 VanDerWaalsContact O-N 3.14Å; S68-D72 WeakPolarHBondContact CA-OD2 3.48Å; S68-D72 VanDerWaalsContact CB-OD2 3.23Å; S68-D72 WeakPolarHBondContact CB-OD2 3.32Å; S68-D72 WeakPolarHBondContact O-CB 3.33Å; S68-D72 PolarHBondContact O-N 3.05Å
69	A	82.8	Confident	78.7	Confident	68 Å²	68	77.3 Å²	77.3	56%	0.562	40%	0.401	S	S	*	.	H	α-helix	trans	-61.8	-7.3	174.8	0	0	0	0	0	115.4	E65 Y67	E65-A69 WeakPolarHBondContact O-CB 3.48Å; E65-A69 PolarHBondContact O-N 3.31Å; E65-A69 VanDerWaalsContact O-N 3.12Å; Y67-A69 VanDerWaalsContact C-N 3.33Å; Y67-A69 PolarHBondContact O-N 3.26Å
70	I	81	Confident	77.8	Confident	22 Å²	22	78.3 Å²	78.3	11%	0.113	41%	0.406	C	S	.	.	H	α-helix	trans	-107	-41.3	170.1	-66.3	-177.3	0	0	0	111	P28 K31 A32 Y35 Y67 S68 G79 L80	P28-I70 HydrophobicContact CB-CG2 4.24Å; K31-I70 HydrophobicContact CB-CD1 3.64Å; K31-I70 HydrophobicContact CD-CD1 4.46Å; A32-I70 HydrophobicContact CB-CG2 4.16Å; Y35-I70 HydrophobicContact CD2-CD1 4.09Å; Y35-I70 HydrophobicContact CE2-CD1 3.74Å; Y67-I70 PolarHBondContact O-N 3.04Å; S68-I70 PolarHBondContact O-N 3.19Å; I70-G79 CarbonylContact O-C 3.6Å; I70-G79 WeakPolarHBondContact O-CA 3.29Å; I70-L80 HydrophobicContact CG2-CD1 3.48Å; I70-L80 VanDerWaalsContact CG2-CD1 3.48Å; I70-L80 PolarHBondContact O-N 3.25Å
71	I	79	Confident	76.6	Confident	46 Å²	46	76.9 Å²	76.9	24%	0.236	40%	0.403	C	S	.	.	H	α-helix	trans	-64.8	-45.3	177.7	-62.8	-58	0	0	0	111.5	A32 Y67 S68 S73 L80 N81	A32-I71 HydrophobicContact CB-CD1 4.17Å; Y67-I71 HydrophobicContact CD1-CG1 3.96Å; Y67-I71 HydrophobicContact CE1-CD1 4.3Å; Y67-I71 HydrophobicContact CE1-CG1 3.53Å; Y67-I71 HydrophobicContact CE2-CD1 4.28Å; Y67-I71 HydrophobicContact CE2-CG1 4.2Å; Y67-I71 HydrophobicContact CG-CG1 4.45Å; Y67-I71 PolarHBondContact O-N 3.36Å; S68-I71 PolarHBondContact O-N 3.33Å; S68-I71 VanDerWaalsContact O-N 3.14Å; I71-S73 PolarHBondContact O-N 2.76Å; I71-L80 HydrophobicContact CD1-CB 4.33Å; I71-L80 HydrophobicContact CD1-CD1 4.38Å; I71-L80 HydrophobicContact CD1-CD2 4.37Å; I71-N81 VanDerWaalsContact O-CB 3.29Å; I71-N81 WeakPolarHBondContact O-CB 3.5Å; I71-N81 PolarHBondContact O-N 2.83Å
72	D	75.3	Confident	75	Confident	97 Å²	97	74.1 Å²	74.1	52%	0.519	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	14.6	-170.7	-48.1	-49.1	0	0	0	113	S68	S68-D72 WeakPolarHBondContact CA-OD2 3.48Å; S68-D72 VanDerWaalsContact CB-OD2 3.23Å; S68-D72 WeakPolarHBondContact CB-OD2 3.32Å; S68-D72 WeakPolarHBondContact O-CB 3.33Å; S68-D72 PolarHBondContact O-N 3.05Å
73	S	74.1	Confident	73.2	Confident	28 Å²	28	76.9 Å²	76.9	20%	0.196	40%	0.402	C	S	.	.			trans	-88	123.2	-179.8	-178.9	0	0	0	0	111.6	I71 N75	I71-S73 PolarHBondContact O-N 2.76Å; S73-N75 PolarHBondContact O-N 3.32Å
74	D	62.4	Low	71.3	Confident	135 Å²	135	79.2 Å²	79.2	72%	0.722	42%	0.424	S	S	*	.			trans	-74.4	-4.2	178.8	-52.1	-47.1	0	0	0	114	I76	D74-I76 PolarHBondContact O-N 3.26Å
75	N	66	Low	69.5	Low	108 Å²	108	82.8 Å²	82.8	58%	0.578	44%	0.435	S	S	*	.			trans	-82.8	113.4	179.6	-81.6	-23.6	0	0	0	110.8	S73 E77 T78 G79	S73-N75 PolarHBondContact O-N 3.32Å; N75-E77 PolarHBondContact O-N 3.01Å; N75-T78 WeakPolarHBondContact CB-OG1 3.21Å; N75-T78 PolarHBondContact O-N 3.42Å; N75-G79 PolarHBondContact O-N 2.82Å
76	I	60.5	Low	67.7	Low	129 Å²	129	83.8 Å²	83.8	66%	0.662	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33	-175.6	-57.4	171.6	0	0	0	113.4	D74	D74-I76 PolarHBondContact O-N 3.26Å
77	E	60.3	Low	66	Low	180 Å²	180	85 Å²	85	84%	0.841	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-20.3	-179.9	-61.5	-170.5	160.9	0	0	114.7	P28 N75	P28-E77 WeakPolarHBondContact CG-O 3.3Å; N75-E77 PolarHBondContact O-N 3.01Å
78	T	63.2	Low	64.1	Low	75 Å²	75	85.9 Å²	85.9	46%	0.46	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-19.7	-170.8	60.9	0	0	0	0	114.9	N75	N75-T78 WeakPolarHBondContact CB-OG1 3.21Å; N75-T78 PolarHBondContact O-N 3.42Å
79	G	67.2	Low	62.6	Low	7 Å²	7	87.2 Å²	87.2	7%	0.072	47%	0.468	C	S	.	.			trans	-104	178.8	-177.7	0	0	0	0	0	115.1	I70 N75	I70-G79 CarbonylContact O-C 3.6Å; I70-G79 WeakPolarHBondContact O-CA 3.29Å; N75-G79 PolarHBondContact O-N 2.82Å
80	L	69.3	Low	61.1	Low	77 Å²	77	90.2 Å²	90.2	40%	0.403	47%	0.474	S	S	.	.			trans	-112.2	-0.3	166.1	-81.9	90.5	0	0	0	113.6	P28 A32 I70 I71 N82	P28-L80 HydrophobicContact CB-CD1 3.77Å; A32-L80 HydrophobicContact CB-CD1 4.21Å; I70-L80 HydrophobicContact CG2-CD1 3.48Å; I70-L80 VanDerWaalsContact CG2-CD1 3.48Å; I70-L80 PolarHBondContact O-N 3.25Å; I71-L80 HydrophobicContact CD1-CB 4.33Å; I71-L80 HydrophobicContact CD1-CD1 4.38Å; I71-L80 HydrophobicContact CD1-CD2 4.37Å; L80-N82 PolarHBondContact O-N 3.4Å
81	N	64.3	Low	59.4	Low	58 Å²	58	91.9 Å²	91.9	31%	0.31	49%	0.492	S	S	.	.			trans	-75.6	32.5	-168.7	-146.7	9.6	0	0	0	115.3	I71 Y83	I71-N81 VanDerWaalsContact O-CB 3.29Å; I71-N81 WeakPolarHBondContact O-CB 3.5Å; I71-N81 PolarHBondContact O-N 2.83Å; N81-Y83 PolarHBondContact O-N 3.23Å
82	N	58.2	Low	57.8	Low	64 Å²	64	96.9 Å²	96.9	34%	0.342	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	41.1	-179.5	-77.1	-26.7	0	0	0	113.4	L80 A84	L80-N82 PolarHBondContact O-N 3.4Å; N82-A84 PolarHBondContact O-N 3.07Å
83	Y	52	Low	56.3	Low	177 Å²	177	97.6 Å²	97.6	69%	0.694	52%	0.523	S	S	*	.	H	α-helix	trans	-61.4	-27.1	168.8	-90.3	-86	0	0	0	112.2	N81 I87	N81-Y83 PolarHBondContact O-N 3.23Å; Y83-I87 WeakPolarHBondContact O-CD1 3.24Å; Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.45Å
84	A	49.4	Very low	55	Low	62 Å²	62	104 Å²	104	51%	0.512	55%	0.55	S	S	.	.	H	α-helix	trans	-66.3	-51.7	177.4	0	0	0	0	0	113.2	N82 N86 I87 L88	N82-A84 PolarHBondContact O-N 3.07Å; A84-N86 PolarHBondContact O-N 3.28Å; A84-I87 PolarHBondContact O-N 2.87Å; A84-L88 HydrophobicContact CB-CD1 4.45Å; A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 3.22Å
85	E	50.3	Low	54.1	Low	108 Å²	108	105.9 Å²	105.9	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-60.6	-48.3	-172.6	-88	-77.5	104.1	0	0	113.2	I87 L88 T89	E85-I87 PolarHBondContact O-N 3.37Å; E85-L88 PolarHBondContact O-N 3.31Å; E85-T89 VanDerWaalsContact O-CB 3.31Å; E85-T89 WeakPolarHBondContact O-CB 3.37Å; E85-T89 PolarHBondContact O-N 3.21Å; E85-T89 PolarHBondContact O-OG1 3.41Å
86	N	50.4	Low	53.1	Low	120 Å²	120	106.3 Å²	106.3	64%	0.642	56%	0.556	S	S	*	*	H	α-helix	trans	-67	-38.1	-179.3	-81.5	-25.8	0	0	0	112.1	A84 T89 L90	A84-N86 PolarHBondContact O-N 3.28Å; N86-T89 PolarHBondContact O-N 3.44Å; N86-L90 WeakPolarHBondContact O-CG 3.46Å; N86-L90 PolarHBondContact O-N 2.92Å
87	I	50.8	Low	52.4	Low	107 Å²	107	107.9 Å²	107.9	55%	0.549	57%	0.566	S	S	.	*	H	α-helix	trans	-71.2	-42.2	177.7	-64.5	176.3	0	0	0	110.6	Y83 A84 E85 T89 L90 A91	Y83-I87 WeakPolarHBondContact O-CD1 3.24Å; Y83-I87 VanDerWaalsContact O-CG1 3.29Å; Y83-I87 WeakPolarHBondContact O-CG1 3.45Å; A84-I87 PolarHBondContact O-N 2.87Å; E85-I87 PolarHBondContact O-N 3.37Å; I87-T89 VanDerWaalsContact C-N 3.29Å; I87-T89 PolarHBondContact O-N 3.05Å; I87-L90 PolarHBondContact O-N 3.13Å; I87-A91 WeakPolarHBondContact O-CB 3.38Å; I87-A91 PolarHBondContact O-N 3.45Å
88	L	47.4	Very low	51.7	Low	91 Å²	91	102 Å²	102	48%	0.476	54%	0.544	S	S	.	.	H	α-helix	trans	-63.5	-33.7	174.2	-80.6	164.2	0	0	0	112.6	A84 E85 K92	A84-L88 HydrophobicContact CB-CD1 4.45Å; A84-L88 VanDerWaalsContact O-CB 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.44Å; A84-L88 WeakPolarHBondContact O-CG 3.46Å; A84-L88 PolarHBondContact O-N 3.22Å; E85-L88 PolarHBondContact O-N 3.31Å; L88-K92 WeakPolarHBondContact O-CB 3.33Å; L88-K92 VanDerWaalsContact O-CG 3.24Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 3.47Å
89	T	52	Low	51.1	Low	72 Å²	72	106.7 Å²	106.7	44%	0.442	57%	0.567	S	S	.	*	H	α-helix	trans	-72.5	-40.5	177.7	-58.8	0	0	0	0	111.7	E85 N86 I87	E85-T89 VanDerWaalsContact O-CB 3.31Å; E85-T89 WeakPolarHBondContact O-CB 3.37Å; E85-T89 PolarHBondContact O-N 3.21Å; E85-T89 PolarHBondContact O-OG1 3.41Å; N86-T89 PolarHBondContact O-N 3.44Å; I87-T89 VanDerWaalsContact C-N 3.29Å; I87-T89 PolarHBondContact O-N 3.05Å
90	L	49.3	Very low	50.3	Low	132 Å²	132	115 Å²	115	69%	0.691	60%	0.601	S	S	*	*	H	α-helix	trans	-63.3	-42.9	171.1	-71.6	168	0	0	0	111.6	N86 I87 C93	N86-L90 WeakPolarHBondContact O-CG 3.46Å; N86-L90 PolarHBondContact O-N 2.92Å; I87-L90 PolarHBondContact O-N 3.13Å; L90-C93 PolarHBondContact O-N 3.36Å
91	A	45.8	Very low	49	Very low	57 Å²	57	121 Å²	121	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-66.6	-37.1	178.1	0	0	0	0	0	113.3	I87 C93 Q94	I87-A91 WeakPolarHBondContact O-CB 3.38Å; I87-A91 PolarHBondContact O-N 3.45Å; A91-C93 PolarHBondContact O-N 3.02Å; A91-Q94 CarbonylContact O-C 3.43Å; A91-Q94 PolarHBondContact O-N 2.67Å
92	K	45.5	Very low	48.4	Very low	151 Å²	151	126.8 Å²	126.8	66%	0.657	64%	0.644	S	S	*	*	H	α-helix	trans	-61.1	-23	175.4	-82.3	169.3	-178.5	170.4	0	113.6	L88 Q94	L88-K92 WeakPolarHBondContact O-CB 3.33Å; L88-K92 VanDerWaalsContact O-CG 3.24Å; L88-K92 WeakPolarHBondContact O-CG 3.37Å; L88-K92 PolarHBondContact O-N 3.47Å; K92-Q94 VanDerWaalsContact C-N 3.28Å
93	C	43.9	Very low	48	Very low	112 Å²	112	127.6 Å²	127.6	76%	0.757	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	4.1	174.3	-62.2	0	0	0	0	113.5	L90 A91	L90-C93 PolarHBondContact O-N 3.36Å; A91-C93 PolarHBondContact O-N 3.02Å
94	Q	47.8	Very low	47.9	Very low	162 Å²	162	123 Å²	123	76%	0.757	65%	0.653	S	S	*	*			trans	-129.5	62.8	174.2	-67.4	-169	-13.7	0	0	111.1	A91 K92 N96	A91-Q94 CarbonylContact O-C 3.43Å; A91-Q94 PolarHBondContact O-N 2.67Å; K92-Q94 VanDerWaalsContact C-N 3.28Å; Q94-N96 PolarHBondContact O-N 3.2Å; Q94-N96 VanDerWaalsContact O-N 3.14Å
95	Q	43.2	Very low	47.9	Very low	175 Å²	175	126.2 Å²	126.2	82%	0.818	66%	0.661	S	S	*	*			trans	-63.3	112	152.9	-80.7	-172	-64.9	0	0	107.7
96	N	45.2	Very low	48.7	Very low	117 Å²	117	124 Å²	124	63%	0.626	66%	0.655	S	S	*	*			trans	-97.1	99.2	-178.6	-165.1	18.3	0	0	0	107.7	Q94 S98	Q94-N96 PolarHBondContact O-N 3.2Å; Q94-N96 VanDerWaalsContact O-N 3.14Å; N96-S98 VanDerWaalsContact C-N 3.31Å; N96-S98 PolarHBondContact O-N 3.05Å
97	D	44.7	Very low	49.2	Very low	162 Å²	162	123 Å²	123	87%	0.866	65%	0.653	S	S	*	*			trans	-66.2	83	-175.5	-73.3	-32.5	0	0	0	111.8
98	S	46.7	Very low	49.9	Very low	55 Å²	55	123 Å²	123	39%	0.385	65%	0.654	S	S	.	*			trans	-160.4	94.8	174.8	179.4	0	0	0	0	111.5	N96 K100	N96-S98 VanDerWaalsContact C-N 3.31Å; N96-S98 PolarHBondContact O-N 3.05Å; S98-K100 PolarHBondContact O-N 3.35Å
99	D	50.6	Low	51	Low	175 Å²	175	122.1 Å²	122.1	94%	0.936	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	12.4	174.9	-57.7	-51.8	0	0	0	114.3
100	K	48.9	Very low	51.9	Low	182 Å²	182	121.2 Å²	121.2	79%	0.791	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.9	26.2	-169.6	-64.5	-171.6	179.3	178.7	0	114.4	S98 Q102	S98-K100 PolarHBondContact O-N 3.35Å; K100-Q102 PolarHBondContact O-N 2.91Å
101	W	43	Very low	52.8	Low	201 Å²	201	120.2 Å²	120.2	76%	0.761	64%	0.635	S	S	*	*			trans	-68.1	97.8	167	-96.2	85	0	0	0	111.4
102	Q	50.9	Low	53.9	Low	181 Å²	181	124.5 Å²	124.5	85%	0.846	65%	0.645	S	S	*	*			trans	-93.3	135.3	164.3	-69.1	-174.1	-22	0	0	109.5	K100	K100-Q102 PolarHBondContact O-N 2.91Å
103	S	50.5	Low	55.4	Low	81 Å²	81	121.3 Å²	121.3	57%	0.566	63%	0.634	S	S	*	*			trans	-69.4	134	178.7	-178.6	0	0	0	0	110.9	L105	S103-L105 PolarHBondContact O-N 3.41Å; S103-L105 PolarHBondContact OG-N 3.14Å
104	A	50.1	Low	56.5	Low	79 Å²	79	123.5 Å²	123.5	65%	0.653	63%	0.631	S	S	*	*	S	Bend	trans	-70.1	-7.7	171.9	0	0	0	0	0	113.2	T106 N109	A104-T106 PolarHBondContact O-N 3.03Å; A104-N109 WeakPolarHBondContact O-CB 3.42Å; A104-N109 PolarHBondContact O-ND2 3.35Å
105	L	49.9	Very low	57.5	Low	130 Å²	130	119.7 Å²	119.7	68%	0.681	62%	0.622	S	S	*	*			trans	-93	64.6	172.9	-64.3	171.5	0	0	0	110.6	S103 V110	S103-L105 PolarHBondContact O-N 3.41Å; S103-L105 PolarHBondContact OG-N 3.14Å; L105-V110 HydrophobicContact CD2-CG2 4.11Å
106	T	66.3	Low	59	Low	62 Å²	62	113.2 Å²	113.2	38%	0.38	59%	0.594	S	S	.	*			trans	-71.2	160.3	159.5	56.2	0	0	0	0	109.7	A104 D108 N109 V110	A104-T106 PolarHBondContact O-N 3.03Å; T106-D108 PolarHBondContact O-N 3.4Å; T106-N109 PolarHBondContact O-N 3.4Å; T106-N109 WeakPolarHBondContact OG1-CB 3.49Å; T106-N109 PolarHBondContact OG1-N 3.26Å; T106-N109 PolarHBondContact OG1-ND2 3.49Å; T106-N109 PolarHBondContact OG1-OD1 3.44Å; T106-V110 WeakPolarHBondContact O-CG2 3.39Å; T106-V110 PolarHBondContact O-N 3.03Å
107	T	61.3	Low	60.4	Low	98 Å²	98	112 Å²	112	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-52.4	-40.4	173.5	40.6	0	0	0	0	111.9	V110 F111	T107-V110 WeakPolarHBondContact O-CB 3.35Å; T107-V110 PolarHBondContact O-N 3Å; T107-F111 WeakPolarHBondContact O-CD2 3.45Å; T107-F111 PolarHBondContact O-N 3.28Å
108	D	66.1	Low	61.9	Low	108 Å²	108	109.9 Å²	109.9	58%	0.578	57%	0.569	S	S	*	*	H	α-helix	trans	-74.3	-44	-168.9	-44.8	-24.1	0	0	0	109.8	T106 V110 F111 E112	T106-D108 PolarHBondContact O-N 3.4Å; D108-V110 PolarHBondContact O-N 3.15Å; D108-F111 PolarHBondContact O-N 3.26Å; D108-E112 PolarHBondContact O-N 2.96Å
109	N	69.8	Low	63.1	Low	73 Å²	73	117.4 Å²	117.4	39%	0.39	59%	0.589	S	S	.	*	H	α-helix	trans	-61.6	-30.6	173.1	-66.6	7.4	0	0	0	112.3	A104 T106 F111 E112	A104-N109 WeakPolarHBondContact O-CB 3.42Å; A104-N109 PolarHBondContact O-ND2 3.35Å; T106-N109 PolarHBondContact O-N 3.4Å; T106-N109 WeakPolarHBondContact OG1-CB 3.49Å; T106-N109 PolarHBondContact OG1-N 3.26Å; T106-N109 PolarHBondContact OG1-ND2 3.49Å; T106-N109 PolarHBondContact OG1-OD1 3.44Å; N109-F111 VanDerWaalsContact C-N 3.34Å; N109-E112 PolarHBondContact O-N 3.45Å
110	V	71.5	Confident	64.2	Low	53 Å²	53	113.7 Å²	113.7	32%	0.321	57%	0.568	S	S	.	*	H	α-helix	trans	-70.5	-29.9	175.1	171.8	0	0	0	0	111.8	L105 T106 T107 D108 L113 V116	L105-V110 HydrophobicContact CD2-CG2 4.11Å; T106-V110 WeakPolarHBondContact O-CG2 3.39Å; T106-V110 PolarHBondContact O-N 3.03Å; T107-V110 WeakPolarHBondContact O-CB 3.35Å; T107-V110 PolarHBondContact O-N 3Å; D108-V110 PolarHBondContact O-N 3.15Å; V110-L113 HydrophobicContact CG1-CD1 4.49Å; V110-L113 WeakPolarHBondContact O-CB 3.09Å; V110-L113 PolarHBondContact O-N 2.94Å; V110-V116 WeakPolarHBondContact O-CG2 3.31Å
111	F	66.4	Low	65.2	Low	111 Å²	111	110.7 Å²	110.7	49%	0.487	56%	0.556	S	S	.	*	H	α-helix	trans	-77.5	-17.6	173	-69.5	-64.1	0	0	0	114	T107 D108 N109 L113 V116 Q117 M120	T107-F111 WeakPolarHBondContact O-CD2 3.45Å; T107-F111 PolarHBondContact O-N 3.28Å; D108-F111 PolarHBondContact O-N 3.26Å; N109-F111 VanDerWaalsContact C-N 3.34Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-V116 HydrophobicContact CD1-CG1 4.14Å; F111-Q117 VanDerWaalsContact O-CG 3.3Å; F111-Q117 WeakPolarHBondContact O-CG 3.22Å; F111-Q117 PolarHBondContact O-NE2 2.93Å; F111-M120 HydrophobicContact CD1-CE 4.44Å; F111-M120 HydrophobicContact CD1-SD 3.85Å; F111-M120 HydrophobicContact CE1-CE 4.46Å; F111-M120 HydrophobicContact CE1-SD 4.16Å
112	E	69.1	Low	66.3	Low	147 Å²	147	104.3 Å²	104.3	69%	0.687	55%	0.546	S	S	*	.	H	α-helix	trans	-78.9	-14.9	171.7	-63.6	-160.7	149	0	0	113.6	D108 N109 K114	D108-E112 PolarHBondContact O-N 2.96Å; N109-E112 PolarHBondContact O-N 3.45Å; E112-K114 PolarHBondContact O-N 3.33Å
113	L	77	Confident	66.7	Low	83 Å²	83	97.8 Å²	97.8	44%	0.435	53%	0.528	S	S	.	.	S	Bend	trans	-63.9	122.3	177.3	-64.2	175.2	0	0	0	110.9	V110 F111 C115 V116 Q117	V110-L113 HydrophobicContact CG1-CD1 4.49Å; V110-L113 WeakPolarHBondContact O-CB 3.09Å; V110-L113 PolarHBondContact O-N 2.94Å; F111-L113 VanDerWaalsContact C-N 3.34Å; L113-C115 VanDerWaalsContact C-N 3.29Å; L113-C115 PolarHBondContact O-N 3.36Å; L113-C115 VanDerWaalsContact O-N 3.15Å; L113-V116 HydrophobicContact CB-CB 4.41Å; L113-V116 HydrophobicContact CB-CG2 4.04Å; L113-V116 WeakPolarHBondContact O-CA 3.28Å; L113-V116 WeakPolarHBondContact O-CB 3.41Å; L113-V116 PolarHBondContact O-N 3.37Å; L113-Q117 PolarHBondContact O-N 3.41Å; L113-Q117 VanDerWaalsContact O-N 3.09Å
114	K	68.8	Low	67.1	Low	158 Å²	158	101 Å²	101	69%	0.687	53%	0.531	S	S	*	.	H	α-helix	trans	-47.9	-46.3	-178.6	-79.7	-169.1	173	-173.7	0	113.9	E112 V116 Q117 E118	E112-K114 PolarHBondContact O-N 3.33Å; K114-V116 PolarHBondContact O-N 3.49Å; K114-Q117 PolarHBondContact O-N 2.91Å; K114-Q117 VanDerWaalsContact O-N 3.14Å; K114-E118 WeakPolarHBondContact O-CB 3.29Å; K114-E118 VanDerWaalsContact O-CG 3.23Å; K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.9Å
115	C	67.1	Low	67.2	Low	83 Å²	83	102.9 Å²	102.9	56%	0.561	53%	0.531	S	S	*	.	H	α-helix	trans	-65	-21.4	-179.8	58.5	0	0	0	0	114	L113	L113-C115 VanDerWaalsContact C-N 3.29Å; L113-C115 PolarHBondContact O-N 3.36Å; L113-C115 VanDerWaalsContact O-N 3.15Å
116	V	75.1	Confident	67	Low	39 Å²	39	105.3 Å²	105.3	24%	0.236	54%	0.536	C	S	.	.	H	α-helix	trans	-82.1	-46	171.9	-179.8	0	0	0	0	109.8	V110 F111 L113 K114 E118 R119 M120	V110-V116 WeakPolarHBondContact O-CG2 3.31Å; F111-V116 HydrophobicContact CD1-CG1 4.14Å; L113-V116 HydrophobicContact CB-CB 4.41Å; L113-V116 HydrophobicContact CB-CG2 4.04Å; L113-V116 WeakPolarHBondContact O-CA 3.28Å; L113-V116 WeakPolarHBondContact O-CB 3.41Å; L113-V116 PolarHBondContact O-N 3.37Å; K114-V116 PolarHBondContact O-N 3.49Å; V116-E118 PolarHBondContact O-N 2.86Å; V116-R119 PolarHBondContact O-N 3.38Å; V116-M120 HydrophobicContact CG1-SD 4.11Å; V116-M120 WeakPolarHBondContact O-CG 3.42Å; V116-M120 PolarHBondContact O-N 2.97Å
117	Q	75.2	Confident	66.1	Low	92 Å²	92	110.4 Å²	110.4	43%	0.43	56%	0.556	S	S	.	*	H	α-helix	trans	-59.2	-44.9	174.9	-68.7	-166.9	-7.5	0	0	112.7	F111 L113 K114 R119 M120 Q121	F111-Q117 VanDerWaalsContact O-CG 3.3Å; F111-Q117 WeakPolarHBondContact O-CG 3.22Å; F111-Q117 PolarHBondContact O-NE2 2.93Å; L113-Q117 PolarHBondContact O-N 3.41Å; L113-Q117 VanDerWaalsContact O-N 3.09Å; K114-Q117 PolarHBondContact O-N 2.91Å; K114-Q117 VanDerWaalsContact O-N 3.14Å; Q117-R119 VanDerWaalsContact C-N 3.32Å; Q117-R119 PolarHBondContact O-N 2.8Å; Q117-M120 PolarHBondContact O-N 3.46Å; Q117-M120 VanDerWaalsContact O-N 3.13Å; Q117-Q121 WeakPolarHBondContact O-CG 3.3Å; Q117-Q121 PolarHBondContact O-N 3.37Å
118	E	75.8	Confident	65.3	Low	117 Å²	117	110.7 Å²	110.7	55%	0.547	56%	0.561	S	S	.	*	H	α-helix	trans	-58.5	-42.5	177	-73.3	159	-169.5	0	0	111.2	K114 V116 Q121 A122	K114-E118 WeakPolarHBondContact O-CB 3.29Å; K114-E118 VanDerWaalsContact O-CG 3.23Å; K114-E118 WeakPolarHBondContact O-CG 3.35Å; K114-E118 PolarHBondContact O-N 2.9Å; V116-E118 PolarHBondContact O-N 2.86Å; E118-Q121 PolarHBondContact O-N 3.14Å; E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 2.76Å
119	R	72.1	Confident	64.2	Low	212 Å²	212	110 Å²	110	80%	0.8	57%	0.565	S	S	*	*	H	α-helix	trans	-65	-40.6	173.7	-112.2	178.1	174.2	168.6	-0.9	112.8	V116 Q117 A122 G123	V116-R119 PolarHBondContact O-N 3.38Å; Q117-R119 VanDerWaalsContact C-N 3.32Å; Q117-R119 PolarHBondContact O-N 2.8Å; R119-A122 PolarHBondContact O-N 3.01Å; R119-G123 PolarHBondContact O-N 3.15Å; R119-G123 VanDerWaalsContact O-N 3.13Å
120	M	74.3	Confident	62.8	Low	98 Å²	98	115.7 Å²	115.7	48%	0.483	59%	0.589	S	S	.	*	H	α-helix	trans	-70	-32.3	177.7	-69.1	177.9	76.5	0	0	112.5	F111 V116 Q117 K124	F111-M120 HydrophobicContact CD1-CE 4.44Å; F111-M120 HydrophobicContact CD1-SD 3.85Å; F111-M120 HydrophobicContact CE1-CE 4.46Å; F111-M120 HydrophobicContact CE1-SD 4.16Å; V116-M120 HydrophobicContact CG1-SD 4.11Å; V116-M120 WeakPolarHBondContact O-CG 3.42Å; V116-M120 PolarHBondContact O-N 2.97Å; Q117-M120 PolarHBondContact O-N 3.46Å; Q117-M120 VanDerWaalsContact O-N 3.13Å; M120-K124 WeakPolarHBondContact O-CG 3.35Å; M120-K124 PolarHBondContact O-N 2.81Å
121	Q	68.3	Low	60.9	Low	119 Å²	119	122.2 Å²	122.2	56%	0.556	62%	0.619	S	S	*	*	H	α-helix	trans	-70.8	-44	172.8	-71.5	177.8	14.6	0	0	111.4	Q117 E118 G123 K124 N125	Q117-Q121 WeakPolarHBondContact O-CG 3.3Å; Q117-Q121 PolarHBondContact O-N 3.37Å; E118-Q121 PolarHBondContact O-N 3.14Å; Q121-G123 VanDerWaalsContact C-N 3.26Å; Q121-G123 PolarHBondContact O-N 3.05Å; Q121-K124 PolarHBondContact O-N 2.71Å; Q121-K124 VanDerWaalsContact O-N 3.08Å; Q121-N125 PolarHBondContact O-N 3.11Å
122	A	68.1	Low	59.3	Low	66 Å²	66	121.5 Å²	121.5	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-56.9	-38.8	174.7	0	0	0	0	0	112.5	E118 R119	E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 2.76Å; R119-A122 PolarHBondContact O-N 3.01Å
123	G	58.4	Low	58.1	Low	44 Å²	44	121 Å²	121	45%	0.454	64%	0.642	S	S	.	*	H	α-helix	trans	-65.6	-35.5	174.7	0	0	0	0	0	114.4	R119 Q121 F126	R119-G123 PolarHBondContact O-N 3.15Å; R119-G123 VanDerWaalsContact O-N 3.13Å; Q121-G123 VanDerWaalsContact C-N 3.26Å; Q121-G123 PolarHBondContact O-N 3.05Å; G123-F126 PolarHBondContact O-N 3.43Å
124	K	59.1	Low	55.9	Low	148 Å²	148	121.6 Å²	121.6	64%	0.643	66%	0.66	S	S	*	*	H	α-helix	trans	-70.1	-35.9	180	-75.4	178.7	177.8	-177.4	0	113	M120 Q121 F126 Q127	M120-K124 WeakPolarHBondContact O-CG 3.35Å; M120-K124 PolarHBondContact O-N 2.81Å; Q121-K124 PolarHBondContact O-N 2.71Å; Q121-K124 VanDerWaalsContact O-N 3.08Å; K124-F126 PolarHBondContact O-N 2.91Å; K124-F126 VanDerWaalsContact O-N 3.09Å; K124-Q127 PolarHBondContact O-N 3.17Å; K124-Q127 VanDerWaalsContact O-N 3.11Å
125	N	51.3	Low	54.1	Low	120 Å²	120	121.8 Å²	121.8	64%	0.642	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-14.5	179.2	-69.1	-6.1	0	0	0	113.7	Q121 S128	Q121-N125 PolarHBondContact O-N 3.11Å; N125-S128 PolarHBondContact O-OG 3.04Å
126	F	46.1	Very low	52.3	Low	180 Å²	180	122.5 Å²	122.5	79%	0.789	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-11.4	177.4	-144	-93.2	0	0	0	113.7	G123 K124	G123-F126 PolarHBondContact O-N 3.43Å; K124-F126 PolarHBondContact O-N 2.91Å; K124-F126 VanDerWaalsContact O-N 3.09Å
127	Q	48.1	Very low	50	Low	170 Å²	170	130.4 Å²	130.4	79%	0.794	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-11.1	-178.3	-74.9	-173.5	-36.8	0	0	114.4	K124 S129	K124-Q127 PolarHBondContact O-N 3.17Å; K124-Q127 VanDerWaalsContact O-N 3.11Å; Q127-S129 VanDerWaalsContact C-N 3.33Å; Q127-S129 PolarHBondContact O-N 3.4Å
128	S	43.5	Very low	47.8	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	73%	0.729	S	S	*	*	S	Bend	trans	-85.8	5.5	-177.8	50.5	0	0	0	0	115	N125	N125-S128 PolarHBondContact O-OG 3.04Å
129	S	44.2	Very low	45.8	Very low	94 Å²	94	132.3 Å²	132.3	66%	0.657	74%	0.739	S	S	*	*			trans	-141.9	64.2	-175.9	61.8	0	0	0	0	113.4	Q127	Q127-S129 VanDerWaalsContact C-N 3.33Å; Q127-S129 PolarHBondContact O-N 3.4Å
130	Q	39.9	Very low	43.7	Very low	192 Å²	192	126.7 Å²	126.7	90%	0.897	74%	0.738	S	S	*	*			trans	-121.2	138.5	152.5	-78.6	-167.4	-10.6	0	0	109.3
131	M	32.1	Very low	41.4	Very low	191 Å²	191	127.7 Å²	127.7	94%	0.941	75%	0.746	S	S	*	*			trans	-119.2	109.4	179.7	-153.1	178.9	-171.1	0	0	109.4
132	A	32.2	Very low	39.6	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	76%	0.757	S	S	*	*			trans	55.4	141.7	168.1	0	0	0	0	0	119.6
133	P	44.6	Very low	37.5	Very low	135 Å²	135	131.4 Å²	131.4	88%	0.877	77%	0.771	S	S	*	*			trans	-95.8	162.9	-176.6	38.5	-36.1	0	0	0	114.3
134	A	29	Very low	36	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	79%	0.789	S	S	*	*			trans	-144.3	144.7	158.5	0	0	0	0	0	110
135	D	31.2	Very low	34.4	Very low	162 Å²	162	134 Å²	134	87%	0.866	79%	0.794	S	S	*	*			trans	-62.5	138.8	-157.4	-51.8	-71.2	0	0	0	118.1
136	A	28.8	Very low	33.3	Very low	98 Å²	98	133.1 Å²	133.1	81%	0.81	80%	0.804	S	S	*	*			trans	-158.2	108.9	145.2	0	0	0	0	0	111.4
137	F	26.9	Very low	32.3	Very low	204 Å²	204	130.1 Å²	130.1	90%	0.895	81%	0.805	S	S	*	*			trans	-79.5	136	169.4	-100	-101.8	0	0	0	111.2
138	V	29.8	Very low	31.2	Very low	133 Å²	133	126.8 Å²	126.8	81%	0.806	81%	0.807	S	S	*	*			trans	-139.4	128.4	156.4	-175.2	0	0	0	0	108.7
139	P	33	Very low	30.6	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	81%	0.81	S	S	*	*			trans	-88.5	175.8	-177.1	36	-36.6	0	0	0	114.1
140	A	28.5	Very low	30.1	Very low	94 Å²	94	128 Å²	128	78%	0.777	82%	0.818	S	S	*	*			trans	-65.3	166.9	171.2	0	0	0	0	0	112.4
141	D	26.3	Very low	29.3	Very low	120 Å²	120	122.3 Å²	122.3	64%	0.642	81%	0.811	S	S	*	*				-171.6	173.7	80.4	-160	4.9	0	0	0	113.3
142	K	30	Very low	29.4	Very low	181 Å²	181	121.6 Å²	121.6	79%	0.787	81%	0.81	S	S	*	*			trans	-1.1	147.2	169.2	-66.1	140.4	-159	147.5	0	121.8
143	G	24.6	Very low	29.4	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	81%	0.808	S	S	*	*			trans	-168.9	113.9	156.3	0	0	0	0	0	115.2
144	V	26.3	Very low	28.4	Very low	138 Å²	138	124.8 Å²	124.8	84%	0.836	80%	0.804	S	S	*	*			trans	-90.5	136.8	-174.6	165.4	0	0	0	0	113.5
145	S	26.9	Very low	28.6	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	80%	0.801	S	S	*	*			trans	30.5	133.9	150.7	-53.9	0	0	0	0	124.4
146	A	26.2	Very low	28.4	Very low	101 Å²	101	124.8 Å²	124.8	84%	0.835	80%	0.796	S	S	*	*			trans	92.8	143	130.9	0	0	0	0	0	123.2
147	S	25.5	Very low	28.2	Very low	117 Å²	117	124.5 Å²	124.5	82%	0.818	78%	0.784	S	S	*	*			trans	91.9	124.7	148.3	-153.7	0	0	0	0	121.6
148	A	26.1	Very low	28.1	Very low	101 Å²	101	124.6 Å²	124.6	84%	0.835	79%	0.785	S	S	*	*			trans	67.9	151.4	153.8	0	0	0	0	0	120.8
149	A	30.2	Very low	27.9	Very low	94 Å²	94	122.2 Å²	122.2	78%	0.777	77%	0.774	S	S	*	*			trans	-97.8	161.8	-180	0	0	0	0	0	111.6
150	P	34.3	Very low	27.4	Very low	128 Å²	128	124.2 Å²	124.2	83%	0.831	78%	0.778	S	S	*	*				-153.6	175.3	89.4	41.2	-23.9	0	0	0	116.5
151	G	23.1	Very low	27.5	Very low	73 Å²	73	124.2 Å²	124.2	75%	0.753	78%	0.778	S	S	*	*			trans	81.3	122.8	137.4	0	0	0	0	0	121.2
152	L	33.9	Very low	27.4	Very low	176 Å²	176	121.5 Å²	121.5	92%	0.921	78%	0.779	S	S	*	*			trans	-77.6	146.4	165.1	-93	148.5	0	0	0	112.8
153	P	32.3	Very low	27.3	Very low	114 Å²	114	121.4 Å²	121.4	74%	0.74	78%	0.781	S	S	*	*			trans	-147.8	134.1	130.8	34	-16.4	0	0	0	118
154	K	24.1	Very low	27.4	Very low	183 Å²	183	122.7 Å²	122.7	80%	0.796	77%	0.772	S	S	*	*			trans	27.8	124.5	131.6	-68.4	-174.8	179.5	-178.7	0	121
155	L	32.7	Very low	27.4	Very low	141 Å²	141	122.3 Å²	122.3	74%	0.738	77%	0.766	S	S	*	*				73.3	138.1	87.3	-70.5	173.9	0	0	0	116	V157	L155-V157 HydrophobicContact CB-CG2 4.43Å; L155-V157 HydrophobicContact CD1-CG2 4.37Å; L155-V157 HydrophobicContact CD2-CG2 4.35Å
156	P	27.6	Very low	27.3	Very low	118 Å²	118	123.9 Å²	123.9	77%	0.766	77%	0.765	S	S	*	*				-129.4	166.6	82.3	39.9	-30.3	0	0	0	113.3
157	V	24.1	Very low	27.2	Very low	93 Å²	93	131.2 Å²	131.2	56%	0.564	77%	0.771	S	S	*	*			cis	87.5	106.5	19.3	-177.3	0	0	0	0	116.5	L155	L155-V157 HydrophobicContact CB-CG2 4.43Å; L155-V157 HydrophobicContact CD1-CG2 4.37Å; L155-V157 HydrophobicContact CD2-CG2 4.35Å
158	F	23.7	Very low	27.1	Very low	206 Å²	206	130.5 Å²	130.5	90%	0.904	77%	0.773	S	S	*	*			trans	-175.6	165.1	140	-107.3	-73.2	0	0	0	109.6
159	S	25.6	Very low	26.9	Very low	83 Å²	83	129.6 Å²	129.6	58%	0.58	77%	0.773	S	S	*	*				-159.4	155.7	-90.9	-75	0	0	0	0	110.4
160	N	23.5	Very low	26.7	Very low	158 Å²	158	131 Å²	131	85%	0.845	78%	0.777	S	S	*	*			trans	171.4	124.8	142.3	-85.9	-10.8	0	0	0	107.5
161	A	30.3	Very low	26.3	Very low	93 Å²	93	129.2 Å²	129.2	77%	0.769	77%	0.767	S	S	*	*			cis	82.6	137.3	39.8	0	0	0	0	0	113.2
162	G	25.4	Very low	26.4	Very low	64 Å²	64	134.7 Å²	134.7	66%	0.66	77%	0.771	S	S	*	*			cis	-105.8	172.7	-1.3	0	0	0	0	0	114.5
163	E	27.5	Very low	25.8	Very low	179 Å²	179	137.2 Å²	137.2	84%	0.836	77%	0.768	S	S	*	*			cis	77.3	136.2	48.1	-63.8	-166.6	139.5	0	0	113.8
164	T	27.1	Very low	25.5	Very low	107 Å²	107	135.8 Å²	135.8	66%	0.656	77%	0.765	S	S	*	*			cis	-157.6	143.3	-5.9	7.9	0	0	0	0	113.6
165	D	25.1	Very low	25.5	Very low	131 Å²	131	131.8 Å²	131.8	70%	0.701	76%	0.761	S	S	*	*			trans	55.9	136.5	135.1	-74.6	-26.4	0	0	0	127.8
166	L	24.9	Very low	25.3	Very low	142 Å²	142	134.9 Å²	134.9	74%	0.743	77%	0.771	S	S	*	*			trans	56.2	115.3	133.6	-63.6	169.2	0	0	0	121.7
167	W	23.4	Very low	25	Very low	255 Å²	255	132.5 Å²	132.5	97%	0.966	77%	0.768	S	S	*	*				-168.9	173.3	100.3	-106.6	-0.9	0	0	0	114.3
168	A	24	Very low	25.1	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	78%	0.777	S	S	*	*			trans	-104	164.3	177.5	0	0	0	0	0	111.6
169	G	23.1	Very low	25.1	Very low	82 Å²	82	129.6 Å²	129.6	85%	0.845	77%	0.772	S	S	*	*			trans	168.9	131.7	169.5	0	0	0	0	0	114.8
170	S	25	Very low	25.2	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	79%	0.786	S	S	*	*			trans	-101.8	162.7	174	179.8	0	0	0	0	111.3
171	S	25.1	Very low	25.3	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	78%	0.784	S	S	*	*			trans	103.7	126.6	150.3	-170.2	0	0	0	0	119.2
172	K	25.3	Very low	25	Very low	188 Å²	188	137.8 Å²	137.8	82%	0.817	79%	0.788	S	S	*	*			trans	25	141.4	136.9	-46.2	169.9	-178.4	171.3	0	117.3
173	R	23.3	Very low	25.1	Very low	230 Å²	230	143.4 Å²	143.4	87%	0.868	80%	0.797	S	S	*	*			cis	174.3	152.3	47.4	-156.2	-176.1	-174.3	174.3	-0.3	109.3
174	A	24.3	Very low	25.2	Very low	83 Å²	83	140.7 Å²	140.7	69%	0.686	80%	0.795	S	S	*	*			trans	60.3	162.2	146.7	0	0	0	0	0	119.3
175	S	24.5	Very low	25.1	Very low	100 Å²	100	141 Å²	141	70%	0.699	80%	0.801	S	S	*	*			cis	-173.5	136.4	-23.7	51.6	0	0	0	0	110.4
176	Q	27.8	Very low	25.1	Very low	205 Å²	205	140.1 Å²	140.1	96%	0.958	81%	0.805	S	S	*	*			trans	173.5	144.1	153.1	-98.9	154.1	18	0	0	108
177	G	22.3	Very low	25	Very low	68 Å²	68	138 Å²	138	70%	0.701	80%	0.803	S	S	*	*			cis	144.8	139.8	-5.1	0	0	0	0	0	111.4
178	A	27.1	Very low	25.1	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	80%	0.798	S	S	*	*			trans	72	115.5	-167.4	0	0	0	0	0	113.8
179	D	23.5	Very low	25	Very low	149 Å²	149	134.6 Å²	134.6	80%	0.797	79%	0.786	S	S	*	*			cis	86.9	113.4	34.3	-59.2	-50.7	0	0	0	114.6
180	L	26.6	Very low	25.2	Very low	169 Å²	169	137.3 Å²	137.3	89%	0.885	78%	0.781	S	S	*	*				-173.9	158.3	108.7	-98.4	167	0	0	0	112.5
181	L	26	Very low	25.2	Very low	153 Å²	153	140 Å²	140	80%	0.801	78%	0.78	S	S	*	*			trans	-92.1	157.4	171.9	-72.3	78.2	0	0	0	110.3
182	E	24.1	Very low	25.2	Very low	184 Å²	184	140.8 Å²	140.8	86%	0.86	79%	0.785	S	S	*	*				-178.5	148.4	105.9	-97.8	-171.1	161.7	0	0	113.7
183	H	26.4	Very low	25.1	Very low	182 Å²	182	137.5 Å²	137.5	84%	0.843	78%	0.781	S	S	*	*			trans	-99.2	152.5	152	-78.8	-69.1	0	0	0	107.6
184	P	31.2	Very low	25.3	Very low	122 Å²	122	134.4 Å²	134.4	79%	0.792	78%	0.781	S	S	*	*				-142.4	160.9	113.3	36.9	-24.9	0	0	0	115.6
185	S	23.3	Very low	26.3	Very low	112 Å²	112	136 Å²	136	78%	0.783	78%	0.784	S	S	*	*			trans	-75.7	159.3	172.6	-40.4	0	0	0	0	112.8
186	S	25	Very low	27.2	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	79%	0.791	S	S	*	*				177.2	128.3	121.7	43.4	0	0	0	0	116.6
187	S	24.3	Very low	27.1	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	78%	0.776	S	S	*	*			trans	19.1	129.2	144.4	63	0	0	0	0	123
188	K	25.1	Very low	27.2	Very low	198 Å²	198	134.2 Å²	134.2	86%	0.861	78%	0.78	S	S	*	*				162.4	155	124.2	-90.1	159.6	-175.2	174.6	0	110.1
189	S	22.3	Very low	27.2	Very low	86 Å²	86	139 Å²	139	60%	0.601	79%	0.785	S	S	*	*			cis	174.8	161.8	-31.3	50.1	0	0	0	0	107.9
190	L	25.8	Very low	27.2	Very low	140 Å²	140	137.6 Å²	137.6	73%	0.733	78%	0.781	S	S	*	*			trans	81.1	109.9	176.5	-47	175	0	0	0	113.9
191	Q	25.5	Very low	27.1	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	78%	0.775	S	S	*	*				76.2	127.1	84.7	-70.8	169.6	-3.1	0	0	112.6
192	S	25.4	Very low	27.1	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	77%	0.771	S	S	*	*				-152.8	127	55	166.8	0	0	0	0	116.6
193	T	24.2	Very low	27	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	76%	0.76	S	S	*	*				39.5	99.9	126.1	4	0	0	0	0	124.1
194	L	26.9	Very low	26.9	Very low	165 Å²	165	130.5 Å²	130.5	86%	0.864	76%	0.761	S	S	*	*			trans	32.8	142.1	131.1	-90.2	74	0	0	0	126
195	P	44.6	Very low	27.3	Very low	116 Å²	116	130.2 Å²	130.2	75%	0.753	76%	0.758	S	S	*	*			trans	-118.3	162.1	159.7	42.2	-32.9	0	0	0	115.5
196	P	44.1	Very low	27.3	Very low	129 Å²	129	129.6 Å²	129.6	84%	0.838	76%	0.76	S	S	*	*			trans	-139.5	-171.9	150.3	45.6	-31.9	0	0	0	111.6
197	A	25.9	Very low	27.2	Very low	79 Å²	79	130.1 Å²	130.1	65%	0.653	76%	0.764	S	S	*	*			cis	-157	128.4	5.5	0	0	0	0	0	113.9
198	T	25	Very low	27.1	Very low	128 Å²	128	131 Å²	131	79%	0.785	77%	0.77	S	S	*	*			trans	50.5	162.4	131.5	64.4	0	0	0	0	125.7
199	K	25.8	Very low	27	Very low	191 Å²	191	125.9 Å²	125.9	83%	0.83	77%	0.765	S	S	*	*			trans	91.6	160.1	165.3	-60.4	-176.8	-178.9	-179.2	0	118.2
200	T	23.7	Very low	27.1	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	77%	0.772	S	S	*	*				178.1	136.2	-61.8	34.9	0	0	0	0	109.1
201	S	25.2	Very low	26.9	Very low	107 Å²	107	130 Å²	130	75%	0.748	78%	0.78	S	S	*	*			trans	59	157	171.9	78.9	0	0	0	0	116.6
202	D	24.8	Very low	26.8	Very low	133 Å²	133	128.6 Å²	128.6	71%	0.711	78%	0.778	S	S	*	*			cis	-153.7	142.8	25.7	-108.1	-64.2	0	0	0	115
203	T	23.2	Very low	26.7	Very low	104 Å²	104	132.7 Å²	132.7	64%	0.638	79%	0.785	S	S	*	*				44.4	97	124.6	-48.7	0	0	0	0	123.1
204	F	23.4	Very low	26.7	Very low	195 Å²	195	134 Å²	134	86%	0.855	79%	0.787	S	S	*	*			trans	56.6	172.1	138	-71.4	-50	0	0	0	122
205	P	39.7	Very low	26.6	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	78%	0.784	S	S	*	*			cis	-135.8	-160.7	-46.1	40.8	-23.7	0	0	0	113.3
206	A	23.6	Very low	25.7	Very low	99 Å²	99	136.1 Å²	136.1	82%	0.818	79%	0.786	S	S	*	*			trans	85.1	114.5	155.3	0	0	0	0	0	119.7
207	S	22.3	Very low	24.7	Very low	125 Å²	125	137.2 Å²	137.2	87%	0.874	79%	0.79	S	S	*	*			trans	-97.2	160.7	158.1	52.9	0	0	0	0	110.6
208	S	23	Very low	24.5	Very low	117 Å²	117	136.8 Å²	136.8	82%	0.818	79%	0.794	S	S	*	*			trans	-146.2	161.4	179.8	66	0	0	0	0	112.6
209	A	23.5	Very low	24.4	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	80%	0.8	S	S	*	*			trans	55.9	99.5	163	0	0	0	0	0	118.8
210	S	23.5	Very low	24.3	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	80%	0.8	S	S	*	*			trans	-32	149.7	137.5	52.4	0	0	0	0	115.9
211	F	21.8	Very low	24.3	Very low	206 Å²	206	136 Å²	136	90%	0.904	80%	0.802	S	S	*	*			trans	-154.8	154.5	134.8	-124.2	-84.9	0	0	0	112.1
212	N	22.7	Very low	24.2	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	81%	0.805	S	S	*	*			trans	-89.1	149.6	169.4	-68.9	-35.3	0	0	0	110.2
213	E	23	Very low	25.1	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	81%	0.805	S	S	*	*			trans	-156.8	170.6	133.3	-127.5	178.9	169.4	0	0	113.1
214	L	26.1	Very low	25	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	81%	0.814	S	S	*	*			trans	-149.9	121.3	-163.7	-175.5	171.6	0	0	0	109.2
215	I	24.3	Very low	25.1	Very low	158 Å²	158	138.7 Å²	138.7	81%	0.81	81%	0.814	S	S	*	*			trans	-132	143.7	175.2	-68.9	-175.3	0	0	0	111.2
216	Q	26.1	Very low	24.3	Very low	169 Å²	169	136 Å²	136	79%	0.79	81%	0.807	S	S	*	*			trans	-101.8	151.1	179.2	-52.9	168.2	-50	0	0	111.6
217	T	22.7	Very low	24.5	Very low	151 Å²	151	137.1 Å²	137.1	93%	0.926	81%	0.809	S	S	*	*			trans	-157.5	153.9	143.7	43.5	0	0	0	0	110.3
218	G	21.7	Very low	24.5	Very low	71 Å²	71	139.7 Å²	139.7	73%	0.732	80%	0.804	S	S	*	*			trans	-167.5	168.4	168.1	0	0	0	0	0	111.3
219	V	23.2	Very low	24.8	Very low	149 Å²	149	141.8 Å²	141.8	90%	0.903	80%	0.801	S	S	*	*			trans	-163.4	170.3	168.5	124.6	0	0	0	0	111.6
220	Q	23.1	Very low	25.1	Very low	179 Å²	179	142.1 Å²	142.1	84%	0.836	80%	0.804	S	S	*	*			trans	-77.7	-178	-168.2	-55	164.5	-15.1	0	0	113.3
221	A	23.6	Very low	25.4	Very low	93 Å²	93	141 Å²	141	77%	0.769	80%	0.801	S	S	*	*			cis	-157.6	-168.7	18.7	0	0	0	0	0	114.5
222	T	23	Very low	25.7	Very low	133 Å²	133	136.7 Å²	136.7	82%	0.816	80%	0.796	S	S	*	*			trans	-118.4	-159.2	-173.5	55.1	0	0	0	0	112
223	P	42.8	Very low	26	Very low	111 Å²	111	134.5 Å²	134.5	72%	0.721	79%	0.793	S	S	*	*			cis	-128.9	-174	-36.7	35.6	-18	0	0	0	113.6
224	L	22.9	Very low	26.1	Very low	155 Å²	155	130.6 Å²	130.6	81%	0.812	79%	0.786	S	S	*	*			trans	-162.6	134.7	156.4	-131.1	90.5	0	0	0	113.8
225	F	25	Very low	26.1	Very low	197 Å²	197	128.8 Å²	128.8	86%	0.864	79%	0.786	S	S	*	*			trans	28.7	146.7	166	-68	-84.7	0	0	0	122.9
226	G	23.2	Very low	26.3	Very low	57 Å²	57	128 Å²	128	59%	0.588	78%	0.783	S	S	*	*			cis	99.3	138.5	-8.4	0	0	0	0	0	117
227	S	27.7	Very low	26.2	Very low	123 Å²	123	129.2 Å²	129.2	86%	0.86	79%	0.785	S	S	*	*			cis	-169.8	149.9	-9.4	-71.7	0	0	0	0	111.7
228	K	21.7	Very low	26.4	Very low	180 Å²	180	126 Å²	126	78%	0.783	78%	0.775	S	S	*	*			trans	-153.7	116.5	158.7	-97.6	-156.1	169.8	-162.9	0	111.3
229	E	29.8	Very low	26.6	Very low	161 Å²	161	128.6 Å²	128.6	75%	0.752	78%	0.781	S	S	*	*				71.8	129.7	90.3	-71.7	-175.5	145.2	0	0	114.7
230	A	30	Very low	26.6	Very low	97 Å²	97	124.3 Å²	124.3	80%	0.802	77%	0.767	S	S	*	*			cis	-165.4	-173.3	-12.1	0	0	0	0	0	107.7
231	A	28.9	Very low	26.8	Very low	83 Å²	83	124.4 Å²	124.4	69%	0.686	77%	0.767	S	S	*	*			cis	-161.8	172.1	1.4	0	0	0	0	0	110.8
232	S	28.3	Very low	26.9	Very low	116 Å²	116	125 Å²	125	81%	0.811	77%	0.766	S	S	*	*			trans	58.5	140.4	159.5	52.7	0	0	0	0	121.2
233	S	28	Very low	27.1	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	77%	0.765	S	S	*	*			cis	-167	151.2	-9.1	47.7	0	0	0	0	113.6
234	S	25.6	Very low	26.4	Very low	109 Å²	109	125.6 Å²	125.6	76%	0.762	78%	0.776	S	S	*	*			trans	61.4	121.7	161.1	48.1	0	0	0	0	119.9
235	S	26.8	Very low	26.5	Very low	109 Å²	109	121.9 Å²	121.9	76%	0.762	78%	0.776	S	S	*	*				79.5	136.7	68	-108	0	0	0	0	113.6
236	L	27.7	Very low	26.6	Very low	143 Å²	143	120.9 Å²	120.9	75%	0.749	77%	0.774	S	S	*	*			cis	-135.2	152.2	10.9	-76.8	167.1	0	0	0	109.9
237	K	24.6	Very low	26.7	Very low	193 Å²	193	124.3 Å²	124.3	84%	0.839	78%	0.778	S	S	*	*				65.9	139.8	66.4	-99.6	-175	-179.2	-179.6	0	114.1
238	A	27.4	Very low	26.6	Very low	85 Å²	85	125.7 Å²	125.7	70%	0.702	78%	0.775	S	S	*	*			cis	-163.6	173.9	6.1	0	0	0	0	0	114.5
239	S	24.5	Very low	26.7	Very low	125 Å²	125	122.2 Å²	122.2	87%	0.874	77%	0.774	S	S	*	*			trans	75.3	143.5	152.8	-157.6	0	0	0	0	119.3
240	G	24.8	Very low	26.4	Very low	58 Å²	58	122 Å²	122	60%	0.598	78%	0.777	S	S	*	*			cis	157.1	151.3	-9.8	0	0	0	0	0	114.1
241	H	26.7	Very low	26.1	Very low	182 Å²	182	122.1 Å²	122.1	84%	0.843	77%	0.772	S	S	*	*			trans	62.5	136.2	-179.3	-66.1	-69.6	0	0	0	116
242	S	25.7	Very low	26	Very low	106 Å²	106	124.1 Å²	124.1	74%	0.741	77%	0.771	S	S	*	*			cis	90.4	117.7	24.6	84	0	0	0	0	115.8
243	G	26.3	Very low	25.9	Very low	77 Å²	77	126.5 Å²	126.5	79%	0.794	77%	0.769	S	S	*	*			trans	163	134.6	168.1	0	0	0	0	0	113.7
244	D	28.2	Very low	25.7	Very low	178 Å²	178	127 Å²	127	95%	0.952	77%	0.773	S	S	*	*			trans	-78.6	165.9	174.1	-57	-88.2	0	0	0	112.9
245	G	25.3	Very low	25.7	Very low	78 Å²	78	126 Å²	126	80%	0.804	77%	0.771	S	S	*	*			trans	169.1	139.5	166.1	0	0	0	0	0	114.3
246	Q	27.4	Very low	25.6	Very low	176 Å²	176	126.1 Å²	126.1	82%	0.822	77%	0.767	S	S	*	*			trans	-118.8	152.5	177.9	-61.4	-177	1.2	0	0	112.4
247	N	24.8	Very low	25.4	Very low	129 Å²	129	128.5 Å²	128.5	69%	0.69	77%	0.774	S	S	*	*			trans	74.2	120.3	145.9	-76.2	-38.2	0	0	0	122.5
248	L	26.1	Very low	25.2	Very low	151 Å²	151	122.6 Å²	122.6	79%	0.791	77%	0.768	S	S	*	*			trans	89.2	123	133.4	-66.9	167.6	0	0	0	123
249	S	23.8	Very low	24.9	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	78%	0.782	S	S	*	*			trans	79.2	148	144.6	80.4	0	0	0	0	118.6
250	L	24.8	Very low	24.7	Very low	156 Å²	156	129.9 Å²	129.9	82%	0.817	77%	0.773	S	S	*	*			cis	-158.7	169.1	-2.4	-129.2	170.1	0	0	0	112.3
251	S	23.4	Very low	24.7	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	78%	0.776	S	S	*	*			trans	76.6	147.6	169.3	84.9	0	0	0	0	116.7
252	N	25.1	Very low	24.6	Very low	124 Å²	124	129.4 Å²	129.4	66%	0.663	77%	0.774	S	S	*	*			cis	-156.3	136.1	3.7	-140.8	-8.2	0	0	0	112.4
253	Q	27	Very low	24.6	Very low	167 Å²	167	130.4 Å²	130.4	78%	0.78	78%	0.781	S	S	*	*			trans	49	148.4	153.1	-70.6	167.2	68.8	0	0	121.1
254	S	25	Very low	24.5	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	78%	0.781	S	S	*	*			cis	-162.9	165	-8.1	51.2	0	0	0	0	110.2
255	A	24	Very low	24.5	Very low	88 Å²	88	131.3 Å²	131.3	73%	0.727	78%	0.777	S	S	*	*			trans	-97.8	-173.6	175.7	0	0	0	0	0	111.5
256	V	25.7	Very low	24.6	Very low	112 Å²	112	139.1 Å²	139.1	68%	0.679	78%	0.782	S	S	*	*				179.6	142.2	61.4	166.6	0	0	0	0	110.7
257	H	23.1	Very low	24.5	Very low	193 Å²	193	140 Å²	140	89%	0.894	78%	0.783	S	S	*	*			trans	51.5	167.7	160.4	-61.8	-31.5	0	0	0	120.9
258	G	20.3	Very low	24.4	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	78%	0.781	S	S	*	*			cis	153.2	166.6	-14.7	0	0	0	0	0	115.7
259	W	20.2	Very low	24.3	Very low	266 Å²	266	139.3 Å²	139.3	100%	1.008	78%	0.782	S	S	*	*			trans	84.2	169.4	169.9	-142.6	-93.7	0	0	0	119.9
260	S	21.8	Very low	24.3	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	79%	0.788	S	S	*	*			trans	-130.4	157	-159	170.9	0	0	0	0	113
261	A	24.2	Very low	24.3	Very low	80 Å²	80	142.1 Å²	142.1	66%	0.661	78%	0.783	S	S	*	*				162.8	149.7	123.2	0	0	0	0	0	116.4
262	N	23.8	Very low	24.4	Very low	151 Å²	151	143.4 Å²	143.4	81%	0.807	79%	0.786	S	S	*	*			trans	74.1	123.4	143.9	-82.3	-13.5	0	0	0	124.5
263	S	25.7	Very low	24.4	Very low	126 Å²	126	141.4 Å²	141.4	88%	0.881	79%	0.787	S	S	*	*			trans	85.6	149.2	135	82.1	0	0	0	0	120.2
264	G	25.4	Very low	24.4	Very low	78 Å²	78	140.9 Å²	140.9	80%	0.804	79%	0.79	S	S	*	*			trans	149	110.6	176.5	0	0	0	0	0	112.2
265	K	27	Very low	24.5	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.857	78%	0.779	S	S	*	*			trans	-111.5	159.3	172.8	-68.6	176.7	179.3	173	0	109.6
266	R	27.3	Very low	24.5	Very low	242 Å²	242	142.3 Å²	142.3	91%	0.913	78%	0.782	S	S	*	*			trans	80.6	166.9	167.1	-53.9	171.6	177.8	169.6	-1.2	115.7
267	K	26	Very low	24.4	Very low	193 Å²	193	143 Å²	143	84%	0.839	78%	0.782	S	S	*	*			cis	175.6	126.9	-37.9	-172.5	-173.9	-176.8	-168.5	0	107.5
268	A	23.3	Very low	25.5	Very low	79 Å²	79	139 Å²	139	65%	0.653	77%	0.773	S	S	*	*			trans	64.6	135.2	157.3	0	0	0	0	0	121.6
269	F	24.3	Very low	25.7	Very low	187 Å²	187	141.9 Å²	141.9	82%	0.82	78%	0.776	S	S	*	*			trans	39.3	121.2	137.7	-74.2	-101.7	0	0	0	121.3
270	Y	23.6	Very low	25.9	Very low	220 Å²	220	134.8 Å²	134.8	86%	0.863	76%	0.762	S	S	*	*				-161	-169.7	86.9	-130.1	-95	0	0	0	112.4
271	S	23.6	Very low	26.9	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	76%	0.764	S	S	*	*			trans	-117.7	-161.4	-169.6	-167.5	0	0	0	0	113
272	V	25.3	Very low	27	Very low	126 Å²	126	137.8 Å²	137.8	76%	0.764	77%	0.765	S	S	*	*			trans	88.6	109.8	177.3	-172.5	0	0	0	0	112.8
273	A	26	Very low	27.2	Very low	83 Å²	83	137.8 Å²	137.8	69%	0.686	77%	0.765	S	S	*	*				81	164.7	63	0	0	0	0	0	113
274	D	27	Very low	27.3	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	76%	0.758	S	S	*	*			cis	-160	-176.6	-3.6	-132.4	-27.4	0	0	0	107.4
275	E	26.7	Very low	27.3	Very low	119 Å²	119	138.6 Å²	138.6	56%	0.556	75%	0.753	S	S	*	*			cis	-157.1	158.5	-2.2	-159.9	-78.8	137.1	0	0	106.4	N277	E275-N277 WeakPolarHBondContact OE1-CB 3.48Å; E275-N277 PolarHBondContact OE1-N 3.17Å; E275-N277 PolarHBondContact OE1-ND2 3.35Å; E275-N277 PolarHBondContact OE2-N 2.81Å
276	S	24.3	Very low	27.1	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	75%	0.754	S	S	*	*			trans	-164.6	113.6	146	61.1	0	0	0	0	114.6
277	N	23.5	Very low	27.1	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	75%	0.754	S	S	*	*			trans	-99.1	-166.5	170.8	-108.6	-66.7	0	0	0	112	E275	E275-N277 WeakPolarHBondContact OE1-CB 3.48Å; E275-N277 PolarHBondContact OE1-N 3.17Å; E275-N277 PolarHBondContact OE1-ND2 3.35Å; E275-N277 PolarHBondContact OE2-N 2.81Å
278	P	45.5	Very low	27	Very low	109 Å²	109	129.1 Å²	129.1	71%	0.708	76%	0.756	S	S	*	*			cis	-125.7	-170.9	8.7	29.9	-3.5	0	0	0	113.5
279	V	24.5	Very low	27.1	Very low	129 Å²	129	130.7 Å²	130.7	78%	0.782	76%	0.762	S	S	*	*				-162	152.7	52	170	0	0	0	0	111.6
280	T	26	Very low	27.1	Very low	116 Å²	116	128.1 Å²	128.1	71%	0.712	76%	0.762	S	S	*	*			trans	-127.2	172.7	173.8	59.8	0	0	0	0	112
281	P	41.7	Very low	27.2	Very low	109 Å²	109	122 Å²	122	71%	0.708	75%	0.751	S	S	*	*				-150.8	138.7	96.7	36	-17.2	0	0	0	118.3
282	N	26.7	Very low	27.3	Very low	130 Å²	130	123.4 Å²	123.4	70%	0.695	76%	0.755	S	S	*	*				58.9	157	125.7	-50.1	-17.4	0	0	0	121.5
283	L	27.5	Very low	27.3	Very low	151 Å²	151	126.7 Å²	126.7	79%	0.791	76%	0.763	S	S	*	*			cis	-131.4	143.7	8	-83.9	90.1	0	0	0	109.2
284	T	27.8	Very low	27.3	Very low	120 Å²	120	127.9 Å²	127.9	74%	0.736	77%	0.766	S	S	*	*				71.7	143.9	56.1	71.7	0	0	0	0	115
285	S	25	Very low	27.2	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	77%	0.767	S	S	*	*			cis	-163.3	154.4	9.4	87.4	0	0	0	0	116.1
286	C	23.3	Very low	27.2	Very low	129 Å²	129	126.1 Å²	126.1	87%	0.872	78%	0.779	S	S	*	*			trans	64.4	164	134.9	-62.2	0	0	0	0	125.3
287	Q	26.9	Very low	27.4	Very low	197 Å²	197	126.1 Å²	126.1	92%	0.921	78%	0.779	S	S	*	*			trans	-105.3	158.3	-179.6	-55.4	168.7	-55.9	0	0	112.7
288	A	24.2	Very low	28.4	Very low	107 Å²	107	126.4 Å²	126.4	88%	0.884	79%	0.788	S	S	*	*			trans	-158.9	172.2	154	0	0	0	0	0	111.4
289	S	25.7	Very low	27.4	Very low	112 Å²	112	125 Å²	125	78%	0.783	79%	0.792	S	S	*	*			trans	-126.9	-164.5	-172.2	59.9	0	0	0	0	113.1
290	V	24.6	Very low	27.6	Very low	134 Å²	134	125.7 Å²	125.7	81%	0.812	79%	0.792	S	S	*	*			trans	87.1	142.8	176.9	-175.8	0	0	0	0	115.1
291	S	26.3	Very low	27.6	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	80%	0.802	S	S	*	*			cis	-169.7	160.2	-33.1	-87.5	0	0	0	0	109.7
292	T	25.2	Very low	27.1	Very low	133 Å²	133	133.4 Å²	133.4	82%	0.816	80%	0.804	S	S	*	*			trans	49.2	125.4	153.9	42.9	0	0	0	0	121.7
293	E	23.9	Very low	27.1	Very low	195 Å²	195	139 Å²	139	91%	0.911	82%	0.816	S	S	*	*				-165.5	-177.1	106.2	-109.3	-177.1	-159.5	0	0	112.4
294	S	26	Very low	27.2	Very low	109 Å²	109	138.6 Å²	138.6	76%	0.762	82%	0.815	S	S	*	*			trans	-137.1	140	-150.4	61.2	0	0	0	0	118
295	S	25.5	Very low	27.3	Very low	122 Å²	122	141.9 Å²	141.9	85%	0.853	82%	0.822	S	S	*	*			trans	179.4	157.1	153.9	38.4	0	0	0	0	109.3
296	S	26.8	Very low	27.6	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	83%	0.832	S	S	*	*			cis	-156.6	175.3	-16.9	52.4	0	0	0	0	109.4
297	S	28.8	Very low	27.8	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	83%	0.831	S	S	*	*			trans	-136.4	179	177.6	-49.9	0	0	0	0	108.9
298	P	43.7	Very low	28.1	Very low	133 Å²	133	140.4 Å²	140.4	86%	0.864	83%	0.825	S	S	*	*			cis	-135.3	-174.1	-0.3	42.6	-25.2	0	0	0	114.7
299	G	25.4	Very low	28.6	Very low	78 Å²	78	141.2 Å²	141.2	80%	0.804	82%	0.819	S	S	*	*			trans	-162.7	135.5	165.8	0	0	0	0	0	111.9
300	N	28.4	Very low	29.2	Very low	144 Å²	144	142 Å²	142	77%	0.77	82%	0.819	S	S	*	*			trans	-137.3	133.7	-165.3	178.8	9.7	0	0	0	113.1
301	R	26.7	Very low	30	Very low	247 Å²	247	139.2 Å²	139.2	93%	0.932	82%	0.818	S	S	*	*			trans	-159.8	130.9	155.2	-124.5	176.4	-176.7	-173.8	0.5	113.5
302	N	29.6	Very low	30.8	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	83%	0.83	S	S	*	*			trans	-89.9	151.2	179.6	-66.6	-16.3	0	0	0	113.7
303	R	27.7	Very low	32.4	Very low	247 Å²	247	145.4 Å²	145.4	93%	0.932	82%	0.818	S	S	*	*			trans	-159.2	158.5	130.5	-118.2	-179.7	179.2	-134.7	-2.7	112.3
304	N	29.3	Very low	34.2	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	80%	0.801	S	S	*	*			trans	-75.5	176	-175.5	-51.8	1.2	0	0	0	110.6
305	E	29.9	Very low	35.7	Very low	189 Å²	189	139.2 Å²	139.2	88%	0.883	80%	0.798	S	S	*	*			cis	-142.9	-158.9	33.3	-69.1	-177	141.6	0	0	114.6
306	E	30.6	Very low	37.3	Very low	199 Å²	199	141.2 Å²	141.2	93%	0.93	79%	0.791	S	S	*	*			trans	-86.1	164.3	-154.9	-50.5	-179.9	129.5	0	0	115.8
307	G	29.1	Very low	39	Very low	81 Å²	81	139.7 Å²	139.7	84%	0.835	77%	0.772	S	S	*	*			trans	165.5	76	170.1	0	0	0	0	0	115.9
308	S	32.6	Very low	40.7	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	76%	0.755	S	S	*	*			trans	-95.6	136.4	172.1	179.6	0	0	0	0	111.6
309	V	35	Very low	41.6	Very low	123 Å²	123	137.3 Å²	137.3	75%	0.745	74%	0.739	S	S	*	*			trans	177.1	125.8	130.6	146	0	0	0	0	112.8
310	T	37.1	Very low	43	Very low	129 Å²	129	141.8 Å²	141.8	79%	0.791	73%	0.732	S	S	*	*			trans	36.2	120.2	160.2	62.7	0	0	0	0	121.9
311	G	42.7	Very low	44.8	Very low	76 Å²	76	138 Å²	138	78%	0.784	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-79.9	171.8	162	0	0	0	0	0	115
312	F	42.7	Very low	46.1	Very low	203 Å²	203	131.4 Å²	131.4	89%	0.89	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-73.6	135	-171.9	-160.5	-94.2	0	0	0	113.3
313	R	59.6	Low	47.3	Very low	150 Å²	150	131.8 Å²	131.8	57%	0.566	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-99.8	146.9	171	-79.5	-166.8	148.1	164.9	0.8	112	E317	R313-E317 WeakPolarHBondContact CG-OE2 3.28Å; R313-E317 IonicContact CZ-OE1 3.14Å; R313-E317 IonicContact NE-OE1 2.87Å; R313-E317 PolarHBondContact NE-OE1 2.88Å; R313-E317 IonicContact NE-OE2 3.63Å; R313-E317 IonicContact NH2-OE1 2.94Å; R313-E317 PolarHBondContact NH2-OE1 2.72Å; R313-E317 VanDerWaalsContact NH2-OE1 3.15Å
314	T	61.9	Low	48.2	Very low	89 Å²	89	127.4 Å²	127.4	55%	0.546	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-93.2	149	176.2	51.6	0	0	0	0	112.2	K316 E317 Q318	T314-K316 PolarHBondContact O-N 3.35Å; T314-K316 VanDerWaalsContact O-N 3.07Å; T314-E317 VanDerWaalsContact O-CB 3.32Å; T314-E317 WeakPolarHBondContact O-CB 3.07Å; T314-E317 PolarHBondContact O-N 2.77Å; T314-Q318 PolarHBondContact O-N 3.15Å
315	A	55.8	Low	48.9	Very low	86 Å²	86	128.8 Å²	128.8	71%	0.711	68%	0.684	S	S	*	*	H	α-helix	trans	-56.3	-29.9	-175.9	0	0	0	0	0	114.1	E317 Q318 L319	A315-E317 VanDerWaalsContact C-N 3.34Å; A315-E317 PolarHBondContact O-N 2.7Å; A315-Q318 PolarHBondContact O-N 2.94Å; A315-L319 WeakPolarHBondContact O-CB 3.5Å; A315-L319 PolarHBondContact O-N 3.44Å; A315-L319 VanDerWaalsContact O-N 3.14Å
316	K	59.3	Low	49.4	Very low	164 Å²	164	128.7 Å²	128.7	71%	0.713	68%	0.68	S	S	*	*	H	α-helix	trans	-64	-36.1	175.1	-175.2	-179.8	177.8	-176.3	0	112.8	T314 W320	T314-K316 PolarHBondContact O-N 3.35Å; T314-K316 VanDerWaalsContact O-N 3.07Å; K316-W320 PolarHBondContact O-N 3.16Å
317	E	62.5	Low	49.7	Very low	81 Å²	81	125.4 Å²	125.4	38%	0.379	68%	0.676	S	S	.	*	H	α-helix	trans	-71.6	-42.5	179.5	-164.6	-171.5	166	0	0	110.8	R313 T314 A315 W320 V321	R313-E317 WeakPolarHBondContact CG-OE2 3.28Å; R313-E317 IonicContact CZ-OE1 3.14Å; R313-E317 IonicContact NE-OE1 2.87Å; R313-E317 PolarHBondContact NE-OE1 2.88Å; R313-E317 IonicContact NE-OE2 3.63Å; R313-E317 IonicContact NH2-OE1 2.94Å; R313-E317 PolarHBondContact NH2-OE1 2.72Å; R313-E317 VanDerWaalsContact NH2-OE1 3.15Å; T314-E317 VanDerWaalsContact O-CB 3.32Å; T314-E317 WeakPolarHBondContact O-CB 3.07Å; T314-E317 PolarHBondContact O-N 2.77Å; A315-E317 VanDerWaalsContact C-N 3.34Å; A315-E317 PolarHBondContact O-N 2.7Å; E317-W320 PolarHBondContact O-N 2.97Å; E317-V321 PolarHBondContact O-N 2.75Å
318	Q	65.4	Low	50	Low	96 Å²	96	130.1 Å²	130.1	45%	0.449	68%	0.677	S	S	.	*	H	α-helix	trans	-60.7	-46	176	-164.7	71.7	11.8	0	0	111.7	T314 A315 W320 V321 D322	T314-Q318 PolarHBondContact O-N 3.15Å; A315-Q318 PolarHBondContact O-N 2.94Å; Q318-W320 PolarHBondContact O-N 3.16Å; Q318-V321 PolarHBondContact O-N 3.44Å; Q318-V321 VanDerWaalsContact O-N 3.11Å; Q318-D322 PolarHBondContact O-N 3.02Å
319	L	62.2	Low	50	Low	102 Å²	102	132.6 Å²	132.6	53%	0.534	68%	0.681	S	S	.	*	H	α-helix	trans	-62.6	-30.7	179.8	-150.9	168.7	0	0	0	112.1	A315 Q323	A315-L319 WeakPolarHBondContact O-CB 3.5Å; A315-L319 PolarHBondContact O-N 3.44Å; A315-L319 VanDerWaalsContact O-N 3.14Å; L319-Q323 HydrophobicContact CD2-CG 4.29Å; L319-Q323 PolarHBondContact O-N 2.83Å
320	W	54.6	Low	49.8	Very low	171 Å²	171	134.4 Å²	134.4	65%	0.648	69%	0.685	S	S	*	*	H	α-helix	trans	-71.3	-34.2	176	-152.8	-73.7	0	0	0	112.7	K316 E317 Q318	K316-W320 PolarHBondContact O-N 3.16Å; E317-W320 PolarHBondContact O-N 2.97Å; Q318-W320 PolarHBondContact O-N 3.16Å
321	V	66.6	Low	50	Low	66 Å²	66	133.5 Å²	133.5	40%	0.4	68%	0.682	S	S	.	*	H	α-helix	trans	-69.6	-42.6	176.2	174.5	0	0	0	0	111.1	E317 Q318 Q323 Q324	E317-V321 PolarHBondContact O-N 2.75Å; Q318-V321 PolarHBondContact O-N 3.44Å; Q318-V321 VanDerWaalsContact O-N 3.11Å; V321-Q323 VanDerWaalsContact C-N 3.34Å; V321-Q323 PolarHBondContact O-N 2.87Å; V321-Q324 PolarHBondContact O-N 3.21Å
322	D	53.5	Low	49.6	Very low	107 Å²	107	138.7 Å²	138.7	57%	0.572	69%	0.685	S	S	*	*	H	α-helix	trans	-68.2	-31.2	-178.7	-72.6	-28.1	0	0	0	112.8	Q318 Q324 K325	Q318-D322 PolarHBondContact O-N 3.02Å; D322-Q324 VanDerWaalsContact C-N 3.27Å; D322-Q324 PolarHBondContact O-N 2.93Å; D322-K325 PolarHBondContact O-N 2.98Å
323	Q	54.6	Low	48.7	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.692	69%	0.687	S	S	*	*	H	α-helix	trans	-66.5	-23.1	176.1	-78.8	-171.2	54.3	0	0	114.2	L319 V321	L319-Q323 HydrophobicContact CD2-CG 4.29Å; L319-Q323 PolarHBondContact O-N 2.83Å; V321-Q323 VanDerWaalsContact C-N 3.34Å; V321-Q323 PolarHBondContact O-N 2.87Å
324	Q	46.9	Very low	47.1	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-5	-177.5	-66.4	-164.8	-9.1	0	0	114.5	V321 D322 K326	V321-Q324 PolarHBondContact O-N 3.21Å; D322-Q324 VanDerWaalsContact C-N 3.27Å; D322-Q324 PolarHBondContact O-N 2.93Å; Q324-K326 PolarHBondContact O-N 2.62Å
325	K	44.8	Very low	46.7	Very low	174 Å²	174	140.9 Å²	140.9	76%	0.757	71%	0.707	S	S	*	*			trans	-100.7	59.4	-180	-76.8	-172.2	173.7	178.8	0	113.6	D322	D322-K325 PolarHBondContact O-N 2.98Å
326	K	40.4	Very low	45.3	Very low	187 Å²	187	144.9 Å²	144.9	81%	0.813	72%	0.715	S	S	*	*			trans	-144.3	101.3	173.4	-148.1	168.9	-169.9	173.3	0	112.9	Q324	Q324-K326 PolarHBondContact O-N 2.62Å
327	P	37	Very low	43.8	Very low	130 Å²	130	141.9 Å²	141.9	84%	0.844	71%	0.714	S	S	*	*			trans	-74.6	147.4	177.8	30.7	-34.1	0	0	0	111.9
328	Q	33.9	Very low	42.3	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	73%	0.727	S	S	*	*			trans	-105.8	141.3	173.5	-68.9	-178.7	-30.4	0	0	111.1
329	N	32.7	Very low	40.7	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	75%	0.748	S	S	*	*			trans	-166.9	162	137.2	-101	-40.7	0	0	0	111.5
330	L	32.3	Very low	39.1	Very low	160 Å²	160	147.9 Å²	147.9	84%	0.838	77%	0.765	S	S	*	*			trans	-106.4	-176.4	-169.1	-113.8	67	0	0	0	111.5
331	P	41.7	Very low	37.9	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	77%	0.774	S	S	*	*			cis	-136.9	170.2	3.6	35.1	-13.7	0	0	0	118.7
332	Q	32.3	Very low	36.3	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	79%	0.794	S	S	*	*			trans	18.3	120.6	151.7	-64.3	-175.6	-17.3	0	0	122.7
333	R	25.1	Very low	35.3	Very low	246 Å²	246	150.6 Å²	150.6	93%	0.928	81%	0.805	S	S	*	*				-171	164.7	111.2	-116.2	-178.5	176.8	176.4	-0.7	112.9
334	T	26.2	Very low	34.7	Very low	130 Å²	130	152.1 Å²	152.1	80%	0.798	81%	0.809	S	S	*	*			trans	-135.9	169	170.3	48.1	0	0	0	0	109.3
335	P	53.3	Low	34	Very low	112 Å²	112	150.1 Å²	150.1	73%	0.727	81%	0.812	S	S	*	*			cis	-121.1	179.5	-35.4	37.9	-25.2	0	0	0	111.1
336	I	26.4	Very low	33.6	Very low	171 Å²	171	150.4 Å²	150.4	88%	0.877	82%	0.821	S	S	*	*			trans	-179.2	154.2	139.6	-97.9	157.7	0	0	0	113.4
337	S	28.1	Very low	33.1	Very low	100 Å²	100	145.3 Å²	145.3	70%	0.699	82%	0.822	S	S	*	*			trans	-42.6	163.2	-177.3	-153	0	0	0	0	122.6
338	S	30.6	Very low	33	Very low	92 Å²	92	144 Å²	144	64%	0.643	82%	0.822	S	S	*	*			trans	93.3	127.8	135.4	-74.4	0	0	0	0	123.5
339	Y	31.4	Very low	32.8	Very low	227 Å²	227	139 Å²	139	89%	0.89	82%	0.818	S	S	*	*			trans	60	105.7	144.6	-80.5	-98.9	0	0	0	122.1
340	G	29.5	Very low	32.9	Very low	86 Å²	86	142.9 Å²	142.9	89%	0.887	82%	0.821	S	S	*	*				61.7	109.3	113.9	0	0	0	0	0	121
341	G	27.7	Very low	33.2	Very low	82 Å²	82	140.7 Å²	140.7	85%	0.845	82%	0.819	S	S	*	*			trans	-151.7	131.8	165.9	0	0	0	0	0	113.1
342	V	33.2	Very low	33	Very low	134 Å²	134	147.1 Å²	147.1	81%	0.812	83%	0.828	S	S	*	*			trans	-112.2	142.3	-174.4	177.4	0	0	0	0	111.4
343	K	33.9	Very low	33	Very low	185 Å²	185	141.7 Å²	141.7	80%	0.804	82%	0.821	S	S	*	*			trans	143.7	143	157.3	-82.7	150.1	-163.1	169.6	0	110
344	K	40.2	Very low	33.9	Very low	181 Å²	181	135.1 Å²	135.1	79%	0.787	81%	0.811	S	S	*	*			cis	-143.4	140	-9.9	-78.6	133.5	177.5	-175.2	0	105.6
345	S	33.3	Very low	34.1	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	82%	0.816	S	S	*	*				48.7	95.9	79.2	-162.6	0	0	0	0	116
346	L	36.6	Very low	33.2	Very low	180 Å²	180	137.3 Å²	137.3	94%	0.942	82%	0.821	S	S	*	*			trans	-130.4	145	138.5	-73.9	178.7	0	0	0	106.1
347	G	28.9	Very low	33.8	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	82%	0.823	S	S	*	*			trans	-153.9	158.6	-174.2	0	0	0	0	0	114
348	A	34.8	Very low	34.4	Very low	103 Å²	103	143.3 Å²	143.3	85%	0.851	83%	0.828	S	S	*	*			trans	-136.7	122.2	171.6	0	0	0	0	0	109.3
349	G	31.3	Very low	35	Very low	74 Å²	74	144.8 Å²	144.8	76%	0.763	83%	0.833	S	S	*	*			trans	-88.2	-178.9	159.2	0	0	0	0	0	109.9
350	R	34.8	Very low	35.2	Very low	250 Å²	250	138.7 Å²	138.7	94%	0.943	82%	0.822	S	S	*	*			cis	-140.3	169.9	9.4	-61.2	-177	179.3	-159.6	-0.2	106.8
351	S	37.6	Very low	35.7	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	82%	0.817	S	S	*	*			cis	-166.2	159.5	47.6	55.4	0	0	0	0	113.8
352	R	37.3	Very low	36.3	Very low	246 Å²	246	143 Å²	143	93%	0.928	82%	0.816	S	S	*	*			trans	-141.8	148.1	156.8	-76.6	-167.2	173.8	-177.4	-2.3	108.9
353	G	32.2	Very low	36.4	Very low	69 Å²	69	142.6 Å²	142.6	71%	0.711	82%	0.816	S	S	*	*			trans	-77.9	179.3	-179.7	0	0	0	0	0	114.3
354	P	44	Very low	36.2	Very low	108 Å²	108	143.8 Å²	143.8	70%	0.701	82%	0.822	S	S	*	*	S	Bend	trans	-81.6	-177	-174.2	34.8	-37.1	0	0	0	114.1
355	F	31.8	Very low	35.7	Very low	208 Å²	208	143.5 Å²	143.5	91%	0.912	82%	0.823	S	S	*	*			trans	76.9	118.8	-176.9	-51	-71.6	0	0	0	114.9
356	G	32.5	Very low	35.6	Very low	81 Å²	81	145 Å²	145	84%	0.835	82%	0.822	S	S	*	*			trans	159.8	32.5	-175.1	0	0	0	0	0	116.7
357	K	41	Very low	35.2	Very low	210 Å²	210	140.4 Å²	140.4	91%	0.913	82%	0.819	S	S	*	*			trans	-136.3	112.5	166.6	-75.6	-169.3	177	-175.5	0	109.4
358	F	40.1	Very low	35.4	Very low	186 Å²	186	143.3 Å²	143.3	82%	0.816	82%	0.815	S	S	*	*			trans	-121.3	130.4	174.1	179.7	-105.3	0	0	0	108.5	P360	F358-P360 HydrophobicContact CE1-CG 3.97Å
359	V	43.5	Very low	35.2	Very low	123 Å²	123	146.7 Å²	146.7	75%	0.745	81%	0.813	S	S	*	*			trans	-139	117.7	179.7	179.8	0	0	0	0	107.2
360	P	35.3	Very low	35.1	Very low	99 Å²	99	150.6 Å²	150.6	64%	0.643	82%	0.817	S	S	*	*			trans	-67.8	138.8	177.1	-21.6	34.1	0	0	0	112.8	F358	F358-P360 HydrophobicContact CE1-CG 3.97Å
361	P	39.8	Very low	34.8	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	81%	0.811	S	S	*	*			trans	-103.2	126.2	-178.4	35.8	-30.6	0	0	0	113.9
362	V	39.4	Very low	34.3	Very low	138 Å²	138	140.6 Å²	140.6	84%	0.836	81%	0.809	S	S	*	*			trans	-143.7	135	160.6	-177	0	0	0	0	107
363	P	36.2	Very low	33.9	Very low	125 Å²	125	133.7 Å²	133.7	81%	0.812	81%	0.805	S	S	*	*			trans	-81.4	163.5	-164.5	31.8	-36.9	0	0	0	115
364	K	30	Very low	33.8	Very low	211 Å²	211	138.7 Å²	138.7	92%	0.917	81%	0.81	S	S	*	*			trans	-125.6	128.3	165.1	-81.5	-168.5	173	-170.6	0	110.4
365	Q	29	Very low	33	Very low	174 Å²	174	138.6 Å²	138.6	81%	0.813	81%	0.81	S	S	*	*			trans	-170.3	143.2	169.1	-162.8	-175.3	7.6	0	0	106.6
366	D	31.6	Very low	33.1	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	81%	0.81	S	S	*	*			cis	-141.2	159.7	-33.8	-94.3	-31.5	0	0	0	105.6
367	G	28.8	Very low	33.2	Very low	84 Å²	84	140.3 Å²	140.3	87%	0.866	81%	0.807	S	S	*	*			trans	162	111.3	174.3	0	0	0	0	0	114.9
368	N	31.9	Very low	33.5	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	80%	0.799	S	S	*	*			trans	-107.3	132.2	170.8	159.9	80.1	0	0	0	109.1
369	E	31.1	Very low	32.9	Very low	174 Å²	174	134.1 Å²	134.1	81%	0.813	80%	0.804	S	S	*	*			trans	-168.9	170.8	134.8	-112.8	169.8	-165.2	0	0	115
370	N	29.7	Very low	32.5	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	81%	0.812	S	S	*	*			trans	-71.8	162.9	-167.5	-63.9	-67	0	0	0	115.3
371	G	28.1	Very low	32.1	Very low	81 Å²	81	138 Å²	138	84%	0.835	81%	0.811	S	S	*	*			trans	150.1	116.3	154.3	0	0	0	0	0	114.3
372	G	26.8	Very low	32	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	82%	0.815	S	S	*	*			trans	-111	173.8	171.5	0	0	0	0	0	112.6
373	A	29.7	Very low	31.6	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	81%	0.811	S	S	*	*			trans	73.3	149.4	-174.7	0	0	0	0	0	114
374	Q	30.1	Very low	31.3	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.813	81%	0.813	S	S	*	*			cis	-154.9	176.7	0.9	-140.7	175.5	19.2	0	0	111.7
375	C	26	Very low	31.7	Very low	106 Å²	106	134.5 Å²	134.5	72%	0.716	80%	0.804	S	S	*	*			trans	62.1	115.6	154.7	-64.3	0	0	0	0	120.6
376	K	35.4	Very low	32.2	Very low	207 Å²	207	131.6 Å²	131.6	90%	0.9	80%	0.804	S	S	*	*			trans	-111.8	137.2	144.8	-71.7	-176.8	175.5	-178.1	0	107.6
377	P	34.3	Very low	32.8	Very low	118 Å²	118	130.2 Å²	130.2	77%	0.766	80%	0.795	S	S	*	*				-143.6	-155.7	108.6	40.3	-21.8	0	0	0	111.3
378	P	46.8	Very low	33.5	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	79%	0.791	S	S	*	*				-133.1	145.1	-92.1	39.4	-22.2	0	0	0	115.8
379	T	28.1	Very low	34.5	Very low	150 Å²	150	130.1 Å²	130.1	92%	0.92	79%	0.785	S	S	*	*			trans	-138.1	145.8	159.5	-49.7	0	0	0	0	111
380	R	34.6	Very low	36.2	Very low	243 Å²	243	125.2 Å²	125.2	92%	0.917	76%	0.764	S	S	*	*			trans	-100.1	115.9	-171.2	-176.9	-175.5	-170.9	177.7	2.5	110.4
381	G	27	Very low	38	Very low	60 Å²	60	124.5 Å²	124.5	62%	0.619	76%	0.756	S	S	*	*			trans	-112.4	149.1	163.5	0	0	0	0	0	109.8	A383	G381-A383 PolarHBondContact O-N 3.26Å
382	P	36.8	Very low	40.1	Very low	134 Å²	134	127.5 Å²	127.5	87%	0.87	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.5	-175.4	28.5	-33.7	0	0	0	111.1
383	A	30.8	Very low	42.6	Very low	91 Å²	91	125 Å²	125	75%	0.752	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-71.6	141.3	160.4	0	0	0	0	0	108.7	G381	G381-A383 PolarHBondContact O-N 3.26Å
384	E	31.1	Very low	44.7	Very low	184 Å²	184	126 Å²	126	86%	0.86	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-58.9	138	162.8	-66.5	-174.4	137.4	0	0	108.8	S386	E384-S386 PolarHBondContact O-N 3.17Å
385	P	37.2	Very low	47.1	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	70%	0.699	S	S	*	*			trans	-70.5	99	176.9	29.2	-32.8	0	0	0	108.8	L387	P385-L387 PolarHBondContact O-N 3.06Å
386	S	39.7	Very low	49.9	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	67%	0.673	S	S	*	*			trans	-55.7	105.3	163.2	57.8	0	0	0	0	107.6	E384	E384-S386 PolarHBondContact O-N 3.17Å
387	L	44.7	Very low	52.4	Low	115 Å²	115	116.8 Å²	116.8	60%	0.602	65%	0.653	S	S	*	*			trans	-52.1	137.9	-174.7	-69.8	170.5	0	0	0	109.6	P385 V389 M405	P385-L387 PolarHBondContact O-N 3.06Å; L387-V389 PolarHBondContact O-N 3.42Å; L387-M405 HydrophobicContact CD1-CE 4.16Å
388	P	42.9	Very low	54.9	Low	120 Å²	120	115.3 Å²	115.3	78%	0.779	64%	0.643	S	S	*	*			trans	-63.2	103	176.1	26.3	-32.8	0	0	0	108.4	D390	P388-D390 VanDerWaalsContact C-N 3.34Å; P388-D390 PolarHBondContact O-N 3.03Å
389	V	54.6	Low	56.9	Low	102 Å²	102	117.9 Å²	117.9	62%	0.618	64%	0.642	S	S	*	*			trans	-70.4	95.8	-178.8	-177.4	0	0	0	0	108.4	L387	L387-V389 PolarHBondContact O-N 3.42Å
390	D	65.8	Low	59.7	Low	71 Å²	71	111.6 Å²	111.6	38%	0.38	60%	0.603	S	S	.	*			trans	-48.8	140	-179	-133.3	-37.6	0	0	0	111.1	P388 R392 L393 C508	P388-D390 VanDerWaalsContact C-N 3.34Å; P388-D390 PolarHBondContact O-N 3.03Å; D390-R392 PolarHBondContact O-N 3.39Å; D390-L393 HydrophobicContact CB-CD1 4.04Å; D390-L393 HydrophobicContact CB-CG 4.12Å; D390-L393 PolarHBondContact O-N 2.89Å; D390-C508 WeakPolarHBondContact OD2-CB 3.26Å
391	E	68	Low	62.3	Low	141 Å²	141	101 Å²	101	66%	0.659	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-60.9	-28.2	-173.3	-59.2	-141.2	104.5	0	0	112.4	L393 K394	E391-L393 PolarHBondContact O-N 2.85Å; E391-K394 HydrophobicContact CB-CD 4.39Å; E391-K394 PolarHBondContact O-N 3.42Å; E391-K394 IonicContact OE1-NZ 2.66Å; E391-K394 PolarHBondContact OE1-NZ 3.14Å
392	R	71.8	Confident	65.3	Low	145 Å²	145	103 Å²	103	55%	0.547	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-65.1	-22.7	175.6	-62.4	174	175.4	-168.5	-5.4	113.4	D390 R507	D390-R392 PolarHBondContact O-N 3.39Å; R392-R507 PolarHBondContact NH1-O 2.83Å
393	L	78.8	Confident	67.9	Low	20 Å²	20	98.4 Å²	98.4	11%	0.105	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-99	-11.1	-176.6	-57.8	177.7	0	0	0	113.5	D390 E391 N395 I396 V401 A504 V505	D390-L393 HydrophobicContact CB-CD1 4.04Å; D390-L393 HydrophobicContact CB-CG 4.12Å; D390-L393 PolarHBondContact O-N 2.89Å; E391-L393 PolarHBondContact O-N 2.85Å; L393-N395 PolarHBondContact O-N 2.79Å; L393-I396 HydrophobicContact CD2-CD1 4.23Å; L393-I396 WeakPolarHBondContact O-CB 3.38Å; L393-I396 PolarHBondContact O-N 3.33Å; L393-V401 HydrophobicContact CD1-CG1 4.14Å; L393-V401 HydrophobicContact CD2-CG2 4.47Å; L393-A504 HydrophobicContact CD2-CB 3.96Å; L393-V505 HydrophobicContact CD2-CG2 3.91Å
394	K	74.3	Confident	70.7	Confident	121 Å²	121	94 Å²	94	53%	0.526	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.1	-176.3	-68.9	177.4	177.3	179.3	0	115.2	E391	E391-K394 HydrophobicContact CB-CD 4.39Å; E391-K394 PolarHBondContact O-N 3.42Å; E391-K394 IonicContact OE1-NZ 2.66Å; E391-K394 PolarHBondContact OE1-NZ 3.14Å
395	N	80.3	Confident	73.5	Confident	161 Å²	161	87.3 Å²	87.3	86%	0.861	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	9.3	179.2	-63	-37.5	0	0	0	113.4	L393	L393-N395 PolarHBondContact O-N 2.79Å
396	I	85.5	Confident	75.9	Confident	34 Å²	34	89.2 Å²	89.2	17%	0.174	46%	0.458	C	S	.	.	S	Bend	trans	-122.9	140.4	-170.2	-50.7	-172.4	0	0	0	108.7	L393 P398 M400 V401 A501 A504	L393-I396 HydrophobicContact CD2-CD1 4.23Å; L393-I396 WeakPolarHBondContact O-CB 3.38Å; L393-I396 PolarHBondContact O-N 3.33Å; I396-P398 WeakPolarHBondContact O-CD 3.43Å; I396-M400 HydrophobicContact CG2-CE 3.57Å; I396-V401 HydrophobicContact CB-CG2 4.34Å; I396-V401 HydrophobicContact CG2-CG2 3.94Å; I396-A501 HydrophobicContact CG2-CB 3.65Å; I396-A504 HydrophobicContact CD1-CB 3.33Å
397	E	87.4	Confident	78.1	Confident	100 Å²	100	88.7 Å²	88.7	47%	0.467	44%	0.443	S	S	.	.			trans	-65.7	121	-176.8	-67	178	-130.5	0	0	110.6	K399 M400 V401 K497	E397-K399 VanDerWaalsContact C-N 3.28Å; E397-K399 PolarHBondContact O-N 3.26Å; E397-K399 VanDerWaalsContact O-N 3.15Å; E397-M400 HydrophobicContact CB-CE 4.49Å; E397-M400 WeakPolarHBondContact O-CB 3.28Å; E397-M400 PolarHBondContact O-N 2.8Å; E397-V401 PolarHBondContact O-N 2.61Å; E397-K497 WeakPolarHBondContact OE1-CE 3.43Å; E397-K497 IonicContact OE1-NZ 3.79Å; E397-K497 PolarHBondContact OE1-NZ 3.02Å
398	P	87.4	Confident	80.1	Confident	87 Å²	87	83.7 Å²	83.7	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-55.5	-39.2	-170.2	-30.8	36.4	0	0	0	114.3	I396 M400 V401 E402	I396-P398 WeakPolarHBondContact O-CD 3.43Å; P398-M400 PolarHBondContact O-N 3.09Å; P398-M400 VanDerWaalsContact O-N 3.14Å; P398-V401 WeakPolarHBondContact O-CA 3.27Å; P398-V401 WeakPolarHBondContact O-CB 3.49Å; P398-V401 PolarHBondContact O-N 2.64Å; P398-E402 WeakPolarHBondContact O-CG 3.48Å; P398-E402 PolarHBondContact O-N 3.49Å
399	K	88.3	Confident	82.2	Confident	169 Å²	169	79.2 Å²	79.2	74%	0.735	39%	0.386	S	S	*	.	H	α-helix	trans	-55	-32.4	175.9	-62.7	-177.8	178.1	-177.6	0	113.9	E397 L403	E397-K399 VanDerWaalsContact C-N 3.28Å; E397-K399 PolarHBondContact O-N 3.26Å; E397-K399 VanDerWaalsContact O-N 3.15Å; K399-L403 VanDerWaalsContact O-CB 3.29Å; K399-L403 WeakPolarHBondContact O-CB 3.38Å; K399-L403 PolarHBondContact O-N 3.23Å
400	M	87.7	Confident	83.9	Confident	18 Å²	18	76.8 Å²	76.8	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-80.2	-32.6	179.1	-176.2	170	50.6	0	0	111.2	I396 E397 P398 I404 K497 M498 A501	I396-M400 HydrophobicContact CG2-CE 3.57Å; E397-M400 HydrophobicContact CB-CE 4.49Å; E397-M400 WeakPolarHBondContact O-CB 3.28Å; E397-M400 PolarHBondContact O-N 2.8Å; P398-M400 PolarHBondContact O-N 3.09Å; P398-M400 VanDerWaalsContact O-N 3.14Å; M400-I404 HydrophobicContact CG-CD1 4.28Å; M400-I404 VanDerWaalsContact O-CD1 3.31Å; M400-I404 WeakPolarHBondContact O-CD1 3.14Å; M400-I404 VanDerWaalsContact O-CG1 3.24Å; M400-I404 WeakPolarHBondContact O-CG1 3.36Å; M400-I404 PolarHBondContact O-N 3.17Å; M400-K497 HydrophobicContact CE-CB 3.76Å; M400-K497 VanDerWaalsContact SD-C 3.59Å; M400-K497 HydrophobicContact SD-CB 3.8Å; M400-M498 HydrophobicContact CG-CE 3.68Å; M400-M498 HydrophobicContact CG-SD 3.8Å; M400-M498 VanDerWaalsContact SD-CA 3.59Å; M400-M498 HydrophobicContact SD-CB 4.3Å; M400-M498 HydrophobicContact SD-CE 4.04Å; M400-M498 HydrophobicContact SD-SD 4.23Å; M400-A501 HydrophobicContact CE-CB 3.64Å; M400-A501 HydrophobicContact CG-CB 3.87Å; M400-A501 HydrophobicContact SD-CB 3.86Å
401	V	89.3	Confident	84.7	Confident	20 Å²	20	80.4 Å²	80.4	12%	0.121	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-48.2	170	176.2	0	0	0	0	110.4	L393 I396 E397 P398 L403 I404 M405 V505	L393-V401 HydrophobicContact CD1-CG1 4.14Å; L393-V401 HydrophobicContact CD2-CG2 4.47Å; I396-V401 HydrophobicContact CB-CG2 4.34Å; I396-V401 HydrophobicContact CG2-CG2 3.94Å; E397-V401 PolarHBondContact O-N 2.61Å; P398-V401 WeakPolarHBondContact O-CA 3.27Å; P398-V401 WeakPolarHBondContact O-CB 3.49Å; P398-V401 PolarHBondContact O-N 2.64Å; V401-L403 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 3.33Å; V401-I404 PolarHBondContact O-N 2.94Å; V401-M405 HydrophobicContact CG1-SD 4.04Å; V401-M405 WeakPolarHBondContact O-CG 3.38Å; V401-M405 PolarHBondContact O-N 3.16Å; V401-V505 HydrophobicContact CB-CG2 4.48Å; V401-V505 HydrophobicContact CG1-CG2 3.98Å; V401-V505 HydrophobicContact CG2-CG2 4.29Å
402	E	89.8	Confident	85.1	Confident	104 Å²	104	75.4 Å²	75.4	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-54.3	-48.2	173.5	-70.2	159.3	-163.1	0	0	111	P398 I404 M405 H406	P398-E402 WeakPolarHBondContact O-CG 3.48Å; P398-E402 PolarHBondContact O-N 3.49Å; E402-I404 PolarHBondContact O-N 3.45Å; E402-M405 PolarHBondContact O-N 2.94Å; E402-H406 WeakPolarHBondContact O-CB 3.35Å; E402-H406 PolarHBondContact O-CD2 2.91Å; E402-H406 PolarHBondContact O-N 2.84Å
403	L	89.9	Confident	85.7	Confident	36 Å²	36	73.8 Å²	73.8	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.6	-174.3	113.8	0	0	0	112.7	K399 V401 M405 H406 E407 W491 M498	K399-L403 VanDerWaalsContact O-CB 3.29Å; K399-L403 WeakPolarHBondContact O-CB 3.38Å; K399-L403 PolarHBondContact O-N 3.23Å; V401-L403 VanDerWaalsContact C-N 3.33Å; V401-L403 PolarHBondContact O-N 3.33Å; L403-M405 VanDerWaalsContact C-N 3.3Å; L403-M405 PolarHBondContact O-N 3.15Å; L403-H406 PolarHBondContact O-N 3.36Å; L403-E407 HydrophobicContact CD1-CG 4.14Å; L403-E407 HydrophobicContact CG-CB 4.43Å; L403-E407 HydrophobicContact CG-CG 4.09Å; L403-E407 WeakPolarHBondContact O-CB 3.46Å; L403-E407 PolarHBondContact O-N 3.38Å; L403-W491 HydrophobicContact CD1-CH2 3.5Å; L403-W491 HydrophobicContact CD1-CZ2 3.78Å; L403-W491 HydrophobicContact CD2-CH2 3.71Å; L403-W491 HydrophobicContact CD2-CZ2 3.32Å; L403-W491 HydrophobicContact CG-CH2 4.26Å; L403-W491 HydrophobicContact CG-CZ2 4.16Å; L403-M498 HydrophobicContact CD2-CE 3.56Å; L403-M498 HydrophobicContact CD2-SD 4.16Å
404	I	91.3	Very high	86.2	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.404	C	S	.	.	I	π-helix	trans	-63.3	-39	176.1	-69.9	157.9	0	0	0	111.1	M400 V401 E402 H406 I408 M409 F480 M498 A501 L502 V505	M400-I404 HydrophobicContact CG-CD1 4.28Å; M400-I404 VanDerWaalsContact O-CD1 3.31Å; M400-I404 WeakPolarHBondContact O-CD1 3.14Å; M400-I404 VanDerWaalsContact O-CG1 3.24Å; M400-I404 WeakPolarHBondContact O-CG1 3.36Å; M400-I404 PolarHBondContact O-N 3.17Å; V401-I404 PolarHBondContact O-N 2.94Å; E402-I404 PolarHBondContact O-N 3.45Å; I404-H406 VanDerWaalsContact C-N 3.34Å; I404-I408 HydrophobicContact CB-CD1 4.48Å; I404-I408 HydrophobicContact CG1-CD1 3.9Å; I404-I408 HydrophobicContact CG2-CB 4.48Å; I404-I408 PolarHBondContact O-N 3.23Å; I404-M409 PolarHBondContact O-N 3.16Å; I404-F480 HydrophobicContact CG2-CD1 4.12Å; I404-F480 HydrophobicContact CG2-CE1 3.98Å; I404-M498 HydrophobicContact CD1-SD 4Å; I404-M498 HydrophobicContact CG1-SD 3.89Å; I404-A501 VanDerWaalsContact CD1-C 3.49Å; I404-A501 HydrophobicContact CD1-CB 3.43Å; I404-A501 VanDerWaalsContact CD1-CB 3.43Å; I404-L502 HydrophobicContact CD1-CB 4.39Å; I404-L502 HydrophobicContact CG2-CD1 4.02Å; I404-V505 HydrophobicContact CD1-CG2 4.43Å; I404-V505 HydrophobicContact CG2-CB 4.09Å; I404-V505 HydrophobicContact CG2-CG1 4.01Å; I404-V505 HydrophobicContact CG2-CG2 4.29Å
405	M	88.9	Confident	87	Confident	43 Å²	43	72.8 Å²	72.8	21%	0.212	38%	0.384	C	S	.	.	I	π-helix	trans	-73.6	-20.6	178.7	-68.9	-177.6	66.5	0	0	113.9	L387 V401 E402 L403 M409 V505	L387-M405 HydrophobicContact CD1-CE 4.16Å; V401-M405 HydrophobicContact CG1-SD 4.04Å; V401-M405 WeakPolarHBondContact O-CG 3.38Å; V401-M405 PolarHBondContact O-N 3.16Å; E402-M405 PolarHBondContact O-N 2.94Å; L403-M405 VanDerWaalsContact C-N 3.3Å; L403-M405 PolarHBondContact O-N 3.15Å; M405-M409 HydrophobicContact CG-CE 4.31Å; M405-V505 HydrophobicContact CG-CG1 4.27Å
406	H	87.4	Confident	87.6	Confident	153 Å²	153	68.5 Å²	68.5	71%	0.708	36%	0.362	S	S	*	.	I	π-helix	trans	-108.5	-32.1	-178.6	-68.6	-50	0	0	0	115.5	E402 L403 I404	E402-H406 WeakPolarHBondContact O-CB 3.35Å; E402-H406 PolarHBondContact O-CD2 2.91Å; E402-H406 PolarHBondContact O-N 2.84Å; L403-H406 PolarHBondContact O-N 3.36Å; I404-H406 VanDerWaalsContact C-N 3.34Å
407	E	85.5	Confident	87.9	Confident	102 Å²	102	67.7 Å²	67.7	48%	0.477	36%	0.356	S	S	.	.	I	π-helix	trans	-100.2	-30.8	179.3	-66.4	-164.2	155.6	0	0	113.8	L403 K490	L403-E407 HydrophobicContact CD1-CG 4.14Å; L403-E407 HydrophobicContact CG-CB 4.43Å; L403-E407 HydrophobicContact CG-CG 4.09Å; L403-E407 WeakPolarHBondContact O-CB 3.46Å; L403-E407 PolarHBondContact O-N 3.38Å; E407-K490 IonicContact OE1-NZ 3.51Å; E407-K490 PolarHBondContact OE1-NZ 3.44Å; E407-K490 IonicContact OE2-NZ 2.71Å; E407-K490 PolarHBondContact OE2-NZ 3.44Å
408	I	86.4	Confident	88	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.051	36%	0.363	C	S	.	.	I	π-helix	trans	-109.3	-33.9	-167.9	-63.5	160.6	0	0	0	111.9	I404 D410 F480 S481 I482 M498 L502	I404-I408 HydrophobicContact CB-CD1 4.48Å; I404-I408 HydrophobicContact CG1-CD1 3.9Å; I404-I408 HydrophobicContact CG2-CB 4.48Å; I404-I408 PolarHBondContact O-N 3.23Å; I408-D410 PolarHBondContact O-N 3.45Å; I408-F480 HydrophobicContact CG2-CB 4.04Å; I408-F480 HydrophobicContact CG2-CD1 4.26Å; I408-F480 CarbonylContact O-C 3.47Å; I408-F480 WeakPolarHBondContact O-CA 3.28Å; I408-S481 PolarHBondContact O-N 3.09Å; I408-I482 HydrophobicContact CD1-CD1 3.83Å; I408-I482 HydrophobicContact CG1-CD1 4.32Å; I408-I482 HydrophobicContact CG2-CB 4.2Å; I408-M498 HydrophobicContact CD1-SD 4.44Å; I408-L502 HydrophobicContact CG2-CD1 3.86Å
409	M	88.9	Confident	88	Confident	26 Å²	26	67.4 Å²	67.4	13%	0.128	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-71.8	125.5	171.5	-167.5	-179.8	-65.7	0	0	110.2	I404 M405 F480 Q509	I404-M409 PolarHBondContact O-N 3.16Å; M405-M409 HydrophobicContact CG-CE 4.31Å; M409-F480 HydrophobicContact CB-CD1 4.26Å; M409-F480 HydrophobicContact CB-CE1 4.18Å; M409-F480 HydrophobicContact CE-CE1 3.61Å; M409-F480 HydrophobicContact CE-CZ 3.65Å; M409-F480 HydrophobicContact CG-CE1 4.35Å; M409-Q509 HydrophobicContact CE-CG 3.87Å
410	D	88.6	Confident	88.2	Confident	51 Å²	51	60 Å²	60	27%	0.273	32%	0.322	S	S	.	.			trans	-85.1	132.6	-178.5	-176.3	31	0	0	0	111.4	I408 G412 K469 F479	I408-D410 PolarHBondContact O-N 3.45Å; D410-G412 PolarHBondContact OD1-N 3.04Å; D410-K469 IonicContact OD1-NZ 3.86Å; D410-K469 PolarHBondContact OD1-NZ 3.18Å; D410-K469 IonicContact OD2-NZ 3.45Å; D410-K469 PolarHBondContact OD2-NZ 3.49Å; D410-F479 HydrophobicContact CB-CB 4.18Å; D410-F479 HydrophobicContact CB-CD1 3.66Å; D410-F479 HydrophobicContact CB-CG 4.4Å; D410-F479 PolarHBondContact N-O 2.7Å; D410-F479 WeakPolarHBondContact OD2-CD1 3.4Å
411	H	83.4	Confident	88.3	Confident	148 Å²	148	60 Å²	60	69%	0.685	33%	0.325	S	S	*	.			trans	-118.9	16.7	174.1	-59	-27.7	0	0	0	111.6
412	G	77.2	Confident	88.3	Confident	35 Å²	35	59.3 Å²	59.3	36%	0.361	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66	170.4	177.8	0	0	0	0	0	114.3	D410	D410-G412 PolarHBondContact OD1-N 3.04Å
413	P	84.2	Confident	88.3	Confident	112 Å²	112	55.6 Å²	55.6	73%	0.727	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-63.6	147	179.1	27.8	-35.3	0	0	0	111.6
414	P	88.7	Confident	88.4	Confident	99 Å²	99	59.1 Å²	59.1	64%	0.643	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-65.6	141.4	-179.6	28	-35.1	0	0	0	111.6	C473	P414-C473 HydrophobicContact CB-CB 4.48Å
415	V	91.8	Very high	88.4	Confident	20 Å²	20	62.8 Å²	62.8	12%	0.121	34%	0.337	C	S	.	.			trans	-110.3	131.6	179.4	-176.8	0	0	0	0	109.4	D419 K469 C470 C473	V415-D419 HydrophobicContact CG1-CB 4.14Å; V415-K469 HydrophobicContact CB-CB 4.43Å; V415-K469 HydrophobicContact CG2-CB 4.02Å; V415-C470 HydrophobicContact CB-CB 4.23Å; V415-C470 HydrophobicContact CG1-CB 3.94Å; V415-C473 PolarHBondContact N-SG 2.88Å
416	N	92.1	Very high	88.6	Confident	71 Å²	71	61 Å²	61	38%	0.38	33%	0.329	S	S	.	.			trans	-101.2	164.1	-179.8	-64.6	-65.4	0	0	0	112.8	D418 D419 Q474	N416-D418 PolarHBondContact O-N 3.07Å; N416-D419 WeakPolarHBondContact CB-OD2 3.42Å; N416-D419 PolarHBondContact N-OD2 3.49Å; N416-D419 WeakPolarHBondContact O-CB 3.27Å; N416-D419 PolarHBondContact O-N 3.41Å; N416-Q474 PolarHBondContact OD1-NE2 2.85Å
417	W	90.9	Very high	88.9	Confident	17 Å²	17	54.9 Å²	54.9	6%	0.064	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.7	175.6	-76.7	115.4	0	0	0	113.6	I420 K427 I430 K431 V435 I471 Q474	W417-I420 HydrophobicContact CE3-CD1 4.17Å; W417-I420 HydrophobicContact CZ3-CD1 4.17Å; W417-K427 HydrophobicContact CE3-CB 4.22Å; W417-K427 HydrophobicContact CE3-CD 4.49Å; W417-K427 HydrophobicContact CE3-CG 3.8Å; W417-K427 HydrophobicContact CZ3-CB 4.25Å; W417-K427 HydrophobicContact CZ3-CG 3.91Å; W417-K427 WeakPolarHBondContact O-CE 3.41Å; W417-I430 HydrophobicContact CH2-CB 4.24Å; W417-I430 HydrophobicContact CH2-CG2 3.71Å; W417-I430 HydrophobicContact CZ2-CG2 4.18Å; W417-K431 VanDerWaalsContact CD2-CE 3.47Å; W417-K431 HydrophobicContact CZ2-CG 4.02Å; W417-K431 VanDerWaalsContact NE1-CE 3.28Å; W417-V435 HydrophobicContact CZ2-CG2 3.99Å; W417-I471 HydrophobicContact CH2-CG1 4.33Å; W417-Q474 VanDerWaalsContact CD1-CD 3.46Å; W417-Q474 HydrophobicContact CG-CG 4.44Å
418	D	89.9	Confident	89.2	Confident	113 Å²	113	52.7 Å²	52.7	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-34.7	178.8	-52.7	-56.8	0	0	0	111.6	N416 I420 R596	N416-D418 PolarHBondContact O-N 3.07Å; D418-I420 PolarHBondContact O-N 2.72Å; D418-R596 VanDerWaalsContact C-NH2 3.25Å; D418-R596 PolarHBondContact O-NH1 2.99Å; D418-R596 PolarHBondContact O-NH2 3.17Å
419	D	88	Confident	89.5	Confident	69 Å²	69	53 Å²	53	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.5	-177.1	-67.5	-51.9	0	0	0	112.4	V415 N416 R596	V415-D419 HydrophobicContact CG1-CB 4.14Å; N416-D419 WeakPolarHBondContact CB-OD2 3.42Å; N416-D419 PolarHBondContact N-OD2 3.49Å; N416-D419 WeakPolarHBondContact O-CB 3.27Å; N416-D419 PolarHBondContact O-N 3.41Å; D419-R596 PolarHBondContact O-NH1 2.87Å; D419-R596 VanDerWaalsContact O-NH1 3.08Å; D419-R596 IonicContact OD1-NE 3.71Å
420	I	91.4	Very high	89.8	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.067	30%	0.297	C	S	.	.	S	Bend	trans	-79.3	123.8	173.4	-60	157.1	0	0	0	109	W417 D418 V423 K427 I467 C470	W417-I420 HydrophobicContact CE3-CD1 4.17Å; W417-I420 HydrophobicContact CZ3-CD1 4.17Å; D418-I420 PolarHBondContact O-N 2.72Å; I420-V423 HydrophobicContact CG2-CG2 3.89Å; I420-K427 VanDerWaalsContact O-CE 3.27Å; I420-K427 WeakPolarHBondContact O-CE 3.32Å; I420-K427 PolarHBondContact O-NZ 3.33Å; I420-I467 HydrophobicContact CD1-CB 4.48Å; I420-I467 HydrophobicContact CD1-CG1 3.98Å; I420-I467 HydrophobicContact CG1-CG1 4.5Å; I420-I467 HydrophobicContact CG2-CG1 4.26Å; I420-C470 HydrophobicContact CD1-CB 3.59Å
421	A	91.4	Very high	90	Very high	19 Å²	19	52.9 Å²	52.9	16%	0.157	30%	0.299	C	S	.	.			trans	-87.8	142.7	176	0	0	0	0	0	112.7	A589 Q592 I593	A421-A589 HydrophobicContact CB-CB 4.16Å; A421-Q592 VanDerWaalsContact CA-OE1 3.28Å; A421-Q592 HydrophobicContact CB-CB 4.2Å; A421-Q592 HydrophobicContact CB-CG 4.35Å; A421-I593 HydrophobicContact CB-CD1 4.07Å; A421-I593 HydrophobicContact CB-CG1 3.57Å
422	G	89.3	Confident	90.5	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	29%	0.291	C	S	.	.	S	Bend	trans	61.7	-151.6	178.5	0	0	0	0	0	114.6	E424 K427	G422-E424 VanDerWaalsContact C-CD 3.4Å; G422-E424 VanDerWaalsContact C-N 3.29Å; G422-E424 WeakPolarHBondContact CA-OE1 3.2Å; G422-E424 VanDerWaalsContact CA-OE2 3.3Å; G422-E424 WeakPolarHBondContact CA-OE2 3.35Å; G422-E424 PolarHBondContact O-N 3.27Å; G422-K427 WeakPolarHBondContact O-CD 3.44Å; G422-K427 WeakPolarHBondContact O-CE 3.44Å; G422-K427 PolarHBondContact O-NZ 2.8Å
423	V	89.6	Confident	91.1	Very high	27 Å²	27	50.7 Å²	50.7	16%	0.164	28%	0.28	C	S	.	.			trans	53.8	39.5	176.6	-58.7	0	0	0	0	114.4	I420 F425 A426 K427 I467 I582 P583	I420-V423 HydrophobicContact CG2-CG2 3.89Å; V423-F425 VanDerWaalsContact C-N 3.31Å; V423-F425 PolarHBondContact O-N 2.96Å; V423-A426 HydrophobicContact CB-CB 4.29Å; V423-A426 PolarHBondContact O-N 3.34Å; V423-K427 HydrophobicContact CG2-CG 4.38Å; V423-K427 WeakPolarHBondContact O-CG 3.37Å; V423-K427 PolarHBondContact O-N 3.02Å; V423-I467 HydrophobicContact CG2-CD1 4.42Å; V423-I582 HydrophobicContact CG1-CG2 4.3Å; V423-P583 HydrophobicContact CG1-CG 4.48Å
424	E	91.4	Very high	91.5	Very high	110 Å²	110	45.4 Å²	45.4	51%	0.514	25%	0.245	S	C	.	.	H	α-helix	trans	-52.1	-43.4	-177	-74.8	55	-127.3	0	0	112.7	G422 K427 A428	G422-E424 VanDerWaalsContact C-CD 3.4Å; G422-E424 VanDerWaalsContact C-N 3.29Å; G422-E424 WeakPolarHBondContact CA-OE1 3.2Å; G422-E424 VanDerWaalsContact CA-OE2 3.3Å; G422-E424 WeakPolarHBondContact CA-OE2 3.35Å; G422-E424 PolarHBondContact O-N 3.27Å; E424-K427 PolarHBondContact O-N 3.24Å; E424-K427 IonicContact OE1-NZ 3.89Å; E424-A428 VanDerWaalsContact O-CB 3.32Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 3.03Å
425	F	91.6	Very high	91.7	Very high	77 Å²	77	41 Å²	41	34%	0.338	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-44.4	177.2	172.9	-114.9	0	0	0	112.4	V423 T429 C689 R691	V423-F425 VanDerWaalsContact C-N 3.31Å; V423-F425 PolarHBondContact O-N 2.96Å; F425-T429 WeakPolarHBondContact CE2-OG1 3.27Å; F425-T429 VanDerWaalsContact O-CB 3.24Å; F425-T429 WeakPolarHBondContact O-CB 3.22Å; F425-T429 PolarHBondContact O-N 2.81Å; F425-T429 PolarHBondContact O-OG1 3Å; F425-C689 HydrophobicContact CE1-CB 4.22Å; F425-C689 HydrophobicContact CZ-CB 4.2Å; F425-R691 HydrophobicContact CD1-CB 3.91Å; F425-R691 HydrophobicContact CE1-CB 3.69Å; F425-R691 HydrophobicContact CE2-CB 4.41Å; F425-R691 HydrophobicContact CG-CB 4.37Å; F425-R691 HydrophobicContact CZ-CB 3.96Å
426	A	92.7	Very high	91.7	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-46.4	176.5	0	0	0	0	0	110.7	V423 A428 T429 I430 I582	V423-A426 HydrophobicContact CB-CB 4.29Å; V423-A426 PolarHBondContact O-N 3.34Å; A426-A428 PolarHBondContact O-N 2.9Å; A426-T429 PolarHBondContact O-N 2.74Å; A426-I430 HydrophobicContact CB-CD1 4.45Å; A426-I430 VanDerWaalsContact O-CB 3.27Å; A426-I430 WeakPolarHBondContact O-CB 3.17Å; A426-I430 WeakPolarHBondContact O-CD1 3.43Å; A426-I430 WeakPolarHBondContact O-CG1 3.21Å; A426-I430 PolarHBondContact O-N 2.75Å; A426-I582 HydrophobicContact CB-CD1 3.75Å
427	K	93.1	Very high	91.6	Very high	25 Å²	25	43.4 Å²	43.4	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-49.5	175.2	-71.7	171.4	169	164.9	0	112.1	W417 I420 G422 V423 E424 K431	W417-K427 HydrophobicContact CE3-CB 4.22Å; W417-K427 HydrophobicContact CE3-CD 4.49Å; W417-K427 HydrophobicContact CE3-CG 3.8Å; W417-K427 HydrophobicContact CZ3-CB 4.25Å; W417-K427 HydrophobicContact CZ3-CG 3.91Å; W417-K427 WeakPolarHBondContact O-CE 3.41Å; I420-K427 VanDerWaalsContact O-CE 3.27Å; I420-K427 WeakPolarHBondContact O-CE 3.32Å; I420-K427 PolarHBondContact O-NZ 3.33Å; G422-K427 WeakPolarHBondContact O-CD 3.44Å; G422-K427 WeakPolarHBondContact O-CE 3.44Å; G422-K427 PolarHBondContact O-NZ 2.8Å; V423-K427 HydrophobicContact CG2-CG 4.38Å; V423-K427 WeakPolarHBondContact O-CG 3.37Å; V423-K427 PolarHBondContact O-N 3.02Å; E424-K427 PolarHBondContact O-N 3.24Å; E424-K427 IonicContact OE1-NZ 3.89Å; K427-K431 WeakPolarHBondContact O-CB 3.17Å; K427-K431 VanDerWaalsContact O-CG 3.27Å; K427-K431 WeakPolarHBondContact O-CG 3.3Å; K427-K431 PolarHBondContact O-N 2.83Å
428	A	93.4	Very high	91.5	Very high	56 Å²	56	43.6 Å²	43.6	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-49.4	180	0	0	0	0	0	111.4	E424 A426 I430 K431 E432	E424-A428 VanDerWaalsContact O-CB 3.32Å; E424-A428 WeakPolarHBondContact O-CB 3.43Å; E424-A428 PolarHBondContact O-N 3.03Å; A426-A428 PolarHBondContact O-N 2.9Å; A428-I430 VanDerWaalsContact C-N 3.32Å; A428-I430 PolarHBondContact O-N 3.47Å; A428-K431 PolarHBondContact O-N 2.82Å; A428-E432 PolarHBondContact O-N 2.78Å
429	T	93	Very high	91.5	Very high	18 Å²	18	42.8 Å²	42.8	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-42.3	178.7	-59.2	0	0	0	0	111.7	F425 A426 E432 I433 L580	F425-T429 WeakPolarHBondContact CE2-OG1 3.27Å; F425-T429 VanDerWaalsContact O-CB 3.24Å; F425-T429 WeakPolarHBondContact O-CB 3.22Å; F425-T429 PolarHBondContact O-N 2.81Å; F425-T429 PolarHBondContact O-OG1 3Å; A426-T429 PolarHBondContact O-N 2.74Å; T429-E432 PolarHBondContact O-N 2.9Å; T429-I433 HydrophobicContact CG2-CD1 3.95Å; T429-I433 HydrophobicContact CG2-CG2 4.45Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.5Å; T429-I433 WeakPolarHBondContact O-CG2 3.48Å; T429-I433 PolarHBondContact O-N 2.83Å; T429-L580 HydrophobicContact CG2-CD2 3.87Å
430	I	93.9	Very high	91.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-39.9	178.7	-69.1	164.8	0	0	0	111.5	W417 A426 A428 E432 V434 V435 L456 I467 I471 L580	W417-I430 HydrophobicContact CH2-CB 4.24Å; W417-I430 HydrophobicContact CH2-CG2 3.71Å; W417-I430 HydrophobicContact CZ2-CG2 4.18Å; A426-I430 HydrophobicContact CB-CD1 4.45Å; A426-I430 VanDerWaalsContact O-CB 3.27Å; A426-I430 WeakPolarHBondContact O-CB 3.17Å; A426-I430 WeakPolarHBondContact O-CD1 3.43Å; A426-I430 WeakPolarHBondContact O-CG1 3.21Å; A426-I430 PolarHBondContact O-N 2.75Å; A428-I430 VanDerWaalsContact C-N 3.32Å; A428-I430 PolarHBondContact O-N 3.47Å; I430-E432 VanDerWaalsContact C-N 3.31Å; I430-E432 PolarHBondContact O-N 2.98Å; I430-V434 HydrophobicContact CG2-CB 4.39Å; I430-V434 HydrophobicContact CG2-CG2 4.37Å; I430-V434 WeakPolarHBondContact O-CA 3.36Å; I430-V434 VanDerWaalsContact O-CB 3.3Å; I430-V434 WeakPolarHBondContact O-CB 3.44Å; I430-V434 PolarHBondContact O-N 2.89Å; I430-V435 PolarHBondContact O-N 2.88Å; I430-L456 HydrophobicContact CD1-CD2 4.37Å; I430-I467 HydrophobicContact CD1-CG2 3.66Å; I430-I471 HydrophobicContact CD1-CD1 4.38Å; I430-I471 HydrophobicContact CG2-CD1 3.69Å; I430-I471 HydrophobicContact CG2-CG1 3.45Å; I430-I471 VanDerWaalsContact CG2-CG1 3.45Å; I430-L580 HydrophobicContact CD1-CD1 3.69Å; I430-L580 HydrophobicContact CG1-CD1 3.43Å; I430-L580 VanDerWaalsContact CG1-CD1 3.43Å
431	K	93.7	Very high	91.3	Very high	73 Å²	73	48 Å²	48	32%	0.317	24%	0.238	S	C	.	.	I	π-helix	trans	-57.9	-45.6	173.4	-77.4	172	178.1	-176.2	0	111.3	W417 K427 A428 V435 W436	W417-K431 VanDerWaalsContact CD2-CE 3.47Å; W417-K431 HydrophobicContact CZ2-CG 4.02Å; W417-K431 VanDerWaalsContact NE1-CE 3.28Å; K427-K431 WeakPolarHBondContact O-CB 3.17Å; K427-K431 VanDerWaalsContact O-CG 3.27Å; K427-K431 WeakPolarHBondContact O-CG 3.3Å; K427-K431 PolarHBondContact O-N 2.83Å; A428-K431 PolarHBondContact O-N 2.82Å; K431-V435 PolarHBondContact O-N 2.86Å; K431-W436 VanDerWaalsContact O-CG 3.31Å; K431-W436 PolarHBondContact O-N 2.92Å
432	E	92.9	Very high	91.3	Very high	112 Å²	112	51.7 Å²	51.7	52%	0.523	26%	0.255	S	S	.	.	I	π-helix	trans	-67.7	-52	179.7	-174.1	-175.3	172.4	0	0	113.1	A428 T429 I430 W436 P437	A428-E432 PolarHBondContact O-N 2.78Å; T429-E432 PolarHBondContact O-N 2.9Å; I430-E432 VanDerWaalsContact C-N 3.31Å; I430-E432 PolarHBondContact O-N 2.98Å; E432-W436 HydrophobicContact CB-CE3 4.18Å; E432-W436 HydrophobicContact CB-CZ3 4.08Å; E432-W436 HydrophobicContact CG-CE3 4.16Å; E432-W436 HydrophobicContact CG-CZ3 4.01Å; E432-P437 WeakPolarHBondContact O-CD 3.24Å
433	I	90.9	Very high	91.3	Very high	25 Å²	25	55.2 Å²	55.2	13%	0.128	27%	0.272	C	S	.	.	I	π-helix	trans	-87.7	-15.5	-170.8	78.5	-169.8	0	0	0	114.3	T429 P451 K578	T429-I433 HydrophobicContact CG2-CD1 3.95Å; T429-I433 HydrophobicContact CG2-CG2 4.45Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.5Å; T429-I433 WeakPolarHBondContact O-CG2 3.48Å; T429-I433 PolarHBondContact O-N 2.83Å; I433-P451 HydrophobicContact CB-CG 4.35Å; I433-P451 HydrophobicContact CD1-CG 4.15Å; I433-P451 HydrophobicContact CG1-CG 4.09Å; I433-P451 WeakPolarHBondContact O-CD 3.49Å; I433-K578 HydrophobicContact CD1-CB 4.1Å; I433-K578 HydrophobicContact CD1-CD 4.23Å; I433-K578 HydrophobicContact CD1-CG 3.96Å
434	V	91.7	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-120.1	-63	-178.4	-176.1	0	0	0	0	111.6	I430 P437 M438 I454 I471 L557	I430-V434 HydrophobicContact CG2-CB 4.39Å; I430-V434 HydrophobicContact CG2-CG2 4.37Å; I430-V434 WeakPolarHBondContact O-CA 3.36Å; I430-V434 VanDerWaalsContact O-CB 3.3Å; I430-V434 WeakPolarHBondContact O-CB 3.44Å; I430-V434 PolarHBondContact O-N 2.89Å; V434-P437 WeakPolarHBondContact O-CD 3.25Å; V434-M438 HydrophobicContact CG1-CG 4.47Å; V434-M438 HydrophobicContact CG1-SD 3.58Å; V434-M438 VanDerWaalsContact CG1-SD 3.58Å; V434-M438 VanDerWaalsContact O-CG 3.31Å; V434-M438 WeakPolarHBondContact O-CG 3.38Å; V434-M438 PolarHBondContact O-N 3.15Å; V434-I454 HydrophobicContact CG2-CD1 4.4Å; V434-I471 HydrophobicContact CG1-CG2 3.71Å; V434-L557 HydrophobicContact CG1-CD2 3.52Å; V434-L557 HydrophobicContact CG2-CD1 4.46Å; V434-L557 HydrophobicContact CG2-CD2 4.23Å
435	V	92.2	Very high	91	Very high	6 Å²	6	55.2 Å²	55.2	4%	0.036	28%	0.275	C	S	.	.	I	π-helix	trans	-67.4	-47	-165.6	-174.2	0	0	0	0	111.1	W417 I430 K431 M438 L439 Q474	W417-V435 HydrophobicContact CZ2-CG2 3.99Å; I430-V435 PolarHBondContact O-N 2.88Å; K431-V435 PolarHBondContact O-N 2.86Å; V435-M438 PolarHBondContact O-N 3.04Å; V435-L439 HydrophobicContact CG1-CD1 3.76Å; V435-L439 HydrophobicContact CG1-CG 4.23Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 VanDerWaalsContact O-CG 3.32Å; V435-L439 WeakPolarHBondContact O-CG 2.94Å; V435-L439 PolarHBondContact O-N 3.28Å; V435-Q474 HydrophobicContact CG1-CB 4.31Å; V435-Q474 WeakPolarHBondContact CG1-O 3.43Å
436	W	92.6	Very high	90.6	Very high	138 Å²	138	55 Å²	55	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-44.7	178.1	-61	-16	0	0	0	113	K431 E432 M438 L439 R440 F444	K431-W436 VanDerWaalsContact O-CG 3.31Å; K431-W436 PolarHBondContact O-N 2.92Å; E432-W436 HydrophobicContact CB-CE3 4.18Å; E432-W436 HydrophobicContact CB-CZ3 4.08Å; E432-W436 HydrophobicContact CG-CE3 4.16Å; E432-W436 HydrophobicContact CG-CZ3 4.01Å; W436-M438 VanDerWaalsContact C-N 3.35Å; W436-M438 PolarHBondContact O-N 2.91Å; W436-L439 PolarHBondContact O-N 2.98Å; W436-R440 PolarHBondContact O-N 2.83Å; W436-F444 HydrophobicContact CB-CE2 3.66Å; W436-F444 HydrophobicContact CB-CZ 3.73Å; W436-F444 HydrophobicContact CE3-CZ 4.37Å
437	P	90.4	Very high	90.2	Very high	5 Å²	5	63.8 Å²	63.8	3%	0.032	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-37.6	170.5	-27.2	30.7	0	0	0	115.6	E432 V434 R440 P441 F444 P450	E432-P437 WeakPolarHBondContact O-CD 3.24Å; V434-P437 WeakPolarHBondContact O-CD 3.25Å; P437-R440 CarbonylContact O-C 3.6Å; P437-P441 WeakPolarHBondContact O-CA 3.39Å; P437-F444 HydrophobicContact CB-CB 3.71Å; P437-F444 HydrophobicContact CB-CD1 4.31Å; P437-F444 HydrophobicContact CB-CD2 4.35Å; P437-F444 HydrophobicContact CB-CG 3.88Å; P437-F444 HydrophobicContact CG-CB 4.01Å; P437-F444 HydrophobicContact CG-CD1 3.65Å; P437-F444 HydrophobicContact CG-CD2 4.25Å; P437-F444 HydrophobicContact CG-CE1 4.15Å; P437-F444 HydrophobicContact CG-CG 3.71Å; P437-P450 HydrophobicContact CB-CB 3.83Å; P437-P450 HydrophobicContact CB-CG 3.98Å; P437-P450 HydrophobicContact CG-CB 4.26Å
438	M	88.6	Confident	89.8	Confident	20 Å²	20	70.9 Å²	70.9	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-74.2	-34	179.9	-69.4	-179.9	75.4	0	0	112.3	V434 V435 W436 A477 P511 V513	V434-M438 HydrophobicContact CG1-CG 4.47Å; V434-M438 HydrophobicContact CG1-SD 3.58Å; V434-M438 VanDerWaalsContact CG1-SD 3.58Å; V434-M438 VanDerWaalsContact O-CG 3.31Å; V434-M438 WeakPolarHBondContact O-CG 3.38Å; V434-M438 PolarHBondContact O-N 3.15Å; V435-M438 PolarHBondContact O-N 3.04Å; W436-M438 VanDerWaalsContact C-N 3.35Å; W436-M438 PolarHBondContact O-N 2.91Å; M438-A477 HydrophobicContact CE-CB 3.62Å; M438-P511 HydrophobicContact CE-CB 3.8Å; M438-V513 HydrophobicContact CE-CG2 4.19Å
439	L	88.9	Confident	89.3	Confident	97 Å²	97	69.8 Å²	69.8	51%	0.508	36%	0.361	S	S	.	.	H	α-helix	trans	-79.4	-31.4	175	-66.4	177	0	0	0	113.7	V435 W436 P441	V435-L439 HydrophobicContact CG1-CD1 3.76Å; V435-L439 HydrophobicContact CG1-CG 4.23Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 VanDerWaalsContact O-CG 3.32Å; V435-L439 WeakPolarHBondContact O-CG 2.94Å; V435-L439 PolarHBondContact O-N 3.28Å; W436-L439 PolarHBondContact O-N 2.98Å; L439-P441 VanDerWaalsContact C-CD 3.49Å
440	R	89.3	Confident	89.1	Confident	129 Å²	129	71.4 Å²	71.4	49%	0.487	37%	0.372	S	S	.	.			trans	-131.3	61.9	-176.9	-67.6	-60.7	-59.7	-95.8	0.9	112.9	W436 P437 D442 I443 F444	W436-R440 PolarHBondContact O-N 2.83Å; P437-R440 CarbonylContact O-C 3.6Å; R440-D442 VanDerWaalsContact CA-OD1 3.3Å; R440-D442 WeakPolarHBondContact CA-OD1 3.45Å; R440-D442 WeakPolarHBondContact CB-OD1 3.49Å; R440-D442 IonicContact CZ-OD1 3.44Å; R440-D442 IonicContact CZ-OD2 3.72Å; R440-D442 IonicContact NE-OD1 3.67Å; R440-D442 PolarHBondContact NE-OD1 2.84Å; R440-D442 IonicContact NE-OD2 2.77Å; R440-D442 PolarHBondContact NE-OD2 3.01Å; R440-D442 IonicContact NH2-OD1 2.69Å; R440-D442 IonicContact NH2-OD2 2.71Å; R440-D442 PolarHBondContact NH2-OD2 2.76Å; R440-D442 PolarHBondContact O-N 3.45Å; R440-I443 HydrophobicContact CB-CD1 4.35Å; R440-I443 PolarHBondContact O-N 2.74Å; R440-F444 HydrophobicContact CB-CD2 4.4Å; R440-F444 WeakPolarHBondContact O-CD2 3.31Å; R440-F444 PolarHBondContact O-N 2.8Å
441	P	87.8	Confident	88.8	Confident	63 Å²	63	72.7 Å²	72.7	41%	0.409	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.7	179.8	28.2	-36.6	0	0	0	113.6	P437 L439 T445	P437-P441 WeakPolarHBondContact O-CA 3.39Å; L439-P441 VanDerWaalsContact C-CD 3.49Å; P441-T445 VanDerWaalsContact O-CG2 3.29Å; P441-T445 WeakPolarHBondContact O-CG2 3.35Å
442	D	89.7	Confident	88.5	Confident	95 Å²	95	71.1 Å²	71.1	51%	0.508	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.7	172.2	62.3	-56.3	0	0	0	113.3	R440	R440-D442 VanDerWaalsContact CA-OD1 3.3Å; R440-D442 WeakPolarHBondContact CA-OD1 3.45Å; R440-D442 WeakPolarHBondContact CB-OD1 3.49Å; R440-D442 IonicContact CZ-OD1 3.44Å; R440-D442 IonicContact CZ-OD2 3.72Å; R440-D442 IonicContact NE-OD1 3.67Å; R440-D442 PolarHBondContact NE-OD1 2.84Å; R440-D442 IonicContact NE-OD2 2.77Å; R440-D442 PolarHBondContact NE-OD2 3.01Å; R440-D442 IonicContact NH2-OD1 2.69Å; R440-D442 IonicContact NH2-OD2 2.71Å; R440-D442 PolarHBondContact NH2-OD2 2.76Å; R440-D442 PolarHBondContact O-N 3.45Å
443	I	90.4	Very high	88.4	Confident	78 Å²	78	65.9 Å²	65.9	40%	0.4	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-38.4	178.6	-60.4	177.3	0	0	0	110.9	R440 T445	R440-I443 HydrophobicContact CB-CD1 4.35Å; R440-I443 PolarHBondContact O-N 2.74Å; I443-T445 VanDerWaalsContact C-N 3.33Å; I443-T445 PolarHBondContact O-N 3.24Å
444	F	88.3	Confident	88.6	Confident	48 Å²	48	64.7 Å²	64.7	21%	0.211	34%	0.343	C	S	.	.	S	Bend	trans	-92.7	57.7	-172.5	-69.8	-84.9	0	0	0	112	W436 P437 R440 R448 G449	W436-F444 HydrophobicContact CB-CE2 3.66Å; W436-F444 HydrophobicContact CB-CZ 3.73Å; W436-F444 HydrophobicContact CE3-CZ 4.37Å; P437-F444 HydrophobicContact CB-CB 3.71Å; P437-F444 HydrophobicContact CB-CD1 4.31Å; P437-F444 HydrophobicContact CB-CD2 4.35Å; P437-F444 HydrophobicContact CB-CG 3.88Å; P437-F444 HydrophobicContact CG-CB 4.01Å; P437-F444 HydrophobicContact CG-CD1 3.65Å; P437-F444 HydrophobicContact CG-CD2 4.25Å; P437-F444 HydrophobicContact CG-CE1 4.15Å; P437-F444 HydrophobicContact CG-CG 3.71Å; R440-F444 HydrophobicContact CB-CD2 4.4Å; R440-F444 WeakPolarHBondContact O-CD2 3.31Å; R440-F444 PolarHBondContact O-N 2.8Å; F444-R448 WeakPolarHBondContact CB-O 3.31Å; F444-R448 HydrophobicContact CD1-CB 4.25Å; F444-R448 WeakPolarHBondContact CD1-O 3.19Å; F444-G449 WeakPolarHBondContact O-CA 3.45Å; F444-G449 PolarHBondContact O-N 2.77Å
445	T	85.2	Confident	88.8	Confident	89 Å²	89	64.7 Å²	64.7	55%	0.546	34%	0.343	S	S	.	.			trans	-97.4	158	-178.8	53.8	0	0	0	0	113.2	P441 I443 L447 R448	P441-T445 VanDerWaalsContact O-CG2 3.29Å; P441-T445 WeakPolarHBondContact O-CG2 3.35Å; I443-T445 VanDerWaalsContact C-N 3.33Å; I443-T445 PolarHBondContact O-N 3.24Å; T445-L447 PolarHBondContact O-N 2.84Å; T445-R448 WeakPolarHBondContact O-CB 3.33Å; T445-R448 PolarHBondContact O-N 2.99Å
446	G	84.5	Confident	89	Confident	74 Å²	74	64.4 Å²	64.4	76%	0.763	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	58.3	-124	176.5	0	0	0	0	0	112.5	R448 G449	G446-R448 PolarHBondContact O-N 2.85Å; G446-R448 VanDerWaalsContact O-N 3.15Å; G446-G449 PolarHBondContact O-N 3.02Å
447	L	84.3	Confident	89.2	Confident	188 Å²	188	57.8 Å²	57.8	98%	0.984	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-65.8	-10.7	177.7	-62.6	178.6	0	0	0	114.2	T445	T445-L447 PolarHBondContact O-N 2.84Å
448	R	84.9	Confident	89.4	Confident	173 Å²	173	57.6 Å²	57.6	65%	0.653	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-92.8	0.6	172.6	-62.8	-179.3	175.5	175.6	-2.4	113.3	F444 T445 G446	F444-R448 WeakPolarHBondContact CB-O 3.31Å; F444-R448 HydrophobicContact CD1-CB 4.25Å; F444-R448 WeakPolarHBondContact CD1-O 3.19Å; T445-R448 WeakPolarHBondContact O-CB 3.33Å; T445-R448 PolarHBondContact O-N 2.99Å; G446-R448 PolarHBondContact O-N 2.85Å; G446-R448 VanDerWaalsContact O-N 3.15Å
449	G	82.7	Confident	89.8	Confident	33 Å²	33	56.6 Å²	56.6	34%	0.34	31%	0.31	S	S	.	.	S	Bend	trans	-60.4	154.3	176.7	0	0	0	0	0	112.7	F444 G446	F444-G449 WeakPolarHBondContact O-CA 3.45Å; F444-G449 PolarHBondContact O-N 2.77Å; G446-G449 PolarHBondContact O-N 3.02Å
450	P	87.7	Confident	90	Very high	53 Å²	53	54.5 Å²	54.5	34%	0.344	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.3	149	-178.9	26.4	-31.1	0	0	0	111.4	P437 K452	P437-P450 HydrophobicContact CB-CB 3.83Å; P437-P450 HydrophobicContact CB-CG 3.98Å; P437-P450 HydrophobicContact CG-CB 4.26Å; P450-K452 PolarHBondContact O-N 3.15Å
451	P	88.5	Confident	90.1	Very high	28 Å²	28	49.8 Å²	49.8	18%	0.182	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-66.4	122.6	171.7	29.8	-30.5	0	0	0	108.7	I433 G453 I454 L557 K578	I433-P451 HydrophobicContact CB-CG 4.35Å; I433-P451 HydrophobicContact CD1-CG 4.15Å; I433-P451 HydrophobicContact CG1-CG 4.09Å; I433-P451 WeakPolarHBondContact O-CD 3.49Å; P451-G453 PolarHBondContact O-N 3.37Å; P451-I454 HydrophobicContact CB-CG2 4.36Å; P451-I454 HydrophobicContact CG-CG2 3.84Å; P451-L557 WeakPolarHBondContact O-CD1 3.07Å; P451-K578 HydrophobicContact CB-CG 4.41Å; P451-K578 HydrophobicContact CG-CG 4.36Å
452	K	86.1	Confident	90.4	Very high	40 Å²	40	47.7 Å²	47.7	17%	0.174	28%	0.28	C	S	.	.	S	Bend	trans	-65.2	-19.3	-177.5	-60.9	-84.1	-171.2	155.4	0	113.3	P450 A548 T549 S551 D554 V558	P450-K452 PolarHBondContact O-N 3.15Å; K452-A548 WeakPolarHBondContact CD-O 3.39Å; K452-A548 WeakPolarHBondContact CE-O 3.42Å; K452-A548 PolarHBondContact NZ-O 2.77Å; K452-T549 HydrophobicContact CB-CG2 3.62Å; K452-T549 HydrophobicContact CG-CG2 3.79Å; K452-S551 PolarHBondContact NZ-O 3.36Å; K452-D554 PolarHBondContact NZ-O 3.2Å; K452-V558 PolarHBondContact O-N 2.58Å
453	G	92.4	Very high	90.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.2	177.4	0	0	0	0	0	112.7	P451 V558 V577	P451-G453 PolarHBondContact O-N 3.37Å; G453-V558 CarbonylContact C-O 3.53Å; G453-V558 WeakPolarHBondContact CA-O 3.37Å; G453-V577 PolarHBondContact O-N 3.37Å
454	I	94.8	Very high	90.7	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.4	171.9	69.8	174.4	0	0	0	110.9	V434 P451 I471 L557 V558 V559 G560 K578	V434-I454 HydrophobicContact CG2-CD1 4.4Å; P451-I454 HydrophobicContact CB-CG2 4.36Å; P451-I454 HydrophobicContact CG-CG2 3.84Å; I454-I471 HydrophobicContact CD1-CD1 4.13Å; I454-L557 HydrophobicContact CG1-CD1 4.43Å; I454-L557 HydrophobicContact CG2-CD1 4.24Å; I454-V558 PolarHBondContact N-O 3.42Å; I454-V559 HydrophobicContact CD1-CG1 4.16Å; I454-V559 HydrophobicContact CD1-CG2 3.97Å; I454-V559 HydrophobicContact CG1-CB 4.2Å; I454-V559 HydrophobicContact CG1-CG1 4.03Å; I454-V559 HydrophobicContact CG1-CG2 3.91Å; I454-G560 PolarHBondContact O-N 3.02Å; I454-K578 CarbonylContact C-O 3.57Å; I454-K578 VanDerWaalsContact CA-O 3.3Å; I454-K578 WeakPolarHBondContact CA-O 3.46Å; I454-K578 HydrophobicContact CG2-CB 4.14Å
455	L	96.2	Very high	90.9	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.1	174.5	-178.4	69.7	0	0	0	110.3	I519 G560 T562 I568 L576 K578 R579 L580 W683	L455-I519 HydrophobicContact CD1-CG2 3.85Å; L455-G560 CarbonylContact C-O 3.52Å; L455-G560 WeakPolarHBondContact CA-O 3.34Å; L455-T562 HydrophobicContact CD1-CG2 3.82Å; L455-T562 HydrophobicContact CD2-CG2 4.28Å; L455-T562 HydrophobicContact CG-CG2 4.23Å; L455-I568 HydrophobicContact CD1-CD1 3.84Å; L455-I568 HydrophobicContact CD2-CD1 3.81Å; L455-L576 HydrophobicContact CB-CB 4.13Å; L455-L576 HydrophobicContact CB-CD1 4.12Å; L455-L576 HydrophobicContact CD1-CD1 4Å; L455-K578 PolarHBondContact N-O 2.93Å; L455-R579 HydrophobicContact CB-CB 4Å; L455-R579 HydrophobicContact CB-CG 3.85Å; L455-R579 HydrophobicContact CD2-CB 4.2Å; L455-R579 HydrophobicContact CD2-CG 3.98Å; L455-R579 CarbonylContact O-C 3.58Å; L455-R579 VanDerWaalsContact O-CA 3.3Å; L455-R579 WeakPolarHBondContact O-CA 3.47Å; L455-L580 PolarHBondContact O-N 2.78Å; L455-W683 HydrophobicContact CD2-CH2 4.08Å
456	L	96.7	Very high	91.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.9	167.7	-53	-176.5	0	0	0	108.1	I430 K464 I467 V559 G560 A561 T562 L580 I582	I430-L456 HydrophobicContact CD1-CD2 4.37Å; L456-K464 HydrophobicContact CB-CB 4.34Å; L456-K464 HydrophobicContact CB-CD 4.2Å; L456-K464 HydrophobicContact CB-CG 4.24Å; L456-K464 WeakPolarHBondContact O-CD 3.38Å; L456-I467 HydrophobicContact CD1-CB 4.06Å; L456-I467 HydrophobicContact CD1-CG2 3.84Å; L456-V559 HydrophobicContact CD1-CG1 3.92Å; L456-V559 HydrophobicContact CG-CG1 4.06Å; L456-G560 PolarHBondContact N-O 3.21Å; L456-A561 WeakPolarHBondContact O-CA 3.29Å; L456-T562 PolarHBondContact O-N 3.49Å; L456-L580 HydrophobicContact CD2-CB 4.14Å; L456-L580 HydrophobicContact CD2-CD1 4.16Å; L456-I582 HydrophobicContact CB-CG1 4.24Å; L456-I582 HydrophobicContact CD2-CD1 4.38Å
457	F	96.3	Very high	91.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	162.6	-179.1	72.9	-87.9	0	0	0	111.8	T562 P565 R579 L580 Y581 I582 W683 N684	F457-T562 HydrophobicContact CB-CG2 3.44Å; F457-T562 VanDerWaalsContact CB-CG2 3.44Å; F457-P565 HydrophobicContact CB-CB 3.86Å; F457-P565 HydrophobicContact CB-CG 4.03Å; F457-P565 HydrophobicContact CD2-CB 4.23Å; F457-P565 HydrophobicContact CD2-CG 3.83Å; F457-P565 HydrophobicContact CG-CB 4.1Å; F457-P565 HydrophobicContact CG-CG 4.16Å; F457-R579 HydrophobicContact CD1-CB 4.02Å; F457-R579 HydrophobicContact CE1-CB 3.84Å; F457-L580 VanDerWaalsContact CD1-O 3.24Å; F457-L580 WeakPolarHBondContact CD1-O 3.28Å; F457-L580 PolarHBondContact N-O 3.34Å; F457-Y581 HydrophobicContact CD2-CD2 4.06Å; F457-Y581 AromaticContact CE2-CD2 3.76Å; F457-Y581 HydrophobicContact CE2-CD2 3.76Å; F457-Y581 HydrophobicContact CE2-CG 4.05Å; F457-Y581 HydrophobicContact CZ-CD2 4.44Å; F457-Y581 HydrophobicContact CZ-CG 4.32Å; F457-Y581 CarbonylContact O-C 3.52Å; F457-Y581 WeakPolarHBondContact O-CA 3.36Å; F457-I582 PolarHBondContact O-N 2.99Å; F457-W683 HydrophobicContact CD1-CE3 4.29Å; F457-W683 AromaticContact CD1-CZ3 3.8Å; F457-W683 HydrophobicContact CD1-CZ3 3.8Å; F457-W683 HydrophobicContact CD2-CE3 4.09Å; F457-W683 HydrophobicContact CD2-CZ3 4.4Å; F457-W683 AromaticContact CE1-CE3 3.9Å; F457-W683 HydrophobicContact CE1-CE3 3.9Å; F457-W683 AromaticContact CE1-CZ3 3.53Å; F457-W683 HydrophobicContact CE1-CZ3 3.53Å; F457-W683 AromaticContact CE2-CE3 3.67Å; F457-W683 HydrophobicContact CE2-CE3 3.67Å; F457-W683 HydrophobicContact CE2-CZ3 4.16Å; F457-W683 HydrophobicContact CG-CE3 4.37Å; F457-W683 HydrophobicContact CG-CZ3 4.23Å; F457-W683 AromaticContact CZ-CE3 3.56Å; F457-W683 HydrophobicContact CZ-CE3 3.56Å; F457-W683 AromaticContact CZ-CZ3 3.72Å; F457-W683 HydrophobicContact CZ-CZ3 3.72Å; F457-N684 HydrophobicContact CE2-CB 4.03Å; F457-N684 HydrophobicContact CZ-CB 3.75Å
458	G	95.3	Very high	92.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	132.8	-175.5	-176.6	0	0	0	0	0	111	K464	G458-K464 PolarHBondContact O-NZ 3.16Å
459	P	95.4	Very high	92.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-59.4	159.5	-174	10.9	-18.6	0	0	0	114.5	T462 K464 L584 V672 L677 Y680	P459-T462 HydrophobicContact CB-CG2 4.25Å; P459-T462 HydrophobicContact CG-CG2 3.83Å; P459-T462 PolarHBondContact O-OG1 2.9Å; P459-T462 VanDerWaalsContact O-OG1 3.09Å; P459-K464 PolarHBondContact O-NZ 2.86Å; P459-L584 HydrophobicContact CB-CD2 4.16Å; P459-L584 HydrophobicContact CG-CD2 3.81Å; P459-L584 HydrophobicContact CG-CG 3.98Å; P459-V672 HydrophobicContact CB-CG1 4.03Å; P459-V672 HydrophobicContact CB-CG2 3.74Å; P459-L677 HydrophobicContact CG-CD2 4.02Å; P459-Y680 HydrophobicContact CB-CE2 3.93Å; P459-Y680 HydrophobicContact CG-CD2 4.34Å; P459-Y680 HydrophobicContact CG-CE2 4.17Å
460	P	93.8	Very high	93.2	Very high	52 Å²	52	21.3 Å²	21.3	34%	0.338	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	159.7	170.2	28.8	-35.8	0	0	0	111.2	T462 N563 V672	P460-T462 PolarHBondContact O-N 2.89Å; P460-T462 VanDerWaalsContact O-N 3.17Å; P460-N563 WeakPolarHBondContact CA-OD1 3.43Å; P460-V672 HydrophobicContact CG-CG2 4.2Å
461	G	91.4	Very high	93.5	Very high	31 Å²	31	18.8 Å²	18.8	32%	0.32	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	1.7	176	0	0	0	0	0	116.4	G463 G622 A623	G461-G463 VanDerWaalsContact C-N 3.31Å; G461-G463 PolarHBondContact O-N 3.22Å; G461-G622 CarbonylContact O-C 3.57Å; G461-G622 VanDerWaalsContact O-CA 3.28Å; G461-G622 WeakPolarHBondContact O-CA 3.25Å; G461-G622 PolarHBondContact O-N 2.89Å; G461-G622 VanDerWaalsContact O-N 3.11Å; G461-A623 PolarHBondContact O-N 2.87Å
462	T	93.4	Very high	93.8	Very high	18 Å²	18	17.5 Å²	17.5	11%	0.11	11%	0.107	C	C	.	.	S	Bend	trans	-85.4	8.8	179.4	63.2	0	0	0	0	115.1	P459 P460 I582 P583 L584	P459-T462 HydrophobicContact CB-CG2 4.25Å; P459-T462 HydrophobicContact CG-CG2 3.83Å; P459-T462 PolarHBondContact O-OG1 2.9Å; P459-T462 VanDerWaalsContact O-OG1 3.09Å; P460-T462 PolarHBondContact O-N 2.89Å; P460-T462 VanDerWaalsContact O-N 3.17Å; T462-I582 WeakPolarHBondContact OG1-CG2 3.36Å; T462-I582 PolarHBondContact OG1-O 3.24Å; T462-P583 VanDerWaalsContact CG2-O 3.27Å; T462-P583 WeakPolarHBondContact CG2-O 3.34Å; T462-L584 HydrophobicContact CG2-CD2 4.16Å
463	G	91.6	Very high	94.1	Very high	23 Å²	23	18.1 Å²	18.1	24%	0.237	12%	0.116	C	C	.	.			trans	81.4	17.9	172	0	0	0	0	0	116.2	G461 T465 L466 I467	G461-G463 VanDerWaalsContact C-N 3.31Å; G461-G463 PolarHBondContact O-N 3.22Å; G463-T465 PolarHBondContact O-N 2.99Å; G463-T465 VanDerWaalsContact O-N 3.14Å; G463-L466 WeakPolarHBondContact O-CA 3.3Å; G463-L466 WeakPolarHBondContact O-CB 3.42Å; G463-L466 PolarHBondContact O-N 3.16Å; G463-I467 PolarHBondContact O-N 3.29Å
464	K	95.1	Very high	94.1	Very high	11 Å²	11	20.9 Å²	20.9	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-45.9	-44.1	176.2	-63.6	-172.6	-73	-94.2	0	113.4	L456 G458 P459 I467 G468 A561 T562 N563 I582	L456-K464 HydrophobicContact CB-CB 4.34Å; L456-K464 HydrophobicContact CB-CD 4.2Å; L456-K464 HydrophobicContact CB-CG 4.24Å; L456-K464 WeakPolarHBondContact O-CD 3.38Å; G458-K464 PolarHBondContact O-NZ 3.16Å; P459-K464 PolarHBondContact O-NZ 2.86Å; K464-I467 WeakPolarHBondContact O-CB 3.36Å; K464-I467 PolarHBondContact O-N 3.21Å; K464-G468 PolarHBondContact O-N 3.43Å; K464-A561 HydrophobicContact CB-CB 4.15Å; K464-A561 HydrophobicContact CD-CB 4.44Å; K464-T562 WeakPolarHBondContact CE-O 3.31Å; K464-T562 PolarHBondContact NZ-O 2.95Å; K464-N563 PolarHBondContact NZ-OD1 2.86Å; K464-I582 HydrophobicContact CG-CB 4.21Å; K464-I582 HydrophobicContact CG-CG1 4.19Å; K464-I582 HydrophobicContact CG-CG2 4.35Å
465	T	93.3	Very high	93.8	Very high	48 Å²	48	21 Å²	21	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-68.4	-32.9	177.5	-33.8	0	0	0	0	113.3	G463 G468 K469 F515 D517	G463-T465 PolarHBondContact O-N 2.99Å; G463-T465 VanDerWaalsContact O-N 3.14Å; T465-G468 PolarHBondContact O-N 2.93Å; T465-K469 PolarHBondContact O-N 2.84Å; T465-F515 VanDerWaalsContact CA-CZ 3.5Å; T465-F515 HydrophobicContact CG2-CD1 4.38Å; T465-F515 HydrophobicContact CG2-CE1 3.69Å; T465-F515 HydrophobicContact CG2-CZ 3.99Å; T465-D517 PolarHBondContact OG1-OD2 3.28Å
466	L	93.3	Very high	93.5	Very high	91 Å²	91	24 Å²	24	48%	0.476	16%	0.159	S	C	.	.	H	α-helix	trans	-71.3	-37.7	173.6	-64.7	173.1	0	0	0	111.5	G463 G468 K469 C470	G463-L466 WeakPolarHBondContact O-CA 3.3Å; G463-L466 WeakPolarHBondContact O-CB 3.42Å; G463-L466 PolarHBondContact O-N 3.16Å; L466-G468 VanDerWaalsContact C-N 3.33Å; L466-K469 PolarHBondContact O-N 2.95Å; L466-C470 VanDerWaalsContact O-CB 3.26Å; L466-C470 WeakPolarHBondContact O-CB 3.44Å; L466-C470 PolarHBondContact O-N 2.85Å
467	I	94.8	Very high	93.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-44.4	171.7	-62.8	167.3	0	0	0	109.7	I420 V423 I430 L456 G463 K464 C470 I471 I582	I420-I467 HydrophobicContact CD1-CB 4.48Å; I420-I467 HydrophobicContact CD1-CG1 3.98Å; I420-I467 HydrophobicContact CG1-CG1 4.5Å; I420-I467 HydrophobicContact CG2-CG1 4.26Å; V423-I467 HydrophobicContact CG2-CD1 4.42Å; I430-I467 HydrophobicContact CD1-CG2 3.66Å; L456-I467 HydrophobicContact CD1-CB 4.06Å; L456-I467 HydrophobicContact CD1-CG2 3.84Å; G463-I467 PolarHBondContact O-N 3.29Å; K464-I467 WeakPolarHBondContact O-CB 3.36Å; K464-I467 PolarHBondContact O-N 3.21Å; I467-C470 PolarHBondContact O-N 3.48Å; I467-I471 HydrophobicContact CG2-CD1 4.1Å; I467-I471 VanDerWaalsContact O-CG1 3.28Å; I467-I471 WeakPolarHBondContact O-CG1 3.21Å; I467-I471 PolarHBondContact O-N 3.29Å; I467-I582 HydrophobicContact CD1-CD1 3.81Å; I467-I582 HydrophobicContact CD1-CG1 4.17Å; I467-I582 HydrophobicContact CD1-CG2 3.88Å
468	G	93.6	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-54.9	-52.4	173.5	0	0	0	0	0	113.4	K464 T465 L466 C470 I471 A472 F479	K464-G468 PolarHBondContact O-N 3.43Å; T465-G468 PolarHBondContact O-N 2.93Å; L466-G468 VanDerWaalsContact C-N 3.33Å; G468-C470 PolarHBondContact O-N 2.91Å; G468-I471 WeakPolarHBondContact O-CB 3.49Å; G468-I471 PolarHBondContact O-N 2.8Å; G468-A472 PolarHBondContact O-N 3.5Å; G468-F479 WeakPolarHBondContact O-CE2 3.42Å
469	K	93.9	Very high	93.2	Very high	48 Å²	48	27 Å²	27	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-47.7	176.1	-75.2	170.6	174.3	-85.1	0	111.8	D410 V415 T465 L466 I471 A472 C473 F479	D410-K469 IonicContact OD1-NZ 3.86Å; D410-K469 PolarHBondContact OD1-NZ 3.18Å; D410-K469 IonicContact OD2-NZ 3.45Å; D410-K469 PolarHBondContact OD2-NZ 3.49Å; V415-K469 HydrophobicContact CB-CB 4.43Å; V415-K469 HydrophobicContact CG2-CB 4.02Å; T465-K469 PolarHBondContact O-N 2.84Å; L466-K469 PolarHBondContact O-N 2.95Å; K469-I471 PolarHBondContact O-N 3.02Å; K469-A472 PolarHBondContact O-N 3.44Å; K469-A472 VanDerWaalsContact O-N 3.14Å; K469-C473 PolarHBondContact O-N 3.44Å; K469-C473 PolarHBondContact O-SG 2.96Å; K469-F479 HydrophobicContact CB-CE1 4.37Å; K469-F479 HydrophobicContact CB-CZ 4.46Å; K469-F479 HydrophobicContact CD-CE1 4.41Å; K469-F479 HydrophobicContact CG-CD1 3.83Å; K469-F479 HydrophobicContact CG-CE1 3.34Å; K469-F479 HydrophobicContact CG-CZ 3.76Å
470	C	94.5	Very high	93.2	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-40.9	-180	-174.7	0	0	0	0	112.6	V415 I420 L466 I467 G468 A472 C473 Q474	V415-C470 HydrophobicContact CB-CB 4.23Å; V415-C470 HydrophobicContact CG1-CB 3.94Å; I420-C470 HydrophobicContact CD1-CB 3.59Å; L466-C470 VanDerWaalsContact O-CB 3.26Å; L466-C470 WeakPolarHBondContact O-CB 3.44Å; L466-C470 PolarHBondContact O-N 2.85Å; I467-C470 PolarHBondContact O-N 3.48Å; G468-C470 PolarHBondContact O-N 2.91Å; C470-A472 VanDerWaalsContact C-N 3.3Å; C470-A472 PolarHBondContact O-N 3.29Å; C470-C473 PolarHBondContact O-N 3.3Å; C470-Q474 VanDerWaalsContact O-CB 3.22Å; C470-Q474 WeakPolarHBondContact O-CB 3.15Å; C470-Q474 WeakPolarHBondContact O-CG 3.05Å; C470-Q474 PolarHBondContact O-N 2.97Å
471	I	94	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-53.7	-48.2	173.6	-72.8	164	0	0	0	111.1	W417 I430 V434 I454 I467 G468 K469 S475 V513 L557	W417-I471 HydrophobicContact CH2-CG1 4.33Å; I430-I471 HydrophobicContact CD1-CD1 4.38Å; I430-I471 HydrophobicContact CG2-CD1 3.69Å; I430-I471 HydrophobicContact CG2-CG1 3.45Å; I430-I471 VanDerWaalsContact CG2-CG1 3.45Å; V434-I471 HydrophobicContact CG1-CG2 3.71Å; I454-I471 HydrophobicContact CD1-CD1 4.13Å; I467-I471 HydrophobicContact CG2-CD1 4.1Å; I467-I471 VanDerWaalsContact O-CG1 3.28Å; I467-I471 WeakPolarHBondContact O-CG1 3.21Å; I467-I471 PolarHBondContact O-N 3.29Å; G468-I471 WeakPolarHBondContact O-CB 3.49Å; G468-I471 PolarHBondContact O-N 2.8Å; K469-I471 PolarHBondContact O-N 3.02Å; I471-S475 WeakPolarHBondContact O-CB 3.38Å; I471-S475 PolarHBondContact O-N 3.02Å; I471-S475 PolarHBondContact O-OG 2.94Å; I471-V513 HydrophobicContact CG2-CG2 4.21Å; I471-L557 HydrophobicContact CG2-CD2 3.81Å
472	A	93.3	Very high	93.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-49.5	-177.8	0	0	0	0	0	111.8	G468 K469 C470 Q474 S475 G476 A477 F479 V513	G468-A472 PolarHBondContact O-N 3.5Å; K469-A472 PolarHBondContact O-N 3.44Å; K469-A472 VanDerWaalsContact O-N 3.14Å; C470-A472 VanDerWaalsContact C-N 3.3Å; C470-A472 PolarHBondContact O-N 3.29Å; A472-Q474 VanDerWaalsContact C-N 3.33Å; A472-Q474 PolarHBondContact O-N 2.88Å; A472-S475 PolarHBondContact O-N 3.04Å; A472-G476 PolarHBondContact O-N 3.33Å; A472-G476 VanDerWaalsContact O-N 3.13Å; A472-A477 PolarHBondContact O-N 3.09Å; A472-F479 HydrophobicContact CB-CB 3.7Å; A472-F479 HydrophobicContact CB-CD2 3.63Å; A472-F479 HydrophobicContact CB-CG 4.03Å; A472-V513 HydrophobicContact CB-CB 4.01Å; A472-V513 HydrophobicContact CB-CG1 4.49Å; A472-V513 HydrophobicContact CB-CG2 3.95Å
473	C	92.7	Very high	93.3	Very high	54 Å²	54	26 Å²	26	37%	0.365	17%	0.168	S	C	.	.	H	α-helix	trans	-55.8	-46.2	177.1	-60.4	0	0	0	0	112.1	P414 V415 K469 C470 S475 G476	P414-C473 HydrophobicContact CB-CB 4.48Å; V415-C473 PolarHBondContact N-SG 2.88Å; K469-C473 PolarHBondContact O-N 3.44Å; K469-C473 PolarHBondContact O-SG 2.96Å; C470-C473 PolarHBondContact O-N 3.3Å; C473-S475 VanDerWaalsContact C-N 3.31Å; C473-S475 PolarHBondContact O-N 3Å; C473-G476 PolarHBondContact O-N 2.89Å
474	Q	92	Very high	93.2	Very high	58 Å²	58	24.9 Å²	24.9	27%	0.271	16%	0.157	S	C	.	.	H	α-helix	trans	-76.5	-18.3	-176.1	-63.1	-76.9	-46.9	0	0	113.2	N416 W417 V435 C470 A472	N416-Q474 PolarHBondContact OD1-NE2 2.85Å; W417-Q474 VanDerWaalsContact CD1-CD 3.46Å; W417-Q474 HydrophobicContact CG-CG 4.44Å; V435-Q474 HydrophobicContact CG1-CB 4.31Å; V435-Q474 WeakPolarHBondContact CG1-O 3.43Å; C470-Q474 VanDerWaalsContact O-CB 3.22Å; C470-Q474 WeakPolarHBondContact O-CB 3.15Å; C470-Q474 WeakPolarHBondContact O-CG 3.05Å; C470-Q474 PolarHBondContact O-N 2.97Å; A472-Q474 VanDerWaalsContact C-N 3.33Å; A472-Q474 PolarHBondContact O-N 2.88Å
475	S	90.2	Very high	92.8	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.5	175.2	-51.3	0	0	0	0	113.3	I471 A472 C473 A477	I471-S475 WeakPolarHBondContact O-CB 3.38Å; I471-S475 PolarHBondContact O-N 3.02Å; I471-S475 PolarHBondContact O-OG 2.94Å; A472-S475 PolarHBondContact O-N 3.04Å; C473-S475 VanDerWaalsContact C-N 3.31Å; C473-S475 PolarHBondContact O-N 3Å; S475-A477 VanDerWaalsContact C-N 3.26Å; S475-A477 PolarHBondContact O-N 2.93Å
476	G	89.5	Confident	92.5	Very high	61 Å²	61	26.2 Å²	26.2	63%	0.629	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	31.6	-173.7	0	0	0	0	0	113.5	A472 C473	A472-G476 PolarHBondContact O-N 3.33Å; A472-G476 VanDerWaalsContact O-N 3.13Å; C473-G476 PolarHBondContact O-N 2.89Å
477	A	92.5	Very high	92.1	Very high	15 Å²	15	22 Å²	22	12%	0.124	15%	0.147	C	C	.	.			trans	-110.6	149	-169.5	0	0	0	0	0	112.9	M438 A472 S475 P511 V513	M438-A477 HydrophobicContact CE-CB 3.62Å; A472-A477 PolarHBondContact O-N 3.09Å; S475-A477 VanDerWaalsContact C-N 3.26Å; S475-A477 PolarHBondContact O-N 2.93Å; A477-P511 CarbonylContact C-O 3.5Å; A477-P511 WeakPolarHBondContact CA-O 3Å; A477-P511 HydrophobicContact CB-CB 4.11Å; A477-P511 HydrophobicContact CB-CG 4.16Å; A477-P511 VanDerWaalsContact CB-O 3.27Å; A477-P511 WeakPolarHBondContact CB-O 3.39Å; A477-V513 HydrophobicContact CB-CG2 3.94Å
478	T	93.9	Very high	91.4	Very high	38 Å²	38	23.9 Å²	23.9	23%	0.233	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.5	175.1	61.8	0	0	0	0	110.4	F480 Q509 P511 V513	T478-F480 VanDerWaalsContact OG1-CE2 3.31Å; T478-F480 WeakPolarHBondContact OG1-CE2 3.48Å; T478-Q509 HydrophobicContact CG2-CB 4.06Å; T478-Q509 PolarHBondContact OG1-O 3.24Å; T478-P511 PolarHBondContact N-O 3.09Å; T478-V513 PolarHBondContact O-N 3.25Å
479	F	95.6	Very high	90.7	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.5	179.9	-168.5	-117.2	0	0	0	110.8	D410 G468 K469 A472 V513 F515	D410-F479 HydrophobicContact CB-CB 4.18Å; D410-F479 HydrophobicContact CB-CD1 3.66Å; D410-F479 HydrophobicContact CB-CG 4.4Å; D410-F479 PolarHBondContact N-O 2.7Å; D410-F479 WeakPolarHBondContact OD2-CD1 3.4Å; G468-F479 WeakPolarHBondContact O-CE2 3.42Å; K469-F479 HydrophobicContact CB-CE1 4.37Å; K469-F479 HydrophobicContact CB-CZ 4.46Å; K469-F479 HydrophobicContact CD-CE1 4.41Å; K469-F479 HydrophobicContact CG-CD1 3.83Å; K469-F479 HydrophobicContact CG-CE1 3.34Å; K469-F479 HydrophobicContact CG-CZ 3.76Å; A472-F479 HydrophobicContact CB-CB 3.7Å; A472-F479 HydrophobicContact CB-CD2 3.63Å; A472-F479 HydrophobicContact CB-CG 4.03Å; F479-V513 HydrophobicContact CD2-CB 4.17Å; F479-V513 HydrophobicContact CD2-CG1 3.91Å; F479-V513 HydrophobicContact CE2-CG1 4.07Å; F479-F515 HydrophobicContact CD2-CB 4.37Å; F479-F515 HydrophobicContact CE1-CB 4.37Å; F479-F515 HydrophobicContact CE2-CB 3.37Å; F479-F515 HydrophobicContact CE2-CD2 4.4Å; F479-F515 HydrophobicContact CE2-CG 4.03Å; F479-F515 HydrophobicContact CZ-CB 3.36Å; F479-F515 HydrophobicContact CZ-CD1 4.18Å; F479-F515 HydrophobicContact CZ-CD2 4.22Å; F479-F515 AromaticContact CZ-CG 3.67Å; F479-F515 HydrophobicContact CZ-CG 3.67Å
480	F	95.4	Very high	90.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.6	170.9	-64.3	-87.5	0	0	0	108.1	I404 I408 M409 T478 L502 V505 A506 Q509 A512 V513 I514 F515	I404-F480 HydrophobicContact CG2-CD1 4.12Å; I404-F480 HydrophobicContact CG2-CE1 3.98Å; I408-F480 HydrophobicContact CG2-CB 4.04Å; I408-F480 HydrophobicContact CG2-CD1 4.26Å; I408-F480 CarbonylContact O-C 3.47Å; I408-F480 WeakPolarHBondContact O-CA 3.28Å; M409-F480 HydrophobicContact CB-CD1 4.26Å; M409-F480 HydrophobicContact CB-CE1 4.18Å; M409-F480 HydrophobicContact CE-CE1 3.61Å; M409-F480 HydrophobicContact CE-CZ 3.65Å; M409-F480 HydrophobicContact CG-CE1 4.35Å; T478-F480 VanDerWaalsContact OG1-CE2 3.31Å; T478-F480 WeakPolarHBondContact OG1-CE2 3.48Å; F480-L502 HydrophobicContact CB-CD1 4.14Å; F480-L502 HydrophobicContact CD1-CD1 4Å; F480-L502 HydrophobicContact CG-CD1 4.21Å; F480-V505 HydrophobicContact CE1-CG1 3.88Å; F480-V505 HydrophobicContact CZ-CG1 3.98Å; F480-A506 HydrophobicContact CD2-CB 4.24Å; F480-A506 HydrophobicContact CE2-CB 3.85Å; F480-A506 HydrophobicContact CZ-CB 4.35Å; F480-Q509 HydrophobicContact CE2-CB 4.34Å; F480-Q509 HydrophobicContact CZ-CB 4.05Å; F480-Q509 HydrophobicContact CZ-CG 4.23Å; F480-A512 HydrophobicContact CD2-CB 4.37Å; F480-A512 HydrophobicContact CE2-CB 3.97Å; F480-V513 PolarHBondContact N-O 3.21Å; F480-I514 HydrophobicContact CB-CG1 4.49Å; F480-I514 HydrophobicContact CD2-CG1 4.43Å; F480-F515 PolarHBondContact O-N 2.82Å
481	S	94.4	Very high	89.1	Confident	42 Å²	42	32.9 Å²	32.9	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.6	-176.1	-174.3	0	0	0	0	110.2	I408	I408-S481 PolarHBondContact O-N 3.09Å
482	I	93.5	Very high	88	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.046	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140	179.3	-165.3	164.7	0	0	0	110.6	I408 L487 L502 F515 I516 D517	I408-I482 HydrophobicContact CD1-CD1 3.83Å; I408-I482 HydrophobicContact CG1-CD1 4.32Å; I408-I482 HydrophobicContact CG2-CB 4.2Å; I482-L487 HydrophobicContact CD1-CD1 4.06Å; I482-L487 HydrophobicContact CD1-CD2 3.57Å; I482-L487 HydrophobicContact CD1-CG 3.6Å; I482-L487 HydrophobicContact CG1-CG 4.25Å; I482-L502 HydrophobicContact CD1-CD2 4.3Å; I482-L502 HydrophobicContact CG2-CD2 4.23Å; I482-F515 PolarHBondContact N-O 3.01Å; I482-I516 HydrophobicContact CG2-CB 4.5Å; I482-I516 HydrophobicContact CG2-CG1 3.98Å; I482-I516 HydrophobicContact CG2-CG2 4.49Å; I482-I516 CarbonylContact O-C 3.41Å; I482-I516 VanDerWaalsContact O-CA 3.27Å; I482-I516 WeakPolarHBondContact O-CA 3.39Å; I482-D517 PolarHBondContact O-N 3.31Å
483	S	92	Very high	87.2	Confident	28 Å²	28	40.9 Å²	40.9	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.7	164.9	170.6	0	0	0	0	109.3	S485 S486 E518	S483-S485 PolarHBondContact O-N 3.44Å; S483-S485 PolarHBondContact OG-N 3.47Å; S483-S485 PolarHBondContact OG-OG 2.99Å; S483-S486 VanDerWaalsContact O-CB 3.31Å; S483-S486 WeakPolarHBondContact O-CB 3.46Å; S483-S486 PolarHBondContact O-N 3.43Å; S483-E518 PolarHBondContact OG-OE2 3.25Å; S483-E518 VanDerWaalsContact OG-OE2 3.09Å
484	A	90	Very high	86.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-34.2	175.4	0	0	0	0	0	112.7	S486 L487 T488 I516 D517 E518 S521 L522	A484-S486 PolarHBondContact O-N 3.02Å; A484-L487 PolarHBondContact O-N 2.93Å; A484-T488 PolarHBondContact O-N 3.4Å; A484-T488 PolarHBondContact O-OG1 3.06Å; A484-I516 HydrophobicContact CB-CG2 4.03Å; A484-D517 WeakPolarHBondContact CB-O 3.46Å; A484-D517 PolarHBondContact N-O 2.92Å; A484-E518 WeakPolarHBondContact CB-O 3.31Å; A484-S521 WeakPolarHBondContact CB-OG 3.29Å; A484-L522 HydrophobicContact CB-CB 3.66Å
485	S	86.4	Confident	86.6	Confident	43 Å²	43	39.6 Å²	39.6	30%	0.301	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-26.8	175.4	66.7	0	0	0	0	112.9	S483 T488 S489 E518 S521	S483-S485 PolarHBondContact O-N 3.44Å; S483-S485 PolarHBondContact OG-N 3.47Å; S483-S485 PolarHBondContact OG-OG 2.99Å; S485-T488 PolarHBondContact O-OG1 2.89Å; S485-S489 WeakPolarHBondContact O-CB 3.39Å; S485-S489 PolarHBondContact O-N 3.12Å; S485-S489 PolarHBondContact O-OG 2.55Å; S485-E518 PolarHBondContact OG-OE2 2.92Å; S485-S521 PolarHBondContact N-OG 3.11Å
486	S	86.6	Confident	86.6	Confident	44 Å²	44	42.2 Å²	42.2	31%	0.308	27%	0.269	S	S	.	.	H	α-helix	trans	-73.1	-35.2	175.5	-61.6	0	0	0	0	112.4	S483 A484 T488 K490 W491	S483-S486 VanDerWaalsContact O-CB 3.31Å; S483-S486 WeakPolarHBondContact O-CB 3.46Å; S483-S486 PolarHBondContact O-N 3.43Å; A484-S486 PolarHBondContact O-N 3.02Å; S486-T488 VanDerWaalsContact C-N 3.32Å; S486-T488 PolarHBondContact O-N 3.03Å; S486-K490 WeakPolarHBondContact O-CB 3.46Å; S486-K490 PolarHBondContact O-N 3.13Å; S486-W491 VanDerWaalsContact O-CD1 3.28Å
487	L	85.1	Confident	86.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-35.8	174.8	-75.5	171.4	0	0	0	112.5	I482 A484 M498 V499 L522	I482-L487 HydrophobicContact CD1-CD1 4.06Å; I482-L487 HydrophobicContact CD1-CD2 3.57Å; I482-L487 HydrophobicContact CD1-CG 3.6Å; I482-L487 HydrophobicContact CG1-CG 4.25Å; A484-L487 PolarHBondContact O-N 2.93Å; L487-M498 HydrophobicContact CD2-CB 4.21Å; L487-M498 HydrophobicContact CD2-CG 3.73Å; L487-V499 HydrophobicContact CD1-CG2 4.18Å; L487-V499 HydrophobicContact CD2-CG2 4.13Å; L487-L522 HydrophobicContact CD1-CD2 4.05Å
488	T	80.7	Confident	86.5	Confident	43 Å²	43	42.1 Å²	42.1	26%	0.264	25%	0.249	S	C	.	.	H	α-helix	trans	-88	-27.2	-177.3	54.9	0	0	0	0	113.8	A484 S485 S486 V492 L522	A484-T488 PolarHBondContact O-N 3.4Å; A484-T488 PolarHBondContact O-OG1 3.06Å; S485-T488 PolarHBondContact O-OG1 2.89Å; S486-T488 VanDerWaalsContact C-N 3.32Å; S486-T488 PolarHBondContact O-N 3.03Å; T488-V492 VanDerWaalsContact O-CG2 3.25Å; T488-V492 WeakPolarHBondContact O-CG2 3.25Å; T488-L522 HydrophobicContact CG2-CD1 4.45Å
489	S	78.3	Confident	86.5	Confident	83 Å²	83	40.3 Å²	40.3	58%	0.58	24%	0.238	S	C	*	.	H	α-helix	trans	-108.6	-43.9	-175.2	67.8	0	0	0	0	115.7	S485 W491 V492	S485-S489 WeakPolarHBondContact O-CB 3.39Å; S485-S489 PolarHBondContact O-N 3.12Å; S485-S489 PolarHBondContact O-OG 2.55Å; S489-W491 VanDerWaalsContact C-N 3.34Å; S489-V492 WeakPolarHBondContact O-CG2 3.4Å
490	K	80.8	Confident	86.3	Confident	104 Å²	104	44.7 Å²	44.7	45%	0.452	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-27.7	-178.6	-168.7	178.2	176.7	-175	0	111.9	E407 S486	E407-K490 IonicContact OE1-NZ 3.51Å; E407-K490 PolarHBondContact OE1-NZ 3.44Å; E407-K490 IonicContact OE2-NZ 2.71Å; E407-K490 PolarHBondContact OE2-NZ 3.44Å; S486-K490 WeakPolarHBondContact O-CB 3.46Å; S486-K490 PolarHBondContact O-N 3.13Å
491	W	75.4	Confident	86.1	Confident	51 Å²	51	44.7 Å²	44.7	19%	0.193	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	35.3	-171	-51	116.3	0	0	0	113.4	L403 S486 S489 G493 E494 G495 M498	L403-W491 HydrophobicContact CD1-CH2 3.5Å; L403-W491 HydrophobicContact CD1-CZ2 3.78Å; L403-W491 HydrophobicContact CD2-CH2 3.71Å; L403-W491 HydrophobicContact CD2-CZ2 3.32Å; L403-W491 HydrophobicContact CG-CH2 4.26Å; L403-W491 HydrophobicContact CG-CZ2 4.16Å; S486-W491 VanDerWaalsContact O-CD1 3.28Å; S489-W491 VanDerWaalsContact C-N 3.34Å; W491-G493 PolarHBondContact O-N 2.62Å; W491-E494 CarbonylContact O-C 3.53Å; W491-E494 PolarHBondContact O-N 3.05Å; W491-G495 PolarHBondContact O-N 3.47Å; W491-M498 HydrophobicContact CD2-CE 3.77Å; W491-M498 HydrophobicContact CE3-CE 4.15Å; W491-M498 HydrophobicContact CG-CE 4.05Å; W491-M498 HydrophobicContact CZ2-CE 4.38Å
492	V	69.5	Low	86.1	Confident	103 Å²	103	42.8 Å²	42.8	62%	0.624	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	122.5	178.5	175	0	0	0	0	110.8	T488 S489 E494	T488-V492 VanDerWaalsContact O-CG2 3.25Å; T488-V492 WeakPolarHBondContact O-CG2 3.25Å; S489-V492 WeakPolarHBondContact O-CG2 3.4Å; V492-E494 VanDerWaalsContact C-N 3.33Å
493	G	77.9	Confident	86	Confident	65 Å²	65	42.4 Å²	42.4	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-17.3	-177.8	0	0	0	0	0	114.9	W491	W491-G493 PolarHBondContact O-N 2.62Å
494	E	84.2	Confident	86	Confident	84 Å²	84	41.7 Å²	41.7	39%	0.393	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-4.3	179	-57.1	-151.8	121.4	0	0	114.1	W491 V492 E496 K497 M498	W491-E494 CarbonylContact O-C 3.53Å; W491-E494 PolarHBondContact O-N 3.05Å; V492-E494 VanDerWaalsContact C-N 3.33Å; E494-E496 PolarHBondContact O-N 3.36Å; E494-E496 VanDerWaalsContact O-N 3.09Å; E494-K497 HydrophobicContact CB-CD 4.41Å; E494-K497 WeakPolarHBondContact O-CA 3.24Å; E494-K497 VanDerWaalsContact O-CB 3.28Å; E494-K497 WeakPolarHBondContact O-CB 3.44Å; E494-K497 PolarHBondContact O-N 2.87Å; E494-K497 WeakPolarHBondContact OE1-CE 3.32Å; E494-K497 IonicContact OE1-NZ 3.62Å; E494-K497 PolarHBondContact OE1-NZ 2.98Å; E494-M498 PolarHBondContact O-N 3.42Å
495	G	87	Confident	86.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-52.6	-33.1	179.2	0	0	0	0	0	114.7	W491 K497 M498 V499	W491-G495 PolarHBondContact O-N 3.47Å; G495-K497 VanDerWaalsContact C-N 3.34Å; G495-K497 PolarHBondContact O-N 2.85Å; G495-M498 PolarHBondContact O-N 3Å; G495-V499 WeakPolarHBondContact O-CG2 3.38Å; G495-V499 PolarHBondContact O-N 3.14Å
496	E	89.8	Confident	86.4	Confident	59 Å²	59	39.7 Å²	39.7	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-36.3	172.4	-60.3	172.1	-153.2	0	0	112.8	E494 R500 R536 I537	E494-E496 PolarHBondContact O-N 3.36Å; E494-E496 VanDerWaalsContact O-N 3.09Å; E496-R500 WeakPolarHBondContact O-CG 3.43Å; E496-R500 PolarHBondContact O-N 2.99Å; E496-R500 PolarHBondContact O-NE 3.47Å; E496-R500 IonicContact OE2-NH2 2.67Å; E496-R536 HydrophobicContact CG-CB 4.06Å; E496-R536 VanDerWaalsContact OE1-CB 3.22Å; E496-R536 WeakPolarHBondContact OE1-CB 3.42Å; E496-R536 WeakPolarHBondContact OE1-CD 3.44Å; E496-I537 HydrophobicContact CG-CG1 4.32Å
497	K	90.7	Very high	86.5	Confident	69 Å²	69	39.8 Å²	39.8	30%	0.3	21%	0.214	S	C	.	.	H	α-helix	trans	-71.3	-43	173.1	-55.8	-178.3	-177.5	175.5	0	109.8	E397 M400 E494 G495 V499 R500 A501	E397-K497 WeakPolarHBondContact OE1-CE 3.43Å; E397-K497 IonicContact OE1-NZ 3.79Å; E397-K497 PolarHBondContact OE1-NZ 3.02Å; M400-K497 HydrophobicContact CE-CB 3.76Å; M400-K497 VanDerWaalsContact SD-C 3.59Å; M400-K497 HydrophobicContact SD-CB 3.8Å; E494-K497 HydrophobicContact CB-CD 4.41Å; E494-K497 WeakPolarHBondContact O-CA 3.24Å; E494-K497 VanDerWaalsContact O-CB 3.28Å; E494-K497 WeakPolarHBondContact O-CB 3.44Å; E494-K497 PolarHBondContact O-N 2.87Å; E494-K497 WeakPolarHBondContact OE1-CE 3.32Å; E494-K497 IonicContact OE1-NZ 3.62Å; E494-K497 PolarHBondContact OE1-NZ 2.98Å; G495-K497 VanDerWaalsContact C-N 3.34Å; G495-K497 PolarHBondContact O-N 2.85Å; K497-V499 PolarHBondContact O-N 3.19Å; K497-R500 PolarHBondContact O-N 3.43Å; K497-A501 WeakPolarHBondContact O-CB 3.4Å; K497-A501 PolarHBondContact O-N 3.14Å
498	M	90.6	Very high	86.8	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-45.3	-179	-171.4	60.4	68.1	0	0	112	M400 L403 I404 I408 L487 W491 E494 G495 A501 L502	M400-M498 HydrophobicContact CG-CE 3.68Å; M400-M498 HydrophobicContact CG-SD 3.8Å; M400-M498 VanDerWaalsContact SD-CA 3.59Å; M400-M498 HydrophobicContact SD-CB 4.3Å; M400-M498 HydrophobicContact SD-CE 4.04Å; M400-M498 HydrophobicContact SD-SD 4.23Å; L403-M498 HydrophobicContact CD2-CE 3.56Å; L403-M498 HydrophobicContact CD2-SD 4.16Å; I404-M498 HydrophobicContact CD1-SD 4Å; I404-M498 HydrophobicContact CG1-SD 3.89Å; I408-M498 HydrophobicContact CD1-SD 4.44Å; L487-M498 HydrophobicContact CD2-CB 4.21Å; L487-M498 HydrophobicContact CD2-CG 3.73Å; W491-M498 HydrophobicContact CD2-CE 3.77Å; W491-M498 HydrophobicContact CE3-CE 4.15Å; W491-M498 HydrophobicContact CG-CE 4.05Å; W491-M498 HydrophobicContact CZ2-CE 4.38Å; E494-M498 PolarHBondContact O-N 3.42Å; G495-M498 PolarHBondContact O-N 3Å; M498-A501 PolarHBondContact O-N 2.98Å; M498-L502 WeakPolarHBondContact O-CB 3.4Å; M498-L502 PolarHBondContact O-N 3.18Å
499	V	92.8	Very high	87.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-44.7	175.4	168.8	0	0	0	0	111.2	L487 G495 K497 A501 L502 F503 I537 E540 F541 Q544	L487-V499 HydrophobicContact CD1-CG2 4.18Å; L487-V499 HydrophobicContact CD2-CG2 4.13Å; G495-V499 WeakPolarHBondContact O-CG2 3.38Å; G495-V499 PolarHBondContact O-N 3.14Å; K497-V499 PolarHBondContact O-N 3.19Å; V499-A501 PolarHBondContact O-N 3.46Å; V499-L502 PolarHBondContact O-N 3.41Å; V499-F503 HydrophobicContact CG1-CD2 4.32Å; V499-F503 HydrophobicContact CG1-CE2 4.41Å; V499-F503 WeakPolarHBondContact O-CD2 3.19Å; V499-F503 PolarHBondContact O-N 2.84Å; V499-I537 HydrophobicContact CG2-CG2 3.97Å; V499-E540 HydrophobicContact CB-CG 4.35Å; V499-E540 HydrophobicContact CG1-CG 4.07Å; V499-F541 HydrophobicContact CG1-CB 4.16Å; V499-F541 HydrophobicContact CG1-CD2 4.22Å; V499-Q544 HydrophobicContact CG1-CB 4.39Å; V499-Q544 HydrophobicContact CG1-CG 4Å
500	R	91.4	Very high	87.8	Confident	103 Å²	103	40.7 Å²	40.7	39%	0.389	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-42.6	175.1	-77.9	178.1	-79.6	-176.7	-14.2	112.5	E496 K497 A504 E540 Q544	E496-R500 WeakPolarHBondContact O-CG 3.43Å; E496-R500 PolarHBondContact O-N 2.99Å; E496-R500 PolarHBondContact O-NE 3.47Å; E496-R500 IonicContact OE2-NH2 2.67Å; K497-R500 PolarHBondContact O-N 3.43Å; R500-A504 VanDerWaalsContact O-CB 3.3Å; R500-A504 WeakPolarHBondContact O-CB 3.39Å; R500-A504 PolarHBondContact O-N 3.31Å; R500-E540 WeakPolarHBondContact CD-OE1 3.24Å; R500-E540 VanDerWaalsContact CG-CD 3.43Å; R500-E540 HydrophobicContact CG-CG 3.89Å; R500-E540 WeakPolarHBondContact CG-OE1 3.35Å; R500-E540 IonicContact CZ-OE2 2.81Å; R500-E540 IonicContact NE-OE2 2.77Å; R500-Q544 HydrophobicContact CG-CG 4.42Å
501	A	91.9	Very high	88.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-43.2	177.8	0	0	0	0	0	112.3	I396 M400 I404 K497 M498 V499 F503 A504 V505	I396-A501 HydrophobicContact CG2-CB 3.65Å; M400-A501 HydrophobicContact CE-CB 3.64Å; M400-A501 HydrophobicContact CG-CB 3.87Å; M400-A501 HydrophobicContact SD-CB 3.86Å; I404-A501 VanDerWaalsContact CD1-C 3.49Å; I404-A501 HydrophobicContact CD1-CB 3.43Å; I404-A501 VanDerWaalsContact CD1-CB 3.43Å; K497-A501 WeakPolarHBondContact O-CB 3.4Å; K497-A501 PolarHBondContact O-N 3.14Å; M498-A501 PolarHBondContact O-N 2.98Å; V499-A501 PolarHBondContact O-N 3.46Å; A501-F503 PolarHBondContact O-N 3.48Å; A501-A504 PolarHBondContact O-N 2.66Å; A501-A504 VanDerWaalsContact O-N 3.14Å; A501-V505 WeakPolarHBondContact O-CG2 3.39Å; A501-V505 PolarHBondContact O-N 2.8Å
502	L	93.2	Very high	89.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-49.6	177.7	178.6	59.7	0	0	0	111.5	I404 I408 F480 I482 M498 V499 A504 V505 A506 I514	I404-L502 HydrophobicContact CD1-CB 4.39Å; I404-L502 HydrophobicContact CG2-CD1 4.02Å; I408-L502 HydrophobicContact CG2-CD1 3.86Å; F480-L502 HydrophobicContact CB-CD1 4.14Å; F480-L502 HydrophobicContact CD1-CD1 4Å; F480-L502 HydrophobicContact CG-CD1 4.21Å; I482-L502 HydrophobicContact CD1-CD2 4.3Å; I482-L502 HydrophobicContact CG2-CD2 4.23Å; M498-L502 WeakPolarHBondContact O-CB 3.4Å; M498-L502 PolarHBondContact O-N 3.18Å; V499-L502 PolarHBondContact O-N 3.41Å; L502-A504 VanDerWaalsContact C-N 3.34Å; L502-A504 PolarHBondContact O-N 2.84Å; L502-V505 PolarHBondContact O-N 3.39Å; L502-A506 WeakPolarHBondContact O-CB 3.33Å; L502-A506 PolarHBondContact O-N 3.42Å; L502-I514 HydrophobicContact CD2-CG2 4.01Å; L502-I514 HydrophobicContact CG-CG2 4.42Å
503	F	92.6	Very high	90.3	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-69.2	-29.5	176.5	-82	-99.3	0	0	0	112.9	V499 A501 R507 I514 F541 Q544 A548 V558	V499-F503 HydrophobicContact CG1-CD2 4.32Å; V499-F503 HydrophobicContact CG1-CE2 4.41Å; V499-F503 WeakPolarHBondContact O-CD2 3.19Å; V499-F503 PolarHBondContact O-N 2.84Å; A501-F503 PolarHBondContact O-N 3.48Å; F503-R507 WeakPolarHBondContact O-CB 3.41Å; F503-R507 VanDerWaalsContact O-CG 3.24Å; F503-R507 WeakPolarHBondContact O-CG 3.23Å; F503-R507 PolarHBondContact O-N 3Å; F503-I514 HydrophobicContact CD1-CD1 3.94Å; F503-I514 HydrophobicContact CD2-CD1 4.27Å; F503-I514 HydrophobicContact CE1-CD1 3.95Å; F503-I514 HydrophobicContact CE2-CD1 4.28Å; F503-I514 HydrophobicContact CG-CD1 4.13Å; F503-I514 HydrophobicContact CZ-CD1 4.13Å; F503-F541 AromaticContact CE2-CD2 3.98Å; F503-F541 HydrophobicContact CE2-CD2 3.98Å; F503-F541 AromaticContact CE2-CE2 3.76Å; F503-F541 HydrophobicContact CE2-CE2 3.76Å; F503-F541 HydrophobicContact CZ-CD2 4.44Å; F503-F541 AromaticContact CZ-CE2 3.91Å; F503-F541 HydrophobicContact CZ-CE2 3.91Å; F503-F541 HydrophobicContact CZ-CZ 4.48Å; F503-Q544 HydrophobicContact CB-CB 4.21Å; F503-Q544 HydrophobicContact CB-CG 4.27Å; F503-Q544 HydrophobicContact CD1-CB 3.95Å; F503-Q544 HydrophobicContact CD2-CB 3.61Å; F503-Q544 HydrophobicContact CD2-CG 4.11Å; F503-Q544 HydrophobicContact CE1-CB 4.14Å; F503-Q544 HydrophobicContact CE2-CB 3.81Å; F503-Q544 HydrophobicContact CG-CB 3.66Å; F503-Q544 HydrophobicContact CG-CG 4.2Å; F503-Q544 HydrophobicContact CZ-CB 4.07Å; F503-A548 HydrophobicContact CD1-CB 4.31Å; F503-A548 HydrophobicContact CE1-CB 4.25Å; F503-V558 HydrophobicContact CE1-CG2 3.97Å; F503-V558 HydrophobicContact CZ-CG2 3.9Å
504	A	91.1	Very high	91.2	Very high	12 Å²	12	26.4 Å²	26.4	10%	0.099	12%	0.124	C	C	.	.	H	α-helix	trans	-70.7	-42.7	174.5	0	0	0	0	0	112.6	L393 I396 R500 A501 L502 R507 C508	L393-A504 HydrophobicContact CD2-CB 3.96Å; I396-A504 HydrophobicContact CD1-CB 3.33Å; R500-A504 VanDerWaalsContact O-CB 3.3Å; R500-A504 WeakPolarHBondContact O-CB 3.39Å; R500-A504 PolarHBondContact O-N 3.31Å; A501-A504 PolarHBondContact O-N 2.66Å; A501-A504 VanDerWaalsContact O-N 3.14Å; L502-A504 VanDerWaalsContact C-N 3.34Å; L502-A504 PolarHBondContact O-N 2.84Å; A504-R507 WeakPolarHBondContact O-CB 3.27Å; A504-R507 PolarHBondContact O-N 2.67Å; A504-R507 VanDerWaalsContact O-N 3.16Å; A504-C508 PolarHBondContact O-N 2.95Å; A504-C508 PolarHBondContact O-SG 2.82Å
505	V	92.1	Very high	91.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-42.8	174.9	176	0	0	0	0	110.3	L393 V401 I404 M405 F480 A501 L502 R507 C508 Q509	L393-V505 HydrophobicContact CD2-CG2 3.91Å; V401-V505 HydrophobicContact CB-CG2 4.48Å; V401-V505 HydrophobicContact CG1-CG2 3.98Å; V401-V505 HydrophobicContact CG2-CG2 4.29Å; I404-V505 HydrophobicContact CD1-CG2 4.43Å; I404-V505 HydrophobicContact CG2-CB 4.09Å; I404-V505 HydrophobicContact CG2-CG1 4.01Å; I404-V505 HydrophobicContact CG2-CG2 4.29Å; M405-V505 HydrophobicContact CG-CG1 4.27Å; F480-V505 HydrophobicContact CE1-CG1 3.88Å; F480-V505 HydrophobicContact CZ-CG1 3.98Å; A501-V505 WeakPolarHBondContact O-CG2 3.39Å; A501-V505 PolarHBondContact O-N 2.8Å; L502-V505 PolarHBondContact O-N 3.39Å; V505-R507 PolarHBondContact O-N 2.84Å; V505-C508 PolarHBondContact O-N 3.31Å; V505-Q509 HydrophobicContact CG1-CG 4.3Å; V505-Q509 WeakPolarHBondContact O-CG 3.44Å; V505-Q509 PolarHBondContact O-N 3.43Å
506	A	92.5	Very high	92.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-26.4	172.3	0	0	0	0	0	113.5	F480 L502 Q510 A512 I514 I556	F480-A506 HydrophobicContact CD2-CB 4.24Å; F480-A506 HydrophobicContact CE2-CB 3.85Å; F480-A506 HydrophobicContact CZ-CB 4.35Å; L502-A506 WeakPolarHBondContact O-CB 3.33Å; L502-A506 PolarHBondContact O-N 3.42Å; A506-Q510 WeakPolarHBondContact O-CG 3.35Å; A506-A512 HydrophobicContact CB-CB 4.03Å; A506-I514 HydrophobicContact CB-CD1 3.82Å; A506-I514 HydrophobicContact CB-CG1 4.1Å; A506-I556 HydrophobicContact CB-CD1 4.04Å
507	R	90	Very high	92.4	Very high	46 Å²	46	21.1 Å²	21.1	17%	0.174	10%	0.1	C	C	.	.	H	α-helix	trans	-76.8	-15.1	171	-77.6	178.1	-172.8	110.3	2.4	114.7	R392 F503 A504 V505 D554 I556	R392-R507 PolarHBondContact NH1-O 2.83Å; F503-R507 WeakPolarHBondContact O-CB 3.41Å; F503-R507 VanDerWaalsContact O-CG 3.24Å; F503-R507 WeakPolarHBondContact O-CG 3.23Å; F503-R507 PolarHBondContact O-N 3Å; A504-R507 WeakPolarHBondContact O-CB 3.27Å; A504-R507 PolarHBondContact O-N 2.67Å; A504-R507 VanDerWaalsContact O-N 3.16Å; V505-R507 PolarHBondContact O-N 2.84Å; R507-D554 IonicContact CZ-OD2 3.53Å; R507-D554 IonicContact NE-OD2 2.68Å; R507-D554 PolarHBondContact NE-OD2 3.05Å; R507-D554 IonicContact NH2-OD2 2.69Å; R507-I556 HydrophobicContact CB-CD1 4.34Å; R507-I556 HydrophobicContact CG-CD1 3.48Å; R507-I556 VanDerWaalsContact CG-CD1 3.48Å
508	C	89.9	Confident	92.6	Very high	31 Å²	31	21.8 Å²	21.8	21%	0.209	10%	0.104	C	C	.	.	H	α-helix	trans	-90.3	-38	170.6	-55.1	0	0	0	0	110.3	D390 A504 V505 Q510	D390-C508 WeakPolarHBondContact OD2-CB 3.26Å; A504-C508 PolarHBondContact O-N 2.95Å; A504-C508 PolarHBondContact O-SG 2.82Å; V505-C508 PolarHBondContact O-N 3.31Å; C508-Q510 VanDerWaalsContact C-N 3.34Å; C508-Q510 PolarHBondContact O-N 3Å
509	Q	90.3	Very high	92.8	Very high	73 Å²	73	21.6 Å²	21.6	34%	0.341	10%	0.103	S	C	.	.	S	Bend	trans	-90.9	34.8	-175.3	-60.8	-66.1	-12.8	0	0	113.9	M409 T478 F480 V505 P511	M409-Q509 HydrophobicContact CE-CG 3.87Å; T478-Q509 HydrophobicContact CG2-CB 4.06Å; T478-Q509 PolarHBondContact OG1-O 3.24Å; F480-Q509 HydrophobicContact CE2-CB 4.34Å; F480-Q509 HydrophobicContact CZ-CB 4.05Å; F480-Q509 HydrophobicContact CZ-CG 4.23Å; V505-Q509 HydrophobicContact CG1-CG 4.3Å; V505-Q509 WeakPolarHBondContact O-CG 3.44Å; V505-Q509 PolarHBondContact O-N 3.43Å; Q509-P511 CarbonylContact O-C 3.6Å
510	Q	89.6	Confident	92.8	Very high	42 Å²	42	22.2 Å²	22.2	20%	0.196	11%	0.107	C	C	.	.			trans	-78	138.3	-176.2	-68	-173	11.9	0	0	113.2	A506 C508 E553 D554 R555 I556	A506-Q510 WeakPolarHBondContact O-CG 3.35Å; C508-Q510 VanDerWaalsContact C-N 3.34Å; C508-Q510 PolarHBondContact O-N 3Å; Q510-E553 PolarHBondContact OE1-O 3.49Å; Q510-D554 PolarHBondContact NE2-OD1 3.32Å; Q510-R555 HydrophobicContact CB-CB 4.47Å; Q510-R555 PolarHBondContact O-NH2 2.67Å; Q510-I556 HydrophobicContact CG-CG1 4.08Å
511	P	91.9	Very high	92.8	Very high	23 Å²	23	19.5 Å²	19.5	15%	0.149	10%	0.103	C	C	.	.	S	Bend	cis	-78	140.9	7.5	30.5	-32.8	0	0	0	113.1	M438 A477 T478 Q509 R555	M438-P511 HydrophobicContact CE-CB 3.8Å; A477-P511 CarbonylContact C-O 3.5Å; A477-P511 WeakPolarHBondContact CA-O 3Å; A477-P511 HydrophobicContact CB-CB 4.11Å; A477-P511 HydrophobicContact CB-CG 4.16Å; A477-P511 VanDerWaalsContact CB-O 3.27Å; A477-P511 WeakPolarHBondContact CB-O 3.39Å; T478-P511 PolarHBondContact N-O 3.09Å; Q509-P511 CarbonylContact O-C 3.6Å; P511-R555 WeakPolarHBondContact CA-O 3.37Å; P511-R555 HydrophobicContact CB-CB 4.24Å
512	A	92.9	Very high	92.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.5	-172.5	0	0	0	0	0	113.1	F480 A506 R555 I556 L557	F480-A512 HydrophobicContact CD2-CB 4.37Å; F480-A512 HydrophobicContact CE2-CB 3.97Å; A506-A512 HydrophobicContact CB-CB 4.03Å; A512-R555 PolarHBondContact N-O 3.16Å; A512-I556 HydrophobicContact CB-CG1 4.43Å; A512-I556 WeakPolarHBondContact O-CA 3.37Å; A512-L557 PolarHBondContact O-N 2.69Å
513	V	94.8	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	175.2	177.4	0	0	0	0	108.6	M438 I471 A472 A477 T478 F479 F480 L557 V559	M438-V513 HydrophobicContact CE-CG2 4.19Å; I471-V513 HydrophobicContact CG2-CG2 4.21Å; A472-V513 HydrophobicContact CB-CB 4.01Å; A472-V513 HydrophobicContact CB-CG1 4.49Å; A472-V513 HydrophobicContact CB-CG2 3.95Å; A477-V513 HydrophobicContact CB-CG2 3.94Å; T478-V513 PolarHBondContact O-N 3.25Å; F479-V513 HydrophobicContact CD2-CB 4.17Å; F479-V513 HydrophobicContact CD2-CG1 3.91Å; F479-V513 HydrophobicContact CE2-CG1 4.07Å; F480-V513 PolarHBondContact N-O 3.21Å; V513-L557 WeakPolarHBondContact CA-O 3.42Å; V513-L557 HydrophobicContact CG1-CD2 4.28Å; V513-L557 HydrophobicContact CG2-CB 4.4Å; V513-L557 HydrophobicContact CG2-CD2 4.25Å; V513-V559 HydrophobicContact CG1-CG2 3.77Å
514	I	95.8	Very high	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.1	175.4	-53.7	174.5	0	0	0	108	F480 L502 F503 A506 I516 I556 L557 V558 V559	F480-I514 HydrophobicContact CB-CG1 4.49Å; F480-I514 HydrophobicContact CD2-CG1 4.43Å; L502-I514 HydrophobicContact CD2-CG2 4.01Å; L502-I514 HydrophobicContact CG-CG2 4.42Å; F503-I514 HydrophobicContact CD1-CD1 3.94Å; F503-I514 HydrophobicContact CD2-CD1 4.27Å; F503-I514 HydrophobicContact CE1-CD1 3.95Å; F503-I514 HydrophobicContact CE2-CD1 4.28Å; F503-I514 HydrophobicContact CG-CD1 4.13Å; F503-I514 HydrophobicContact CZ-CD1 4.13Å; A506-I514 HydrophobicContact CB-CD1 3.82Å; A506-I514 HydrophobicContact CB-CG1 4.1Å; I514-I516 HydrophobicContact CG2-CD1 4.37Å; I514-I516 HydrophobicContact CG2-CG1 4.12Å; I514-I556 HydrophobicContact CD1-CG2 3.87Å; I514-I556 HydrophobicContact CG1-CG2 4.19Å; I514-L557 PolarHBondContact N-O 2.59Å; I514-V558 HydrophobicContact CB-CG2 4.43Å; I514-V558 CarbonylContact O-C 3.57Å; I514-V558 WeakPolarHBondContact O-CA 3.49Å; I514-V559 PolarHBondContact O-N 3.15Å
515	F	96.6	Very high	92	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.5	175.4	-178.4	-87.2	0	0	0	111	T465 F479 F480 I482 D517 V559 A561	T465-F515 VanDerWaalsContact CA-CZ 3.5Å; T465-F515 HydrophobicContact CG2-CD1 4.38Å; T465-F515 HydrophobicContact CG2-CE1 3.69Å; T465-F515 HydrophobicContact CG2-CZ 3.99Å; F479-F515 HydrophobicContact CD2-CB 4.37Å; F479-F515 HydrophobicContact CE1-CB 4.37Å; F479-F515 HydrophobicContact CE2-CB 3.37Å; F479-F515 HydrophobicContact CE2-CD2 4.4Å; F479-F515 HydrophobicContact CE2-CG 4.03Å; F479-F515 HydrophobicContact CZ-CB 3.36Å; F479-F515 HydrophobicContact CZ-CD1 4.18Å; F479-F515 HydrophobicContact CZ-CD2 4.22Å; F479-F515 AromaticContact CZ-CG 3.67Å; F479-F515 HydrophobicContact CZ-CG 3.67Å; F480-F515 PolarHBondContact O-N 2.82Å; I482-F515 PolarHBondContact N-O 3.01Å; F515-D517 HydrophobicContact CE1-CB 3.74Å; F515-D517 WeakPolarHBondContact CE1-OD2 3.37Å; F515-D517 HydrophobicContact CZ-CB 4.47Å; F515-V559 CarbonylContact C-O 3.59Å; F515-V559 WeakPolarHBondContact CA-O 3.34Å; F515-V559 HydrophobicContact CD2-CB 3.93Å; F515-V559 HydrophobicContact CD2-CG1 3.65Å; F515-V559 HydrophobicContact CE2-CG1 4.04Å; F515-A561 HydrophobicContact CE1-CB 4.28Å; F515-A561 HydrophobicContact CE2-CB 3.79Å; F515-A561 HydrophobicContact CZ-CB 3.39Å
516	I	95.8	Very high	91.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	103.2	-176.1	-52.4	174.8	0	0	0	108.2	I482 A484 I514 I519 F541 V558 V559 A561	I482-I516 HydrophobicContact CG2-CB 4.5Å; I482-I516 HydrophobicContact CG2-CG1 3.98Å; I482-I516 HydrophobicContact CG2-CG2 4.49Å; I482-I516 CarbonylContact O-C 3.41Å; I482-I516 VanDerWaalsContact O-CA 3.27Å; I482-I516 WeakPolarHBondContact O-CA 3.39Å; A484-I516 HydrophobicContact CB-CG2 4.03Å; I514-I516 HydrophobicContact CG2-CD1 4.37Å; I514-I516 HydrophobicContact CG2-CG1 4.12Å; I516-I519 HydrophobicContact CB-CB 4.5Å; I516-I519 HydrophobicContact CB-CD1 4.14Å; I516-I519 HydrophobicContact CB-CG1 4.32Å; I516-I519 HydrophobicContact CD1-CD1 4.26Å; I516-I519 HydrophobicContact CG2-CB 4.06Å; I516-I519 HydrophobicContact CG2-CD1 4.2Å; I516-I519 HydrophobicContact CG2-CG1 3.87Å; I516-F541 HydrophobicContact CD1-CD2 4.38Å; I516-F541 HydrophobicContact CD1-CE1 4.5Å; I516-F541 HydrophobicContact CD1-CE2 3.26Å; I516-F541 HydrophobicContact CD1-CZ 3.32Å; I516-V558 HydrophobicContact CD1-CG1 4.01Å; I516-V559 PolarHBondContact N-O 2.77Å; I516-A561 PolarHBondContact O-N 3.35Å
517	D	94.8	Very high	90.6	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.182	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	153.2	174.6	-132.2	-37.7	0	0	0	111.3	T465 I482 A484 F515 I519	T465-D517 PolarHBondContact OG1-OD2 3.28Å; I482-D517 PolarHBondContact O-N 3.31Å; A484-D517 WeakPolarHBondContact CB-O 3.46Å; A484-D517 PolarHBondContact N-O 2.92Å; F515-D517 HydrophobicContact CE1-CB 3.74Å; F515-D517 WeakPolarHBondContact CE1-OD2 3.37Å; F515-D517 HydrophobicContact CZ-CB 4.47Å; D517-I519 PolarHBondContact O-N 3.26Å
518	E	94.1	Very high	89.7	Confident	83 Å²	83	40.6 Å²	40.6	39%	0.388	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	37.8	-176.6	-53.3	179.8	128.1	0	0	113.4	S483 A484 S485 D520 S521 A561	S483-E518 PolarHBondContact OG-OE2 3.25Å; S483-E518 VanDerWaalsContact OG-OE2 3.09Å; A484-E518 WeakPolarHBondContact CB-O 3.31Å; S485-E518 PolarHBondContact OG-OE2 2.92Å; E518-D520 PolarHBondContact O-N 2.97Å; E518-S521 WeakPolarHBondContact O-CB 3.24Å; E518-S521 PolarHBondContact O-N 3.38Å; E518-S521 PolarHBondContact O-OG 3.45Å; E518-A561 PolarHBondContact N-O 3.26Å; E518-A561 VanDerWaalsContact N-O 3.15Å
519	I	94.6	Very high	88.9	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.2	-170.9	-161.8	171.5	0	0	0	113.8	L455 I516 D517 S521 L522 L523 A561 I568 L576	L455-I519 HydrophobicContact CD1-CG2 3.85Å; I516-I519 HydrophobicContact CB-CB 4.5Å; I516-I519 HydrophobicContact CB-CD1 4.14Å; I516-I519 HydrophobicContact CB-CG1 4.32Å; I516-I519 HydrophobicContact CD1-CD1 4.26Å; I516-I519 HydrophobicContact CG2-CB 4.06Å; I516-I519 HydrophobicContact CG2-CD1 4.2Å; I516-I519 HydrophobicContact CG2-CG1 3.87Å; D517-I519 PolarHBondContact O-N 3.26Å; I519-S521 PolarHBondContact O-N 2.67Å; I519-L522 PolarHBondContact O-N 2.73Å; I519-L522 VanDerWaalsContact O-N 3.12Å; I519-L523 HydrophobicContact CD1-CD1 3.67Å; I519-L523 HydrophobicContact CG1-CD1 3.65Å; I519-L523 HydrophobicContact CG1-CG 4.02Å; I519-L523 PolarHBondContact O-N 2.81Å; I519-A561 WeakPolarHBondContact CG2-O 3.25Å; I519-A561 PolarHBondContact N-O 2.86Å; I519-I568 HydrophobicContact CG2-CD1 4.07Å; I519-L576 HydrophobicContact CD1-CD1 4.18Å
520	D	92.8	Very high	88.5	Confident	15 Å²	15	41.1 Å²	41.1	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-52.7	-37.6	167	39	-63.4	0	0	0	113	E518 L522 L523 S524 T562 R564 E567 I568	E518-D520 PolarHBondContact O-N 2.97Å; D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.12Å; D520-L523 PolarHBondContact O-N 3.28Å; D520-S524 WeakPolarHBondContact O-CA 3.37Å; D520-S524 VanDerWaalsContact O-CB 3.24Å; D520-S524 WeakPolarHBondContact O-CB 3.4Å; D520-S524 PolarHBondContact O-N 3.45Å; D520-T562 WeakPolarHBondContact OD1-CA 3.32Å; D520-T562 WeakPolarHBondContact OD1-CB 3.5Å; D520-T562 PolarHBondContact OD1-OG1 2.68Å; D520-R564 HydrophobicContact CB-CB 4.39Å; D520-E567 HydrophobicContact CB-CB 4.36Å; D520-I568 HydrophobicContact CB-CG1 4.15Å
521	S	90.7	Very high	88.3	Confident	45 Å²	45	46.4 Å²	46.4	32%	0.315	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-17.8	177.4	67.8	0	0	0	0	114.9	A484 S485 E518 I519	A484-S521 WeakPolarHBondContact CB-OG 3.29Å; S485-S521 PolarHBondContact N-OG 3.11Å; E518-S521 WeakPolarHBondContact O-CB 3.24Å; E518-S521 PolarHBondContact O-N 3.38Å; E518-S521 PolarHBondContact O-OG 3.45Å; I519-S521 PolarHBondContact O-N 2.67Å
522	L	90.2	Very high	88	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-101.8	-30.8	174.1	173.4	64.4	0	0	0	112.4	A484 L487 T488 I519 D520 I537 K538 F541	A484-L522 HydrophobicContact CB-CB 3.66Å; L487-L522 HydrophobicContact CD1-CD2 4.05Å; T488-L522 HydrophobicContact CG2-CD1 4.45Å; I519-L522 PolarHBondContact O-N 2.73Å; I519-L522 VanDerWaalsContact O-N 3.12Å; D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.12Å; L522-I537 HydrophobicContact CD1-CB 4.44Å; L522-I537 HydrophobicContact CD1-CG2 3.81Å; L522-K538 HydrophobicContact CD1-CB 4.5Å; L522-K538 WeakPolarHBondContact O-CD 3.3Å; L522-F541 HydrophobicContact CD2-CB 4.42Å; L522-F541 HydrophobicContact CD2-CD1 4.47Å; L522-F541 HydrophobicContact CD2-CD2 4.16Å; L522-F541 HydrophobicContact CD2-CG 4.05Å
523	L	90.8	Very high	87.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-114.7	16.6	-171.3	-56.7	-176.1	0	0	0	113.8	I519 D520 K538 F541 L542 I568 D569 A572	I519-L523 HydrophobicContact CD1-CD1 3.67Å; I519-L523 HydrophobicContact CG1-CD1 3.65Å; I519-L523 HydrophobicContact CG1-CG 4.02Å; I519-L523 PolarHBondContact O-N 2.81Å; D520-L523 PolarHBondContact O-N 3.28Å; L523-K538 HydrophobicContact CD2-CD 4.47Å; L523-K538 HydrophobicContact CD2-CG 3.92Å; L523-K538 PolarHBondContact O-NZ 2.91Å; L523-F541 HydrophobicContact CD1-CD1 4.19Å; L523-F541 HydrophobicContact CD1-CE1 3.87Å; L523-F541 HydrophobicContact CD2-CD1 3.81Å; L523-F541 HydrophobicContact CD2-CE1 4.34Å; L523-L542 HydrophobicContact CD2-CD2 4.4Å; L523-I568 HydrophobicContact CB-CG2 4.31Å; L523-D569 PolarHBondContact O-N 3.36Å; L523-A572 HydrophobicContact CB-CB 3.78Å; L523-A572 HydrophobicContact CD1-CB 3.59Å; L523-A572 HydrophobicContact CG-CB 4.15Å
524	S	88.5	Confident	87.3	Confident	31 Å²	31	53.4 Å²	53.4	22%	0.217	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-50.5	155.7	175.9	53.5	0	0	0	0	114	D520 R526 K538 E567	D520-S524 WeakPolarHBondContact O-CA 3.37Å; D520-S524 VanDerWaalsContact O-CB 3.24Å; D520-S524 WeakPolarHBondContact O-CB 3.4Å; D520-S524 PolarHBondContact O-N 3.45Å; S524-R526 PolarHBondContact O-N 2.77Å; S524-K538 PolarHBondContact O-NZ 3.5Å; S524-E567 CarbonylContact C-O 3.54Å; S524-E567 VanDerWaalsContact CA-O 3.24Å; S524-E567 WeakPolarHBondContact CA-O 3.48Å
525	Q	83.5	Confident	86.9	Confident	126 Å²	126	56.7 Å²	56.7	59%	0.589	31%	0.311	S	S	*	.			trans	-57.9	134.1	175.2	-64.4	-178.8	35	0	0	111.6	G527 Q566 E567 D569	Q525-G527 PolarHBondContact O-N 3.06Å; Q525-G527 VanDerWaalsContact O-N 3.15Å; Q525-Q566 PolarHBondContact NE2-O 3.21Å; Q525-Q566 VanDerWaalsContact NE2-O 3.12Å; Q525-E567 WeakPolarHBondContact CG-O 3.34Å; Q525-E567 PolarHBondContact N-O 3.3Å; Q525-D569 HydrophobicContact CG-CB 4.45Å
526	R	79.2	Confident	86.6	Confident	145 Å²	145	62.7 Å²	62.7	55%	0.547	33%	0.334	S	S	.	.			trans	-69.4	108.6	-178	-67.3	-179.6	177.1	-158.3	-8.7	110.1	S524 T539	S524-R526 PolarHBondContact O-N 2.77Å; R526-T539 PolarHBondContact NH2-OG1 3.13Å
527	G	77.1	Confident	86.4	Confident	38 Å²	38	62.9 Å²	62.9	39%	0.392	34%	0.335	S	S	.	.			trans	-103.3	155.2	173	0	0	0	0	0	112.3	Q525 G529 E530 R535	Q525-G527 PolarHBondContact O-N 3.06Å; Q525-G527 VanDerWaalsContact O-N 3.15Å; G527-G529 PolarHBondContact O-N 3.4Å; G527-E530 VanDerWaalsContact O-CB 3.26Å; G527-E530 WeakPolarHBondContact O-CB 3.33Å; G527-E530 PolarHBondContact O-N 3.47Å; G527-R535 PolarHBondContact O-NH2 3.15Å
528	D	69.1	Low	86.2	Confident	166 Å²	166	61.3 Å²	61.3	89%	0.888	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.8	-176	-71.9	-49.9	0	0	0	114	R535	D528-R535 PolarHBondContact O-NH2 3.14Å
529	G	75.1	Confident	86.1	Confident	82 Å²	82	60.3 Å²	60.3	85%	0.845	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	2.6	174.1	0	0	0	0	0	116	G527	G527-G529 PolarHBondContact O-N 3.4Å
530	E	81.6	Confident	86	Confident	33 Å²	33	62 Å²	62	15%	0.154	33%	0.334	C	S	.	.	S	Bend	trans	-69.7	133.3	-179.8	-170.2	-163.8	169.4	0	0	112	G527 E532 S534 R535	G527-E530 VanDerWaalsContact O-CB 3.26Å; G527-E530 WeakPolarHBondContact O-CB 3.33Å; G527-E530 PolarHBondContact O-N 3.47Å; E530-E532 PolarHBondContact O-N 2.9Å; E530-S534 VanDerWaalsContact OE1-CB 3.25Å; E530-S534 WeakPolarHBondContact OE1-CB 3.31Å; E530-S534 PolarHBondContact OE1-OG 2.75Å; E530-R535 HydrophobicContact CB-CG 4.47Å; E530-R535 HydrophobicContact CG-CG 4.09Å; E530-R535 PolarHBondContact OE1-N 2.94Å; E530-R535 VanDerWaalsContact OE2-CG 3.24Å; E530-R535 WeakPolarHBondContact OE2-CG 3.28Å; E530-R535 IonicContact OE2-NE 3.73Å
531	H	84.7	Confident	86	Confident	153 Å²	153	61.3 Å²	61.3	71%	0.708	33%	0.33	S	S	*	.			trans	-60.3	133.4	174.4	-75.4	-58	0	0	0	112.4	S533 S534 R535	H531-S533 PolarHBondContact O-N 2.94Å; H531-S533 VanDerWaalsContact O-N 3.11Å; H531-S534 WeakPolarHBondContact O-CB 3.37Å; H531-S534 PolarHBondContact O-N 2.94Å; H531-R535 PolarHBondContact O-N 2.77Å
532	E	86.2	Confident	86	Confident	95 Å²	95	59.7 Å²	59.7	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-55	-29.6	178.3	174.9	61	-173.2	0	0	113.9	E530 R536	E530-E532 PolarHBondContact O-N 2.9Å; E532-R536 WeakPolarHBondContact O-CG 3.17Å; E532-R536 PolarHBondContact O-N 3.09Å; E532-R536 IonicContact OE1-CZ 3.11Å; E532-R536 VanDerWaalsContact OE1-CZ 3.23Å; E532-R536 IonicContact OE1-NE 3.7Å; E532-R536 PolarHBondContact OE1-NE 3.26Å; E532-R536 IonicContact OE1-NH2 2.73Å; E532-R536 PolarHBondContact OE1-NH2 3.25Å
533	S	85.9	Confident	86.1	Confident	54 Å²	54	63.5 Å²	63.5	38%	0.378	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-45.2	172.6	47.7	0	0	0	0	112.7	H531 R536 I537	H531-S533 PolarHBondContact O-N 2.94Å; H531-S533 VanDerWaalsContact O-N 3.11Å; S533-R536 PolarHBondContact O-N 3.42Å; S533-I537 VanDerWaalsContact O-CG1 3.29Å; S533-I537 WeakPolarHBondContact O-CG1 3.49Å; S533-I537 PolarHBondContact O-N 3.41Å
534	S	86.4	Confident	86.1	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-49.6	175.2	174.6	0	0	0	0	110.6	E530 H531 R536 I537 K538	E530-S534 VanDerWaalsContact OE1-CB 3.25Å; E530-S534 WeakPolarHBondContact OE1-CB 3.31Å; E530-S534 PolarHBondContact OE1-OG 2.75Å; H531-S534 WeakPolarHBondContact O-CB 3.37Å; H531-S534 PolarHBondContact O-N 2.94Å; S534-R536 PolarHBondContact O-N 2.73Å; S534-R536 VanDerWaalsContact O-N 3.16Å; S534-I537 PolarHBondContact O-N 3.42Å; S534-K538 VanDerWaalsContact O-CB 3.26Å; S534-K538 WeakPolarHBondContact O-CB 3.36Å; S534-K538 PolarHBondContact O-N 3.46Å
535	R	87.9	Confident	86.2	Confident	69 Å²	69	63.5 Å²	63.5	26%	0.26	34%	0.338	S	S	.	.	H	α-helix	trans	-54	-38.2	178.7	-68	179.1	173.9	169.8	3.3	112.9	G527 D528 E530 H531 T539	G527-R535 PolarHBondContact O-NH2 3.15Å; D528-R535 PolarHBondContact O-NH2 3.14Å; E530-R535 HydrophobicContact CB-CG 4.47Å; E530-R535 HydrophobicContact CG-CG 4.09Å; E530-R535 PolarHBondContact OE1-N 2.94Å; E530-R535 VanDerWaalsContact OE2-CG 3.24Å; E530-R535 WeakPolarHBondContact OE2-CG 3.28Å; E530-R535 IonicContact OE2-NE 3.73Å; H531-R535 PolarHBondContact O-N 2.77Å; R535-T539 VanDerWaalsContact O-CB 3.31Å; R535-T539 WeakPolarHBondContact O-CB 3.24Å; R535-T539 PolarHBondContact O-N 2.83Å; R535-T539 PolarHBondContact O-OG1 3.3Å
536	R	89.9	Confident	86.4	Confident	126 Å²	126	60 Å²	60	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-75.5	-47.9	177.6	-68.2	176.1	-166.9	-177.7	4.2	113.2	E496 E532 S533 S534 K538 T539 E540	E496-R536 HydrophobicContact CG-CB 4.06Å; E496-R536 VanDerWaalsContact OE1-CB 3.22Å; E496-R536 WeakPolarHBondContact OE1-CB 3.42Å; E496-R536 WeakPolarHBondContact OE1-CD 3.44Å; E532-R536 WeakPolarHBondContact O-CG 3.17Å; E532-R536 PolarHBondContact O-N 3.09Å; E532-R536 IonicContact OE1-CZ 3.11Å; E532-R536 VanDerWaalsContact OE1-CZ 3.23Å; E532-R536 IonicContact OE1-NE 3.7Å; E532-R536 PolarHBondContact OE1-NE 3.26Å; E532-R536 IonicContact OE1-NH2 2.73Å; E532-R536 PolarHBondContact OE1-NH2 3.25Å; S533-R536 PolarHBondContact O-N 3.42Å; S534-R536 PolarHBondContact O-N 2.73Å; S534-R536 VanDerWaalsContact O-N 3.16Å; R536-K538 VanDerWaalsContact C-N 3.26Å; R536-K538 PolarHBondContact O-N 3.21Å; R536-T539 PolarHBondContact O-N 2.81Å; R536-E540 PolarHBondContact O-N 3.13Å
537	I	91.3	Very high	86.4	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-43.8	177.3	-59.6	163.6	0	0	0	109.7	E496 V499 L522 S533 S534 T539 E540 F541	E496-I537 HydrophobicContact CG-CG1 4.32Å; V499-I537 HydrophobicContact CG2-CG2 3.97Å; L522-I537 HydrophobicContact CD1-CB 4.44Å; L522-I537 HydrophobicContact CD1-CG2 3.81Å; S533-I537 VanDerWaalsContact O-CG1 3.29Å; S533-I537 WeakPolarHBondContact O-CG1 3.49Å; S533-I537 PolarHBondContact O-N 3.41Å; S534-I537 PolarHBondContact O-N 3.42Å; I537-T539 PolarHBondContact O-N 2.96Å; I537-E540 PolarHBondContact O-N 3.48Å; I537-F541 WeakPolarHBondContact O-CB 3.47Å; I537-F541 PolarHBondContact O-N 3.27Å
538	K	90.9	Very high	86.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-43.3	172.6	175.5	170.5	-177.7	-175.9	0	112.9	L522 L523 S524 S534 R536 F541 L542 D569	L522-K538 HydrophobicContact CD1-CB 4.5Å; L522-K538 WeakPolarHBondContact O-CD 3.3Å; L523-K538 HydrophobicContact CD2-CD 4.47Å; L523-K538 HydrophobicContact CD2-CG 3.92Å; L523-K538 PolarHBondContact O-NZ 2.91Å; S524-K538 PolarHBondContact O-NZ 3.5Å; S534-K538 VanDerWaalsContact O-CB 3.26Å; S534-K538 WeakPolarHBondContact O-CB 3.36Å; S534-K538 PolarHBondContact O-N 3.46Å; R536-K538 VanDerWaalsContact C-N 3.26Å; R536-K538 PolarHBondContact O-N 3.21Å; K538-F541 PolarHBondContact O-N 3.08Å; K538-L542 HydrophobicContact CG-CD1 4.22Å; K538-L542 VanDerWaalsContact O-CG 3.28Å; K538-L542 WeakPolarHBondContact O-CG 3.23Å; K538-L542 PolarHBondContact O-N 3.11Å; K538-L542 VanDerWaalsContact O-N 3.09Å; K538-D569 WeakPolarHBondContact CE-OD2 3.43Å; K538-D569 VanDerWaalsContact NZ-CG 3.25Å; K538-D569 IonicContact NZ-OD2 2.67Å; K538-D569 PolarHBondContact NZ-OD2 2.69Å
539	T	91.1	Very high	86	Confident	63 Å²	63	48 Å²	48	39%	0.387	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-44.6	180	-61.2	0	0	0	0	111.5	R526 R535 R536 I537 F541 L542 V543	R526-T539 PolarHBondContact NH2-OG1 3.13Å; R535-T539 VanDerWaalsContact O-CB 3.31Å; R535-T539 WeakPolarHBondContact O-CB 3.24Å; R535-T539 PolarHBondContact O-N 2.83Å; R535-T539 PolarHBondContact O-OG1 3.3Å; R536-T539 PolarHBondContact O-N 2.81Å; I537-T539 PolarHBondContact O-N 2.96Å; T539-F541 VanDerWaalsContact C-N 3.32Å; T539-F541 PolarHBondContact O-N 3.35Å; T539-L542 PolarHBondContact O-N 3.09Å; T539-V543 WeakPolarHBondContact O-CG2 3.38Å; T539-V543 PolarHBondContact O-N 3.45Å
540	E	92.6	Very high	85.5	Confident	35 Å²	35	49.7 Å²	49.7	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-39.3	173.5	-178.3	63.4	-126	0	0	111.5	V499 R500 R536 I537 V543 Q544	V499-E540 HydrophobicContact CB-CG 4.35Å; V499-E540 HydrophobicContact CG1-CG 4.07Å; R500-E540 WeakPolarHBondContact CD-OE1 3.24Å; R500-E540 VanDerWaalsContact CG-CD 3.43Å; R500-E540 HydrophobicContact CG-CG 3.89Å; R500-E540 WeakPolarHBondContact CG-OE1 3.35Å; R500-E540 IonicContact CZ-OE2 2.81Å; R500-E540 IonicContact NE-OE2 2.77Å; R536-E540 PolarHBondContact O-N 3.13Å; I537-E540 PolarHBondContact O-N 3.48Å; E540-V543 PolarHBondContact O-N 3.04Å; E540-Q544 PolarHBondContact O-N 3.15Å; E540-Q544 WeakPolarHBondContact OE1-CG 3.44Å; E540-Q544 PolarHBondContact OE1-NE2 3.49Å
541	F	93.4	Very high	84.9	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-46.6	175.5	-179.5	-93.2	0	0	0	112.8	V499 F503 I516 L522 L523 I537 K538 T539 V543 Q544 L545 V558	V499-F541 HydrophobicContact CG1-CB 4.16Å; V499-F541 HydrophobicContact CG1-CD2 4.22Å; F503-F541 AromaticContact CE2-CD2 3.98Å; F503-F541 HydrophobicContact CE2-CD2 3.98Å; F503-F541 AromaticContact CE2-CE2 3.76Å; F503-F541 HydrophobicContact CE2-CE2 3.76Å; F503-F541 HydrophobicContact CZ-CD2 4.44Å; F503-F541 AromaticContact CZ-CE2 3.91Å; F503-F541 HydrophobicContact CZ-CE2 3.91Å; F503-F541 HydrophobicContact CZ-CZ 4.48Å; I516-F541 HydrophobicContact CD1-CD2 4.38Å; I516-F541 HydrophobicContact CD1-CE1 4.5Å; I516-F541 HydrophobicContact CD1-CE2 3.26Å; I516-F541 HydrophobicContact CD1-CZ 3.32Å; L522-F541 HydrophobicContact CD2-CB 4.42Å; L522-F541 HydrophobicContact CD2-CD1 4.47Å; L522-F541 HydrophobicContact CD2-CD2 4.16Å; L522-F541 HydrophobicContact CD2-CG 4.05Å; L523-F541 HydrophobicContact CD1-CD1 4.19Å; L523-F541 HydrophobicContact CD1-CE1 3.87Å; L523-F541 HydrophobicContact CD2-CD1 3.81Å; L523-F541 HydrophobicContact CD2-CE1 4.34Å; I537-F541 WeakPolarHBondContact O-CB 3.47Å; I537-F541 PolarHBondContact O-N 3.27Å; K538-F541 PolarHBondContact O-N 3.08Å; T539-F541 VanDerWaalsContact C-N 3.32Å; T539-F541 PolarHBondContact O-N 3.35Å; F541-V543 VanDerWaalsContact C-N 3.29Å; F541-V543 PolarHBondContact O-N 2.97Å; F541-Q544 PolarHBondContact O-N 2.92Å; F541-L545 HydrophobicContact CE1-CD2 4.12Å; F541-L545 WeakPolarHBondContact O-CB 3.3Å; F541-L545 PolarHBondContact O-N 2.87Å; F541-V558 HydrophobicContact CZ-CG1 4.06Å
542	L	91.4	Very high	84	Confident	11 Å²	11	49 Å²	49	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-36.2	176.7	-65.1	167.6	0	0	0	111.3	L523 K538 T539 D546 A571 A572	L523-L542 HydrophobicContact CD2-CD2 4.4Å; K538-L542 HydrophobicContact CG-CD1 4.22Å; K538-L542 VanDerWaalsContact O-CG 3.28Å; K538-L542 WeakPolarHBondContact O-CG 3.23Å; K538-L542 PolarHBondContact O-N 3.11Å; K538-L542 VanDerWaalsContact O-N 3.09Å; T539-L542 PolarHBondContact O-N 3.09Å; L542-D546 VanDerWaalsContact O-CG 3.24Å; L542-D546 PolarHBondContact O-N 3.44Å; L542-A571 HydrophobicContact CD1-CB 4.4Å; L542-A572 HydrophobicContact CD2-CB 4.35Å
543	V	91.9	Very high	83.4	Confident	80 Å²	80	52 Å²	52	49%	0.485	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-41.9	174.1	168.3	0	0	0	0	112.3	T539 E540 F541 D546 G547	T539-V543 WeakPolarHBondContact O-CG2 3.38Å; T539-V543 PolarHBondContact O-N 3.45Å; E540-V543 PolarHBondContact O-N 3.04Å; F541-V543 VanDerWaalsContact C-N 3.29Å; F541-V543 PolarHBondContact O-N 2.97Å; V543-D546 PolarHBondContact O-N 2.9Å; V543-G547 PolarHBondContact O-N 3.49Å
544	Q	91.4	Very high	83.1	Confident	29 Å²	29	50.1 Å²	50.1	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-37.5	176	-73.2	-51.8	-45.9	0	0	112.7	V499 R500 F503 E540 F541 G547 A548	V499-Q544 HydrophobicContact CG1-CB 4.39Å; V499-Q544 HydrophobicContact CG1-CG 4Å; R500-Q544 HydrophobicContact CG-CG 4.42Å; F503-Q544 HydrophobicContact CB-CB 4.21Å; F503-Q544 HydrophobicContact CB-CG 4.27Å; F503-Q544 HydrophobicContact CD1-CB 3.95Å; F503-Q544 HydrophobicContact CD2-CB 3.61Å; F503-Q544 HydrophobicContact CD2-CG 4.11Å; F503-Q544 HydrophobicContact CE1-CB 4.14Å; F503-Q544 HydrophobicContact CE2-CB 3.81Å; F503-Q544 HydrophobicContact CG-CB 3.66Å; F503-Q544 HydrophobicContact CG-CG 4.2Å; F503-Q544 HydrophobicContact CZ-CB 4.07Å; E540-Q544 PolarHBondContact O-N 3.15Å; E540-Q544 WeakPolarHBondContact OE1-CG 3.44Å; E540-Q544 PolarHBondContact OE1-NE2 3.49Å; F541-Q544 PolarHBondContact O-N 2.92Å; Q544-G547 PolarHBondContact O-N 3.22Å; Q544-A548 WeakPolarHBondContact O-CB 3.49Å; Q544-A548 PolarHBondContact O-N 2.95Å
545	L	89.8	Confident	83.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-46.4	173.3	-179.8	50.9	0	0	0	110.9	F541 A548 T549 V558 R575 L576	F541-L545 HydrophobicContact CE1-CD2 4.12Å; F541-L545 WeakPolarHBondContact O-CB 3.3Å; F541-L545 PolarHBondContact O-N 2.87Å; L545-A548 PolarHBondContact O-N 3.09Å; L545-T549 WeakPolarHBondContact O-CG2 3.39Å; L545-T549 PolarHBondContact O-N 2.84Å; L545-V558 HydrophobicContact CD1-CB 4.15Å; L545-V558 HydrophobicContact CD1-CG2 3.88Å; L545-R575 HydrophobicContact CD2-CB 3.66Å; L545-R575 HydrophobicContact CD2-CG 4.4Å; L545-R575 HydrophobicContact CG-CB 4.25Å; L545-L576 HydrophobicContact CD2-CD2 4.48Å
546	D	86.5	Confident	83.3	Confident	53 Å²	53	51.5 Å²	51.5	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-64.5	-40.8	174.9	-69	-19.2	0	0	0	112.4	L542 V543 A548 T549 T550 R575	L542-D546 VanDerWaalsContact O-CG 3.24Å; L542-D546 PolarHBondContact O-N 3.44Å; V543-D546 PolarHBondContact O-N 2.9Å; D546-A548 VanDerWaalsContact C-N 3.32Å; D546-A548 PolarHBondContact O-N 3.5Å; D546-T549 PolarHBondContact O-N 3.44Å; D546-T549 PolarHBondContact O-OG1 2.89Å; D546-T550 PolarHBondContact O-N 3.45Å; D546-T550 PolarHBondContact O-OG1 3.5Å; D546-R575 WeakPolarHBondContact OD1-CD 3.36Å; D546-R575 IonicContact OD1-CZ 2.72Å; D546-R575 IonicContact OD1-NE 3.77Å; D546-R575 PolarHBondContact OD1-NE 3.47Å; D546-R575 IonicContact OD1-NH2 2.62Å; D546-R575 IonicContact OD2-CZ 3.35Å; D546-R575 VanDerWaalsContact OD2-CZ 3.31Å; D546-R575 IonicContact OD2-NE 3.75Å; D546-R575 PolarHBondContact OD2-NE 3.25Å; D546-R575 VanDerWaalsContact OD2-NE 3.11Å; D546-R575 IonicContact OD2-NH2 3.21Å; D546-R575 PolarHBondContact OD2-NH2 2.81Å
547	G	81.2	Confident	83.5	Confident	28 Å²	28	45.8 Å²	45.8	29%	0.289	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-41.4	174.3	0	0	0	0	0	112.2	V543 Q544 T549 T550	V543-G547 PolarHBondContact O-N 3.49Å; Q544-G547 PolarHBondContact O-N 3.22Å; G547-T549 VanDerWaalsContact C-N 3.29Å; G547-T549 PolarHBondContact O-N 2.8Å; G547-T550 PolarHBondContact O-N 3.28Å
548	A	72.9	Confident	83.7	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-68.8	-23.1	173.3	0	0	0	0	0	113.2	K452 F503 Q544 L545 D546	K452-A548 WeakPolarHBondContact CD-O 3.39Å; K452-A548 WeakPolarHBondContact CE-O 3.42Å; K452-A548 PolarHBondContact NZ-O 2.77Å; F503-A548 HydrophobicContact CD1-CB 4.31Å; F503-A548 HydrophobicContact CE1-CB 4.25Å; Q544-A548 WeakPolarHBondContact O-CB 3.49Å; Q544-A548 PolarHBondContact O-N 2.95Å; L545-A548 PolarHBondContact O-N 3.09Å; D546-A548 VanDerWaalsContact C-N 3.32Å; D546-A548 PolarHBondContact O-N 3.5Å
549	T	63.1	Low	83.9	Confident	66 Å²	66	45.6 Å²	45.6	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-30.7	171.3	78.1	0	0	0	0	113.3	K452 L545 D546 G547 S551	K452-T549 HydrophobicContact CB-CG2 3.62Å; K452-T549 HydrophobicContact CG-CG2 3.79Å; L545-T549 WeakPolarHBondContact O-CG2 3.39Å; L545-T549 PolarHBondContact O-N 2.84Å; D546-T549 PolarHBondContact O-N 3.44Å; D546-T549 PolarHBondContact O-OG1 2.89Å; G547-T549 VanDerWaalsContact C-N 3.29Å; G547-T549 PolarHBondContact O-N 2.8Å; T549-S551 PolarHBondContact O-N 3.03Å
550	T	65.7	Low	84.1	Confident	118 Å²	118	42.6 Å²	42.6	72%	0.724	24%	0.242	S	C	*	.	H	α-helix	trans	-66	-38.8	-175.3	-57.4	0	0	0	0	112.5	D546 G547	D546-T550 PolarHBondContact O-N 3.45Å; D546-T550 PolarHBondContact O-OG1 3.5Å; G547-T550 PolarHBondContact O-N 3.28Å
551	S	68.1	Low	84.3	Confident	53 Å²	53	40.9 Å²	40.9	37%	0.371	23%	0.234	S	C	.	.			trans	-81.5	115.2	174.1	-63.9	0	0	0	0	110.9	K452 T549 E553 D554	K452-S551 PolarHBondContact NZ-O 3.36Å; T549-S551 PolarHBondContact O-N 3.03Å; S551-E553 PolarHBondContact O-N 3.03Å; S551-D554 PolarHBondContact O-N 3.07Å
552	S	66.8	Low	84.5	Confident	119 Å²	119	40.9 Å²	40.9	83%	0.832	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.3	168.8	47.2	0	0	0	0	112.5
553	E	72.4	Confident	84.7	Confident	158 Å²	158	42.4 Å²	42.4	74%	0.738	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.3	176.8	-62.2	177.1	-173.1	0	0	113.7	Q510 S551 R555	Q510-E553 PolarHBondContact OE1-O 3.49Å; S551-E553 PolarHBondContact O-N 3.03Å; E553-R555 PolarHBondContact O-N 2.88Å
554	D	81.2	Confident	84.8	Confident	14 Å²	14	44.8 Å²	44.8	8%	0.075	24%	0.242	C	C	.	.			trans	-72	100.4	-175.5	-94.5	-3	0	0	0	111.1	K452 R507 Q510 S551 I556	K452-D554 PolarHBondContact NZ-O 3.2Å; R507-D554 IonicContact CZ-OD2 3.53Å; R507-D554 IonicContact NE-OD2 2.68Å; R507-D554 PolarHBondContact NE-OD2 3.05Å; R507-D554 IonicContact NH2-OD2 2.69Å; Q510-D554 PolarHBondContact NE2-OD1 3.32Å; S551-D554 PolarHBondContact O-N 3.07Å; D554-I556 PolarHBondContact O-N 2.62Å
555	R	86.8	Confident	84.9	Confident	112 Å²	112	43.4 Å²	43.4	42%	0.423	24%	0.236	S	C	.	.			trans	-82.7	61.1	174.6	-63	-175.3	-62.3	153.8	4.6	111.2	Q510 P511 A512 E553	Q510-R555 HydrophobicContact CB-CB 4.47Å; Q510-R555 PolarHBondContact O-NH2 2.67Å; P511-R555 WeakPolarHBondContact CA-O 3.37Å; P511-R555 HydrophobicContact CB-CB 4.24Å; A512-R555 PolarHBondContact N-O 3.16Å; E553-R555 PolarHBondContact O-N 2.88Å
556	I	91.6	Very high	85.1	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	177.9	-56.7	-180	0	0	0	109.6	A506 R507 Q510 A512 I514 D554	A506-I556 HydrophobicContact CB-CD1 4.04Å; R507-I556 HydrophobicContact CB-CD1 4.34Å; R507-I556 HydrophobicContact CG-CD1 3.48Å; R507-I556 VanDerWaalsContact CG-CD1 3.48Å; Q510-I556 HydrophobicContact CG-CG1 4.08Å; A512-I556 HydrophobicContact CB-CG1 4.43Å; A512-I556 WeakPolarHBondContact O-CA 3.37Å; I514-I556 HydrophobicContact CD1-CG2 3.87Å; I514-I556 HydrophobicContact CG1-CG2 4.19Å; D554-I556 PolarHBondContact O-N 2.62Å
557	L	92.9	Very high	85.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	170	176.2	72.1	0	0	0	109.7	V434 P451 I454 I471 A512 V513 I514 V559	V434-L557 HydrophobicContact CG1-CD2 3.52Å; V434-L557 HydrophobicContact CG2-CD1 4.46Å; V434-L557 HydrophobicContact CG2-CD2 4.23Å; P451-L557 WeakPolarHBondContact O-CD1 3.07Å; I454-L557 HydrophobicContact CG1-CD1 4.43Å; I454-L557 HydrophobicContact CG2-CD1 4.24Å; I471-L557 HydrophobicContact CG2-CD2 3.81Å; A512-L557 PolarHBondContact O-N 2.69Å; V513-L557 WeakPolarHBondContact CA-O 3.42Å; V513-L557 HydrophobicContact CG1-CD2 4.28Å; V513-L557 HydrophobicContact CG2-CB 4.4Å; V513-L557 HydrophobicContact CG2-CD2 4.25Å; I514-L557 PolarHBondContact N-O 2.59Å; L557-V559 HydrophobicContact CD2-CG2 3.54Å; L557-V559 HydrophobicContact CG-CG2 3.79Å
558	V	95	Very high	86	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.7	166.3	177.6	0	0	0	0	109.8	K452 G453 I454 F503 I514 I516 F541 L545	K452-V558 PolarHBondContact O-N 2.58Å; G453-V558 CarbonylContact C-O 3.53Å; G453-V558 WeakPolarHBondContact CA-O 3.37Å; I454-V558 PolarHBondContact N-O 3.42Å; F503-V558 HydrophobicContact CE1-CG2 3.97Å; F503-V558 HydrophobicContact CZ-CG2 3.9Å; I514-V558 HydrophobicContact CB-CG2 4.43Å; I514-V558 CarbonylContact O-C 3.57Å; I514-V558 WeakPolarHBondContact O-CA 3.49Å; I516-V558 HydrophobicContact CD1-CG1 4.01Å; F541-V558 HydrophobicContact CZ-CG1 4.06Å; L545-V558 HydrophobicContact CD1-CB 4.15Å; L545-V558 HydrophobicContact CD1-CG2 3.88Å
559	V	96	Very high	86.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	98.7	178.3	-174.5	0	0	0	0	108.3	I454 L456 V513 I514 F515 I516 L557	I454-V559 HydrophobicContact CD1-CG1 4.16Å; I454-V559 HydrophobicContact CD1-CG2 3.97Å; I454-V559 HydrophobicContact CG1-CB 4.2Å; I454-V559 HydrophobicContact CG1-CG1 4.03Å; I454-V559 HydrophobicContact CG1-CG2 3.91Å; L456-V559 HydrophobicContact CD1-CG1 3.92Å; L456-V559 HydrophobicContact CG-CG1 4.06Å; V513-V559 HydrophobicContact CG1-CG2 3.77Å; I514-V559 PolarHBondContact O-N 3.15Å; F515-V559 CarbonylContact C-O 3.59Å; F515-V559 WeakPolarHBondContact CA-O 3.34Å; F515-V559 HydrophobicContact CD2-CB 3.93Å; F515-V559 HydrophobicContact CD2-CG1 3.65Å; F515-V559 HydrophobicContact CE2-CG1 4.04Å; I516-V559 PolarHBondContact N-O 2.77Å; L557-V559 HydrophobicContact CD2-CG2 3.54Å; L557-V559 HydrophobicContact CG-CG2 3.79Å
560	G	96.4	Very high	88.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.3	169.6	0	0	0	0	0	110.7	I454 L455 L456	I454-G560 PolarHBondContact O-N 3.02Å; L455-G560 CarbonylContact C-O 3.52Å; L455-G560 WeakPolarHBondContact CA-O 3.34Å; L456-G560 PolarHBondContact N-O 3.21Å
561	A	96.8	Very high	89.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140	165.8	0	0	0	0	0	110.4	L456 K464 F515 I516 E518 I519	L456-A561 WeakPolarHBondContact O-CA 3.29Å; K464-A561 HydrophobicContact CB-CB 4.15Å; K464-A561 HydrophobicContact CD-CB 4.44Å; F515-A561 HydrophobicContact CE1-CB 4.28Å; F515-A561 HydrophobicContact CE2-CB 3.79Å; F515-A561 HydrophobicContact CZ-CB 3.39Å; I516-A561 PolarHBondContact O-N 3.35Å; E518-A561 PolarHBondContact N-O 3.26Å; E518-A561 VanDerWaalsContact N-O 3.15Å; I519-A561 WeakPolarHBondContact CG2-O 3.25Å; I519-A561 PolarHBondContact N-O 2.86Å
562	T	96	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	150.4	-178.3	-174.7	0	0	0	0	112.1	L455 L456 F457 K464 D520 R564 P565 I568	L455-T562 HydrophobicContact CD1-CG2 3.82Å; L455-T562 HydrophobicContact CD2-CG2 4.28Å; L455-T562 HydrophobicContact CG-CG2 4.23Å; L456-T562 PolarHBondContact O-N 3.49Å; F457-T562 HydrophobicContact CB-CG2 3.44Å; F457-T562 VanDerWaalsContact CB-CG2 3.44Å; K464-T562 WeakPolarHBondContact CE-O 3.31Å; K464-T562 PolarHBondContact NZ-O 2.95Å; D520-T562 WeakPolarHBondContact OD1-CA 3.32Å; D520-T562 WeakPolarHBondContact OD1-CB 3.5Å; D520-T562 PolarHBondContact OD1-OG1 2.68Å; T562-R564 PolarHBondContact OG1-N 2.66Å; T562-P565 HydrophobicContact CG2-CB 3.94Å; T562-I568 HydrophobicContact CG2-CD1 3.96Å
563	N	95.7	Very high	91.5	Very high	44 Å²	44	38.1 Å²	38.1	24%	0.235	17%	0.174	C	C	.	.	S	Bend	trans	-103.2	-0.6	164.1	-56.2	-57	0	0	0	111.7	P460 K464 Y680	P460-N563 WeakPolarHBondContact CA-OD1 3.43Å; K464-N563 PolarHBondContact NZ-OD1 2.86Å; N563-Y680 WeakPolarHBondContact O-CE1 3.2Å; N563-Y680 PolarHBondContact O-OH 3.06Å
564	R	94.4	Very high	92.3	Very high	129 Å²	129	38.3 Å²	38.3	49%	0.487	17%	0.168	S	C	.	.			trans	-142.3	62.6	-172.9	-55.3	-164.9	-173.8	-179.5	4.8	112.3	D520 T562 Q566 E567	D520-R564 HydrophobicContact CB-CB 4.39Å; T562-R564 PolarHBondContact OG1-N 2.66Å; R564-Q566 PolarHBondContact O-N 3.21Å; R564-E567 HydrophobicContact CB-CB 4.34Å; R564-E567 HydrophobicContact CB-CG 4.08Å; R564-E567 VanDerWaalsContact CD-CD 3.41Å; R564-E567 WeakPolarHBondContact CD-OE1 3.26Å; R564-E567 IonicContact CZ-OE1 3.23Å; R564-E567 IonicContact NE-OE1 3.57Å; R564-E567 IonicContact NH1-OE1 3.51Å; R564-E567 PolarHBondContact NH1-OE1 3.19Å; R564-E567 IonicContact NH1-OE2 3.68Å; R564-E567 PolarHBondContact O-N 3.04Å
565	P	94.1	Very high	92.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.1	-174.9	31.1	-39.8	0	0	0	114.1	F457 T562 Y680 W683	F457-P565 HydrophobicContact CB-CB 3.86Å; F457-P565 HydrophobicContact CB-CG 4.03Å; F457-P565 HydrophobicContact CD2-CB 4.23Å; F457-P565 HydrophobicContact CD2-CG 3.83Å; F457-P565 HydrophobicContact CG-CB 4.1Å; F457-P565 HydrophobicContact CG-CG 4.16Å; T562-P565 HydrophobicContact CG2-CB 3.94Å; P565-Y680 HydrophobicContact CG-CD1 4.25Å; P565-W683 VanDerWaalsContact C-NE1 3.33Å; P565-W683 HydrophobicContact CB-CD2 3.79Å; P565-W683 HydrophobicContact CB-CE3 4.07Å; P565-W683 HydrophobicContact CB-CG 4.35Å; P565-W683 HydrophobicContact CB-CH2 4.01Å; P565-W683 HydrophobicContact CB-CZ2 3.7Å; P565-W683 HydrophobicContact CB-CZ3 4.19Å; P565-W683 HydrophobicContact CG-CD2 3.98Å; P565-W683 HydrophobicContact CG-CE3 4.35Å; P565-W683 HydrophobicContact CG-CG 4.09Å; P565-W683 WeakPolarHBondContact O-CZ2 3.38Å; P565-W683 PolarHBondContact O-NE1 2.96Å; P565-W683 VanDerWaalsContact O-NE1 3.13Å
566	Q	93.3	Very high	93.1	Very high	67 Å²	67	35.6 Å²	35.6	31%	0.313	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.4	171.4	70.3	-77.5	4.3	0	0	114.4	Q525 R564 I568	Q525-Q566 PolarHBondContact NE2-O 3.21Å; Q525-Q566 VanDerWaalsContact NE2-O 3.12Å; R564-Q566 PolarHBondContact O-N 3.21Å; Q566-I568 VanDerWaalsContact C-N 3.34Å
567	E	92.9	Very high	92.9	Very high	66 Å²	66	39.4 Å²	39.4	31%	0.308	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.2	179.7	-66.6	-174.1	-167.3	0	0	112.3	D520 S524 Q525 R564	D520-E567 HydrophobicContact CB-CB 4.36Å; S524-E567 CarbonylContact C-O 3.54Å; S524-E567 VanDerWaalsContact CA-O 3.24Å; S524-E567 WeakPolarHBondContact CA-O 3.48Å; Q525-E567 WeakPolarHBondContact CG-O 3.34Å; Q525-E567 PolarHBondContact N-O 3.3Å; R564-E567 HydrophobicContact CB-CB 4.34Å; R564-E567 HydrophobicContact CB-CG 4.08Å; R564-E567 VanDerWaalsContact CD-CD 3.41Å; R564-E567 WeakPolarHBondContact CD-OE1 3.26Å; R564-E567 IonicContact CZ-OE1 3.23Å; R564-E567 IonicContact NE-OE1 3.57Å; R564-E567 IonicContact NH1-OE1 3.51Å; R564-E567 PolarHBondContact NH1-OE1 3.19Å; R564-E567 IonicContact NH1-OE2 3.68Å; R564-E567 PolarHBondContact O-N 3.04Å
568	I	93.1	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-73.2	128.3	-176.9	-55.2	178.7	0	0	0	111.2	L455 I519 D520 L523 T562 Q566 A572 R573	L455-I568 HydrophobicContact CD1-CD1 3.84Å; L455-I568 HydrophobicContact CD2-CD1 3.81Å; I519-I568 HydrophobicContact CG2-CD1 4.07Å; D520-I568 HydrophobicContact CB-CG1 4.15Å; L523-I568 HydrophobicContact CB-CG2 4.31Å; T562-I568 HydrophobicContact CG2-CD1 3.96Å; Q566-I568 VanDerWaalsContact C-N 3.34Å; I568-A572 HydrophobicContact CG2-CB 3.63Å; I568-R573 HydrophobicContact CB-CG 4.24Å; I568-R573 HydrophobicContact CG2-CG 3.86Å; I568-R573 PolarHBondContact O-NE 3.06Å
569	D	91.1	Very high	92.8	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.091	21%	0.205	C	C	.	.			trans	-66.3	164.2	-179	92.6	-7.9	0	0	0	113.9	L523 Q525 K538 A571 A572 R573	L523-D569 PolarHBondContact O-N 3.36Å; Q525-D569 HydrophobicContact CG-CB 4.45Å; K538-D569 WeakPolarHBondContact CE-OD2 3.43Å; K538-D569 VanDerWaalsContact NZ-CG 3.25Å; K538-D569 IonicContact NZ-OD2 2.67Å; K538-D569 PolarHBondContact NZ-OD2 2.69Å; D569-A571 VanDerWaalsContact C-N 3.29Å; D569-A571 PolarHBondContact O-N 3.18Å; D569-A571 WeakPolarHBondContact OD1-CB 3.46Å; D569-A571 PolarHBondContact OD1-N 3.31Å; D569-A572 WeakPolarHBondContact OD1-CB 3.19Å; D569-A572 PolarHBondContact OD1-N 3.27Å; D569-R573 WeakPolarHBondContact O-CG 3.38Å; D569-R573 PolarHBondContact O-N 2.96Å; D569-R573 PolarHBondContact O-NE 3.23Å
570	E	90.3	Very high	92.8	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-67.2	-31	-177.7	-145.5	-147.3	142.1	0	0	112.7	R573 R574	E570-R573 PolarHBondContact O-N 3.11Å; E570-R574 WeakPolarHBondContact O-CB 3.44Å; E570-R574 VanDerWaalsContact O-CG 3.23Å; E570-R574 WeakPolarHBondContact O-CG 3.5Å; E570-R574 PolarHBondContact O-N 2.84Å; E570-R574 IonicContact OE1-CZ 3.77Å; E570-R574 IonicContact OE1-NE 3.31Å; E570-R574 PolarHBondContact OE1-NE 3.21Å; E570-R574 IonicContact OE1-NH2 2.66Å; E570-R574 PolarHBondContact OE1-NH2 3.43Å; E570-R574 IonicContact OE2-CZ 2.84Å; E570-R574 IonicContact OE2-NE 2.67Å; E570-R574 IonicContact OE2-NH2 2.62Å; E570-R574 PolarHBondContact OE2-NH2 3.22Å
571	A	89.7	Confident	92.7	Very high	32 Å²	32	46.4 Å²	46.4	26%	0.264	21%	0.209	S	C	.	.	H	α-helix	trans	-68.4	-37.7	-178.6	0	0	0	0	0	112.2	L542 D569 R575	L542-A571 HydrophobicContact CD1-CB 4.4Å; D569-A571 VanDerWaalsContact C-N 3.29Å; D569-A571 PolarHBondContact O-N 3.18Å; D569-A571 WeakPolarHBondContact OD1-CB 3.46Å; D569-A571 PolarHBondContact OD1-N 3.31Å; A571-R575 PolarHBondContact O-NH1 3.02Å
572	A	90.1	Very high	92.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-47.3	171	0	0	0	0	0	111.5	L523 L542 I568 D569 R574 R575 L576	L523-A572 HydrophobicContact CB-CB 3.78Å; L523-A572 HydrophobicContact CD1-CB 3.59Å; L523-A572 HydrophobicContact CG-CB 4.15Å; L542-A572 HydrophobicContact CD2-CB 4.35Å; I568-A572 HydrophobicContact CG2-CB 3.63Å; D569-A572 WeakPolarHBondContact OD1-CB 3.19Å; D569-A572 PolarHBondContact OD1-N 3.27Å; A572-R574 VanDerWaalsContact C-N 3.26Å; A572-R574 PolarHBondContact O-N 3.36Å; A572-R575 PolarHBondContact O-N 3.28Å; A572-L576 PolarHBondContact O-N 2.77Å
573	R	91.2	Very high	92.6	Very high	45 Å²	45	48.6 Å²	48.6	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-36.2	177.7	-73.1	-176	-68.7	145	-2	112.7	I568 D569 E570 R575 R579 F687	I568-R573 HydrophobicContact CB-CG 4.24Å; I568-R573 HydrophobicContact CG2-CG 3.86Å; I568-R573 PolarHBondContact O-NE 3.06Å; D569-R573 WeakPolarHBondContact O-CG 3.38Å; D569-R573 PolarHBondContact O-N 2.96Å; D569-R573 PolarHBondContact O-NE 3.23Å; E570-R573 PolarHBondContact O-N 3.11Å; R573-R575 VanDerWaalsContact C-N 3.34Å; R573-R575 PolarHBondContact O-N 3.26Å; R573-R579 PolarHBondContact O-NH2 3.27Å; R573-F687 VanDerWaalsContact NH1-CE1 3.31Å; R573-F687 VanDerWaalsContact NH1-CZ 3.32Å
574	R	90.7	Very high	92.6	Very high	162 Å²	162	47.8 Å²	47.8	61%	0.611	22%	0.219	S	C	*	.	H	α-helix	trans	-63.2	-33.5	174.1	-75.2	172	-173.2	-171.9	8.3	113.5	E570 A572	E570-R574 WeakPolarHBondContact O-CB 3.44Å; E570-R574 VanDerWaalsContact O-CG 3.23Å; E570-R574 WeakPolarHBondContact O-CG 3.5Å; E570-R574 PolarHBondContact O-N 2.84Å; E570-R574 IonicContact OE1-CZ 3.77Å; E570-R574 IonicContact OE1-NE 3.31Å; E570-R574 PolarHBondContact OE1-NE 3.21Å; E570-R574 IonicContact OE1-NH2 2.66Å; E570-R574 PolarHBondContact OE1-NH2 3.43Å; E570-R574 IonicContact OE2-CZ 2.84Å; E570-R574 IonicContact OE2-NE 2.67Å; E570-R574 IonicContact OE2-NH2 2.62Å; E570-R574 PolarHBondContact OE2-NH2 3.22Å; A572-R574 VanDerWaalsContact C-N 3.26Å; A572-R574 PolarHBondContact O-N 3.36Å
575	R	90.9	Very high	92.6	Very high	68 Å²	68	42.3 Å²	42.3	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-87.3	-33.2	-179.5	-66.6	172.5	176	84.1	-3.7	113.3	L545 D546 A571 A572 R573 V577	L545-R575 HydrophobicContact CD2-CB 3.66Å; L545-R575 HydrophobicContact CD2-CG 4.4Å; L545-R575 HydrophobicContact CG-CB 4.25Å; D546-R575 WeakPolarHBondContact OD1-CD 3.36Å; D546-R575 IonicContact OD1-CZ 2.72Å; D546-R575 IonicContact OD1-NE 3.77Å; D546-R575 PolarHBondContact OD1-NE 3.47Å; D546-R575 IonicContact OD1-NH2 2.62Å; D546-R575 IonicContact OD2-CZ 3.35Å; D546-R575 VanDerWaalsContact OD2-CZ 3.31Å; D546-R575 IonicContact OD2-NE 3.75Å; D546-R575 PolarHBondContact OD2-NE 3.25Å; D546-R575 VanDerWaalsContact OD2-NE 3.11Å; D546-R575 IonicContact OD2-NH2 3.21Å; D546-R575 PolarHBondContact OD2-NH2 2.81Å; A571-R575 PolarHBondContact O-NH1 3.02Å; A572-R575 PolarHBondContact O-N 3.28Å; R573-R575 VanDerWaalsContact C-N 3.34Å; R573-R575 PolarHBondContact O-N 3.26Å; R575-V577 PolarHBondContact O-N 3.35Å
576	L	92.1	Very high	92.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	23%	0.23	C	C	.	.	S	Bend	trans	-82.2	72.7	170.6	-56.8	179.2	0	0	0	108.8	L455 I519 L545 A572 K578 R579	L455-L576 HydrophobicContact CB-CB 4.13Å; L455-L576 HydrophobicContact CB-CD1 4.12Å; L455-L576 HydrophobicContact CD1-CD1 4Å; I519-L576 HydrophobicContact CD1-CD1 4.18Å; L545-L576 HydrophobicContact CD2-CD2 4.48Å; A572-L576 PolarHBondContact O-N 2.77Å; L576-K578 PolarHBondContact O-N 3.44Å; L576-R579 WeakPolarHBondContact O-CG 3.36Å; L576-R579 PolarHBondContact O-NE 3.38Å
577	V	87.5	Confident	92.7	Very high	87 Å²	87	48.1 Å²	48.1	53%	0.527	24%	0.236	S	C	.	.			trans	-60.8	-42.7	-166.5	-179.8	0	0	0	0	112.3	G453 R575 R579	G453-V577 PolarHBondContact O-N 3.37Å; R575-V577 PolarHBondContact O-N 3.35Å; V577-R579 PolarHBondContact O-NE 3Å
578	K	91.6	Very high	92.8	Very high	84 Å²	84	48.3 Å²	48.3	37%	0.365	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.6	179.7	-70.2	-82.4	-172.1	173.5	0	109	I433 P451 I454 L455 L576	I433-K578 HydrophobicContact CD1-CB 4.1Å; I433-K578 HydrophobicContact CD1-CD 4.23Å; I433-K578 HydrophobicContact CD1-CG 3.96Å; P451-K578 HydrophobicContact CB-CG 4.41Å; P451-K578 HydrophobicContact CG-CG 4.36Å; I454-K578 CarbonylContact C-O 3.57Å; I454-K578 VanDerWaalsContact CA-O 3.3Å; I454-K578 WeakPolarHBondContact CA-O 3.46Å; I454-K578 HydrophobicContact CG2-CB 4.14Å; L455-K578 PolarHBondContact N-O 2.93Å; L576-K578 PolarHBondContact O-N 3.44Å
579	R	94.9	Very high	92.9	Very high	49 Å²	49	48.4 Å²	48.4	19%	0.185	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.9	175.7	-41	102.7	-165.4	179.7	4.8	109.4	L455 F457 R573 L576 V577 W683 F687 C689	L455-R579 HydrophobicContact CB-CB 4Å; L455-R579 HydrophobicContact CB-CG 3.85Å; L455-R579 HydrophobicContact CD2-CB 4.2Å; L455-R579 HydrophobicContact CD2-CG 3.98Å; L455-R579 CarbonylContact O-C 3.58Å; L455-R579 VanDerWaalsContact O-CA 3.3Å; L455-R579 WeakPolarHBondContact O-CA 3.47Å; F457-R579 HydrophobicContact CD1-CB 4.02Å; F457-R579 HydrophobicContact CE1-CB 3.84Å; R573-R579 PolarHBondContact O-NH2 3.27Å; L576-R579 WeakPolarHBondContact O-CG 3.36Å; L576-R579 PolarHBondContact O-NE 3.38Å; V577-R579 PolarHBondContact O-NE 3Å; R579-W683 HydrophobicContact CB-CH2 4.24Å; R579-W683 HydrophobicContact CB-CZ3 4.05Å; R579-W683 HydrophobicContact CG-CH2 4.15Å; R579-W683 HydrophobicContact CG-CZ3 4.44Å; R579-F687 WeakPolarHBondContact CD-O 3.32Å; R579-F687 PolarHBondContact NH1-O 2.72Å; R579-C689 PolarHBondContact O-N 3.24Å; R579-C689 PolarHBondContact O-SG 3.29Å
580	L	95.1	Very high	93.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.2	-174.9	-62	173	0	0	0	109.7	T429 I430 L455 L456 F457 I582 C689	T429-L580 HydrophobicContact CG2-CD2 3.87Å; I430-L580 HydrophobicContact CD1-CD1 3.69Å; I430-L580 HydrophobicContact CG1-CD1 3.43Å; I430-L580 VanDerWaalsContact CG1-CD1 3.43Å; L455-L580 PolarHBondContact O-N 2.78Å; L456-L580 HydrophobicContact CD2-CB 4.14Å; L456-L580 HydrophobicContact CD2-CD1 4.16Å; F457-L580 VanDerWaalsContact CD1-O 3.24Å; F457-L580 WeakPolarHBondContact CD1-O 3.28Å; F457-L580 PolarHBondContact N-O 3.34Å; L580-I582 HydrophobicContact CB-CD1 4.42Å; L580-C689 HydrophobicContact CD2-CB 4.3Å
581	Y	95.6	Very high	93.3	Very high	20 Å²	20	46 Å²	46	8%	0.078	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	129.1	171	-177.7	-145.2	0	0	0	109.4	F457 P583 Y680 E681 N684	F457-Y581 HydrophobicContact CD2-CD2 4.06Å; F457-Y581 AromaticContact CE2-CD2 3.76Å; F457-Y581 HydrophobicContact CE2-CD2 3.76Å; F457-Y581 HydrophobicContact CE2-CG 4.05Å; F457-Y581 HydrophobicContact CZ-CD2 4.44Å; F457-Y581 HydrophobicContact CZ-CG 4.32Å; F457-Y581 CarbonylContact O-C 3.52Å; F457-Y581 WeakPolarHBondContact O-CA 3.36Å; Y581-P583 HydrophobicContact CD1-CB 4.29Å; Y581-P583 HydrophobicContact CE1-CB 3.79Å; Y581-P583 HydrophobicContact CE2-CB 4.38Å; Y581-P583 WeakPolarHBondContact O-CD 3.49Å; Y581-Y680 HydrophobicContact CE2-CG 4.14Å; Y581-E681 HydrophobicContact CE1-CG 4.04Å; Y581-N684 HydrophobicContact CD1-CB 4.42Å; Y581-N684 HydrophobicContact CG-CB 4.38Å
582	I	96	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.			trans	-114	86.6	176.1	-50.5	-57	0	0	0	107	V423 A426 L456 F457 T462 K464 I467 L580	V423-I582 HydrophobicContact CG1-CG2 4.3Å; A426-I582 HydrophobicContact CB-CD1 3.75Å; L456-I582 HydrophobicContact CB-CG1 4.24Å; L456-I582 HydrophobicContact CD2-CD1 4.38Å; F457-I582 PolarHBondContact O-N 2.99Å; T462-I582 WeakPolarHBondContact OG1-CG2 3.36Å; T462-I582 PolarHBondContact OG1-O 3.24Å; K464-I582 HydrophobicContact CG-CB 4.21Å; K464-I582 HydrophobicContact CG-CG1 4.19Å; K464-I582 HydrophobicContact CG-CG2 4.35Å; I467-I582 HydrophobicContact CD1-CD1 3.81Å; I467-I582 HydrophobicContact CD1-CG1 4.17Å; I467-I582 HydrophobicContact CD1-CG2 3.88Å; L580-I582 HydrophobicContact CB-CD1 4.42Å
583	P	94.6	Very high	93.7	Very high	45 Å²	45	48.8 Å²	48.8	29%	0.292	24%	0.24	S	C	.	.			trans	-69.6	177	-174.8	29.4	-37.2	0	0	0	113	V423 T462 Y581	V423-P583 HydrophobicContact CG1-CG 4.48Å; T462-P583 VanDerWaalsContact CG2-O 3.27Å; T462-P583 WeakPolarHBondContact CG2-O 3.34Å; Y581-P583 HydrophobicContact CD1-CB 4.29Å; Y581-P583 HydrophobicContact CE1-CB 3.79Å; Y581-P583 HydrophobicContact CE2-CB 4.38Å; Y581-P583 WeakPolarHBondContact O-CD 3.49Å
584	L	95.1	Very high	93.9	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.147	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-61.6	148.7	166.3	-64.9	178.3	0	0	0	111	P459 T462 E586 V672 L677	P459-L584 HydrophobicContact CB-CD2 4.16Å; P459-L584 HydrophobicContact CG-CD2 3.81Å; P459-L584 HydrophobicContact CG-CG 3.98Å; T462-L584 HydrophobicContact CG2-CD2 4.16Å; L584-E586 PolarHBondContact O-N 3.35Å; L584-V672 HydrophobicContact CD2-CG2 4.3Å; L584-L677 HydrophobicContact CD1-CD1 3.8Å; L584-L677 HydrophobicContact CD1-CD2 3.82Å; L584-L677 HydrophobicContact CD1-CG 4.42Å; L584-L677 HydrophobicContact CG-CD2 4.02Å
585	P	94.9	Very high	94	Very high	14 Å²	14	41.2 Å²	41.2	9%	0.091	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.6	127.5	-179	26.6	-34.9	0	0	0	112.6	A589 R590 I593 F620	P585-A589 HydrophobicContact CB-CB 3.72Å; P585-R590 HydrophobicContact CB-CG 3.9Å; P585-R590 HydrophobicContact CG-CG 3.83Å; P585-R590 PolarHBondContact O-NH1 3.49Å; P585-I593 HydrophobicContact CB-CD1 4.29Å; P585-I593 HydrophobicContact CG-CD1 4.42Å; P585-F620 WeakPolarHBondContact CD-O 3.09Å; P585-F620 WeakPolarHBondContact CG-O 3.22Å
586	E	94.1	Very high	94	Very high	137 Å²	137	41.1 Å²	41.1	64%	0.64	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-60	169.3	169.4	-66.8	-170.6	-178.4	0	0	112.8	L584 S588 A589 R590	L584-E586 PolarHBondContact O-N 3.35Å; E586-S588 VanDerWaalsContact C-N 3.29Å; E586-S588 PolarHBondContact O-N 3.24Å; E586-A589 PolarHBondContact O-N 3.23Å; E586-A589 VanDerWaalsContact O-N 3.09Å; E586-R590 WeakPolarHBondContact O-CG 3.34Å; E586-R590 PolarHBondContact O-N 3.18Å
587	A	95.1	Very high	94	Very high	52 Å²	52	43.3 Å²	43.3	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-55.5	-42.1	179.6	0	0	0	0	0	113	R590 K591 V614	A587-R590 PolarHBondContact O-N 3.22Å; A587-K591 WeakPolarHBondContact O-CB 3.26Å; A587-K591 PolarHBondContact O-N 2.85Å; A587-V614 HydrophobicContact CB-CG1 3.65Å; A587-V614 VanDerWaalsContact O-CG1 3.28Å; A587-V614 WeakPolarHBondContact O-CG1 3.25Å
588	S	94.5	Very high	94.3	Very high	71 Å²	71	40 Å²	40	50%	0.497	21%	0.212	S	C	.	.	H	α-helix	trans	-57.6	-49.4	173	49.5	0	0	0	0	112.2	E586 K591 Q592	E586-S588 VanDerWaalsContact C-N 3.29Å; E586-S588 PolarHBondContact O-N 3.24Å; S588-K591 WeakPolarHBondContact O-CB 3.48Å; S588-K591 PolarHBondContact O-N 2.96Å; S588-Q592 PolarHBondContact O-N 3.43Å
589	A	94.9	Very high	94.2	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-40.5	178.3	0	0	0	0	0	112.2	A421 P585 E586 Q592 I593	A421-A589 HydrophobicContact CB-CB 4.16Å; P585-A589 HydrophobicContact CB-CB 3.72Å; E586-A589 PolarHBondContact O-N 3.23Å; E586-A589 VanDerWaalsContact O-N 3.09Å; A589-Q592 WeakPolarHBondContact O-CB 3.42Å; A589-Q592 PolarHBondContact O-N 3.42Å; A589-I593 VanDerWaalsContact O-CG1 3.32Å; A589-I593 WeakPolarHBondContact O-CG1 3.07Å; A589-I593 PolarHBondContact O-N 2.96Å
590	R	95.6	Very high	93.9	Very high	16 Å²	16	45.7 Å²	45.7	6%	0.06	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-39.5	174	-65.5	-165.1	-50.5	-90.4	9.3	111.8	P585 E586 A587 Q592 I593 V594 V614 S617 M625	P585-R590 HydrophobicContact CB-CG 3.9Å; P585-R590 HydrophobicContact CG-CG 3.83Å; P585-R590 PolarHBondContact O-NH1 3.49Å; E586-R590 WeakPolarHBondContact O-CG 3.34Å; E586-R590 PolarHBondContact O-N 3.18Å; A587-R590 PolarHBondContact O-N 3.22Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.27Å; R590-I593 PolarHBondContact O-N 3.46Å; R590-V594 WeakPolarHBondContact O-CG2 3.24Å; R590-V594 PolarHBondContact O-N 3.36Å; R590-V614 HydrophobicContact CB-CG2 4.39Å; R590-V614 PolarHBondContact NH2-O 2.93Å; R590-S617 WeakPolarHBondContact CD-O 3.46Å; R590-S617 PolarHBondContact NE-O 3.06Å; R590-S617 PolarHBondContact NE-OG 3.46Å; R590-M625 HydrophobicContact CB-CE 4.08Å; R590-M625 HydrophobicContact CB-SD 4.41Å; R590-M625 HydrophobicContact CG-CG 4.1Å; R590-M625 HydrophobicContact CG-SD 4.23Å
591	K	95.1	Very high	93.6	Very high	50 Å²	50	50.3 Å²	50.3	22%	0.217	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-46.2	172.9	-161.3	170.7	-176.4	-176.3	0	110.9	A587 S588 I593 V594 A595 E607 I610 E611 V614	A587-K591 WeakPolarHBondContact O-CB 3.26Å; A587-K591 PolarHBondContact O-N 2.85Å; S588-K591 WeakPolarHBondContact O-CB 3.48Å; S588-K591 PolarHBondContact O-N 2.96Å; K591-I593 PolarHBondContact O-N 3.04Å; K591-V594 PolarHBondContact O-N 3.38Å; K591-A595 WeakPolarHBondContact O-CB 3.47Å; K591-A595 PolarHBondContact O-N 2.96Å; K591-E607 WeakPolarHBondContact CE-OE1 3.45Å; K591-E607 IonicContact NZ-OE1 2.73Å; K591-E607 PolarHBondContact NZ-OE1 3.46Å; K591-I610 HydrophobicContact CG-CG2 3.86Å; K591-E611 HydrophobicContact CD-CG 4.42Å; K591-E611 IonicContact NZ-OE1 2.64Å; K591-E611 PolarHBondContact NZ-OE1 2.87Å; K591-V614 HydrophobicContact CB-CG2 3.77Å; K591-V614 HydrophobicContact CG-CG2 4.21Å
592	Q	94.4	Very high	93.1	Very high	68 Å²	68	56.8 Å²	56.8	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-38.9	177.3	-167.8	-177.5	16.2	0	0	113.1	A421 S588 A589 R590 R596	A421-Q592 VanDerWaalsContact CA-OE1 3.28Å; A421-Q592 HydrophobicContact CB-CB 4.2Å; A421-Q592 HydrophobicContact CB-CG 4.35Å; S588-Q592 PolarHBondContact O-N 3.43Å; A589-Q592 WeakPolarHBondContact O-CB 3.42Å; A589-Q592 PolarHBondContact O-N 3.42Å; R590-Q592 VanDerWaalsContact C-N 3.34Å; R590-Q592 PolarHBondContact O-N 3.27Å; Q592-R596 WeakPolarHBondContact O-CB 3.13Å; Q592-R596 PolarHBondContact O-N 3.01Å
593	I	94.4	Very high	92.7	Very high	24 Å²	24	58.8 Å²	58.8	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-50.4	175.7	-68.1	163.7	0	0	0	110.6	A421 P585 A589 R590 K591 R596 L597 M625	A421-I593 HydrophobicContact CB-CD1 4.07Å; A421-I593 HydrophobicContact CB-CG1 3.57Å; P585-I593 HydrophobicContact CB-CD1 4.29Å; P585-I593 HydrophobicContact CG-CD1 4.42Å; A589-I593 VanDerWaalsContact O-CG1 3.32Å; A589-I593 WeakPolarHBondContact O-CG1 3.07Å; A589-I593 PolarHBondContact O-N 2.96Å; R590-I593 PolarHBondContact O-N 3.46Å; K591-I593 PolarHBondContact O-N 3.04Å; I593-R596 PolarHBondContact O-N 3.19Å; I593-L597 HydrophobicContact CG2-CD1 3.71Å; I593-L597 HydrophobicContact CG2-CG 4.35Å; I593-L597 WeakPolarHBondContact O-CB 3.39Å; I593-L597 WeakPolarHBondContact O-CG 3.49Å; I593-L597 PolarHBondContact O-N 2.92Å; I593-M625 HydrophobicContact CD1-CB 4.43Å; I593-M625 HydrophobicContact CG2-CB 3.84Å
594	V	94.6	Very high	92.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-49.3	179	176.1	0	0	0	0	110.3	R590 K591 R596 L597 M598 I610 I613 M625	R590-V594 WeakPolarHBondContact O-CG2 3.24Å; R590-V594 PolarHBondContact O-N 3.36Å; K591-V594 PolarHBondContact O-N 3.38Å; V594-R596 PolarHBondContact O-N 2.95Å; V594-L597 PolarHBondContact O-N 3Å; V594-M598 HydrophobicContact CG1-CG 4.07Å; V594-M598 WeakPolarHBondContact O-CB 3.32Å; V594-M598 VanDerWaalsContact O-CG 3.31Å; V594-M598 WeakPolarHBondContact O-CG 3.4Å; V594-M598 PolarHBondContact O-N 3.17Å; V594-I610 HydrophobicContact CB-CG2 4.47Å; V594-I610 HydrophobicContact CG1-CG2 4.22Å; V594-I613 HydrophobicContact CG2-CG2 4.09Å; V594-M625 HydrophobicContact CG2-CE 3.38Å
595	A	92.8	Very high	92.3	Very high	48 Å²	48	59.6 Å²	59.6	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-46.1	179.8	0	0	0	0	0	112.6	K591 S599	K591-A595 WeakPolarHBondContact O-CB 3.47Å; K591-A595 PolarHBondContact O-N 2.96Å; A595-S599 VanDerWaalsContact O-CB 3.26Å; A595-S599 WeakPolarHBondContact O-CB 3.46Å; A595-S599 PolarHBondContact O-N 3.34Å
596	R	91.4	Very high	92.1	Very high	66 Å²	66	63.9 Å²	63.9	25%	0.249	34%	0.344	C	S	.	.	H	α-helix	trans	-68.8	-36.1	178.4	172.7	172.6	-70.3	122.6	0.8	113.7	D418 D419 Q592 I593 V594 S599	D418-R596 VanDerWaalsContact C-NH2 3.25Å; D418-R596 PolarHBondContact O-NH1 2.99Å; D418-R596 PolarHBondContact O-NH2 3.17Å; D419-R596 PolarHBondContact O-NH1 2.87Å; D419-R596 VanDerWaalsContact O-NH1 3.08Å; D419-R596 IonicContact OD1-NE 3.71Å; Q592-R596 WeakPolarHBondContact O-CB 3.13Å; Q592-R596 PolarHBondContact O-N 3.01Å; I593-R596 PolarHBondContact O-N 3.19Å; V594-R596 PolarHBondContact O-N 2.95Å; R596-S599 PolarHBondContact O-OG 2.94Å
597	L	92.8	Very high	92	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.246	34%	0.339	C	S	.	.	H	α-helix	trans	-73.6	-42.5	179.4	-69.5	177.6	0	0	0	110.4	I593 V594 K600 T626 C629	I593-L597 HydrophobicContact CG2-CD1 3.71Å; I593-L597 HydrophobicContact CG2-CG 4.35Å; I593-L597 WeakPolarHBondContact O-CB 3.39Å; I593-L597 WeakPolarHBondContact O-CG 3.49Å; I593-L597 PolarHBondContact O-N 2.92Å; V594-L597 PolarHBondContact O-N 3Å; L597-K600 PolarHBondContact O-N 3.33Å; L597-T626 HydrophobicContact CD1-CG2 4.15Å; L597-C629 HydrophobicContact CB-CB 4.22Å; L597-C629 HydrophobicContact CD1-CB 3.81Å
598	M	92.1	Very high	91.9	Very high	18 Å²	18	68.2 Å²	68.2	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-72.4	-25.9	177.1	-61.6	-62.4	89.5	0	0	113.2	V594 K600 E601 C603 L605 C629 I656 F661	V594-M598 HydrophobicContact CG1-CG 4.07Å; V594-M598 WeakPolarHBondContact O-CB 3.32Å; V594-M598 VanDerWaalsContact O-CG 3.31Å; V594-M598 WeakPolarHBondContact O-CG 3.4Å; V594-M598 PolarHBondContact O-N 3.17Å; M598-K600 PolarHBondContact O-N 2.99Å; M598-E601 HydrophobicContact CE-CG 4.28Å; M598-E601 PolarHBondContact O-N 3.49Å; M598-E601 VanDerWaalsContact O-O 3.07Å; M598-C603 HydrophobicContact CB-CB 4.09Å; M598-C603 HydrophobicContact SD-CB 4.19Å; M598-L605 HydrophobicContact CG-CD1 4.31Å; M598-C629 HydrophobicContact CE-CB 3.87Å; M598-I656 HydrophobicContact CE-CD1 4.33Å; M598-I656 HydrophobicContact SD-CD1 4.08Å; M598-I656 HydrophobicContact SD-CG2 4.43Å; M598-F661 HydrophobicContact CE-CZ 4.4Å; M598-F661 HydrophobicContact CG-CZ 4.35Å; M598-F661 HydrophobicContact SD-CE2 3.94Å; M598-F661 HydrophobicContact SD-CZ 3.73Å
599	S	90.1	Very high	91.9	Very high	93 Å²	93	67.3 Å²	67.3	65%	0.65	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	3.1	175.2	78.6	0	0	0	0	114.8	A595 R596	A595-S599 VanDerWaalsContact O-CB 3.26Å; A595-S599 WeakPolarHBondContact O-CB 3.46Å; A595-S599 PolarHBondContact O-N 3.34Å; R596-S599 PolarHBondContact O-OG 2.94Å
600	K	88.1	Confident	91.9	Very high	159 Å²	159	68.2 Å²	68.2	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-5.3	173.7	-61.5	-176	-179.3	-175.3	0	113	L597 M598	L597-K600 PolarHBondContact O-N 3.33Å; M598-K600 PolarHBondContact O-N 2.99Å
601	E	88.7	Confident	91.9	Very high	99 Å²	99	71.7 Å²	71.7	46%	0.463	36%	0.364	S	S	.	.	S	Bend	trans	-125.1	158.1	-168.6	-57	-68.2	167	0	0	109.8	M598 C603 I656	M598-E601 HydrophobicContact CE-CG 4.28Å; M598-E601 PolarHBondContact O-N 3.49Å; M598-E601 VanDerWaalsContact O-O 3.07Å; E601-C603 PolarHBondContact O-N 3.15Å; E601-I656 HydrophobicContact CB-CD1 3.81Å; E601-I656 HydrophobicContact CG-CD1 4.38Å
602	H	85.7	Confident	91.9	Very high	155 Å²	155	72 Å²	72	72%	0.718	37%	0.368	S	S	*	.			trans	-77.2	93.1	173.5	-70	-87.8	0	0	0	110	P655 I656	H602-P655 CarbonylContact O-C 3.55Å; H602-P655 WeakPolarHBondContact O-CA 3.49Å; H602-P655 WeakPolarHBondContact O-CB 3.2Å; H602-I656 PolarHBondContact O-N 3.28Å
603	C	88.5	Confident	91.9	Very high	42 Å²	42	68.8 Å²	68.8	28%	0.284	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-123.8	144.9	-173.4	-175.5	0	0	0	0	111.8	M598 E601 L605 I656	M598-C603 HydrophobicContact CB-CB 4.09Å; M598-C603 HydrophobicContact SD-CB 4.19Å; E601-C603 PolarHBondContact O-N 3.15Å; C603-L605 VanDerWaalsContact SG-CG 3.56Å; C603-I656 HydrophobicContact CB-CB 4.27Å; C603-I656 PolarHBondContact SG-O 3.49Å; C603-I656 VanDerWaalsContact SG-O 3.35Å
604	C	89.3	Confident	92	Very high	63 Å²	63	68.3 Å²	68.3	43%	0.426	35%	0.351	S	S	.	.			trans	-122	30.4	-178.8	58.9	0	0	0	0	113.7	P655 I656	C604-P655 HydrophobicContact CB-CB 4.16Å; C604-P655 HydrophobicContact CB-CG 4.16Å; C604-I656 PolarHBondContact N-O 3.33Å; C604-I656 PolarHBondContact SG-O 3.3Å; C604-I656 VanDerWaalsContact SG-O 3.33Å
605	L	90.5	Very high	92	Very high	28 Å²	28	76.6 Å²	76.6	15%	0.147	38%	0.382	C	S	.	.			trans	-72.9	137.5	176.5	-73.2	172.3	0	0	0	112.9	M598 C603 E609 I610 I613 F658 F661	M598-L605 HydrophobicContact CG-CD1 4.31Å; C603-L605 VanDerWaalsContact SG-CG 3.56Å; L605-E609 HydrophobicContact CD2-CB 3.92Å; L605-I610 HydrophobicContact CB-CD1 4.44Å; L605-I610 HydrophobicContact CB-CG1 4.04Å; L605-I610 HydrophobicContact CD1-CG1 4.21Å; L605-I613 HydrophobicContact CD1-CD1 3.75Å; L605-I613 HydrophobicContact CD2-CD1 3.98Å; L605-F658 HydrophobicContact CD2-CB 3.86Å; L605-F658 HydrophobicContact CD2-CD2 4.47Å; L605-F661 HydrophobicContact CD1-CD2 4.18Å; L605-F661 HydrophobicContact CD1-CE2 3.7Å; L605-F661 HydrophobicContact CD1-CZ 4.24Å; L605-F661 HydrophobicContact CD2-CD2 4.49Å
606	N	92	Very high	92.2	Very high	104 Å²	104	78.2 Å²	78.2	56%	0.556	38%	0.38	S	S	*	.			trans	-87.3	157.8	168.5	-59.4	-86.3	0	0	0	111.1	E608 E609 I610	N606-E608 VanDerWaalsContact C-N 3.28Å; N606-E608 PolarHBondContact O-N 3.11Å; N606-E609 HydrophobicContact CB-CG 4.24Å; N606-E609 WeakPolarHBondContact CB-OE2 3.43Å; N606-E609 PolarHBondContact N-OE2 3.48Å; N606-E609 PolarHBondContact ND2-OE2 2.98Å; N606-E609 WeakPolarHBondContact O-CB 3.46Å; N606-E609 PolarHBondContact O-N 3.48Å; N606-I610 WeakPolarHBondContact O-CG1 3.35Å; N606-I610 PolarHBondContact O-N 3.26Å
607	E	91.6	Very high	92.4	Very high	114 Å²	114	75.1 Å²	75.1	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-57.5	-39.3	-178.7	-173	69.6	173.1	0	0	112.6	K591 E609 I610 E611	K591-E607 WeakPolarHBondContact CE-OE1 3.45Å; K591-E607 IonicContact NZ-OE1 2.73Å; K591-E607 PolarHBondContact NZ-OE1 3.46Å; E607-E609 VanDerWaalsContact C-N 3.33Å; E607-E609 PolarHBondContact O-N 3.49Å; E607-I610 PolarHBondContact O-N 3.27Å; E607-E611 PolarHBondContact O-N 2.86Å
608	E	93.8	Very high	92.4	Very high	165 Å²	165	78.6 Å²	78.6	77%	0.771	39%	0.388	S	S	*	.	H	α-helix	trans	-63.8	-35.5	175.6	-60	-176.2	-173.5	0	0	112.8	N606 E611 L612	N606-E608 VanDerWaalsContact C-N 3.28Å; N606-E608 PolarHBondContact O-N 3.11Å; E608-E611 PolarHBondContact O-N 2.82Å; E608-L612 PolarHBondContact O-N 3.33Å
609	E	94.1	Very high	92.4	Very high	53 Å²	53	79 Å²	79	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-72.7	-37.7	177.9	-63.5	176.6	120.2	0	0	110.9	L605 N606 E607 E611 L612 I613 F658	L605-E609 HydrophobicContact CD2-CB 3.92Å; N606-E609 HydrophobicContact CB-CG 4.24Å; N606-E609 WeakPolarHBondContact CB-OE2 3.43Å; N606-E609 PolarHBondContact N-OE2 3.48Å; N606-E609 PolarHBondContact ND2-OE2 2.98Å; N606-E609 WeakPolarHBondContact O-CB 3.46Å; N606-E609 PolarHBondContact O-N 3.48Å; E607-E609 VanDerWaalsContact C-N 3.33Å; E607-E609 PolarHBondContact O-N 3.49Å; E609-E611 VanDerWaalsContact C-N 3.33Å; E609-L612 PolarHBondContact O-N 3.45Å; E609-I613 VanDerWaalsContact O-CG1 3.32Å; E609-I613 WeakPolarHBondContact O-CG1 3.37Å; E609-I613 PolarHBondContact O-N 3.07Å; E609-F658 HydrophobicContact CB-CB 4.29Å; E609-F658 HydrophobicContact CB-CD2 3.88Å; E609-F658 HydrophobicContact CB-CG 4.3Å; E609-F658 HydrophobicContact CG-CB 4.24Å; E609-F658 HydrophobicContact CG-CD2 4.38Å; E609-F658 HydrophobicContact CG-CG 4.36Å; E609-F658 WeakPolarHBondContact OE1-CB 2.77Å
610	I	94.5	Very high	92.7	Very high	21 Å²	21	75 Å²	75	11%	0.108	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-43.4	171.7	-61.2	173	0	0	0	109.9	K591 V594 L605 N606 E607 L612 I613 V614	K591-I610 HydrophobicContact CG-CG2 3.86Å; V594-I610 HydrophobicContact CB-CG2 4.47Å; V594-I610 HydrophobicContact CG1-CG2 4.22Å; L605-I610 HydrophobicContact CB-CD1 4.44Å; L605-I610 HydrophobicContact CB-CG1 4.04Å; L605-I610 HydrophobicContact CD1-CG1 4.21Å; N606-I610 WeakPolarHBondContact O-CG1 3.35Å; N606-I610 PolarHBondContact O-N 3.26Å; E607-I610 PolarHBondContact O-N 3.27Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.5Å; I610-I613 WeakPolarHBondContact O-CB 3.42Å; I610-I613 PolarHBondContact O-N 2.94Å; I610-V614 VanDerWaalsContact O-CG2 3.3Å; I610-V614 WeakPolarHBondContact O-CG2 3.44Å; I610-V614 PolarHBondContact O-N 3.38Å
611	E	94.8	Very high	93	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-33.2	175.4	-69.4	-164.6	172.6	0	0	113.2	K591 E607 E608 E609 V614 R615	K591-E611 HydrophobicContact CD-CG 4.42Å; K591-E611 IonicContact NZ-OE1 2.64Å; K591-E611 PolarHBondContact NZ-OE1 2.87Å; E607-E611 PolarHBondContact O-N 2.86Å; E608-E611 PolarHBondContact O-N 2.82Å; E609-E611 VanDerWaalsContact C-N 3.33Å; E611-V614 PolarHBondContact O-N 3.44Å; E611-R615 WeakPolarHBondContact O-CB 3.4Å; E611-R615 PolarHBondContact O-N 2.96Å
612	L	95.2	Very high	93.3	Very high	58 Å²	58	63.3 Å²	63.3	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-69.7	-36	173.3	-171.5	54	0	0	0	112.3	E608 E609 I610 R615 K616 F658	E608-L612 PolarHBondContact O-N 3.33Å; E609-L612 PolarHBondContact O-N 3.45Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.5Å; L612-R615 PolarHBondContact O-N 2.96Å; L612-K616 WeakPolarHBondContact O-CB 3.46Å; L612-K616 WeakPolarHBondContact O-CG 3.37Å; L612-K616 PolarHBondContact O-N 3.31Å; L612-F658 HydrophobicContact CB-CE2 4.03Å; L612-F658 HydrophobicContact CB-CZ 4.3Å; L612-F658 HydrophobicContact CD2-CE1 4.04Å; L612-F658 HydrophobicContact CD2-CE2 3.92Å; L612-F658 HydrophobicContact CD2-CZ 3.36Å; L612-F658 HydrophobicContact CG-CE2 3.91Å; L612-F658 HydrophobicContact CG-CZ 3.68Å
613	I	95.5	Very high	93.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-47.2	169.1	-67.6	161.9	0	0	0	110.1	V594 L605 E609 I610 R615 K616 S617 L628 F658 F661 F665	V594-I613 HydrophobicContact CG2-CG2 4.09Å; L605-I613 HydrophobicContact CD1-CD1 3.75Å; L605-I613 HydrophobicContact CD2-CD1 3.98Å; E609-I613 VanDerWaalsContact O-CG1 3.32Å; E609-I613 WeakPolarHBondContact O-CG1 3.37Å; E609-I613 PolarHBondContact O-N 3.07Å; I610-I613 WeakPolarHBondContact O-CB 3.42Å; I610-I613 PolarHBondContact O-N 2.94Å; I613-R615 VanDerWaalsContact C-N 3.3Å; I613-R615 PolarHBondContact O-N 3.46Å; I613-K616 PolarHBondContact O-N 2.84Å; I613-S617 VanDerWaalsContact O-CB 3.31Å; I613-S617 WeakPolarHBondContact O-CB 3.35Å; I613-S617 PolarHBondContact O-N 3.47Å; I613-S617 PolarHBondContact O-OG 3.26Å; I613-L628 HydrophobicContact CG2-CD2 4.19Å; I613-F658 HydrophobicContact CD1-CD2 4.18Å; I613-F658 HydrophobicContact CG1-CD2 3.98Å; I613-F658 HydrophobicContact CG1-CE2 3.9Å; I613-F661 HydrophobicContact CD1-CB 3.98Å; I613-F661 HydrophobicContact CD1-CD1 3.71Å; I613-F661 HydrophobicContact CD1-CD2 3.83Å; I613-F661 HydrophobicContact CD1-CE1 4.11Å; I613-F661 HydrophobicContact CD1-CE2 4.24Å; I613-F661 HydrophobicContact CD1-CG 3.55Å; I613-F661 HydrophobicContact CD1-CZ 4.36Å; I613-F661 HydrophobicContact CG1-CB 4.04Å; I613-F661 HydrophobicContact CG1-CD1 4.07Å; I613-F661 HydrophobicContact CG1-CG 4.05Å; I613-F661 HydrophobicContact CG2-CD1 4.04Å; I613-F661 HydrophobicContact CG2-CE1 4.37Å; I613-F665 HydrophobicContact CG1-CE2 4.44Å; I613-F665 HydrophobicContact CG2-CE2 4.25Å; I613-F665 HydrophobicContact CG2-CZ 4.05Å
614	V	96.3	Very high	94.1	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-36.9	178.2	170.1	0	0	0	0	112.3	A587 R590 K591 I610 E611 S617	A587-V614 HydrophobicContact CB-CG1 3.65Å; A587-V614 VanDerWaalsContact O-CG1 3.28Å; A587-V614 WeakPolarHBondContact O-CG1 3.25Å; R590-V614 HydrophobicContact CB-CG2 4.39Å; R590-V614 PolarHBondContact NH2-O 2.93Å; K591-V614 HydrophobicContact CB-CG2 3.77Å; K591-V614 HydrophobicContact CG-CG2 4.21Å; I610-V614 VanDerWaalsContact O-CG2 3.3Å; I610-V614 WeakPolarHBondContact O-CG2 3.44Å; I610-V614 PolarHBondContact O-N 3.38Å; E611-V614 PolarHBondContact O-N 3.44Å; V614-S617 VanDerWaalsContact CA-OG 3.31Å; V614-S617 WeakPolarHBondContact CA-OG 3.28Å; V614-S617 PolarHBondContact O-OG 3.29Å; V614-S617 VanDerWaalsContact O-OG 3.13Å
615	R	95.5	Very high	94.4	Very high	175 Å²	175	53.5 Å²	53.5	66%	0.66	27%	0.271	S	S	*	.	H	α-helix	trans	-69.6	-40.8	175.6	-163.9	180	-58.4	146.8	7.8	112.6	E611 L612 I613	E611-R615 WeakPolarHBondContact O-CB 3.4Å; E611-R615 PolarHBondContact O-N 2.96Å; L612-R615 PolarHBondContact O-N 2.96Å; I613-R615 VanDerWaalsContact C-N 3.3Å; I613-R615 PolarHBondContact O-N 3.46Å
616	K	95.2	Very high	94.7	Very high	82 Å²	82	55.4 Å²	55.4	36%	0.357	28%	0.284	S	S	.	.	H	α-helix	trans	-73.2	-29.9	177.8	-74.9	178.8	178.5	-178.1	0	113.7	L612 I613 N618 E662 F665	L612-K616 WeakPolarHBondContact O-CB 3.46Å; L612-K616 WeakPolarHBondContact O-CG 3.37Å; L612-K616 PolarHBondContact O-N 3.31Å; I613-K616 PolarHBondContact O-N 2.84Å; K616-N618 VanDerWaalsContact C-N 3.26Å; K616-N618 PolarHBondContact O-N 3.14Å; K616-E662 IonicContact NZ-OE1 2.75Å; K616-E662 PolarHBondContact NZ-OE1 3.38Å; K616-F665 HydrophobicContact CB-CD2 4.25Å; K616-F665 HydrophobicContact CB-CE1 3.97Å; K616-F665 HydrophobicContact CB-CE2 3.69Å; K616-F665 HydrophobicContact CB-CZ 3.53Å; K616-F665 HydrophobicContact CD-CD2 4.06Å; K616-F665 HydrophobicContact CD-CE2 3.98Å; K616-F665 HydrophobicContact CG-CE2 4.5Å
617	S	95.6	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	28.2	-178.1	53.1	0	0	0	0	114.9	R590 I613 V614 G619 F620 M625	R590-S617 WeakPolarHBondContact CD-O 3.46Å; R590-S617 PolarHBondContact NE-O 3.06Å; R590-S617 PolarHBondContact NE-OG 3.46Å; I613-S617 VanDerWaalsContact O-CB 3.31Å; I613-S617 WeakPolarHBondContact O-CB 3.35Å; I613-S617 PolarHBondContact O-N 3.47Å; I613-S617 PolarHBondContact O-OG 3.26Å; V614-S617 VanDerWaalsContact CA-OG 3.31Å; V614-S617 WeakPolarHBondContact CA-OG 3.28Å; V614-S617 PolarHBondContact O-OG 3.29Å; V614-S617 VanDerWaalsContact O-OG 3.13Å; S617-G619 PolarHBondContact O-N 3.49Å; S617-F620 WeakPolarHBondContact O-CB 3.2Å; S617-F620 WeakPolarHBondContact O-CD1 3.34Å; S617-F620 PolarHBondContact O-N 3.36Å; S617-M625 WeakPolarHBondContact CB-SD 3.32Å
618	N	93.8	Very high	95.1	Very high	121 Å²	121	50.3 Å²	50.3	65%	0.647	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	137.3	179.2	-163.7	28.2	0	0	0	111.3	K616 F620	K616-N618 VanDerWaalsContact C-N 3.26Å; K616-N618 PolarHBondContact O-N 3.14Å; N618-F620 VanDerWaalsContact C-N 3.3Å; N618-F620 PolarHBondContact O-N 2.94Å
619	G	92.2	Very high	95.2	Very high	25 Å²	25	42.6 Å²	42.6	26%	0.258	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	1.9	-176.1	0	0	0	0	0	116.2	S617	S617-G619 PolarHBondContact O-N 3.49Å
620	F	95.5	Very high	95.3	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	24%	0.242	C	C	.	.			trans	-73.7	135.8	177.9	-82.1	50.4	0	0	0	111.6	P585 S617 N618 D624 M625 L628 F665 V668 P670	P585-F620 WeakPolarHBondContact CD-O 3.09Å; P585-F620 WeakPolarHBondContact CG-O 3.22Å; S617-F620 WeakPolarHBondContact O-CB 3.2Å; S617-F620 WeakPolarHBondContact O-CD1 3.34Å; S617-F620 PolarHBondContact O-N 3.36Å; N618-F620 VanDerWaalsContact C-N 3.3Å; N618-F620 PolarHBondContact O-N 2.94Å; F620-D624 HydrophobicContact CB-CB 3.94Å; F620-D624 HydrophobicContact CD2-CB 3.64Å; F620-D624 HydrophobicContact CE2-CB 4.45Å; F620-D624 HydrophobicContact CG-CB 4.03Å; F620-M625 HydrophobicContact CB-CG 4.03Å; F620-M625 HydrophobicContact CB-SD 3.8Å; F620-M625 HydrophobicContact CD2-SD 4Å; F620-M625 HydrophobicContact CG-SD 4.19Å; F620-L628 HydrophobicContact CE2-CB 4.42Å; F620-L628 HydrophobicContact CE2-CD1 4.3Å; F620-L628 HydrophobicContact CE2-CD2 4.3Å; F620-F665 HydrophobicContact CE1-CE1 4.37Å; F620-F665 HydrophobicContact CE2-CD1 4.36Å; F620-F665 HydrophobicContact CE2-CE1 4.12Å; F620-F665 AromaticContact CZ-CD1 3.87Å; F620-F665 HydrophobicContact CZ-CD1 3.87Å; F620-F665 AromaticContact CZ-CE1 3.84Å; F620-F665 HydrophobicContact CZ-CE1 3.84Å; F620-V668 HydrophobicContact CD2-CG1 4.5Å; F620-V668 HydrophobicContact CE2-CB 4.38Å; F620-V668 HydrophobicContact CE2-CG1 3.74Å; F620-V668 HydrophobicContact CZ-CG1 4.41Å; F620-P670 HydrophobicContact CD1-CG 3.88Å; F620-P670 HydrophobicContact CE1-CG 3.76Å
621	S	95.9	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.			trans	-70.6	168.2	168.1	92.8	0	0	0	0	112.2	A623 D624 M625	S621-A623 VanDerWaalsContact C-N 3.26Å; S621-A623 PolarHBondContact O-N 2.8Å; S621-A623 PolarHBondContact OG-N 2.86Å; S621-A623 VanDerWaalsContact OG-N 3.17Å; S621-D624 WeakPolarHBondContact CB-OD1 3.43Å; S621-D624 VanDerWaalsContact N-CG 3.28Å; S621-D624 PolarHBondContact N-OD2 2.95Å; S621-D624 PolarHBondContact O-N 3.45Å; S621-D624 PolarHBondContact OG-N 3.43Å; S621-D624 PolarHBondContact OG-OD1 2.83Å; S621-M625 WeakPolarHBondContact O-CG 3.29Å; S621-M625 PolarHBondContact O-N 3.27Å
622	G	94.4	Very high	95.3	Very high	14 Å²	14	44.9 Å²	44.9	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-32.7	173.2	0	0	0	0	0	112.9	G461 T626	G461-G622 CarbonylContact O-C 3.57Å; G461-G622 VanDerWaalsContact O-CA 3.28Å; G461-G622 WeakPolarHBondContact O-CA 3.25Å; G461-G622 PolarHBondContact O-N 2.89Å; G461-G622 VanDerWaalsContact O-N 3.11Å; G622-T626 WeakPolarHBondContact O-CB 3.46Å; G622-T626 PolarHBondContact O-N 3.04Å; G622-T626 PolarHBondContact O-OG1 2.93Å
623	A	94.8	Very high	95.3	Very high	48 Å²	48	43.5 Å²	43.5	40%	0.397	22%	0.219	S	C	.	.	H	α-helix	trans	-69	-42.1	171.1	0	0	0	0	0	111.5	G461 S621 M625 T626 Q627	G461-A623 PolarHBondContact O-N 2.87Å; S621-A623 VanDerWaalsContact C-N 3.26Å; S621-A623 PolarHBondContact O-N 2.8Å; S621-A623 PolarHBondContact OG-N 2.86Å; S621-A623 VanDerWaalsContact OG-N 3.17Å; A623-M625 VanDerWaalsContact C-N 3.32Å; A623-M625 PolarHBondContact O-N 3.41Å; A623-T626 PolarHBondContact O-N 3.02Å; A623-T626 VanDerWaalsContact O-N 3.15Å; A623-Q627 WeakPolarHBondContact O-CB 3.39Å; A623-Q627 PolarHBondContact O-N 3.38Å
624	D	96.2	Very high	95.1	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-40.7	178	-49	1	0	0	0	110.4	F620 S621 Q627 L628 P670 S671	F620-D624 HydrophobicContact CB-CB 3.94Å; F620-D624 HydrophobicContact CD2-CB 3.64Å; F620-D624 HydrophobicContact CE2-CB 4.45Å; F620-D624 HydrophobicContact CG-CB 4.03Å; S621-D624 WeakPolarHBondContact CB-OD1 3.43Å; S621-D624 VanDerWaalsContact N-CG 3.28Å; S621-D624 PolarHBondContact N-OD2 2.95Å; S621-D624 PolarHBondContact O-N 3.45Å; S621-D624 PolarHBondContact OG-N 3.43Å; S621-D624 PolarHBondContact OG-OD1 2.83Å; D624-Q627 PolarHBondContact O-N 3.07Å; D624-L628 WeakPolarHBondContact O-CB 3.38Å; D624-L628 PolarHBondContact O-N 2.8Å; D624-P670 WeakPolarHBondContact OD2-CA 3.41Å; D624-S671 VanDerWaalsContact CG-OG 3.29Å; D624-S671 WeakPolarHBondContact OD1-CB 3.35Å; D624-S671 PolarHBondContact OD1-OG 2.94Å; D624-S671 PolarHBondContact OD2-N 3.33Å; D624-S671 PolarHBondContact OD2-OG 2.67Å
625	M	96.3	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-39.7	173.9	-71.4	-56.9	-62.1	0	0	112.5	R590 I593 V594 S617 F620 S621 A623 L628 C629	R590-M625 HydrophobicContact CB-CE 4.08Å; R590-M625 HydrophobicContact CB-SD 4.41Å; R590-M625 HydrophobicContact CG-CG 4.1Å; R590-M625 HydrophobicContact CG-SD 4.23Å; I593-M625 HydrophobicContact CD1-CB 4.43Å; I593-M625 HydrophobicContact CG2-CB 3.84Å; V594-M625 HydrophobicContact CG2-CE 3.38Å; S617-M625 WeakPolarHBondContact CB-SD 3.32Å; F620-M625 HydrophobicContact CB-CG 4.03Å; F620-M625 HydrophobicContact CB-SD 3.8Å; F620-M625 HydrophobicContact CD2-SD 4Å; F620-M625 HydrophobicContact CG-SD 4.19Å; S621-M625 WeakPolarHBondContact O-CG 3.29Å; S621-M625 PolarHBondContact O-N 3.27Å; A623-M625 VanDerWaalsContact C-N 3.32Å; A623-M625 PolarHBondContact O-N 3.41Å; M625-L628 HydrophobicContact CE-CD2 4.31Å; M625-L628 PolarHBondContact O-N 2.81Å; M625-L628 HydrophobicContact SD-CD2 4.31Å; M625-C629 PolarHBondContact O-N 2.89Å; M625-C629 PolarHBondContact O-SG 3.35Å
626	T	94.9	Very high	94.6	Very high	67 Å²	67	38.4 Å²	38.4	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-67.1	-39.8	175.6	-55.2	0	0	0	0	111	L597 G622 A623 C629 R630	L597-T626 HydrophobicContact CD1-CG2 4.15Å; G622-T626 WeakPolarHBondContact O-CB 3.46Å; G622-T626 PolarHBondContact O-N 3.04Å; G622-T626 PolarHBondContact O-OG1 2.93Å; A623-T626 PolarHBondContact O-N 3.02Å; A623-T626 VanDerWaalsContact O-N 3.15Å; T626-C629 PolarHBondContact O-N 3.27Å; T626-R630 WeakPolarHBondContact O-CB 3.47Å; T626-R630 PolarHBondContact O-N 3.14Å
627	Q	96.3	Very high	94.4	Very high	111 Å²	111	37.8 Å²	37.8	52%	0.519	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-40.5	174.4	-176	175.9	-12.6	0	0	111.8	A623 D624 R630 E631 V668	A623-Q627 WeakPolarHBondContact O-CB 3.39Å; A623-Q627 PolarHBondContact O-N 3.38Å; D624-Q627 PolarHBondContact O-N 3.07Å; Q627-R630 PolarHBondContact O-N 3.29Å; Q627-E631 WeakPolarHBondContact O-CB 3.29Å; Q627-E631 PolarHBondContact O-N 2.88Å; Q627-V668 HydrophobicContact CG-CG2 4.07Å
628	L	96.6	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-46.6	174.2	-177.2	76.1	0	0	0	111.4	I613 F620 D624 M625 E631 A632 F661 A664 F665 V668	I613-L628 HydrophobicContact CG2-CD2 4.19Å; F620-L628 HydrophobicContact CE2-CB 4.42Å; F620-L628 HydrophobicContact CE2-CD1 4.3Å; F620-L628 HydrophobicContact CE2-CD2 4.3Å; D624-L628 WeakPolarHBondContact O-CB 3.38Å; D624-L628 PolarHBondContact O-N 2.8Å; M625-L628 HydrophobicContact CE-CD2 4.31Å; M625-L628 PolarHBondContact O-N 2.81Å; M625-L628 HydrophobicContact SD-CD2 4.31Å; L628-E631 PolarHBondContact O-N 3.21Å; L628-A632 WeakPolarHBondContact O-CB 3.35Å; L628-A632 PolarHBondContact O-N 3.41Å; L628-F661 HydrophobicContact CD2-CD1 4.16Å; L628-F661 HydrophobicContact CD2-CE1 4.46Å; L628-F661 HydrophobicContact CG-CD1 4.07Å; L628-F661 HydrophobicContact CG-CE1 4.34Å; L628-A664 HydrophobicContact CD1-CB 3.7Å; L628-A664 HydrophobicContact CG-CB 4.48Å; L628-F665 HydrophobicContact CD1-CD1 3.74Å; L628-F665 HydrophobicContact CD1-CD2 4.36Å; L628-F665 HydrophobicContact CD1-CE1 3.89Å; L628-F665 HydrophobicContact CD1-CE2 4.49Å; L628-F665 HydrophobicContact CD1-CG 3.98Å; L628-F665 HydrophobicContact CD1-CZ 4.27Å; L628-F665 HydrophobicContact CD2-CD1 4.34Å; L628-F665 HydrophobicContact CD2-CE1 3.62Å; L628-F665 HydrophobicContact CD2-CE2 4.22Å; L628-F665 HydrophobicContact CD2-CZ 3.55Å; L628-F665 HydrophobicContact CG-CE1 4.44Å; L628-V668 HydrophobicContact CD1-CB 4.33Å
629	C	95.8	Very high	93.6	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-40.6	176.7	-65.6	0	0	0	0	112.1	L597 M598 M625 T626 A632 S633	L597-C629 HydrophobicContact CB-CB 4.22Å; L597-C629 HydrophobicContact CD1-CB 3.81Å; M598-C629 HydrophobicContact CE-CB 3.87Å; M625-C629 PolarHBondContact O-N 2.89Å; M625-C629 PolarHBondContact O-SG 3.35Å; T626-C629 PolarHBondContact O-N 3.27Å; C629-A632 PolarHBondContact O-N 3.36Å; C629-S633 PolarHBondContact O-N 2.96Å
630	R	95.5	Very high	93.2	Very high	183 Å²	183	43.1 Å²	43.1	69%	0.691	22%	0.223	S	C	*	.	H	α-helix	trans	-69	-35.7	176.3	-175.9	179.7	-179.3	-175.2	1.2	113	T626 Q627 S633 L634	T626-R630 WeakPolarHBondContact O-CB 3.47Å; T626-R630 PolarHBondContact O-N 3.14Å; Q627-R630 PolarHBondContact O-N 3.29Å; R630-S633 PolarHBondContact O-OG 2.91Å; R630-L634 WeakPolarHBondContact O-CG 3.47Å; R630-L634 PolarHBondContact O-N 3.01Å
631	E	95.6	Very high	92.3	Very high	26 Å²	26	49.6 Å²	49.6	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-69.8	-36.7	176	179.4	70.4	178.4	0	0	110.6	Q627 L628 R638 A664 T667 V668	Q627-E631 WeakPolarHBondContact O-CB 3.29Å; Q627-E631 PolarHBondContact O-N 2.88Å; L628-E631 PolarHBondContact O-N 3.21Å; E631-R638 IonicContact OE1-CZ 2.71Å; E631-R638 IonicContact OE1-NH1 2.83Å; E631-R638 PolarHBondContact OE1-NH1 2.92Å; E631-R638 IonicContact OE1-NH2 2.57Å; E631-R638 IonicContact OE2-CZ 3.51Å; E631-R638 IonicContact OE2-NH1 3.36Å; E631-R638 PolarHBondContact OE2-NH1 2.81Å; E631-R638 IonicContact OE2-NH2 3.42Å; E631-R638 PolarHBondContact OE2-NH2 3.49Å; E631-A664 HydrophobicContact CB-CB 3.81Å; E631-A664 HydrophobicContact CG-CB 3.49Å; E631-A664 VanDerWaalsContact CG-CB 3.49Å; E631-T667 VanDerWaalsContact OE1-CB 3.22Å; E631-T667 WeakPolarHBondContact OE1-CB 3.43Å; E631-T667 WeakPolarHBondContact OE1-CG2 3.5Å; E631-T667 PolarHBondContact OE1-OG1 2.96Å; E631-V668 HydrophobicContact CB-CG2 4.16Å; E631-V668 HydrophobicContact CG-CG2 4.22Å
632	A	94.9	Very high	91.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.4	-38.8	172.2	0	0	0	0	0	112.9	L628 C629 L634 G635 P636 I656 D660 F661 A664	L628-A632 WeakPolarHBondContact O-CB 3.35Å; L628-A632 PolarHBondContact O-N 3.41Å; C629-A632 PolarHBondContact O-N 3.36Å; A632-L634 PolarHBondContact O-N 3.01Å; A632-G635 WeakPolarHBondContact O-CA 3.46Å; A632-G635 PolarHBondContact O-N 3.43Å; A632-P636 WeakPolarHBondContact O-CD 3.43Å; A632-I656 HydrophobicContact CB-CG2 4.2Å; A632-D660 HydrophobicContact CB-CB 4.13Å; A632-D660 WeakPolarHBondContact O-CB 3.44Å; A632-F661 HydrophobicContact CB-CD1 4Å; A632-F661 HydrophobicContact CB-CD2 3.63Å; A632-F661 HydrophobicContact CB-CE1 3.97Å; A632-F661 HydrophobicContact CB-CE2 3.57Å; A632-F661 HydrophobicContact CB-CG 3.84Å; A632-F661 HydrophobicContact CB-CZ 3.76Å; A632-A664 HydrophobicContact CB-CB 4.28Å
633	S	94	Very high	89.6	Confident	30 Å²	30	61.9 Å²	61.9	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-20.4	176.6	70.7	0	0	0	0	113.9	C629 R630 G635 I656	C629-S633 PolarHBondContact O-N 2.96Å; R630-S633 PolarHBondContact O-OG 2.91Å; S633-G635 VanDerWaalsContact C-N 3.33Å; S633-I656 VanDerWaalsContact CB-CD1 3.48Å
634	L	92.7	Very high	88.4	Confident	65 Å²	65	63 Å²	63	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-80	-11.4	167.1	-65.5	176	0	0	0	113.5	R630 A632 I637 R638	R630-L634 WeakPolarHBondContact O-CG 3.47Å; R630-L634 PolarHBondContact O-N 3.01Å; A632-L634 PolarHBondContact O-N 3.01Å; L634-I637 HydrophobicContact CD2-CD1 4.2Å; L634-I637 PolarHBondContact O-N 3.04Å; L634-R638 WeakPolarHBondContact O-CB 3.28Å; L634-R638 WeakPolarHBondContact O-CD 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.43Å; L634-R638 PolarHBondContact O-N 3.19Å
635	G	90.8	Very high	87.6	Confident	12 Å²	12	67.1 Å²	67.1	12%	0.124	34%	0.342	C	S	.	.	H	α-helix	trans	-57.8	-50.6	178.9	0	0	0	0	0	114.1	A632 S633 I637 R638 S639 R654 D660	A632-G635 WeakPolarHBondContact O-CA 3.46Å; A632-G635 PolarHBondContact O-N 3.43Å; S633-G635 VanDerWaalsContact C-N 3.33Å; G635-I637 PolarHBondContact O-N 3.23Å; G635-R638 PolarHBondContact O-N 3.35Å; G635-S639 PolarHBondContact O-N 3.14Å; G635-S639 PolarHBondContact O-OG 2.94Å; G635-R654 PolarHBondContact O-NH2 2.83Å; G635-D660 VanDerWaalsContact CA-OD1 3.29Å; G635-D660 WeakPolarHBondContact CA-OD1 3.41Å
636	P	90.8	Very high	86.8	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.019	38%	0.378	C	S	.	.	H	α-helix	trans	-50.8	-52.4	170.3	-31.2	37.1	0	0	0	113.8	A632 R638 S639 V653 R654 I656	A632-P636 WeakPolarHBondContact O-CD 3.43Å; P636-R638 VanDerWaalsContact C-N 3.32Å; P636-R638 PolarHBondContact O-N 2.8Å; P636-S639 PolarHBondContact O-N 2.96Å; P636-S639 PolarHBondContact O-OG 3.02Å; P636-V653 HydrophobicContact CB-CG1 3.69Å; P636-R654 HydrophobicContact CB-CG 3.88Å; P636-R654 VanDerWaalsContact CB-O 3.3Å; P636-R654 WeakPolarHBondContact CB-O 3.23Å; P636-R654 HydrophobicContact CG-CG 4.34Å; P636-R654 WeakPolarHBondContact CG-O 3.42Å; P636-I656 HydrophobicContact CG-CG1 4.13Å
637	I	89.6	Confident	86.1	Confident	70 Å²	70	74.3 Å²	74.3	36%	0.359	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-40	-177.1	-56.1	178.2	0	0	0	111.1	L634 G635 S639 L640 I645	L634-I637 HydrophobicContact CD2-CD1 4.2Å; L634-I637 PolarHBondContact O-N 3.04Å; G635-I637 PolarHBondContact O-N 3.23Å; I637-S639 PolarHBondContact O-N 3.33Å; I637-L640 WeakPolarHBondContact O-CB 3.39Å; I637-L640 PolarHBondContact O-N 3.14Å; I637-I645 HydrophobicContact CG2-CD1 3.66Å
638	R	88.2	Confident	85.4	Confident	143 Å²	143	71 Å²	71	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-71.6	-12.9	177.3	-69	168.7	-173.5	-179.9	6.2	114.4	E631 L634 G635 P636	E631-R638 IonicContact OE1-CZ 2.71Å; E631-R638 IonicContact OE1-NH1 2.83Å; E631-R638 PolarHBondContact OE1-NH1 2.92Å; E631-R638 IonicContact OE1-NH2 2.57Å; E631-R638 IonicContact OE2-CZ 3.51Å; E631-R638 IonicContact OE2-NH1 3.36Å; E631-R638 PolarHBondContact OE2-NH1 2.81Å; E631-R638 IonicContact OE2-NH2 3.42Å; E631-R638 PolarHBondContact OE2-NH2 3.49Å; L634-R638 WeakPolarHBondContact O-CB 3.28Å; L634-R638 WeakPolarHBondContact O-CD 3.24Å; L634-R638 WeakPolarHBondContact O-CG 3.43Å; L634-R638 PolarHBondContact O-N 3.19Å; G635-R638 PolarHBondContact O-N 3.35Å; P636-R638 VanDerWaalsContact C-N 3.32Å; P636-R638 PolarHBondContact O-N 2.8Å
639	S	84.2	Confident	84.6	Confident	68 Å²	68	76 Å²	76	48%	0.476	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.8	173.7	56	0	0	0	0	114.3	G635 P636 I637 R654	G635-S639 PolarHBondContact O-N 3.14Å; G635-S639 PolarHBondContact O-OG 2.94Å; P636-S639 PolarHBondContact O-N 2.96Å; P636-S639 PolarHBondContact O-OG 3.02Å; I637-S639 PolarHBondContact O-N 3.33Å; S639-R654 PolarHBondContact OG-NE 3.48Å; S639-R654 PolarHBondContact OG-NH2 2.91Å; S639-R654 VanDerWaalsContact OG-NH2 3.1Å
640	L	84.4	Confident	83.8	Confident	46 Å²	46	80.8 Å²	80.8	24%	0.241	43%	0.428	C	S	.	.	S	Bend	trans	-80.6	155.2	169.8	-55.6	175.7	0	0	0	110.5	I637 I648	I637-L640 WeakPolarHBondContact O-CB 3.39Å; I637-L640 PolarHBondContact O-N 3.14Å; L640-I648 HydrophobicContact CD1-CD1 3.75Å; L640-I648 HydrophobicContact CD1-CG2 4.26Å; L640-I648 HydrophobicContact CD2-CD1 3.75Å; L640-I648 HydrophobicContact CG-CD1 4.42Å
641	Q	76.4	Confident	83.1	Confident	146 Å²	146	79.1 Å²	79.1	68%	0.682	43%	0.433	S	S	*	.			trans	-81.6	151.8	172.3	-54.7	-163.5	9.5	0	0	110.9	M643 D644	Q641-M643 PolarHBondContact O-N 3.42Å; Q641-D644 WeakPolarHBondContact CB-OD2 3.44Å; Q641-D644 PolarHBondContact O-N 3.12Å
642	S	70.1	Confident	82.5	Confident	116 Å²	116	83.9 Å²	83.9	81%	0.811	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-11	-173.9	-45.5	0	0	0	0	115.3
643	M	63.2	Low	82.1	Confident	156 Å²	156	86 Å²	86	77%	0.768	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-25.1	178.9	-64	-177.7	65.3	0	0	112.9	Q641 T646	Q641-M643 PolarHBondContact O-N 3.42Å; M643-T646 PolarHBondContact O-OG1 3.22Å
644	D	70.8	Confident	81.9	Confident	72 Å²	72	88.8 Å²	88.8	39%	0.385	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-23.6	-172.3	-49	-46	0	0	0	112.5	Q641 T646 T647 I648	Q641-D644 WeakPolarHBondContact CB-OD2 3.44Å; Q641-D644 PolarHBondContact O-N 3.12Å; D644-T646 PolarHBondContact O-N 2.88Å; D644-T646 VanDerWaalsContact O-N 3.08Å; D644-T647 PolarHBondContact O-N 3.28Å; D644-T647 PolarHBondContact O-OG1 3.11Å; D644-T647 VanDerWaalsContact O-OG1 3.08Å; D644-I648 WeakPolarHBondContact O-CB 3.33Å; D644-I648 WeakPolarHBondContact O-CG2 3.29Å; D644-I648 PolarHBondContact O-N 2.92Å
645	I	77.8	Confident	81.9	Confident	91 Å²	91	88.6 Å²	88.6	47%	0.467	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.1	-173.9	-163.2	168.3	0	0	0	114.2	I637	I637-I645 HydrophobicContact CG2-CD1 3.66Å
646	T	79.9	Confident	82	Confident	121 Å²	121	88.3 Å²	88.3	74%	0.742	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.2	175.3	54.1	0	0	0	0	113.6	M643 D644	M643-T646 PolarHBondContact O-OG1 3.22Å; D644-T646 PolarHBondContact O-N 2.88Å; D644-T646 VanDerWaalsContact O-N 3.08Å
647	T	80.4	Confident	82.1	Confident	97 Å²	97	89.5 Å²	89.5	60%	0.595	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-21.8	-174.9	48	0	0	0	0	114.4	D644 M649	D644-T647 PolarHBondContact O-N 3.28Å; D644-T647 PolarHBondContact O-OG1 3.11Å; D644-T647 VanDerWaalsContact O-OG1 3.08Å; T647-M649 WeakPolarHBondContact O-CE 3.38Å
648	I	82	Confident	82.3	Confident	42 Å²	42	87.6 Å²	87.6	22%	0.215	47%	0.471	C	S	.	.			trans	-67.5	139.3	-178.5	-164.3	169.5	0	0	0	112.5	L640 D644 E652 V653	L640-I648 HydrophobicContact CD1-CD1 3.75Å; L640-I648 HydrophobicContact CD1-CG2 4.26Å; L640-I648 HydrophobicContact CD2-CD1 3.75Å; L640-I648 HydrophobicContact CG-CD1 4.42Å; D644-I648 WeakPolarHBondContact O-CB 3.33Å; D644-I648 WeakPolarHBondContact O-CG2 3.29Å; D644-I648 PolarHBondContact O-N 2.92Å; I648-E652 HydrophobicContact CD1-CB 4.08Å; I648-E652 HydrophobicContact CG1-CB 3.64Å; I648-V653 HydrophobicContact CD1-CG2 4.23Å
649	M	79.8	Confident	82.6	Confident	104 Å²	104	86.2 Å²	86.2	51%	0.512	47%	0.474	S	S	.	.			trans	-83	153.7	173.3	-62.7	-64.1	96.4	0	0	111.4	T647 D651 E652	T647-M649 WeakPolarHBondContact O-CE 3.38Å; M649-D651 PolarHBondContact O-N 2.75Å; M649-E652 HydrophobicContact CB-CG 4.12Å; M649-E652 PolarHBondContact N-OE2 3.19Å; M649-E652 WeakPolarHBondContact O-CB 3.17Å; M649-E652 PolarHBondContact O-N 2.89Å
650	P	79.3	Confident	83.1	Confident	106 Å²	106	83.4 Å²	83.4	69%	0.688	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-55	-38.4	-179.9	-27	35.8	0	0	0	114	E652 V653	P650-E652 VanDerWaalsContact C-N 3.26Å; P650-E652 PolarHBondContact O-N 3.41Å; P650-V653 PolarHBondContact O-N 3.45Å
651	D	80.9	Confident	83.7	Confident	148 Å²	148	81.2 Å²	81.2	79%	0.791	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13	-178.4	-53.1	-48.9	0	0	0	113.7	M649	M649-D651 PolarHBondContact O-N 2.75Å
652	E	82.3	Confident	84.5	Confident	126 Å²	126	77.6 Å²	77.6	59%	0.589	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-88.8	-11.1	177	-63.4	174.7	141.8	0	0	112.1	I648 M649 P650 R654	I648-E652 HydrophobicContact CD1-CB 4.08Å; I648-E652 HydrophobicContact CG1-CB 3.64Å; M649-E652 HydrophobicContact CB-CG 4.12Å; M649-E652 PolarHBondContact N-OE2 3.19Å; M649-E652 WeakPolarHBondContact O-CB 3.17Å; M649-E652 PolarHBondContact O-N 2.89Å; P650-E652 VanDerWaalsContact C-N 3.26Å; P650-E652 PolarHBondContact O-N 3.41Å; E652-R654 PolarHBondContact O-N 2.86Å
653	V	86.9	Confident	85.7	Confident	43 Å²	43	74.6 Å²	74.6	26%	0.261	40%	0.404	S	S	.	.	S	Bend	trans	-74	121.3	175.1	-176	0	0	0	0	109.2	P636 I648 P650	P636-V653 HydrophobicContact CB-CG1 3.69Å; I648-V653 HydrophobicContact CD1-CG2 4.23Å; P650-V653 PolarHBondContact O-N 3.45Å
654	R	89.4	Confident	87.3	Confident	90 Å²	90	67.2 Å²	67.2	34%	0.34	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.7	148.1	179.3	69.6	170.5	-177.3	81.2	-2.1	112.1	G635 P636 S639 E652 D660	G635-R654 PolarHBondContact O-NH2 2.83Å; P636-R654 HydrophobicContact CB-CG 3.88Å; P636-R654 VanDerWaalsContact CB-O 3.3Å; P636-R654 WeakPolarHBondContact CB-O 3.23Å; P636-R654 HydrophobicContact CG-CG 4.34Å; P636-R654 WeakPolarHBondContact CG-O 3.42Å; S639-R654 PolarHBondContact OG-NE 3.48Å; S639-R654 PolarHBondContact OG-NH2 2.91Å; S639-R654 VanDerWaalsContact OG-NH2 3.1Å; E652-R654 PolarHBondContact O-N 2.86Å; R654-D660 IonicContact CZ-OD1 3.64Å; R654-D660 IonicContact CZ-OD2 3.86Å; R654-D660 IonicContact NH1-OD1 3.6Å; R654-D660 PolarHBondContact NH1-OD1 3.34Å; R654-D660 IonicContact NH1-OD2 3.73Å; R654-D660 PolarHBondContact NH1-OD2 3.34Å; R654-D660 IonicContact NH2-OD1 3.63Å; R654-D660 PolarHBondContact NH2-OD1 3.47Å; R654-D660 IonicContact NH2-OD2 2.75Å
655	P	91.9	Very high	88.5	Confident	60 Å²	60	65 Å²	65	39%	0.39	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-65	158.6	175.5	27.2	-35.3	0	0	0	112.9	H602 C604 A657	H602-P655 CarbonylContact O-C 3.55Å; H602-P655 WeakPolarHBondContact O-CA 3.49Å; H602-P655 WeakPolarHBondContact O-CB 3.2Å; C604-P655 HydrophobicContact CB-CB 4.16Å; C604-P655 HydrophobicContact CB-CG 4.16Å; P655-A657 PolarHBondContact O-N 3.44Å
656	I	94	Very high	89.3	Confident	7 Å²	7	67.3 Å²	67.3	4%	0.036	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-71.2	122.3	175.8	-50.6	167.6	0	0	0	109.4	M598 E601 H602 C603 C604 A632 S633 P636 D660 F661	M598-I656 HydrophobicContact CE-CD1 4.33Å; M598-I656 HydrophobicContact SD-CD1 4.08Å; M598-I656 HydrophobicContact SD-CG2 4.43Å; E601-I656 HydrophobicContact CB-CD1 3.81Å; E601-I656 HydrophobicContact CG-CD1 4.38Å; H602-I656 PolarHBondContact O-N 3.28Å; C603-I656 HydrophobicContact CB-CB 4.27Å; C603-I656 PolarHBondContact SG-O 3.49Å; C603-I656 VanDerWaalsContact SG-O 3.35Å; C604-I656 PolarHBondContact N-O 3.33Å; C604-I656 PolarHBondContact SG-O 3.3Å; C604-I656 VanDerWaalsContact SG-O 3.33Å; A632-I656 HydrophobicContact CB-CG2 4.2Å; S633-I656 VanDerWaalsContact CB-CD1 3.48Å; P636-I656 HydrophobicContact CG-CG1 4.13Å; I656-D660 HydrophobicContact CG2-CB 4.22Å; I656-F661 HydrophobicContact CG2-CD2 4.39Å; I656-F661 HydrophobicContact CG2-CE2 3.88Å
657	A	93.5	Very high	89.9	Confident	28 Å²	28	65.7 Å²	65.7	23%	0.231	35%	0.351	C	S	.	.			trans	-116.9	168.8	-177.3	0	0	0	0	0	112.2	P655 L659 D660	P655-A657 PolarHBondContact O-N 3.44Å; A657-L659 PolarHBondContact O-N 3.18Å; A657-L659 VanDerWaalsContact O-N 3.17Å; A657-D660 PolarHBondContact N-OD2 3.14Å; A657-D660 WeakPolarHBondContact O-CB 3.31Å; A657-D660 PolarHBondContact O-N 3.11Å
658	F	93.9	Very high	90.7	Very high	29 Å²	29	61.2 Å²	61.2	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-58.1	-30.6	179.4	179.2	-101.4	0	0	0	114	L605 E609 L612 I613 D660 F661 E662	L605-F658 HydrophobicContact CD2-CB 3.86Å; L605-F658 HydrophobicContact CD2-CD2 4.47Å; E609-F658 HydrophobicContact CB-CB 4.29Å; E609-F658 HydrophobicContact CB-CD2 3.88Å; E609-F658 HydrophobicContact CB-CG 4.3Å; E609-F658 HydrophobicContact CG-CB 4.24Å; E609-F658 HydrophobicContact CG-CD2 4.38Å; E609-F658 HydrophobicContact CG-CG 4.36Å; E609-F658 WeakPolarHBondContact OE1-CB 2.77Å; L612-F658 HydrophobicContact CB-CE2 4.03Å; L612-F658 HydrophobicContact CB-CZ 4.3Å; L612-F658 HydrophobicContact CD2-CE1 4.04Å; L612-F658 HydrophobicContact CD2-CE2 3.92Å; L612-F658 HydrophobicContact CD2-CZ 3.36Å; L612-F658 HydrophobicContact CG-CE2 3.91Å; L612-F658 HydrophobicContact CG-CZ 3.68Å; I613-F658 HydrophobicContact CD1-CD2 4.18Å; I613-F658 HydrophobicContact CG1-CD2 3.98Å; I613-F658 HydrophobicContact CG1-CE2 3.9Å; F658-D660 PolarHBondContact O-N 3.33Å; F658-F661 WeakPolarHBondContact O-CB 3.41Å; F658-F661 PolarHBondContact O-N 3.49Å; F658-F661 VanDerWaalsContact O-N 3.09Å; F658-E662 HydrophobicContact CD1-CG 3.87Å; F658-E662 HydrophobicContact CE1-CG 3.43Å; F658-E662 VanDerWaalsContact CE1-CG 3.43Å; F658-E662 HydrophobicContact CZ-CG 3.91Å; F658-E662 PolarHBondContact O-N 3.41Å
659	L	94	Very high	91.2	Very high	115 Å²	115	67.1 Å²	67.1	60%	0.602	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-29.8	175.3	-174.7	64.3	0	0	0	113.1	A657 E662 S663	A657-L659 PolarHBondContact O-N 3.18Å; A657-L659 VanDerWaalsContact O-N 3.17Å; L659-E662 PolarHBondContact O-N 3.05Å; L659-S663 PolarHBondContact O-N 3.01Å; L659-S663 PolarHBondContact O-OG 3.09Å
660	D	95	Very high	91.9	Very high	8 Å²	8	65 Å²	65	4%	0.043	34%	0.338	C	S	.	.	H	α-helix	trans	-70	-39.4	174.7	-59.8	-58.4	0	0	0	110.6	A632 G635 R654 I656 A657 F658 S663 A664	A632-D660 HydrophobicContact CB-CB 4.13Å; A632-D660 WeakPolarHBondContact O-CB 3.44Å; G635-D660 VanDerWaalsContact CA-OD1 3.29Å; G635-D660 WeakPolarHBondContact CA-OD1 3.41Å; R654-D660 IonicContact CZ-OD1 3.64Å; R654-D660 IonicContact CZ-OD2 3.86Å; R654-D660 IonicContact NH1-OD1 3.6Å; R654-D660 PolarHBondContact NH1-OD1 3.34Å; R654-D660 IonicContact NH1-OD2 3.73Å; R654-D660 PolarHBondContact NH1-OD2 3.34Å; R654-D660 IonicContact NH2-OD1 3.63Å; R654-D660 PolarHBondContact NH2-OD1 3.47Å; R654-D660 IonicContact NH2-OD2 2.75Å; I656-D660 HydrophobicContact CG2-CB 4.22Å; A657-D660 PolarHBondContact N-OD2 3.14Å; A657-D660 WeakPolarHBondContact O-CB 3.31Å; A657-D660 PolarHBondContact O-N 3.11Å; F658-D660 PolarHBondContact O-N 3.33Å; D660-S663 WeakPolarHBondContact O-CB 3.31Å; D660-S663 PolarHBondContact O-N 3.28Å; D660-A664 WeakPolarHBondContact O-CB 3.24Å; D660-A664 PolarHBondContact O-N 3.28Å
661	F	95.5	Very high	92.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.7	-40.1	172.4	-78.7	-92.5	0	0	0	112.4	M598 L605 I613 L628 A632 I656 F658 S663 A664 F665	M598-F661 HydrophobicContact CE-CZ 4.4Å; M598-F661 HydrophobicContact CG-CZ 4.35Å; M598-F661 HydrophobicContact SD-CE2 3.94Å; M598-F661 HydrophobicContact SD-CZ 3.73Å; L605-F661 HydrophobicContact CD1-CD2 4.18Å; L605-F661 HydrophobicContact CD1-CE2 3.7Å; L605-F661 HydrophobicContact CD1-CZ 4.24Å; L605-F661 HydrophobicContact CD2-CD2 4.49Å; I613-F661 HydrophobicContact CD1-CB 3.98Å; I613-F661 HydrophobicContact CD1-CD1 3.71Å; I613-F661 HydrophobicContact CD1-CD2 3.83Å; I613-F661 HydrophobicContact CD1-CE1 4.11Å; I613-F661 HydrophobicContact CD1-CE2 4.24Å; I613-F661 HydrophobicContact CD1-CG 3.55Å; I613-F661 HydrophobicContact CD1-CZ 4.36Å; I613-F661 HydrophobicContact CG1-CB 4.04Å; I613-F661 HydrophobicContact CG1-CD1 4.07Å; I613-F661 HydrophobicContact CG1-CG 4.05Å; I613-F661 HydrophobicContact CG2-CD1 4.04Å; I613-F661 HydrophobicContact CG2-CE1 4.37Å; L628-F661 HydrophobicContact CD2-CD1 4.16Å; L628-F661 HydrophobicContact CD2-CE1 4.46Å; L628-F661 HydrophobicContact CG-CD1 4.07Å; L628-F661 HydrophobicContact CG-CE1 4.34Å; A632-F661 HydrophobicContact CB-CD1 4Å; A632-F661 HydrophobicContact CB-CD2 3.63Å; A632-F661 HydrophobicContact CB-CE1 3.97Å; A632-F661 HydrophobicContact CB-CE2 3.57Å; A632-F661 HydrophobicContact CB-CG 3.84Å; A632-F661 HydrophobicContact CB-CZ 3.76Å; I656-F661 HydrophobicContact CG2-CD2 4.39Å; I656-F661 HydrophobicContact CG2-CE2 3.88Å; F658-F661 WeakPolarHBondContact O-CB 3.41Å; F658-F661 PolarHBondContact O-N 3.49Å; F658-F661 VanDerWaalsContact O-N 3.09Å; F661-S663 PolarHBondContact O-N 3.4Å; F661-A664 PolarHBondContact O-N 3.5Å; F661-F665 WeakPolarHBondContact O-CD2 3.39Å; F661-F665 PolarHBondContact O-N 3.43Å
662	E	94.7	Very high	93	Very high	70 Å²	70	57.3 Å²	57.3	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-30.7	172.4	-68.2	-141.9	123.7	0	0	113.2	K616 F658 L659 K666	K616-E662 IonicContact NZ-OE1 2.75Å; K616-E662 PolarHBondContact NZ-OE1 3.38Å; F658-E662 HydrophobicContact CD1-CG 3.87Å; F658-E662 HydrophobicContact CE1-CG 3.43Å; F658-E662 VanDerWaalsContact CE1-CG 3.43Å; F658-E662 HydrophobicContact CZ-CG 3.91Å; F658-E662 PolarHBondContact O-N 3.41Å; L659-E662 PolarHBondContact O-N 3.05Å; E662-K666 VanDerWaalsContact O-CE 3.28Å; E662-K666 WeakPolarHBondContact O-CE 3.3Å
663	S	94.4	Very high	93.5	Very high	53 Å²	53	53.9 Å²	53.9	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-76.3	-43.6	173.9	-58.4	0	0	0	0	110.9	L659 D660 F661 F665 K666	L659-S663 PolarHBondContact O-N 3.01Å; L659-S663 PolarHBondContact O-OG 3.09Å; D660-S663 WeakPolarHBondContact O-CB 3.31Å; D660-S663 PolarHBondContact O-N 3.28Å; F661-S663 PolarHBondContact O-N 3.4Å; S663-F665 VanDerWaalsContact C-N 3.33Å; S663-F665 PolarHBondContact O-N 2.94Å; S663-K666 WeakPolarHBondContact O-CB 3.38Å; S663-K666 PolarHBondContact O-N 3.37Å
664	A	96.3	Very high	93.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-36.2	176.1	0	0	0	0	0	113.1	L628 E631 A632 D660 F661 K666 T667 V668	L628-A664 HydrophobicContact CD1-CB 3.7Å; L628-A664 HydrophobicContact CG-CB 4.48Å; E631-A664 HydrophobicContact CB-CB 3.81Å; E631-A664 HydrophobicContact CG-CB 3.49Å; E631-A664 VanDerWaalsContact CG-CB 3.49Å; A632-A664 HydrophobicContact CB-CB 4.28Å; D660-A664 WeakPolarHBondContact O-CB 3.24Å; D660-A664 PolarHBondContact O-N 3.28Å; F661-A664 PolarHBondContact O-N 3.5Å; A664-K666 PolarHBondContact O-N 2.98Å; A664-K666 VanDerWaalsContact O-N 3.16Å; A664-T667 PolarHBondContact O-N 3.31Å; A664-T667 VanDerWaalsContact O-N 3.16Å; A664-V668 PolarHBondContact O-N 2.92Å
665	F	95.8	Very high	93.8	Very high	26 Å²	26	59.6 Å²	59.6	11%	0.114	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-10.7	172.4	-81.1	-59.4	0	0	0	114.2	I613 K616 F620 L628 F661 S663 R669	I613-F665 HydrophobicContact CG1-CE2 4.44Å; I613-F665 HydrophobicContact CG2-CE2 4.25Å; I613-F665 HydrophobicContact CG2-CZ 4.05Å; K616-F665 HydrophobicContact CB-CD2 4.25Å; K616-F665 HydrophobicContact CB-CE1 3.97Å; K616-F665 HydrophobicContact CB-CE2 3.69Å; K616-F665 HydrophobicContact CB-CZ 3.53Å; K616-F665 HydrophobicContact CD-CD2 4.06Å; K616-F665 HydrophobicContact CD-CE2 3.98Å; K616-F665 HydrophobicContact CG-CE2 4.5Å; F620-F665 HydrophobicContact CE1-CE1 4.37Å; F620-F665 HydrophobicContact CE2-CD1 4.36Å; F620-F665 HydrophobicContact CE2-CE1 4.12Å; F620-F665 AromaticContact CZ-CD1 3.87Å; F620-F665 HydrophobicContact CZ-CD1 3.87Å; F620-F665 AromaticContact CZ-CE1 3.84Å; F620-F665 HydrophobicContact CZ-CE1 3.84Å; L628-F665 HydrophobicContact CD1-CD1 3.74Å; L628-F665 HydrophobicContact CD1-CD2 4.36Å; L628-F665 HydrophobicContact CD1-CE1 3.89Å; L628-F665 HydrophobicContact CD1-CE2 4.49Å; L628-F665 HydrophobicContact CD1-CG 3.98Å; L628-F665 HydrophobicContact CD1-CZ 4.27Å; L628-F665 HydrophobicContact CD2-CD1 4.34Å; L628-F665 HydrophobicContact CD2-CE1 3.62Å; L628-F665 HydrophobicContact CD2-CE2 4.22Å; L628-F665 HydrophobicContact CD2-CZ 3.55Å; L628-F665 HydrophobicContact CG-CE1 4.44Å; F661-F665 WeakPolarHBondContact O-CD2 3.39Å; F661-F665 PolarHBondContact O-N 3.43Å; S663-F665 VanDerWaalsContact C-N 3.33Å; S663-F665 PolarHBondContact O-N 2.94Å; F665-R669 PolarHBondContact O-NH1 3.13Å
666	K	94.7	Very high	93.7	Very high	140 Å²	140	60 Å²	60	61%	0.609	32%	0.321	S	S	*	.	H	α-helix	trans	-86.7	-38.1	172	-61.1	162.6	-168.8	160.6	0	110.8	E662 S663 A664	E662-K666 VanDerWaalsContact O-CE 3.28Å; E662-K666 WeakPolarHBondContact O-CE 3.3Å; S663-K666 WeakPolarHBondContact O-CB 3.38Å; S663-K666 PolarHBondContact O-N 3.37Å; A664-K666 PolarHBondContact O-N 2.98Å; A664-K666 VanDerWaalsContact O-N 3.16Å
667	T	94	Very high	93.7	Very high	86 Å²	86	61.3 Å²	61.3	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-76.2	-48.3	176.1	-42.6	0	0	0	0	112.6	E631 A664	E631-T667 VanDerWaalsContact OE1-CB 3.22Å; E631-T667 WeakPolarHBondContact OE1-CB 3.43Å; E631-T667 WeakPolarHBondContact OE1-CG2 3.5Å; E631-T667 PolarHBondContact OE1-OG1 2.96Å; A664-T667 PolarHBondContact O-N 3.31Å; A664-T667 VanDerWaalsContact O-N 3.16Å
668	V	95.5	Very high	93.7	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.024	34%	0.343	C	S	.	.			trans	-86.8	138.2	-172.1	-173.3	0	0	0	0	110.7	F620 Q627 L628 E631 A664	F620-V668 HydrophobicContact CD2-CG1 4.5Å; F620-V668 HydrophobicContact CE2-CB 4.38Å; F620-V668 HydrophobicContact CE2-CG1 3.74Å; F620-V668 HydrophobicContact CZ-CG1 4.41Å; Q627-V668 HydrophobicContact CG-CG2 4.07Å; L628-V668 HydrophobicContact CD1-CB 4.33Å; E631-V668 HydrophobicContact CB-CG2 4.16Å; E631-V668 HydrophobicContact CG-CG2 4.22Å; A664-V668 PolarHBondContact O-N 2.92Å
669	R	93.4	Very high	93.7	Very high	165 Å²	165	68 Å²	68	62%	0.623	36%	0.357	S	S	*	.			trans	-129.1	152.7	176.7	-65.7	-68	179.9	-118.6	5	109.3	F665 S671	F665-R669 PolarHBondContact O-NH1 3.13Å; R669-S671 PolarHBondContact O-N 3.42Å
670	P	94.1	Very high	93.8	Very high	60 Å²	60	63.4 Å²	63.4	39%	0.39	33%	0.332	S	S	.	.			trans	-54.9	136.8	170.8	-22.8	32.6	0	0	0	111.3	F620 D624	F620-P670 HydrophobicContact CD1-CG 3.88Å; F620-P670 HydrophobicContact CE1-CG 3.76Å; D624-P670 WeakPolarHBondContact OD2-CA 3.41Å
671	S	91.1	Very high	93.7	Very high	69 Å²	69	67.4 Å²	67.4	48%	0.483	35%	0.35	S	S	.	.	S	Bend	trans	-87.2	-3.9	-179.7	57	0	0	0	0	114.7	D624 R669	D624-S671 VanDerWaalsContact CG-OG 3.29Å; D624-S671 WeakPolarHBondContact OD1-CB 3.35Å; D624-S671 PolarHBondContact OD1-OG 2.94Å; D624-S671 PolarHBondContact OD2-N 3.33Å; D624-S671 PolarHBondContact OD2-OG 2.67Å; R669-S671 PolarHBondContact O-N 3.42Å
672	V	92.6	Very high	93.7	Very high	23 Å²	23	71.3 Å²	71.3	14%	0.139	37%	0.374	C	S	.	.	S	Bend	trans	-130.4	140	-171.4	-176.1	0	0	0	0	110.2	P459 P460 L584 D676 L677	P459-V672 HydrophobicContact CB-CG1 4.03Å; P459-V672 HydrophobicContact CB-CG2 3.74Å; P460-V672 HydrophobicContact CG-CG2 4.2Å; L584-V672 HydrophobicContact CD2-CG2 4.3Å; V672-D676 HydrophobicContact CG1-CB 4.15Å; V672-L677 HydrophobicContact CG1-CD2 3.83Å; V672-L677 HydrophobicContact CG1-CG 4.28Å
673	S	92.1	Very high	93.7	Very high	55 Å²	55	68.7 Å²	68.7	39%	0.385	36%	0.361	S	S	.	.			trans	-95.3	154.1	175.8	88.5	0	0	0	0	112.1	K675 D676 L677	S673-K675 PolarHBondContact O-N 3Å; S673-D676 WeakPolarHBondContact CA-OD2 3.48Å; S673-D676 VanDerWaalsContact CB-OD2 3.25Å; S673-D676 WeakPolarHBondContact CB-OD2 3.5Å; S673-D676 PolarHBondContact N-OD2 3.41Å; S673-D676 VanDerWaalsContact N-OD2 3.07Å; S673-D676 WeakPolarHBondContact O-CB 3.27Å; S673-D676 PolarHBondContact O-N 2.93Å; S673-D676 VanDerWaalsContact OG-CG 3.31Å; S673-D676 PolarHBondContact OG-OD2 3.05Å; S673-L677 PolarHBondContact O-N 3.08Å
674	S	90.9	Very high	93.7	Very high	89 Å²	89	66.7 Å²	66.7	62%	0.622	35%	0.346	S	S	*	.	H	α-helix	trans	-57.9	-31.8	178.7	-44.6	0	0	0	0	113.3	D676 L677 E678	S674-D676 VanDerWaalsContact C-N 3.28Å; S674-D676 PolarHBondContact O-N 3.46Å; S674-L677 WeakPolarHBondContact O-CB 3.4Å; S674-L677 PolarHBondContact O-N 3.47Å; S674-L677 VanDerWaalsContact O-N 3.16Å; S674-E678 PolarHBondContact O-N 2.93Å; S674-E678 VanDerWaalsContact O-N 3.17Å
675	K	91.4	Very high	93.6	Very high	163 Å²	163	73.8 Å²	73.8	71%	0.709	38%	0.379	S	S	*	.	H	α-helix	trans	-66.7	-30.6	178.3	-62.7	-176.4	178.3	-176.6	0	112.6	S673 L677 L679	S673-K675 PolarHBondContact O-N 3Å; K675-L677 VanDerWaalsContact C-N 3.33Å; K675-L679 PolarHBondContact O-N 3.27Å
676	D	91.8	Very high	93.4	Very high	68 Å²	68	76.8 Å²	76.8	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-72.7	-32.3	176.1	-51	-58.5	0	0	0	110.6	V672 S673 S674 L679 Y680	V672-D676 HydrophobicContact CG1-CB 4.15Å; S673-D676 WeakPolarHBondContact CA-OD2 3.48Å; S673-D676 VanDerWaalsContact CB-OD2 3.25Å; S673-D676 WeakPolarHBondContact CB-OD2 3.5Å; S673-D676 PolarHBondContact N-OD2 3.41Å; S673-D676 VanDerWaalsContact N-OD2 3.07Å; S673-D676 WeakPolarHBondContact O-CB 3.27Å; S673-D676 PolarHBondContact O-N 2.93Å; S673-D676 VanDerWaalsContact OG-CG 3.31Å; S673-D676 PolarHBondContact OG-OD2 3.05Å; S674-D676 VanDerWaalsContact C-N 3.28Å; S674-D676 PolarHBondContact O-N 3.46Å; D676-L679 WeakPolarHBondContact O-CB 3.44Å; D676-L679 PolarHBondContact O-N 3.46Å; D676-Y680 HydrophobicContact CB-CE2 4.23Å; D676-Y680 WeakPolarHBondContact O-CD2 3.31Å; D676-Y680 WeakPolarHBondContact O-CE2 3.32Å; D676-Y680 PolarHBondContact O-N 3.21Å; D676-Y680 VanDerWaalsContact O-N 3.15Å
677	L	93.4	Very high	93.4	Very high	36 Å²	36	73.9 Å²	73.9	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-46.3	175.4	-55.6	178.6	0	0	0	111.6	P459 L584 V672 S673 S674 K675 L679 Y680 E681	P459-L677 HydrophobicContact CG-CD2 4.02Å; L584-L677 HydrophobicContact CD1-CD1 3.8Å; L584-L677 HydrophobicContact CD1-CD2 3.82Å; L584-L677 HydrophobicContact CD1-CG 4.42Å; L584-L677 HydrophobicContact CG-CD2 4.02Å; V672-L677 HydrophobicContact CG1-CD2 3.83Å; V672-L677 HydrophobicContact CG1-CG 4.28Å; S673-L677 PolarHBondContact O-N 3.08Å; S674-L677 WeakPolarHBondContact O-CB 3.4Å; S674-L677 PolarHBondContact O-N 3.47Å; S674-L677 VanDerWaalsContact O-N 3.16Å; K675-L677 VanDerWaalsContact C-N 3.33Å; L677-L679 PolarHBondContact O-N 3.26Å; L677-Y680 HydrophobicContact CD2-CD2 4.47Å; L677-Y680 PolarHBondContact O-N 3.39Å; L677-Y680 VanDerWaalsContact O-N 3.09Å; L677-E681 WeakPolarHBondContact O-CG 3.46Å; L677-E681 PolarHBondContact O-N 3.05Å
678	E	93.8	Very high	93.1	Very high	119 Å²	119	70.9 Å²	70.9	56%	0.556	37%	0.374	S	S	*	.	H	α-helix	trans	-53.7	-38.9	173.7	-68.5	167	-158.8	0	0	111.9	S674 T682	S674-E678 PolarHBondContact O-N 2.93Å; S674-E678 VanDerWaalsContact O-N 3.17Å; E678-T682 VanDerWaalsContact O-CB 3.31Å; E678-T682 WeakPolarHBondContact O-CB 3.32Å; E678-T682 PolarHBondContact O-N 2.87Å; E678-T682 PolarHBondContact O-OG1 3.45Å
679	L	93.8	Very high	92.5	Very high	78 Å²	78	72.9 Å²	72.9	41%	0.408	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-46.4	176	-178.1	67	0	0	0	112.2	K675 D676 L677 W683	K675-L679 PolarHBondContact O-N 3.27Å; D676-L679 WeakPolarHBondContact O-CB 3.44Å; D676-L679 PolarHBondContact O-N 3.46Å; L677-L679 PolarHBondContact O-N 3.26Å; L679-W683 WeakPolarHBondContact O-CB 3.42Å; L679-W683 PolarHBondContact O-N 3.29Å
680	Y	94.9	Very high	91.1	Very high	19 Å²	19	67.6 Å²	67.6	8%	0.075	38%	0.384	C	S	.	.	H	α-helix	trans	-65.4	-39	177.6	-62.9	-61	0	0	0	112.3	P459 N563 P565 Y581 D676 L677 W683 N684	P459-Y680 HydrophobicContact CB-CE2 3.93Å; P459-Y680 HydrophobicContact CG-CD2 4.34Å; P459-Y680 HydrophobicContact CG-CE2 4.17Å; N563-Y680 WeakPolarHBondContact O-CE1 3.2Å; N563-Y680 PolarHBondContact O-OH 3.06Å; P565-Y680 HydrophobicContact CG-CD1 4.25Å; Y581-Y680 HydrophobicContact CE2-CG 4.14Å; D676-Y680 HydrophobicContact CB-CE2 4.23Å; D676-Y680 WeakPolarHBondContact O-CD2 3.31Å; D676-Y680 WeakPolarHBondContact O-CE2 3.32Å; D676-Y680 PolarHBondContact O-N 3.21Å; D676-Y680 VanDerWaalsContact O-N 3.15Å; L677-Y680 HydrophobicContact CD2-CD2 4.47Å; L677-Y680 PolarHBondContact O-N 3.39Å; L677-Y680 VanDerWaalsContact O-N 3.09Å; Y680-W683 PolarHBondContact O-N 3.3Å; Y680-N684 WeakPolarHBondContact O-CB 3.39Å; Y680-N684 PolarHBondContact O-N 3.15Å
681	E	93.8	Very high	89.6	Confident	92 Å²	92	75.5 Å²	75.5	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-67	-46.1	178.6	-73.3	173.4	-159.7	0	0	111.5	Y581 L677 W683 N684 Q685	Y581-E681 HydrophobicContact CE1-CG 4.04Å; L677-E681 WeakPolarHBondContact O-CG 3.46Å; L677-E681 PolarHBondContact O-N 3.05Å; E681-W683 VanDerWaalsContact C-N 3.28Å; E681-W683 PolarHBondContact O-N 2.96Å; E681-N684 PolarHBondContact O-N 2.87Å; E681-N684 VanDerWaalsContact O-N 3.15Å; E681-Q685 WeakPolarHBondContact O-CG 3.41Å; E681-Q685 PolarHBondContact O-N 3.01Å
682	T	94.6	Very high	89.5	Confident	82 Å²	82	75.8 Å²	75.8	50%	0.503	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-40.6	173.9	-56.6	0	0	0	0	111.3	E678 T686	E678-T682 VanDerWaalsContact O-CB 3.31Å; E678-T682 WeakPolarHBondContact O-CB 3.32Å; E678-T682 PolarHBondContact O-N 2.87Å; E678-T682 PolarHBondContact O-OG1 3.45Å; T682-T686 WeakPolarHBondContact O-CB 3.3Å; T682-T686 PolarHBondContact O-N 3.47Å; T682-T686 VanDerWaalsContact O-N 3.16Å; T682-T686 PolarHBondContact O-OG1 2.87Å
683	W	94.7	Very high	89.4	Confident	15 Å²	15	78.6 Å²	78.6	6%	0.057	42%	0.416	C	S	.	.	H	α-helix	trans	-69	-39.1	176.4	-162.1	103.9	0	0	0	112.1	L455 F457 P565 R579 L679 Y680 E681 T686 F687	L455-W683 HydrophobicContact CD2-CH2 4.08Å; F457-W683 HydrophobicContact CD1-CE3 4.29Å; F457-W683 AromaticContact CD1-CZ3 3.8Å; F457-W683 HydrophobicContact CD1-CZ3 3.8Å; F457-W683 HydrophobicContact CD2-CE3 4.09Å; F457-W683 HydrophobicContact CD2-CZ3 4.4Å; F457-W683 AromaticContact CE1-CE3 3.9Å; F457-W683 HydrophobicContact CE1-CE3 3.9Å; F457-W683 AromaticContact CE1-CZ3 3.53Å; F457-W683 HydrophobicContact CE1-CZ3 3.53Å; F457-W683 AromaticContact CE2-CE3 3.67Å; F457-W683 HydrophobicContact CE2-CE3 3.67Å; F457-W683 HydrophobicContact CE2-CZ3 4.16Å; F457-W683 HydrophobicContact CG-CE3 4.37Å; F457-W683 HydrophobicContact CG-CZ3 4.23Å; F457-W683 AromaticContact CZ-CE3 3.56Å; F457-W683 HydrophobicContact CZ-CE3 3.56Å; F457-W683 AromaticContact CZ-CZ3 3.72Å; F457-W683 HydrophobicContact CZ-CZ3 3.72Å; P565-W683 VanDerWaalsContact C-NE1 3.33Å; P565-W683 HydrophobicContact CB-CD2 3.79Å; P565-W683 HydrophobicContact CB-CE3 4.07Å; P565-W683 HydrophobicContact CB-CG 4.35Å; P565-W683 HydrophobicContact CB-CH2 4.01Å; P565-W683 HydrophobicContact CB-CZ2 3.7Å; P565-W683 HydrophobicContact CB-CZ3 4.19Å; P565-W683 HydrophobicContact CG-CD2 3.98Å; P565-W683 HydrophobicContact CG-CE3 4.35Å; P565-W683 HydrophobicContact CG-CG 4.09Å; P565-W683 WeakPolarHBondContact O-CZ2 3.38Å; P565-W683 PolarHBondContact O-NE1 2.96Å; P565-W683 VanDerWaalsContact O-NE1 3.13Å; R579-W683 HydrophobicContact CB-CH2 4.24Å; R579-W683 HydrophobicContact CB-CZ3 4.05Å; R579-W683 HydrophobicContact CG-CH2 4.15Å; R579-W683 HydrophobicContact CG-CZ3 4.44Å; L679-W683 WeakPolarHBondContact O-CB 3.42Å; L679-W683 PolarHBondContact O-N 3.29Å; Y680-W683 PolarHBondContact O-N 3.3Å; E681-W683 VanDerWaalsContact C-N 3.28Å; E681-W683 PolarHBondContact O-N 2.96Å; W683-T686 PolarHBondContact O-N 3.44Å; W683-F687 AromaticContact CD1-CD2 3.93Å; W683-F687 HydrophobicContact CD2-CB 4.1Å; W683-F687 AromaticContact CD2-CD2 3.94Å; W683-F687 HydrophobicContact CD2-CD2 3.94Å; W683-F687 AromaticContact CE2-CD2 3.65Å; W683-F687 HydrophobicContact CE3-CB 4Å; W683-F687 HydrophobicContact CG-CD2 4.11Å; W683-F687 HydrophobicContact CH2-CB 3.79Å; W683-F687 HydrophobicContact CZ2-CB 3.89Å; W683-F687 HydrophobicContact CZ2-CD2 4.17Å; W683-F687 HydrophobicContact CZ2-CG 4.3Å; W683-F687 HydrophobicContact CZ3-CB 3.83Å; W683-F687 AromaticContact NE1-CD2 3.66Å; W683-F687 PolarHBondContact O-N 3.27Å
684	N	95	Very high	89.2	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.053	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.7	-171.8	28.9	0	0	0	112.1	F457 Y581 Y680 E681 T686 G688 C689 R691	F457-N684 HydrophobicContact CE2-CB 4.03Å; F457-N684 HydrophobicContact CZ-CB 3.75Å; Y581-N684 HydrophobicContact CD1-CB 4.42Å; Y581-N684 HydrophobicContact CG-CB 4.38Å; Y680-N684 WeakPolarHBondContact O-CB 3.39Å; Y680-N684 PolarHBondContact O-N 3.15Å; E681-N684 PolarHBondContact O-N 2.87Å; E681-N684 VanDerWaalsContact O-N 3.15Å; N684-T686 VanDerWaalsContact C-N 3.3Å; N684-T686 PolarHBondContact O-N 3.48Å; N684-G688 VanDerWaalsContact O-CA 3.25Å; N684-G688 WeakPolarHBondContact O-CA 3.18Å; N684-G688 PolarHBondContact O-N 3.02Å; N684-G688 WeakPolarHBondContact OD1-CA 3.17Å; N684-C689 PolarHBondContact OD1-N 2.73Å; N684-R691 PolarHBondContact ND2-O 3.06Å
685	Q	93.9	Very high	89.1	Confident	151 Å²	151	79.4 Å²	79.4	71%	0.706	41%	0.406	S	S	*	.	H	α-helix	trans	-62.8	-36.1	174.1	-68.6	172.7	27.4	0	0	112.3	E681	E681-Q685 WeakPolarHBondContact O-CG 3.41Å; E681-Q685 PolarHBondContact O-N 3.01Å
686	T	93.1	Very high	89	Confident	88 Å²	88	74.1 Å²	74.1	54%	0.54	39%	0.387	S	S	.	.	H	α-helix	trans	-85.7	-37.5	-175.1	-49.9	0	0	0	0	113.6	T682 W683 N684	T682-T686 WeakPolarHBondContact O-CB 3.3Å; T682-T686 PolarHBondContact O-N 3.47Å; T682-T686 VanDerWaalsContact O-N 3.16Å; T682-T686 PolarHBondContact O-OG1 2.87Å; W683-T686 PolarHBondContact O-N 3.44Å; N684-T686 VanDerWaalsContact C-N 3.3Å; N684-T686 PolarHBondContact O-N 3.48Å
687	F	92.8	Very high	88.8	Confident	79 Å²	79	74.5 Å²	74.5	35%	0.346	39%	0.389	S	S	.	.	H	α-helix	trans	-133.7	-13.6	-169.9	-58.4	-64.9	0	0	0	115	R573 R579 W683	R573-F687 VanDerWaalsContact NH1-CE1 3.31Å; R573-F687 VanDerWaalsContact NH1-CZ 3.32Å; R579-F687 WeakPolarHBondContact CD-O 3.32Å; R579-F687 PolarHBondContact NH1-O 2.72Å; W683-F687 AromaticContact CD1-CD2 3.93Å; W683-F687 HydrophobicContact CD2-CB 4.1Å; W683-F687 AromaticContact CD2-CD2 3.94Å; W683-F687 HydrophobicContact CD2-CD2 3.94Å; W683-F687 AromaticContact CE2-CD2 3.65Å; W683-F687 HydrophobicContact CE3-CB 4Å; W683-F687 HydrophobicContact CG-CD2 4.11Å; W683-F687 HydrophobicContact CH2-CB 3.79Å; W683-F687 HydrophobicContact CZ2-CB 3.89Å; W683-F687 HydrophobicContact CZ2-CD2 4.17Å; W683-F687 HydrophobicContact CZ2-CG 4.3Å; W683-F687 HydrophobicContact CZ3-CB 3.83Å; W683-F687 AromaticContact NE1-CD2 3.66Å; W683-F687 PolarHBondContact O-N 3.27Å
688	G	88.8	Confident	88.5	Confident	24 Å²	24	77.3 Å²	77.3	25%	0.247	40%	0.403	C	S	.	.	S	Bend	trans	-84.3	-150.1	-175.8	0	0	0	0	0	114	N684	N684-G688 VanDerWaalsContact O-CA 3.25Å; N684-G688 WeakPolarHBondContact O-CA 3.18Å; N684-G688 PolarHBondContact O-N 3.02Å; N684-G688 WeakPolarHBondContact OD1-CA 3.17Å
689	C	83.1	Confident	88.1	Confident	45 Å²	45	74.1 Å²	74.1	30%	0.304	39%	0.391	S	S	.	.			trans	-99.2	6.6	177.1	-67.9	0	0	0	0	113.5	F425 R579 L580 N684 R691	F425-C689 HydrophobicContact CE1-CB 4.22Å; F425-C689 HydrophobicContact CZ-CB 4.2Å; R579-C689 PolarHBondContact O-N 3.24Å; R579-C689 PolarHBondContact O-SG 3.29Å; L580-C689 HydrophobicContact CD2-CB 4.3Å; N684-C689 PolarHBondContact OD1-N 2.73Å; C689-R691 VanDerWaalsContact C-N 3.31Å; C689-R691 PolarHBondContact O-N 3.47Å
690	G	64.1	Low	87.6	Confident	55 Å²	55	73.8 Å²	73.8	57%	0.567	39%	0.39	S	S	*	.			trans	72.4	17.2	170	0	0	0	0	0	115.9
691	R	62.4	Low	86.9	Confident	225 Å²	225	78.7 Å²	78.7	85%	0.849	42%	0.418	S	S	*	.			trans	-145.4	0	169.6	-67.8	-172.2	178.7	-168.7	-1.3	109	F425 N684 C689	F425-R691 HydrophobicContact CD1-CB 3.91Å; F425-R691 HydrophobicContact CE1-CB 3.69Å; F425-R691 HydrophobicContact CE2-CB 4.41Å; F425-R691 HydrophobicContact CG-CB 4.37Å; F425-R691 HydrophobicContact CZ-CB 3.96Å; N684-R691 PolarHBondContact ND2-O 3.06Å; C689-R691 VanDerWaalsContact C-N 3.31Å; C689-R691 PolarHBondContact O-N 3.47Å

Retrieved 691 of 691 residues in 727.2 ms (Link to these results)

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