A0A3Q0KDC5_SCHMA Loading...

histidine--tRNA ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	51.9	Low	239 Å²	239	124.3 Å²	124.3	100%	1.177	68%	0.684	S	S	*	*				0	22.2	0	-86.4	-177.5	175.3	0	0	115
2	R	46.4	Very low	53	Low	241 Å²	241	121.5 Å²	121.5	91%	0.909	67%	0.666	S	S	*	*			trans	-130.7	12.1	172.2	-85.3	-172.6	177.6	179.2	-0.4	115
3	T	49	Very low	54.1	Low	130 Å²	130	124 Å²	124	80%	0.798	67%	0.667	S	S	*	*	S	Bend	trans	-114.8	-1.5	-169.3	33.9	0	0	0	0	116.1
4	N	51.8	Low	54.9	Low	130 Å²	130	123.9 Å²	123.9	70%	0.695	66%	0.662	S	S	*	*	S	Bend	trans	-104.9	-3	-178	-97.4	-8.1	0	0	0	116.2
5	I	50.1	Low	56.3	Low	145 Å²	145	119.6 Å²	119.6	74%	0.744	65%	0.646	S	S	*	*	H	α-helix	trans	-78	-29.3	-178.2	-62.3	167	0	0	0	111.3	G9	I5-G9 PolarHBondContact O-N 2.81Å
6	G	50.9	Low	57.5	Low	60 Å²	60	117.5 Å²	117.5	62%	0.619	63%	0.633	S	S	*	*	H	α-helix	trans	-68.8	-36.9	178.6	0	0	0	0	0	113.9	S10	G6-S10 PolarHBondContact O-N 2.66Å; G6-S10 VanDerWaalsContact O-N 3.17Å
7	H	53.7	Low	58.7	Low	148 Å²	148	116.5 Å²	116.5	69%	0.685	63%	0.626	S	S	*	*	H	α-helix	trans	-72.3	-39.5	179.2	-109.8	19.9	0	0	0	112.4	G9 S10 A11	H7-G9 PolarHBondContact O-N 3.38Å; H7-S10 PolarHBondContact O-N 3.26Å; H7-S10 PolarHBondContact O-OG 3.24Å; H7-A11 WeakPolarHBondContact O-CB 3.47Å; H7-A11 PolarHBondContact O-N 3.01Å
8	L	49.6	Very low	59.7	Low	120 Å²	120	116.8 Å²	116.8	63%	0.628	62%	0.623	S	S	*	*	H	α-helix	trans	-63	-41.8	175.1	-128.7	83.9	0	0	0	111.7	S10 A11 I12	L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.4Å; L8-A11 PolarHBondContact O-N 3.4Å; L8-I12 HydrophobicContact CD2-CD1 4.5Å; L8-I12 WeakPolarHBondContact O-CB 3.46Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.6Å
9	G	54.6	Low	60.6	Low	37 Å²	37	115.3 Å²	115.3	38%	0.381	62%	0.618	S	S	.	*	H	α-helix	trans	-62.7	-37.3	175.9	0	0	0	0	0	113.2	I5 H7 K13	I5-G9 PolarHBondContact O-N 2.81Å; H7-G9 PolarHBondContact O-N 3.38Å; G9-K13 WeakPolarHBondContact O-CB 3.49Å; G9-K13 PolarHBondContact O-N 3.48Å
10	S	59.1	Low	61.5	Low	59 Å²	59	115.2 Å²	115.2	41%	0.413	61%	0.614	S	S	.	*	H	α-helix	trans	-71.4	-38.6	175.9	86	0	0	0	0	112.5	G6 H7 L8 K13 M14	G6-S10 PolarHBondContact O-N 2.66Å; G6-S10 VanDerWaalsContact O-N 3.17Å; H7-S10 PolarHBondContact O-N 3.26Å; H7-S10 PolarHBondContact O-OG 3.24Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.4Å; S10-K13 PolarHBondContact O-N 3.14Å; S10-M14 WeakPolarHBondContact O-CB 3.32Å; S10-M14 WeakPolarHBondContact O-CG 3.48Å; S10-M14 PolarHBondContact O-N 2.9Å
11	A	60.3	Low	62.4	Low	58 Å²	58	116.3 Å²	116.3	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-67.8	-40.3	178.3	0	0	0	0	0	111.6	H7 L8 M14 S15	H7-A11 WeakPolarHBondContact O-CB 3.47Å; H7-A11 PolarHBondContact O-N 3.01Å; L8-A11 PolarHBondContact O-N 3.4Å; A11-M14 PolarHBondContact O-N 3.28Å; A11-S15 PolarHBondContact O-N 3.22Å; A11-S15 PolarHBondContact O-OG 2.67Å
12	I	65.3	Low	63.9	Low	91 Å²	91	109.1 Å²	109.1	47%	0.467	58%	0.579	S	S	.	*	H	α-helix	trans	-68.3	-39.6	175	-65.8	166.1	0	0	0	111	L8 S15 I16	L8-I12 HydrophobicContact CD2-CD1 4.5Å; L8-I12 WeakPolarHBondContact O-CB 3.46Å; L8-I12 VanDerWaalsContact O-CG1 3.25Å; L8-I12 WeakPolarHBondContact O-CG1 3.34Å; L8-I12 PolarHBondContact O-N 2.6Å; I12-S15 PolarHBondContact O-N 2.96Å; I12-S15 PolarHBondContact O-OG 2.99Å; I12-I16 HydrophobicContact CG2-CD1 3.81Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CB 3.25Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.43Å; I12-I16 PolarHBondContact O-N 3.43Å
13	K	66.8	Low	65.2	Low	154 Å²	154	101.5 Å²	101.5	67%	0.67	56%	0.56	S	S	*	*	H	α-helix	trans	-64.2	-40.8	173.5	-99.2	-177.8	173.5	-179.8	0	112.3	G9 S10 I16 L17	G9-K13 WeakPolarHBondContact O-CB 3.49Å; G9-K13 PolarHBondContact O-N 3.48Å; S10-K13 PolarHBondContact O-N 3.14Å; K13-I16 PolarHBondContact O-N 3.27Å; K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 PolarHBondContact O-N 3.33Å
14	M	66	Low	66.5	Low	123 Å²	123	100.3 Å²	100.3	61%	0.606	55%	0.545	S	S	*	.	H	α-helix	trans	-63.9	-43.3	176.1	-79.9	-68.5	-73.4	0	0	111.4	S10 A11 L17 Q18	S10-M14 WeakPolarHBondContact O-CB 3.32Å; S10-M14 WeakPolarHBondContact O-CG 3.48Å; S10-M14 PolarHBondContact O-N 2.9Å; A11-M14 PolarHBondContact O-N 3.28Å; M14-L17 PolarHBondContact O-N 3.12Å; M14-Q18 WeakPolarHBondContact O-CB 3.21Å; M14-Q18 PolarHBondContact O-N 3.45Å
15	S	74.7	Confident	67.5	Low	59 Å²	59	100.3 Å²	100.3	41%	0.413	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-39.4	177.8	68.5	0	0	0	0	112.4	A11 I12 Q18 V19	A11-S15 PolarHBondContact O-N 3.22Å; A11-S15 PolarHBondContact O-OG 2.67Å; I12-S15 PolarHBondContact O-N 2.96Å; I12-S15 PolarHBondContact O-OG 2.99Å; S15-Q18 PolarHBondContact O-N 3.27Å; S15-V19 VanDerWaalsContact O-CG2 3.29Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 3.44Å
16	I	76.8	Confident	68.3	Low	86 Å²	86	99.8 Å²	99.8	44%	0.441	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-43.2	174.8	-68.5	167.9	0	0	0	111.1	I12 K13 Q18 V19 Q20	I12-I16 HydrophobicContact CG2-CD1 3.81Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CB 3.25Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.43Å; I12-I16 PolarHBondContact O-N 3.43Å; K13-I16 PolarHBondContact O-N 3.27Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 3.35Å; I16-V19 PolarHBondContact O-N 3.36Å; I16-Q20 HydrophobicContact CG2-CG 4.48Å; I16-Q20 WeakPolarHBondContact O-CB 3.29Å; I16-Q20 WeakPolarHBondContact O-CG 3.2Å; I16-Q20 PolarHBondContact O-N 2.98Å
17	L	77	Confident	69.1	Low	100 Å²	100	100.8 Å²	100.8	52%	0.524	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-35.3	175.8	-107	136.3	0	0	0	112.4	K13 M14 K21	K13-L17 WeakPolarHBondContact O-CB 3.44Å; K13-L17 PolarHBondContact O-N 3.33Å; M14-L17 PolarHBondContact O-N 3.12Å; L17-K21 WeakPolarHBondContact O-CB 3.33Å; L17-K21 PolarHBondContact O-N 2.84Å
18	Q	76.8	Confident	69.5	Low	122 Å²	122	100.8 Å²	100.8	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-71	-42.3	177.3	-137.5	161	-11.6	0	0	111.2	M14 S15 I16 K21 I22	M14-Q18 WeakPolarHBondContact O-CB 3.21Å; M14-Q18 PolarHBondContact O-N 3.45Å; S15-Q18 PolarHBondContact O-N 3.27Å; I16-Q18 VanDerWaalsContact C-N 3.31Å; I16-Q18 PolarHBondContact O-N 3.35Å; Q18-K21 PolarHBondContact O-N 2.92Å; Q18-I22 VanDerWaalsContact O-CG1 3.29Å; Q18-I22 WeakPolarHBondContact O-CG1 3.23Å; Q18-I22 PolarHBondContact O-N 3.31Å
19	V	76	Confident	69.6	Low	88 Å²	88	98.3 Å²	98.3	53%	0.533	53%	0.53	S	S	.	.	H	α-helix	trans	-62.3	-46.9	172.6	172.2	0	0	0	0	110	S15 I16 K21 I22 T23	S15-V19 VanDerWaalsContact O-CG2 3.29Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 3.44Å; I16-V19 PolarHBondContact O-N 3.36Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.1Å; V19-I22 PolarHBondContact O-N 3.41Å; V19-I22 VanDerWaalsContact O-N 3.11Å; V19-T23 PolarHBondContact O-N 2.67Å; V19-T23 PolarHBondContact O-OG1 2.99Å
20	Q	79.6	Confident	69.3	Low	114 Å²	114	101.3 Å²	101.3	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-39	176	-76.3	176.9	-23.2	0	0	112.6	I16 T23 E24	I16-Q20 HydrophobicContact CG2-CG 4.48Å; I16-Q20 WeakPolarHBondContact O-CB 3.29Å; I16-Q20 WeakPolarHBondContact O-CG 3.2Å; I16-Q20 PolarHBondContact O-N 2.98Å; Q20-T23 PolarHBondContact O-N 2.89Å; Q20-E24 WeakPolarHBondContact O-CB 3.48Å; Q20-E24 PolarHBondContact O-N 2.95Å
21	K	80.7	Confident	68.8	Low	139 Å²	139	105.5 Å²	105.5	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-63.8	-41.1	172.8	-102.6	-178.2	175.2	178.2	0	112.5	L17 Q18 V19 E24 Q25	L17-K21 WeakPolarHBondContact O-CB 3.33Å; L17-K21 PolarHBondContact O-N 2.84Å; Q18-K21 PolarHBondContact O-N 2.92Å; V19-K21 VanDerWaalsContact C-N 3.32Å; V19-K21 PolarHBondContact O-N 3.1Å; K21-E24 PolarHBondContact O-N 3.01Å; K21-Q25 VanDerWaalsContact O-CB 3.29Å; K21-Q25 WeakPolarHBondContact O-CB 3.27Å; K21-Q25 VanDerWaalsContact O-CG 3.25Å; K21-Q25 WeakPolarHBondContact O-CG 3.47Å; K21-Q25 PolarHBondContact O-N 2.88Å
22	I	76.3	Confident	68.1	Low	87 Å²	87	111.5 Å²	111.5	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-67.4	-43.2	176.7	-68.3	165.6	0	0	0	109.7	Q18 V19 E24 Q25 M26	Q18-I22 VanDerWaalsContact O-CG1 3.29Å; Q18-I22 WeakPolarHBondContact O-CG1 3.23Å; Q18-I22 PolarHBondContact O-N 3.31Å; V19-I22 PolarHBondContact O-N 3.41Å; V19-I22 VanDerWaalsContact O-N 3.11Å; I22-E24 PolarHBondContact O-N 3.45Å; I22-Q25 CarbonylContact O-C 3.4Å; I22-Q25 PolarHBondContact O-N 3.3Å; I22-Q25 VanDerWaalsContact O-N 3.14Å; I22-M26 HydrophobicContact CG2-CG 4.38Å; I22-M26 HydrophobicContact CG2-SD 4.19Å; I22-M26 WeakPolarHBondContact O-CB 3.28Å; I22-M26 VanDerWaalsContact O-CG 3.3Å; I22-M26 WeakPolarHBondContact O-CG 3.27Å; I22-M26 PolarHBondContact O-N 3.15Å
23	T	73.9	Confident	67.1	Low	82 Å²	82	115.5 Å²	115.5	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-63.9	-40.4	176.5	-44.1	0	0	0	0	111.4	V19 Q20 M26 A27	V19-T23 PolarHBondContact O-N 2.67Å; V19-T23 PolarHBondContact O-OG1 2.99Å; Q20-T23 PolarHBondContact O-N 2.89Å; T23-M26 PolarHBondContact O-N 3.15Å; T23-A27 VanDerWaalsContact O-CB 3.28Å; T23-A27 WeakPolarHBondContact O-CB 3.25Å; T23-A27 PolarHBondContact O-N 3.45Å
24	E	76.8	Confident	65.8	Low	104 Å²	104	112.5 Å²	112.5	49%	0.486	59%	0.591	S	S	.	*	H	α-helix	trans	-66.7	-37.1	171.7	-83.9	-167.6	-160.8	0	0	112.5	Q20 K21 I22 A27 K28	Q20-E24 WeakPolarHBondContact O-CB 3.48Å; Q20-E24 PolarHBondContact O-N 2.95Å; K21-E24 PolarHBondContact O-N 3.01Å; I22-E24 PolarHBondContact O-N 3.45Å; E24-A27 PolarHBondContact O-N 3.44Å; E24-K28 WeakPolarHBondContact O-CB 3.5Å; E24-K28 WeakPolarHBondContact O-CG 3.24Å; E24-K28 PolarHBondContact O-N 3.26Å; E24-K28 IonicContact OE2-NZ 3.86Å; E24-K28 PolarHBondContact OE2-NZ 3.26Å
25	Q	72.8	Confident	65	Low	130 Å²	130	115.6 Å²	115.6	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-68.7	-34.2	174.9	-80.7	177.5	-20.7	0	0	111.7	K21 I22 S29	K21-Q25 VanDerWaalsContact O-CB 3.29Å; K21-Q25 WeakPolarHBondContact O-CB 3.27Å; K21-Q25 VanDerWaalsContact O-CG 3.25Å; K21-Q25 WeakPolarHBondContact O-CG 3.47Å; K21-Q25 PolarHBondContact O-N 2.88Å; I22-Q25 CarbonylContact O-C 3.4Å; I22-Q25 PolarHBondContact O-N 3.3Å; I22-Q25 VanDerWaalsContact O-N 3.14Å; Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.44Å; Q25-S29 PolarHBondContact O-N 3.17Å; Q25-S29 PolarHBondContact O-OG 2.98Å
26	M	67.1	Low	64.3	Low	135 Å²	135	118.6 Å²	118.6	67%	0.665	62%	0.619	S	S	*	*	H	α-helix	trans	-73	-32.7	172.6	-69.1	-175.6	85.8	0	0	112	I22 T23 S29	I22-M26 HydrophobicContact CG2-CG 4.38Å; I22-M26 HydrophobicContact CG2-SD 4.19Å; I22-M26 WeakPolarHBondContact O-CB 3.28Å; I22-M26 VanDerWaalsContact O-CG 3.3Å; I22-M26 WeakPolarHBondContact O-CG 3.27Å; I22-M26 PolarHBondContact O-N 3.15Å; T23-M26 PolarHBondContact O-N 3.15Å; M26-S29 WeakPolarHBondContact CA-OG 3.35Å; M26-S29 PolarHBondContact O-OG 3.36Å
27	A	66.9	Low	63.7	Low	80 Å²	80	123.9 Å²	123.9	66%	0.661	64%	0.639	S	S	*	*	H	α-helix	trans	-76.4	-31.9	173.9	0	0	0	0	0	112.8	T23 E24	T23-A27 VanDerWaalsContact O-CB 3.28Å; T23-A27 WeakPolarHBondContact O-CB 3.25Å; T23-A27 PolarHBondContact O-N 3.45Å; E24-A27 PolarHBondContact O-N 3.44Å
28	K	62.3	Low	63.8	Low	148 Å²	148	128 Å²	128	64%	0.643	65%	0.649	S	S	*	*	H	α-helix	trans	-89.1	-16.4	176.5	-70.6	169.7	-180	162.1	0	112.9	E24 S30	E24-K28 WeakPolarHBondContact O-CB 3.5Å; E24-K28 WeakPolarHBondContact O-CG 3.24Å; E24-K28 PolarHBondContact O-N 3.26Å; E24-K28 IonicContact OE2-NZ 3.86Å; E24-K28 PolarHBondContact OE2-NZ 3.26Å; K28-S30 PolarHBondContact O-N 2.93Å
29	S	52.8	Low	64.2	Low	69 Å²	69	127.9 Å²	127.9	48%	0.483	65%	0.652	S	S	.	*	S	Bend	trans	-71.5	77.2	156.3	67.5	0	0	0	0	106.5	Q25 M26 I31	Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.44Å; Q25-S29 PolarHBondContact O-N 3.17Å; Q25-S29 PolarHBondContact O-OG 2.98Å; M26-S29 WeakPolarHBondContact CA-OG 3.35Å; M26-S29 PolarHBondContact O-OG 3.36Å; S29-I31 PolarHBondContact O-N 3.01Å
30	S	48	Very low	64.9	Low	100 Å²	100	129.5 Å²	129.5	70%	0.699	66%	0.662	S	S	*	*			trans	-50.9	101.4	157.8	-53.8	0	0	0	0	105.2	K28 K32	K28-S30 PolarHBondContact O-N 2.93Å; S30-K32 PolarHBondContact O-N 2.94Å
31	I	48.8	Very low	65.5	Low	147 Å²	147	130.8 Å²	130.8	75%	0.754	67%	0.666	S	S	*	*			trans	-48.8	102	147.1	-62.7	170.4	0	0	0	100.9	S29 Q33	S29-I31 PolarHBondContact O-N 3.01Å; I31-Q33 PolarHBondContact O-N 3.31Å
32	K	45.7	Very low	66	Low	183 Å²	183	126.6 Å²	126.6	80%	0.796	65%	0.652	S	S	*	*			trans	-52.3	100.7	154.6	-84.1	-175.7	175.3	-178.2	0	101.1	S30 C34	S30-K32 PolarHBondContact O-N 2.94Å; K32-C34 PolarHBondContact O-N 2.66Å
33	Q	42.5	Very low	66.8	Low	175 Å²	175	126.7 Å²	126.7	82%	0.818	66%	0.658	S	S	*	*			trans	-55.4	86.2	147.3	-80.3	179.3	-15.7	0	0	101.6	I31 E35	I31-Q33 PolarHBondContact O-N 3.31Å; Q33-E35 PolarHBondContact O-N 2.96Å
34	C	41.3	Very low	67.7	Low	92 Å²	92	128 Å²	128	62%	0.622	66%	0.657	S	S	*	*			trans	-50	111.8	143.4	-77.1	0	0	0	0	101	K32 V36	K32-C34 PolarHBondContact O-N 2.66Å; C34-V36 HydrophobicContact CB-CG2 4.21Å; C34-V36 PolarHBondContact O-N 3.27Å
35	E	47.5	Very low	68.4	Low	187 Å²	187	123.5 Å²	123.5	87%	0.874	64%	0.638	S	S	*	*			trans	-51.8	90.9	150.1	-76.7	-176.5	155.2	0	0	103.4	Q33 K37	Q33-E35 PolarHBondContact O-N 2.96Å; E35-K37 PolarHBondContact O-N 2.93Å
36	V	59.8	Low	69.3	Low	122 Å²	122	118.4 Å²	118.4	74%	0.739	62%	0.616	S	S	*	*			trans	-64.6	96.2	170.7	176.5	0	0	0	0	100.8	C34 Y38	C34-V36 HydrophobicContact CB-CG2 4.21Å; C34-V36 PolarHBondContact O-N 3.27Å; V36-Y38 PolarHBondContact O-N 2.91Å
37	K	64.6	Low	70.3	Confident	197 Å²	197	114.5 Å²	114.5	86%	0.857	59%	0.594	S	S	*	*			trans	-56.8	100.2	177.5	-171.5	176.5	-177.6	180	0	104.8	E35 N39	E35-K37 PolarHBondContact O-N 2.93Å; K37-N39 PolarHBondContact O-N 3.14Å
38	Y	79.4	Confident	71.5	Confident	188 Å²	188	116.9 Å²	116.9	74%	0.737	60%	0.595	S	S	*	*			trans	-65.7	105.7	-175.1	-179.7	-97.7	0	0	0	106.3	V36 V40	V36-Y38 PolarHBondContact O-N 2.91Å; Y38-V40 HydrophobicContact CD1-CG2 3.81Å; Y38-V40 HydrophobicContact CE1-CB 4.45Å; Y38-V40 HydrophobicContact CE1-CG2 3.81Å; Y38-V40 PolarHBondContact O-N 3.07Å
39	N	85.3	Confident	72.8	Confident	119 Å²	119	111.9 Å²	111.9	64%	0.636	57%	0.573	S	S	*	*			trans	-83.7	106.7	176.9	-169.3	5.8	0	0	0	107.4	K37 K41	K37-N39 PolarHBondContact O-N 3.14Å; N39-K41 PolarHBondContact O-N 2.9Å
40	V	90.8	Very high	74.5	Confident	122 Å²	122	112.2 Å²	112.2	74%	0.739	57%	0.569	S	S	*	*			trans	-67.1	101.1	176.8	-174.8	0	0	0	0	107.7	Y38	Y38-V40 HydrophobicContact CD1-CG2 3.81Å; Y38-V40 HydrophobicContact CE1-CB 4.45Å; Y38-V40 HydrophobicContact CE1-CG2 3.81Å; Y38-V40 PolarHBondContact O-N 3.07Å
41	K	91.8	Very high	76.6	Confident	140 Å²	140	111.5 Å²	111.5	61%	0.609	56%	0.562	S	S	*	*			trans	-150.6	149.8	179.5	73.3	-171.3	-162	79.4	0	110.5	N39	N39-K41 PolarHBondContact O-N 2.9Å
42	T	91.8	Very high	78.4	Confident	51 Å²	51	108.4 Å²	108.4	31%	0.313	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-67.5	158.4	168.5	55.2	0	0	0	0	111	T46	T42-T46 PolarHBondContact OG1-O 3.32Å
43	P	93.5	Very high	80.3	Confident	89 Å²	89	101.9 Å²	101.9	58%	0.578	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-51.9	151.6	167.6	-27.1	34.3	0	0	0	112.7	G45 T46	P43-G45 PolarHBondContact O-N 3.17Å; P43-T46 HydrophobicContact CB-CG2 4.07Å; P43-T46 VanDerWaalsContact CD-OG1 3.32Å; P43-T46 WeakPolarHBondContact CD-OG1 3.27Å; P43-T46 PolarHBondContact O-N 3.29Å; P43-T46 VanDerWaalsContact O-N 3.08Å; P43-T46 PolarHBondContact O-OG1 3.41Å; P43-T46 VanDerWaalsContact O-OG1 3.09Å
44	K	92.1	Very high	82.7	Confident	111 Å²	111	96.6 Å²	96.6	48%	0.483	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.5	-178.9	179.2	174	-179.5	172	0	110.2	T46 P145 R153	K44-T46 VanDerWaalsContact C-N 3.33Å; K44-P145 HydrophobicContact CG-CG 4.19Å; K44-R153 WeakPolarHBondContact O-CD 3.37Å
45	G	90.9	Very high	85	Confident	8 Å²	8	94 Å²	94	8%	0.082	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	20.4	179.1	0	0	0	0	0	114	P43 Y152 R153 E154	P43-G45 PolarHBondContact O-N 3.17Å; G45-Y152 WeakPolarHBondContact O-CB 3.37Å; G45-R153 PolarHBondContact O-N 3.42Å; G45-E154 PolarHBondContact O-N 3.18Å
46	T	92.4	Very high	87	Confident	24 Å²	24	86.5 Å²	86.5	15%	0.147	44%	0.441	C	S	.	.			trans	-123.9	153.8	169.5	76.6	0	0	0	0	109.7	T42 P43 K44 E154	T42-T46 PolarHBondContact OG1-O 3.32Å; P43-T46 HydrophobicContact CB-CG2 4.07Å; P43-T46 VanDerWaalsContact CD-OG1 3.32Å; P43-T46 WeakPolarHBondContact CD-OG1 3.27Å; P43-T46 PolarHBondContact O-N 3.29Å; P43-T46 VanDerWaalsContact O-N 3.08Å; P43-T46 PolarHBondContact O-OG1 3.41Å; P43-T46 VanDerWaalsContact O-OG1 3.09Å; K44-T46 VanDerWaalsContact C-N 3.33Å; T46-E154 HydrophobicContact CG2-CB 3.69Å
47	R	88.8	Confident	88.5	Confident	53 Å²	53	80.8 Å²	80.8	20%	0.2	41%	0.406	C	S	.	.			trans	-142.7	147.5	-178.4	61.9	174.7	174.3	171.9	-0.7	111.3	Y152 E412	R47-Y152 HydrophobicContact CG-CE1 4.26Å; R47-Y152 VanDerWaalsContact CZ-OH 3.26Å; R47-Y152 PolarHBondContact NH1-OH 2.71Å; R47-E412 IonicContact CZ-OE2 3.21Å; R47-E412 IonicContact NE-OE2 2.66Å; R47-E412 IonicContact NH2-OE2 3.2Å; R47-E412 PolarHBondContact NH2-OE2 2.89Å
48	D	92.3	Very high	89.9	Confident	130 Å²	130	76.5 Å²	76.5	70%	0.695	39%	0.389	S	S	*	.			trans	-72.4	163.1	159	-58.7	-46.8	0	0	0	109.3
49	R	89.2	Confident	90.4	Very high	43 Å²	43	71.3 Å²	71.3	16%	0.162	37%	0.374	C	S	.	.			trans	-119.2	131.4	171.1	-72.1	-177	173.2	87.2	-1.9	109.4	Q53 M54 E412	R49-Q53 HydrophobicContact CB-CB 4.08Å; R49-Q53 HydrophobicContact CG-CB 4.41Å; R49-M54 HydrophobicContact CB-CG 3.95Å; R49-M54 HydrophobicContact CB-SD 3.77Å; R49-M54 HydrophobicContact CG-SD 4.38Å; R49-E412 IonicContact CZ-OE1 3.47Å; R49-E412 IonicContact NH2-OE1 2.75Å; R49-E412 PolarHBondContact NH2-OE1 3.02Å; R49-E412 IonicContact NH2-OE2 3.12Å; R49-E412 PolarHBondContact NH2-OE2 3.25Å
50	D	88.8	Confident	90.9	Very high	75 Å²	75	65.7 Å²	65.7	40%	0.401	35%	0.345	S	S	.	.			trans	-73.6	168	172.9	72.2	51.8	0	0	0	111.5	I52 Q53 M54	D50-I52 VanDerWaalsContact C-N 3.28Å; D50-I52 PolarHBondContact O-N 3.25Å; D50-I52 WeakPolarHBondContact OD1-CA 3.44Å; D50-I52 WeakPolarHBondContact OD1-CB 3.27Å; D50-I52 PolarHBondContact OD1-N 3.42Å; D50-Q53 WeakPolarHBondContact O-CB 3.42Å; D50-Q53 PolarHBondContact O-N 3.31Å; D50-Q53 PolarHBondContact OD1-N 3.16Å; D50-Q53 PolarHBondContact OD2-OE1 2.96Å; D50-M54 PolarHBondContact O-N 3.2Å
51	P	90.6	Very high	91.2	Very high	86 Å²	86	61.3 Å²	61.3	56%	0.558	32%	0.316	S	S	*	.	H	α-helix	trans	-58.1	-33.7	-177.9	-28.4	37.4	0	0	0	114.9	M54 T55 P434	P51-M54 PolarHBondContact O-N 3.13Å; P51-T55 PolarHBondContact O-N 2.86Å; P51-T55 PolarHBondContact O-OG1 3.12Å; P51-T55 VanDerWaalsContact O-OG1 3.08Å; P51-P434 HydrophobicContact CB-CB 3.45Å; P51-P434 VanDerWaalsContact CB-CB 3.45Å; P51-P434 HydrophobicContact CB-CG 4.42Å
52	I	86.4	Confident	91.4	Very high	82 Å²	82	57.5 Å²	57.5	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-71.8	-44	178.7	-62.1	174.2	0	0	0	109.5	D50 M54 T55 I56 V432	D50-I52 VanDerWaalsContact C-N 3.28Å; D50-I52 PolarHBondContact O-N 3.25Å; D50-I52 WeakPolarHBondContact OD1-CA 3.44Å; D50-I52 WeakPolarHBondContact OD1-CB 3.27Å; D50-I52 PolarHBondContact OD1-N 3.42Å; I52-M54 PolarHBondContact O-N 3.19Å; I52-T55 PolarHBondContact O-N 2.84Å; I52-I56 HydrophobicContact CG2-CD1 4.17Å; I52-I56 WeakPolarHBondContact O-CG1 3.24Å; I52-I56 PolarHBondContact O-N 3.44Å; I52-V432 HydrophobicContact CG2-CB 4.45Å; I52-V432 HydrophobicContact CG2-CG1 4.37Å
53	Q	87	Confident	91.7	Very high	45 Å²	45	55.6 Å²	55.6	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-36.7	174.1	-69.6	176.6	-31.2	0	0	111.8	R49 D50 I56 L57	R49-Q53 HydrophobicContact CB-CB 4.08Å; R49-Q53 HydrophobicContact CG-CB 4.41Å; D50-Q53 WeakPolarHBondContact O-CB 3.42Å; D50-Q53 PolarHBondContact O-N 3.31Å; D50-Q53 PolarHBondContact OD1-N 3.16Å; D50-Q53 PolarHBondContact OD2-OE1 2.96Å; Q53-I56 PolarHBondContact O-N 3.49Å; Q53-L57 VanDerWaalsContact O-CB 3.31Å; Q53-L57 WeakPolarHBondContact O-CB 3.34Å; Q53-L57 PolarHBondContact O-N 3.02Å
54	M	92.3	Very high	91.9	Very high	65 Å²	65	51.4 Å²	51.4	32%	0.32	27%	0.268	S	S	.	.	H	α-helix	trans	-66.8	-43.1	174.5	-75.2	-56.6	-54.3	0	0	112.4	R49 D50 P51 I52 I56 L57 E58	R49-M54 HydrophobicContact CB-CG 3.95Å; R49-M54 HydrophobicContact CB-SD 3.77Å; R49-M54 HydrophobicContact CG-SD 4.38Å; D50-M54 PolarHBondContact O-N 3.2Å; P51-M54 PolarHBondContact O-N 3.13Å; I52-M54 PolarHBondContact O-N 3.19Å; M54-I56 VanDerWaalsContact C-N 3.31Å; M54-I56 PolarHBondContact O-N 3.31Å; M54-L57 HydrophobicContact CE-CD2 4Å; M54-L57 WeakPolarHBondContact O-CB 3.43Å; M54-L57 PolarHBondContact O-N 2.96Å; M54-L57 HydrophobicContact SD-CD2 3.88Å; M54-E58 WeakPolarHBondContact O-CB 3.36Å; M54-E58 WeakPolarHBondContact O-CG 3.49Å; M54-E58 PolarHBondContact O-N 3.22Å
55	T	89.5	Confident	92.2	Very high	37 Å²	37	48.3 Å²	48.3	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-42.3	174.6	-55.3	0	0	0	0	111.9	P51 I52 E58 D59 V432	P51-T55 PolarHBondContact O-N 2.86Å; P51-T55 PolarHBondContact O-OG1 3.12Å; P51-T55 VanDerWaalsContact O-OG1 3.08Å; I52-T55 PolarHBondContact O-N 2.84Å; T55-E58 PolarHBondContact O-N 3.43Å; T55-D59 WeakPolarHBondContact O-CB 3.48Å; T55-D59 PolarHBondContact O-N 2.76Å; T55-V432 HydrophobicContact CG2-CG1 3.52Å
56	I	88.8	Confident	92.6	Very high	30 Å²	30	54.3 Å²	54.3	15%	0.154	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-40.9	177	-62.6	166.2	0	0	0	110.9	I52 Q53 M54 D59 V60 L415 K418	I52-I56 HydrophobicContact CG2-CD1 4.17Å; I52-I56 WeakPolarHBondContact O-CG1 3.24Å; I52-I56 PolarHBondContact O-N 3.44Å; Q53-I56 PolarHBondContact O-N 3.49Å; M54-I56 VanDerWaalsContact C-N 3.31Å; M54-I56 PolarHBondContact O-N 3.31Å; I56-D59 PolarHBondContact O-N 3.14Å; I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 3.05Å; I56-V60 VanDerWaalsContact O-N 3.08Å; I56-L415 HydrophobicContact CG2-CD2 3.73Å; I56-K418 HydrophobicContact CG2-CD 3.82Å
57	L	92.2	Very high	92.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-45.5	176.7	178.8	69.9	0	0	0	111.7	Q53 M54 D59 V60 F61 Y156 V411 L415	Q53-L57 VanDerWaalsContact O-CB 3.31Å; Q53-L57 WeakPolarHBondContact O-CB 3.34Å; Q53-L57 PolarHBondContact O-N 3.02Å; M54-L57 HydrophobicContact CE-CD2 4Å; M54-L57 WeakPolarHBondContact O-CB 3.43Å; M54-L57 PolarHBondContact O-N 2.96Å; M54-L57 HydrophobicContact SD-CD2 3.88Å; L57-D59 VanDerWaalsContact C-N 3.33Å; L57-D59 PolarHBondContact O-N 3.21Å; L57-V60 PolarHBondContact O-N 3.32Å; L57-F61 HydrophobicContact CD1-CD1 4.36Å; L57-F61 HydrophobicContact CD1-CD2 4.38Å; L57-F61 HydrophobicContact CD1-CE1 3.8Å; L57-F61 HydrophobicContact CD1-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CZ 3.51Å; L57-F61 HydrophobicContact CD2-CE2 3.84Å; L57-F61 HydrophobicContact CD2-CZ 4.16Å; L57-F61 HydrophobicContact CG-CD2 4.02Å; L57-F61 HydrophobicContact CG-CE1 4.45Å; L57-F61 HydrophobicContact CG-CE2 3.62Å; L57-F61 HydrophobicContact CG-CZ 3.87Å; L57-F61 WeakPolarHBondContact O-CG 3.44Å; L57-F61 PolarHBondContact O-N 3.42Å; L57-Y156 HydrophobicContact CD2-CE2 4.29Å; L57-V411 HydrophobicContact CD1-CG1 3.53Å; L57-L415 HydrophobicContact CD1-CD1 3.9Å
58	E	93.5	Very high	93.3	Very high	107 Å²	107	50.7 Å²	50.7	50%	0.5	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-40.8	177.4	-75.2	174	178.6	0	0	111.6	M54 T55 F61 S62	M54-E58 WeakPolarHBondContact O-CB 3.36Å; M54-E58 WeakPolarHBondContact O-CG 3.49Å; M54-E58 PolarHBondContact O-N 3.22Å; T55-E58 PolarHBondContact O-N 3.43Å; E58-F61 PolarHBondContact O-N 3.36Å; E58-S62 VanDerWaalsContact O-CB 3.31Å; E58-S62 WeakPolarHBondContact O-CB 3.41Å; E58-S62 PolarHBondContact O-N 3Å
59	D	91.5	Very high	93.6	Very high	79 Å²	79	50.7 Å²	50.7	42%	0.422	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-45.5	174.8	-179.7	45.3	0	0	0	111.9	T55 I56 L57 S62 T63 K418	T55-D59 WeakPolarHBondContact O-CB 3.48Å; T55-D59 PolarHBondContact O-N 2.76Å; I56-D59 PolarHBondContact O-N 3.14Å; L57-D59 VanDerWaalsContact C-N 3.33Å; L57-D59 PolarHBondContact O-N 3.21Å; D59-S62 PolarHBondContact O-N 3.35Å; D59-S62 PolarHBondContact O-OG 3.06Å; D59-T63 PolarHBondContact O-N 2.8Å; D59-T63 VanDerWaalsContact O-N 3.1Å; D59-T63 PolarHBondContact O-OG1 3.24Å; D59-K418 IonicContact OD2-NZ 3.11Å; D59-K418 PolarHBondContact OD2-NZ 3.03Å
60	V	94.3	Very high	94.1	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-47.3	174.7	171.4	0	0	0	0	110.9	I56 L57 S62 T63 I64 L186 L414 L415 K418	I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 3.05Å; I56-V60 VanDerWaalsContact O-N 3.08Å; L57-V60 PolarHBondContact O-N 3.32Å; V60-S62 VanDerWaalsContact C-N 3.35Å; V60-S62 PolarHBondContact O-N 3.18Å; V60-T63 PolarHBondContact O-N 3.28Å; V60-I64 HydrophobicContact CG1-CD1 3.78Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.28Å; V60-I64 VanDerWaalsContact O-N 3.08Å; V60-L186 HydrophobicContact CB-CD2 4.41Å; V60-L186 HydrophobicContact CG1-CD2 4.24Å; V60-L186 HydrophobicContact CG2-CD2 4.2Å; V60-L414 HydrophobicContact CG1-CD1 4.46Å; V60-L415 HydrophobicContact CG2-CD2 3.98Å; V60-K418 HydrophobicContact CG2-CD 4.23Å
61	F	97.2	Very high	94.5	Very high	30 Å²	30	52.4 Å²	52.4	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-41.8	176.5	-73	-17.5	0	0	0	112.4	L57 E58 T63 I64 I65 I136 Y156 V411	L57-F61 HydrophobicContact CD1-CD1 4.36Å; L57-F61 HydrophobicContact CD1-CD2 4.38Å; L57-F61 HydrophobicContact CD1-CE1 3.8Å; L57-F61 HydrophobicContact CD1-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CZ 3.51Å; L57-F61 HydrophobicContact CD2-CE2 3.84Å; L57-F61 HydrophobicContact CD2-CZ 4.16Å; L57-F61 HydrophobicContact CG-CD2 4.02Å; L57-F61 HydrophobicContact CG-CE1 4.45Å; L57-F61 HydrophobicContact CG-CE2 3.62Å; L57-F61 HydrophobicContact CG-CZ 3.87Å; L57-F61 WeakPolarHBondContact O-CG 3.44Å; L57-F61 PolarHBondContact O-N 3.42Å; E58-F61 PolarHBondContact O-N 3.36Å; F61-T63 VanDerWaalsContact C-N 3.31Å; F61-T63 PolarHBondContact O-N 3.47Å; F61-I64 PolarHBondContact O-N 3.37Å; F61-I65 HydrophobicContact CB-CD1 4.29Å; F61-I65 VanDerWaalsContact O-CB 3.3Å; F61-I65 WeakPolarHBondContact O-CB 3.49Å; F61-I65 WeakPolarHBondContact O-CD1 3.4Å; F61-I65 WeakPolarHBondContact O-CG1 3.45Å; F61-I65 PolarHBondContact O-N 3.16Å; F61-I136 HydrophobicContact CD1-CD1 4.32Å; F61-I136 HydrophobicContact CD1-CG2 4.13Å; F61-I136 HydrophobicContact CE1-CG2 3.66Å; F61-I136 HydrophobicContact CE2-CG2 4.2Å; F61-I136 HydrophobicContact CZ-CG2 3.7Å; F61-Y156 HydrophobicContact CE1-CG 4.5Å; F61-Y156 HydrophobicContact CE2-CD1 4.48Å; F61-Y156 HydrophobicContact CE2-CE1 4.35Å; F61-Y156 AromaticContact CZ-CD1 3.68Å; F61-Y156 HydrophobicContact CZ-CD1 3.68Å; F61-Y156 HydrophobicContact CZ-CD2 4.17Å; F61-Y156 AromaticContact CZ-CE1 3.98Å; F61-Y156 HydrophobicContact CZ-CE1 3.98Å; F61-Y156 HydrophobicContact CZ-CE2 4.45Å; F61-Y156 AromaticContact CZ-CG 3.77Å; F61-Y156 HydrophobicContact CZ-CG 3.77Å; F61-V411 HydrophobicContact CE1-CG1 3.93Å; F61-V411 HydrophobicContact CE1-CG2 3.96Å
62	S	96.8	Very high	94.9	Very high	60 Å²	60	54.7 Å²	54.7	42%	0.42	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-42.2	-179.8	79.9	0	0	0	0	111.4	E58 D59 V60 R66	E58-S62 VanDerWaalsContact O-CB 3.31Å; E58-S62 WeakPolarHBondContact O-CB 3.41Å; E58-S62 PolarHBondContact O-N 3Å; D59-S62 PolarHBondContact O-N 3.35Å; D59-S62 PolarHBondContact O-OG 3.06Å; V60-S62 VanDerWaalsContact C-N 3.35Å; V60-S62 PolarHBondContact O-N 3.18Å; S62-R66 WeakPolarHBondContact O-CB 3.35Å; S62-R66 PolarHBondContact O-N 3.25Å
63	T	97.1	Very high	95.5	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-49.1	176.6	-62.5	0	0	0	0	110.9	D59 V60 F61 R66 C67 E185 L186	D59-T63 PolarHBondContact O-N 2.8Å; D59-T63 VanDerWaalsContact O-N 3.1Å; D59-T63 PolarHBondContact O-OG1 3.24Å; V60-T63 PolarHBondContact O-N 3.28Å; F61-T63 VanDerWaalsContact C-N 3.31Å; F61-T63 PolarHBondContact O-N 3.47Å; T63-R66 PolarHBondContact O-N 3.2Å; T63-C67 PolarHBondContact O-N 2.92Å; T63-C67 VanDerWaalsContact O-N 3.17Å; T63-E185 HydrophobicContact CG2-CB 3.68Å; T63-L186 HydrophobicContact CG2-CD2 3.84Å; T63-L186 HydrophobicContact CG2-CG 4.09Å
64	I	98.1	Very high	96	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-51.4	178.8	-67.6	171.3	0	0	0	111.1	V60 F61 R66 C67 F68 C158 V182 F409 L414	V60-I64 HydrophobicContact CG1-CD1 3.78Å; V60-I64 VanDerWaalsContact O-CG1 3.31Å; V60-I64 WeakPolarHBondContact O-CG1 3.34Å; V60-I64 PolarHBondContact O-N 3.28Å; V60-I64 VanDerWaalsContact O-N 3.08Å; F61-I64 PolarHBondContact O-N 3.37Å; I64-R66 VanDerWaalsContact C-N 3.3Å; I64-R66 PolarHBondContact O-N 2.75Å; I64-C67 PolarHBondContact O-N 2.68Å; I64-F68 HydrophobicContact CG2-CD1 4.27Å; I64-F68 HydrophobicContact CG2-CD2 3.71Å; I64-F68 HydrophobicContact CG2-CE1 3.86Å; I64-F68 HydrophobicContact CG2-CE2 3.28Å; I64-F68 HydrophobicContact CG2-CG 4.23Å; I64-F68 HydrophobicContact CG2-CZ 3.38Å; I64-F68 WeakPolarHBondContact O-CG 3.34Å; I64-F68 PolarHBondContact O-N 2.85Å; I64-C158 HydrophobicContact CD1-CB 4.21Å; I64-C158 HydrophobicContact CG2-CB 3.96Å; I64-V182 HydrophobicContact CG1-CG1 3.7Å; I64-F409 HydrophobicContact CD1-CD2 4.4Å; I64-L414 HydrophobicContact CD1-CD1 4.45Å
65	I	98.6	Very high	96.3	Very high	46 Å²	46	54 Å²	54	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-40.7	-178.8	-68.3	166.5	0	0	0	110.7	F61 C67 F68 K69 Y134 I136	F61-I65 HydrophobicContact CB-CD1 4.29Å; F61-I65 VanDerWaalsContact O-CB 3.3Å; F61-I65 WeakPolarHBondContact O-CB 3.49Å; F61-I65 WeakPolarHBondContact O-CD1 3.4Å; F61-I65 WeakPolarHBondContact O-CG1 3.45Å; F61-I65 PolarHBondContact O-N 3.16Å; I65-C67 VanDerWaalsContact C-N 3.35Å; I65-C67 PolarHBondContact O-N 2.85Å; I65-F68 PolarHBondContact O-N 3.16Å; I65-K69 HydrophobicContact CG2-CD 3.99Å; I65-K69 HydrophobicContact CG2-CG 4.28Å; I65-K69 WeakPolarHBondContact O-CB 3.41Å; I65-K69 WeakPolarHBondContact O-CG 3.22Å; I65-K69 PolarHBondContact O-N 3.25Å; I65-Y134 HydrophobicContact CG1-CE2 4.21Å; I65-Y134 HydrophobicContact CG2-CE2 4.47Å; I65-I136 HydrophobicContact CD1-CD1 3.78Å; I65-I136 HydrophobicContact CG1-CD1 3.43Å; I65-I136 VanDerWaalsContact CG1-CD1 3.43Å
66	R	98.4	Very high	96.7	Very high	135 Å²	135	53.2 Å²	53.2	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-44.9	177.3	-179.8	178.1	62.3	-166.1	-6.4	111.3	S62 T63 I64 R70 E185	S62-R66 WeakPolarHBondContact O-CB 3.35Å; S62-R66 PolarHBondContact O-N 3.25Å; T63-R66 PolarHBondContact O-N 3.2Å; I64-R66 VanDerWaalsContact C-N 3.3Å; I64-R66 PolarHBondContact O-N 2.75Å; R66-R70 WeakPolarHBondContact O-CB 3.26Å; R66-R70 PolarHBondContact O-N 2.84Å; R66-E185 IonicContact CZ-OE2 2.7Å; R66-E185 IonicContact NE-OE2 3.6Å; R66-E185 PolarHBondContact NE-OE2 2.97Å; R66-E185 IonicContact NH2-OE2 3.68Å; R66-E185 PolarHBondContact NH2-OE2 3.43Å
67	C	98.6	Very high	97.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-45.2	175.9	-175.5	0	0	0	0	111.5	T63 I64 I65 K69 R70 H71 V182	T63-C67 PolarHBondContact O-N 2.92Å; T63-C67 VanDerWaalsContact O-N 3.17Å; I64-C67 PolarHBondContact O-N 2.68Å; I65-C67 VanDerWaalsContact C-N 3.35Å; I65-C67 PolarHBondContact O-N 2.85Å; C67-K69 VanDerWaalsContact C-N 3.33Å; C67-K69 PolarHBondContact O-N 3.26Å; C67-R70 VanDerWaalsContact O-CB 3.29Å; C67-R70 WeakPolarHBondContact O-CB 3.3Å; C67-R70 PolarHBondContact O-N 3.01Å; C67-R70 VanDerWaalsContact O-N 3.08Å; C67-H71 PolarHBondContact O-CD2 3.49Å; C67-H71 PolarHBondContact O-N 2.94Å; C67-H71 VanDerWaalsContact O-N 3.14Å; C67-V182 HydrophobicContact CB-CG2 3.63Å
68	F	98.7	Very high	97.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-42.4	177.2	-68.6	-8	0	0	0	112.7	I64 I65 H71 A73 Y134 C158 F160 I178 F407 F409	I64-F68 HydrophobicContact CG2-CD1 4.27Å; I64-F68 HydrophobicContact CG2-CD2 3.71Å; I64-F68 HydrophobicContact CG2-CE1 3.86Å; I64-F68 HydrophobicContact CG2-CE2 3.28Å; I64-F68 HydrophobicContact CG2-CG 4.23Å; I64-F68 HydrophobicContact CG2-CZ 3.38Å; I64-F68 WeakPolarHBondContact O-CG 3.34Å; I64-F68 PolarHBondContact O-N 2.85Å; I65-F68 PolarHBondContact O-N 3.16Å; F68-H71 PolarHBondContact O-N 3.25Å; F68-A73 WeakPolarHBondContact O-CB 3.49Å; F68-A73 PolarHBondContact O-N 2.75Å; F68-Y134 HydrophobicContact CB-CD1 3.97Å; F68-Y134 HydrophobicContact CB-CG 3.97Å; F68-Y134 HydrophobicContact CD2-CD1 4.43Å; F68-Y134 AromaticContact CD2-CD2 3.75Å; F68-Y134 HydrophobicContact CD2-CD2 3.75Å; F68-Y134 AromaticContact CD2-CG 3.59Å; F68-Y134 HydrophobicContact CD2-CG 3.59Å; F68-Y134 HydrophobicContact CE2-CD2 4.49Å; F68-Y134 HydrophobicContact CE2-CG 4.46Å; F68-Y134 HydrophobicContact CG-CG 4.22Å; F68-C158 HydrophobicContact CE2-CB 4.26Å; F68-C158 HydrophobicContact CZ-CB 4.46Å; F68-F160 HydrophobicContact CB-CD2 4.13Å; F68-F160 HydrophobicContact CD1-CB 4.19Å; F68-F160 AromaticContact CD1-CD2 3.71Å; F68-F160 HydrophobicContact CD1-CD2 3.71Å; F68-F160 HydrophobicContact CD1-CG 4.34Å; F68-F160 HydrophobicContact CE1-CB 3.82Å; F68-F160 HydrophobicContact CE1-CD2 4.21Å; F68-F160 HydrophobicContact CE1-CG 4.4Å; F68-F160 HydrophobicContact CE2-CB 4.31Å; F68-F160 AromaticContact CG-CD2 3.9Å; F68-F160 HydrophobicContact CG-CD2 3.9Å; F68-F160 HydrophobicContact CZ-CB 3.85Å; F68-I178 HydrophobicContact CD1-CG2 3.78Å; F68-I178 HydrophobicContact CE1-CG2 3.8Å; F68-F407 AromaticContact CE1-CE2 3.96Å; F68-F407 HydrophobicContact CE1-CE2 3.96Å; F68-F407 AromaticContact CE1-CZ 3.77Å; F68-F407 HydrophobicContact CE1-CZ 3.77Å; F68-F407 HydrophobicContact CZ-CE2 4.15Å; F68-F407 HydrophobicContact CZ-CZ 4.33Å; F68-F409 HydrophobicContact CE1-CE2 4.26Å; F68-F409 HydrophobicContact CZ-CD2 4.25Å; F68-F409 HydrophobicContact CZ-CE2 4.33Å
69	K	98.5	Very high	97.7	Very high	131 Å²	131	56.6 Å²	56.6	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-67	-36	174.6	-74	-178.9	176.9	180	0	112.7	I65 C67 H71 D72 Y134	I65-K69 HydrophobicContact CG2-CD 3.99Å; I65-K69 HydrophobicContact CG2-CG 4.28Å; I65-K69 WeakPolarHBondContact O-CB 3.41Å; I65-K69 WeakPolarHBondContact O-CG 3.22Å; I65-K69 PolarHBondContact O-N 3.25Å; C67-K69 VanDerWaalsContact C-N 3.33Å; C67-K69 PolarHBondContact O-N 3.26Å; K69-H71 PolarHBondContact O-N 3.33Å; K69-D72 PolarHBondContact O-N 3.47Å; K69-Y134 HydrophobicContact CG-CE1 4.34Å
70	R	98.6	Very high	98	Very high	127 Å²	127	55.3 Å²	55.3	48%	0.479	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-31.2	174.1	-170.9	-172	-57.8	150.8	0.6	111.8	R66 C67 D72 E181 E185	R66-R70 WeakPolarHBondContact O-CB 3.26Å; R66-R70 PolarHBondContact O-N 2.84Å; C67-R70 VanDerWaalsContact O-CB 3.29Å; C67-R70 WeakPolarHBondContact O-CB 3.3Å; C67-R70 PolarHBondContact O-N 3.01Å; C67-R70 VanDerWaalsContact O-N 3.08Å; R70-D72 VanDerWaalsContact C-N 3.33Å; R70-E181 IonicContact CZ-OE2 2.73Å; R70-E181 IonicContact NH1-OE2 3.42Å; R70-E181 PolarHBondContact NH1-OE2 3.48Å; R70-E185 IonicContact CZ-OE1 3.44Å; R70-E185 VanDerWaalsContact CZ-OE1 3.26Å; R70-E185 IonicContact NH1-OE1 2.91Å; R70-E185 PolarHBondContact NH1-OE1 2.8Å; R70-E185 IonicContact NH2-OE1 3.62Å; R70-E185 PolarHBondContact NH2-OE1 2.71Å; R70-E185 IonicContact NH2-OE2 3.71Å
71	H	98.5	Very high	98.2	Very high	26 Å²	26	59.3 Å²	59.3	12%	0.12	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.9	176.8	-80.5	-95.1	0	0	0	114.6	C67 F68 K69 A73 K132 F160 E174 I178 E181	C67-H71 PolarHBondContact O-CD2 3.49Å; C67-H71 PolarHBondContact O-N 2.94Å; C67-H71 VanDerWaalsContact O-N 3.14Å; F68-H71 PolarHBondContact O-N 3.25Å; K69-H71 PolarHBondContact O-N 3.33Å; H71-A73 PolarHBondContact O-N 3.47Å; H71-K132 WeakPolarHBondContact O-CD 3.44Å; H71-K132 PolarHBondContact O-NZ 2.9Å; H71-F160 HydrophobicContact CB-CE2 3.99Å; H71-F160 HydrophobicContact CB-CZ 4.03Å; H71-E174 IonicContact CE1-OE1 3.4Å; H71-E174 IonicContact CG-OE1 3.59Å; H71-E174 IonicContact ND1-OE1 3.1Å; H71-E174 PolarHBondContact ND1-OE1 3.27Å; H71-I178 HydrophobicContact CB-CD1 3.89Å; H71-I178 HydrophobicContact CB-CG1 4.1Å; H71-I178 VanDerWaalsContact CE1-CG1 3.46Å; H71-I178 WeakPolarHBondContact CE1-CG1 3.42Å; H71-I178 VanDerWaalsContact CG-CG1 3.41Å; H71-I178 WeakPolarHBondContact ND1-CG1 3.43Å; H71-E181 IonicContact NE2-OE1 3.26Å; H71-E181 IonicContact NE2-OE2 3.8Å
72	D	98.3	Very high	98.3	Very high	134 Å²	134	58.7 Å²	58.7	72%	0.717	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	36	175.3	-164.4	39.6	0	0	0	114.5	K69 R70	K69-D72 PolarHBondContact O-N 3.47Å; R70-D72 VanDerWaalsContact C-N 3.33Å
73	A	98.6	Very high	98.3	Very high	10 Å²	10	58.5 Å²	58.5	8%	0.083	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-88.3	131.5	173.3	0	0	0	0	0	112.8	F68 H71 K132 Y134 F160	F68-A73 WeakPolarHBondContact O-CB 3.49Å; F68-A73 PolarHBondContact O-N 2.75Å; H71-A73 PolarHBondContact O-N 3.47Å; A73-K132 WeakPolarHBondContact CA-O 3.5Å; A73-K132 HydrophobicContact CB-CD 4.36Å; A73-K132 HydrophobicContact CB-CG 3.95Å; A73-Y134 HydrophobicContact CB-CD1 3.81Å; A73-F160 HydrophobicContact CB-CD2 3.83Å; A73-F160 HydrophobicContact CB-CE2 3.37Å; A73-F160 HydrophobicContact CB-CZ 4.18Å
74	V	98.5	Very high	98.3	Very high	79 Å²	79	62.4 Å²	62.4	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	156.5	166.9	-60.4	0	0	0	0	110.6	I131 K132 R133 Y134	V74-I131 HydrophobicContact CG2-CD1 3.98Å; V74-I131 HydrophobicContact CG2-CG1 4.02Å; V74-K132 WeakPolarHBondContact CG2-O 3.31Å; V74-K132 PolarHBondContact N-O 3.03Å; V74-R133 HydrophobicContact CG2-CB 4.22Å; V74-R133 CarbonylContact O-C 3.55Å; V74-R133 WeakPolarHBondContact O-CA 3.38Å; V74-Y134 WeakPolarHBondContact O-CD1 3.4Å; V74-Y134 PolarHBondContact O-N 3.17Å
75	T	98.4	Very high	98.2	Very high	89 Å²	89	69.2 Å²	69.2	55%	0.546	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.2	173.6	-165.8	0	0	0	0	110.6	Y134	T75-Y134 WeakPolarHBondContact CA-O 3.26Å; T75-Y134 VanDerWaalsContact CB-CZ 3.48Å
76	I	98.2	Very high	98.1	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.108	34%	0.335	C	S	.	.			trans	-128	162.9	167.1	64.7	173.2	0	0	0	109.3	F119 Y122 R133 Y134 Q135	I76-F119 HydrophobicContact CD1-CD2 3.94Å; I76-Y122 HydrophobicContact CD1-CD1 4.14Å; I76-Y122 HydrophobicContact CD1-CE1 4.39Å; I76-Y122 HydrophobicContact CD1-CG 4.35Å; I76-Y122 HydrophobicContact CG2-CE1 4.38Å; I76-R133 HydrophobicContact CD1-CG 4.23Å; I76-Y134 PolarHBondContact N-O 3Å; I76-Q135 WeakPolarHBondContact O-CG 3.44Å
77	D	98.3	Very high	98	Very high	121 Å²	121	61.3 Å²	61.3	65%	0.647	31%	0.311	S	S	*	.			trans	-135.5	150.5	164.4	-171.1	28.9	0	0	0	109.4	R112 Q135	D77-R112 IonicContact OD1-NH1 3.84Å; D77-Q135 PolarHBondContact OD1-NE2 3.19Å
78	T	98.2	Very high	97.7	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.043	33%	0.331	C	S	.	.			trans	-125	155.5	-179.9	66.5	0	0	0	0	109.3	R112 P118 Q135	T78-R112 PolarHBondContact O-NH1 3.34Å; T78-R112 PolarHBondContact OG1-NH1 3.36Å; T78-P118 HydrophobicContact CG2-CB 4.19Å; T78-Q135 PolarHBondContact OG1-NE2 3.3Å
79	P	98.5	Very high	97.2	Very high	80 Å²	80	66.8 Å²	66.8	52%	0.519	36%	0.363	S	S	.	.			trans	-51.7	153.5	172.3	-26.1	35.7	0	0	0	112.4	F81	P79-F81 WeakPolarHBondContact CB-O 3.43Å; P79-F81 PolarHBondContact O-N 3.25Å
80	V	98.2	Very high	96.9	Very high	53 Å²	53	62.2 Å²	62.2	32%	0.321	34%	0.343	S	S	.	.	S	Bend	trans	-68.7	-24.8	-178.7	72.6	0	0	0	0	112.7	L111 R112 Y140	V80-L111 HydrophobicContact CG1-CD2 4.5Å; V80-L111 HydrophobicContact CG2-CD2 4.43Å; V80-R112 PolarHBondContact O-N 3.02Å; V80-R112 VanDerWaalsContact O-N 3.08Å; V80-Y140 HydrophobicContact CG2-CD2 4.43Å; V80-Y140 HydrophobicContact CG2-CE2 3.35Å; V80-Y140 VanDerWaalsContact CG2-OH 3.23Å; V80-Y140 WeakPolarHBondContact CG2-OH 3.43Å
81	F	98.1	Very high	96.5	Very high	86 Å²	86	56.1 Å²	56.1	38%	0.377	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.3	174.9	46	-105.5	0	0	0	110.7	P79 L101 L109 A110 L111	P79-F81 WeakPolarHBondContact CB-O 3.43Å; P79-F81 PolarHBondContact O-N 3.25Å; F81-L101 HydrophobicContact CD1-CD2 4.17Å; F81-L101 HydrophobicContact CG-CD2 4.48Å; F81-L109 HydrophobicContact CD2-CD1 3.92Å; F81-L109 HydrophobicContact CD2-CD2 4.35Å; F81-L109 HydrophobicContact CE2-CD1 4.02Å; F81-L109 HydrophobicContact CG-CD1 4.41Å; F81-A110 CarbonylContact C-O 3.51Å; F81-A110 WeakPolarHBondContact CA-O 3.2Å; F81-A110 WeakPolarHBondContact CB-O 3.33Å; F81-L111 HydrophobicContact CB-CD2 4.34Å
82	E	98.5	Very high	95.9	Very high	16 Å²	16	56 Å²	56	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	166.6	170.8	-70	-75	-176.3	0	0	108.5	K84 V86 L87 L109 A110 P118 R121	E82-K84 PolarHBondContact O-N 3.31Å; E82-V86 HydrophobicContact CB-CB 4.17Å; E82-V86 HydrophobicContact CB-CG1 4.19Å; E82-V86 HydrophobicContact CG-CG1 4.35Å; E82-L87 HydrophobicContact CB-CD1 4.44Å; E82-L87 HydrophobicContact CB-CD2 4.15Å; E82-L87 HydrophobicContact CB-CG 4.13Å; E82-L87 HydrophobicContact CG-CD2 4.27Å; E82-L109 WeakPolarHBondContact O-CA 3.46Å; E82-A110 PolarHBondContact N-O 3.21Å; E82-A110 PolarHBondContact O-N 3.43Å; E82-P118 HydrophobicContact CG-CG 4.24Å; E82-P118 WeakPolarHBondContact OE1-CB 3.48Å; E82-R121 IonicContact OE1-CZ 3.2Å; E82-R121 IonicContact OE1-NE 3.35Å; E82-R121 PolarHBondContact OE1-NE 2.98Å; E82-R121 IonicContact OE1-NH2 2.78Å; E82-R121 PolarHBondContact OE1-NH2 3.45Å; E82-R121 WeakPolarHBondContact OE2-CD 3.38Å; E82-R121 IonicContact OE2-NE 2.76Å; E82-R121 PolarHBondContact OE2-NE 2.8Å; E82-R121 VanDerWaalsContact OE2-NE 3.12Å
83	L	98.2	Very high	95.2	Very high	56 Å²	56	54.8 Å²	54.8	29%	0.293	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	137.6	164.2	-66.1	173.2	0	0	0	108.6	E85 V86 E107 L109	L83-E85 HydrophobicContact CB-CG 3.99Å; L83-E85 PolarHBondContact O-N 3.23Å; L83-E85 VanDerWaalsContact O-N 3.12Å; L83-V86 HydrophobicContact CB-CG2 4Å; L83-V86 VanDerWaalsContact O-CB 3.29Å; L83-V86 WeakPolarHBondContact O-CB 3.46Å; L83-V86 PolarHBondContact O-N 3.02Å; L83-E107 HydrophobicContact CD2-CB 3.92Å; L83-E107 HydrophobicContact CD2-CG 4.33Å; L83-L109 HydrophobicContact CD2-CD2 3.93Å
84	K	96.9	Very high	94.7	Very high	94 Å²	94	56.9 Å²	56.9	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-55.3	-36.4	-176.9	-179.9	170.5	176.8	167.6	0	112.4	E82 V86 L87 A88 D100 A108 A110	E82-K84 PolarHBondContact O-N 3.31Å; K84-V86 VanDerWaalsContact C-N 3.27Å; K84-V86 PolarHBondContact O-N 3.47Å; K84-L87 PolarHBondContact O-N 3.44Å; K84-A88 WeakPolarHBondContact O-CB 3.14Å; K84-A88 PolarHBondContact O-N 3.26Å; K84-A88 VanDerWaalsContact O-N 3.1Å; K84-D100 WeakPolarHBondContact CE-OD2 3.47Å; K84-D100 IonicContact NZ-OD1 2.73Å; K84-D100 IonicContact NZ-OD2 3.38Å; K84-D100 PolarHBondContact NZ-OD2 3.32Å; K84-A108 HydrophobicContact CB-CB 4.18Å; K84-A108 WeakPolarHBondContact CB-O 3.32Å; K84-A108 PolarHBondContact N-O 3.31Å; K84-A110 HydrophobicContact CB-CB 4.39Å
85	E	95.6	Very high	94.3	Very high	143 Å²	143	54.6 Å²	54.6	67%	0.668	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-25.7	177	62.8	178.8	-174.5	0	0	114.2	L83 L87	L83-E85 HydrophobicContact CB-CG 3.99Å; L83-E85 PolarHBondContact O-N 3.23Å; L83-E85 VanDerWaalsContact O-N 3.12Å; E85-L87 VanDerWaalsContact C-N 3.32Å
86	V	96.2	Very high	94	Very high	13 Å²	13	57 Å²	57	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-39.2	177.8	170.2	0	0	0	0	110.3	E82 L83 K84 K90 V117 R121 F395	E82-V86 HydrophobicContact CB-CB 4.17Å; E82-V86 HydrophobicContact CB-CG1 4.19Å; E82-V86 HydrophobicContact CG-CG1 4.35Å; L83-V86 HydrophobicContact CB-CG2 4Å; L83-V86 VanDerWaalsContact O-CB 3.29Å; L83-V86 WeakPolarHBondContact O-CB 3.46Å; L83-V86 PolarHBondContact O-N 3.02Å; K84-V86 VanDerWaalsContact C-N 3.27Å; K84-V86 PolarHBondContact O-N 3.47Å; V86-K90 WeakPolarHBondContact O-CG 3.3Å; V86-V117 HydrophobicContact CG1-CG1 4.14Å; V86-R121 HydrophobicContact CG1-CB 4.09Å; V86-R121 HydrophobicContact CG1-CG 4.22Å; V86-R121 HydrophobicContact CG2-CG 4.49Å; V86-F395 HydrophobicContact CB-CE1 4.31Å; V86-F395 HydrophobicContact CG1-CE1 3.84Å; V86-F395 HydrophobicContact CG1-CZ 4.01Å; V86-F395 WeakPolarHBondContact O-CZ 3.23Å
87	L	96.1	Very high	93.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-87.1	-26	-177.5	-54.5	-175.9	0	0	0	112.7	E82 K84 E85 G89 K90 Y91 I98 A110 L111 V117	E82-L87 HydrophobicContact CB-CD1 4.44Å; E82-L87 HydrophobicContact CB-CD2 4.15Å; E82-L87 HydrophobicContact CB-CG 4.13Å; E82-L87 HydrophobicContact CG-CD2 4.27Å; K84-L87 PolarHBondContact O-N 3.44Å; E85-L87 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 3.14Å; L87-K90 PolarHBondContact O-N 2.8Å; L87-Y91 HydrophobicContact CB-CE2 4.15Å; L87-Y91 HydrophobicContact CD2-CE2 4.44Å; L87-I98 HydrophobicContact CB-CD1 3.92Å; L87-I98 HydrophobicContact CD1-CG2 4.24Å; L87-A110 HydrophobicContact CD1-CB 3.88Å; L87-L111 WeakPolarHBondContact CD1-O 3.35Å; L87-V117 HydrophobicContact CD2-CB 4.44Å; L87-V117 HydrophobicContact CD2-CG1 4.01Å
88	A	92.3	Very high	93.7	Very high	50 Å²	50	52.4 Å²	52.4	41%	0.413	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	130.8	-175.6	0	0	0	0	0	112.7	K84 K90	K84-A88 WeakPolarHBondContact O-CB 3.14Å; K84-A88 PolarHBondContact O-N 3.26Å; K84-A88 VanDerWaalsContact O-N 3.1Å; A88-K90 VanDerWaalsContact C-N 3.29Å; A88-K90 PolarHBondContact O-N 2.79Å; A88-K90 PolarHBondContact O-NZ 3.13Å
89	G	88.9	Confident	93.6	Very high	65 Å²	65	55 Å²	55	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	16.3	174.5	0	0	0	0	0	115.2	L87	L87-G89 PolarHBondContact O-N 3.14Å
90	K	91.6	Very high	93.6	Very high	35 Å²	35	55.1 Å²	55.1	15%	0.152	30%	0.295	C	S	.	.	S	Bend	trans	-97.7	-24.7	180	-54.6	-58.1	179.2	-105.1	0	114.1	V86 L87 A88 V117 L391 M394 F395	V86-K90 WeakPolarHBondContact O-CG 3.3Å; L87-K90 PolarHBondContact O-N 2.8Å; A88-K90 VanDerWaalsContact C-N 3.29Å; A88-K90 PolarHBondContact O-N 2.79Å; A88-K90 PolarHBondContact O-NZ 3.13Å; K90-V117 HydrophobicContact CB-CG2 3.91Å; K90-V117 HydrophobicContact CG-CG1 4.16Å; K90-V117 HydrophobicContact CG-CG2 4.38Å; K90-L391 HydrophobicContact CD-CD1 4.02Å; K90-M394 HydrophobicContact CD-SD 3.71Å; K90-F395 HydrophobicContact CD-CZ 4.29Å; K90-F395 HydrophobicContact CG-CZ 4.47Å
91	Y	90.4	Very high	93.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-110.3	7.7	-170.8	-50.4	-72.7	0	0	0	114.3	L87 E94 I98 Y113 D114 V117 L312 Y314	L87-Y91 HydrophobicContact CB-CE2 4.15Å; L87-Y91 HydrophobicContact CD2-CE2 4.44Å; Y91-E94 WeakPolarHBondContact O-CB 3.13Å; Y91-E94 PolarHBondContact O-N 3.44Å; Y91-I98 HydrophobicContact CD2-CD1 4.05Å; Y91-I98 HydrophobicContact CE2-CD1 4.11Å; Y91-Y113 AromaticContact CD1-CD1 3.85Å; Y91-Y113 HydrophobicContact CD1-CD1 3.85Å; Y91-Y113 HydrophobicContact CD1-CE1 4.29Å; Y91-Y113 HydrophobicContact CD2-CD1 4.32Å; Y91-Y113 HydrophobicContact CD2-CG 4.4Å; Y91-Y113 AromaticContact CE1-CD1 3.81Å; Y91-Y113 HydrophobicContact CE1-CD1 3.81Å; Y91-Y113 HydrophobicContact CE2-CD1 4.28Å; Y91-Y113 HydrophobicContact CE2-CG 4.23Å; Y91-Y113 HydrophobicContact CG-CD1 4.08Å; Y91-Y113 HydrophobicContact CG-CE1 4.48Å; Y91-D114 HydrophobicContact CE1-CB 4.48Å; Y91-D114 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D114 PolarHBondContact OH-OD1 2.99Å; Y91-V117 HydrophobicContact CD1-CG2 4.36Å; Y91-V117 HydrophobicContact CE1-CB 4.34Å; Y91-V117 HydrophobicContact CE1-CG2 3.41Å; Y91-V117 VanDerWaalsContact CE1-CG2 3.41Å; Y91-V117 HydrophobicContact CE2-CG2 4.36Å; Y91-V117 VanDerWaalsContact CZ-CG2 3.43Å; Y91-V117 VanDerWaalsContact OH-CB 3.28Å; Y91-V117 WeakPolarHBondContact OH-CB 3.23Å; Y91-V117 VanDerWaalsContact OH-CG2 3.27Å; Y91-V117 WeakPolarHBondContact OH-CG2 3.13Å; Y91-L312 HydrophobicContact CD1-CD2 4.16Å; Y91-Y314 HydrophobicContact CD1-CD1 4.43Å; Y91-Y314 HydrophobicContact CD1-CE1 4.04Å; Y91-Y314 HydrophobicContact CE1-CE1 4.19Å
92	G	86.7	Confident	93.5	Very high	23 Å²	23	59.4 Å²	59.4	24%	0.237	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	64.2	-138.1	-173.8	0	0	0	0	0	112.4	E94 S95 D313	G92-E94 PolarHBondContact O-N 2.84Å; G92-E94 VanDerWaalsContact O-N 3.15Å; G92-S95 WeakPolarHBondContact O-CB 3.45Å; G92-S95 PolarHBondContact O-N 3.12Å; G92-S95 VanDerWaalsContact O-N 3.09Å; G92-S95 PolarHBondContact O-OG 3.5Å; G92-D313 WeakPolarHBondContact CA-OD2 3.43Å
93	E	84.2	Confident	93.4	Very high	108 Å²	108	64.8 Å²	64.8	51%	0.505	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.4	-179.6	-66.9	-167.8	-171.1	0	0	113.4	S95 K96	E93-S95 PolarHBondContact O-N 2.95Å; E93-K96 VanDerWaalsContact O-CD 3.24Å; E93-K96 WeakPolarHBondContact O-CD 3.42Å; E93-K96 WeakPolarHBondContact O-CE 3.3Å; E93-K96 WeakPolarHBondContact O-CG 3.29Å; E93-K96 PolarHBondContact O-N 3.18Å
94	E	86.2	Confident	93.3	Very high	55 Å²	55	70.3 Å²	70.3	26%	0.257	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-68.4	-17.5	179.2	-66.1	-60.1	127.9	0	0	113.1	Y91 G92 K96 L97 Y113 L312	Y91-E94 WeakPolarHBondContact O-CB 3.13Å; Y91-E94 PolarHBondContact O-N 3.44Å; G92-E94 PolarHBondContact O-N 2.84Å; G92-E94 VanDerWaalsContact O-N 3.15Å; E94-K96 PolarHBondContact O-N 3.11Å; E94-L97 WeakPolarHBondContact O-CB 3.18Å; E94-L97 PolarHBondContact O-N 3.21Å; E94-L97 VanDerWaalsContact OE2-CD1 3.31Å; E94-L97 WeakPolarHBondContact OE2-CD1 3.39Å; E94-Y113 HydrophobicContact CB-CE1 4.44Å; E94-Y113 HydrophobicContact CB-CE2 4.45Å; E94-Y113 PolarHBondContact OE2-OH 2.93Å; E94-L312 HydrophobicContact CB-CD2 4.44Å; E94-L312 HydrophobicContact CG-CD2 4.28Å
95	S	90.4	Very high	93.2	Very high	30 Å²	30	69.4 Å²	69.4	21%	0.21	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23.1	178.4	-52.2	0	0	0	0	112.8	G92 E93 L97 I98	G92-S95 WeakPolarHBondContact O-CB 3.45Å; G92-S95 PolarHBondContact O-N 3.12Å; G92-S95 VanDerWaalsContact O-N 3.09Å; G92-S95 PolarHBondContact O-OG 3.5Å; E93-S95 PolarHBondContact O-N 2.95Å; S95-L97 PolarHBondContact O-N 3.46Å; S95-I98 WeakPolarHBondContact O-CD1 3.32Å; S95-I98 WeakPolarHBondContact O-CG1 3.48Å; S95-I98 PolarHBondContact O-N 2.88Å
96	K	92.2	Very high	93.2	Very high	139 Å²	139	65.6 Å²	65.6	60%	0.604	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-67.7	-17.1	176	74.4	-163.6	171.2	-166.8	0	113.7	E93 E94	E93-K96 VanDerWaalsContact O-CD 3.24Å; E93-K96 WeakPolarHBondContact O-CD 3.42Å; E93-K96 WeakPolarHBondContact O-CE 3.3Å; E93-K96 WeakPolarHBondContact O-CG 3.29Å; E93-K96 PolarHBondContact O-N 3.18Å; E94-K96 PolarHBondContact O-N 3.11Å
97	L	93.6	Very high	93.3	Very high	30 Å²	30	72 Å²	72	16%	0.157	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-95.9	7.5	-176.6	-57	-176.3	0	0	0	113	E94 S95 Y113 R142 D143	E94-L97 WeakPolarHBondContact O-CB 3.18Å; E94-L97 PolarHBondContact O-N 3.21Å; E94-L97 VanDerWaalsContact OE2-CD1 3.31Å; E94-L97 WeakPolarHBondContact OE2-CD1 3.39Å; S95-L97 PolarHBondContact O-N 3.46Å; L97-Y113 HydrophobicContact CB-CE2 4.06Å; L97-R142 HydrophobicContact CB-CB 4.32Å; L97-R142 VanDerWaalsContact O-CB 3.26Å; L97-R142 WeakPolarHBondContact O-CB 3.48Å; L97-R142 VanDerWaalsContact O-CG 3.3Å; L97-R142 WeakPolarHBondContact O-CG 3.2Å; L97-R142 PolarHBondContact O-N 3.44Å; L97-D143 WeakPolarHBondContact CD1-OD1 3.27Å
98	I	96.5	Very high	93.4	Very high	16 Å²	16	75 Å²	75	8%	0.082	44%	0.439	C	S	.	.			trans	-70.5	142.7	176.2	-64.6	170.7	0	0	0	110.5	L87 Y91 S95 A110 Y113 R142	L87-I98 HydrophobicContact CB-CD1 3.92Å; L87-I98 HydrophobicContact CD1-CG2 4.24Å; Y91-I98 HydrophobicContact CD2-CD1 4.05Å; Y91-I98 HydrophobicContact CE2-CD1 4.11Å; S95-I98 WeakPolarHBondContact O-CD1 3.32Å; S95-I98 WeakPolarHBondContact O-CG1 3.48Å; S95-I98 PolarHBondContact O-N 2.88Å; I98-A110 HydrophobicContact CG2-CB 3.66Å; I98-Y113 HydrophobicContact CG1-CD2 4.16Å; I98-Y113 HydrophobicContact CG1-CG 4.49Å; I98-R142 WeakPolarHBondContact O-CD 3.22Å
99	Y	97.6	Very high	93.6	Very high	61 Å²	61	74.4 Å²	74.4	24%	0.239	43%	0.428	C	S	.	.			trans	-88.6	107.7	170.7	-86	-82.2	0	0	0	110.4	A110 L111 R142 R153	Y99-A110 CarbonylContact O-C 3.54Å; Y99-A110 VanDerWaalsContact O-CA 3.3Å; Y99-A110 WeakPolarHBondContact O-CA 3.23Å; Y99-L111 HydrophobicContact CG-CD1 4.25Å; Y99-L111 PolarHBondContact O-N 3.35Å; Y99-R142 HydrophobicContact CD1-CG 3.79Å; Y99-R142 HydrophobicContact CD2-CG 3.37Å; Y99-R142 HydrophobicContact CE1-CG 3.71Å; Y99-R142 HydrophobicContact CE2-CB 4.17Å; Y99-R142 HydrophobicContact CE2-CG 3.26Å; Y99-R142 HydrophobicContact CG-CG 3.64Å; Y99-R142 VanDerWaalsContact CZ-CG 3.46Å; Y99-R153 HydrophobicContact CE2-CB 4.47Å; Y99-R153 WeakPolarHBondContact OH-CD 3.26Å; Y99-R153 PolarHBondContact OH-NH1 2.61Å
100	D	97.4	Very high	94.1	Very high	84 Å²	84	71.3 Å²	71.3	45%	0.449	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-78.4	142.5	170.4	-69.5	-22	0	0	0	110.8	K84	K84-D100 WeakPolarHBondContact CE-OD2 3.47Å; K84-D100 IonicContact NZ-OD1 2.73Å; K84-D100 IonicContact NZ-OD2 3.38Å; K84-D100 PolarHBondContact NZ-OD2 3.32Å
101	L	97.5	Very high	94.4	Very high	66 Å²	66	71.2 Å²	71.2	35%	0.346	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-79.1	155	166.6	-86.7	64.6	0	0	0	109.7	F81 D103 L109 L111	F81-L101 HydrophobicContact CD1-CD2 4.17Å; F81-L101 HydrophobicContact CG-CD2 4.48Å; L101-D103 PolarHBondContact O-N 2.95Å; L101-L109 HydrophobicContact CB-CB 4.13Å; L101-L109 HydrophobicContact CD2-CB 3.99Å; L101-L109 HydrophobicContact CD2-CD1 4.16Å; L101-L109 HydrophobicContact CG-CB 4.46Å; L101-L109 PolarHBondContact N-O 3.3Å; L101-L111 HydrophobicContact CD1-CD2 3.79Å; L101-L111 HydrophobicContact CD1-CG 3.89Å
102	Q	96.9	Very high	94.8	Very high	162 Å²	162	72 Å²	72	76%	0.757	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-63.5	137.2	176.3	-174.1	174.7	18.7	0	0	110	Q104	Q102-Q104 PolarHBondContact O-N 2.84Å
103	D	96.2	Very high	95.3	Very high	129 Å²	129	71 Å²	71	69%	0.69	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-65.5	117.6	168.8	-178.9	6.9	0	0	0	109.8	L101 G105	L101-D103 PolarHBondContact O-N 2.95Å; D103-G105 PolarHBondContact OD1-N 3.38Å
104	Q	96.2	Very high	95.9	Very high	172 Å²	172	66 Å²	66	80%	0.804	37%	0.366	S	S	*	.			trans	-116.6	20.3	179.2	-63.9	-180	-58.9	0	0	111.7	Q102	Q102-Q104 PolarHBondContact O-N 2.84Å
105	G	95.1	Very high	96.5	Very high	76 Å²	76	63.4 Å²	63.4	78%	0.784	35%	0.354	S	S	*	.	S	Bend	trans	85.3	4.9	-179.7	0	0	0	0	0	114.9	D103	D103-G105 PolarHBondContact OD1-N 3.38Å
106	G	95.9	Very high	96.9	Very high	62 Å²	62	62.5 Å²	62.5	64%	0.639	35%	0.347	S	S	*	.	S	Bend	trans	-109.3	-146.7	178.5	0	0	0	0	0	113
107	E	97.4	Very high	97.2	Very high	147 Å²	147	55.9 Å²	55.9	69%	0.687	32%	0.319	S	S	*	.			trans	-67.9	142.9	176.5	-61.4	174.6	121.9	0	0	111.2	L83 L109	L83-E107 HydrophobicContact CD2-CB 3.92Å; L83-E107 HydrophobicContact CD2-CG 4.33Å; E107-L109 HydrophobicContact CB-CD2 4.19Å; E107-L109 PolarHBondContact O-N 2.99Å
108	A	97.6	Very high	97.4	Very high	64 Å²	64	54.4 Å²	54.4	53%	0.529	31%	0.311	S	S	.	.			trans	-77.9	115.1	173.8	0	0	0	0	0	109.9	K84	K84-A108 HydrophobicContact CB-CB 4.18Å; K84-A108 WeakPolarHBondContact CB-O 3.32Å; K84-A108 PolarHBondContact N-O 3.31Å
109	L	98.3	Very high	97.5	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.199	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.9	-174.3	-57.6	177.9	0	0	0	111.9	F81 E82 L83 L101 E107	F81-L109 HydrophobicContact CD2-CD1 3.92Å; F81-L109 HydrophobicContact CD2-CD2 4.35Å; F81-L109 HydrophobicContact CE2-CD1 4.02Å; F81-L109 HydrophobicContact CG-CD1 4.41Å; E82-L109 WeakPolarHBondContact O-CA 3.46Å; L83-L109 HydrophobicContact CD2-CD2 3.93Å; L101-L109 HydrophobicContact CB-CB 4.13Å; L101-L109 HydrophobicContact CD2-CB 3.99Å; L101-L109 HydrophobicContact CD2-CD1 4.16Å; L101-L109 HydrophobicContact CG-CB 4.46Å; L101-L109 PolarHBondContact N-O 3.3Å; E107-L109 HydrophobicContact CB-CD2 4.19Å; E107-L109 PolarHBondContact O-N 2.99Å
110	A	98.3	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.5	173.9	0	0	0	0	0	111.2	F81 E82 K84 L87 I98 Y99	F81-A110 CarbonylContact C-O 3.51Å; F81-A110 WeakPolarHBondContact CA-O 3.2Å; F81-A110 WeakPolarHBondContact CB-O 3.33Å; E82-A110 PolarHBondContact N-O 3.21Å; E82-A110 PolarHBondContact O-N 3.43Å; K84-A110 HydrophobicContact CB-CB 4.39Å; L87-A110 HydrophobicContact CD1-CB 3.88Å; I98-A110 HydrophobicContact CG2-CB 3.66Å; Y99-A110 CarbonylContact O-C 3.54Å; Y99-A110 VanDerWaalsContact O-CA 3.3Å; Y99-A110 WeakPolarHBondContact O-CA 3.23Å
111	L	98.5	Very high	97.5	Very high	34 Å²	34	48.3 Å²	48.3	18%	0.178	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141	175.7	-59.8	-179.9	0	0	0	110.4	V80 F81 L87 Y99 L101 Y113 Y140	V80-L111 HydrophobicContact CG1-CD2 4.5Å; V80-L111 HydrophobicContact CG2-CD2 4.43Å; F81-L111 HydrophobicContact CB-CD2 4.34Å; L87-L111 WeakPolarHBondContact CD1-O 3.35Å; Y99-L111 HydrophobicContact CG-CD1 4.25Å; Y99-L111 PolarHBondContact O-N 3.35Å; L101-L111 HydrophobicContact CD1-CD2 3.79Å; L101-L111 HydrophobicContact CD1-CG 3.89Å; L111-Y113 PolarHBondContact O-N 3.33Å; L111-Y140 HydrophobicContact CB-CD2 3.76Å; L111-Y140 HydrophobicContact CB-CG 3.85Å; L111-Y140 HydrophobicContact CD1-CD1 3.75Å; L111-Y140 HydrophobicContact CD1-CD2 4.17Å; L111-Y140 HydrophobicContact CD1-CE1 4.3Å; L111-Y140 HydrophobicContact CD1-CG 3.67Å; L111-Y140 HydrophobicContact CG-CD2 4.41Å; L111-Y140 HydrophobicContact CG-CG 4.33Å
112	R	98.1	Very high	97.6	Very high	15 Å²	15	48 Å²	48	6%	0.057	28%	0.275	C	S	.	.			trans	-61.3	124.7	179.9	68.4	-169.3	-178.5	-168.5	-0.7	111.9	D77 T78 V80 P118 K138 Y140	D77-R112 IonicContact OD1-NH1 3.84Å; T78-R112 PolarHBondContact O-NH1 3.34Å; T78-R112 PolarHBondContact OG1-NH1 3.36Å; V80-R112 PolarHBondContact O-N 3.02Å; V80-R112 VanDerWaalsContact O-N 3.08Å; R112-P118 HydrophobicContact CB-CG 4.03Å; R112-K138 PolarHBondContact NE-O 3.11Å; R112-K138 PolarHBondContact NH2-O 3.18Å; R112-Y140 HydrophobicContact CG-CD2 4.44Å; R112-Y140 PolarHBondContact O-N 3.41Å
113	Y	97.4	Very high	97.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.016	24%	0.239	C	C	.	.	S	Bend	trans	-79.4	-34.4	179.7	-179.7	-85.3	0	0	0	112.4	Y91 E94 L97 I98 L111 R141 L312	Y91-Y113 AromaticContact CD1-CD1 3.85Å; Y91-Y113 HydrophobicContact CD1-CD1 3.85Å; Y91-Y113 HydrophobicContact CD1-CE1 4.29Å; Y91-Y113 HydrophobicContact CD2-CD1 4.32Å; Y91-Y113 HydrophobicContact CD2-CG 4.4Å; Y91-Y113 AromaticContact CE1-CD1 3.81Å; Y91-Y113 HydrophobicContact CE1-CD1 3.81Å; Y91-Y113 HydrophobicContact CE2-CD1 4.28Å; Y91-Y113 HydrophobicContact CE2-CG 4.23Å; Y91-Y113 HydrophobicContact CG-CD1 4.08Å; Y91-Y113 HydrophobicContact CG-CE1 4.48Å; E94-Y113 HydrophobicContact CB-CE1 4.44Å; E94-Y113 HydrophobicContact CB-CE2 4.45Å; E94-Y113 PolarHBondContact OE2-OH 2.93Å; L97-Y113 HydrophobicContact CB-CE2 4.06Å; I98-Y113 HydrophobicContact CG1-CD2 4.16Å; I98-Y113 HydrophobicContact CG1-CG 4.49Å; L111-Y113 PolarHBondContact O-N 3.33Å; Y113-R141 HydrophobicContact CD2-CB 4.36Å; Y113-R141 HydrophobicContact CD2-CG 3.75Å; Y113-R141 HydrophobicContact CE2-CB 4.02Å; Y113-R141 HydrophobicContact CE2-CG 3.58Å; Y113-R141 HydrophobicContact CG-CG 4.29Å; Y113-R141 VanDerWaalsContact CZ-CD 3.48Å; Y113-R141 PolarHBondContact O-NE 2.94Å; Y113-R141 PolarHBondContact O-NH2 3.3Å; Y113-L312 HydrophobicContact CE1-CD2 4.32Å
114	D	97.5	Very high	97.6	Very high	2 Å²	2	35 Å²	35	1%	0.011	21%	0.213	C	C	.	.			trans	-140.9	-173.7	168.6	74.9	9.6	0	0	0	110.7	Y91 T116 V117 P118 Y314	Y91-D114 HydrophobicContact CE1-CB 4.48Å; Y91-D114 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D114 PolarHBondContact OH-OD1 2.99Å; D114-T116 PolarHBondContact OD1-N 3.33Å; D114-T116 VanDerWaalsContact OD1-N 3.07Å; D114-V117 PolarHBondContact OD1-N 3.25Å; D114-P118 WeakPolarHBondContact O-CD 3.44Å; D114-P118 WeakPolarHBondContact O-CG 3.32Å; D114-Y314 PolarHBondContact OD2-OH 2.84Å
115	L	98.4	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-101.2	-13.2	174.4	-51.1	176.3	0	0	0	112.8	F119 Q135 V139 Q157 D159	L115-F119 VanDerWaalsContact O-CB 3.32Å; L115-F119 WeakPolarHBondContact O-CB 3.4Å; L115-F119 PolarHBondContact O-N 3.02Å; L115-Q135 HydrophobicContact CD1-CB 4.26Å; L115-Q135 HydrophobicContact CD1-CG 4.05Å; L115-V139 HydrophobicContact CD2-CG1 3.71Å; L115-V139 HydrophobicContact CG-CG1 3.87Å; L115-Q157 HydrophobicContact CD1-CB 4.02Å; L115-Q157 HydrophobicContact CG-CB 4.45Å; L115-D159 HydrophobicContact CB-CB 4.43Å; L115-D159 WeakPolarHBondContact CB-OD2 3.44Å; L115-D159 HydrophobicContact CD1-CB 4.21Å
116	T	98.4	Very high	97.7	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-44.2	-177.9	-47.9	0	0	0	0	112.4	D114 F119 A120 Y314 Y388 L391	D114-T116 PolarHBondContact OD1-N 3.33Å; D114-T116 VanDerWaalsContact OD1-N 3.07Å; T116-F119 WeakPolarHBondContact O-CB 3.42Å; T116-F119 PolarHBondContact O-N 3.14Å; T116-A120 PolarHBondContact O-N 3Å; T116-Y314 HydrophobicContact CG2-CE2 4.39Å; T116-Y388 HydrophobicContact CG2-CD1 4.19Å; T116-Y388 HydrophobicContact CG2-CD2 4.09Å; T116-Y388 HydrophobicContact CG2-CE1 3.79Å; T116-Y388 HydrophobicContact CG2-CE2 3.68Å; T116-Y388 HydrophobicContact CG2-CG 4.35Å; T116-L391 HydrophobicContact CG2-CD2 4.06Å
117	V	97.9	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-45.7	177.4	176.6	0	0	0	0	112.1	V86 L87 K90 Y91 D114 F119 A120 R121 L391 F395	V86-V117 HydrophobicContact CG1-CG1 4.14Å; L87-V117 HydrophobicContact CD2-CB 4.44Å; L87-V117 HydrophobicContact CD2-CG1 4.01Å; K90-V117 HydrophobicContact CB-CG2 3.91Å; K90-V117 HydrophobicContact CG-CG1 4.16Å; K90-V117 HydrophobicContact CG-CG2 4.38Å; Y91-V117 HydrophobicContact CD1-CG2 4.36Å; Y91-V117 HydrophobicContact CE1-CB 4.34Å; Y91-V117 HydrophobicContact CE1-CG2 3.41Å; Y91-V117 VanDerWaalsContact CE1-CG2 3.41Å; Y91-V117 HydrophobicContact CE2-CG2 4.36Å; Y91-V117 VanDerWaalsContact CZ-CG2 3.43Å; Y91-V117 VanDerWaalsContact OH-CB 3.28Å; Y91-V117 WeakPolarHBondContact OH-CB 3.23Å; Y91-V117 VanDerWaalsContact OH-CG2 3.27Å; Y91-V117 WeakPolarHBondContact OH-CG2 3.13Å; D114-V117 PolarHBondContact OD1-N 3.25Å; V117-F119 PolarHBondContact O-N 3.42Å; V117-A120 PolarHBondContact O-N 3.23Å; V117-R121 PolarHBondContact O-N 3.07Å; V117-L391 HydrophobicContact CG2-CD1 4.48Å; V117-L391 HydrophobicContact CG2-CD2 4.17Å; V117-F395 HydrophobicContact CG1-CE2 4.14Å; V117-F395 HydrophobicContact CG1-CZ 3.71Å
118	P	98.4	Very high	97.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.9	-40.6	168.4	-29.3	35.8	0	0	0	113.2	T78 E82 R112 D114 R121 Y122	T78-P118 HydrophobicContact CG2-CB 4.19Å; E82-P118 HydrophobicContact CG-CG 4.24Å; E82-P118 WeakPolarHBondContact OE1-CB 3.48Å; R112-P118 HydrophobicContact CB-CG 4.03Å; D114-P118 WeakPolarHBondContact O-CD 3.44Å; D114-P118 WeakPolarHBondContact O-CG 3.32Å; P118-R121 PolarHBondContact O-N 2.96Å; P118-R121 PolarHBondContact O-NH2 2.86Å; P118-Y122 WeakPolarHBondContact O-CB 3.47Å; P118-Y122 PolarHBondContact O-N 3.5Å
119	F	98.5	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-44.4	176.3	173.1	-121.7	0	0	0	112.7	I76 L115 T116 V117 R121 Y122 V123 I131 R133 D161 A163	I76-F119 HydrophobicContact CD1-CD2 3.94Å; L115-F119 VanDerWaalsContact O-CB 3.32Å; L115-F119 WeakPolarHBondContact O-CB 3.4Å; L115-F119 PolarHBondContact O-N 3.02Å; T116-F119 WeakPolarHBondContact O-CB 3.42Å; T116-F119 PolarHBondContact O-N 3.14Å; V117-F119 PolarHBondContact O-N 3.42Å; F119-R121 VanDerWaalsContact C-N 3.32Å; F119-R121 PolarHBondContact O-N 3.21Å; F119-Y122 WeakPolarHBondContact O-CA 3.44Å; F119-Y122 VanDerWaalsContact O-CB 3.3Å; F119-Y122 WeakPolarHBondContact O-CB 3.39Å; F119-Y122 PolarHBondContact O-N 3.41Å; F119-V123 HydrophobicContact CD2-CG2 3.94Å; F119-V123 HydrophobicContact CE1-CG2 4.21Å; F119-V123 HydrophobicContact CE2-CG2 3.43Å; F119-V123 VanDerWaalsContact CE2-CG2 3.43Å; F119-V123 HydrophobicContact CZ-CG2 3.6Å; F119-V123 WeakPolarHBondContact O-CG2 3.5Å; F119-V123 PolarHBondContact O-N 2.71Å; F119-I131 HydrophobicContact CE2-CG2 3.89Å; F119-I131 HydrophobicContact CZ-CG2 3.82Å; F119-R133 HydrophobicContact CD2-CG 3.8Å; F119-R133 VanDerWaalsContact CD2-NE 3.3Å; F119-R133 HydrophobicContact CE2-CG 3.39Å; F119-R133 VanDerWaalsContact CG-NE 3.28Å; F119-R133 HydrophobicContact CZ-CG 3.8Å; F119-D161 HydrophobicContact CD1-CB 3.97Å; F119-D161 HydrophobicContact CE1-CB 3.59Å; F119-D161 HydrophobicContact CZ-CB 4.21Å; F119-A163 HydrophobicContact CE1-CB 4.12Å; F119-A163 HydrophobicContact CZ-CB 3.79Å
120	A	98	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-40.5	176.8	0	0	0	0	0	112.3	T116 V117 Y122 V123 A124 L391 V392 F395	T116-A120 PolarHBondContact O-N 3Å; V117-A120 PolarHBondContact O-N 3.23Å; A120-Y122 VanDerWaalsContact C-N 3.34Å; A120-V123 PolarHBondContact O-N 2.98Å; A120-A124 WeakPolarHBondContact O-CB 3.45Å; A120-A124 PolarHBondContact O-N 2.87Å; A120-L391 HydrophobicContact CB-CB 4.21Å; A120-L391 HydrophobicContact CB-CD2 3.68Å; A120-L391 HydrophobicContact CB-CG 3.57Å; A120-V392 HydrophobicContact CB-CG2 4.03Å; A120-F395 HydrophobicContact CB-CD2 3.99Å; A120-F395 HydrophobicContact CB-CE2 3.88Å
121	R	97.7	Very high	97.5	Very high	32 Å²	32	43 Å²	43	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-42.9	170.5	179	-139.8	41.5	62.6	9.5	111	E82 V86 V117 P118 F119 A124 M125 F395	E82-R121 IonicContact OE1-CZ 3.2Å; E82-R121 IonicContact OE1-NE 3.35Å; E82-R121 PolarHBondContact OE1-NE 2.98Å; E82-R121 IonicContact OE1-NH2 2.78Å; E82-R121 PolarHBondContact OE1-NH2 3.45Å; E82-R121 WeakPolarHBondContact OE2-CD 3.38Å; E82-R121 IonicContact OE2-NE 2.76Å; E82-R121 PolarHBondContact OE2-NE 2.8Å; E82-R121 VanDerWaalsContact OE2-NE 3.12Å; V86-R121 HydrophobicContact CG1-CB 4.09Å; V86-R121 HydrophobicContact CG1-CG 4.22Å; V86-R121 HydrophobicContact CG2-CG 4.49Å; V117-R121 PolarHBondContact O-N 3.07Å; P118-R121 PolarHBondContact O-N 2.96Å; P118-R121 PolarHBondContact O-NH2 2.86Å; F119-R121 VanDerWaalsContact C-N 3.32Å; F119-R121 PolarHBondContact O-N 3.21Å; R121-A124 PolarHBondContact O-N 3.08Å; R121-M125 WeakPolarHBondContact O-CB 3.34Å; R121-M125 PolarHBondContact O-N 2.97Å; R121-F395 HydrophobicContact CB-CD1 4.49Å; R121-F395 HydrophobicContact CB-CD2 4.37Å; R121-F395 HydrophobicContact CB-CE2 4.45Å; R121-F395 HydrophobicContact CB-CG 4.39Å
122	Y	98	Very high	97.5	Very high	59 Å²	59	43.8 Å²	43.8	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-49.3	178.1	-177.7	-92.8	0	0	0	112	I76 P118 F119 A120 A124 M125 H126 I128 I131	I76-Y122 HydrophobicContact CD1-CD1 4.14Å; I76-Y122 HydrophobicContact CD1-CE1 4.39Å; I76-Y122 HydrophobicContact CD1-CG 4.35Å; I76-Y122 HydrophobicContact CG2-CE1 4.38Å; P118-Y122 WeakPolarHBondContact O-CB 3.47Å; P118-Y122 PolarHBondContact O-N 3.5Å; F119-Y122 WeakPolarHBondContact O-CA 3.44Å; F119-Y122 VanDerWaalsContact O-CB 3.3Å; F119-Y122 WeakPolarHBondContact O-CB 3.39Å; F119-Y122 PolarHBondContact O-N 3.41Å; A120-Y122 VanDerWaalsContact C-N 3.34Å; Y122-A124 PolarHBondContact O-N 2.75Å; Y122-M125 PolarHBondContact O-N 3.34Å; Y122-H126 AromaticContact CD2-CD2 3.51Å; Y122-H126 AromaticContact CD2-NE2 3.74Å; Y122-H126 AromaticContact CE2-CD2 3.37Å; Y122-H126 WeakPolarHBondContact CE2-CD2 3.44Å; Y122-H126 AromaticContact CE2-NE2 3.43Å; Y122-H126 WeakPolarHBondContact CE2-NE2 3.33Å; Y122-H126 AromaticContact CG-CD2 3.95Å; Y122-H126 AromaticContact CZ-CD2 3.7Å; Y122-H126 PolarHBondContact O-CD2 2.95Å; Y122-H126 VanDerWaalsContact O-CD2 3.29Å; Y122-H126 PolarHBondContact O-N 2.92Å; Y122-H126 VanDerWaalsContact O-N 3.07Å; Y122-I128 HydrophobicContact CD1-CD1 3.78Å; Y122-I128 HydrophobicContact CE1-CD1 3.37Å; Y122-I131 HydrophobicContact CE1-CD1 4.47Å
123	V	97.6	Very high	97.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-47.4	177.6	173.2	0	0	0	0	111	F119 A120 K127 I128 I131 A163 V392 V402	F119-V123 HydrophobicContact CD2-CG2 3.94Å; F119-V123 HydrophobicContact CE1-CG2 4.21Å; F119-V123 HydrophobicContact CE2-CG2 3.43Å; F119-V123 VanDerWaalsContact CE2-CG2 3.43Å; F119-V123 HydrophobicContact CZ-CG2 3.6Å; F119-V123 WeakPolarHBondContact O-CG2 3.5Å; F119-V123 PolarHBondContact O-N 2.71Å; A120-V123 PolarHBondContact O-N 2.98Å; V123-K127 PolarHBondContact O-N 3.45Å; V123-I128 HydrophobicContact CG1-CB 4.13Å; V123-I128 WeakPolarHBondContact CG1-O 3.33Å; V123-I128 PolarHBondContact O-N 3.02Å; V123-I131 HydrophobicContact CG2-CG2 4.18Å; V123-A163 HydrophobicContact CG2-CB 4.4Å; V123-V392 HydrophobicContact CB-CG1 4.29Å; V123-V392 HydrophobicContact CB-CG2 4.19Å; V123-V392 HydrophobicContact CG1-CG1 3.77Å; V123-V392 HydrophobicContact CG1-CG2 4.03Å; V123-V402 HydrophobicContact CG1-CB 4.24Å; V123-V402 HydrophobicContact CG1-CG1 4.19Å; V123-V402 HydrophobicContact CG1-CG2 4.15Å
124	A	97	Very high	97.5	Very high	17 Å²	17	43.7 Å²	43.7	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-48	180	0	0	0	0	0	112.6	A120 R121 Y122 H126 K127 V392 F395	A120-A124 WeakPolarHBondContact O-CB 3.45Å; A120-A124 PolarHBondContact O-N 2.87Å; R121-A124 PolarHBondContact O-N 3.08Å; Y122-A124 PolarHBondContact O-N 2.75Å; A124-H126 VanDerWaalsContact C-N 3.31Å; A124-H126 PolarHBondContact O-N 3.5Å; A124-K127 PolarHBondContact O-N 3.45Å; A124-K127 VanDerWaalsContact O-N 3.17Å; A124-V392 HydrophobicContact CB-CG1 4.08Å; A124-F395 HydrophobicContact CB-CB 3.45Å; A124-F395 VanDerWaalsContact CB-CB 3.45Å
125	M	96.3	Very high	97.6	Very high	118 Å²	118	43.6 Å²	43.6	58%	0.581	21%	0.208	S	C	*	.	H	α-helix	trans	-60.8	-39.9	-177.9	-174.4	175.2	79.7	0	0	112	R121 Y122	R121-M125 WeakPolarHBondContact O-CB 3.34Å; R121-M125 PolarHBondContact O-N 2.97Å; Y122-M125 PolarHBondContact O-N 3.34Å
126	H	96.3	Very high	97.6	Very high	99 Å²	99	45.5 Å²	45.5	46%	0.458	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	4.2	179.8	-67.2	-68.9	0	0	0	114	Y122 A124 I128	Y122-H126 AromaticContact CD2-CD2 3.51Å; Y122-H126 AromaticContact CD2-NE2 3.74Å; Y122-H126 AromaticContact CE2-CD2 3.37Å; Y122-H126 WeakPolarHBondContact CE2-CD2 3.44Å; Y122-H126 AromaticContact CE2-NE2 3.43Å; Y122-H126 WeakPolarHBondContact CE2-NE2 3.33Å; Y122-H126 AromaticContact CG-CD2 3.95Å; Y122-H126 AromaticContact CZ-CD2 3.7Å; Y122-H126 PolarHBondContact O-CD2 2.95Å; Y122-H126 VanDerWaalsContact O-CD2 3.29Å; Y122-H126 PolarHBondContact O-N 2.92Å; Y122-H126 VanDerWaalsContact O-N 3.07Å; A124-H126 VanDerWaalsContact C-N 3.31Å; A124-H126 PolarHBondContact O-N 3.5Å; H126-I128 HydrophobicContact CB-CD1 3.86Å; H126-I128 HydrophobicContact CB-CG1 3.77Å; H126-I128 PolarHBondContact O-N 2.89Å
127	K	95.5	Very high	97.6	Very high	190 Å²	190	45.2 Å²	45.2	83%	0.826	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	39.2	-179	-55.8	179	-179	177.4	0	112.8	V123 A124	V123-K127 PolarHBondContact O-N 3.45Å; A124-K127 PolarHBondContact O-N 3.45Å; A124-K127 VanDerWaalsContact O-N 3.17Å
128	I	96.4	Very high	97.6	Very high	34 Å²	34	47.7 Å²	47.7	17%	0.174	23%	0.227	C	C	.	.			trans	-74.9	127.6	-177.7	-63.9	171.7	0	0	0	109.1	Y122 V123 H126 S130 I131	Y122-I128 HydrophobicContact CD1-CD1 3.78Å; Y122-I128 HydrophobicContact CE1-CD1 3.37Å; V123-I128 HydrophobicContact CG1-CB 4.13Å; V123-I128 WeakPolarHBondContact CG1-O 3.33Å; V123-I128 PolarHBondContact O-N 3.02Å; H126-I128 HydrophobicContact CB-CD1 3.86Å; H126-I128 HydrophobicContact CB-CG1 3.77Å; H126-I128 PolarHBondContact O-N 2.89Å; I128-S130 WeakPolarHBondContact CG2-O 3.5Å; I128-I131 HydrophobicContact CD1-CD1 4.42Å; I128-I131 HydrophobicContact CG2-CB 3.76Å; I128-I131 HydrophobicContact CG2-CG2 3.59Å
129	K	95	Very high	97.5	Very high	184 Å²	184	47.7 Å²	47.7	80%	0.8	23%	0.227	S	C	*	.	S	Bend	trans	-91.2	-32.6	177	-66.2	-172.6	179.2	-176.6	0	113.5	G164	K129-G164 WeakPolarHBondContact O-CA 3.42Å
130	S	97.3	Very high	97.5	Very high	77 Å²	77	49.3 Å²	49.3	54%	0.538	23%	0.234	S	C	.	.			trans	-148.5	130.9	-179.2	-169.4	0	0	0	0	109.1	I128 A163	I128-S130 WeakPolarHBondContact CG2-O 3.5Å; S130-A163 CarbonylContact C-O 3.51Å; S130-A163 WeakPolarHBondContact CA-O 3.28Å
131	I	98.4	Very high	97.4	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.138	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	139	172.6	-177.6	170.3	0	0	0	109.2	V74 F119 Y122 V123 I128 R133 A163	V74-I131 HydrophobicContact CG2-CD1 3.98Å; V74-I131 HydrophobicContact CG2-CG1 4.02Å; F119-I131 HydrophobicContact CE2-CG2 3.89Å; F119-I131 HydrophobicContact CZ-CG2 3.82Å; Y122-I131 HydrophobicContact CE1-CD1 4.47Å; V123-I131 HydrophobicContact CG2-CG2 4.18Å; I128-I131 HydrophobicContact CD1-CD1 4.42Å; I128-I131 HydrophobicContact CG2-CB 3.76Å; I128-I131 HydrophobicContact CG2-CG2 3.59Å; I131-R133 HydrophobicContact CD1-CB 4.28Å; I131-R133 HydrophobicContact CG1-CB 4.26Å; I131-A163 HydrophobicContact CG2-CB 3.9Å; I131-A163 PolarHBondContact N-O 2.81Å; I131-A163 PolarHBondContact O-N 2.87Å
132	K	98.5	Very high	97.2	Very high	49 Å²	49	55.8 Å²	55.8	21%	0.213	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117	166.2	176.2	-175.8	-75.4	-175.1	0	107.6	H71 A73 V74 F160 D161 I162 E174	H71-K132 WeakPolarHBondContact O-CD 3.44Å; H71-K132 PolarHBondContact O-NZ 2.9Å; A73-K132 WeakPolarHBondContact CA-O 3.5Å; A73-K132 HydrophobicContact CB-CD 4.36Å; A73-K132 HydrophobicContact CB-CG 3.95Å; V74-K132 WeakPolarHBondContact CG2-O 3.31Å; V74-K132 PolarHBondContact N-O 3.03Å; K132-F160 HydrophobicContact CD-CE1 4.34Å; K132-F160 HydrophobicContact CD-CE2 4.3Å; K132-F160 HydrophobicContact CD-CZ 3.57Å; K132-F160 HydrophobicContact CG-CE1 4.08Å; K132-F160 HydrophobicContact CG-CE2 4.22Å; K132-F160 HydrophobicContact CG-CZ 3.59Å; K132-D161 CarbonylContact C-O 3.58Å; K132-D161 WeakPolarHBondContact CA-O 3.06Å; K132-I162 HydrophobicContact CG-CG1 4.11Å; K132-E174 WeakPolarHBondContact CE-OE2 3.49Å; K132-E174 IonicContact NZ-OE1 2.78Å; K132-E174 PolarHBondContact NZ-OE1 3.23Å; K132-E174 IonicContact NZ-OE2 2.78Å; K132-E174 PolarHBondContact NZ-OE2 3.47Å
133	R	98.6	Very high	96.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	157.2	-175.5	68.5	83.4	178	161	1.1	112.4	V74 I76 F119 I131 F160 D161	V74-R133 HydrophobicContact CG2-CB 4.22Å; V74-R133 CarbonylContact O-C 3.55Å; V74-R133 WeakPolarHBondContact O-CA 3.38Å; I76-R133 HydrophobicContact CD1-CG 4.23Å; F119-R133 HydrophobicContact CD2-CG 3.8Å; F119-R133 VanDerWaalsContact CD2-NE 3.3Å; F119-R133 HydrophobicContact CE2-CG 3.39Å; F119-R133 VanDerWaalsContact CG-NE 3.28Å; F119-R133 HydrophobicContact CZ-CG 3.8Å; I131-R133 HydrophobicContact CD1-CB 4.28Å; I131-R133 HydrophobicContact CG1-CB 4.26Å; R133-F160 WeakPolarHBondContact O-CA 3.49Å; R133-D161 IonicContact CZ-OD2 2.69Å; R133-D161 PolarHBondContact N-O 2.9Å; R133-D161 IonicContact NE-OD2 2.59Å; R133-D161 IonicContact NH1-OD2 3.75Å; R133-D161 PolarHBondContact NH1-OD2 2.76Å; R133-D161 VanDerWaalsContact NH2-CG 3.27Å; R133-D161 IonicContact NH2-OD1 2.62Å; R133-D161 IonicContact NH2-OD2 2.93Å; R133-D161 PolarHBondContact NH2-OD2 2.84Å; R133-D161 PolarHBondContact O-N 3.12Å
134	Y	98.8	Very high	96	Very high	18 Å²	18	63.5 Å²	63.5	7%	0.071	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.7	156.4	74.7	-86.3	0	0	0	111	I65 F68 K69 A73 V74 T75 I76 I136 D159	I65-Y134 HydrophobicContact CG1-CE2 4.21Å; I65-Y134 HydrophobicContact CG2-CE2 4.47Å; F68-Y134 HydrophobicContact CB-CD1 3.97Å; F68-Y134 HydrophobicContact CB-CG 3.97Å; F68-Y134 HydrophobicContact CD2-CD1 4.43Å; F68-Y134 AromaticContact CD2-CD2 3.75Å; F68-Y134 HydrophobicContact CD2-CD2 3.75Å; F68-Y134 AromaticContact CD2-CG 3.59Å; F68-Y134 HydrophobicContact CD2-CG 3.59Å; F68-Y134 HydrophobicContact CE2-CD2 4.49Å; F68-Y134 HydrophobicContact CE2-CG 4.46Å; F68-Y134 HydrophobicContact CG-CG 4.22Å; K69-Y134 HydrophobicContact CG-CE1 4.34Å; A73-Y134 HydrophobicContact CB-CD1 3.81Å; V74-Y134 WeakPolarHBondContact O-CD1 3.4Å; V74-Y134 PolarHBondContact O-N 3.17Å; T75-Y134 WeakPolarHBondContact CA-O 3.26Å; T75-Y134 VanDerWaalsContact CB-CZ 3.48Å; I76-Y134 PolarHBondContact N-O 3Å; Y134-I136 HydrophobicContact CD2-CG1 4.39Å; Y134-D159 CarbonylContact C-O 3.42Å; Y134-D159 WeakPolarHBondContact CA-O 3.36Å; Y134-D159 WeakPolarHBondContact CB-O 3.45Å
135	Q	98.7	Very high	94.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	129.7	172.7	-173.9	176.2	6.4	0	0	109	I76 D77 T78 L115 D159	I76-Q135 WeakPolarHBondContact O-CG 3.44Å; D77-Q135 PolarHBondContact OD1-NE2 3.19Å; T78-Q135 PolarHBondContact OG1-NE2 3.3Å; L115-Q135 HydrophobicContact CD1-CB 4.26Å; L115-Q135 HydrophobicContact CD1-CG 4.05Å; Q135-D159 PolarHBondContact N-O 2.92Å; Q135-D159 PolarHBondContact O-N 3.38Å
136	I	98.4	Very high	94	Very high	39 Å²	39	60 Å²	60	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.2	172.8	-60.4	-179.7	0	0	0	107.4	F61 I65 Y134 Y156 Q157 C158	F61-I136 HydrophobicContact CD1-CD1 4.32Å; F61-I136 HydrophobicContact CD1-CG2 4.13Å; F61-I136 HydrophobicContact CE1-CG2 3.66Å; F61-I136 HydrophobicContact CE2-CG2 4.2Å; F61-I136 HydrophobicContact CZ-CG2 3.7Å; I65-I136 HydrophobicContact CD1-CD1 3.78Å; I65-I136 HydrophobicContact CG1-CD1 3.43Å; I65-I136 VanDerWaalsContact CG1-CD1 3.43Å; Y134-I136 HydrophobicContact CD2-CG1 4.39Å; I136-Y156 HydrophobicContact CG2-CD1 4.11Å; I136-Q157 WeakPolarHBondContact CA-O 3.29Å; I136-C158 HydrophobicContact CD1-CB 4.5Å; I136-C158 HydrophobicContact CG1-CB 4.05Å
137	G	97.6	Very high	92.7	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	155.8	-174	0	0	0	0	0	113.2	Q157	G137-Q157 PolarHBondContact N-O 2.67Å; G137-Q157 PolarHBondContact O-N 2.96Å
138	K	97.8	Very high	91.2	Very high	52 Å²	52	54 Å²	54	23%	0.226	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	143.6	170.8	-64.2	-179.6	172.3	-163.7	0	111.1	R112 Y140 E154 F155 Y156	R112-K138 PolarHBondContact NE-O 3.11Å; R112-K138 PolarHBondContact NH2-O 3.18Å; K138-Y140 HydrophobicContact CB-CE2 4.49Å; K138-E154 HydrophobicContact CB-CG 4.3Å; K138-E154 HydrophobicContact CD-CG 3.9Å; K138-E154 WeakPolarHBondContact CE-OE1 3.31Å; K138-E154 HydrophobicContact CG-CG 4.44Å; K138-E154 VanDerWaalsContact NZ-CD 3.33Å; K138-E154 IonicContact NZ-OE1 2.76Å; K138-E154 PolarHBondContact NZ-OE1 2.91Å; K138-E154 IonicContact NZ-OE2 3.11Å; K138-E154 PolarHBondContact NZ-OE2 2.76Å; K138-F155 CarbonylContact C-O 3.42Å; K138-F155 VanDerWaalsContact CA-O 3.28Å; K138-F155 WeakPolarHBondContact CA-O 3.48Å; K138-Y156 HydrophobicContact CD-CE2 4.31Å; K138-Y156 WeakPolarHBondContact CE-OH 3.39Å; K138-Y156 HydrophobicContact CG-CD1 4Å; K138-Y156 HydrophobicContact CG-CD2 4.1Å; K138-Y156 HydrophobicContact CG-CE1 3.73Å; K138-Y156 HydrophobicContact CG-CE2 3.82Å; K138-Y156 HydrophobicContact CG-CG 4.18Å
139	V	97.9	Very high	89.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	160	173.9	-57.4	0	0	0	0	110.8	L115 E154 F155 Q157	L115-V139 HydrophobicContact CD2-CG1 3.71Å; L115-V139 HydrophobicContact CG-CG1 3.87Å; V139-E154 WeakPolarHBondContact O-CA 3.41Å; V139-F155 HydrophobicContact CG2-CD2 3.82Å; V139-F155 HydrophobicContact CG2-CE1 4.19Å; V139-F155 HydrophobicContact CG2-CE2 3.43Å; V139-F155 VanDerWaalsContact CG2-CE2 3.43Å; V139-F155 HydrophobicContact CG2-CG 4.35Å; V139-F155 HydrophobicContact CG2-CZ 3.65Å; V139-F155 PolarHBondContact N-O 3.3Å; V139-F155 PolarHBondContact O-N 2.82Å; V139-Q157 HydrophobicContact CG1-CB 4.42Å; V139-Q157 HydrophobicContact CG1-CG 4.29Å; V139-Q157 VanDerWaalsContact CG1-OE1 3.31Å; V139-Q157 HydrophobicContact CG2-CG 3.84Å
140	Y	97.9	Very high	88.7	Confident	35 Å²	35	47.9 Å²	47.9	14%	0.137	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.1	-165.7	-54.6	-91.8	0	0	0	111.6	V80 L111 R112 K138 R153 E154	V80-Y140 HydrophobicContact CG2-CD2 4.43Å; V80-Y140 HydrophobicContact CG2-CE2 3.35Å; V80-Y140 VanDerWaalsContact CG2-OH 3.23Å; V80-Y140 WeakPolarHBondContact CG2-OH 3.43Å; L111-Y140 HydrophobicContact CB-CD2 3.76Å; L111-Y140 HydrophobicContact CB-CG 3.85Å; L111-Y140 HydrophobicContact CD1-CD1 3.75Å; L111-Y140 HydrophobicContact CD1-CD2 4.17Å; L111-Y140 HydrophobicContact CD1-CE1 4.3Å; L111-Y140 HydrophobicContact CD1-CG 3.67Å; L111-Y140 HydrophobicContact CG-CD2 4.41Å; L111-Y140 HydrophobicContact CG-CG 4.33Å; R112-Y140 HydrophobicContact CG-CD2 4.44Å; R112-Y140 PolarHBondContact O-N 3.41Å; K138-Y140 HydrophobicContact CB-CE2 4.49Å; Y140-R153 CarbonylContact C-O 3.58Å; Y140-R153 VanDerWaalsContact CA-O 3.3Å; Y140-R153 WeakPolarHBondContact CA-O 3.38Å; Y140-E154 HydrophobicContact CD1-CB 4.31Å; Y140-E154 HydrophobicContact CD1-CG 4.22Å; Y140-E154 HydrophobicContact CE1-CB 4.32Å; Y140-E154 HydrophobicContact CE1-CG 3.79Å
141	R	95.7	Very high	87.6	Confident	42 Å²	42	48.3 Å²	48.3	16%	0.158	23%	0.228	C	C	.	.			trans	-131	131.4	-179.1	-53.1	-170.2	-178.3	176.6	4.8	110.3	Y113 D143 R153 F155	Y113-R141 HydrophobicContact CD2-CB 4.36Å; Y113-R141 HydrophobicContact CD2-CG 3.75Å; Y113-R141 HydrophobicContact CE2-CB 4.02Å; Y113-R141 HydrophobicContact CE2-CG 3.58Å; Y113-R141 HydrophobicContact CG-CG 4.29Å; Y113-R141 VanDerWaalsContact CZ-CD 3.48Å; Y113-R141 PolarHBondContact O-NE 2.94Å; Y113-R141 PolarHBondContact O-NH2 3.3Å; R141-D143 WeakPolarHBondContact CB-OD2 3.21Å; R141-D143 PolarHBondContact O-N 2.91Å; R141-R153 PolarHBondContact N-O 3.23Å; R141-R153 VanDerWaalsContact O-CA 3.22Å; R141-R153 WeakPolarHBondContact O-CA 3.42Å; R141-R153 VanDerWaalsContact O-CB 3.24Å; R141-R153 WeakPolarHBondContact O-CB 3.41Å; R141-R153 VanDerWaalsContact O-CG 3.28Å; R141-R153 WeakPolarHBondContact O-CG 3.42Å; R141-F155 HydrophobicContact CB-CE1 4.42Å; R141-F155 HydrophobicContact CG-CE1 4.07Å; R141-F155 HydrophobicContact CG-CZ 4.17Å
142	R	94	Very high	87	Confident	126 Å²	126	48 Å²	48	48%	0.475	23%	0.225	S	C	.	.			trans	-77.9	31.3	178.6	-66.6	179.6	64.3	-160.9	-3.1	113.2	L97 I98 Y99 R153	L97-R142 HydrophobicContact CB-CB 4.32Å; L97-R142 VanDerWaalsContact O-CB 3.26Å; L97-R142 WeakPolarHBondContact O-CB 3.48Å; L97-R142 VanDerWaalsContact O-CG 3.3Å; L97-R142 WeakPolarHBondContact O-CG 3.2Å; L97-R142 PolarHBondContact O-N 3.44Å; I98-R142 WeakPolarHBondContact O-CD 3.22Å; Y99-R142 HydrophobicContact CD1-CG 3.79Å; Y99-R142 HydrophobicContact CD2-CG 3.37Å; Y99-R142 HydrophobicContact CE1-CG 3.71Å; Y99-R142 HydrophobicContact CE2-CB 4.17Å; Y99-R142 HydrophobicContact CE2-CG 3.26Å; Y99-R142 HydrophobicContact CG-CG 3.64Å; Y99-R142 VanDerWaalsContact CZ-CG 3.46Å; R142-R153 PolarHBondContact O-NH2 2.96Å
143	D	86	Confident	86.9	Confident	52 Å²	52	48 Å²	48	28%	0.278	22%	0.224	S	C	.	.			trans	-56.8	164	178.7	-85.2	-49.1	0	0	0	112.9	L97 R141 P145 R153	L97-D143 WeakPolarHBondContact CD1-OD1 3.27Å; R141-D143 WeakPolarHBondContact CB-OD2 3.21Å; R141-D143 PolarHBondContact O-N 2.91Å; D143-P145 VanDerWaalsContact O-CD 3.28Å; D143-P145 WeakPolarHBondContact O-CD 3.09Å; D143-R153 PolarHBondContact O-NE 3.1Å; D143-R153 PolarHBondContact O-NH2 2.82Å; D143-R153 VanDerWaalsContact O-NH2 3.12Å
144	Q	82.9	Confident	86.7	Confident	170 Å²	170	49.9 Å²	49.9	79%	0.794	23%	0.233	S	C	*	.			trans	-83.5	106.2	164.8	-157.7	168.5	5.3	0	0	107.5
145	P	74.3	Confident	86.6	Confident	30 Å²	30	50.4 Å²	50.4	20%	0.195	24%	0.236	C	C	.	.			trans	-68.6	139	-170.7	28.4	-34.5	0	0	0	110.7	K44 D143 M147 R151	K44-P145 HydrophobicContact CG-CG 4.19Å; D143-P145 VanDerWaalsContact O-CD 3.28Å; D143-P145 WeakPolarHBondContact O-CD 3.09Å; P145-M147 HydrophobicContact CB-SD 4.39Å; P145-R151 CarbonylContact C-O 3.52Å; P145-R151 VanDerWaalsContact CA-O 3.24Å; P145-R151 WeakPolarHBondContact CA-O 3.47Å; P145-R151 WeakPolarHBondContact CB-O 3.28Å
146	A	77.3	Confident	86.5	Confident	30 Å²	30	52.9 Å²	52.9	25%	0.248	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-124.2	87.8	170.6	0	0	0	0	0	107	T148 R149 G150 R151	A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 3.19Å; A146-R149 HydrophobicContact CB-CB 4.39Å; A146-R149 CarbonylContact O-C 3.56Å; A146-R149 PolarHBondContact O-N 3.46Å; A146-G150 PolarHBondContact O-N 3.26Å; A146-R151 HydrophobicContact CB-CB 4.23Å; A146-R151 PolarHBondContact N-O 3.47Å; A146-R151 PolarHBondContact O-N 3.44Å; A146-R151 VanDerWaalsContact O-N 3.1Å
147	M	69	Low	86.5	Confident	89 Å²	89	52 Å²	52	44%	0.438	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.5	-37.8	-167.3	-58.3	-70.7	-85.1	0	0	112	P145 R149 G150 Y152	P145-M147 HydrophobicContact CB-SD 4.39Å; M147-R149 PolarHBondContact O-N 3.16Å; M147-G150 PolarHBondContact O-N 3.14Å; M147-G150 VanDerWaalsContact O-N 3.16Å; M147-Y152 HydrophobicContact CE-CD1 3.82Å; M147-Y152 HydrophobicContact CE-CE1 3.29Å; M147-Y152 HydrophobicContact SD-CD1 3.42Å; M147-Y152 WeakPolarHBondContact SD-CD1 3.45Å; M147-Y152 HydrophobicContact SD-CE1 3.29Å; M147-Y152 WeakPolarHBondContact SD-CE1 3.37Å; M147-Y152 HydrophobicContact SD-CG 4.45Å
148	T	64.7	Low	86.5	Confident	76 Å²	76	51.7 Å²	51.7	47%	0.466	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22.3	176.4	51.4	0	0	0	0	113.3	A146 V371	A146-T148 VanDerWaalsContact C-N 3.29Å; A146-T148 PolarHBondContact O-N 3.19Å; T148-V371 HydrophobicContact CG2-CG1 4.41Å
149	R	67.1	Low	86.6	Confident	82 Å²	82	49.3 Å²	49.3	31%	0.309	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-107.4	14.3	179.9	-55.3	-172.9	-169.5	175.3	6.4	112.7	A146 M147 R151 E375	A146-R149 HydrophobicContact CB-CB 4.39Å; A146-R149 CarbonylContact O-C 3.56Å; A146-R149 PolarHBondContact O-N 3.46Å; M147-R149 PolarHBondContact O-N 3.16Å; R149-R151 VanDerWaalsContact C-N 3.27Å; R149-R151 PolarHBondContact O-N 3.16Å; R149-E375 IonicContact CZ-OE2 2.95Å; R149-E375 IonicContact NE-OE2 3.52Å; R149-E375 IonicContact NH2-OE1 3.46Å; R149-E375 IonicContact NH2-OE2 3.82Å; R149-E375 PolarHBondContact NH2-OE2 3.12Å
150	G	71	Confident	86.6	Confident	6 Å²	6	49.3 Å²	49.3	6%	0.062	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	21.7	179.2	0	0	0	0	0	114.8	A146 M147 Y152	A146-G150 PolarHBondContact O-N 3.26Å; M147-G150 PolarHBondContact O-N 3.14Å; M147-G150 VanDerWaalsContact O-N 3.16Å; G150-Y152 WeakPolarHBondContact O-CD2 3.44Å
151	R	75.8	Confident	86.6	Confident	87 Å²	87	47.7 Å²	47.7	33%	0.328	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-96.6	105	177.9	-66.5	-173.6	-171.6	171.8	2.1	110.4	P145 A146 R149	P145-R151 CarbonylContact C-O 3.52Å; P145-R151 VanDerWaalsContact CA-O 3.24Å; P145-R151 WeakPolarHBondContact CA-O 3.47Å; P145-R151 WeakPolarHBondContact CB-O 3.28Å; A146-R151 HydrophobicContact CB-CB 4.23Å; A146-R151 PolarHBondContact N-O 3.47Å; A146-R151 PolarHBondContact O-N 3.44Å; A146-R151 VanDerWaalsContact O-N 3.1Å; R149-R151 VanDerWaalsContact C-N 3.27Å; R149-R151 PolarHBondContact O-N 3.16Å
152	Y	86	Confident	86.8	Confident	19 Å²	19	46 Å²	46	8%	0.075	22%	0.215	C	C	.	.			trans	-113.8	167.7	-179	-62.1	-90.9	0	0	0	110.8	G45 R47 M147 G150 E154 F155 E412	G45-Y152 WeakPolarHBondContact O-CB 3.37Å; R47-Y152 HydrophobicContact CG-CE1 4.26Å; R47-Y152 VanDerWaalsContact CZ-OH 3.26Å; R47-Y152 PolarHBondContact NH1-OH 2.71Å; M147-Y152 HydrophobicContact CE-CD1 3.82Å; M147-Y152 HydrophobicContact CE-CE1 3.29Å; M147-Y152 HydrophobicContact SD-CD1 3.42Å; M147-Y152 WeakPolarHBondContact SD-CD1 3.45Å; M147-Y152 HydrophobicContact SD-CE1 3.29Å; M147-Y152 WeakPolarHBondContact SD-CE1 3.37Å; M147-Y152 HydrophobicContact SD-CG 4.45Å; G150-Y152 WeakPolarHBondContact O-CD2 3.44Å; Y152-E154 VanDerWaalsContact CB-O 3.29Å; Y152-E154 WeakPolarHBondContact CB-O 3.5Å; Y152-F155 VanDerWaalsContact O-CD1 3.29Å; Y152-F155 WeakPolarHBondContact O-CD1 3.4Å; Y152-F155 WeakPolarHBondContact O-CE1 3.31Å; Y152-E412 HydrophobicContact CD2-CB 3.85Å; Y152-E412 HydrophobicContact CD2-CG 3.7Å; Y152-E412 HydrophobicContact CE2-CB 3.84Å; Y152-E412 HydrophobicContact CE2-CG 4.06Å
153	R	94.8	Very high	87	Confident	50 Å²	50	40 Å²	40	19%	0.189	19%	0.192	C	C	.	.	S	Bend	trans	-88.6	-27.6	172.1	-67.6	-157.8	174.9	-179.3	-11	113.3	K44 G45 Y99 Y140 R141 R142 D143	K44-R153 WeakPolarHBondContact O-CD 3.37Å; G45-R153 PolarHBondContact O-N 3.42Å; Y99-R153 HydrophobicContact CE2-CB 4.47Å; Y99-R153 WeakPolarHBondContact OH-CD 3.26Å; Y99-R153 PolarHBondContact OH-NH1 2.61Å; Y140-R153 CarbonylContact C-O 3.58Å; Y140-R153 VanDerWaalsContact CA-O 3.3Å; Y140-R153 WeakPolarHBondContact CA-O 3.38Å; R141-R153 PolarHBondContact N-O 3.23Å; R141-R153 VanDerWaalsContact O-CA 3.22Å; R141-R153 WeakPolarHBondContact O-CA 3.42Å; R141-R153 VanDerWaalsContact O-CB 3.24Å; R141-R153 WeakPolarHBondContact O-CB 3.41Å; R141-R153 VanDerWaalsContact O-CG 3.28Å; R141-R153 WeakPolarHBondContact O-CG 3.42Å; R142-R153 PolarHBondContact O-NH2 2.96Å; D143-R153 PolarHBondContact O-NE 3.1Å; D143-R153 PolarHBondContact O-NH2 2.82Å; D143-R153 VanDerWaalsContact O-NH2 3.12Å
154	E	96	Very high	87.5	Confident	40 Å²	40	37.7 Å²	37.7	19%	0.187	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.6	168	-179.7	-162.1	88.5	0	0	107.3	G45 T46 K138 V139 Y140 Y152	G45-E154 PolarHBondContact O-N 3.18Å; T46-E154 HydrophobicContact CG2-CB 3.69Å; K138-E154 HydrophobicContact CB-CG 4.3Å; K138-E154 HydrophobicContact CD-CG 3.9Å; K138-E154 WeakPolarHBondContact CE-OE1 3.31Å; K138-E154 HydrophobicContact CG-CG 4.44Å; K138-E154 VanDerWaalsContact NZ-CD 3.33Å; K138-E154 IonicContact NZ-OE1 2.76Å; K138-E154 PolarHBondContact NZ-OE1 2.91Å; K138-E154 IonicContact NZ-OE2 3.11Å; K138-E154 PolarHBondContact NZ-OE2 2.76Å; V139-E154 WeakPolarHBondContact O-CA 3.41Å; Y140-E154 HydrophobicContact CD1-CB 4.31Å; Y140-E154 HydrophobicContact CD1-CG 4.22Å; Y140-E154 HydrophobicContact CE1-CB 4.32Å; Y140-E154 HydrophobicContact CE1-CG 3.79Å; Y152-E154 VanDerWaalsContact CB-O 3.29Å; Y152-E154 WeakPolarHBondContact CB-O 3.5Å
155	F	95.2	Very high	88.1	Confident	29 Å²	29	36.6 Å²	36.6	13%	0.127	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.4	177.7	54.7	-88.2	0	0	0	111.6	K138 V139 R141 Y152 Q157 E412	K138-F155 CarbonylContact C-O 3.42Å; K138-F155 VanDerWaalsContact CA-O 3.28Å; K138-F155 WeakPolarHBondContact CA-O 3.48Å; V139-F155 HydrophobicContact CG2-CD2 3.82Å; V139-F155 HydrophobicContact CG2-CE1 4.19Å; V139-F155 HydrophobicContact CG2-CE2 3.43Å; V139-F155 VanDerWaalsContact CG2-CE2 3.43Å; V139-F155 HydrophobicContact CG2-CG 4.35Å; V139-F155 HydrophobicContact CG2-CZ 3.65Å; V139-F155 PolarHBondContact N-O 3.3Å; V139-F155 PolarHBondContact O-N 2.82Å; R141-F155 HydrophobicContact CB-CE1 4.42Å; R141-F155 HydrophobicContact CG-CE1 4.07Å; R141-F155 HydrophobicContact CG-CZ 4.17Å; Y152-F155 VanDerWaalsContact O-CD1 3.29Å; Y152-F155 WeakPolarHBondContact O-CD1 3.4Å; Y152-F155 WeakPolarHBondContact O-CE1 3.31Å; F155-Q157 HydrophobicContact CD2-CG 4.28Å; F155-Q157 HydrophobicContact CE2-CG 3.99Å; F155-E412 HydrophobicContact CB-CG 3.43Å; F155-E412 VanDerWaalsContact CB-CG 3.43Å
156	Y	97	Very high	89	Confident	51 Å²	51	39.1 Å²	39.1	20%	0.2	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	138.9	174.9	-79.9	-85.1	0	0	0	112.4	L57 F61 I136 K138 V411	L57-Y156 HydrophobicContact CD2-CE2 4.29Å; F61-Y156 HydrophobicContact CE1-CG 4.5Å; F61-Y156 HydrophobicContact CE2-CD1 4.48Å; F61-Y156 HydrophobicContact CE2-CE1 4.35Å; F61-Y156 AromaticContact CZ-CD1 3.68Å; F61-Y156 HydrophobicContact CZ-CD1 3.68Å; F61-Y156 HydrophobicContact CZ-CD2 4.17Å; F61-Y156 AromaticContact CZ-CE1 3.98Å; F61-Y156 HydrophobicContact CZ-CE1 3.98Å; F61-Y156 HydrophobicContact CZ-CE2 4.45Å; F61-Y156 AromaticContact CZ-CG 3.77Å; F61-Y156 HydrophobicContact CZ-CG 3.77Å; I136-Y156 HydrophobicContact CG2-CD1 4.11Å; K138-Y156 HydrophobicContact CD-CE2 4.31Å; K138-Y156 WeakPolarHBondContact CE-OH 3.39Å; K138-Y156 HydrophobicContact CG-CD1 4Å; K138-Y156 HydrophobicContact CG-CD2 4.1Å; K138-Y156 HydrophobicContact CG-CE1 3.73Å; K138-Y156 HydrophobicContact CG-CE2 3.82Å; K138-Y156 HydrophobicContact CG-CG 4.18Å; Y156-V411 PolarHBondContact O-N 2.61Å
157	Q	97.9	Very high	89.8	Confident	20 Å²	20	39.8 Å²	39.8	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	161.5	-74.4	-165.4	-74.7	0	0	109.2	L115 I136 G137 V139 F155 D159 S408	L115-Q157 HydrophobicContact CD1-CB 4.02Å; L115-Q157 HydrophobicContact CG-CB 4.45Å; I136-Q157 WeakPolarHBondContact CA-O 3.29Å; G137-Q157 PolarHBondContact N-O 2.67Å; G137-Q157 PolarHBondContact O-N 2.96Å; V139-Q157 HydrophobicContact CG1-CB 4.42Å; V139-Q157 HydrophobicContact CG1-CG 4.29Å; V139-Q157 VanDerWaalsContact CG1-OE1 3.31Å; V139-Q157 HydrophobicContact CG2-CG 3.84Å; F155-Q157 HydrophobicContact CD2-CG 4.28Å; F155-Q157 HydrophobicContact CE2-CG 3.99Å; Q157-D159 WeakPolarHBondContact CB-OD1 3.31Å; Q157-S408 WeakPolarHBondContact CB-OG 3.49Å; Q157-S408 WeakPolarHBondContact CG-OG 3.28Å; Q157-S408 PolarHBondContact NE2-OG 3.23Å
158	C	98.5	Very high	91.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	100.4	168.7	-59.5	0	0	0	0	108.5	I64 F68 I136 S408 F409 V411	I64-C158 HydrophobicContact CD1-CB 4.21Å; I64-C158 HydrophobicContact CG2-CB 3.96Å; F68-C158 HydrophobicContact CE2-CB 4.26Å; F68-C158 HydrophobicContact CZ-CB 4.46Å; I136-C158 HydrophobicContact CD1-CB 4.5Å; I136-C158 HydrophobicContact CG1-CB 4.05Å; C158-S408 WeakPolarHBondContact O-CA 3.47Å; C158-F409 HydrophobicContact CB-CB 4.22Å; C158-F409 PolarHBondContact N-O 3.41Å; C158-F409 PolarHBondContact O-N 3.03Å; C158-V411 HydrophobicContact CB-CG2 4.48Å; C158-V411 WeakPolarHBondContact SG-CG2 3.26Å
159	D	98.8	Very high	92.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.6	-173.2	-76.4	32.4	0	0	0	111.2	L115 Y134 Q135 Q157 F407 S408	L115-D159 HydrophobicContact CB-CB 4.43Å; L115-D159 WeakPolarHBondContact CB-OD2 3.44Å; L115-D159 HydrophobicContact CD1-CB 4.21Å; Y134-D159 CarbonylContact C-O 3.42Å; Y134-D159 WeakPolarHBondContact CA-O 3.36Å; Y134-D159 WeakPolarHBondContact CB-O 3.45Å; Q135-D159 PolarHBondContact N-O 2.92Å; Q135-D159 PolarHBondContact O-N 3.38Å; Q157-D159 WeakPolarHBondContact CB-OD1 3.31Å; D159-F407 CarbonylContact C-O 3.57Å; D159-F407 VanDerWaalsContact CA-O 3.22Å; D159-F407 WeakPolarHBondContact CA-O 3.45Å; D159-S408 WeakPolarHBondContact OD1-CB 3.32Å; D159-S408 PolarHBondContact OD1-OG 3.46Å
160	F	98.8	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.5	169.4	-179.6	-74.7	0	0	0	108.9	F68 H71 A73 K132 R133 I162 I178 G406 F407	F68-F160 HydrophobicContact CB-CD2 4.13Å; F68-F160 HydrophobicContact CD1-CB 4.19Å; F68-F160 AromaticContact CD1-CD2 3.71Å; F68-F160 HydrophobicContact CD1-CD2 3.71Å; F68-F160 HydrophobicContact CD1-CG 4.34Å; F68-F160 HydrophobicContact CE1-CB 3.82Å; F68-F160 HydrophobicContact CE1-CD2 4.21Å; F68-F160 HydrophobicContact CE1-CG 4.4Å; F68-F160 HydrophobicContact CE2-CB 4.31Å; F68-F160 AromaticContact CG-CD2 3.9Å; F68-F160 HydrophobicContact CG-CD2 3.9Å; F68-F160 HydrophobicContact CZ-CB 3.85Å; H71-F160 HydrophobicContact CB-CE2 3.99Å; H71-F160 HydrophobicContact CB-CZ 4.03Å; A73-F160 HydrophobicContact CB-CD2 3.83Å; A73-F160 HydrophobicContact CB-CE2 3.37Å; A73-F160 HydrophobicContact CB-CZ 4.18Å; K132-F160 HydrophobicContact CD-CE1 4.34Å; K132-F160 HydrophobicContact CD-CE2 4.3Å; K132-F160 HydrophobicContact CD-CZ 3.57Å; K132-F160 HydrophobicContact CG-CE1 4.08Å; K132-F160 HydrophobicContact CG-CE2 4.22Å; K132-F160 HydrophobicContact CG-CZ 3.59Å; R133-F160 WeakPolarHBondContact O-CA 3.49Å; F160-I162 HydrophobicContact CD1-CG1 4.43Å; F160-I162 HydrophobicContact CE1-CD1 3.94Å; F160-I162 HydrophobicContact CE1-CG1 3.65Å; F160-I162 HydrophobicContact CZ-CG1 4.47Å; F160-I178 HydrophobicContact CD1-CD1 3.74Å; F160-I178 HydrophobicContact CD2-CD1 4.1Å; F160-I178 HydrophobicContact CE1-CD1 3.27Å; F160-I178 HydrophobicContact CE2-CD1 3.63Å; F160-I178 HydrophobicContact CG-CD1 4.13Å; F160-I178 HydrophobicContact CZ-CD1 3.19Å; F160-G406 CarbonylContact O-C 3.45Å; F160-G406 WeakPolarHBondContact O-CA 3.09Å; F160-F407 HydrophobicContact CB-CD1 4.38Å; F160-F407 HydrophobicContact CB-CE1 3.74Å; F160-F407 HydrophobicContact CB-CE2 4.2Å; F160-F407 HydrophobicContact CB-CZ 3.62Å; F160-F407 AromaticContact CD1-CE1 3.9Å; F160-F407 HydrophobicContact CD1-CE1 3.9Å; F160-F407 HydrophobicContact CD1-CZ 4.48Å; F160-F407 HydrophobicContact CG-CE1 4.05Å; F160-F407 HydrophobicContact CG-CZ 4.18Å; F160-F407 PolarHBondContact N-O 2.84Å; F160-F407 PolarHBondContact O-N 2.69Å
161	D	98.8	Very high	95.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	138.1	-171.9	-63.4	-102.4	0	0	0	111.4	F119 K132 R133 Y388 V405 G406	F119-D161 HydrophobicContact CD1-CB 3.97Å; F119-D161 HydrophobicContact CE1-CB 3.59Å; F119-D161 HydrophobicContact CZ-CB 4.21Å; K132-D161 CarbonylContact C-O 3.58Å; K132-D161 WeakPolarHBondContact CA-O 3.06Å; R133-D161 IonicContact CZ-OD2 2.69Å; R133-D161 PolarHBondContact N-O 2.9Å; R133-D161 IonicContact NE-OD2 2.59Å; R133-D161 IonicContact NH1-OD2 3.75Å; R133-D161 PolarHBondContact NH1-OD2 2.76Å; R133-D161 VanDerWaalsContact NH2-CG 3.27Å; R133-D161 IonicContact NH2-OD1 2.62Å; R133-D161 IonicContact NH2-OD2 2.93Å; R133-D161 PolarHBondContact NH2-OD2 2.84Å; R133-D161 PolarHBondContact O-N 3.12Å; D161-Y388 PolarHBondContact OD1-OH 3.02Å; D161-V405 WeakPolarHBondContact CA-O 3.49Å; D161-G406 WeakPolarHBondContact OD1-CA 3.04Å
162	I	98.7	Very high	96.5	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.5	174.5	-54.1	173.3	0	0	0	107	K132 F160 H166 A171 E174 C404 V405	K132-I162 HydrophobicContact CG-CG1 4.11Å; F160-I162 HydrophobicContact CD1-CG1 4.43Å; F160-I162 HydrophobicContact CE1-CD1 3.94Å; F160-I162 HydrophobicContact CE1-CG1 3.65Å; F160-I162 HydrophobicContact CZ-CG1 4.47Å; I162-H166 WeakPolarHBondContact CG2-NE2 3.37Å; I162-A171 HydrophobicContact CB-CB 4.23Å; I162-A171 HydrophobicContact CD1-CB 3.86Å; I162-A171 HydrophobicContact CG2-CB 3.99Å; I162-E174 HydrophobicContact CD1-CB 4.34Å; I162-E174 WeakPolarHBondContact CD1-OE2 3.03Å; I162-C404 VanDerWaalsContact O-CA 3.32Å; I162-C404 WeakPolarHBondContact O-CA 3.45Å; I162-V405 HydrophobicContact CB-CG1 4.24Å; I162-V405 PolarHBondContact N-O 3.37Å; I162-V405 PolarHBondContact O-N 3.34Å
163	A	98.5	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131	171	0	0	0	0	0	109	F119 V123 S130 I131 V402 P403 C404	F119-A163 HydrophobicContact CE1-CB 4.12Å; F119-A163 HydrophobicContact CZ-CB 3.79Å; V123-A163 HydrophobicContact CG2-CB 4.4Å; S130-A163 CarbonylContact C-O 3.51Å; S130-A163 WeakPolarHBondContact CA-O 3.28Å; I131-A163 HydrophobicContact CG2-CB 3.9Å; I131-A163 PolarHBondContact N-O 2.81Å; I131-A163 PolarHBondContact O-N 2.87Å; A163-V402 HydrophobicContact CB-CG1 4.04Å; A163-P403 CarbonylContact C-O 3.59Å; A163-P403 WeakPolarHBondContact CA-O 3.19Å; A163-C404 WeakPolarHBondContact CB-SG 3.41Å
164	G	97.1	Very high	97.3	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	150.8	160.4	179.9	0	0	0	0	0	113.2	K129 H166 P403	K129-G164 WeakPolarHBondContact O-CA 3.42Å; G164-H166 PolarHBondContact O-CD2 3.38Å; G164-P403 PolarHBondContact N-O 2.84Å
165	D	94.3	Very high	97.4	Very high	147 Å²	147	30 Å²	30	79%	0.786	16%	0.161	S	C	*	.			trans	-84.3	111.9	171.3	-168.5	16.7	0	0	0	109.1
166	H	93.3	Very high	97.6	Very high	83 Å²	83	28.6 Å²	28.6	38%	0.384	16%	0.155	S	C	.	.			trans	-131	168	-173	-60.7	-51.2	0	0	0	110.1	I162 G164	I162-H166 WeakPolarHBondContact CG2-NE2 3.37Å; G164-H166 PolarHBondContact O-CD2 3.38Å
167	G	94.4	Very high	97.7	Very high	43 Å²	43	29.3 Å²	29.3	44%	0.443	16%	0.158	S	C	.	.	S	Bend	trans	-56.3	142.2	172.2	0	0	0	0	0	111.5	M169 L170	G167-M169 PolarHBondContact O-N 3.32Å; G167-L170 PolarHBondContact O-N 3.21Å
168	L	96.7	Very high	97.7	Very high	91 Å²	91	28.4 Å²	28.4	48%	0.476	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.2	-175.2	-173.8	63.6	0	0	0	111.2	L170 E285 L288 Y292	L168-L170 PolarHBondContact O-N 3.1Å; L168-E285 HydrophobicContact CD1-CG 4.23Å; L168-E285 HydrophobicContact CD2-CG 4.32Å; L168-L288 HydrophobicContact CB-CD2 4.18Å; L168-L288 HydrophobicContact CD2-CD2 3.89Å; L168-L288 HydrophobicContact CG-CD2 4Å; L168-Y292 VanDerWaalsContact O-CE2 3.29Å; L168-Y292 WeakPolarHBondContact O-CE2 3.2Å
169	M	97.7	Very high	97.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-1.8	179.1	-59.6	-59.8	128.1	0	0	117.5	G167 D172 A173 E285 L288 L289 Y292	G167-M169 PolarHBondContact O-N 3.32Å; M169-D172 VanDerWaalsContact CA-OD2 3.27Å; M169-D172 WeakPolarHBondContact CA-OD2 3.48Å; M169-D172 HydrophobicContact SD-CB 4.27Å; M169-A173 WeakPolarHBondContact O-CB 3.32Å; M169-A173 PolarHBondContact O-N 3.2Å; M169-E285 HydrophobicContact CE-CB 3.69Å; M169-E285 HydrophobicContact CE-CG 3.76Å; M169-E285 HydrophobicContact CG-CB 4.48Å; M169-E285 WeakPolarHBondContact CG-O 3.48Å; M169-E285 HydrophobicContact SD-CB 4.28Å; M169-L288 HydrophobicContact CB-CD2 4.37Å; M169-L288 HydrophobicContact CB-CG 4.44Å; M169-L288 HydrophobicContact CG-CD2 4.39Å; M169-L289 HydrophobicContact CB-CB 4.31Å; M169-L289 HydrophobicContact CB-CD1 4.4Å; M169-L289 HydrophobicContact CG-CB 4.2Å; M169-L289 HydrophobicContact SD-CB 4.31Å; M169-Y292 HydrophobicContact CB-CD2 3.97Å; M169-Y292 HydrophobicContact CB-CE2 3.87Å
170	L	98	Very high	97.7	Very high	94 Å²	94	31.2 Å²	31.2	49%	0.492	16%	0.164	S	C	.	.	H	α-helix	trans	-68.3	-48	-178	-73.6	172.6	0	0	0	112.5	G167 L168 D172 A173 E174 Y292	G167-L170 PolarHBondContact O-N 3.21Å; L168-L170 PolarHBondContact O-N 3.1Å; L170-D172 VanDerWaalsContact C-N 3.29Å; L170-D172 PolarHBondContact O-N 3.08Å; L170-A173 PolarHBondContact O-N 3.11Å; L170-E174 PolarHBondContact O-N 3.44Å; L170-Y292 HydrophobicContact CD2-CD2 4.15Å; L170-Y292 HydrophobicContact CD2-CE1 4.47Å; L170-Y292 HydrophobicContact CD2-CE2 3.71Å; L170-Y292 HydrophobicContact CG-CE2 3.99Å
171	A	98.2	Very high	97.7	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-36.3	177.7	0	0	0	0	0	111.4	I162 E174 C175 V405	I162-A171 HydrophobicContact CB-CB 4.23Å; I162-A171 HydrophobicContact CD1-CB 3.86Å; I162-A171 HydrophobicContact CG2-CB 3.99Å; A171-E174 PolarHBondContact O-N 2.94Å; A171-C175 PolarHBondContact O-N 2.77Å; A171-C175 PolarHBondContact O-SG 2.86Å; A171-V405 HydrophobicContact CB-CG1 3.55Å
172	D	98.5	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-47.2	176.7	-48.5	-105	0	0	0	111.3	M169 L170 E174 C175 L176 L289 V318 R387 V405	M169-D172 VanDerWaalsContact CA-OD2 3.27Å; M169-D172 WeakPolarHBondContact CA-OD2 3.48Å; M169-D172 HydrophobicContact SD-CB 4.27Å; L170-D172 VanDerWaalsContact C-N 3.29Å; L170-D172 PolarHBondContact O-N 3.08Å; D172-E174 VanDerWaalsContact C-N 3.34Å; D172-E174 PolarHBondContact O-N 3.21Å; D172-C175 WeakPolarHBondContact O-CB 3.33Å; D172-C175 PolarHBondContact O-N 3.35Å; D172-L176 WeakPolarHBondContact O-CG 3.49Å; D172-L176 PolarHBondContact O-N 3.17Å; D172-L289 HydrophobicContact CB-CD1 4.02Å; D172-V318 HydrophobicContact CB-CG1 4Å; D172-V318 WeakPolarHBondContact OD1-CG1 3.3Å; D172-R387 VanDerWaalsContact CG-NH2 3.32Å; D172-R387 IonicContact OD1-CZ 2.75Å; D172-R387 IonicContact OD1-NE 3.86Å; D172-R387 PolarHBondContact OD1-NE 2.86Å; D172-R387 IonicContact OD1-NH2 2.72Å; D172-R387 PolarHBondContact OD1-NH2 3.15Å; D172-R387 IonicContact OD2-CZ 2.71Å; D172-R387 IonicContact OD2-NE 2.71Å; D172-R387 IonicContact OD2-NH2 3.71Å; D172-R387 PolarHBondContact OD2-NH2 3.06Å; D172-V405 HydrophobicContact CB-CG2 4.43Å
173	A	98.5	Very high	97.5	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-37.6	176.3	0	0	0	0	0	112	M169 L170 L176 R177 L289 Y292 L296	M169-A173 WeakPolarHBondContact O-CB 3.32Å; M169-A173 PolarHBondContact O-N 3.2Å; L170-A173 PolarHBondContact O-N 3.11Å; A173-L176 PolarHBondContact O-N 2.88Å; A173-R177 PolarHBondContact O-N 3.48Å; A173-L289 HydrophobicContact CB-CD1 3.93Å; A173-Y292 HydrophobicContact CB-CD2 4.15Å; A173-Y292 HydrophobicContact CB-CG 4.44Å; A173-L296 HydrophobicContact CB-CD1 3.81Å
174	E	98.6	Very high	97.5	Very high	47 Å²	47	34.1 Å²	34.1	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174.4	-172	178.7	-173	0	0	111.6	H71 K132 I162 L170 A171 D172 L176 R177 I178	H71-E174 IonicContact CE1-OE1 3.4Å; H71-E174 IonicContact CG-OE1 3.59Å; H71-E174 IonicContact ND1-OE1 3.1Å; H71-E174 PolarHBondContact ND1-OE1 3.27Å; K132-E174 WeakPolarHBondContact CE-OE2 3.49Å; K132-E174 IonicContact NZ-OE1 2.78Å; K132-E174 PolarHBondContact NZ-OE1 3.23Å; K132-E174 IonicContact NZ-OE2 2.78Å; K132-E174 PolarHBondContact NZ-OE2 3.47Å; I162-E174 HydrophobicContact CD1-CB 4.34Å; I162-E174 WeakPolarHBondContact CD1-OE2 3.03Å; L170-E174 PolarHBondContact O-N 3.44Å; A171-E174 PolarHBondContact O-N 2.94Å; D172-E174 VanDerWaalsContact C-N 3.34Å; D172-E174 PolarHBondContact O-N 3.21Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.3Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 2.73Å; E174-R177 VanDerWaalsContact O-N 3.12Å; E174-I178 HydrophobicContact CG-CD1 4.05Å; E174-I178 HydrophobicContact CG-CG1 4.46Å; E174-I178 VanDerWaalsContact O-CG1 3.31Å; E174-I178 WeakPolarHBondContact O-CG1 3.45Å; E174-I178 PolarHBondContact O-N 3.26Å
175	C	98.7	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-44.1	175	-75.1	0	0	0	0	112.3	A171 D172 R177 I178 M179 Y320 F407	A171-C175 PolarHBondContact O-N 2.77Å; A171-C175 PolarHBondContact O-SG 2.86Å; D172-C175 WeakPolarHBondContact O-CB 3.33Å; D172-C175 PolarHBondContact O-N 3.35Å; C175-R177 VanDerWaalsContact C-N 3.34Å; C175-R177 PolarHBondContact O-N 3.24Å; C175-I178 PolarHBondContact O-N 3.23Å; C175-M179 WeakPolarHBondContact O-CB 3.38Å; C175-M179 PolarHBondContact O-N 3Å; C175-Y320 WeakPolarHBondContact CB-OH 3.44Å; C175-F407 HydrophobicContact CB-CD1 3.74Å; C175-F407 HydrophobicContact CB-CE1 4.1Å; C175-F407 WeakPolarHBondContact O-CE1 3.42Å
176	L	98.7	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-38	176.6	-64	174.9	0	0	0	112	D172 A173 E174 M179 Y180 I193 I195 L289 I298 I302 Y320	D172-L176 WeakPolarHBondContact O-CG 3.49Å; D172-L176 PolarHBondContact O-N 3.17Å; A173-L176 PolarHBondContact O-N 2.88Å; E174-L176 VanDerWaalsContact C-N 3.31Å; E174-L176 PolarHBondContact O-N 3.3Å; L176-M179 PolarHBondContact O-N 3.07Å; L176-Y180 WeakPolarHBondContact O-CB 3.25Å; L176-Y180 PolarHBondContact O-N 2.77Å; L176-I193 HydrophobicContact CD2-CG2 3.72Å; L176-I195 HydrophobicContact CD1-CG2 4.16Å; L176-I195 HydrophobicContact CD2-CG2 3.96Å; L176-L289 HydrophobicContact CD1-CD1 3.92Å; L176-L289 HydrophobicContact CD1-CD2 4.18Å; L176-L289 HydrophobicContact CD1-CG 4.23Å; L176-I298 HydrophobicContact CB-CD1 3.83Å; L176-I302 HydrophobicContact CB-CD1 4.48Å; L176-I302 HydrophobicContact CD1-CD1 4.34Å; L176-Y320 HydrophobicContact CD2-CD1 3.74Å; L176-Y320 HydrophobicContact CD2-CD2 4.12Å; L176-Y320 HydrophobicContact CD2-CE1 4.27Å; L176-Y320 HydrophobicContact CD2-CG 3.66Å; L176-Y320 HydrophobicContact CG-CD1 4.49Å
177	R	98.6	Very high	97.2	Very high	67 Å²	67	33.3 Å²	33.3	25%	0.253	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-44.8	175.7	174.9	61.5	-171	-158.4	7.5	112	A173 E174 C175 M179 Y180 E181 L296 I298	A173-R177 PolarHBondContact O-N 3.48Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 2.73Å; E174-R177 VanDerWaalsContact O-N 3.12Å; C175-R177 VanDerWaalsContact C-N 3.34Å; C175-R177 PolarHBondContact O-N 3.24Å; R177-M179 VanDerWaalsContact C-N 3.3Å; R177-M179 PolarHBondContact O-N 2.79Å; R177-Y180 WeakPolarHBondContact O-CB 3.43Å; R177-Y180 PolarHBondContact O-N 2.65Å; R177-E181 IonicContact CZ-OE1 3.1Å; R177-E181 IonicContact NE-OE1 2.61Å; R177-E181 PolarHBondContact NE-OE1 2.66Å; R177-E181 IonicContact NH2-OE1 3.21Å; R177-E181 PolarHBondContact NH2-OE1 2.8Å; R177-E181 WeakPolarHBondContact O-CG 3.5Å; R177-E181 PolarHBondContact O-N 3.01Å; R177-L296 HydrophobicContact CB-CD1 4.19Å; R177-L296 PolarHBondContact NH1-O 3.4Å; R177-I298 HydrophobicContact CB-CD1 4.3Å
178	I	98.7	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-42.9	177	-61.5	160.7	0	0	0	110.1	F68 H71 F160 E174 C175 Y180 E181 V182 F407	F68-I178 HydrophobicContact CD1-CG2 3.78Å; F68-I178 HydrophobicContact CE1-CG2 3.8Å; H71-I178 HydrophobicContact CB-CD1 3.89Å; H71-I178 HydrophobicContact CB-CG1 4.1Å; H71-I178 VanDerWaalsContact CE1-CG1 3.46Å; H71-I178 WeakPolarHBondContact CE1-CG1 3.42Å; H71-I178 VanDerWaalsContact CG-CG1 3.41Å; H71-I178 WeakPolarHBondContact ND1-CG1 3.43Å; F160-I178 HydrophobicContact CD1-CD1 3.74Å; F160-I178 HydrophobicContact CD2-CD1 4.1Å; F160-I178 HydrophobicContact CE1-CD1 3.27Å; F160-I178 HydrophobicContact CE2-CD1 3.63Å; F160-I178 HydrophobicContact CG-CD1 4.13Å; F160-I178 HydrophobicContact CZ-CD1 3.19Å; E174-I178 HydrophobicContact CG-CD1 4.05Å; E174-I178 HydrophobicContact CG-CG1 4.46Å; E174-I178 VanDerWaalsContact O-CG1 3.31Å; E174-I178 WeakPolarHBondContact O-CG1 3.45Å; E174-I178 PolarHBondContact O-N 3.26Å; C175-I178 PolarHBondContact O-N 3.23Å; I178-Y180 VanDerWaalsContact C-N 3.32Å; I178-Y180 PolarHBondContact O-N 3.01Å; I178-E181 PolarHBondContact O-N 3.46Å; I178-V182 HydrophobicContact CG2-CG2 4.4Å; I178-V182 WeakPolarHBondContact O-CG2 3.19Å; I178-V182 PolarHBondContact O-N 2.92Å; I178-F407 HydrophobicContact CB-CE1 3.97Å; I178-F407 HydrophobicContact CB-CZ 3.83Å; I178-F407 HydrophobicContact CD1-CE1 4.3Å; I178-F407 HydrophobicContact CG2-CE1 4.11Å; I178-F407 HydrophobicContact CG2-CZ 3.49Å; I178-F407 VanDerWaalsContact CG2-CZ 3.49Å
179	M	98.3	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-45.7	176.8	-173.3	177.2	-65.1	0	0	111.7	C175 L176 R177 L183 I193 Y320 A322 A383 F407 F409	C175-M179 WeakPolarHBondContact O-CB 3.38Å; C175-M179 PolarHBondContact O-N 3Å; L176-M179 PolarHBondContact O-N 3.07Å; R177-M179 VanDerWaalsContact C-N 3.3Å; R177-M179 PolarHBondContact O-N 2.79Å; M179-L183 HydrophobicContact CG-CD1 4.03Å; M179-L183 WeakPolarHBondContact O-CB 3.41Å; M179-L183 VanDerWaalsContact O-CG 3.29Å; M179-L183 WeakPolarHBondContact O-CG 3.04Å; M179-L183 PolarHBondContact O-N 2.92Å; M179-L183 VanDerWaalsContact O-N 3.13Å; M179-I193 HydrophobicContact CB-CD1 4.15Å; M179-I193 HydrophobicContact CG-CD1 3.97Å; M179-I193 HydrophobicContact CG-CG1 4.37Å; M179-I193 HydrophobicContact SD-CD1 4.09Å; M179-I193 HydrophobicContact SD-CG1 4.05Å; M179-I193 HydrophobicContact SD-CG2 3.79Å; M179-Y320 HydrophobicContact CE-CD2 3.68Å; M179-Y320 HydrophobicContact CE-CE2 3.74Å; M179-A322 HydrophobicContact CG-CB 4.2Å; M179-A322 HydrophobicContact SD-CB 3.62Å; M179-A383 HydrophobicContact CE-CB 3.77Å; M179-A383 HydrophobicContact CG-CB 4.22Å; M179-A383 HydrophobicContact SD-CB 3.96Å; M179-F407 HydrophobicContact CE-CB 3.82Å; M179-F407 HydrophobicContact CE-CD2 4.03Å; M179-F407 HydrophobicContact CE-CG 3.91Å; M179-F409 HydrophobicContact CG-CE1 4.3Å; M179-F409 HydrophobicContact CG-CZ 4.26Å
180	Y	98.3	Very high	96.3	Very high	60 Å²	60	32.3 Å²	32.3	24%	0.235	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-48.2	173.9	166.2	-97.7	0	0	0	112.8	L176 R177 I178 S184 F191 I298 R301	L176-Y180 WeakPolarHBondContact O-CB 3.25Å; L176-Y180 PolarHBondContact O-N 2.77Å; R177-Y180 WeakPolarHBondContact O-CB 3.43Å; R177-Y180 PolarHBondContact O-N 2.65Å; I178-Y180 VanDerWaalsContact C-N 3.32Å; I178-Y180 PolarHBondContact O-N 3.01Å; Y180-S184 VanDerWaalsContact O-CB 3.28Å; Y180-S184 WeakPolarHBondContact O-CB 3.31Å; Y180-S184 PolarHBondContact O-N 2.83Å; Y180-S184 PolarHBondContact O-OG 3Å; Y180-F191 HydrophobicContact CD2-CE2 4.02Å; Y180-F191 AromaticContact CD2-CZ 3.65Å; Y180-F191 HydrophobicContact CD2-CZ 3.65Å; Y180-F191 HydrophobicContact CE2-CZ 4.16Å; Y180-F191 HydrophobicContact CG-CZ 4.49Å; Y180-I298 HydrophobicContact CD1-CG2 3.46Å; Y180-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y180-I298 HydrophobicContact CD2-CB 4.49Å; Y180-I298 HydrophobicContact CD2-CG2 4.15Å; Y180-I298 HydrophobicContact CE1-CG2 4Å; Y180-I298 HydrophobicContact CG-CB 4.24Å; Y180-I298 HydrophobicContact CG-CG2 3.53Å; Y180-R301 HydrophobicContact CD2-CB 4.14Å; Y180-R301 HydrophobicContact CD2-CG 3.6Å; Y180-R301 HydrophobicContact CE2-CG 3.59Å
181	E	98.3	Very high	96.2	Very high	22 Å²	22	28 Å²	28	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-48.6	-177.9	-74.9	-169.7	-177	0	0	111.7	R70 H71 R177 I178 S184 E185	R70-E181 IonicContact CZ-OE2 2.73Å; R70-E181 IonicContact NH1-OE2 3.42Å; R70-E181 PolarHBondContact NH1-OE2 3.48Å; H71-E181 IonicContact NE2-OE1 3.26Å; H71-E181 IonicContact NE2-OE2 3.8Å; R177-E181 IonicContact CZ-OE1 3.1Å; R177-E181 IonicContact NE-OE1 2.61Å; R177-E181 PolarHBondContact NE-OE1 2.66Å; R177-E181 IonicContact NH2-OE1 3.21Å; R177-E181 PolarHBondContact NH2-OE1 2.8Å; R177-E181 WeakPolarHBondContact O-CG 3.5Å; R177-E181 PolarHBondContact O-N 3.01Å; I178-E181 PolarHBondContact O-N 3.46Å; E181-S184 PolarHBondContact O-N 3.5Å; E181-E185 WeakPolarHBondContact O-CB 3.45Å; E181-E185 WeakPolarHBondContact O-CG 3.46Å; E181-E185 PolarHBondContact O-N 3.48Å
182	V	98	Very high	96.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-48.4	179.3	168.8	0	0	0	0	111.3	I64 C67 I178 S184 E185 L186 F409	I64-V182 HydrophobicContact CG1-CG1 3.7Å; C67-V182 HydrophobicContact CB-CG2 3.63Å; I178-V182 HydrophobicContact CG2-CG2 4.4Å; I178-V182 WeakPolarHBondContact O-CG2 3.19Å; I178-V182 PolarHBondContact O-N 2.92Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 2.93Å; V182-E185 PolarHBondContact O-N 2.88Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.33Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.27Å; V182-L186 PolarHBondContact O-N 2.99Å; V182-F409 HydrophobicContact CB-CE1 4.42Å; V182-F409 HydrophobicContact CB-CE2 3.81Å; V182-F409 HydrophobicContact CB-CZ 3.53Å; V182-F409 HydrophobicContact CG1-CD2 4.3Å; V182-F409 HydrophobicContact CG1-CE1 4Å; V182-F409 HydrophobicContact CG1-CE2 3.59Å; V182-F409 HydrophobicContact CG1-CZ 3.44Å; V182-F409 VanDerWaalsContact CG1-CZ 3.44Å; V182-F409 HydrophobicContact CG2-CE2 3.91Å; V182-F409 HydrophobicContact CG2-CZ 4.12Å
183	L	96.9	Very high	96.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-34.3	-178.7	-68.4	174.2	0	0	0	112	M179 N187 F191 A322 V382 F409 L414	M179-L183 HydrophobicContact CG-CD1 4.03Å; M179-L183 WeakPolarHBondContact O-CB 3.41Å; M179-L183 VanDerWaalsContact O-CG 3.29Å; M179-L183 WeakPolarHBondContact O-CG 3.04Å; M179-L183 PolarHBondContact O-N 2.92Å; M179-L183 VanDerWaalsContact O-N 3.13Å; L183-N187 PolarHBondContact O-N 3.27Å; L183-F191 HydrophobicContact CB-CD1 3.86Å; L183-F191 HydrophobicContact CB-CD2 4.2Å; L183-F191 HydrophobicContact CB-CE1 3.65Å; L183-F191 HydrophobicContact CB-CE2 4.01Å; L183-F191 HydrophobicContact CB-CG 4.13Å; L183-F191 HydrophobicContact CB-CZ 3.73Å; L183-F191 HydrophobicContact CD1-CD2 3.74Å; L183-F191 HydrophobicContact CD1-CE2 4.02Å; L183-F191 HydrophobicContact CD1-CG 4.09Å; L183-A322 HydrophobicContact CD1-CB 3.5Å; L183-V382 HydrophobicContact CD1-CG2 4.46Å; L183-V382 HydrophobicContact CD2-CG2 3.84Å; L183-F409 HydrophobicContact CD1-CE1 4.49Å; L183-F409 HydrophobicContact CD2-CD1 4.47Å; L183-F409 HydrophobicContact CD2-CE1 3.87Å; L183-F409 HydrophobicContact CG-CE1 3.93Å; L183-L414 HydrophobicContact CD2-CD2 4.05Å
184	S	96.6	Very high	96	Very high	45 Å²	45	31.8 Å²	31.8	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-69	-43.3	174.4	-56.5	0	0	0	0	111.9	Y180 E181 V182 N187	Y180-S184 VanDerWaalsContact O-CB 3.28Å; Y180-S184 WeakPolarHBondContact O-CB 3.31Å; Y180-S184 PolarHBondContact O-N 2.83Å; Y180-S184 PolarHBondContact O-OG 3Å; E181-S184 PolarHBondContact O-N 3.5Å; V182-S184 VanDerWaalsContact C-N 3.28Å; V182-S184 PolarHBondContact O-N 2.93Å; S184-N187 PolarHBondContact O-N 3.39Å
185	E	96.1	Very high	96	Very high	65 Å²	65	29.6 Å²	29.6	30%	0.304	16%	0.158	S	C	.	.	H	α-helix	trans	-69.2	-35.3	179	-75.3	-173	-157	0	0	112.7	T63 R66 R70 E181 V182 N187	T63-E185 HydrophobicContact CG2-CB 3.68Å; R66-E185 IonicContact CZ-OE2 2.7Å; R66-E185 IonicContact NE-OE2 3.6Å; R66-E185 PolarHBondContact NE-OE2 2.97Å; R66-E185 IonicContact NH2-OE2 3.68Å; R66-E185 PolarHBondContact NH2-OE2 3.43Å; R70-E185 IonicContact CZ-OE1 3.44Å; R70-E185 VanDerWaalsContact CZ-OE1 3.26Å; R70-E185 IonicContact NH1-OE1 2.91Å; R70-E185 PolarHBondContact NH1-OE1 2.8Å; R70-E185 IonicContact NH2-OE1 3.62Å; R70-E185 PolarHBondContact NH2-OE1 2.71Å; R70-E185 IonicContact NH2-OE2 3.71Å; E181-E185 WeakPolarHBondContact O-CB 3.45Å; E181-E185 WeakPolarHBondContact O-CG 3.46Å; E181-E185 PolarHBondContact O-N 3.48Å; V182-E185 PolarHBondContact O-N 2.88Å; E185-N187 PolarHBondContact O-N 3.49Å
186	L	93.9	Very high	96	Very high	19 Å²	19	29.6 Å²	29.6	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-20.2	175.1	-71	175	0	0	0	112.9	V60 T63 V182 L188 L414	V60-L186 HydrophobicContact CB-CD2 4.41Å; V60-L186 HydrophobicContact CG1-CD2 4.24Å; V60-L186 HydrophobicContact CG2-CD2 4.2Å; T63-L186 HydrophobicContact CG2-CD2 3.84Å; T63-L186 HydrophobicContact CG2-CG 4.09Å; V182-L186 HydrophobicContact CG1-CD1 3.77Å; V182-L186 HydrophobicContact CG1-CG 4.23Å; V182-L186 WeakPolarHBondContact O-CB 3.33Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.27Å; V182-L186 PolarHBondContact O-N 2.99Å; L186-L188 HydrophobicContact CB-CD1 4.19Å; L186-L188 HydrophobicContact CB-CG 4Å; L186-L188 HydrophobicContact CD1-CD1 4.43Å; L186-L188 PolarHBondContact O-N 3.12Å; L186-L414 HydrophobicContact CD1-CD1 3.95Å; L186-L414 HydrophobicContact CD1-CD2 4.19Å
187	N	90.2	Very high	95.9	Very high	133 Å²	133	29.6 Å²	29.6	71%	0.711	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	49	174.9	-167.6	31.6	0	0	0	114.1	L183 S184 E185 G189	L183-N187 PolarHBondContact O-N 3.27Å; S184-N187 PolarHBondContact O-N 3.39Å; E185-N187 PolarHBondContact O-N 3.49Å; N187-G189 VanDerWaalsContact C-N 3.3Å; N187-G189 PolarHBondContact O-N 2.99Å
188	L	88.1	Confident	95.7	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	15%	0.151	C	C	.	.			trans	-91.5	16.6	-177.8	-58.9	177.2	0	0	0	113.6	L186 L324 L414 I417 K418 L421	L186-L188 HydrophobicContact CB-CD1 4.19Å; L186-L188 HydrophobicContact CB-CG 4Å; L186-L188 HydrophobicContact CD1-CD1 4.43Å; L186-L188 PolarHBondContact O-N 3.12Å; L188-L324 HydrophobicContact CB-CD1 3.99Å; L188-L324 HydrophobicContact CB-CD2 4.17Å; L188-L324 HydrophobicContact CD1-CD1 4.37Å; L188-L414 HydrophobicContact CD1-CB 4.18Å; L188-L414 HydrophobicContact CD1-CD2 3.61Å; L188-I417 HydrophobicContact CB-CG2 4.2Å; L188-K418 HydrophobicContact CD2-CB 3.75Å; L188-K418 HydrophobicContact CD2-CD 4.4Å; L188-K418 HydrophobicContact CD2-CG 4.05Å; L188-L421 HydrophobicContact CB-CD1 4.32Å; L188-L421 HydrophobicContact CD2-CD1 4.33Å; L188-L421 WeakPolarHBondContact O-CD1 3.26Å
189	G	88.2	Confident	95.5	Very high	45 Å²	45	31.4 Å²	31.4	46%	0.464	17%	0.165	S	C	.	.	S	Bend	trans	101.5	-169.4	-174.9	0	0	0	0	0	113.6	N187	N187-G189 VanDerWaalsContact C-N 3.3Å; N187-G189 PolarHBondContact O-N 2.99Å
190	D	92.9	Very high	95.4	Very high	64 Å²	64	31.5 Å²	31.5	34%	0.342	17%	0.166	S	C	.	.			trans	-76.1	140.2	-175.3	-157.9	39.8	0	0	0	111.5	R301 L324 K325	D190-R301 IonicContact OD1-CZ 3.59Å; D190-R301 IonicContact OD1-NH1 2.83Å; D190-R301 PolarHBondContact OD1-NH1 3.37Å; D190-R301 IonicContact OD1-NH2 2.85Å; D190-R301 PolarHBondContact OD1-NH2 3.33Å; D190-R301 VanDerWaalsContact OD1-NH2 3.1Å; D190-R301 IonicContact OD2-NH1 3.67Å; D190-L324 CarbonylContact O-C 3.52Å; D190-K325 HydrophobicContact CB-CB 4.42Å; D190-K325 HydrophobicContact CB-CD 4.32Å; D190-K325 PolarHBondContact O-N 3.21Å; D190-K325 VanDerWaalsContact OD2-CD 3.22Å; D190-K325 WeakPolarHBondContact OD2-CD 3.33Å; D190-K325 WeakPolarHBondContact OD2-CE 2.95Å; D190-K325 IonicContact OD2-NZ 3.61Å; D190-K325 PolarHBondContact OD2-NZ 3.2Å
191	F	95.8	Very high	95.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.8	-178.7	64.9	-89	0	0	0	112.5	Y180 L183 I193 R301 V323 L324	Y180-F191 HydrophobicContact CD2-CE2 4.02Å; Y180-F191 AromaticContact CD2-CZ 3.65Å; Y180-F191 HydrophobicContact CD2-CZ 3.65Å; Y180-F191 HydrophobicContact CE2-CZ 4.16Å; Y180-F191 HydrophobicContact CG-CZ 4.49Å; L183-F191 HydrophobicContact CB-CD1 3.86Å; L183-F191 HydrophobicContact CB-CD2 4.2Å; L183-F191 HydrophobicContact CB-CE1 3.65Å; L183-F191 HydrophobicContact CB-CE2 4.01Å; L183-F191 HydrophobicContact CB-CG 4.13Å; L183-F191 HydrophobicContact CB-CZ 3.73Å; L183-F191 HydrophobicContact CD1-CD2 3.74Å; L183-F191 HydrophobicContact CD1-CE2 4.02Å; L183-F191 HydrophobicContact CD1-CG 4.09Å; F191-I193 HydrophobicContact CD2-CG1 4.21Å; F191-I193 HydrophobicContact CE2-CD1 4.23Å; F191-I193 HydrophobicContact CE2-CG1 4.24Å; F191-R301 HydrophobicContact CE2-CB 4.17Å; F191-R301 HydrophobicContact CE2-CG 4.11Å; F191-R301 HydrophobicContact CZ-CG 4.31Å; F191-V323 VanDerWaalsContact CA-O 3.28Å; F191-V323 WeakPolarHBondContact CA-O 3.44Å; F191-V323 WeakPolarHBondContact CB-O 3.49Å; F191-L324 HydrophobicContact CB-CD2 3.83Å; F191-L324 HydrophobicContact CB-CG 4.37Å
192	V	96.7	Very high	94.9	Very high	29 Å²	29	29.5 Å²	29.5	18%	0.176	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.9	169.9	61	0	0	0	0	109.4	A322 V323	V192-A322 WeakPolarHBondContact O-CA 3.29Å; V192-V323 HydrophobicContact CG1-CG2 3.35Å; V192-V323 PolarHBondContact N-O 3.3Å; V192-V323 PolarHBondContact O-N 2.89Å
193	I	97.9	Very high	94.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	104.2	173.6	-53.9	171.2	0	0	0	107	L176 M179 F191 I195 R301 I302 S303 E321 A322	L176-I193 HydrophobicContact CD2-CG2 3.72Å; M179-I193 HydrophobicContact CB-CD1 4.15Å; M179-I193 HydrophobicContact CG-CD1 3.97Å; M179-I193 HydrophobicContact CG-CG1 4.37Å; M179-I193 HydrophobicContact SD-CD1 4.09Å; M179-I193 HydrophobicContact SD-CG1 4.05Å; M179-I193 HydrophobicContact SD-CG2 3.79Å; F191-I193 HydrophobicContact CD2-CG1 4.21Å; F191-I193 HydrophobicContact CE2-CD1 4.23Å; F191-I193 HydrophobicContact CE2-CG1 4.24Å; I193-I195 HydrophobicContact CG2-CG2 4.28Å; I193-R301 PolarHBondContact N-O 3.46Å; I193-I302 HydrophobicContact CB-CD1 3.93Å; I193-I302 HydrophobicContact CD1-CD1 4.26Å; I193-I302 HydrophobicContact CG2-CD1 4.24Å; I193-I302 WeakPolarHBondContact O-CA 3.4Å; I193-S303 PolarHBondContact O-N 3.48Å; I193-E321 CarbonylContact C-O 3.5Å; I193-E321 WeakPolarHBondContact CA-O 3.5Å; I193-A322 HydrophobicContact CG1-CB 4.22Å
194	K	97.7	Very high	94.7	Very high	58 Å²	58	29.4 Å²	29.4	25%	0.252	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.9	173.3	-62.3	-178.6	171.1	-143	0	108.8	S303 D305 L308 Y320 E321	K194-S303 CarbonylContact C-O 3.51Å; K194-S303 VanDerWaalsContact CA-O 3.27Å; K194-S303 WeakPolarHBondContact CA-O 3.47Å; K194-D305 HydrophobicContact CB-CB 4.26Å; K194-D305 HydrophobicContact CD-CB 4.46Å; K194-D305 WeakPolarHBondContact CD-OD2 3.49Å; K194-D305 VanDerWaalsContact CE-OD2 3.3Å; K194-D305 WeakPolarHBondContact CE-OD2 3.36Å; K194-D305 HydrophobicContact CG-CB 4.37Å; K194-D305 IonicContact NZ-OD2 2.76Å; K194-D305 PolarHBondContact NZ-OD2 3.01Å; K194-L308 HydrophobicContact CB-CD2 4.09Å; K194-L308 WeakPolarHBondContact O-CD2 3.21Å; K194-Y320 CarbonylContact O-C 3.3Å; K194-Y320 WeakPolarHBondContact O-CA 3.37Å; K194-Y320 WeakPolarHBondContact O-CB 3.43Å; K194-E321 PolarHBondContact N-O 3.49Å; K194-E321 PolarHBondContact O-N 2.82Å
195	I	98.3	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.7	176.5	68.4	169	0	0	0	109.9	L176 I193 M286 L289 L290 I302 S303 F304 D305 I319	L176-I195 HydrophobicContact CD1-CG2 4.16Å; L176-I195 HydrophobicContact CD2-CG2 3.96Å; I193-I195 HydrophobicContact CG2-CG2 4.28Å; I195-M286 HydrophobicContact CB-CE 4.27Å; I195-M286 HydrophobicContact CD1-CE 3.41Å; I195-M286 VanDerWaalsContact CD1-CE 3.41Å; I195-M286 HydrophobicContact CG1-CE 3.65Å; I195-L289 HydrophobicContact CD1-CD2 4.13Å; I195-L290 HydrophobicContact CD1-CD2 3.82Å; I195-L290 HydrophobicContact CD1-CG 4.46Å; I195-I302 HydrophobicContact CD1-CG2 3.46Å; I195-I302 VanDerWaalsContact CD1-CG2 3.46Å; I195-I302 HydrophobicContact CG1-CG2 3.8Å; I195-I302 HydrophobicContact CG2-CG2 4.05Å; I195-S303 PolarHBondContact N-O 3.18Å; I195-F304 HydrophobicContact CG1-CB 4.3Å; I195-F304 WeakPolarHBondContact O-CD2 3.27Å; I195-D305 PolarHBondContact O-N 3.21Å; I195-I319 CarbonylContact C-O 3.58Å; I195-I319 WeakPolarHBondContact CA-O 3.2Å
196	N	97.6	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-176.7	170.4	-163	1.4	0	0	0	109.1	D305 L308 V318 I319	N196-D305 WeakPolarHBondContact CB-O 3.41Å; N196-D305 PolarHBondContact ND2-O 3.01Å; N196-L308 HydrophobicContact CB-CB 4Å; N196-L308 HydrophobicContact CB-CD2 4.16Å; N196-L308 HydrophobicContact CB-CG 4.29Å; N196-L308 PolarHBondContact ND2-O 3.29Å; N196-V318 CarbonylContact O-C 3.57Å; N196-V318 WeakPolarHBondContact O-CA 3.29Å; N196-V318 WeakPolarHBondContact O-CG2 3.3Å; N196-I319 HydrophobicContact CB-CD1 4.21Å; N196-I319 HydrophobicContact CB-CG1 3.95Å; N196-I319 PolarHBondContact N-O 3.25Å; N196-I319 PolarHBondContact O-N 2.77Å; N196-I319 VanDerWaalsContact O-O 3.09Å
197	H	97	Very high	94.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.4	-179.7	-162.1	-87.4	0	0	0	111.6	R199 L200 L201 A282 E285 M286 G317 V318	H197-R199 VanDerWaalsContact C-N 3.32Å; H197-R199 PolarHBondContact ND1-N 3.41Å; H197-R199 PolarHBondContact O-N 2.76Å; H197-L200 HydrophobicContact CB-CB 3.89Å; H197-L200 WeakPolarHBondContact O-CA 3.43Å; H197-L200 VanDerWaalsContact O-CB 3.28Å; H197-L200 WeakPolarHBondContact O-CB 3.29Å; H197-L200 PolarHBondContact O-N 3.36Å; H197-L201 PolarHBondContact O-N 3.45Å; H197-L201 VanDerWaalsContact O-N 3.13Å; H197-A282 HydrophobicContact CB-CB 4.21Å; H197-A282 VanDerWaalsContact ND1-CB 3.35Å; H197-A282 WeakPolarHBondContact ND1-CB 3.28Å; H197-E285 IonicContact CE1-OE2 3.19Å; H197-E285 PolarHBondContact CE1-OE2 2.95Å; H197-E285 IonicContact NE2-OE2 3.83Å; H197-E285 PolarHBondContact NE2-OE2 3.46Å; H197-E285 VanDerWaalsContact NE2-OE2 3.1Å; H197-M286 HydrophobicContact CB-CG 4.06Å; H197-M286 HydrophobicContact CB-SD 3.89Å; H197-G317 VanDerWaalsContact NE2-C 3.29Å; H197-G317 VanDerWaalsContact NE2-CA 3.26Å; H197-G317 WeakPolarHBondContact NE2-CA 3.47Å; H197-V318 PolarHBondContact CD2-N 3.02Å; H197-V318 PolarHBondContact NE2-N 3.21Å
198	R	94.7	Very high	94.7	Very high	29 Å²	29	19.3 Å²	19.3	11%	0.109	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-42.8	-176.7	-173	72.5	-174.7	83.8	3	112.4	L200 L201 D202 C219 Y315 G317	R198-L200 PolarHBondContact O-N 3.36Å; R198-L201 WeakPolarHBondContact O-CB 3.5Å; R198-L201 PolarHBondContact O-N 3.32Å; R198-D202 IonicContact CZ-OD1 3.54Å; R198-D202 IonicContact NH1-OD1 2.78Å; R198-D202 PolarHBondContact NH1-OD1 3.49Å; R198-D202 IonicContact NH1-OD2 3.85Å; R198-D202 IonicContact NH2-OD1 2.76Å; R198-D202 PolarHBondContact NH2-OD1 2.87Å; R198-D202 PolarHBondContact O-N 3.19Å; R198-D202 VanDerWaalsContact O-N 3.14Å; R198-C219 PolarHBondContact NH1-SG 3.4Å; R198-Y315 WeakPolarHBondContact CG-O 3.3Å; R198-G317 PolarHBondContact N-O 2.68Å
199	R	94.3	Very high	95	Very high	77 Å²	77	24.5 Å²	24.5	29%	0.291	14%	0.136	S	C	.	.	H	α-helix	trans	-67.9	-25.2	177.3	-52.3	-177.4	-158.1	150.8	-2.5	112.8	H197 G203 A282 E285 T316	H197-R199 VanDerWaalsContact C-N 3.32Å; H197-R199 PolarHBondContact ND1-N 3.41Å; H197-R199 PolarHBondContact O-N 2.76Å; R199-G203 PolarHBondContact O-N 3.17Å; R199-A282 HydrophobicContact CB-CB 4.26Å; R199-E285 IonicContact NH1-OE1 3.98Å; R199-E285 PolarHBondContact NH1-OE1 3.48Å; R199-E285 VanDerWaalsContact NH1-OE1 3.11Å; R199-E285 IonicContact NH1-OE2 3.9Å; R199-E285 PolarHBondContact NH1-OE2 2.62Å; R199-T316 WeakPolarHBondContact CG-O 3.28Å; R199-T316 PolarHBondContact NE-O 2.85Å; R199-T316 VanDerWaalsContact NE-O 3.08Å
200	L	96.1	Very high	95.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-70.7	-43.5	174.3	-177.7	60.4	0	0	0	110.3	H197 R198 D202 G203 L204 L273 A279 A282 L283 F304 L306	H197-L200 HydrophobicContact CB-CB 3.89Å; H197-L200 WeakPolarHBondContact O-CA 3.43Å; H197-L200 VanDerWaalsContact O-CB 3.28Å; H197-L200 WeakPolarHBondContact O-CB 3.29Å; H197-L200 PolarHBondContact O-N 3.36Å; R198-L200 PolarHBondContact O-N 3.36Å; L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.81Å; L200-G203 PolarHBondContact O-N 2.92Å; L200-L204 VanDerWaalsContact O-CB 3.32Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 PolarHBondContact O-N 2.67Å; L200-L273 HydrophobicContact CD1-CD1 4.45Å; L200-L273 HydrophobicContact CD1-CD2 4.21Å; L200-A279 HydrophobicContact CD1-CB 3.82Å; L200-A282 HydrophobicContact CB-CB 3.74Å; L200-A282 HydrophobicContact CD1-CB 4.5Å; L200-L283 HydrophobicContact CD1-CD1 4.48Å; L200-L283 HydrophobicContact CD1-CD2 4.06Å; L200-L283 HydrophobicContact CD1-CG 3.96Å; L200-L283 HydrophobicContact CD2-CD2 4.11Å; L200-F304 HydrophobicContact CD2-CE2 3.91Å; L200-F304 HydrophobicContact CD2-CZ 3.47Å; L200-F304 VanDerWaalsContact CD2-CZ 3.47Å; L200-L306 HydrophobicContact CD2-CD2 3.72Å
201	L	94.6	Very high	95.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-44.5	173.3	-69.4	170.7	0	0	0	111.7	H197 R198 G203 L204 F205 A309 I319	H197-L201 PolarHBondContact O-N 3.45Å; H197-L201 VanDerWaalsContact O-N 3.13Å; R198-L201 WeakPolarHBondContact O-CB 3.5Å; R198-L201 PolarHBondContact O-N 3.32Å; L201-G203 PolarHBondContact O-N 3.28Å; L201-L204 WeakPolarHBondContact O-CB 3.23Å; L201-L204 PolarHBondContact O-N 2.88Å; L201-F205 HydrophobicContact CB-CE2 4.16Å; L201-F205 HydrophobicContact CB-CZ 4.32Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 WeakPolarHBondContact O-CG 3.29Å; L201-F205 PolarHBondContact O-N 2.87Å; L201-A309 HydrophobicContact CD1-CB 3.95Å; L201-I319 HydrophobicContact CD1-CD1 4.14Å
202	D	92.6	Very high	95.1	Very high	40 Å²	40	27.1 Å²	27.1	21%	0.214	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-38.9	177	-67.1	-24.3	0	0	0	112.6	R198 L200 F205 S206 F215	R198-D202 IonicContact CZ-OD1 3.54Å; R198-D202 IonicContact NH1-OD1 2.78Å; R198-D202 PolarHBondContact NH1-OD1 3.49Å; R198-D202 IonicContact NH1-OD2 3.85Å; R198-D202 IonicContact NH2-OD1 2.76Å; R198-D202 PolarHBondContact NH2-OD1 2.87Å; R198-D202 PolarHBondContact O-N 3.19Å; R198-D202 VanDerWaalsContact O-N 3.14Å; L200-D202 VanDerWaalsContact C-N 3.33Å; L200-D202 PolarHBondContact O-N 2.81Å; D202-F205 PolarHBondContact O-N 2.86Å; D202-S206 PolarHBondContact O-N 3.01Å; D202-S206 PolarHBondContact O-OG 3.36Å; D202-F215 HydrophobicContact CB-CD2 3.86Å; D202-F215 HydrophobicContact CB-CE2 3.91Å; D202-F215 WeakPolarHBondContact O-CE2 3.46Å; D202-F215 WeakPolarHBondContact OD1-CD2 3.32Å
203	G	94.5	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-40.5	173.8	0	0	0	0	0	112.5	R199 L200 L201 S206 A207 S278	R199-G203 PolarHBondContact O-N 3.17Å; L200-G203 PolarHBondContact O-N 2.92Å; L201-G203 PolarHBondContact O-N 3.28Å; G203-S206 WeakPolarHBondContact O-CB 3.31Å; G203-S206 PolarHBondContact O-N 3.19Å; G203-A207 PolarHBondContact O-N 3.28Å; G203-S278 VanDerWaalsContact CA-OG 3.23Å; G203-S278 WeakPolarHBondContact CA-OG 3.35Å; G203-S278 PolarHBondContact N-OG 2.79Å
204	L	95.1	Very high	94.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-46	174.1	-179.7	165.7	0	0	0	111	L200 L201 S206 A207 C208 I251 Y254 L273 L306	L200-L204 VanDerWaalsContact O-CB 3.32Å; L200-L204 WeakPolarHBondContact O-CB 3.34Å; L200-L204 PolarHBondContact O-N 2.67Å; L201-L204 WeakPolarHBondContact O-CB 3.23Å; L201-L204 PolarHBondContact O-N 2.88Å; L204-S206 VanDerWaalsContact C-N 3.31Å; L204-S206 PolarHBondContact O-N 3.46Å; L204-A207 PolarHBondContact O-N 3.33Å; L204-C208 WeakPolarHBondContact O-CB 3.38Å; L204-C208 PolarHBondContact O-N 3.36Å; L204-C208 PolarHBondContact O-SG 3.34Å; L204-I251 HydrophobicContact CD2-CG1 4.26Å; L204-Y254 VanDerWaalsContact CD1-CB 3.43Å; L204-Y254 HydrophobicContact CD1-CD2 4.33Å; L204-Y254 HydrophobicContact CD1-CG 3.9Å; L204-Y254 HydrophobicContact CD2-CD2 4.27Å; L204-Y254 HydrophobicContact CG-CD2 3.94Å; L204-Y254 HydrophobicContact CG-CG 4Å; L204-L273 HydrophobicContact CB-CD1 4.12Å; L204-L306 HydrophobicContact CD1-CD1 4.38Å
205	F	94.6	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-40.5	175.5	-63.3	-31.8	0	0	0	112.3	L201 D202 A207 C208 D209 V210 F215 A218 C219 I222 I251	L201-F205 HydrophobicContact CB-CE2 4.16Å; L201-F205 HydrophobicContact CB-CZ 4.32Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 WeakPolarHBondContact O-CG 3.29Å; L201-F205 PolarHBondContact O-N 2.87Å; D202-F205 PolarHBondContact O-N 2.86Å; F205-A207 VanDerWaalsContact C-N 3.34Å; F205-C208 CarbonylContact O-C 3.55Å; F205-C208 PolarHBondContact O-N 3.39Å; F205-D209 PolarHBondContact O-N 2.97Å; F205-V210 HydrophobicContact CB-CB 3.9Å; F205-V210 HydrophobicContact CB-CG1 4.39Å; F205-V210 HydrophobicContact CB-CG2 4.12Å; F205-V210 HydrophobicContact CD1-CG2 4.42Å; F205-V210 WeakPolarHBondContact O-CB 3.28Å; F205-V210 WeakPolarHBondContact O-CG2 3.41Å; F205-V210 PolarHBondContact O-N 2.9Å; F205-F215 HydrophobicContact CB-CD1 3.6Å; F205-F215 HydrophobicContact CB-CE1 3.36Å; F205-F215 HydrophobicContact CB-CE2 4.47Å; F205-F215 HydrophobicContact CB-CG 4.26Å; F205-F215 HydrophobicContact CB-CZ 3.87Å; F205-F215 HydrophobicContact CD2-CB 3.97Å; F205-F215 AromaticContact CD2-CD1 3.85Å; F205-F215 HydrophobicContact CD2-CD1 3.85Å; F205-F215 HydrophobicContact CD2-CD2 4.35Å; F205-F215 HydrophobicContact CD2-CE1 4.42Å; F205-F215 AromaticContact CD2-CG 3.82Å; F205-F215 HydrophobicContact CD2-CG 3.82Å; F205-F215 HydrophobicContact CE2-CB 4.46Å; F205-F215 HydrophobicContact CG-CD1 4.1Å; F205-F215 HydrophobicContact CG-CE1 4.34Å; F205-F215 HydrophobicContact CG-CG 4.5Å; F205-A218 HydrophobicContact CE1-CB 4.15Å; F205-A218 HydrophobicContact CE2-CB 4.35Å; F205-A218 HydrophobicContact CZ-CB 4.05Å; F205-C219 WeakPolarHBondContact CE2-SG 3.46Å; F205-I222 HydrophobicContact CE1-CD1 3.42Å; F205-I222 VanDerWaalsContact CE1-CD1 3.42Å; F205-I222 HydrophobicContact CZ-CD1 3.6Å; F205-I251 HydrophobicContact CD1-CD1 4.24Å; F205-I251 HydrophobicContact CD1-CG1 4.33Å; F205-I251 HydrophobicContact CE1-CD1 4.46Å
206	S	94.5	Very high	93.9	Very high	39 Å²	39	35.7 Å²	35.7	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-42.9	174.4	-54.2	0	0	0	0	111.5	D202 G203 L204 C208 D209 F215	D202-S206 PolarHBondContact O-N 3.01Å; D202-S206 PolarHBondContact O-OG 3.36Å; G203-S206 WeakPolarHBondContact O-CB 3.31Å; G203-S206 PolarHBondContact O-N 3.19Å; L204-S206 VanDerWaalsContact C-N 3.31Å; L204-S206 PolarHBondContact O-N 3.46Å; S206-C208 VanDerWaalsContact C-N 3.27Å; S206-C208 PolarHBondContact O-N 3.39Å; S206-D209 PolarHBondContact O-N 3.13Å; S206-F215 VanDerWaalsContact OG-CZ 3.29Å; S206-F215 WeakPolarHBondContact OG-CZ 3.4Å
207	A	94.2	Very high	93.5	Very high	10 Å²	10	37.5 Å²	37.5	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-25.6	175.6	0	0	0	0	0	113.3	G203 L204 F205 D209 H272 L273 Q276	G203-A207 PolarHBondContact O-N 3.28Å; L204-A207 PolarHBondContact O-N 3.33Å; F205-A207 VanDerWaalsContact C-N 3.34Å; A207-D209 VanDerWaalsContact C-N 3.33Å; A207-H272 HydrophobicContact CB-CB 4.45Å; A207-L273 HydrophobicContact CB-CD1 4.34Å; A207-Q276 HydrophobicContact CB-CG 4.01Å
208	C	94.4	Very high	93.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	13.2	177.1	-61.9	0	0	0	0	113.6	L204 F205 S206 V210 A247 K250 I251	L204-C208 WeakPolarHBondContact O-CB 3.38Å; L204-C208 PolarHBondContact O-N 3.36Å; L204-C208 PolarHBondContact O-SG 3.34Å; F205-C208 CarbonylContact O-C 3.55Å; F205-C208 PolarHBondContact O-N 3.39Å; S206-C208 VanDerWaalsContact C-N 3.27Å; S206-C208 PolarHBondContact O-N 3.39Å; C208-V210 HydrophobicContact CB-CG2 4.16Å; C208-V210 PolarHBondContact O-N 3.28Å; C208-A247 WeakPolarHBondContact O-CA 3.38Å; C208-A247 VanDerWaalsContact O-CB 3.24Å; C208-A247 WeakPolarHBondContact O-CB 3.45Å; C208-K250 HydrophobicContact CB-CB 3.94Å; C208-K250 HydrophobicContact CB-CD 4.48Å; C208-I251 HydrophobicContact CB-CG1 3.93Å
209	D	93.1	Very high	93.1	Very high	115 Å²	115	36.5 Å²	36.5	62%	0.615	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	26.8	-179.1	-52.5	-59.4	0	0	0	114.4	F205 S206 A207 K250	F205-D209 PolarHBondContact O-N 2.97Å; S206-D209 PolarHBondContact O-N 3.13Å; A207-D209 VanDerWaalsContact C-N 3.33Å; D209-K250 IonicContact OD2-NZ 2.66Å; D209-K250 PolarHBondContact OD2-NZ 2.98Å
210	V	94	Very high	92.9	Very high	9 Å²	9	34.3 Å²	34.3	6%	0.055	20%	0.203	C	C	.	.			trans	-78.4	132.5	174.8	-176.3	0	0	0	0	109.1	F205 C208 K214 F215 L243 A247 I251	F205-V210 HydrophobicContact CB-CB 3.9Å; F205-V210 HydrophobicContact CB-CG1 4.39Å; F205-V210 HydrophobicContact CB-CG2 4.12Å; F205-V210 HydrophobicContact CD1-CG2 4.42Å; F205-V210 WeakPolarHBondContact O-CB 3.28Å; F205-V210 WeakPolarHBondContact O-CG2 3.41Å; F205-V210 PolarHBondContact O-N 2.9Å; C208-V210 HydrophobicContact CB-CG2 4.16Å; C208-V210 PolarHBondContact O-N 3.28Å; V210-K214 HydrophobicContact CG1-CB 4.04Å; V210-F215 HydrophobicContact CB-CD1 4.43Å; V210-F215 HydrophobicContact CB-CE1 4.09Å; V210-F215 HydrophobicContact CG1-CD1 4.01Å; V210-F215 HydrophobicContact CG1-CE1 4.14Å; V210-F215 VanDerWaalsContact O-CE1 3.3Å; V210-F215 WeakPolarHBondContact O-CE1 3.36Å; V210-L243 HydrophobicContact CG1-CD2 4.03Å; V210-L243 HydrophobicContact CG1-CG 4.32Å; V210-L243 HydrophobicContact CG2-CD2 3.86Å; V210-A247 HydrophobicContact CG2-CB 4.4Å; V210-I251 HydrophobicContact CG2-CD1 3.79Å; V210-I251 HydrophobicContact CG2-CG1 4.42Å
211	P	93.3	Very high	92.7	Very high	64 Å²	64	34.3 Å²	34.3	42%	0.416	20%	0.203	S	C	.	.			trans	-63.1	139.1	172.4	-25.6	36.3	0	0	0	112.3	N213 K214 F215	P211-N213 WeakPolarHBondContact CB-OD1 3.48Å; P211-N213 PolarHBondContact O-N 2.87Å; P211-N213 VanDerWaalsContact O-N 3.16Å; P211-K214 HydrophobicContact CB-CG 4.4Å; P211-K214 HydrophobicContact CG-CD 4.49Å; P211-K214 WeakPolarHBondContact O-CA 3.45Å; P211-K214 WeakPolarHBondContact O-CB 3.48Å; P211-K214 PolarHBondContact O-N 2.98Å; P211-F215 WeakPolarHBondContact O-CD1 3.08Å
212	S	91.8	Very high	92.6	Very high	95 Å²	95	34.2 Å²	34.2	66%	0.664	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-58	-32.8	-176.3	58.1	0	0	0	0	114.3	K214 F215	S212-K214 PolarHBondContact O-N 2.84Å; S212-K214 VanDerWaalsContact O-N 3.16Å; S212-F215 WeakPolarHBondContact O-CG 3.32Å; S212-F215 PolarHBondContact O-N 3.23Å
213	N	92.2	Very high	92.4	Very high	124 Å²	124	34 Å²	34	66%	0.663	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-67.7	-9.9	175.1	68.3	-44.1	0	0	0	113.8	P211	P211-N213 WeakPolarHBondContact CB-OD1 3.48Å; P211-N213 PolarHBondContact O-N 2.87Å; P211-N213 VanDerWaalsContact O-N 3.16Å
214	K	92.2	Very high	92.2	Very high	53 Å²	53	37.2 Å²	37.2	23%	0.23	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-105.4	1	177.7	-60.4	-165.9	178.7	-158.6	0	113.8	V210 P211 S212 V216 P217 A218 K241 G242 L243	V210-K214 HydrophobicContact CG1-CB 4.04Å; P211-K214 HydrophobicContact CB-CG 4.4Å; P211-K214 HydrophobicContact CG-CD 4.49Å; P211-K214 WeakPolarHBondContact O-CA 3.45Å; P211-K214 WeakPolarHBondContact O-CB 3.48Å; P211-K214 PolarHBondContact O-N 2.98Å; S212-K214 PolarHBondContact O-N 2.84Å; S212-K214 VanDerWaalsContact O-N 3.16Å; K214-V216 PolarHBondContact O-N 3.12Å; K214-P217 WeakPolarHBondContact O-CD 3.44Å; K214-A218 VanDerWaalsContact O-CB 3.26Å; K214-A218 WeakPolarHBondContact O-CB 3.42Å; K214-A218 PolarHBondContact O-N 2.99Å; K214-K241 WeakPolarHBondContact CD-O 3.43Å; K214-K241 PolarHBondContact NZ-O 3Å; K214-G242 PolarHBondContact NZ-O 3.46Å; K214-L243 HydrophobicContact CB-CD1 4.37Å; K214-L243 HydrophobicContact CD-CD1 3.93Å
215	F	91.5	Very high	91.8	Very high	25 Å²	25	38 Å²	38	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-43.4	-178.1	-73.1	6.2	0	0	0	112.9	D202 F205 S206 V210 P211 S212 A218 C219	D202-F215 HydrophobicContact CB-CD2 3.86Å; D202-F215 HydrophobicContact CB-CE2 3.91Å; D202-F215 WeakPolarHBondContact O-CE2 3.46Å; D202-F215 WeakPolarHBondContact OD1-CD2 3.32Å; F205-F215 HydrophobicContact CB-CD1 3.6Å; F205-F215 HydrophobicContact CB-CE1 3.36Å; F205-F215 HydrophobicContact CB-CE2 4.47Å; F205-F215 HydrophobicContact CB-CG 4.26Å; F205-F215 HydrophobicContact CB-CZ 3.87Å; F205-F215 HydrophobicContact CD2-CB 3.97Å; F205-F215 AromaticContact CD2-CD1 3.85Å; F205-F215 HydrophobicContact CD2-CD1 3.85Å; F205-F215 HydrophobicContact CD2-CD2 4.35Å; F205-F215 HydrophobicContact CD2-CE1 4.42Å; F205-F215 AromaticContact CD2-CG 3.82Å; F205-F215 HydrophobicContact CD2-CG 3.82Å; F205-F215 HydrophobicContact CE2-CB 4.46Å; F205-F215 HydrophobicContact CG-CD1 4.1Å; F205-F215 HydrophobicContact CG-CE1 4.34Å; F205-F215 HydrophobicContact CG-CG 4.5Å; S206-F215 VanDerWaalsContact OG-CZ 3.29Å; S206-F215 WeakPolarHBondContact OG-CZ 3.4Å; V210-F215 HydrophobicContact CB-CD1 4.43Å; V210-F215 HydrophobicContact CB-CE1 4.09Å; V210-F215 HydrophobicContact CG1-CD1 4.01Å; V210-F215 HydrophobicContact CG1-CE1 4.14Å; V210-F215 VanDerWaalsContact O-CE1 3.3Å; V210-F215 WeakPolarHBondContact O-CE1 3.36Å; P211-F215 WeakPolarHBondContact O-CD1 3.08Å; S212-F215 WeakPolarHBondContact O-CG 3.32Å; S212-F215 PolarHBondContact O-N 3.23Å; F215-A218 PolarHBondContact O-N 3.24Å; F215-C219 PolarHBondContact O-N 3.03Å; F215-C219 PolarHBondContact O-SG 3.03Å
216	V	88.5	Confident	91.2	Very high	66 Å²	66	41 Å²	41	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-51.6	178.5	173.5	0	0	0	0	111.1	K214 A218 C219 S220	K214-V216 PolarHBondContact O-N 3.12Å; V216-A218 VanDerWaalsContact C-N 3.29Å; V216-A218 PolarHBondContact O-N 2.93Å; V216-C219 WeakPolarHBondContact O-CB 3.31Å; V216-C219 PolarHBondContact O-N 2.93Å; V216-S220 PolarHBondContact O-N 2.81Å
217	P	90	Very high	90.6	Very high	37 Å²	37	43.3 Å²	43.3	24%	0.24	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-36.3	173.2	-25.3	30.9	0	0	0	114.8	K214 S220 S221 K241	K214-P217 WeakPolarHBondContact O-CD 3.44Å; P217-S220 PolarHBondContact O-N 2.86Å; P217-S221 PolarHBondContact O-N 3.44Å; P217-S221 PolarHBondContact O-OG 3.47Å; P217-K241 HydrophobicContact CB-CB 4.49Å; P217-K241 HydrophobicContact CB-CD 3.86Å; P217-K241 HydrophobicContact CB-CG 4.23Å
218	A	92.2	Very high	90.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-45.3	176.4	0	0	0	0	0	111.6	F205 K214 F215 V216 S220 S221 I222 L237	F205-A218 HydrophobicContact CE1-CB 4.15Å; F205-A218 HydrophobicContact CE2-CB 4.35Å; F205-A218 HydrophobicContact CZ-CB 4.05Å; K214-A218 VanDerWaalsContact O-CB 3.26Å; K214-A218 WeakPolarHBondContact O-CB 3.42Å; K214-A218 PolarHBondContact O-N 2.99Å; F215-A218 PolarHBondContact O-N 3.24Å; V216-A218 VanDerWaalsContact C-N 3.29Å; V216-A218 PolarHBondContact O-N 2.93Å; A218-S220 VanDerWaalsContact C-N 3.32Å; A218-S220 PolarHBondContact O-N 3.46Å; A218-S221 PolarHBondContact O-N 2.94Å; A218-S221 VanDerWaalsContact O-N 3.11Å; A218-I222 WeakPolarHBondContact O-CG1 3.4Å; A218-I222 PolarHBondContact O-N 2.89Å; A218-L237 HydrophobicContact CB-CD2 4.12Å
219	C	91.6	Very high	90.2	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-44.6	172.6	-80.3	0	0	0	0	112.6	R198 F205 F215 V216 S221 I222 D223 A309	R198-C219 PolarHBondContact NH1-SG 3.4Å; F205-C219 WeakPolarHBondContact CE2-SG 3.46Å; F215-C219 PolarHBondContact O-N 3.03Å; F215-C219 PolarHBondContact O-SG 3.03Å; V216-C219 WeakPolarHBondContact O-CB 3.31Å; V216-C219 PolarHBondContact O-N 2.93Å; C219-S221 PolarHBondContact O-N 2.83Å; C219-I222 PolarHBondContact O-N 2.81Å; C219-D223 PolarHBondContact O-N 3.49Å; C219-A309 HydrophobicContact CB-CB 4.38Å
220	S	89.5	Confident	90.2	Very high	31 Å²	31	43.4 Å²	43.4	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-32.9	177.8	175.1	0	0	0	0	112.5	V216 P217 A218	V216-S220 PolarHBondContact O-N 2.81Å; P217-S220 PolarHBondContact O-N 2.86Å; A218-S220 VanDerWaalsContact C-N 3.32Å; A218-S220 PolarHBondContact O-N 3.46Å
221	S	91.3	Very high	90.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-75.7	-40.5	176.2	-47.8	0	0	0	0	111.2	P217 A218 C219 K224 V233 E236 K241	P217-S221 PolarHBondContact O-N 3.44Å; P217-S221 PolarHBondContact O-OG 3.47Å; A218-S221 PolarHBondContact O-N 2.94Å; A218-S221 VanDerWaalsContact O-N 3.11Å; C219-S221 PolarHBondContact O-N 2.83Å; S221-K224 WeakPolarHBondContact O-CB 3.31Å; S221-K224 PolarHBondContact O-N 3.31Å; S221-V233 WeakPolarHBondContact O-CG1 3.44Å; S221-E236 PolarHBondContact OG-OE1 2.78Å; S221-K241 WeakPolarHBondContact OG-CE 3.39Å
222	I	92.6	Very high	90.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-36.6	178.2	-70.7	165.4	0	0	0	112	F205 A218 C219 K224 L225 I251 V255 S307 A309	F205-I222 HydrophobicContact CE1-CD1 3.42Å; F205-I222 VanDerWaalsContact CE1-CD1 3.42Å; F205-I222 HydrophobicContact CZ-CD1 3.6Å; A218-I222 WeakPolarHBondContact O-CG1 3.4Å; A218-I222 PolarHBondContact O-N 2.89Å; C219-I222 PolarHBondContact O-N 2.81Å; I222-K224 PolarHBondContact O-N 2.7Å; I222-L225 HydrophobicContact CG2-CD1 4.06Å; I222-L225 VanDerWaalsContact O-CB 3.31Å; I222-L225 WeakPolarHBondContact O-CB 3.41Å; I222-L225 WeakPolarHBondContact O-CG 3.24Å; I222-L225 PolarHBondContact O-N 3.24Å; I222-I251 HydrophobicContact CD1-CG2 3.9Å; I222-I251 HydrophobicContact CG1-CG2 4.49Å; I222-V255 HydrophobicContact CD1-CG1 4.01Å; I222-V255 HydrophobicContact CG1-CG1 4.36Å; I222-V255 HydrophobicContact CG2-CG1 4.31Å; I222-S307 WeakPolarHBondContact CG2-O 3.43Å; I222-A309 HydrophobicContact CB-CB 4.33Å; I222-A309 HydrophobicContact CG2-CB 3.98Å
223	D	90.1	Very high	90.3	Very high	34 Å²	34	43.6 Å²	43.6	18%	0.182	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.1	-22.9	174	179.1	96.1	0	0	0	112.5	C219 K227 A309 G311	C219-D223 PolarHBondContact O-N 3.49Å; D223-K227 IonicContact OD2-NZ 3.18Å; D223-A309 HydrophobicContact CB-CB 4.36Å; D223-G311 PolarHBondContact OD1-N 2.85Å
224	K	88.4	Confident	90.5	Very high	68 Å²	68	41.3 Å²	41.3	30%	0.296	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-82.1	-8.5	178.2	-56.7	173.6	-177.6	177.5	0	114	S221 I222 D226 K227 I228 V233 E236	S221-K224 WeakPolarHBondContact O-CB 3.31Å; S221-K224 PolarHBondContact O-N 3.31Å; I222-K224 PolarHBondContact O-N 2.7Å; K224-D226 PolarHBondContact O-N 3.06Å; K224-D226 VanDerWaalsContact O-N 3.08Å; K224-K227 PolarHBondContact O-N 3.32Å; K224-I228 HydrophobicContact CB-CD1 3.97Å; K224-I228 HydrophobicContact CB-CG1 3.97Å; K224-I228 HydrophobicContact CD-CD1 4.43Å; K224-I228 WeakPolarHBondContact O-CG1 3.21Å; K224-I228 PolarHBondContact O-N 3.22Å; K224-V233 HydrophobicContact CB-CG2 4.49Å; K224-E236 WeakPolarHBondContact CD-OE2 3.33Å; K224-E236 IonicContact NZ-OE1 2.89Å; K224-E236 PolarHBondContact NZ-OE1 2.69Å; K224-E236 IonicContact NZ-OE2 2.68Å; K224-E236 PolarHBondContact NZ-OE2 3.49Å
225	L	88.2	Confident	90.6	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.094	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.2	-17.6	178	-73.5	171.8	0	0	0	113.2	I222 K227 W230 V233 V255	I222-L225 HydrophobicContact CG2-CD1 4.06Å; I222-L225 VanDerWaalsContact O-CB 3.31Å; I222-L225 WeakPolarHBondContact O-CB 3.41Å; I222-L225 WeakPolarHBondContact O-CG 3.24Å; I222-L225 PolarHBondContact O-N 3.24Å; L225-K227 PolarHBondContact O-N 3.16Å; L225-W230 HydrophobicContact CD1-CE3 4.45Å; L225-W230 HydrophobicContact CD2-CB 4.3Å; L225-W230 HydrophobicContact CD2-CE3 3.92Å; L225-V233 HydrophobicContact CD2-CB 3.82Å; L225-V233 HydrophobicContact CD2-CG1 4.17Å; L225-V233 HydrophobicContact CD2-CG2 3.45Å; L225-V233 VanDerWaalsContact CD2-CG2 3.45Å; L225-V233 HydrophobicContact CG-CB 4.42Å; L225-V233 HydrophobicContact CG-CG1 4.32Å; L225-V233 HydrophobicContact CG-CG2 3.9Å; L225-V255 HydrophobicContact CD1-CB 4.1Å; L225-V255 HydrophobicContact CD1-CG2 3.88Å
226	D	81.6	Confident	90.8	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-73.7	-11.7	171.8	74.1	-23.8	0	0	0	113.8	K224 Y329	K224-D226 PolarHBondContact O-N 3.06Å; K224-D226 VanDerWaalsContact O-N 3.08Å; D226-Y329 WeakPolarHBondContact O-CB 3.44Å; D226-Y329 WeakPolarHBondContact O-CD1 3.33Å
227	K	82.1	Confident	91.1	Very high	88 Å²	88	41 Å²	41	38%	0.383	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-30.3	-172.2	-70.4	160.1	-155.6	98.5	0	113.3	D223 K224 L225	D223-K227 IonicContact OD2-NZ 3.18Å; K224-K227 PolarHBondContact O-N 3.32Å; L225-K227 PolarHBondContact O-N 3.16Å
228	I	87.6	Confident	91.3	Very high	51 Å²	51	40.5 Å²	40.5	26%	0.262	20%	0.195	S	C	.	.	S	Bend	trans	-132	152	-175.4	60.8	174.1	0	0	0	111.6	K224 D232 V233	K224-I228 HydrophobicContact CB-CD1 3.97Å; K224-I228 HydrophobicContact CB-CG1 3.97Å; K224-I228 HydrophobicContact CD-CD1 4.43Å; K224-I228 WeakPolarHBondContact O-CG1 3.21Å; K224-I228 PolarHBondContact O-N 3.22Å; I228-D232 HydrophobicContact CB-CB 4.32Å; I228-D232 HydrophobicContact CD1-CB 3.97Å; I228-D232 HydrophobicContact CG1-CB 4.41Å; I228-V233 HydrophobicContact CD1-CG2 3.75Å; I228-V233 HydrophobicContact CG1-CG2 3.68Å
229	P	91.8	Very high	91.4	Very high	44 Å²	44	47.3 Å²	47.3	29%	0.286	23%	0.226	S	C	.	.			trans	-59.1	157.5	176.1	-22.4	32.6	0	0	0	113.8	E231 D232 V233	P229-E231 VanDerWaalsContact CB-OE2 3.29Å; P229-E231 WeakPolarHBondContact CB-OE2 3.39Å; P229-E231 PolarHBondContact O-N 3.1Å; P229-D232 PolarHBondContact O-N 3.03Å; P229-D232 VanDerWaalsContact O-N 3.14Å; P229-V233 PolarHBondContact O-N 3.01Å
230	W	93.3	Very high	91.5	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-36.5	177.6	166	-109.6	0	0	0	112.3	L225 D232 V233 R234 L237 A248 I251 G252 V255	L225-W230 HydrophobicContact CD1-CE3 4.45Å; L225-W230 HydrophobicContact CD2-CB 4.3Å; L225-W230 HydrophobicContact CD2-CE3 3.92Å; W230-D232 PolarHBondContact O-N 3.31Å; W230-V233 HydrophobicContact CE3-CB 4.4Å; W230-V233 HydrophobicContact CE3-CG1 4.4Å; W230-V233 HydrophobicContact CZ3-CG1 4.2Å; W230-V233 PolarHBondContact O-N 3.26Å; W230-R234 HydrophobicContact CD2-CB 4.45Å; W230-R234 HydrophobicContact CH2-CB 4.43Å; W230-R234 HydrophobicContact CZ2-CB 3.91Å; W230-R234 HydrophobicContact CZ2-CG 4.08Å; W230-R234 VanDerWaalsContact O-CB 3.26Å; W230-R234 WeakPolarHBondContact O-CB 3.49Å; W230-R234 PolarHBondContact O-N 2.99Å; W230-L237 HydrophobicContact CH2-CD1 4.06Å; W230-L237 HydrophobicContact CZ3-CD1 4.24Å; W230-A248 VanDerWaalsContact CH2-O 3.27Å; W230-A248 WeakPolarHBondContact CH2-O 3.39Å; W230-A248 WeakPolarHBondContact CZ2-O 3.38Å; W230-I251 HydrophobicContact CH2-CB 4.38Å; W230-I251 HydrophobicContact CH2-CG2 4.1Å; W230-I251 HydrophobicContact CZ3-CG2 4.35Å; W230-G252 VanDerWaalsContact CH2-N 3.33Å; W230-V255 HydrophobicContact CE3-CG2 3.89Å; W230-V255 HydrophobicContact CH2-CG2 4.38Å; W230-V255 HydrophobicContact CZ3-CG2 3.65Å
231	E	93.9	Very high	91.6	Very high	122 Å²	122	53.1 Å²	53.1	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-60.6	-37	-179.6	-64.8	72.2	-159.7	0	0	111.9	P229 R235	P229-E231 VanDerWaalsContact CB-OE2 3.29Å; P229-E231 WeakPolarHBondContact CB-OE2 3.39Å; P229-E231 PolarHBondContact O-N 3.1Å; E231-R235 WeakPolarHBondContact O-CB 3.36Å; E231-R235 PolarHBondContact O-N 3.36Å
232	D	94.1	Very high	91.6	Very high	50 Å²	50	55.2 Å²	55.2	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-74.3	-40.8	177.3	-69.1	-29	0	0	0	111.3	I228 P229 W230 R235 E236	I228-D232 HydrophobicContact CB-CB 4.32Å; I228-D232 HydrophobicContact CD1-CB 3.97Å; I228-D232 HydrophobicContact CG1-CB 4.41Å; P229-D232 PolarHBondContact O-N 3.03Å; P229-D232 VanDerWaalsContact O-N 3.14Å; W230-D232 PolarHBondContact O-N 3.31Å; D232-R235 PolarHBondContact O-N 3.03Å; D232-R235 IonicContact OD1-CZ 3.27Å; D232-R235 IonicContact OD1-NH1 2.95Å; D232-R235 PolarHBondContact OD1-NH1 3.09Å; D232-R235 IonicContact OD1-NH2 3.01Å; D232-R235 PolarHBondContact OD1-NH2 3.15Å; D232-E236 PolarHBondContact O-N 3.43Å
233	V	93.9	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-43.7	174.3	175.9	0	0	0	0	111.3	S221 K224 L225 I228 P229 W230 R235 E236 L237	S221-V233 WeakPolarHBondContact O-CG1 3.44Å; K224-V233 HydrophobicContact CB-CG2 4.49Å; L225-V233 HydrophobicContact CD2-CB 3.82Å; L225-V233 HydrophobicContact CD2-CG1 4.17Å; L225-V233 HydrophobicContact CD2-CG2 3.45Å; L225-V233 VanDerWaalsContact CD2-CG2 3.45Å; L225-V233 HydrophobicContact CG-CB 4.42Å; L225-V233 HydrophobicContact CG-CG1 4.32Å; L225-V233 HydrophobicContact CG-CG2 3.9Å; I228-V233 HydrophobicContact CD1-CG2 3.75Å; I228-V233 HydrophobicContact CG1-CG2 3.68Å; P229-V233 PolarHBondContact O-N 3.01Å; W230-V233 HydrophobicContact CE3-CB 4.4Å; W230-V233 HydrophobicContact CE3-CG1 4.4Å; W230-V233 HydrophobicContact CZ3-CG1 4.2Å; W230-V233 PolarHBondContact O-N 3.26Å; V233-R235 VanDerWaalsContact C-N 3.3Å; V233-R235 PolarHBondContact O-N 2.84Å; V233-E236 PolarHBondContact O-N 3.49Å; V233-L237 HydrophobicContact CG1-CD1 4.09Å; V233-L237 HydrophobicContact CG1-CG 4.3Å; V233-L237 VanDerWaalsContact O-CG 3.3Å; V233-L237 WeakPolarHBondContact O-CG 3.46Å; V233-L237 PolarHBondContact O-N 3.45Å
234	R	95.5	Very high	92	Very high	76 Å²	76	56.7 Å²	56.7	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-44.6	175.4	-175.5	-170	-179.1	-80.2	-1.4	110.8	W230 L237 C238 A248 D249	W230-R234 HydrophobicContact CD2-CB 4.45Å; W230-R234 HydrophobicContact CH2-CB 4.43Å; W230-R234 HydrophobicContact CZ2-CB 3.91Å; W230-R234 HydrophobicContact CZ2-CG 4.08Å; W230-R234 VanDerWaalsContact O-CB 3.26Å; W230-R234 WeakPolarHBondContact O-CB 3.49Å; W230-R234 PolarHBondContact O-N 2.99Å; R234-L237 PolarHBondContact O-N 3.03Å; R234-C238 PolarHBondContact O-N 3.2Å; R234-C238 PolarHBondContact O-SG 3.12Å; R234-A248 HydrophobicContact CG-CB 4.11Å; R234-D249 IonicContact CZ-OD1 2.67Å; R234-D249 VanDerWaalsContact CZ-OD1 3.27Å; R234-D249 IonicContact CZ-OD2 3.56Å; R234-D249 IonicContact NE-OD1 2.82Å; R234-D249 PolarHBondContact NE-OD1 3.48Å; R234-D249 VanDerWaalsContact NH2-CG 3.34Å; R234-D249 IonicContact NH2-OD1 3.58Å; R234-D249 PolarHBondContact NH2-OD1 3.3Å; R234-D249 IonicContact NH2-OD2 3.52Å; R234-D249 PolarHBondContact NH2-OD2 2.77Å
235	R	95.6	Very high	92.3	Very high	115 Å²	115	56.4 Å²	56.4	43%	0.434	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-46.7	175.9	-172.3	174.5	60.7	-105.8	-2.6	111.1	E231 D232 V233 L237 C238 E239	E231-R235 WeakPolarHBondContact O-CB 3.36Å; E231-R235 PolarHBondContact O-N 3.36Å; D232-R235 PolarHBondContact O-N 3.03Å; D232-R235 IonicContact OD1-CZ 3.27Å; D232-R235 IonicContact OD1-NH1 2.95Å; D232-R235 PolarHBondContact OD1-NH1 3.09Å; D232-R235 IonicContact OD1-NH2 3.01Å; D232-R235 PolarHBondContact OD1-NH2 3.15Å; V233-R235 VanDerWaalsContact C-N 3.3Å; V233-R235 PolarHBondContact O-N 2.84Å; R235-L237 PolarHBondContact O-N 3.28Å; R235-C238 PolarHBondContact O-N 3.01Å; R235-E239 HydrophobicContact CG-CG 4.04Å; R235-E239 WeakPolarHBondContact CG-OE1 3.4Å; R235-E239 WeakPolarHBondContact CG-OE2 3.47Å; R235-E239 WeakPolarHBondContact O-CB 3.42Å; R235-E239 WeakPolarHBondContact O-CG 3.11Å; R235-E239 PolarHBondContact O-N 2.99Å
236	E	94.5	Very high	92.6	Very high	22 Å²	22	61.4 Å²	61.4	10%	0.103	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-44.2	175.5	179.7	174.8	166.2	0	0	112.2	S221 K224 D232 V233 C238 D240 K241	S221-E236 PolarHBondContact OG-OE1 2.78Å; K224-E236 WeakPolarHBondContact CD-OE2 3.33Å; K224-E236 IonicContact NZ-OE1 2.89Å; K224-E236 PolarHBondContact NZ-OE1 2.69Å; K224-E236 IonicContact NZ-OE2 2.68Å; K224-E236 PolarHBondContact NZ-OE2 3.49Å; D232-E236 PolarHBondContact O-N 3.43Å; V233-E236 PolarHBondContact O-N 3.49Å; E236-C238 VanDerWaalsContact C-N 3.3Å; E236-C238 PolarHBondContact O-N 3.39Å; E236-D240 HydrophobicContact CG-CB 4.07Å; E236-D240 WeakPolarHBondContact O-CA 3.36Å; E236-D240 WeakPolarHBondContact O-CB 3.03Å; E236-D240 PolarHBondContact O-N 3.27Å; E236-K241 PolarHBondContact O-N 3.47Å; E236-K241 WeakPolarHBondContact OE1-CE 3.44Å; E236-K241 IonicContact OE1-NZ 2.81Å
237	L	94.8	Very high	93.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-42.3	177.8	-73.8	171.9	0	0	0	111.6	A218 W230 V233 R234 R235 K241 G242 L243 A248 I251	A218-L237 HydrophobicContact CB-CD2 4.12Å; W230-L237 HydrophobicContact CH2-CD1 4.06Å; W230-L237 HydrophobicContact CZ3-CD1 4.24Å; V233-L237 HydrophobicContact CG1-CD1 4.09Å; V233-L237 HydrophobicContact CG1-CG 4.3Å; V233-L237 VanDerWaalsContact O-CG 3.3Å; V233-L237 WeakPolarHBondContact O-CG 3.46Å; V233-L237 PolarHBondContact O-N 3.45Å; R234-L237 PolarHBondContact O-N 3.03Å; R235-L237 PolarHBondContact O-N 3.28Å; L237-K241 CarbonylContact O-C 3.51Å; L237-K241 WeakPolarHBondContact O-CB 3.38Å; L237-G242 PolarHBondContact O-N 3.18Å; L237-L243 HydrophobicContact CD2-CD2 4.2Å; L237-L243 WeakPolarHBondContact O-CB 3.31Å; L237-L243 PolarHBondContact O-N 2.74Å; L237-A248 HydrophobicContact CB-CB 4.43Å; L237-I251 HydrophobicContact CD1-CD1 4.47Å; L237-I251 HydrophobicContact CD1-CG2 4.48Å
238	C	95.1	Very high	93.8	Very high	28 Å²	28	54.4 Å²	54.4	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-77.4	-52.8	179.5	-67.7	0	0	0	0	113	R234 R235 E236 G242	R234-C238 PolarHBondContact O-N 3.2Å; R234-C238 PolarHBondContact O-SG 3.12Å; R235-C238 PolarHBondContact O-N 3.01Å; E236-C238 VanDerWaalsContact C-N 3.3Å; E236-C238 PolarHBondContact O-N 3.39Å; C238-G242 VanDerWaalsContact O-CA 3.22Å; C238-G242 WeakPolarHBondContact O-CA 3.38Å; C238-G242 PolarHBondContact O-N 2.86Å
239	E	94.5	Very high	94.2	Very high	143 Å²	143	55.8 Å²	55.8	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-80.6	-44.6	-169.4	-64.4	-180	-177.5	0	0	112.3	R235	R235-E239 HydrophobicContact CG-CG 4.04Å; R235-E239 WeakPolarHBondContact CG-OE1 3.4Å; R235-E239 WeakPolarHBondContact CG-OE2 3.47Å; R235-E239 WeakPolarHBondContact O-CB 3.42Å; R235-E239 WeakPolarHBondContact O-CG 3.11Å; R235-E239 PolarHBondContact O-N 2.99Å
240	D	92.7	Very high	94.4	Very high	119 Å²	119	57.5 Å²	57.5	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-38.6	-173.1	-63.9	-21.7	0	0	0	112.1	E236	E236-D240 HydrophobicContact CG-CB 4.07Å; E236-D240 WeakPolarHBondContact O-CA 3.36Å; E236-D240 WeakPolarHBondContact O-CB 3.03Å; E236-D240 PolarHBondContact O-N 3.27Å
241	K	91.7	Very high	94.4	Very high	43 Å²	43	56 Å²	56	19%	0.187	29%	0.286	C	S	.	.	S	Bend	trans	-94.9	-12.6	-179	-47.8	-47.3	-167.1	178.6	0	112.7	K214 P217 S221 E236 L237 L243	K214-K241 WeakPolarHBondContact CD-O 3.43Å; K214-K241 PolarHBondContact NZ-O 3Å; P217-K241 HydrophobicContact CB-CB 4.49Å; P217-K241 HydrophobicContact CB-CD 3.86Å; P217-K241 HydrophobicContact CB-CG 4.23Å; S221-K241 WeakPolarHBondContact OG-CE 3.39Å; E236-K241 PolarHBondContact O-N 3.47Å; E236-K241 WeakPolarHBondContact OE1-CE 3.44Å; E236-K241 IonicContact OE1-NZ 2.81Å; L237-K241 CarbonylContact O-C 3.51Å; L237-K241 WeakPolarHBondContact O-CB 3.38Å; K241-L243 HydrophobicContact CB-CD1 3.73Å
242	G	92.8	Very high	94.5	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	26%	0.261	S	S	.	.			trans	69.5	32	175.2	0	0	0	0	0	114.3	K214 L237 C238	K214-G242 PolarHBondContact NZ-O 3.46Å; L237-G242 PolarHBondContact O-N 3.18Å; C238-G242 VanDerWaalsContact O-CA 3.22Å; C238-G242 WeakPolarHBondContact O-CA 3.38Å; C238-G242 PolarHBondContact O-N 2.86Å
243	L	94	Very high	94.4	Very high	10 Å²	10	51 Å²	51	5%	0.052	27%	0.27	C	S	.	.			trans	-76.2	152.6	170.5	-80.7	69.8	0	0	0	109.8	V210 K214 L237 K241 I251	V210-L243 HydrophobicContact CG1-CD2 4.03Å; V210-L243 HydrophobicContact CG1-CG 4.32Å; V210-L243 HydrophobicContact CG2-CD2 3.86Å; K214-L243 HydrophobicContact CB-CD1 4.37Å; K214-L243 HydrophobicContact CD-CD1 3.93Å; L237-L243 HydrophobicContact CD2-CD2 4.2Å; L237-L243 WeakPolarHBondContact O-CB 3.31Å; L237-L243 PolarHBondContact O-N 2.74Å; K241-L243 HydrophobicContact CB-CD1 3.73Å; L243-I251 HydrophobicContact CD2-CD1 3.63Å
244	S	95	Very high	94.5	Very high	55 Å²	55	52.1 Å²	52.1	39%	0.385	27%	0.274	S	S	.	.			trans	-68.4	149	172.7	71.7	0	0	0	0	110.4	E246 A247 A248	S244-E246 WeakPolarHBondContact CB-OE2 3.4Å; S244-E246 PolarHBondContact O-N 2.98Å; S244-E246 PolarHBondContact OG-OE2 3.49Å; S244-A247 PolarHBondContact O-N 2.92Å; S244-A247 VanDerWaalsContact O-N 3.15Å; S244-A247 WeakPolarHBondContact OG-CB 3.22Å; S244-A247 PolarHBondContact OG-N 3.17Å; S244-A247 VanDerWaalsContact OG-N 3.15Å; S244-A248 PolarHBondContact O-N 3.2Å
245	P	94.9	Very high	94.4	Very high	63 Å²	63	48.6 Å²	48.6	41%	0.409	26%	0.261	S	S	.	.	H	α-helix	trans	-52.8	-39.3	173.9	-27.3	36.2	0	0	0	112.7	A248 D249	P245-A248 PolarHBondContact O-N 3.08Å; P245-D249 WeakPolarHBondContact O-CB 3.41Å; P245-D249 VanDerWaalsContact O-CG 3.23Å; P245-D249 PolarHBondContact O-N 3.26Å
246	E	95.2	Very high	94.1	Very high	123 Å²	123	48.9 Å²	48.9	58%	0.575	27%	0.267	S	S	*	.	H	α-helix	trans	-65.3	-42.1	179.3	-58.3	73.3	-158.5	0	0	111.7	S244 D249 K250	S244-E246 WeakPolarHBondContact CB-OE2 3.4Å; S244-E246 PolarHBondContact O-N 2.98Å; S244-E246 PolarHBondContact OG-OE2 3.49Å; E246-D249 PolarHBondContact O-N 3.31Å; E246-K250 VanDerWaalsContact O-CG 3.32Å; E246-K250 WeakPolarHBondContact O-CG 3.29Å; E246-K250 PolarHBondContact O-N 3.42Å
247	A	94.7	Very high	94.1	Very high	3 Å²	3	49 Å²	49	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-42.1	176	0	0	0	0	0	110.9	C208 V210 S244 K250 I251	C208-A247 WeakPolarHBondContact O-CA 3.38Å; C208-A247 VanDerWaalsContact O-CB 3.24Å; C208-A247 WeakPolarHBondContact O-CB 3.45Å; V210-A247 HydrophobicContact CG2-CB 4.4Å; S244-A247 PolarHBondContact O-N 2.92Å; S244-A247 VanDerWaalsContact O-N 3.15Å; S244-A247 WeakPolarHBondContact OG-CB 3.22Å; S244-A247 PolarHBondContact OG-N 3.17Å; S244-A247 VanDerWaalsContact OG-N 3.15Å; A247-K250 PolarHBondContact O-N 3.26Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.43Å; A247-I251 PolarHBondContact O-N 2.54Å
248	A	95.1	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.5	0	0	0	0	0	111.9	W230 R234 L237 S244 P245 I251 G252	W230-A248 VanDerWaalsContact CH2-O 3.27Å; W230-A248 WeakPolarHBondContact CH2-O 3.39Å; W230-A248 WeakPolarHBondContact CZ2-O 3.38Å; R234-A248 HydrophobicContact CG-CB 4.11Å; L237-A248 HydrophobicContact CB-CB 4.43Å; S244-A248 PolarHBondContact O-N 3.2Å; P245-A248 PolarHBondContact O-N 3.08Å; A248-I251 WeakPolarHBondContact O-CB 3.45Å; A248-I251 PolarHBondContact O-N 2.9Å; A248-G252 PolarHBondContact O-N 2.94Å
249	D	95.3	Very high	94.2	Very high	79 Å²	79	52.6 Å²	52.6	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.4	-70.9	-29.3	0	0	0	112.2	R234 P245 E246 G252 S253	R234-D249 IonicContact CZ-OD1 2.67Å; R234-D249 VanDerWaalsContact CZ-OD1 3.27Å; R234-D249 IonicContact CZ-OD2 3.56Å; R234-D249 IonicContact NE-OD1 2.82Å; R234-D249 PolarHBondContact NE-OD1 3.48Å; R234-D249 VanDerWaalsContact NH2-CG 3.34Å; R234-D249 IonicContact NH2-OD1 3.58Å; R234-D249 PolarHBondContact NH2-OD1 3.3Å; R234-D249 IonicContact NH2-OD2 3.52Å; R234-D249 PolarHBondContact NH2-OD2 2.77Å; P245-D249 WeakPolarHBondContact O-CB 3.41Å; P245-D249 VanDerWaalsContact O-CG 3.23Å; P245-D249 PolarHBondContact O-N 3.26Å; E246-D249 PolarHBondContact O-N 3.31Å; D249-G252 PolarHBondContact O-N 3.47Å; D249-S253 PolarHBondContact O-N 3.36Å; D249-S253 VanDerWaalsContact O-N 3.14Å
250	K	95.2	Very high	94.2	Very high	81 Å²	81	46.8 Å²	46.8	35%	0.352	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-46.9	172.3	-71.8	178.1	-175.6	-172.9	0	111.4	C208 D209 E246 A247 G252 S253 Y254	C208-K250 HydrophobicContact CB-CB 3.94Å; C208-K250 HydrophobicContact CB-CD 4.48Å; D209-K250 IonicContact OD2-NZ 2.66Å; D209-K250 PolarHBondContact OD2-NZ 2.98Å; E246-K250 VanDerWaalsContact O-CG 3.32Å; E246-K250 WeakPolarHBondContact O-CG 3.29Å; E246-K250 PolarHBondContact O-N 3.42Å; A247-K250 PolarHBondContact O-N 3.26Å; K250-G252 VanDerWaalsContact C-N 3.28Å; K250-G252 PolarHBondContact O-N 2.72Å; K250-S253 WeakPolarHBondContact O-CB 3.39Å; K250-S253 PolarHBondContact O-N 3.14Å; K250-S253 PolarHBondContact O-OG 3.26Å; K250-Y254 VanDerWaalsContact O-CD2 3.28Å; K250-Y254 WeakPolarHBondContact O-CD2 3.46Å
251	I	95	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.4	-47.2	175	-69.5	166	0	0	0	110.1	L204 F205 C208 V210 I222 W230 L237 L243 A247 A248 S253 Y254 V255	L204-I251 HydrophobicContact CD2-CG1 4.26Å; F205-I251 HydrophobicContact CD1-CD1 4.24Å; F205-I251 HydrophobicContact CD1-CG1 4.33Å; F205-I251 HydrophobicContact CE1-CD1 4.46Å; C208-I251 HydrophobicContact CB-CG1 3.93Å; V210-I251 HydrophobicContact CG2-CD1 3.79Å; V210-I251 HydrophobicContact CG2-CG1 4.42Å; I222-I251 HydrophobicContact CD1-CG2 3.9Å; I222-I251 HydrophobicContact CG1-CG2 4.49Å; W230-I251 HydrophobicContact CH2-CB 4.38Å; W230-I251 HydrophobicContact CH2-CG2 4.1Å; W230-I251 HydrophobicContact CZ3-CG2 4.35Å; L237-I251 HydrophobicContact CD1-CD1 4.47Å; L237-I251 HydrophobicContact CD1-CG2 4.48Å; L243-I251 HydrophobicContact CD2-CD1 3.63Å; A247-I251 VanDerWaalsContact O-CG1 3.25Å; A247-I251 WeakPolarHBondContact O-CG1 3.43Å; A247-I251 PolarHBondContact O-N 2.54Å; A248-I251 WeakPolarHBondContact O-CB 3.45Å; A248-I251 PolarHBondContact O-N 2.9Å; I251-S253 VanDerWaalsContact C-N 3.26Å; I251-S253 PolarHBondContact O-N 3.49Å; I251-Y254 PolarHBondContact O-N 3.01Å; I251-V255 HydrophobicContact CG2-CG1 3.69Å; I251-V255 HydrophobicContact CG2-CG2 4.37Å; I251-V255 WeakPolarHBondContact O-CG2 2.98Å; I251-V255 PolarHBondContact O-N 2.96Å
252	G	94.2	Very high	94.4	Very high	4 Å²	4	46.1 Å²	46.1	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-51.9	-42.8	178.2	0	0	0	0	0	113.4	W230 A248 D249 K250 Y254 Q256	W230-G252 VanDerWaalsContact CH2-N 3.33Å; A248-G252 PolarHBondContact O-N 2.94Å; D249-G252 PolarHBondContact O-N 3.47Å; K250-G252 VanDerWaalsContact C-N 3.28Å; K250-G252 PolarHBondContact O-N 2.72Å; G252-Y254 PolarHBondContact O-N 2.95Å; G252-Q256 VanDerWaalsContact O-CG 3.27Å; G252-Q256 WeakPolarHBondContact O-CG 3.29Å; G252-Q256 PolarHBondContact O-N 2.5Å
253	S	93.7	Very high	94.6	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-25.8	179.7	77.6	0	0	0	0	114.1	D249 K250 I251 L257	D249-S253 PolarHBondContact O-N 3.36Å; D249-S253 VanDerWaalsContact O-N 3.14Å; K250-S253 WeakPolarHBondContact O-CB 3.39Å; K250-S253 PolarHBondContact O-N 3.14Å; K250-S253 PolarHBondContact O-OG 3.26Å; I251-S253 VanDerWaalsContact C-N 3.26Å; I251-S253 PolarHBondContact O-N 3.49Å; S253-L257 WeakPolarHBondContact O-CG 3.2Å
254	Y	94.7	Very high	94.7	Very high	22 Å²	22	43.8 Å²	43.8	9%	0.086	24%	0.244	C	C	.	.	H	α-helix	trans	-93.5	-47.9	177.3	-69.1	-71.9	0	0	0	112.6	L204 K250 I251 G252 Q256 L257 L267 D270 L273 L306	L204-Y254 VanDerWaalsContact CD1-CB 3.43Å; L204-Y254 HydrophobicContact CD1-CD2 4.33Å; L204-Y254 HydrophobicContact CD1-CG 3.9Å; L204-Y254 HydrophobicContact CD2-CD2 4.27Å; L204-Y254 HydrophobicContact CG-CD2 3.94Å; L204-Y254 HydrophobicContact CG-CG 4Å; K250-Y254 VanDerWaalsContact O-CD2 3.28Å; K250-Y254 WeakPolarHBondContact O-CD2 3.46Å; I251-Y254 PolarHBondContact O-N 3.01Å; G252-Y254 PolarHBondContact O-N 2.95Å; Y254-Q256 PolarHBondContact O-N 3.2Å; Y254-Q256 VanDerWaalsContact O-N 3.07Å; Y254-L257 HydrophobicContact CD1-CD1 4.44Å; Y254-L257 VanDerWaalsContact O-CB 3.27Å; Y254-L257 WeakPolarHBondContact O-CB 3.28Å; Y254-L257 WeakPolarHBondContact O-CG 3.42Å; Y254-L257 PolarHBondContact O-N 3.36Å; Y254-L267 HydrophobicContact CD1-CD2 4.09Å; Y254-L267 HydrophobicContact CE1-CD2 4.28Å; Y254-D270 VanDerWaalsContact CE1-OD2 3.25Å; Y254-D270 WeakPolarHBondContact CE1-OD2 3.28Å; Y254-D270 PolarHBondContact OH-OD2 2.84Å; Y254-L273 HydrophobicContact CE1-CD2 4.45Å; Y254-L306 WeakPolarHBondContact O-CB 3.36Å; Y254-L306 WeakPolarHBondContact O-CD1 3.24Å
255	V	93.5	Very high	94.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-14.2	-172.3	-60.8	0	0	0	0	113.5	I222 L225 W230 I251 L257 S307	I222-V255 HydrophobicContact CD1-CG1 4.01Å; I222-V255 HydrophobicContact CG1-CG1 4.36Å; I222-V255 HydrophobicContact CG2-CG1 4.31Å; L225-V255 HydrophobicContact CD1-CB 4.1Å; L225-V255 HydrophobicContact CD1-CG2 3.88Å; W230-V255 HydrophobicContact CE3-CG2 3.89Å; W230-V255 HydrophobicContact CH2-CG2 4.38Å; W230-V255 HydrophobicContact CZ3-CG2 3.65Å; I251-V255 HydrophobicContact CG2-CG1 3.69Å; I251-V255 HydrophobicContact CG2-CG2 4.37Å; I251-V255 WeakPolarHBondContact O-CG2 2.98Å; I251-V255 PolarHBondContact O-N 2.96Å; V255-L257 VanDerWaalsContact C-N 3.32Å; V255-S307 WeakPolarHBondContact O-CA 3.46Å; V255-S307 WeakPolarHBondContact O-CB 3.24Å; V255-S307 PolarHBondContact O-N 3.26Å
256	Q	90.4	Very high	94.8	Very high	121 Å²	121	50.1 Å²	50.1	57%	0.565	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.5	173.3	-67.1	177.3	-13.5	0	0	113.3	G252 Y254	G252-Q256 VanDerWaalsContact O-CG 3.27Å; G252-Q256 WeakPolarHBondContact O-CG 3.29Å; G252-Q256 PolarHBondContact O-N 2.5Å; Y254-Q256 PolarHBondContact O-N 3.2Å; Y254-Q256 VanDerWaalsContact O-N 3.07Å
257	L	94.6	Very high	94.8	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	23%	0.228	C	C	.	.			trans	-86	129.6	-178.9	-56.6	179.1	0	0	0	111.6	S253 Y254 V255 L263 L267 L306	S253-L257 WeakPolarHBondContact O-CG 3.2Å; Y254-L257 HydrophobicContact CD1-CD1 4.44Å; Y254-L257 VanDerWaalsContact O-CB 3.27Å; Y254-L257 WeakPolarHBondContact O-CB 3.28Å; Y254-L257 WeakPolarHBondContact O-CG 3.42Å; Y254-L257 PolarHBondContact O-N 3.36Å; V255-L257 VanDerWaalsContact C-N 3.32Å; L257-L263 HydrophobicContact CB-CD1 3.84Å; L257-L263 HydrophobicContact CB-CD2 4.3Å; L257-L263 HydrophobicContact CD1-CD1 4.11Å; L257-L267 HydrophobicContact CD1-CD2 4.32Å; L257-L306 HydrophobicContact CB-CD1 4.27Å; L257-L306 HydrophobicContact CD1-CD1 4.47Å; L257-L306 PolarHBondContact O-N 3.29Å; L257-L306 VanDerWaalsContact O-N 3.12Å
258	T	95.2	Very high	94.8	Very high	86 Å²	86	46.7 Å²	46.7	53%	0.528	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143	173.8	62.9	0	0	0	0	109.9	F304 D305	T258-F304 CarbonylContact C-O 3.48Å; T258-F304 VanDerWaalsContact CA-O 3.27Å; T258-F304 WeakPolarHBondContact CA-O 3.28Å; T258-D305 HydrophobicContact CG2-CB 4.14Å
259	G	95.3	Very high	94.7	Very high	18 Å²	18	51.3 Å²	51.3	19%	0.186	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-146.8	178.6	0	0	0	0	0	112.3	F304	G259-F304 PolarHBondContact N-O 3.46Å; G259-F304 WeakPolarHBondContact O-CB 3.37Å; G259-F304 PolarHBondContact O-N 2.94Å
260	C	94.1	Very high	94.7	Very high	21 Å²	21	49.5 Å²	49.5	14%	0.142	26%	0.261	C	S	.	.	S	Bend	trans	-137.6	-123.7	175.7	-167.5	0	0	0	0	109	D262 L263 V264	C260-D262 VanDerWaalsContact C-N 3.28Å; C260-D262 WeakPolarHBondContact CA-OD1 3.26Å; C260-D262 PolarHBondContact N-OD1 3.18Å; C260-D262 PolarHBondContact O-N 2.73Å; C260-L263 PolarHBondContact O-N 3.49Å; C260-V264 PolarHBondContact O-N 3.42Å
261	L	94.3	Very high	94.5	Very high	47 Å²	47	52.7 Å²	52.7	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-33.6	178.6	-167.4	65.1	0	0	0	112.5	L263 V264 E265 R287 L290	L261-L263 VanDerWaalsContact C-N 3.29Å; L261-L263 PolarHBondContact O-N 3.44Å; L261-V264 WeakPolarHBondContact O-CB 3.43Å; L261-V264 PolarHBondContact O-N 3.35Å; L261-V264 VanDerWaalsContact O-N 3.16Å; L261-E265 WeakPolarHBondContact O-CG 3.45Å; L261-E265 PolarHBondContact O-N 2.87Å; L261-R287 HydrophobicContact CD1-CG 4.08Å; L261-L290 HydrophobicContact CD1-CD1 4.36Å
262	D	95.9	Very high	94.2	Very high	100 Å²	100	58.6 Å²	58.6	54%	0.535	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-39.1	174.4	61.8	-58.7	0	0	0	112	C260 E265 R266	C260-D262 VanDerWaalsContact C-N 3.28Å; C260-D262 WeakPolarHBondContact CA-OD1 3.26Å; C260-D262 PolarHBondContact N-OD1 3.18Å; C260-D262 PolarHBondContact O-N 2.73Å; D262-E265 PolarHBondContact O-N 3.17Å; D262-R266 WeakPolarHBondContact O-CB 3.37Å; D262-R266 PolarHBondContact O-N 3.2Å
263	L	96.1	Very high	94.1	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-38.5	176	179.4	58.7	0	0	0	111.1	L257 C260 L261 E265 R266 L267 F304	L257-L263 HydrophobicContact CB-CD1 3.84Å; L257-L263 HydrophobicContact CB-CD2 4.3Å; L257-L263 HydrophobicContact CD1-CD1 4.11Å; C260-L263 PolarHBondContact O-N 3.49Å; L261-L263 VanDerWaalsContact C-N 3.29Å; L261-L263 PolarHBondContact O-N 3.44Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 2.89Å; L263-R266 PolarHBondContact O-N 3.18Å; L263-L267 HydrophobicContact CD1-CD1 4.14Å; L263-L267 HydrophobicContact CD1-CD2 4.42Å; L263-L267 HydrophobicContact CD1-CG 4.01Å; L263-L267 HydrophobicContact CG-CD1 4.03Å; L263-L267 HydrophobicContact CG-CG 4.35Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.31Å; L263-L267 PolarHBondContact O-N 3.19Å; L263-F304 HydrophobicContact CB-CD1 4.01Å; L263-F304 HydrophobicContact CD2-CB 4.44Å; L263-F304 HydrophobicContact CD2-CD1 3.72Å; L263-F304 HydrophobicContact CD2-CE1 4.12Å; L263-F304 HydrophobicContact CD2-CG 4.08Å; L263-F304 HydrophobicContact CG-CD1 3.82Å; L263-F304 HydrophobicContact CG-CE1 3.99Å
264	V	96.2	Very high	93.8	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-46.9	173.9	179.4	0	0	0	0	110.7	C260 L261 R266 L267 E268 L283 M286 R287 L290 F304	C260-V264 PolarHBondContact O-N 3.42Å; L261-V264 WeakPolarHBondContact O-CB 3.43Å; L261-V264 PolarHBondContact O-N 3.35Å; L261-V264 VanDerWaalsContact O-N 3.16Å; V264-R266 VanDerWaalsContact C-N 3.34Å; V264-R266 PolarHBondContact O-N 3.32Å; V264-L267 PolarHBondContact O-N 2.78Å; V264-E268 HydrophobicContact CG1-CG 4.3Å; V264-E268 WeakPolarHBondContact O-CB 3.29Å; V264-E268 WeakPolarHBondContact O-CG 3.22Å; V264-E268 PolarHBondContact O-N 2.78Å; V264-L283 HydrophobicContact CG1-CD2 4.39Å; V264-M286 HydrophobicContact CG2-CB 4.45Å; V264-R287 HydrophobicContact CG1-CB 4.15Å; V264-L290 HydrophobicContact CG2-CD1 3.71Å; V264-F304 HydrophobicContact CG2-CD1 3.71Å; V264-F304 HydrophobicContact CG2-CE1 3.63Å
265	E	95.8	Very high	93.7	Very high	95 Å²	95	62.9 Å²	62.9	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-41.5	177.6	-71.8	171	-176	0	0	112.6	L261 D262 L263 S269 R287	L261-E265 WeakPolarHBondContact O-CG 3.45Å; L261-E265 PolarHBondContact O-N 2.87Å; D262-E265 PolarHBondContact O-N 3.17Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 2.89Å; E265-S269 WeakPolarHBondContact O-CB 3.49Å; E265-S269 PolarHBondContact O-N 2.89Å; E265-S269 VanDerWaalsContact O-N 3.12Å; E265-S269 PolarHBondContact O-OG 3.34Å; E265-R287 IonicContact OE1-NH1 3.6Å
266	R	95.9	Very high	93.7	Very high	155 Å²	155	65.3 Å²	65.3	59%	0.585	34%	0.335	S	S	*	.	H	α-helix	trans	-61.4	-44.5	175.1	179.2	177.6	173.6	-179.1	-4	111.9	D262 L263 V264 S269 D270	D262-R266 WeakPolarHBondContact O-CB 3.37Å; D262-R266 PolarHBondContact O-N 3.2Å; L263-R266 PolarHBondContact O-N 3.18Å; V264-R266 VanDerWaalsContact C-N 3.34Å; V264-R266 PolarHBondContact O-N 3.32Å; R266-S269 PolarHBondContact O-N 3.26Å; R266-D270 PolarHBondContact O-N 3.48Å
267	L	95.6	Very high	93.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-73.1	-33.8	-178.7	-67.2	175.1	0	0	0	112.6	Y254 L257 L263 V264 S269 D270 L273 L283 F304 L306	Y254-L267 HydrophobicContact CD1-CD2 4.09Å; Y254-L267 HydrophobicContact CE1-CD2 4.28Å; L257-L267 HydrophobicContact CD1-CD2 4.32Å; L263-L267 HydrophobicContact CD1-CD1 4.14Å; L263-L267 HydrophobicContact CD1-CD2 4.42Å; L263-L267 HydrophobicContact CD1-CG 4.01Å; L263-L267 HydrophobicContact CG-CD1 4.03Å; L263-L267 HydrophobicContact CG-CG 4.35Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.31Å; L263-L267 PolarHBondContact O-N 3.19Å; V264-L267 PolarHBondContact O-N 2.78Å; L267-S269 PolarHBondContact O-N 3.28Å; L267-D270 PolarHBondContact O-N 2.94Å; L267-L273 HydrophobicContact CB-CD2 3.97Å; L267-L273 HydrophobicContact CD2-CD2 3.81Å; L267-L273 HydrophobicContact CG-CD2 4.32Å; L267-L283 HydrophobicContact CB-CD1 4Å; L267-L283 HydrophobicContact CB-CD2 3.72Å; L267-L283 HydrophobicContact CD1-CD2 3.9Å; L267-L283 HydrophobicContact CG-CD2 4.49Å; L267-F304 HydrophobicContact CD1-CE1 3.75Å; L267-F304 HydrophobicContact CD1-CZ 3.89Å; L267-L306 HydrophobicContact CD1-CD1 3.91Å; L267-L306 HydrophobicContact CD1-CD2 4.22Å; L267-L306 HydrophobicContact CD1-CG 4.44Å; L267-L306 HydrophobicContact CD2-CD1 4.05Å
268	E	94.3	Very high	93.8	Very high	52 Å²	52	65 Å²	65	24%	0.243	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-28.5	172.5	-74.9	176.2	169.5	0	0	112.2	V264 D270 N274 L283 R287	V264-E268 HydrophobicContact CG1-CG 4.3Å; V264-E268 WeakPolarHBondContact O-CB 3.29Å; V264-E268 WeakPolarHBondContact O-CG 3.22Å; V264-E268 PolarHBondContact O-N 2.78Å; E268-D270 VanDerWaalsContact C-N 3.34Å; E268-N274 PolarHBondContact O-ND2 3.43Å; E268-L283 HydrophobicContact CG-CB 4.02Å; E268-L283 HydrophobicContact CG-CD1 4Å; E268-R287 IonicContact OE1-CZ 3.94Å; E268-R287 IonicContact OE1-NE 2.77Å; E268-R287 PolarHBondContact OE1-NE 3.14Å; E268-R287 IonicContact OE1-NH2 3.95Å; E268-R287 IonicContact OE2-CZ 3.25Å; E268-R287 IonicContact OE2-NE 3.21Å; E268-R287 IonicContact OE2-NH2 3.6Å; E268-R287 PolarHBondContact OE2-NH2 3.18Å
269	S	94.3	Very high	93.8	Very high	98 Å²	98	60.9 Å²	60.9	69%	0.685	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.1	176.4	-55.8	0	0	0	0	113.5	E265 R266 L267 E271	E265-S269 WeakPolarHBondContact O-CB 3.49Å; E265-S269 PolarHBondContact O-N 2.89Å; E265-S269 VanDerWaalsContact O-N 3.12Å; E265-S269 PolarHBondContact O-OG 3.34Å; R266-S269 PolarHBondContact O-N 3.26Å; L267-S269 PolarHBondContact O-N 3.28Å; S269-E271 PolarHBondContact O-N 3.08Å
270	D	93.8	Very high	93.8	Very high	40 Å²	40	64.8 Å²	64.8	21%	0.214	33%	0.332	C	S	.	.			trans	-79.5	109.9	176.3	-174.3	-26.4	0	0	0	110.3	Y254 R266 L267 E268 H272 L273 N274	Y254-D270 VanDerWaalsContact CE1-OD2 3.25Å; Y254-D270 WeakPolarHBondContact CE1-OD2 3.28Å; Y254-D270 PolarHBondContact OH-OD2 2.84Å; R266-D270 PolarHBondContact O-N 3.48Å; L267-D270 PolarHBondContact O-N 2.94Å; E268-D270 VanDerWaalsContact C-N 3.34Å; D270-H272 VanDerWaalsContact C-N 3.27Å; D270-H272 PolarHBondContact O-N 3.06Å; D270-H272 WeakPolarHBondContact OD1-CB 3.4Å; D270-H272 IonicContact OD1-CG 2.67Å; D270-H272 PolarHBondContact OD1-N 3.05Å; D270-H272 IonicContact OD1-ND1 3.64Å; D270-L273 HydrophobicContact CB-CB 4.21Å; D270-L273 PolarHBondContact O-N 2.88Å; D270-N274 WeakPolarHBondContact O-CB 3.37Å; D270-N274 PolarHBondContact O-N 3.47Å
271	E	91.1	Very high	93.9	Very high	149 Å²	149	66.8 Å²	66.8	70%	0.696	34%	0.343	S	S	*	.	H	α-helix	trans	-58.7	-35.4	-178.9	-65.3	-172.7	169.4	0	0	113.2	S269 L273 N275	S269-E271 PolarHBondContact O-N 3.08Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 3.29Å; E271-N275 VanDerWaalsContact O-CB 3.23Å; E271-N275 WeakPolarHBondContact O-CB 3.49Å; E271-N275 PolarHBondContact O-N 2.84Å; E271-N275 VanDerWaalsContact O-N 3.1Å; E271-N275 PolarHBondContact O-ND2 2.75Å
272	H	89.6	Confident	94	Very high	124 Å²	124	64.6 Å²	64.6	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-67.6	-40.5	-177.7	-65.2	78.6	0	0	0	111	A207 D270	A207-H272 HydrophobicContact CB-CB 4.45Å; D270-H272 VanDerWaalsContact C-N 3.27Å; D270-H272 PolarHBondContact O-N 3.06Å; D270-H272 WeakPolarHBondContact OD1-CB 3.4Å; D270-H272 IonicContact OD1-CG 2.67Å; D270-H272 PolarHBondContact OD1-N 3.05Å; D270-H272 IonicContact OD1-ND1 3.64Å
273	L	92	Very high	94	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-80.5	-42.8	-179.2	-169.4	63.7	0	0	0	111.6	L200 L204 A207 Y254 L267 D270 E271 N275 Q276 A279 L283	L200-L273 HydrophobicContact CD1-CD1 4.45Å; L200-L273 HydrophobicContact CD1-CD2 4.21Å; L204-L273 HydrophobicContact CB-CD1 4.12Å; A207-L273 HydrophobicContact CB-CD1 4.34Å; Y254-L273 HydrophobicContact CE1-CD2 4.45Å; L267-L273 HydrophobicContact CB-CD2 3.97Å; L267-L273 HydrophobicContact CD2-CD2 3.81Å; L267-L273 HydrophobicContact CG-CD2 4.32Å; D270-L273 HydrophobicContact CB-CB 4.21Å; D270-L273 PolarHBondContact O-N 2.88Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 3.29Å; L273-N275 PolarHBondContact O-N 2.95Å; L273-Q276 WeakPolarHBondContact O-CB 3.43Å; L273-Q276 PolarHBondContact O-N 3.12Å; L273-A279 HydrophobicContact CD1-CB 3.59Å; L273-A279 HydrophobicContact CG-CB 3.81Å; L273-A279 WeakPolarHBondContact O-CB 3.45Å; L273-L283 HydrophobicContact CD2-CD1 4.42Å
274	N	87.2	Confident	94	Very high	55 Å²	55	64.9 Å²	64.9	29%	0.294	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-22.4	-178.4	-164.2	20	0	0	0	112.9	E268 D270 Q276	E268-N274 PolarHBondContact O-ND2 3.43Å; D270-N274 WeakPolarHBondContact O-CB 3.37Å; D270-N274 PolarHBondContact O-N 3.47Å; N274-Q276 PolarHBondContact O-N 2.76Å
275	N	91.7	Very high	94.1	Very high	124 Å²	124	65.9 Å²	65.9	66%	0.663	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	169.8	-76.6	-27.8	0	0	0	113.5	E271 L273 P277	E271-N275 VanDerWaalsContact O-CB 3.23Å; E271-N275 WeakPolarHBondContact O-CB 3.49Å; E271-N275 PolarHBondContact O-N 2.84Å; E271-N275 VanDerWaalsContact O-N 3.1Å; E271-N275 PolarHBondContact O-ND2 2.75Å; L273-N275 PolarHBondContact O-N 2.95Å; N275-P277 WeakPolarHBondContact O-CD 3.46Å
276	Q	94.1	Very high	94.2	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.252	31%	0.313	S	S	.	.	S	Bend	trans	-87.6	116.7	176.7	-57.7	-61.5	-24.4	0	0	110.6	A207 L273 N274 S278 A279 K280	A207-Q276 HydrophobicContact CB-CG 4.01Å; L273-Q276 WeakPolarHBondContact O-CB 3.43Å; L273-Q276 PolarHBondContact O-N 3.12Å; N274-Q276 PolarHBondContact O-N 2.76Å; Q276-S278 VanDerWaalsContact C-N 3.28Å; Q276-S278 PolarHBondContact O-N 2.81Å; Q276-A279 HydrophobicContact CB-CB 4.03Å; Q276-A279 PolarHBondContact O-N 2.94Å; Q276-A279 VanDerWaalsContact O-N 3.13Å; Q276-K280 PolarHBondContact O-N 3.45Å
277	P	93.8	Very high	94.3	Very high	99 Å²	99	56.8 Å²	56.8	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-57.6	-37.7	-175.6	-27.1	35.2	0	0	0	114	N275 V281	N275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-V281 WeakPolarHBondContact O-CG2 3.27Å; P277-V281 PolarHBondContact O-N 2.89Å
278	S	93	Very high	94.4	Very high	39 Å²	39	58.9 Å²	58.9	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-66.8	-41.4	178.6	54.7	0	0	0	0	112.6	G203 Q276 A282	G203-S278 VanDerWaalsContact CA-OG 3.23Å; G203-S278 WeakPolarHBondContact CA-OG 3.35Å; G203-S278 PolarHBondContact N-OG 2.79Å; Q276-S278 VanDerWaalsContact C-N 3.28Å; Q276-S278 PolarHBondContact O-N 2.81Å; S278-A282 WeakPolarHBondContact O-CB 3.37Å; S278-A282 PolarHBondContact O-N 3.3Å; S278-A282 VanDerWaalsContact O-N 3.11Å
279	A	95.4	Very high	94.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-43.4	177.4	0	0	0	0	0	111.2	L200 L273 Q276 V281 A282 L283	L200-A279 HydrophobicContact CD1-CB 3.82Å; L273-A279 HydrophobicContact CD1-CB 3.59Å; L273-A279 HydrophobicContact CG-CB 3.81Å; L273-A279 WeakPolarHBondContact O-CB 3.45Å; Q276-A279 HydrophobicContact CB-CB 4.03Å; Q276-A279 PolarHBondContact O-N 2.94Å; Q276-A279 VanDerWaalsContact O-N 3.13Å; A279-V281 PolarHBondContact O-N 3.3Å; A279-A282 PolarHBondContact O-N 2.69Å; A279-L283 WeakPolarHBondContact O-CG 3.47Å; A279-L283 PolarHBondContact O-N 2.9Å
280	K	95.4	Very high	94.8	Very high	101 Å²	101	51.9 Å²	51.9	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-47.9	179.3	-176	173	-176.4	171.2	0	112.6	Q276 A282 L283 Q284	Q276-K280 PolarHBondContact O-N 3.45Å; K280-A282 VanDerWaalsContact C-N 3.34Å; K280-L283 PolarHBondContact O-N 2.93Å; K280-Q284 WeakPolarHBondContact O-CG 3.42Å; K280-Q284 PolarHBondContact O-N 2.59Å
281	V	95.4	Very high	95	Very high	63 Å²	63	53.6 Å²	53.6	38%	0.382	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-44.3	176.2	173.5	0	0	0	0	110.5	P277 A279 L283 Q284 E285	P277-V281 WeakPolarHBondContact O-CG2 3.27Å; P277-V281 PolarHBondContact O-N 2.89Å; A279-V281 PolarHBondContact O-N 3.3Å; V281-L283 PolarHBondContact O-N 3.01Å; V281-Q284 PolarHBondContact O-N 3.32Å; V281-E285 HydrophobicContact CG1-CG 4.42Å; V281-E285 WeakPolarHBondContact O-CG 3.45Å; V281-E285 PolarHBondContact O-N 3.42Å
282	A	96.8	Very high	95.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-40.5	179.4	0	0	0	0	0	112.6	H197 R199 L200 S278 A279 K280 E285 M286	H197-A282 HydrophobicContact CB-CB 4.21Å; H197-A282 VanDerWaalsContact ND1-CB 3.35Å; H197-A282 WeakPolarHBondContact ND1-CB 3.28Å; R199-A282 HydrophobicContact CB-CB 4.26Å; L200-A282 HydrophobicContact CB-CB 3.74Å; L200-A282 HydrophobicContact CD1-CB 4.5Å; S278-A282 WeakPolarHBondContact O-CB 3.37Å; S278-A282 PolarHBondContact O-N 3.3Å; S278-A282 VanDerWaalsContact O-N 3.11Å; A279-A282 PolarHBondContact O-N 2.69Å; K280-A282 VanDerWaalsContact C-N 3.34Å; A282-E285 PolarHBondContact O-N 3.29Å; A282-M286 WeakPolarHBondContact O-CB 3.3Å; A282-M286 WeakPolarHBondContact O-CG 3.35Å; A282-M286 PolarHBondContact O-N 3.43Å
283	L	96.9	Very high	95.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-39.5	177.9	-71.7	169.1	0	0	0	112	L200 V264 L267 E268 L273 A279 K280 V281 M286 R287 F304	L200-L283 HydrophobicContact CD1-CD1 4.48Å; L200-L283 HydrophobicContact CD1-CD2 4.06Å; L200-L283 HydrophobicContact CD1-CG 3.96Å; L200-L283 HydrophobicContact CD2-CD2 4.11Å; V264-L283 HydrophobicContact CG1-CD2 4.39Å; L267-L283 HydrophobicContact CB-CD1 4Å; L267-L283 HydrophobicContact CB-CD2 3.72Å; L267-L283 HydrophobicContact CD1-CD2 3.9Å; L267-L283 HydrophobicContact CG-CD2 4.49Å; E268-L283 HydrophobicContact CG-CB 4.02Å; E268-L283 HydrophobicContact CG-CD1 4Å; L273-L283 HydrophobicContact CD2-CD1 4.42Å; A279-L283 WeakPolarHBondContact O-CG 3.47Å; A279-L283 PolarHBondContact O-N 2.9Å; K280-L283 PolarHBondContact O-N 2.93Å; V281-L283 PolarHBondContact O-N 3.01Å; L283-M286 PolarHBondContact O-N 3.08Å; L283-R287 WeakPolarHBondContact O-CB 3.11Å; L283-R287 PolarHBondContact O-N 2.91Å; L283-F304 HydrophobicContact CD2-CZ 4.5Å
284	Q	96.2	Very high	96	Very high	111 Å²	111	50 Å²	50	52%	0.519	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-43.5	173.5	-68.8	174.9	-16	0	0	111.9	K280 V281 R287 L288	K280-Q284 WeakPolarHBondContact O-CG 3.42Å; K280-Q284 PolarHBondContact O-N 2.59Å; V281-Q284 PolarHBondContact O-N 3.32Å; Q284-R287 PolarHBondContact O-N 2.98Å; Q284-L288 PolarHBondContact O-N 3.18Å; Q284-L288 VanDerWaalsContact O-N 3.14Å
285	E	97.4	Very high	96.5	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.093	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-43.6	174.5	-73.7	176.2	154.5	0	0	111.2	L168 M169 H197 R199 V281 A282 L288 L289	L168-E285 HydrophobicContact CD1-CG 4.23Å; L168-E285 HydrophobicContact CD2-CG 4.32Å; M169-E285 HydrophobicContact CE-CB 3.69Å; M169-E285 HydrophobicContact CE-CG 3.76Å; M169-E285 HydrophobicContact CG-CB 4.48Å; M169-E285 WeakPolarHBondContact CG-O 3.48Å; M169-E285 HydrophobicContact SD-CB 4.28Å; H197-E285 IonicContact CE1-OE2 3.19Å; H197-E285 PolarHBondContact CE1-OE2 2.95Å; H197-E285 IonicContact NE2-OE2 3.83Å; H197-E285 PolarHBondContact NE2-OE2 3.46Å; H197-E285 VanDerWaalsContact NE2-OE2 3.1Å; R199-E285 IonicContact NH1-OE1 3.98Å; R199-E285 PolarHBondContact NH1-OE1 3.48Å; R199-E285 VanDerWaalsContact NH1-OE1 3.11Å; R199-E285 IonicContact NH1-OE2 3.9Å; R199-E285 PolarHBondContact NH1-OE2 2.62Å; V281-E285 HydrophobicContact CG1-CG 4.42Å; V281-E285 WeakPolarHBondContact O-CG 3.45Å; V281-E285 PolarHBondContact O-N 3.42Å; A282-E285 PolarHBondContact O-N 3.29Å; E285-L288 PolarHBondContact O-N 3.1Å; E285-L289 WeakPolarHBondContact O-CB 3.16Å; E285-L289 PolarHBondContact O-N 3.12Å
286	M	98	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-39.7	177.7	-70.2	-59.1	-68.4	0	0	112.8	I195 H197 V264 A282 L283 L289 L290 F304 V318	I195-M286 HydrophobicContact CB-CE 4.27Å; I195-M286 HydrophobicContact CD1-CE 3.41Å; I195-M286 VanDerWaalsContact CD1-CE 3.41Å; I195-M286 HydrophobicContact CG1-CE 3.65Å; H197-M286 HydrophobicContact CB-CG 4.06Å; H197-M286 HydrophobicContact CB-SD 3.89Å; V264-M286 HydrophobicContact CG2-CB 4.45Å; A282-M286 WeakPolarHBondContact O-CB 3.3Å; A282-M286 WeakPolarHBondContact O-CG 3.35Å; A282-M286 PolarHBondContact O-N 3.43Å; L283-M286 PolarHBondContact O-N 3.08Å; M286-L289 PolarHBondContact O-N 3.06Å; M286-L289 HydrophobicContact SD-CD2 4.22Å; M286-L290 VanDerWaalsContact O-CG 3.32Å; M286-L290 WeakPolarHBondContact O-CG 3.46Å; M286-L290 PolarHBondContact O-N 3.1Å; M286-F304 HydrophobicContact CE-CD2 3.68Å; M286-F304 HydrophobicContact CE-CE2 3.8Å; M286-F304 HydrophobicContact CE-CG 4.27Å; M286-F304 HydrophobicContact CE-CZ 4.46Å; M286-V318 HydrophobicContact SD-CG2 4.36Å
287	R	97.8	Very high	97	Very high	59 Å²	59	49 Å²	49	22%	0.223	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-51.2	173.2	-177.8	173.2	-69.9	-79.6	2.3	110.9	L261 V264 E265 E268 L283 Q284 L289 L290 D291	L261-R287 HydrophobicContact CD1-CG 4.08Å; V264-R287 HydrophobicContact CG1-CB 4.15Å; E265-R287 IonicContact OE1-NH1 3.6Å; E268-R287 IonicContact OE1-CZ 3.94Å; E268-R287 IonicContact OE1-NE 2.77Å; E268-R287 PolarHBondContact OE1-NE 3.14Å; E268-R287 IonicContact OE1-NH2 3.95Å; E268-R287 IonicContact OE2-CZ 3.25Å; E268-R287 IonicContact OE2-NE 3.21Å; E268-R287 IonicContact OE2-NH2 3.6Å; E268-R287 PolarHBondContact OE2-NH2 3.18Å; L283-R287 WeakPolarHBondContact O-CB 3.11Å; L283-R287 PolarHBondContact O-N 2.91Å; Q284-R287 PolarHBondContact O-N 2.98Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.07Å; R287-L290 PolarHBondContact O-N 3.3Å; R287-D291 PolarHBondContact O-N 3.39Å
288	L	98	Very high	97.2	Very high	47 Å²	47	44.3 Å²	44.3	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-42.2	179.3	-175.1	63.4	0	0	0	111.9	L168 M169 Q284 E285 L290 D291 Y292	L168-L288 HydrophobicContact CB-CD2 4.18Å; L168-L288 HydrophobicContact CD2-CD2 3.89Å; L168-L288 HydrophobicContact CG-CD2 4Å; M169-L288 HydrophobicContact CB-CD2 4.37Å; M169-L288 HydrophobicContact CB-CG 4.44Å; M169-L288 HydrophobicContact CG-CD2 4.39Å; Q284-L288 PolarHBondContact O-N 3.18Å; Q284-L288 VanDerWaalsContact O-N 3.14Å; E285-L288 PolarHBondContact O-N 3.1Å; L288-L290 PolarHBondContact O-N 3.47Å; L288-D291 PolarHBondContact O-N 2.8Å; L288-Y292 HydrophobicContact CD1-CD1 4.48Å; L288-Y292 HydrophobicContact CD1-CE1 3.75Å; L288-Y292 HydrophobicContact CD1-CE2 4.22Å; L288-Y292 HydrophobicContact CD2-CE2 4.2Å; L288-Y292 HydrophobicContact CG-CD2 4.44Å; L288-Y292 HydrophobicContact CG-CE1 4.26Å; L288-Y292 HydrophobicContact CG-CE2 3.83Å; L288-Y292 PolarHBondContact O-N 2.79Å
289	L	98.4	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-44.1	175.9	179.2	63.2	0	0	0	112	M169 D172 A173 L176 I195 E285 M286 R287 Y292 C293 V318	M169-L289 HydrophobicContact CB-CB 4.31Å; M169-L289 HydrophobicContact CB-CD1 4.4Å; M169-L289 HydrophobicContact CG-CB 4.2Å; M169-L289 HydrophobicContact SD-CB 4.31Å; D172-L289 HydrophobicContact CB-CD1 4.02Å; A173-L289 HydrophobicContact CB-CD1 3.93Å; L176-L289 HydrophobicContact CD1-CD1 3.92Å; L176-L289 HydrophobicContact CD1-CD2 4.18Å; L176-L289 HydrophobicContact CD1-CG 4.23Å; I195-L289 HydrophobicContact CD1-CD2 4.13Å; E285-L289 WeakPolarHBondContact O-CB 3.16Å; E285-L289 PolarHBondContact O-N 3.12Å; M286-L289 PolarHBondContact O-N 3.06Å; M286-L289 HydrophobicContact SD-CD2 4.22Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.07Å; L289-Y292 PolarHBondContact O-N 3.08Å; L289-C293 PolarHBondContact O-N 3.38Å; L289-C293 PolarHBondContact O-SG 2.89Å; L289-V318 HydrophobicContact CD2-CB 4.43Å; L289-V318 HydrophobicContact CD2-CG2 3.58Å
290	L	98.1	Very high	97.4	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-39.5	177.6	-72.5	174.4	0	0	0	111.9	I195 L261 V264 M286 R287 L288 Y292 C293 K294 I302	I195-L290 HydrophobicContact CD1-CD2 3.82Å; I195-L290 HydrophobicContact CD1-CG 4.46Å; L261-L290 HydrophobicContact CD1-CD1 4.36Å; V264-L290 HydrophobicContact CG2-CD1 3.71Å; M286-L290 VanDerWaalsContact O-CG 3.32Å; M286-L290 WeakPolarHBondContact O-CG 3.46Å; M286-L290 PolarHBondContact O-N 3.1Å; R287-L290 PolarHBondContact O-N 3.3Å; L288-L290 PolarHBondContact O-N 3.47Å; L290-Y292 VanDerWaalsContact C-N 3.35Å; L290-Y292 PolarHBondContact O-N 2.77Å; L290-C293 WeakPolarHBondContact O-CB 3.34Å; L290-C293 PolarHBondContact O-N 3.28Å; L290-K294 PolarHBondContact O-N 2.85Å; L290-I302 HydrophobicContact CD2-CG2 3.79Å
291	D	97.9	Very high	97.4	Very high	76 Å²	76	53.2 Å²	53.2	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-41.5	174.2	-73.9	-29.9	0	0	0	111.7	R287 L288 K294 A295	R287-D291 PolarHBondContact O-N 3.39Å; L288-D291 PolarHBondContact O-N 2.8Å; D291-K294 WeakPolarHBondContact O-CB 3.46Å; D291-K294 PolarHBondContact O-N 3.26Å; D291-A295 PolarHBondContact O-N 3.34Å
292	Y	98.4	Very high	97.6	Very high	65 Å²	65	50.8 Å²	50.8	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-66.4	-40.2	173.2	-64.9	-17.8	0	0	0	112.6	L168 M169 L170 A173 L288 L289 L290 K294 A295 L296	L168-Y292 VanDerWaalsContact O-CE2 3.29Å; L168-Y292 WeakPolarHBondContact O-CE2 3.2Å; M169-Y292 HydrophobicContact CB-CD2 3.97Å; M169-Y292 HydrophobicContact CB-CE2 3.87Å; L170-Y292 HydrophobicContact CD2-CD2 4.15Å; L170-Y292 HydrophobicContact CD2-CE1 4.47Å; L170-Y292 HydrophobicContact CD2-CE2 3.71Å; L170-Y292 HydrophobicContact CG-CE2 3.99Å; A173-Y292 HydrophobicContact CB-CD2 4.15Å; A173-Y292 HydrophobicContact CB-CG 4.44Å; L288-Y292 HydrophobicContact CD1-CD1 4.48Å; L288-Y292 HydrophobicContact CD1-CE1 3.75Å; L288-Y292 HydrophobicContact CD1-CE2 4.22Å; L288-Y292 HydrophobicContact CD2-CE2 4.2Å; L288-Y292 HydrophobicContact CG-CD2 4.44Å; L288-Y292 HydrophobicContact CG-CE1 4.26Å; L288-Y292 HydrophobicContact CG-CE2 3.83Å; L288-Y292 PolarHBondContact O-N 2.79Å; L289-Y292 PolarHBondContact O-N 3.08Å; L290-Y292 VanDerWaalsContact C-N 3.35Å; L290-Y292 PolarHBondContact O-N 2.77Å; Y292-K294 PolarHBondContact O-N 3.03Å; Y292-A295 PolarHBondContact O-N 2.97Å; Y292-A295 VanDerWaalsContact O-N 3.17Å; Y292-L296 WeakPolarHBondContact O-CB 3.3Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.32Å; Y292-L296 PolarHBondContact O-N 3.48Å
293	C	98.2	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.7	-36.1	174.8	-69.5	0	0	0	0	111.9	L289 L290 G297 I298 Q299 I302	L289-C293 PolarHBondContact O-N 3.38Å; L289-C293 PolarHBondContact O-SG 2.89Å; L290-C293 WeakPolarHBondContact O-CB 3.34Å; L290-C293 PolarHBondContact O-N 3.28Å; C293-G297 PolarHBondContact O-N 3.18Å; C293-I298 HydrophobicContact CB-CD1 4.26Å; C293-I298 HydrophobicContact CB-CG1 3.84Å; C293-I298 VanDerWaalsContact O-CG1 3.31Å; C293-I298 WeakPolarHBondContact O-CG1 3.45Å; C293-I298 PolarHBondContact O-N 2.94Å; C293-Q299 PolarHBondContact O-N 2.82Å; C293-I302 HydrophobicContact CB-CG1 4.08Å
294	K	97.8	Very high	97.6	Very high	134 Å²	134	52 Å²	52	58%	0.583	27%	0.272	S	S	*	.	H	α-helix	trans	-65.6	-47.6	172.1	-178.2	177.4	-177.8	-179.7	0	111.7	L290 D291 Y292 L296 G297 Q299	L290-K294 PolarHBondContact O-N 2.85Å; D291-K294 WeakPolarHBondContact O-CB 3.46Å; D291-K294 PolarHBondContact O-N 3.26Å; Y292-K294 PolarHBondContact O-N 3.03Å; K294-L296 VanDerWaalsContact C-N 3.25Å; K294-L296 PolarHBondContact O-N 3.31Å; K294-G297 PolarHBondContact O-N 2.88Å; K294-Q299 HydrophobicContact CB-CB 4.33Å; K294-Q299 VanDerWaalsContact CG-OE1 3.27Å
295	A	98.2	Very high	97.6	Very high	90 Å²	90	47 Å²	47	74%	0.744	25%	0.249	S	C	*	.	H	α-helix	trans	-61.5	-33.3	176.9	0	0	0	0	0	112.9	D291 Y292 G297	D291-A295 PolarHBondContact O-N 3.34Å; Y292-A295 PolarHBondContact O-N 2.97Å; Y292-A295 VanDerWaalsContact O-N 3.17Å; A295-G297 VanDerWaalsContact C-N 3.27Å; A295-G297 PolarHBondContact O-N 3.03Å
296	L	98.1	Very high	97.6	Very high	65 Å²	65	46 Å²	46	34%	0.34	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.6	175.5	-68.7	168.5	0	0	0	113.7	A173 R177 Y292 K294 I298	A173-L296 HydrophobicContact CB-CD1 3.81Å; R177-L296 HydrophobicContact CB-CD1 4.19Å; R177-L296 PolarHBondContact NH1-O 3.4Å; Y292-L296 WeakPolarHBondContact O-CB 3.3Å; Y292-L296 VanDerWaalsContact O-CG 3.31Å; Y292-L296 WeakPolarHBondContact O-CG 3.32Å; Y292-L296 PolarHBondContact O-N 3.48Å; K294-L296 VanDerWaalsContact C-N 3.25Å; K294-L296 PolarHBondContact O-N 3.31Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-I298 HydrophobicContact CB-CG1 4.33Å; L296-I298 PolarHBondContact O-N 3.37Å
297	G	97.9	Very high	97.3	Very high	56 Å²	56	47.2 Å²	47.2	58%	0.577	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	28.6	177.6	0	0	0	0	0	114.4	C293 K294 A295	C293-G297 PolarHBondContact O-N 3.18Å; K294-G297 PolarHBondContact O-N 2.88Å; A295-G297 VanDerWaalsContact C-N 3.27Å; A295-G297 PolarHBondContact O-N 3.03Å
298	I	97.7	Very high	97.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.244	C	C	.	.			trans	-115.5	-0.8	-178.6	65.4	173.6	0	0	0	113.7	L176 R177 Y180 C293 L296 E300 R301 I302	L176-I298 HydrophobicContact CB-CD1 3.83Å; R177-I298 HydrophobicContact CB-CD1 4.3Å; Y180-I298 HydrophobicContact CD1-CG2 3.46Å; Y180-I298 VanDerWaalsContact CD1-CG2 3.46Å; Y180-I298 HydrophobicContact CD2-CB 4.49Å; Y180-I298 HydrophobicContact CD2-CG2 4.15Å; Y180-I298 HydrophobicContact CE1-CG2 4Å; Y180-I298 HydrophobicContact CG-CB 4.24Å; Y180-I298 HydrophobicContact CG-CG2 3.53Å; C293-I298 HydrophobicContact CB-CD1 4.26Å; C293-I298 HydrophobicContact CB-CG1 3.84Å; C293-I298 VanDerWaalsContact O-CG1 3.31Å; C293-I298 WeakPolarHBondContact O-CG1 3.45Å; C293-I298 PolarHBondContact O-N 2.94Å; L296-I298 VanDerWaalsContact C-N 3.34Å; L296-I298 HydrophobicContact CB-CG1 4.33Å; L296-I298 PolarHBondContact O-N 3.37Å; I298-E300 PolarHBondContact O-N 3.03Å; I298-E300 VanDerWaalsContact O-N 3.12Å; I298-R301 WeakPolarHBondContact O-CB 3.4Å; I298-R301 PolarHBondContact O-N 2.9Å; I298-I302 HydrophobicContact CD1-CD1 4.31Å; I298-I302 HydrophobicContact CG1-CG1 4.36Å
299	Q	96.5	Very high	96.9	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.308	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-51.3	-38.9	-174.7	-177.2	179.7	6.1	0	0	113.7	C293 K294 R301 I302	C293-Q299 PolarHBondContact O-N 2.82Å; K294-Q299 HydrophobicContact CB-CB 4.33Å; K294-Q299 VanDerWaalsContact CG-OE1 3.27Å; Q299-R301 PolarHBondContact O-N 3.05Å; Q299-R301 VanDerWaalsContact O-N 3.12Å; Q299-I302 PolarHBondContact O-N 3.37Å
300	E	95.8	Very high	96.3	Very high	191 Å²	191	45.4 Å²	45.4	89%	0.893	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-64.6	-16.2	-179.8	-60.8	-175.1	174.1	0	0	113.8	I298	I298-E300 PolarHBondContact O-N 3.03Å; I298-E300 VanDerWaalsContact O-N 3.12Å
301	R	96.5	Very high	95.4	Very high	69 Å²	69	46.8 Å²	46.8	26%	0.26	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-100.1	-5.3	176.4	-59.8	-58.8	-169.1	-166.4	9.9	113	Y180 D190 F191 I193 I298 Q299	Y180-R301 HydrophobicContact CD2-CB 4.14Å; Y180-R301 HydrophobicContact CD2-CG 3.6Å; Y180-R301 HydrophobicContact CE2-CG 3.59Å; D190-R301 IonicContact OD1-CZ 3.59Å; D190-R301 IonicContact OD1-NH1 2.83Å; D190-R301 PolarHBondContact OD1-NH1 3.37Å; D190-R301 IonicContact OD1-NH2 2.85Å; D190-R301 PolarHBondContact OD1-NH2 3.33Å; D190-R301 VanDerWaalsContact OD1-NH2 3.1Å; D190-R301 IonicContact OD2-NH1 3.67Å; F191-R301 HydrophobicContact CE2-CB 4.17Å; F191-R301 HydrophobicContact CE2-CG 4.11Å; F191-R301 HydrophobicContact CZ-CG 4.31Å; I193-R301 PolarHBondContact N-O 3.46Å; I298-R301 WeakPolarHBondContact O-CB 3.4Å; I298-R301 PolarHBondContact O-N 2.9Å; Q299-R301 PolarHBondContact O-N 3.05Å; Q299-R301 VanDerWaalsContact O-N 3.12Å
302	I	97.9	Very high	94.7	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.062	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.3	-178.2	-58.4	-52.3	0	0	0	110	L176 I193 I195 L290 C293 I298 Q299	L176-I302 HydrophobicContact CB-CD1 4.48Å; L176-I302 HydrophobicContact CD1-CD1 4.34Å; I193-I302 HydrophobicContact CB-CD1 3.93Å; I193-I302 HydrophobicContact CD1-CD1 4.26Å; I193-I302 HydrophobicContact CG2-CD1 4.24Å; I193-I302 WeakPolarHBondContact O-CA 3.4Å; I195-I302 HydrophobicContact CD1-CG2 3.46Å; I195-I302 VanDerWaalsContact CD1-CG2 3.46Å; I195-I302 HydrophobicContact CG1-CG2 3.8Å; I195-I302 HydrophobicContact CG2-CG2 4.05Å; L290-I302 HydrophobicContact CD2-CG2 3.79Å; C293-I302 HydrophobicContact CB-CG1 4.08Å; I298-I302 HydrophobicContact CD1-CD1 4.31Å; I298-I302 HydrophobicContact CG1-CG1 4.36Å; Q299-I302 PolarHBondContact O-N 3.37Å
303	S	97.5	Very high	94.2	Very high	26 Å²	26	44.6 Å²	44.6	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	117.2	171.3	179.3	0	0	0	0	109.2	I193 K194 I195 D305	I193-S303 PolarHBondContact O-N 3.48Å; K194-S303 CarbonylContact C-O 3.51Å; K194-S303 VanDerWaalsContact CA-O 3.27Å; K194-S303 WeakPolarHBondContact CA-O 3.47Å; I195-S303 PolarHBondContact N-O 3.18Å; S303-D305 PolarHBondContact O-N 3.1Å
304	F	97.9	Very high	93.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.9	169.4	-179	-156.1	0	0	0	108.5	I195 L200 T258 G259 L263 V264 L267 L283 M286 L306	I195-F304 HydrophobicContact CG1-CB 4.3Å; I195-F304 WeakPolarHBondContact O-CD2 3.27Å; L200-F304 HydrophobicContact CD2-CE2 3.91Å; L200-F304 HydrophobicContact CD2-CZ 3.47Å; L200-F304 VanDerWaalsContact CD2-CZ 3.47Å; T258-F304 CarbonylContact C-O 3.48Å; T258-F304 VanDerWaalsContact CA-O 3.27Å; T258-F304 WeakPolarHBondContact CA-O 3.28Å; G259-F304 PolarHBondContact N-O 3.46Å; G259-F304 WeakPolarHBondContact O-CB 3.37Å; G259-F304 PolarHBondContact O-N 2.94Å; L263-F304 HydrophobicContact CB-CD1 4.01Å; L263-F304 HydrophobicContact CD2-CB 4.44Å; L263-F304 HydrophobicContact CD2-CD1 3.72Å; L263-F304 HydrophobicContact CD2-CE1 4.12Å; L263-F304 HydrophobicContact CD2-CG 4.08Å; L263-F304 HydrophobicContact CG-CD1 3.82Å; L263-F304 HydrophobicContact CG-CE1 3.99Å; V264-F304 HydrophobicContact CG2-CD1 3.71Å; V264-F304 HydrophobicContact CG2-CE1 3.63Å; L267-F304 HydrophobicContact CD1-CE1 3.75Å; L267-F304 HydrophobicContact CD1-CZ 3.89Å; L283-F304 HydrophobicContact CD2-CZ 4.5Å; M286-F304 HydrophobicContact CE-CD2 3.68Å; M286-F304 HydrophobicContact CE-CE2 3.8Å; M286-F304 HydrophobicContact CE-CG 4.27Å; M286-F304 HydrophobicContact CE-CZ 4.46Å; F304-L306 HydrophobicContact CE2-CD2 3.68Å; F304-L306 HydrophobicContact CZ-CD2 3.76Å
305	D	96.5	Very high	93.8	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110.4	-168.8	-173	-20.8	0	0	0	109.8	K194 I195 N196 T258 S303 S307 L308	K194-D305 HydrophobicContact CB-CB 4.26Å; K194-D305 HydrophobicContact CD-CB 4.46Å; K194-D305 WeakPolarHBondContact CD-OD2 3.49Å; K194-D305 VanDerWaalsContact CE-OD2 3.3Å; K194-D305 WeakPolarHBondContact CE-OD2 3.36Å; K194-D305 HydrophobicContact CG-CB 4.37Å; K194-D305 IonicContact NZ-OD2 2.76Å; K194-D305 PolarHBondContact NZ-OD2 3.01Å; I195-D305 PolarHBondContact O-N 3.21Å; N196-D305 WeakPolarHBondContact CB-O 3.41Å; N196-D305 PolarHBondContact ND2-O 3.01Å; T258-D305 HydrophobicContact CG2-CB 4.14Å; S303-D305 PolarHBondContact O-N 3.1Å; D305-S307 PolarHBondContact O-N 3.06Å; D305-S307 VanDerWaalsContact OD1-CB 3.23Å; D305-S307 WeakPolarHBondContact OD1-CB 3.14Å; D305-S307 PolarHBondContact OD1-N 2.88Å; D305-S307 PolarHBondContact OD1-OG 3.29Å; D305-L308 WeakPolarHBondContact O-CB 3.5Å; D305-L308 PolarHBondContact O-N 2.94Å
306	L	95.5	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.8	-178	-68.4	-169.9	0	0	0	113.4	L200 L204 Y254 L257 L267 F304 L308	L200-L306 HydrophobicContact CD2-CD2 3.72Å; L204-L306 HydrophobicContact CD1-CD1 4.38Å; Y254-L306 WeakPolarHBondContact O-CB 3.36Å; Y254-L306 WeakPolarHBondContact O-CD1 3.24Å; L257-L306 HydrophobicContact CB-CD1 4.27Å; L257-L306 HydrophobicContact CD1-CD1 4.47Å; L257-L306 PolarHBondContact O-N 3.29Å; L257-L306 VanDerWaalsContact O-N 3.12Å; L267-L306 HydrophobicContact CD1-CD1 3.91Å; L267-L306 HydrophobicContact CD1-CD2 4.22Å; L267-L306 HydrophobicContact CD1-CG 4.44Å; L267-L306 HydrophobicContact CD2-CD1 4.05Å; F304-L306 HydrophobicContact CE2-CD2 3.68Å; F304-L306 HydrophobicContact CZ-CD2 3.76Å; L306-L308 PolarHBondContact O-N 2.98Å
307	S	93.4	Very high	93.6	Very high	26 Å²	26	34.2 Å²	34.2	18%	0.182	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.7	172.8	109.9	0	0	0	0	111.9	I222 V255 D305 A309	I222-S307 WeakPolarHBondContact CG2-O 3.43Å; V255-S307 WeakPolarHBondContact O-CA 3.46Å; V255-S307 WeakPolarHBondContact O-CB 3.24Å; V255-S307 PolarHBondContact O-N 3.26Å; D305-S307 PolarHBondContact O-N 3.06Å; D305-S307 VanDerWaalsContact OD1-CB 3.23Å; D305-S307 WeakPolarHBondContact OD1-CB 3.14Å; D305-S307 PolarHBondContact OD1-N 2.88Å; D305-S307 PolarHBondContact OD1-OG 3.29Å; S307-A309 PolarHBondContact O-N 2.87Å; S307-A309 VanDerWaalsContact O-N 3.14Å
308	L	94.8	Very high	93.6	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.042	16%	0.162	C	C	.	.			trans	-75.4	105.3	-178.8	176.9	66.5	0	0	0	110.2	K194 N196 D305 L306 I319 E321	K194-L308 HydrophobicContact CB-CD2 4.09Å; K194-L308 WeakPolarHBondContact O-CD2 3.21Å; N196-L308 HydrophobicContact CB-CB 4Å; N196-L308 HydrophobicContact CB-CD2 4.16Å; N196-L308 HydrophobicContact CB-CG 4.29Å; N196-L308 PolarHBondContact ND2-O 3.29Å; D305-L308 WeakPolarHBondContact O-CB 3.5Å; D305-L308 PolarHBondContact O-N 2.94Å; L306-L308 PolarHBondContact O-N 2.98Å; L308-I319 HydrophobicContact CD2-CG1 4.42Å; L308-I319 HydrophobicContact CG-CD1 4.36Å; L308-I319 WeakPolarHBondContact O-CD1 3.43Å; L308-E321 HydrophobicContact CD1-CB 4.04Å; L308-E321 HydrophobicContact CD1-CG 3.74Å
309	A	91.5	Very high	93.6	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	16%	0.162	C	C	.	.			trans	-114.3	150.9	158.4	0	0	0	0	0	108	L201 C219 I222 D223 S307	L201-A309 HydrophobicContact CD1-CB 3.95Å; C219-A309 HydrophobicContact CB-CB 4.38Å; I222-A309 HydrophobicContact CB-CB 4.33Å; I222-A309 HydrophobicContact CG2-CB 3.98Å; D223-A309 HydrophobicContact CB-CB 4.36Å; S307-A309 PolarHBondContact O-N 2.87Å; S307-A309 VanDerWaalsContact O-N 3.14Å
310	R	86.7	Confident	93.7	Very high	57 Å²	57	28.4 Å²	28.4	22%	0.215	15%	0.147	C	C	.	.			trans	-106.4	134.4	174.8	-68.7	-69.6	-67.6	150.3	2.1	109.5	L312 Y315 I319 E321	R310-L312 PolarHBondContact O-N 3.08Å; R310-Y315 HydrophobicContact CB-CD2 3.61Å; R310-Y315 HydrophobicContact CB-CE2 3.45Å; R310-Y315 VanDerWaalsContact CB-CE2 3.45Å; R310-Y315 HydrophobicContact CG-CD2 4.2Å; R310-Y315 HydrophobicContact CG-CE2 3.87Å; R310-I319 HydrophobicContact CG-CB 3.82Å; R310-I319 HydrophobicContact CG-CD1 4.22Å; R310-I319 HydrophobicContact CG-CG2 4.03Å; R310-E321 WeakPolarHBondContact CD-OE1 3.41Å; R310-E321 IonicContact CZ-OE1 2.7Å; R310-E321 IonicContact NE-OE1 2.81Å; R310-E321 VanDerWaalsContact NH1-CD 3.32Å; R310-E321 IonicContact NH1-OE1 3.7Å; R310-E321 PolarHBondContact NH1-OE1 2.93Å
311	G	78	Confident	93.7	Very high	32 Å²	32	20 Å²	20	33%	0.33	11%	0.108	S	C	.	.	S	Bend	trans	-66.9	7.1	179.5	0	0	0	0	0	118.1	D223	D223-G311 PolarHBondContact OD1-N 2.85Å
312	L	84.2	Confident	93.7	Very high	13 Å²	13	16.7 Å²	16.7	7%	0.068	10%	0.095	C	C	.	.			trans	-112	127.4	179.2	-57.9	176.9	0	0	0	110.9	Y91 E94 Y113 R310 Y314 Y315	Y91-L312 HydrophobicContact CD1-CD2 4.16Å; E94-L312 HydrophobicContact CB-CD2 4.44Å; E94-L312 HydrophobicContact CG-CD2 4.28Å; Y113-L312 HydrophobicContact CE1-CD2 4.32Å; R310-L312 PolarHBondContact O-N 3.08Å; L312-Y314 HydrophobicContact CB-CD1 4.11Å; L312-Y314 HydrophobicContact CB-CE1 3.81Å; L312-Y314 HydrophobicContact CB-CE2 4.3Å; L312-Y314 HydrophobicContact CD1-CE1 3.66Å; L312-Y314 HydrophobicContact CD1-CE2 4.39Å; L312-Y314 VanDerWaalsContact CD1-CZ 3.46Å; L312-Y314 WeakPolarHBondContact CD1-OH 3.01Å; L312-Y314 HydrophobicContact CG-CE1 4.24Å; L312-Y314 PolarHBondContact O-N 3.49Å; L312-Y315 HydrophobicContact CB-CD2 4.32Å; L312-Y315 HydrophobicContact CB-CE2 3.94Å; L312-Y315 VanDerWaalsContact O-CD2 3.27Å; L312-Y315 WeakPolarHBondContact O-CD2 3.5Å
313	D	87.5	Confident	93.5	Very high	81 Å²	81	16.8 Å²	16.8	43%	0.433	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.9	-171	-72.3	-6.6	0	0	0	114.8	G92 Y315	G92-D313 WeakPolarHBondContact CA-OD2 3.43Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 PolarHBondContact O-N 3.21Å
314	Y	92.7	Very high	93.2	Very high	16 Å²	16	15.6 Å²	15.6	6%	0.063	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.5	-172.5	56.6	-121.1	0	0	0	115	Y91 D114 T116 L312 Y388 L391	Y91-Y314 HydrophobicContact CD1-CD1 4.43Å; Y91-Y314 HydrophobicContact CD1-CE1 4.04Å; Y91-Y314 HydrophobicContact CE1-CE1 4.19Å; D114-Y314 PolarHBondContact OD2-OH 2.84Å; T116-Y314 HydrophobicContact CG2-CE2 4.39Å; L312-Y314 HydrophobicContact CB-CD1 4.11Å; L312-Y314 HydrophobicContact CB-CE1 3.81Å; L312-Y314 HydrophobicContact CB-CE2 4.3Å; L312-Y314 HydrophobicContact CD1-CE1 3.66Å; L312-Y314 HydrophobicContact CD1-CE2 4.39Å; L312-Y314 VanDerWaalsContact CD1-CZ 3.46Å; L312-Y314 WeakPolarHBondContact CD1-OH 3.01Å; L312-Y314 HydrophobicContact CG-CE1 4.24Å; L312-Y314 PolarHBondContact O-N 3.49Å; Y314-Y388 HydrophobicContact CD2-CG 4.36Å; Y314-Y388 WeakPolarHBondContact O-CA 3.37Å; Y314-Y388 VanDerWaalsContact O-CB 3.29Å; Y314-Y388 WeakPolarHBondContact O-CB 3.2Å; Y314-L391 HydrophobicContact CG-CD2 4.42Å
315	Y	95.2	Very high	92.7	Very high	17 Å²	17	21.1 Å²	21.1	7%	0.067	11%	0.112	C	C	.	.			trans	-71.9	138.1	-179.4	-66.2	-63.6	0	0	0	111.9	R198 R310 L312 D313 I319 R387	R198-Y315 WeakPolarHBondContact CG-O 3.3Å; R310-Y315 HydrophobicContact CB-CD2 3.61Å; R310-Y315 HydrophobicContact CB-CE2 3.45Å; R310-Y315 VanDerWaalsContact CB-CE2 3.45Å; R310-Y315 HydrophobicContact CG-CD2 4.2Å; R310-Y315 HydrophobicContact CG-CE2 3.87Å; L312-Y315 HydrophobicContact CB-CD2 4.32Å; L312-Y315 HydrophobicContact CB-CE2 3.94Å; L312-Y315 VanDerWaalsContact O-CD2 3.27Å; L312-Y315 WeakPolarHBondContact O-CD2 3.5Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 PolarHBondContact O-N 3.21Å; Y315-I319 HydrophobicContact CD1-CG2 4.01Å; Y315-I319 HydrophobicContact CD2-CG2 4Å; Y315-I319 HydrophobicContact CG-CG2 3.64Å; Y315-R387 CarbonylContact C-O 3.55Å; Y315-R387 VanDerWaalsContact CA-O 3.29Å; Y315-R387 WeakPolarHBondContact CA-O 3.17Å
316	T	94.8	Very high	91.9	Very high	39 Å²	39	24.4 Å²	24.4	24%	0.239	15%	0.148	C	C	.	.			trans	-124.7	-14.7	-174.6	59.3	0	0	0	0	114.3	R199 R387 D389	R199-T316 WeakPolarHBondContact CG-O 3.28Å; R199-T316 PolarHBondContact NE-O 2.85Å; R199-T316 VanDerWaalsContact NE-O 3.08Å; T316-R387 PolarHBondContact N-O 3.09Å; T316-R387 PolarHBondContact OG1-O 3.21Å; T316-D389 PolarHBondContact OG1-N 2.7Å; T316-D389 PolarHBondContact OG1-OD2 3.42Å
317	G	96.5	Very high	91	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-140.2	-133.5	-173.6	0	0	0	0	0	112	H197 R198 R387	H197-G317 VanDerWaalsContact NE2-C 3.29Å; H197-G317 VanDerWaalsContact NE2-CA 3.26Å; H197-G317 WeakPolarHBondContact NE2-CA 3.47Å; R198-G317 PolarHBondContact N-O 2.68Å; G317-R387 PolarHBondContact N-O 2.83Å
318	V	97.9	Very high	89.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	143.4	175.6	73.2	0	0	0	0	110.8	D172 N196 H197 M286 L289 Y320 G386 R387	D172-V318 HydrophobicContact CB-CG1 4Å; D172-V318 WeakPolarHBondContact OD1-CG1 3.3Å; N196-V318 CarbonylContact O-C 3.57Å; N196-V318 WeakPolarHBondContact O-CA 3.29Å; N196-V318 WeakPolarHBondContact O-CG2 3.3Å; H197-V318 PolarHBondContact CD2-N 3.02Å; H197-V318 PolarHBondContact NE2-N 3.21Å; M286-V318 HydrophobicContact SD-CG2 4.36Å; L289-V318 HydrophobicContact CD2-CB 4.43Å; L289-V318 HydrophobicContact CD2-CG2 3.58Å; V318-Y320 HydrophobicContact CG1-CD1 4.13Å; V318-Y320 HydrophobicContact CG1-CE1 3.89Å; V318-Y320 HydrophobicContact CG2-CD1 4.02Å; V318-G386 CarbonylContact O-C 3.58Å; V318-G386 WeakPolarHBondContact O-CA 3.46Å; V318-R387 HydrophobicContact CG1-CB 4.16Å; V318-R387 PolarHBondContact O-N 3.36Å
319	I	98.1	Very high	87.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.7	170.9	52.3	173.7	0	0	0	108.4	I195 N196 L201 L308 R310 Y315	I195-I319 CarbonylContact C-O 3.58Å; I195-I319 WeakPolarHBondContact CA-O 3.2Å; N196-I319 HydrophobicContact CB-CD1 4.21Å; N196-I319 HydrophobicContact CB-CG1 3.95Å; N196-I319 PolarHBondContact N-O 3.25Å; N196-I319 PolarHBondContact O-N 2.77Å; N196-I319 VanDerWaalsContact O-O 3.09Å; L201-I319 HydrophobicContact CD1-CD1 4.14Å; L308-I319 HydrophobicContact CD2-CG1 4.42Å; L308-I319 HydrophobicContact CG-CD1 4.36Å; L308-I319 WeakPolarHBondContact O-CD1 3.43Å; R310-I319 HydrophobicContact CG-CB 3.82Å; R310-I319 HydrophobicContact CG-CD1 4.22Å; R310-I319 HydrophobicContact CG-CG2 4.03Å; Y315-I319 HydrophobicContact CD1-CG2 4.01Å; Y315-I319 HydrophobicContact CD2-CG2 4Å; Y315-I319 HydrophobicContact CG-CG2 3.64Å
320	Y	98	Very high	86.3	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	152	-176.9	44.7	-104.9	0	0	0	112.7	C175 L176 M179 K194 V318 G384 G385 V405 G406 F407	C175-Y320 WeakPolarHBondContact CB-OH 3.44Å; L176-Y320 HydrophobicContact CD2-CD1 3.74Å; L176-Y320 HydrophobicContact CD2-CD2 4.12Å; L176-Y320 HydrophobicContact CD2-CE1 4.27Å; L176-Y320 HydrophobicContact CD2-CG 3.66Å; L176-Y320 HydrophobicContact CG-CD1 4.49Å; M179-Y320 HydrophobicContact CE-CD2 3.68Å; M179-Y320 HydrophobicContact CE-CE2 3.74Å; K194-Y320 CarbonylContact O-C 3.3Å; K194-Y320 WeakPolarHBondContact O-CA 3.37Å; K194-Y320 WeakPolarHBondContact O-CB 3.43Å; V318-Y320 HydrophobicContact CG1-CD1 4.13Å; V318-Y320 HydrophobicContact CG1-CE1 3.89Å; V318-Y320 HydrophobicContact CG2-CD1 4.02Å; Y320-G384 CarbonylContact O-C 3.58Å; Y320-G384 VanDerWaalsContact O-CA 3.32Å; Y320-G384 WeakPolarHBondContact O-CA 3.41Å; Y320-G385 PolarHBondContact N-O 3.37Å; Y320-G385 PolarHBondContact O-N 3.41Å; Y320-V405 HydrophobicContact CE1-CG2 4.45Å; Y320-G406 PolarHBondContact OH-O 3.19Å; Y320-F407 HydrophobicContact CE2-CB 3.59Å
321	E	96.8	Very high	84.5	Confident	14 Å²	14	34.3 Å²	34.3	7%	0.065	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.3	175.6	-75.1	-170.4	-154.9	0	0	110.9	I193 K194 L308 R310 S381 A383	I193-E321 CarbonylContact C-O 3.5Å; I193-E321 WeakPolarHBondContact CA-O 3.5Å; K194-E321 PolarHBondContact N-O 3.49Å; K194-E321 PolarHBondContact O-N 2.82Å; L308-E321 HydrophobicContact CD1-CB 4.04Å; L308-E321 HydrophobicContact CD1-CG 3.74Å; R310-E321 WeakPolarHBondContact CD-OE1 3.41Å; R310-E321 IonicContact CZ-OE1 2.7Å; R310-E321 IonicContact NE-OE1 2.81Å; R310-E321 VanDerWaalsContact NH1-CD 3.32Å; R310-E321 IonicContact NH1-OE1 3.7Å; R310-E321 PolarHBondContact NH1-OE1 2.93Å; E321-S381 WeakPolarHBondContact OE2-CB 3.33Å; E321-S381 PolarHBondContact OE2-OG 2.94Å; E321-A383 CarbonylContact C-O 3.53Å; E321-A383 WeakPolarHBondContact CA-O 3.31Å
322	A	96.6	Very high	83	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.7	169	0	0	0	0	0	110.8	M179 L183 V192 I193 S381 V382 A383	M179-A322 HydrophobicContact CG-CB 4.2Å; M179-A322 HydrophobicContact SD-CB 3.62Å; L183-A322 HydrophobicContact CD1-CB 3.5Å; V192-A322 WeakPolarHBondContact O-CA 3.29Å; I193-A322 HydrophobicContact CG1-CB 4.22Å; A322-S381 CarbonylContact O-C 3.57Å; A322-S381 WeakPolarHBondContact O-CA 3.44Å; A322-S381 WeakPolarHBondContact O-CB 3.22Å; A322-V382 HydrophobicContact CB-CG2 4.15Å; A322-V382 PolarHBondContact O-N 2.98Å; A322-A383 HydrophobicContact CB-CB 3.95Å; A322-A383 PolarHBondContact N-O 3.49Å
323	V	93.6	Very high	80.9	Confident	15 Å²	15	42 Å²	42	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.4	174.1	-66	0	0	0	0	109.9	F191 V192 T328	F191-V323 VanDerWaalsContact CA-O 3.28Å; F191-V323 WeakPolarHBondContact CA-O 3.44Å; F191-V323 WeakPolarHBondContact CB-O 3.49Å; V192-V323 HydrophobicContact CG1-CG2 3.35Å; V192-V323 PolarHBondContact N-O 3.3Å; V192-V323 PolarHBondContact O-N 2.89Å; V323-T328 HydrophobicContact CB-CG2 3.64Å; V323-T328 HydrophobicContact CG1-CG2 3.82Å
324	L	91.3	Very high	78.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.4	171	-77	158.4	0	0	0	109	L188 D190 F191 F327 V382 I417	L188-L324 HydrophobicContact CB-CD1 3.99Å; L188-L324 HydrophobicContact CB-CD2 4.17Å; L188-L324 HydrophobicContact CD1-CD1 4.37Å; D190-L324 CarbonylContact O-C 3.52Å; F191-L324 HydrophobicContact CB-CD2 3.83Å; F191-L324 HydrophobicContact CB-CG 4.37Å; L324-F327 HydrophobicContact CB-CB 4.46Å; L324-F327 HydrophobicContact CB-CD2 4.04Å; L324-F327 PolarHBondContact O-N 3.05Å; L324-V382 HydrophobicContact CD1-CG1 3.77Å; L324-V382 HydrophobicContact CD1-CG2 4.2Å; L324-V382 HydrophobicContact CG-CG1 4.43Å; L324-V382 HydrophobicContact CG-CG2 4.26Å; L324-I417 HydrophobicContact CB-CD1 4.37Å; L324-I417 HydrophobicContact CD1-CD1 3.38Å; L324-I417 HydrophobicContact CD1-CG2 4.18Å; L324-I417 HydrophobicContact CG-CD1 4.48Å
325	K	86.6	Confident	75.2	Confident	115 Å²	115	47.2 Å²	47.2	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	138.7	178.6	-61.3	-170.1	-168.4	161.6	0	109.4	D190 F327	D190-K325 HydrophobicContact CB-CB 4.42Å; D190-K325 HydrophobicContact CB-CD 4.32Å; D190-K325 PolarHBondContact O-N 3.21Å; D190-K325 VanDerWaalsContact OD2-CD 3.22Å; D190-K325 WeakPolarHBondContact OD2-CD 3.33Å; D190-K325 WeakPolarHBondContact OD2-CE 2.95Å; D190-K325 IonicContact OD2-NZ 3.61Å; D190-K325 PolarHBondContact OD2-NZ 3.2Å; K325-F327 VanDerWaalsContact C-N 3.3Å
326	G	79.5	Confident	72	Confident	76 Å²	76	50.8 Å²	50.8	78%	0.784	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-11.5	-174.8	0	0	0	0	0	114.8
327	F	76.5	Confident	68.7	Low	34 Å²	34	56.6 Å²	56.6	15%	0.149	34%	0.34	C	S	.	.	S	Bend	trans	-116.1	19.8	178.3	-62.4	-84	0	0	0	112.9	L324 K325 M377 A378 V379 G380 I417 L421	L324-F327 HydrophobicContact CB-CB 4.46Å; L324-F327 HydrophobicContact CB-CD2 4.04Å; L324-F327 PolarHBondContact O-N 3.05Å; K325-F327 VanDerWaalsContact C-N 3.3Å; F327-M377 HydrophobicContact CD1-CG 4.46Å; F327-M377 HydrophobicContact CD1-SD 4.41Å; F327-M377 HydrophobicContact CE1-SD 4.16Å; F327-A378 CarbonylContact O-C 3.49Å; F327-A378 VanDerWaalsContact O-CA 3.31Å; F327-A378 WeakPolarHBondContact O-CA 3.41Å; F327-V379 HydrophobicContact CB-CB 4.45Å; F327-V379 HydrophobicContact CB-CG2 4.39Å; F327-V379 HydrophobicContact CD1-CG2 4.26Å; F327-V379 PolarHBondContact O-N 3.2Å; F327-G380 PolarHBondContact O-N 3.29Å; F327-I417 HydrophobicContact CB-CD1 4.2Å; F327-I417 HydrophobicContact CD1-CD1 4.44Å; F327-I417 HydrophobicContact CD1-CG1 4.01Å; F327-I417 HydrophobicContact CD2-CD1 4.39Å; F327-I417 HydrophobicContact CD2-CG2 4.24Å; F327-I417 HydrophobicContact CE1-CG1 4.27Å; F327-I417 HydrophobicContact CE1-CG2 4.2Å; F327-I417 HydrophobicContact CE2-CG2 3.81Å; F327-I417 HydrophobicContact CG-CD1 4.1Å; F327-I417 HydrophobicContact CG-CG1 4.15Å; F327-I417 HydrophobicContact CZ-CG2 3.79Å; F327-L421 HydrophobicContact CZ-CD2 4.26Å
328	T	64.8	Low	65.5	Low	48 Å²	48	65.3 Å²	65.3	29%	0.294	39%	0.385	S	S	.	.	S	Bend	trans	-131.6	153.3	179.8	51.7	0	0	0	0	112.6	V323 N330	V323-T328 HydrophobicContact CB-CG2 3.64Å; V323-T328 HydrophobicContact CG1-CG2 3.82Å; T328-N330 PolarHBondContact O-N 2.99Å
329	Y	59.5	Low	62	Low	83 Å²	83	71.1 Å²	71.1	33%	0.325	42%	0.421	S	S	.	.			trans	-65.4	131.1	168.5	176.2	-106.8	0	0	0	109.2	D226 P331	D226-Y329 WeakPolarHBondContact O-CB 3.44Å; D226-Y329 WeakPolarHBondContact O-CD1 3.33Å; Y329-P331 HydrophobicContact CE1-CB 3.88Å
330	N	57.7	Low	58.7	Low	72 Å²	72	74.6 Å²	74.6	39%	0.385	46%	0.457	S	S	.	.			trans	-112	110.3	171.9	-177.5	-1.9	0	0	0	108.1	T328 N332 S333	T328-N330 PolarHBondContact O-N 2.99Å; N330-N332 PolarHBondContact O-N 3.08Å; N330-N332 WeakPolarHBondContact OD1-CB 3.46Å; N330-N332 PolarHBondContact OD1-N 3.32Å; N330-S333 PolarHBondContact ND2-OG 3.12Å; N330-S333 CarbonylContact O-C 3.44Å; N330-S333 VanDerWaalsContact O-C 3.3Å; N330-S333 PolarHBondContact O-N 2.9Å
331	P	48.8	Very low	55.3	Low	65 Å²	65	79.8 Å²	79.8	42%	0.422	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.7	179.1	23.6	-31.8	0	0	0	112.6	Y329 S333	Y329-P331 HydrophobicContact CE1-CB 3.88Å; P331-S333 VanDerWaalsContact C-N 3.32Å
332	N	45.8	Very low	52.1	Low	144 Å²	144	86.8 Å²	86.8	77%	0.77	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-1	178.1	-61.7	-24.4	0	0	0	113.3	N330	N330-N332 PolarHBondContact O-N 3.08Å; N330-N332 WeakPolarHBondContact OD1-CB 3.46Å; N330-N332 PolarHBondContact OD1-N 3.32Å
333	S	40.3	Very low	48.8	Very low	63 Å²	63	96 Å²	96	44%	0.441	57%	0.574	S	S	.	*	S	Bend	trans	-142	74.5	176.7	-58.5	0	0	0	0	109.3	N330 P331 S335	N330-S333 PolarHBondContact ND2-OG 3.12Å; N330-S333 CarbonylContact O-C 3.44Å; N330-S333 VanDerWaalsContact O-C 3.3Å; N330-S333 PolarHBondContact O-N 2.9Å; P331-S333 VanDerWaalsContact C-N 3.32Å; S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.16Å
334	P	31.5	Very low	45.9	Very low	94 Å²	94	101.9 Å²	101.9	61%	0.61	61%	0.61	S	S	*	*	S	Bend	trans	-62.3	119.9	170.1	26.3	-29.2	0	0	0	107.2
335	S	28.4	Very low	42.9	Very low	111 Å²	111	109 Å²	109	78%	0.776	65%	0.649	S	S	*	*			trans	62.7	88.4	-179.5	47	0	0	0	0	117	S333 E337	S333-S335 PolarHBondContact O-N 3.36Å; S333-S335 VanDerWaalsContact O-N 3.16Å; S335-E337 PolarHBondContact O-N 3.2Å
336	A	28.6	Very low	40.4	Very low	92 Å²	92	112.2 Å²	112.2	76%	0.76	67%	0.67	S	S	*	*			trans	-83.1	93	151.8	0	0	0	0	0	108.3	L338	A336-L338 PolarHBondContact O-N 3.17Å
337	E	25.4	Very low	37.9	Very low	161 Å²	161	116.3 Å²	116.3	75%	0.752	67%	0.674	S	S	*	*			trans	-58.4	122.1	158.1	-71.3	179.8	162.6	0	0	107.8	S335 T339	S335-E337 PolarHBondContact O-N 3.2Å; E337-T339 HydrophobicContact CB-CG2 4.31Å; E337-T339 PolarHBondContact O-N 3.39Å
338	L	29.3	Very low	36	Very low	183 Å²	183	119.8 Å²	119.8	96%	0.958	70%	0.702	S	S	*	*			trans	-68.2	85	164.8	-83.3	155	0	0	0	107.5	A336 G340	A336-L338 PolarHBondContact O-N 3.17Å; L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 3.04Å
339	T	25.1	Very low	34.4	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	73%	0.725	S	S	*	*			trans	-72.4	86.7	168.8	53.6	0	0	0	0	108.8	E337	E337-T339 HydrophobicContact CB-CG2 4.31Å; E337-T339 PolarHBondContact O-N 3.39Å
340	G	29.4	Very low	33.2	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	75%	0.754	S	S	*	*			trans	-85.5	97.2	156.2	0	0	0	0	0	108	L338 N342	L338-G340 VanDerWaalsContact C-N 3.29Å; L338-G340 PolarHBondContact O-N 3.04Å; G340-N342 PolarHBondContact O-N 3.46Å
341	S	25.6	Very low	32	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	78%	0.778	S	S	*	*			trans	-58.3	116.6	173.7	52.7	0	0	0	0	110.9
342	N	30.2	Very low	30.9	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	80%	0.798	S	S	*	*			trans	-152	85.8	146.9	-92.2	-23.7	0	0	0	107.2	G340 T344	G340-N342 PolarHBondContact O-N 3.46Å; N342-T344 PolarHBondContact O-N 2.82Å
343	E	27.2	Very low	30.2	Very low	195 Å²	195	140.4 Å²	140.4	91%	0.911	81%	0.807	S	S	*	*			trans	-63.5	119.3	162.7	-71.2	-178.8	147.8	0	0	108.7
344	T	31.8	Very low	29.5	Very low	137 Å²	137	146.8 Å²	146.8	84%	0.84	83%	0.827	S	S	*	*			trans	-147.8	126	141.5	31.5	0	0	0	0	108.6	N342	N342-T344 PolarHBondContact O-N 2.82Å
345	D	28.2	Very low	29.6	Very low	152 Å²	152	147.9 Å²	147.9	81%	0.813	84%	0.837	S	S	*	*			trans	-47.9	148.4	-176.5	-65.6	-65.3	0	0	0	115.3
346	L	34	Very low	29.8	Very low	182 Å²	182	148 Å²	148	95%	0.953	84%	0.837	S	S	*	*			trans	-170.9	93.1	134.4	-95.7	158.7	0	0	0	110.1
347	N	28.4	Very low	29.9	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	84%	0.843	S	S	*	*			trans	-75	128.4	168.3	-103.4	-32.6	0	0	0	111
348	S	35.3	Very low	30.1	Very low	106 Å²	106	154.4 Å²	154.4	74%	0.741	85%	0.846	S	S	*	*			trans	-170.8	104	136	61.1	0	0	0	0	114.2
349	S	31.3	Very low	30.4	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	83%	0.831	S	S	*	*				47.9	110.8	124.9	-28.1	0	0	0	0	121.3
350	V	35	Very low	30.7	Very low	153 Å²	153	154.5 Å²	154.5	93%	0.927	83%	0.834	S	S	*	*			trans	-147.6	134.9	132.6	-176.3	0	0	0	0	110.7
351	K	32.5	Very low	30.6	Very low	203 Å²	203	160.8 Å²	160.8	88%	0.883	84%	0.84	S	S	*	*			trans	-84.3	147.7	-168.4	-73.3	170.9	172.9	172	0	115.1
352	N	25.6	Very low	30.8	Very low	161 Å²	161	160.1 Å²	160.1	86%	0.861	84%	0.841	S	S	*	*			trans	-53	150.3	164.9	-86.3	-38.1	0	0	0	116
353	K	30.6	Very low	30.7	Very low	217 Å²	217	160.6 Å²	160.6	94%	0.943	84%	0.836	S	S	*	*			trans	-150.6	134.3	140.4	-111.6	177.3	-175.3	179.8	0	112.9
354	K	25.6	Very low	30.7	Very low	197 Å²	197	161.2 Å²	161.2	86%	0.857	84%	0.838	S	S	*	*			trans	-91.7	169.2	-170.7	-93.2	176	171.4	173.7	0	114
355	S	33.8	Very low	30.7	Very low	118 Å²	118	161.8 Å²	161.8	83%	0.825	83%	0.832	S	S	*	*			trans	94.8	139.1	150.9	78.4	0	0	0	0	116.2
356	S	33.2	Very low	30.8	Very low	113 Å²	113	162.3 Å²	162.3	79%	0.79	83%	0.833	S	S	*	*			cis	-168.2	147.9	17.8	42.8	0	0	0	0	113.2
357	K	30.1	Very low	30.5	Very low	204 Å²	204	162.4 Å²	162.4	89%	0.887	83%	0.829	S	S	*	*			trans	-9.9	136	158.6	-78.6	172.2	168	171.7	0	120.8
358	K	31	Very low	30.6	Very low	183 Å²	183	163.4 Å²	163.4	80%	0.796	83%	0.829	S	S	*	*				169.2	138.2	103.8	-111.5	-179.4	169.8	179.3	0	115.3
359	D	34.5	Very low	30.3	Very low	121 Å²	121	167.2 Å²	167.2	65%	0.647	84%	0.835	S	S	*	*			trans	74.9	119	141.8	-61.6	-25	0	0	0	124.5
360	K	31.7	Very low	30.1	Very low	186 Å²	186	166.9 Å²	166.9	81%	0.809	83%	0.832	S	S	*	*			trans	86.7	117.2	132.9	-77.2	174.2	178	171.6	0	122.1
361	K	26.4	Very low	29.9	Very low	206 Å²	206	165.1 Å²	165.1	90%	0.896	82%	0.822	S	S	*	*			trans	51.1	108.9	140.8	-76.9	-175.7	172.6	-176.7	0	118.1
362	A	29.9	Very low	29.5	Very low	95 Å²	95	160.7 Å²	160.7	79%	0.785	81%	0.812	S	S	*	*				166.9	146.2	126.1	0	0	0	0	0	111.7
363	K	29.6	Very low	29.6	Very low	170 Å²	170	159.2 Å²	159.2	74%	0.739	81%	0.814	S	S	*	*			trans	74.1	107.9	162.2	-76.5	176.2	170.8	176	0	117.9	Q365	K363-Q365 VanDerWaalsContact C-N 3.31Å; K363-Q365 HydrophobicContact CB-CG 4.27Å; K363-Q365 PolarHBondContact O-N 2.88Å
364	E	27.5	Very low	29.5	Very low	208 Å²	208	152.2 Å²	152.2	97%	0.972	80%	0.804	S	S	*	*			trans	-51.3	98.1	145.2	-69.6	170.7	155.2	0	0	108.4
365	Q	30.5	Very low	30.2	Very low	149 Å²	149	148.3 Å²	148.3	70%	0.696	79%	0.788	S	S	*	*			trans	-112.6	130.4	165.8	-87.1	179.1	-16.8	0	0	107.3	K363 E367	K363-Q365 VanDerWaalsContact C-N 3.31Å; K363-Q365 HydrophobicContact CB-CG 4.27Å; K363-Q365 PolarHBondContact O-N 2.88Å; Q365-E367 PolarHBondContact O-N 3.29Å
366	L	31.3	Very low	31.1	Very low	163 Å²	163	147.2 Å²	147.2	85%	0.853	78%	0.781	S	S	*	*			trans	-54.6	105.8	174.2	-71.5	124.1	0	0	0	109.6	E368	L366-E368 PolarHBondContact O-N 3.49Å
367	E	27.8	Very low	32.3	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	77%	0.765	S	S	*	*			trans	-77.9	101.7	162.1	-74.4	179.6	167.5	0	0	107.2	Q365 E369	Q365-E367 PolarHBondContact O-N 3.29Å; E367-E369 PolarHBondContact O-N 2.94Å
368	E	29.1	Very low	34.2	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	73%	0.733	S	S	*	*			trans	-64.1	108.6	152.9	-79.8	175	166.1	0	0	106.4	L366 S370	L366-E368 PolarHBondContact O-N 3.49Å; E368-S370 VanDerWaalsContact C-N 3.34Å; E368-S370 PolarHBondContact O-N 2.83Å
369	E	29.1	Very low	36.1	Very low	186 Å²	186	129.1 Å²	129.1	87%	0.869	70%	0.695	S	S	*	*			trans	-59.1	101	167.7	-79.6	178	160.8	0	0	108.2	E367 V371	E367-E369 PolarHBondContact O-N 2.94Å; E369-V371 PolarHBondContact O-N 2.97Å
370	S	27	Very low	38.3	Very low	104 Å²	104	124.2 Å²	124.2	73%	0.727	67%	0.673	S	S	*	*			trans	-58.9	119.9	166.5	54.6	0	0	0	0	108.3	E368 T372	E368-S370 VanDerWaalsContact C-N 3.34Å; E368-S370 PolarHBondContact O-N 2.83Å; S370-T372 PolarHBondContact O-N 3.35Å
371	V	30.5	Very low	41	Very low	115 Å²	115	115.9 Å²	115.9	70%	0.697	64%	0.638	S	S	*	*			trans	-49.6	108.4	-179.4	-178	0	0	0	0	110.4	T148 E369	T148-V371 HydrophobicContact CG2-CG1 4.41Å; E369-V371 PolarHBondContact O-N 2.97Å
372	T	24.1	Very low	44.2	Very low	111 Å²	111	106.1 Å²	106.1	68%	0.681	60%	0.596	S	S	*	*			trans	-80.9	118.3	161.7	41	0	0	0	0	107.4	S370 G374	S370-T372 PolarHBondContact O-N 3.35Å; T372-G374 PolarHBondContact O-N 3.44Å
373	S	28.7	Very low	47.4	Very low	129 Å²	129	101.8 Å²	101.8	90%	0.902	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	40.6	-172.1	56.4	0	0	0	0	114.1
374	G	28.5	Very low	50.6	Low	71 Å²	71	94 Å²	94	73%	0.732	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	2.3	-175.2	0	0	0	0	0	115.7	T372 S376	T372-G374 PolarHBondContact O-N 3.44Å; G374-S376 PolarHBondContact O-N 2.91Å
375	E	40.4	Very low	54	Low	114 Å²	114	84.2 Å²	84.2	53%	0.533	48%	0.483	S	S	.	.	S	Bend	trans	-76.5	125.2	175.7	-71.9	-162.5	163	0	0	111.2	R149 M377	R149-E375 IonicContact CZ-OE2 2.95Å; R149-E375 IonicContact NE-OE2 3.52Å; R149-E375 IonicContact NH2-OE1 3.46Å; R149-E375 IonicContact NH2-OE2 3.82Å; R149-E375 PolarHBondContact NH2-OE2 3.12Å; E375-M377 PolarHBondContact O-N 3.37Å
376	S	51.6	Low	57.2	Low	96 Å²	96	77.1 Å²	77.1	67%	0.671	45%	0.45	S	S	*	.			trans	-46.6	125.5	166.3	56.5	0	0	0	0	109.8	G374 A378	G374-S376 PolarHBondContact O-N 2.91Å; S376-A378 PolarHBondContact O-N 3.26Å
377	M	59.9	Low	60.4	Low	93 Å²	93	70.8 Å²	70.8	46%	0.458	42%	0.415	S	S	.	.			trans	-73.2	63.1	-177.3	-166.4	-177.4	-78.2	0	0	111.3	F327 E375 V379 A420	F327-M377 HydrophobicContact CD1-CG 4.46Å; F327-M377 HydrophobicContact CD1-SD 4.41Å; F327-M377 HydrophobicContact CE1-SD 4.16Å; E375-M377 PolarHBondContact O-N 3.37Å; M377-V379 HydrophobicContact CG-CG2 3.94Å; M377-V379 PolarHBondContact O-N 2.88Å; M377-A420 HydrophobicContact CE-CB 3.9Å; M377-A420 HydrophobicContact SD-CB 3.53Å; M377-A420 VanDerWaalsContact SD-CB 3.53Å
378	A	69.7	Low	63.7	Low	25 Å²	25	62.2 Å²	62.2	21%	0.207	38%	0.375	C	S	.	.			trans	-79.4	95.2	173.1	0	0	0	0	0	108.9	F327 S376	F327-A378 CarbonylContact O-C 3.49Å; F327-A378 VanDerWaalsContact O-CA 3.31Å; F327-A378 WeakPolarHBondContact O-CA 3.41Å; S376-A378 PolarHBondContact O-N 3.26Å
379	V	69.6	Low	66.9	Low	1 Å²	1	54.8 Å²	54.8	1%	0.006	34%	0.341	C	S	.	.			trans	-78.9	-25.8	-178.7	-175.9	0	0	0	0	111.5	F327 M377 R413 I417	F327-V379 HydrophobicContact CB-CB 4.45Å; F327-V379 HydrophobicContact CB-CG2 4.39Å; F327-V379 HydrophobicContact CD1-CG2 4.26Å; F327-V379 PolarHBondContact O-N 3.2Å; M377-V379 HydrophobicContact CG-CG2 3.94Å; M377-V379 PolarHBondContact O-N 2.88Å; V379-R413 HydrophobicContact CG1-CB 3.44Å; V379-R413 VanDerWaalsContact CG1-CB 3.44Å; V379-R413 HydrophobicContact CG1-CG 3.53Å; V379-I417 HydrophobicContact CB-CD1 4.16Å; V379-I417 HydrophobicContact CB-CG1 4.36Å; V379-I417 HydrophobicContact CG1-CD1 4.16Å; V379-I417 HydrophobicContact CG1-CG1 4.38Å; V379-I417 HydrophobicContact CG2-CD1 4.2Å; V379-I417 HydrophobicContact CG2-CG1 3.88Å
380	G	80.6	Confident	70	Confident	18 Å²	18	47 Å²	47	19%	0.186	31%	0.311	C	S	.	.			trans	84.3	-157.3	-176.4	0	0	0	0	0	112.4	F327	F327-G380 PolarHBondContact O-N 3.29Å
381	S	89.8	Confident	73.3	Confident	11 Å²	11	42.1 Å²	42.1	8%	0.077	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.5	-179.4	45.7	0	0	0	0	113	E321 A322 R413	E321-S381 WeakPolarHBondContact OE2-CB 3.33Å; E321-S381 PolarHBondContact OE2-OG 2.94Å; A322-S381 CarbonylContact O-C 3.57Å; A322-S381 WeakPolarHBondContact O-CA 3.44Å; A322-S381 WeakPolarHBondContact O-CB 3.22Å; S381-R413 WeakPolarHBondContact O-CD 3.4Å; S381-R413 PolarHBondContact O-NH1 2.9Å; S381-R413 PolarHBondContact OG-NH1 2.99Å
382	V	93.6	Very high	76.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-17.8	178.2	-68.8	0	0	0	0	113.2	L183 A322 L324 G410 R413 L414 I417	L183-V382 HydrophobicContact CD1-CG2 4.46Å; L183-V382 HydrophobicContact CD2-CG2 3.84Å; A322-V382 HydrophobicContact CB-CG2 4.15Å; A322-V382 PolarHBondContact O-N 2.98Å; L324-V382 HydrophobicContact CD1-CG1 3.77Å; L324-V382 HydrophobicContact CD1-CG2 4.2Å; L324-V382 HydrophobicContact CG-CG1 4.43Å; L324-V382 HydrophobicContact CG-CG2 4.26Å; V382-G410 PolarHBondContact O-N 3.36Å; V382-R413 HydrophobicContact CG1-CB 4.18Å; V382-L414 HydrophobicContact CB-CD2 3.82Å; V382-L414 HydrophobicContact CB-CG 4.46Å; V382-L414 HydrophobicContact CG1-CD2 4.17Å; V382-L414 HydrophobicContact CG2-CD2 4.3Å; V382-I417 HydrophobicContact CG1-CD1 3.83Å
383	A	96.6	Very high	79.8	Confident	4 Å²	4	32.2 Å²	32.2	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.5	171.1	0	0	0	0	0	110	M179 E321 A322 S408 F409	M179-A383 HydrophobicContact CE-CB 3.77Å; M179-A383 HydrophobicContact CG-CB 4.22Å; M179-A383 HydrophobicContact SD-CB 3.96Å; E321-A383 CarbonylContact C-O 3.53Å; E321-A383 WeakPolarHBondContact CA-O 3.31Å; A322-A383 HydrophobicContact CB-CB 3.95Å; A322-A383 PolarHBondContact N-O 3.49Å; A383-S408 CarbonylContact C-O 3.57Å; A383-S408 WeakPolarHBondContact CA-O 3.31Å; A383-F409 HydrophobicContact CB-CD1 3.51Å; A383-F409 HydrophobicContact CB-CE1 3.63Å; A383-F409 HydrophobicContact CB-CG 4.35Å
384	G	96.6	Very high	83	Confident	8 Å²	8	31.4 Å²	31.4	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	152.7	174.5	0	0	0	0	0	111.8	Y320 F407 S408	Y320-G384 CarbonylContact O-C 3.58Å; Y320-G384 VanDerWaalsContact O-CA 3.32Å; Y320-G384 WeakPolarHBondContact O-CA 3.41Å; G384-F407 WeakPolarHBondContact O-CA 3.48Å; G384-S408 PolarHBondContact N-O 3.29Å; G384-S408 PolarHBondContact O-N 3.07Å
385	G	97.8	Very high	86.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-168.1	-175.8	0	0	0	0	0	113.5	Y320 G406	Y320-G385 PolarHBondContact N-O 3.37Å; Y320-G385 PolarHBondContact O-N 3.41Å; G385-G406 CarbonylContact C-O 3.4Å; G385-G406 VanDerWaalsContact CA-O 3.23Å; G385-G406 WeakPolarHBondContact CA-O 3.26Å
386	G	98.3	Very high	88.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-177.1	179.8	0	0	0	0	0	113.4	V318 Y388 G406	V318-G386 CarbonylContact O-C 3.58Å; V318-G386 WeakPolarHBondContact O-CA 3.46Å; G386-Y388 VanDerWaalsContact O-CD1 3.31Å; G386-Y388 WeakPolarHBondContact O-CD1 3.41Å; G386-G406 PolarHBondContact N-O 2.93Å; G386-G406 PolarHBondContact O-N 3.45Å; G386-G406 VanDerWaalsContact O-N 3.12Å
387	R	98.4	Very high	90	Very high	31 Å²	31	28.1 Å²	28.1	12%	0.117	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.4	177.8	173.4	168.8	-70.2	-78.2	3.3	111.4	D172 Y315 T316 G317 V318 D389 C404 V405	D172-R387 VanDerWaalsContact CG-NH2 3.32Å; D172-R387 IonicContact OD1-CZ 2.75Å; D172-R387 IonicContact OD1-NE 3.86Å; D172-R387 PolarHBondContact OD1-NE 2.86Å; D172-R387 IonicContact OD1-NH2 2.72Å; D172-R387 PolarHBondContact OD1-NH2 3.15Å; D172-R387 IonicContact OD2-CZ 2.71Å; D172-R387 IonicContact OD2-NE 2.71Å; D172-R387 IonicContact OD2-NH2 3.71Å; D172-R387 PolarHBondContact OD2-NH2 3.06Å; Y315-R387 CarbonylContact C-O 3.55Å; Y315-R387 VanDerWaalsContact CA-O 3.29Å; Y315-R387 WeakPolarHBondContact CA-O 3.17Å; T316-R387 PolarHBondContact N-O 3.09Å; T316-R387 PolarHBondContact OG1-O 3.21Å; G317-R387 PolarHBondContact N-O 2.83Å; V318-R387 HydrophobicContact CG1-CB 4.16Å; V318-R387 PolarHBondContact O-N 3.36Å; R387-D389 WeakPolarHBondContact CD-OD2 3.43Å; R387-D389 VanDerWaalsContact CG-OD1 3.25Å; R387-D389 WeakPolarHBondContact CG-OD1 3.5Å; R387-D389 WeakPolarHBondContact CG-OD2 3.49Å; R387-D389 IonicContact CZ-OD1 2.75Å; R387-D389 IonicContact NH1-OD1 2.67Å; R387-D389 PolarHBondContact NH1-OD1 3.17Å; R387-C404 CarbonylContact C-O 3.55Å; R387-C404 WeakPolarHBondContact CA-O 3.41Å; R387-V405 HydrophobicContact CB-CB 4.29Å; R387-V405 HydrophobicContact CB-CG2 4.28Å
388	Y	97.6	Very high	91.3	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.012	18%	0.182	C	C	.	.			trans	-142.5	57	-172.4	53.5	-92.1	0	0	0	113.3	T116 D161 Y314 G386 G390 L391 C404	T116-Y388 HydrophobicContact CG2-CD1 4.19Å; T116-Y388 HydrophobicContact CG2-CD2 4.09Å; T116-Y388 HydrophobicContact CG2-CE1 3.79Å; T116-Y388 HydrophobicContact CG2-CE2 3.68Å; T116-Y388 HydrophobicContact CG2-CG 4.35Å; D161-Y388 PolarHBondContact OD1-OH 3.02Å; Y314-Y388 HydrophobicContact CD2-CG 4.36Å; Y314-Y388 WeakPolarHBondContact O-CA 3.37Å; Y314-Y388 VanDerWaalsContact O-CB 3.29Å; Y314-Y388 WeakPolarHBondContact O-CB 3.2Å; G386-Y388 VanDerWaalsContact O-CD1 3.31Å; G386-Y388 WeakPolarHBondContact O-CD1 3.41Å; Y388-G390 PolarHBondContact O-N 3.43Å; Y388-L391 HydrophobicContact CD2-CB 4.02Å; Y388-L391 HydrophobicContact CD2-CD2 4Å; Y388-L391 HydrophobicContact CE2-CD2 4.47Å; Y388-L391 PolarHBondContact O-N 3.49Å; Y388-C404 HydrophobicContact CD2-CB 3.56Å; Y388-C404 HydrophobicContact CE1-CB 4.21Å; Y388-C404 HydrophobicContact CE2-CB 3.09Å; Y388-C404 HydrophobicContact CG-CB 4.27Å; Y388-C404 VanDerWaalsContact CZ-CB 3.46Å; Y388-C404 PolarHBondContact N-O 3.32Å
389	D	96.6	Very high	92	Very high	28 Å²	28	28.7 Å²	28.7	15%	0.15	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.8	-169.6	-49.9	-46.9	0	0	0	115.1	T316 R387 P403 C404	T316-D389 PolarHBondContact OG1-N 2.7Å; T316-D389 PolarHBondContact OG1-OD2 3.42Å; R387-D389 WeakPolarHBondContact CD-OD2 3.43Å; R387-D389 VanDerWaalsContact CG-OD1 3.25Å; R387-D389 WeakPolarHBondContact CG-OD1 3.5Å; R387-D389 WeakPolarHBondContact CG-OD2 3.49Å; R387-D389 IonicContact CZ-OD1 2.75Å; R387-D389 IonicContact NH1-OD1 2.67Å; R387-D389 PolarHBondContact NH1-OD1 3.17Å; D389-P403 HydrophobicContact CB-CB 4.45Å; D389-P403 VanDerWaalsContact OD1-CA 3.32Å; D389-P403 WeakPolarHBondContact OD1-CA 3.34Å; D389-P403 WeakPolarHBondContact OD1-CB 3.32Å; D389-C404 PolarHBondContact OD1-N 2.86Å
390	G	94.5	Very high	93	Very high	23 Å²	23	32.5 Å²	32.5	24%	0.237	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-21.1	-178.1	0	0	0	0	0	114.6	Y388 G393 M394	Y388-G390 PolarHBondContact O-N 3.43Å; G390-G393 PolarHBondContact O-N 3.13Å; G390-M394 PolarHBondContact O-N 2.92Å
391	L	95.8	Very high	93.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-43.7	-162.8	-170.5	61	0	0	0	113.1	K90 T116 V117 A120 Y314 Y388 G393 M394 F395	K90-L391 HydrophobicContact CD-CD1 4.02Å; T116-L391 HydrophobicContact CG2-CD2 4.06Å; V117-L391 HydrophobicContact CG2-CD1 4.48Å; V117-L391 HydrophobicContact CG2-CD2 4.17Å; A120-L391 HydrophobicContact CB-CB 4.21Å; A120-L391 HydrophobicContact CB-CD2 3.68Å; A120-L391 HydrophobicContact CB-CG 3.57Å; Y314-L391 HydrophobicContact CG-CD2 4.42Å; Y388-L391 HydrophobicContact CD2-CB 4.02Å; Y388-L391 HydrophobicContact CD2-CD2 4Å; Y388-L391 HydrophobicContact CE2-CD2 4.47Å; Y388-L391 PolarHBondContact O-N 3.49Å; L391-G393 VanDerWaalsContact C-N 3.26Å; L391-G393 PolarHBondContact O-N 3.47Å; L391-M394 HydrophobicContact CD1-SD 4.31Å; L391-M394 WeakPolarHBondContact O-CB 3.47Å; L391-M394 PolarHBondContact O-N 3.38Å; L391-M394 VanDerWaalsContact O-N 3.14Å; L391-F395 HydrophobicContact CD1-CE2 4.42Å; L391-F395 HydrophobicContact CG-CE2 4.43Å; L391-F395 WeakPolarHBondContact O-CD2 3.47Å
392	V	96.7	Very high	93.9	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.8	-37.5	177	178.7	0	0	0	0	111.3	A120 V123 A124 M394 F395 S396 V402	A120-V392 HydrophobicContact CB-CG2 4.03Å; V123-V392 HydrophobicContact CB-CG1 4.29Å; V123-V392 HydrophobicContact CB-CG2 4.19Å; V123-V392 HydrophobicContact CG1-CG1 3.77Å; V123-V392 HydrophobicContact CG1-CG2 4.03Å; A124-V392 HydrophobicContact CB-CG1 4.08Å; V392-M394 PolarHBondContact O-N 3.37Å; V392-F395 PolarHBondContact O-N 3.46Å; V392-S396 PolarHBondContact O-N 2.88Å; V392-V402 HydrophobicContact CB-CB 4.11Å; V392-V402 HydrophobicContact CG1-CB 3.94Å; V392-V402 HydrophobicContact CG1-CG2 3.84Å; V392-V402 HydrophobicContact CG2-CB 4.19Å
393	G	95	Very high	94.1	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.6	178.2	0	0	0	0	0	113.5	G390 L391 F395	G390-G393 PolarHBondContact O-N 3.13Å; L391-G393 VanDerWaalsContact C-N 3.26Å; L391-G393 PolarHBondContact O-N 3.47Å; G393-F395 VanDerWaalsContact C-N 3.28Å; G393-F395 PolarHBondContact O-N 2.75Å
394	M	94.1	Very high	94.2	Very high	113 Å²	113	42.6 Å²	42.6	56%	0.557	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-72	-20.1	175.5	-59.4	-172.8	-179.5	0	0	113.4	K90 G390 L391 V392	K90-M394 HydrophobicContact CD-SD 3.71Å; G390-M394 PolarHBondContact O-N 2.92Å; L391-M394 HydrophobicContact CD1-SD 4.31Å; L391-M394 WeakPolarHBondContact O-CB 3.47Å; L391-M394 PolarHBondContact O-N 3.38Å; L391-M394 VanDerWaalsContact O-N 3.14Å; V392-M394 PolarHBondContact O-N 3.37Å
395	F	94	Very high	94.3	Very high	50 Å²	50	42.3 Å²	42.3	22%	0.219	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-16.3	179.5	-63	-64	0	0	0	113.1	V86 K90 V117 A120 R121 A124 L391 V392 G393	V86-F395 HydrophobicContact CB-CE1 4.31Å; V86-F395 HydrophobicContact CG1-CE1 3.84Å; V86-F395 HydrophobicContact CG1-CZ 4.01Å; V86-F395 WeakPolarHBondContact O-CZ 3.23Å; K90-F395 HydrophobicContact CD-CZ 4.29Å; K90-F395 HydrophobicContact CG-CZ 4.47Å; V117-F395 HydrophobicContact CG1-CE2 4.14Å; V117-F395 HydrophobicContact CG1-CZ 3.71Å; A120-F395 HydrophobicContact CB-CD2 3.99Å; A120-F395 HydrophobicContact CB-CE2 3.88Å; R121-F395 HydrophobicContact CB-CD1 4.49Å; R121-F395 HydrophobicContact CB-CD2 4.37Å; R121-F395 HydrophobicContact CB-CE2 4.45Å; R121-F395 HydrophobicContact CB-CG 4.39Å; A124-F395 HydrophobicContact CB-CB 3.45Å; A124-F395 VanDerWaalsContact CB-CB 3.45Å; L391-F395 HydrophobicContact CD1-CE2 4.42Å; L391-F395 HydrophobicContact CG-CE2 4.43Å; L391-F395 WeakPolarHBondContact O-CD2 3.47Å; V392-F395 PolarHBondContact O-N 3.46Å; G393-F395 VanDerWaalsContact C-N 3.28Å; G393-F395 PolarHBondContact O-N 2.75Å
396	S	88.8	Confident	94.3	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	25%	0.25	C	C	.	.			trans	-77.9	124.6	178.5	-177.3	0	0	0	0	110.7	V392 S398 G399 T400	V392-S396 PolarHBondContact O-N 2.88Å; S396-S398 PolarHBondContact O-N 3.04Å; S396-S398 PolarHBondContact OG-OG 3.26Å; S396-S398 VanDerWaalsContact OG-OG 3.1Å; S396-G399 PolarHBondContact O-N 3.08Å; S396-T400 PolarHBondContact OG-N 2.89Å
397	S	86.2	Confident	94.3	Very high	135 Å²	135	42.6 Å²	42.6	94%	0.944	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.5	175.6	55.6	0	0	0	0	113.5
398	S	86.2	Confident	94.3	Very high	89 Å²	89	41.7 Å²	41.7	62%	0.622	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.9	173.8	53.6	0	0	0	0	113.6	S396 T400	S396-S398 PolarHBondContact O-N 3.04Å; S396-S398 PolarHBondContact OG-OG 3.26Å; S396-S398 VanDerWaalsContact OG-OG 3.1Å; S398-T400 PolarHBondContact O-N 2.96Å; S398-T400 PolarHBondContact OG-OG1 3.37Å
399	G	85.4	Confident	94.3	Very high	41 Å²	41	41.5 Å²	41.5	42%	0.423	25%	0.249	S	C	.	.			trans	67	17.4	-172.1	0	0	0	0	0	113.7	S396 R401	S396-G399 PolarHBondContact O-N 3.08Å; G399-R401 PolarHBondContact O-N 3.42Å
400	T	89.5	Confident	94.2	Very high	81 Å²	81	41.1 Å²	41.1	50%	0.497	25%	0.251	S	S	.	.			trans	-63.1	119.7	-179.7	-59.3	0	0	0	0	109.4	S396 S398	S396-T400 PolarHBondContact OG-N 2.89Å; S398-T400 PolarHBondContact O-N 2.96Å; S398-T400 PolarHBondContact OG-OG1 3.37Å
401	R	93.4	Very high	94.1	Very high	195 Å²	195	40 Å²	40	74%	0.736	24%	0.239	S	C	*	.			trans	-83.8	142.7	176.7	-61.2	-175.7	-176.7	-178.9	-0.2	110	G399	G399-R401 PolarHBondContact O-N 3.42Å
402	V	96.9	Very high	93.8	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.085	24%	0.241	C	C	.	.			trans	-127.1	110.9	169.1	-179	0	0	0	0	105.7	V123 A163 V392 C404	V123-V402 HydrophobicContact CG1-CB 4.24Å; V123-V402 HydrophobicContact CG1-CG1 4.19Å; V123-V402 HydrophobicContact CG1-CG2 4.15Å; A163-V402 HydrophobicContact CB-CG1 4.04Å; V392-V402 HydrophobicContact CB-CB 4.11Å; V392-V402 HydrophobicContact CG1-CB 3.94Å; V392-V402 HydrophobicContact CG1-CG2 3.84Å; V392-V402 HydrophobicContact CG2-CB 4.19Å; V402-C404 PolarHBondContact O-N 2.86Å; V402-C404 PolarHBondContact O-SG 3.07Å
403	P	97.7	Very high	93.4	Very high	38 Å²	38	43.2 Å²	43.2	25%	0.247	25%	0.251	C	S	.	.			trans	-57.1	136.8	176.1	-23	33.6	0	0	0	110.2	A163 G164 D389	A163-P403 CarbonylContact C-O 3.59Å; A163-P403 WeakPolarHBondContact CA-O 3.19Å; G164-P403 PolarHBondContact N-O 2.84Å; D389-P403 HydrophobicContact CB-CB 4.45Å; D389-P403 VanDerWaalsContact OD1-CA 3.32Å; D389-P403 WeakPolarHBondContact OD1-CA 3.34Å; D389-P403 WeakPolarHBondContact OD1-CB 3.32Å
404	C	98.5	Very high	93.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.5	-176.8	-62.4	0	0	0	0	110.2	I162 A163 R387 Y388 D389 V402	I162-C404 VanDerWaalsContact O-CA 3.32Å; I162-C404 WeakPolarHBondContact O-CA 3.45Å; A163-C404 WeakPolarHBondContact CB-SG 3.41Å; R387-C404 CarbonylContact C-O 3.55Å; R387-C404 WeakPolarHBondContact CA-O 3.41Å; Y388-C404 HydrophobicContact CD2-CB 3.56Å; Y388-C404 HydrophobicContact CE1-CB 4.21Å; Y388-C404 HydrophobicContact CE2-CB 3.09Å; Y388-C404 HydrophobicContact CG-CB 4.27Å; Y388-C404 VanDerWaalsContact CZ-CB 3.46Å; Y388-C404 PolarHBondContact N-O 3.32Å; D389-C404 PolarHBondContact OD1-N 2.86Å; V402-C404 PolarHBondContact O-N 2.86Å; V402-C404 PolarHBondContact O-SG 3.07Å
405	V	98.7	Very high	92.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.3	171.1	60.6	0	0	0	0	109	D161 I162 A171 D172 Y320 R387	D161-V405 WeakPolarHBondContact CA-O 3.49Å; I162-V405 HydrophobicContact CB-CG1 4.24Å; I162-V405 PolarHBondContact N-O 3.37Å; I162-V405 PolarHBondContact O-N 3.34Å; A171-V405 HydrophobicContact CB-CG1 3.55Å; D172-V405 HydrophobicContact CB-CG2 4.43Å; Y320-V405 HydrophobicContact CE1-CG2 4.45Å; R387-V405 HydrophobicContact CB-CB 4.29Å; R387-V405 HydrophobicContact CB-CG2 4.28Å
406	G	98.5	Very high	92.4	Very high	3 Å²	3	36 Å²	36	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	175.1	-177.6	0	0	0	0	0	113.3	F160 D161 Y320 G385 G386	F160-G406 CarbonylContact O-C 3.45Å; F160-G406 WeakPolarHBondContact O-CA 3.09Å; D161-G406 WeakPolarHBondContact OD1-CA 3.04Å; Y320-G406 PolarHBondContact OH-O 3.19Å; G385-G406 CarbonylContact C-O 3.4Å; G385-G406 VanDerWaalsContact CA-O 3.23Å; G385-G406 WeakPolarHBondContact CA-O 3.26Å; G386-G406 PolarHBondContact N-O 2.93Å; G386-G406 PolarHBondContact O-N 3.45Å; G386-G406 VanDerWaalsContact O-N 3.12Å
407	F	98.6	Very high	92.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	164.3	-174.9	70.9	-95.3	0	0	0	111.7	F68 D159 F160 C175 I178 M179 Y320 G384 F409	F68-F407 AromaticContact CE1-CE2 3.96Å; F68-F407 HydrophobicContact CE1-CE2 3.96Å; F68-F407 AromaticContact CE1-CZ 3.77Å; F68-F407 HydrophobicContact CE1-CZ 3.77Å; F68-F407 HydrophobicContact CZ-CE2 4.15Å; F68-F407 HydrophobicContact CZ-CZ 4.33Å; D159-F407 CarbonylContact C-O 3.57Å; D159-F407 VanDerWaalsContact CA-O 3.22Å; D159-F407 WeakPolarHBondContact CA-O 3.45Å; F160-F407 HydrophobicContact CB-CD1 4.38Å; F160-F407 HydrophobicContact CB-CE1 3.74Å; F160-F407 HydrophobicContact CB-CE2 4.2Å; F160-F407 HydrophobicContact CB-CZ 3.62Å; F160-F407 AromaticContact CD1-CE1 3.9Å; F160-F407 HydrophobicContact CD1-CE1 3.9Å; F160-F407 HydrophobicContact CD1-CZ 4.48Å; F160-F407 HydrophobicContact CG-CE1 4.05Å; F160-F407 HydrophobicContact CG-CZ 4.18Å; F160-F407 PolarHBondContact N-O 2.84Å; F160-F407 PolarHBondContact O-N 2.69Å; C175-F407 HydrophobicContact CB-CD1 3.74Å; C175-F407 HydrophobicContact CB-CE1 4.1Å; C175-F407 WeakPolarHBondContact O-CE1 3.42Å; I178-F407 HydrophobicContact CB-CE1 3.97Å; I178-F407 HydrophobicContact CB-CZ 3.83Å; I178-F407 HydrophobicContact CD1-CE1 4.3Å; I178-F407 HydrophobicContact CG2-CE1 4.11Å; I178-F407 HydrophobicContact CG2-CZ 3.49Å; I178-F407 VanDerWaalsContact CG2-CZ 3.49Å; M179-F407 HydrophobicContact CE-CB 3.82Å; M179-F407 HydrophobicContact CE-CD2 4.03Å; M179-F407 HydrophobicContact CE-CG 3.91Å; Y320-F407 HydrophobicContact CE2-CB 3.59Å; G384-F407 WeakPolarHBondContact O-CA 3.48Å; F407-F409 HydrophobicContact CD2-CD2 4.41Å; F407-F409 HydrophobicContact CD2-CE2 4.19Å; F407-F409 AromaticContact CE2-CD2 3.89Å; F407-F409 HydrophobicContact CE2-CD2 3.89Å; F407-F409 AromaticContact CE2-CE2 3.42Å; F407-F409 HydrophobicContact CE2-CE2 3.42Å; F407-F409 VanDerWaalsContact CE2-CE2 3.42Å; F407-F409 HydrophobicContact CE2-CZ 4.04Å; F407-F409 HydrophobicContact CZ-CE2 4.32Å
408	S	98.4	Very high	92	Very high	12 Å²	12	30.2 Å²	30.2	8%	0.084	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.5	-179	-172.3	0	0	0	0	111.1	Q157 C158 D159 A383 G384	Q157-S408 WeakPolarHBondContact CB-OG 3.49Å; Q157-S408 WeakPolarHBondContact CG-OG 3.28Å; Q157-S408 PolarHBondContact NE2-OG 3.23Å; C158-S408 WeakPolarHBondContact O-CA 3.47Å; D159-S408 WeakPolarHBondContact OD1-CB 3.32Å; D159-S408 PolarHBondContact OD1-OG 3.46Å; A383-S408 CarbonylContact C-O 3.57Å; A383-S408 WeakPolarHBondContact CA-O 3.31Å; G384-S408 PolarHBondContact N-O 3.29Å; G384-S408 PolarHBondContact O-N 3.07Å
409	F	97.5	Very high	91.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.3	165.2	-71.7	-73.2	0	0	0	111.6	I64 F68 C158 M179 V182 L183 A383 F407 V411 L414	I64-F409 HydrophobicContact CD1-CD2 4.4Å; F68-F409 HydrophobicContact CE1-CE2 4.26Å; F68-F409 HydrophobicContact CZ-CD2 4.25Å; F68-F409 HydrophobicContact CZ-CE2 4.33Å; C158-F409 HydrophobicContact CB-CB 4.22Å; C158-F409 PolarHBondContact N-O 3.41Å; C158-F409 PolarHBondContact O-N 3.03Å; M179-F409 HydrophobicContact CG-CE1 4.3Å; M179-F409 HydrophobicContact CG-CZ 4.26Å; V182-F409 HydrophobicContact CB-CE1 4.42Å; V182-F409 HydrophobicContact CB-CE2 3.81Å; V182-F409 HydrophobicContact CB-CZ 3.53Å; V182-F409 HydrophobicContact CG1-CD2 4.3Å; V182-F409 HydrophobicContact CG1-CE1 4Å; V182-F409 HydrophobicContact CG1-CE2 3.59Å; V182-F409 HydrophobicContact CG1-CZ 3.44Å; V182-F409 VanDerWaalsContact CG1-CZ 3.44Å; V182-F409 HydrophobicContact CG2-CE2 3.91Å; V182-F409 HydrophobicContact CG2-CZ 4.12Å; L183-F409 HydrophobicContact CD1-CE1 4.49Å; L183-F409 HydrophobicContact CD2-CD1 4.47Å; L183-F409 HydrophobicContact CD2-CE1 3.87Å; L183-F409 HydrophobicContact CG-CE1 3.93Å; A383-F409 HydrophobicContact CB-CD1 3.51Å; A383-F409 HydrophobicContact CB-CE1 3.63Å; A383-F409 HydrophobicContact CB-CG 4.35Å; F407-F409 HydrophobicContact CD2-CD2 4.41Å; F407-F409 HydrophobicContact CD2-CE2 4.19Å; F407-F409 AromaticContact CE2-CD2 3.89Å; F407-F409 HydrophobicContact CE2-CD2 3.89Å; F407-F409 AromaticContact CE2-CE2 3.42Å; F407-F409 HydrophobicContact CE2-CE2 3.42Å; F407-F409 VanDerWaalsContact CE2-CE2 3.42Å; F407-F409 HydrophobicContact CE2-CZ 4.04Å; F407-F409 HydrophobicContact CZ-CE2 4.32Å; F409-V411 PolarHBondContact O-N 2.73Å; F409-L414 HydrophobicContact CB-CD1 4.05Å; F409-L414 HydrophobicContact CD1-CD1 4.14Å; F409-L414 HydrophobicContact CG-CD1 4.33Å
410	G	93.8	Very high	91.2	Very high	19 Å²	19	27.7 Å²	27.7	20%	0.196	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	92.1	169.3	0	0	0	0	0	110.6	V382 E412 R413 L414	V382-G410 PolarHBondContact O-N 3.36Å; G410-E412 VanDerWaalsContact C-N 3.33Å; G410-E412 PolarHBondContact O-N 2.79Å; G410-R413 WeakPolarHBondContact O-CB 3.43Å; G410-R413 PolarHBondContact O-N 2.76Å; G410-R413 VanDerWaalsContact O-N 3.08Å; G410-L414 PolarHBondContact O-N 2.91Å
411	V	92.4	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.8	-39.7	-170.1	-178.5	0	0	0	0	112.2	L57 F61 Y156 C158 F409 R413 L414 L415	L57-V411 HydrophobicContact CD1-CG1 3.53Å; F61-V411 HydrophobicContact CE1-CG1 3.93Å; F61-V411 HydrophobicContact CE1-CG2 3.96Å; Y156-V411 PolarHBondContact O-N 2.61Å; C158-V411 HydrophobicContact CB-CG2 4.48Å; C158-V411 WeakPolarHBondContact SG-CG2 3.26Å; F409-V411 PolarHBondContact O-N 2.73Å; V411-R413 PolarHBondContact O-N 3Å; V411-L414 WeakPolarHBondContact O-CB 3.18Å; V411-L414 PolarHBondContact O-N 2.78Å; V411-L414 VanDerWaalsContact O-N 3.17Å; V411-L415 HydrophobicContact CG1-CD1 4.07Å; V411-L415 HydrophobicContact CG1-CG 4.23Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.4Å; V411-L415 PolarHBondContact O-N 3.19Å
412	E	90	Very high	89.7	Confident	7 Å²	7	20.8 Å²	20.8	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-34.7	178.5	-51	-61.1	158.9	0	0	112.6	R47 R49 Y152 F155 G410 A416	R47-E412 IonicContact CZ-OE2 3.21Å; R47-E412 IonicContact NE-OE2 2.66Å; R47-E412 IonicContact NH2-OE2 3.2Å; R47-E412 PolarHBondContact NH2-OE2 2.89Å; R49-E412 IonicContact CZ-OE1 3.47Å; R49-E412 IonicContact NH2-OE1 2.75Å; R49-E412 PolarHBondContact NH2-OE1 3.02Å; R49-E412 IonicContact NH2-OE2 3.12Å; R49-E412 PolarHBondContact NH2-OE2 3.25Å; Y152-E412 HydrophobicContact CD2-CB 3.85Å; Y152-E412 HydrophobicContact CD2-CG 3.7Å; Y152-E412 HydrophobicContact CE2-CB 3.84Å; Y152-E412 HydrophobicContact CE2-CG 4.06Å; F155-E412 HydrophobicContact CB-CG 3.43Å; F155-E412 VanDerWaalsContact CB-CG 3.43Å; G410-E412 VanDerWaalsContact C-N 3.33Å; G410-E412 PolarHBondContact O-N 2.79Å; E412-A416 WeakPolarHBondContact O-CB 3.43Å; E412-A416 PolarHBondContact O-N 3.01Å
413	R	87.9	Confident	88.4	Confident	63 Å²	63	27 Å²	27	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-71.5	-42.2	177.8	-66.7	-177.1	-175	166.5	3.9	110.7	V379 S381 V382 G410 V411 L415 A416 I417	V379-R413 HydrophobicContact CG1-CB 3.44Å; V379-R413 VanDerWaalsContact CG1-CB 3.44Å; V379-R413 HydrophobicContact CG1-CG 3.53Å; S381-R413 WeakPolarHBondContact O-CD 3.4Å; S381-R413 PolarHBondContact O-NH1 2.9Å; S381-R413 PolarHBondContact OG-NH1 2.99Å; V382-R413 HydrophobicContact CG1-CB 4.18Å; G410-R413 WeakPolarHBondContact O-CB 3.43Å; G410-R413 PolarHBondContact O-N 2.76Å; G410-R413 VanDerWaalsContact O-N 3.08Å; V411-R413 PolarHBondContact O-N 3Å; R413-L415 VanDerWaalsContact C-N 3.34Å; R413-L415 PolarHBondContact O-N 2.93Å; R413-A416 PolarHBondContact O-N 3.49Å; R413-I417 WeakPolarHBondContact O-CG1 3.46Å; R413-I417 PolarHBondContact O-N 3.23Å
414	L	90.9	Very high	86.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-43.8	173.9	-65	172.7	0	0	0	111.5	V60 I64 L183 L186 L188 V382 F409 G410 V411 I417 K418	V60-L414 HydrophobicContact CG1-CD1 4.46Å; I64-L414 HydrophobicContact CD1-CD1 4.45Å; L183-L414 HydrophobicContact CD2-CD2 4.05Å; L186-L414 HydrophobicContact CD1-CD1 3.95Å; L186-L414 HydrophobicContact CD1-CD2 4.19Å; L188-L414 HydrophobicContact CD1-CB 4.18Å; L188-L414 HydrophobicContact CD1-CD2 3.61Å; V382-L414 HydrophobicContact CB-CD2 3.82Å; V382-L414 HydrophobicContact CB-CG 4.46Å; V382-L414 HydrophobicContact CG1-CD2 4.17Å; V382-L414 HydrophobicContact CG2-CD2 4.3Å; F409-L414 HydrophobicContact CB-CD1 4.05Å; F409-L414 HydrophobicContact CD1-CD1 4.14Å; F409-L414 HydrophobicContact CG-CD1 4.33Å; G410-L414 PolarHBondContact O-N 2.91Å; V411-L414 WeakPolarHBondContact O-CB 3.18Å; V411-L414 PolarHBondContact O-N 2.78Å; V411-L414 VanDerWaalsContact O-N 3.17Å; L414-I417 PolarHBondContact O-N 2.88Å; L414-K418 WeakPolarHBondContact O-CB 3.39Å; L414-K418 PolarHBondContact O-N 3.14Å
415	L	88	Confident	84.9	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-46.9	178.1	-66.5	172.9	0	0	0	112.3	I56 L57 V60 V411 R413 I417 K418 E419	I56-L415 HydrophobicContact CG2-CD2 3.73Å; L57-L415 HydrophobicContact CD1-CD1 3.9Å; V60-L415 HydrophobicContact CG2-CD2 3.98Å; V411-L415 HydrophobicContact CG1-CD1 4.07Å; V411-L415 HydrophobicContact CG1-CG 4.23Å; V411-L415 VanDerWaalsContact O-CG 3.31Å; V411-L415 WeakPolarHBondContact O-CG 3.4Å; V411-L415 PolarHBondContact O-N 3.19Å; R413-L415 VanDerWaalsContact C-N 3.34Å; R413-L415 PolarHBondContact O-N 2.93Å; L415-I417 PolarHBondContact O-N 3.38Å; L415-K418 PolarHBondContact O-N 2.9Å; L415-K418 VanDerWaalsContact O-N 3.12Å; L415-E419 WeakPolarHBondContact O-CB 3.36Å; L415-E419 WeakPolarHBondContact O-CG 3.34Å; L415-E419 PolarHBondContact O-N 3.36Å
416	A	83.1	Confident	82.5	Confident	23 Å²	23	40.2 Å²	40.2	19%	0.19	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-39.5	179	0	0	0	0	0	111.8	E412 R413 A420	E412-A416 WeakPolarHBondContact O-CB 3.43Å; E412-A416 PolarHBondContact O-N 3.01Å; R413-A416 PolarHBondContact O-N 3.49Å; A416-A420 WeakPolarHBondContact O-CB 3.46Å; A416-A420 PolarHBondContact O-N 2.68Å
417	I	83.2	Confident	80	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-70.6	-43.8	176.7	-65.2	170.2	0	0	0	111	L188 L324 F327 V379 V382 R413 L414 L415 E419 A420 L421	L188-I417 HydrophobicContact CB-CG2 4.2Å; L324-I417 HydrophobicContact CB-CD1 4.37Å; L324-I417 HydrophobicContact CD1-CD1 3.38Å; L324-I417 HydrophobicContact CD1-CG2 4.18Å; L324-I417 HydrophobicContact CG-CD1 4.48Å; F327-I417 HydrophobicContact CB-CD1 4.2Å; F327-I417 HydrophobicContact CD1-CD1 4.44Å; F327-I417 HydrophobicContact CD1-CG1 4.01Å; F327-I417 HydrophobicContact CD2-CD1 4.39Å; F327-I417 HydrophobicContact CD2-CG2 4.24Å; F327-I417 HydrophobicContact CE1-CG1 4.27Å; F327-I417 HydrophobicContact CE1-CG2 4.2Å; F327-I417 HydrophobicContact CE2-CG2 3.81Å; F327-I417 HydrophobicContact CG-CD1 4.1Å; F327-I417 HydrophobicContact CG-CG1 4.15Å; F327-I417 HydrophobicContact CZ-CG2 3.79Å; V379-I417 HydrophobicContact CB-CD1 4.16Å; V379-I417 HydrophobicContact CB-CG1 4.36Å; V379-I417 HydrophobicContact CG1-CD1 4.16Å; V379-I417 HydrophobicContact CG1-CG1 4.38Å; V379-I417 HydrophobicContact CG2-CD1 4.2Å; V379-I417 HydrophobicContact CG2-CG1 3.88Å; V382-I417 HydrophobicContact CG1-CD1 3.83Å; R413-I417 WeakPolarHBondContact O-CG1 3.46Å; R413-I417 PolarHBondContact O-N 3.23Å; L414-I417 PolarHBondContact O-N 2.88Å; L415-I417 PolarHBondContact O-N 3.38Å; I417-E419 VanDerWaalsContact C-N 3.3Å; I417-E419 PolarHBondContact O-N 2.98Å; I417-A420 PolarHBondContact O-N 3.47Å; I417-L421 HydrophobicContact CG2-CD1 3.89Å; I417-L421 HydrophobicContact CG2-CG 4.27Å; I417-L421 VanDerWaalsContact O-CG 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.43Å; I417-L421 PolarHBondContact O-N 2.97Å
418	K	83.2	Confident	77.4	Confident	40 Å²	40	57.7 Å²	57.7	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-40.9	176.9	-168.7	169.1	178.9	177	0	112	I56 D59 V60 L188 L414 L415 S422	I56-K418 HydrophobicContact CG2-CD 3.82Å; D59-K418 IonicContact OD2-NZ 3.11Å; D59-K418 PolarHBondContact OD2-NZ 3.03Å; V60-K418 HydrophobicContact CG2-CD 4.23Å; L188-K418 HydrophobicContact CD2-CB 3.75Å; L188-K418 HydrophobicContact CD2-CD 4.4Å; L188-K418 HydrophobicContact CD2-CG 4.05Å; L414-K418 WeakPolarHBondContact O-CB 3.39Å; L414-K418 PolarHBondContact O-N 3.14Å; L415-K418 PolarHBondContact O-N 2.9Å; L415-K418 VanDerWaalsContact O-N 3.12Å; K418-S422 WeakPolarHBondContact O-CB 3.44Å; K418-S422 PolarHBondContact O-N 3.46Å; K418-S422 PolarHBondContact O-OG 3.46Å
419	E	77.8	Confident	75.1	Confident	60 Å²	60	65.6 Å²	65.6	28%	0.28	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-46.1	174.3	-72.5	173.7	-172.5	0	0	111.3	L415 I417 L421 S422 N423	L415-E419 WeakPolarHBondContact O-CB 3.36Å; L415-E419 WeakPolarHBondContact O-CG 3.34Å; L415-E419 PolarHBondContact O-N 3.36Å; I417-E419 VanDerWaalsContact C-N 3.3Å; I417-E419 PolarHBondContact O-N 2.98Å; E419-L421 PolarHBondContact O-N 3.36Å; E419-S422 PolarHBondContact O-N 3.48Å; E419-N423 PolarHBondContact O-N 3.15Å; E419-N423 PolarHBondContact O-ND2 2.95Å
420	A	76	Confident	73	Confident	17 Å²	17	71.4 Å²	71.4	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-61.7	-41.2	178	0	0	0	0	0	113.1	M377 A416 I417 S424	M377-A420 HydrophobicContact CE-CB 3.9Å; M377-A420 HydrophobicContact SD-CB 3.53Å; M377-A420 VanDerWaalsContact SD-CB 3.53Å; A416-A420 WeakPolarHBondContact O-CB 3.46Å; A416-A420 PolarHBondContact O-N 2.68Å; I417-A420 PolarHBondContact O-N 3.47Å; A420-S424 PolarHBondContact O-N 3.1Å; A420-S424 PolarHBondContact O-OG 2.86Å
421	L	77.4	Confident	71.7	Confident	60 Å²	60	75 Å²	75	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-68.2	-37.6	176.2	-68.4	173	0	0	0	112.2	L188 F327 I417 E419 S424 S425	L188-L421 HydrophobicContact CB-CD1 4.32Å; L188-L421 HydrophobicContact CD2-CD1 4.33Å; L188-L421 WeakPolarHBondContact O-CD1 3.26Å; F327-L421 HydrophobicContact CZ-CD2 4.26Å; I417-L421 HydrophobicContact CG2-CD1 3.89Å; I417-L421 HydrophobicContact CG2-CG 4.27Å; I417-L421 VanDerWaalsContact O-CG 3.31Å; I417-L421 WeakPolarHBondContact O-CG 3.43Å; I417-L421 PolarHBondContact O-N 2.97Å; E419-L421 PolarHBondContact O-N 3.36Å; L421-S424 PolarHBondContact O-N 3.35Å; L421-S425 PolarHBondContact O-N 2.9Å; L421-S425 PolarHBondContact O-OG 3.17Å
422	S	74.4	Confident	71.1	Confident	72 Å²	72	78.4 Å²	78.4	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-67.4	-37.5	177.7	-58.7	0	0	0	0	111.9	K418 E419 S424 S425	K418-S422 WeakPolarHBondContact O-CB 3.44Å; K418-S422 PolarHBondContact O-N 3.46Å; K418-S422 PolarHBondContact O-OG 3.46Å; E419-S422 PolarHBondContact O-N 3.48Å; S422-S424 VanDerWaalsContact C-N 3.29Å; S422-S424 PolarHBondContact O-N 2.9Å; S422-S425 PolarHBondContact O-N 3.29Å
423	N	70.2	Confident	71	Confident	144 Å²	144	81.4 Å²	81.4	77%	0.77	45%	0.445	S	S	*	.	H	α-helix	trans	-70.5	-24.8	176.4	-70.4	-27	0	0	0	113.4	E419	E419-N423 PolarHBondContact O-N 3.15Å; E419-N423 PolarHBondContact O-ND2 2.95Å
424	S	65.3	Low	71	Confident	106 Å²	106	81.5 Å²	81.5	74%	0.741	45%	0.454	S	S	*	.	H	α-helix	trans	-86	-22.6	179.6	-55.3	0	0	0	0	113	A420 L421 S422	A420-S424 PolarHBondContact O-N 3.1Å; A420-S424 PolarHBondContact O-OG 2.86Å; L421-S424 PolarHBondContact O-N 3.35Å; S422-S424 VanDerWaalsContact C-N 3.29Å; S422-S424 PolarHBondContact O-N 2.9Å
425	S	58	Low	71	Confident	64 Å²	64	84 Å²	84	45%	0.448	47%	0.47	S	S	.	.	S	Bend	trans	-86.1	131.7	179.6	-53	0	0	0	0	109.5	L421 S422 K427	L421-S425 PolarHBondContact O-N 2.9Å; L421-S425 PolarHBondContact O-OG 3.17Å; S422-S425 PolarHBondContact O-N 3.29Å; S425-K427 PolarHBondContact O-N 2.81Å
426	D	48.1	Very low	71.2	Confident	147 Å²	147	90.5 Å²	90.5	79%	0.786	50%	0.5	S	S	*	.			trans	-37.1	136.9	178.6	-96.7	-40.3	0	0	0	113.6	N428	D426-N428 PolarHBondContact O-N 2.86Å
427	K	46.5	Very low	71.9	Confident	212 Å²	212	90.6 Å²	90.6	92%	0.922	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	7.3	-179.8	-68.2	-177.7	176.7	178	0	115.8	S425	S425-K427 PolarHBondContact O-N 2.81Å
428	N	43.8	Very low	72.5	Confident	161 Å²	161	91.7 Å²	91.7	86%	0.861	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	16.9	-176.8	-87.2	-6.4	0	0	0	114.6	D426	D426-N428 PolarHBondContact O-N 2.86Å
429	K	49.7	Very low	73.2	Confident	179 Å²	179	89.8 Å²	89.8	78%	0.778	50%	0.495	S	S	*	.	S	Bend	trans	-108	124.9	176.1	-115.8	174.8	178.8	177	0	111.6	S431	K429-S431 PolarHBondContact O-N 2.92Å
430	C	52.8	Low	74.1	Confident	122 Å²	122	87.1 Å²	87.1	82%	0.824	48%	0.482	S	S	*	.			trans	-2	109.2	173.8	-156.4	0	0	0	0	115.4	V432	C430-V432 PolarHBondContact O-N 3.3Å; C430-V432 VanDerWaalsContact O-N 3.12Å
431	S	67.4	Low	75.1	Confident	94 Å²	94	86.3 Å²	86.3	66%	0.657	48%	0.476	S	S	*	.			trans	-61.8	116	174.9	58.7	0	0	0	0	109.7	K429 R433	K429-S431 PolarHBondContact O-N 2.92Å; S431-R433 PolarHBondContact O-N 2.81Å
432	V	79	Confident	76	Confident	72 Å²	72	83.5 Å²	83.5	44%	0.436	46%	0.461	S	S	.	.			trans	-58.1	122	173.9	179.5	0	0	0	0	108.6	I52 T55 C430	I52-V432 HydrophobicContact CG2-CB 4.45Å; I52-V432 HydrophobicContact CG2-CG1 4.37Å; T55-V432 HydrophobicContact CG2-CG1 3.52Å; C430-V432 PolarHBondContact O-N 3.3Å; C430-V432 VanDerWaalsContact O-N 3.12Å
433	R	87.4	Confident	76.9	Confident	69 Å²	69	80.1 Å²	80.1	26%	0.26	44%	0.437	S	S	.	.			trans	-95.4	132.6	178.7	-65.5	173	60.1	-151.7	-7.1	109.6	S431 T435 T437 T486 G487	S431-R433 PolarHBondContact O-N 2.81Å; R433-T435 PolarHBondContact NH2-O 3.39Å; R433-T435 PolarHBondContact O-N 3.49Å; R433-T437 PolarHBondContact NH2-O 2.95Å; R433-T486 PolarHBondContact NE-O 3.21Å; R433-G487 VanDerWaalsContact NE-C 3.33Å; R433-G487 PolarHBondContact NE-O 2.76Å; R433-G487 VanDerWaalsContact NE-O 3.07Å; R433-G487 PolarHBondContact NH1-O 2.88Å; R433-G487 PolarHBondContact NH2-O 3.39Å
434	P	87.9	Confident	77.4	Confident	65 Å²	65	74.3 Å²	74.3	42%	0.422	41%	0.409	S	S	.	.	S	Bend	trans	-76.6	-5.7	175.7	32.1	-35.8	0	0	0	113.4	P51	P51-P434 HydrophobicContact CB-CB 3.45Å; P51-P434 VanDerWaalsContact CB-CB 3.45Å; P51-P434 HydrophobicContact CB-CG 4.42Å
435	T	92.4	Very high	77.7	Confident	54 Å²	54	76.2 Å²	76.2	33%	0.331	41%	0.406	S	S	.	.			trans	-132.3	147.9	178.4	66.3	0	0	0	0	110.4	R433	R433-T435 PolarHBondContact NH2-O 3.39Å; R433-T435 PolarHBondContact O-N 3.49Å
436	E	92.4	Very high	78.4	Confident	140 Å²	140	79.9 Å²	79.9	65%	0.654	41%	0.414	S	S	*	.			trans	-96.2	14.1	177.6	-61.8	-178.9	-171.3	0	0	112.5	E438 K465	E436-E438 PolarHBondContact O-N 3.1Å; E436-K465 HydrophobicContact CB-CD 3.62Å; E436-K465 VanDerWaalsContact O-CD 3.3Å; E436-K465 WeakPolarHBondContact O-CD 3.35Å; E436-K465 WeakPolarHBondContact OE2-CE 3.44Å
437	T	96.2	Very high	79.5	Confident	25 Å²	25	73.3 Å²	73.3	15%	0.153	38%	0.381	C	S	.	.			trans	-55.8	124.6	-176	-56.5	0	0	0	0	111.1	R433 K465 T467 I488 P489	R433-T437 PolarHBondContact NH2-O 2.95Å; T437-K465 WeakPolarHBondContact CG2-O 3.5Å; T437-T467 HydrophobicContact CG2-CG2 3.65Å; T437-I488 HydrophobicContact CG2-CD1 3.7Å; T437-I488 HydrophobicContact CG2-CG1 3.92Å; T437-I488 HydrophobicContact CG2-CG2 4.21Å; T437-P489 WeakPolarHBondContact O-CD 3.26Å
438	E	96.4	Very high	81.5	Confident	23 Å²	23	64 Å²	64	11%	0.107	34%	0.342	C	S	.	.			trans	-91.6	-33.8	-175.9	-71.9	158.5	171.9	0	0	111.2	E436 I464 K465 P489 L490 L530	E436-E438 PolarHBondContact O-N 3.1Å; E438-I464 HydrophobicContact CB-CG2 4.47Å; E438-K465 HydrophobicContact CB-CB 4.37Å; E438-K465 HydrophobicContact CG-CB 4.13Å; E438-K465 PolarHBondContact N-O 3.3Å; E438-K465 IonicContact OE1-NZ 2.72Å; E438-K465 PolarHBondContact OE1-NZ 3.4Å; E438-K465 PolarHBondContact OE2-N 2.7Å; E438-P489 WeakPolarHBondContact O-CD 3.25Å; E438-P489 VanDerWaalsContact O-CG 3.28Å; E438-P489 WeakPolarHBondContact O-CG 3.16Å; E438-L490 WeakPolarHBondContact O-CB 3.33Å; E438-L490 PolarHBondContact O-N 3.26Å; E438-L530 HydrophobicContact CB-CD1 3.86Å; E438-L530 HydrophobicContact CB-CD2 4.16Å; E438-L530 HydrophobicContact CG-CD1 3.92Å; E438-L530 HydrophobicContact CG-CD2 4.28Å
439	V	97.4	Very high	83.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	137.8	-172.3	65.7	0	0	0	0	112.9	L459 I464 K465 A466 T467 L490 V492 I526	V439-L459 HydrophobicContact CG1-CD1 3.83Å; V439-I464 HydrophobicContact CG1-CG2 3.62Å; V439-K465 PolarHBondContact N-O 3.11Å; V439-A466 HydrophobicContact CG1-CB 3.61Å; V439-A466 CarbonylContact O-C 3.55Å; V439-A466 VanDerWaalsContact O-CA 3.24Å; V439-A466 WeakPolarHBondContact O-CA 3.36Å; V439-T467 PolarHBondContact O-N 2.95Å; V439-L490 CarbonylContact C-O 3.58Å; V439-L490 WeakPolarHBondContact CA-O 3.3Å; V439-L490 HydrophobicContact CB-CB 4.2Å; V439-L490 HydrophobicContact CG2-CB 4Å; V439-V492 HydrophobicContact CG2-CG2 3.65Å; V439-I526 HydrophobicContact CG2-CD1 4.26Å
440	M	97.6	Very high	85.9	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.4	169.7	-174.9	172.5	-170.7	0	0	111.1	A442 T467 Q479 Y482 C483 I488 L490 A491 V492	M440-A442 PolarHBondContact O-N 2.96Å; M440-T467 CarbonylContact C-O 3.54Å; M440-T467 WeakPolarHBondContact CA-O 3.32Å; M440-T467 HydrophobicContact CB-CG2 4.2Å; M440-T467 HydrophobicContact CG-CG2 4.12Å; M440-Q479 HydrophobicContact CE-CB 3.65Å; M440-Q479 HydrophobicContact CE-CG 3.67Å; M440-Q479 HydrophobicContact SD-CB 3.99Å; M440-Y482 HydrophobicContact CE-CD1 4.2Å; M440-Y482 HydrophobicContact SD-CD1 3.85Å; M440-C483 WeakPolarHBondContact CB-SG 3.39Å; M440-C483 PolarHBondContact SD-SG 3.23Å; M440-I488 HydrophobicContact CB-CG2 4.39Å; M440-L490 PolarHBondContact N-O 3.17Å; M440-A491 CarbonylContact O-C 3.6Å; M440-A491 WeakPolarHBondContact O-CA 3.39Å; M440-V492 PolarHBondContact O-N 3.07Å
441	V	97.6	Very high	87.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.6	170.4	-175.6	0	0	0	0	109	R452 C455 C456 L459 T467 M468 V492 L494	V441-R452 HydrophobicContact CG1-CB 4.1Å; V441-R452 HydrophobicContact CG1-CG 4.04Å; V441-C455 HydrophobicContact CG1-CB 3.87Å; V441-C455 HydrophobicContact CG2-CB 4.39Å; V441-C456 VanDerWaalsContact CG2-SG 3.56Å; V441-L459 HydrophobicContact CG2-CD1 3.64Å; V441-T467 PolarHBondContact N-O 2.76Å; V441-M468 HydrophobicContact CB-CB 4.32Å; V441-M468 WeakPolarHBondContact O-CB 3.37Å; V441-V492 CarbonylContact C-O 3.58Å; V441-L494 HydrophobicContact CG1-CD1 3.89Å; V441-L494 HydrophobicContact CG1-CG 4.17Å
442	A	96.1	Very high	89.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.4	-176.9	0	0	0	0	0	112.1	M440 L476 Q479 V492 V493 L494	M440-A442 PolarHBondContact O-N 2.96Å; A442-L476 HydrophobicContact CB-CD1 3.93Å; A442-Q479 VanDerWaalsContact CA-OE1 3.25Å; A442-Q479 HydrophobicContact CB-CB 4.15Å; A442-V492 PolarHBondContact N-O 2.9Å; A442-V493 HydrophobicContact CB-CG2 4.42Å; A442-V493 WeakPolarHBondContact O-CA 3.43Å; A442-L494 PolarHBondContact O-N 3.16Å
443	G	92.3	Very high	90	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.2	170.8	0	0	0	0	0	111.7	Q479	G443-Q479 PolarHBondContact O-NE2 3.49Å; G443-Q479 VanDerWaalsContact O-NE2 3.11Å
444	A	80.3	Confident	90.5	Very high	22 Å²	22	51 Å²	51	18%	0.182	26%	0.259	C	S	.	.	S	Bend	trans	-80.1	-43.8	-178.9	0	0	0	0	0	113.4	L476 V493 L494	A444-L476 HydrophobicContact CB-CD2 4.34Å; A444-V493 HydrophobicContact CB-CG1 4.05Å; A444-L494 PolarHBondContact N-O 2.96Å
445	H	72.6	Confident	90.9	Very high	146 Å²	146	48 Å²	48	68%	0.676	24%	0.239	S	C	*	.	S	Bend	trans	-146	145.4	-177.1	-59.1	-64.4	0	0	0	112	G447	H445-G447 VanDerWaalsContact C-N 3.28Å; H445-G447 PolarHBondContact O-N 2.66Å; H445-G447 VanDerWaalsContact O-N 3.17Å
446	K	71.5	Confident	91.1	Very high	141 Å²	141	45.4 Å²	45.4	61%	0.613	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	6.3	176.9	-58	174.6	-170.5	159.6	0	118.5	H473 E496	K446-H473 VanDerWaalsContact C-ND1 3.34Å; K446-H473 PolarHBondContact O-CE1 2.76Å; K446-H473 VanDerWaalsContact O-CE1 3.28Å; K446-H473 PolarHBondContact O-ND1 2.76Å; K446-E496 VanDerWaalsContact CD-OE1 3.29Å; K446-E496 WeakPolarHBondContact CD-OE1 3.44Å; K446-E496 VanDerWaalsContact NZ-CD 3.34Å; K446-E496 IonicContact NZ-OE1 3.03Å; K446-E496 PolarHBondContact NZ-OE1 3.31Å; K446-E496 IonicContact NZ-OE2 2.81Å; K446-E496 PolarHBondContact NZ-OE2 2.86Å
447	G	72.3	Confident	91.4	Very high	9 Å²	9	44 Å²	44	9%	0.093	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	49.8	168.8	0	0	0	0	0	114	H445 I449 N472	H445-G447 VanDerWaalsContact C-N 3.28Å; H445-G447 PolarHBondContact O-N 2.66Å; H445-G447 VanDerWaalsContact O-N 3.17Å; G447-I449 PolarHBondContact O-N 3.36Å; G447-N472 CarbonylContact C-O 3.54Å; G447-N472 WeakPolarHBondContact CA-O 3.42Å
448	L	88.5	Confident	91.5	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	22%	0.224	C	C	.	.			trans	-47.9	60.2	175.9	-63.1	168.2	0	0	0	114.4	M450 Q451 R452 L494 E496 L499	L448-M450 PolarHBondContact O-N 2.73Å; L448-Q451 HydrophobicContact CB-CB 4.34Å; L448-Q451 PolarHBondContact O-N 3.01Å; L448-R452 WeakPolarHBondContact O-CB 3.3Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.25Å; L448-L494 HydrophobicContact CD1-CB 4.02Å; L448-E496 HydrophobicContact CD2-CG 4.07Å; L448-L499 HydrophobicContact CD1-CD1 3.96Å
449	I	92.4	Very high	91.5	Very high	66 Å²	66	44.6 Å²	44.6	34%	0.338	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-41.7	-165.4	-170.6	169.4	0	0	0	111.1	G447 Q451 R452 L453	G447-I449 PolarHBondContact O-N 3.36Å; I449-Q451 VanDerWaalsContact C-N 3.35Å; I449-Q451 PolarHBondContact O-N 3.43Å; I449-R452 PolarHBondContact O-N 2.89Å; I449-L453 HydrophobicContact CG1-CD1 4.02Å; I449-L453 HydrophobicContact CG1-CG 4.47Å; I449-L453 WeakPolarHBondContact O-CB 3.35Å; I449-L453 VanDerWaalsContact O-CG 3.28Å; I449-L453 WeakPolarHBondContact O-CG 3.5Å; I449-L453 PolarHBondContact O-N 3.25Å
450	M	93.2	Very high	91.6	Very high	114 Å²	114	50.9 Å²	50.9	56%	0.562	24%	0.243	S	C	*	.	H	α-helix	trans	-62.5	-44.1	178.2	-65.8	-54	-61.4	0	0	111.1	L448 L453 Q454	L448-M450 PolarHBondContact O-N 2.73Å; M450-L453 PolarHBondContact O-N 3.17Å; M450-Q454 WeakPolarHBondContact O-CB 3.3Å; M450-Q454 VanDerWaalsContact O-CG 3.25Å; M450-Q454 WeakPolarHBondContact O-CG 3.31Å; M450-Q454 PolarHBondContact O-N 3.32Å
451	Q	94.4	Very high	91.6	Very high	67 Å²	67	56.8 Å²	56.8	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-72.3	-36.4	-180	-61.6	82.1	1.7	0	0	111.8	L448 I449 Q454 C455 L494 L499	L448-Q451 HydrophobicContact CB-CB 4.34Å; L448-Q451 PolarHBondContact O-N 3.01Å; I449-Q451 VanDerWaalsContact C-N 3.35Å; I449-Q451 PolarHBondContact O-N 3.43Å; Q451-Q454 PolarHBondContact O-N 3.48Å; Q451-C455 VanDerWaalsContact O-CB 3.26Å; Q451-C455 WeakPolarHBondContact O-CB 3.4Å; Q451-C455 PolarHBondContact O-N 3.23Å; Q451-L494 HydrophobicContact CB-CD1 4.02Å; Q451-L499 HydrophobicContact CB-CD1 4.04Å; Q451-L499 HydrophobicContact CG-CD1 3.87Å
452	R	95.9	Very high	91.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-45.2	172.2	-72	-173.8	-63.4	130.1	-10.4	111.2	V441 L448 I449 C455 C456 M468 S469 K471 N472 L494	V441-R452 HydrophobicContact CG1-CB 4.1Å; V441-R452 HydrophobicContact CG1-CG 4.04Å; L448-R452 WeakPolarHBondContact O-CB 3.3Å; L448-R452 VanDerWaalsContact O-CG 3.29Å; L448-R452 WeakPolarHBondContact O-CG 3.47Å; L448-R452 PolarHBondContact O-N 3.25Å; I449-R452 PolarHBondContact O-N 2.89Å; R452-C455 PolarHBondContact O-N 2.76Å; R452-C456 WeakPolarHBondContact O-CB 3.41Å; R452-C456 PolarHBondContact O-N 2.85Å; R452-C456 PolarHBondContact O-SG 3.32Å; R452-M468 HydrophobicContact CB-SD 3.91Å; R452-S469 PolarHBondContact NH1-O 3.06Å; R452-K471 PolarHBondContact NH2-O 2.81Å; R452-N472 PolarHBondContact NH2-O 3.25Å; R452-N472 VanDerWaalsContact NH2-O 3.16Å; R452-L494 HydrophobicContact CB-CD1 4.33Å; R452-L494 HydrophobicContact CG-CD1 3.76Å
453	L	96.2	Very high	91.6	Very high	73 Å²	73	64.7 Å²	64.7	38%	0.382	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-47.6	175.6	-78.9	165.7	0	0	0	111.9	I449 M450 C455 C456 Q457 M468	I449-L453 HydrophobicContact CG1-CD1 4.02Å; I449-L453 HydrophobicContact CG1-CG 4.47Å; I449-L453 WeakPolarHBondContact O-CB 3.35Å; I449-L453 VanDerWaalsContact O-CG 3.28Å; I449-L453 WeakPolarHBondContact O-CG 3.5Å; I449-L453 PolarHBondContact O-N 3.25Å; M450-L453 PolarHBondContact O-N 3.17Å; L453-C455 VanDerWaalsContact C-N 3.32Å; L453-C455 PolarHBondContact O-N 3.01Å; L453-C456 PolarHBondContact O-N 2.81Å; L453-Q457 WeakPolarHBondContact O-CB 3.44Å; L453-Q457 PolarHBondContact O-N 3.48Å; L453-M468 HydrophobicContact CD2-CE 3.31Å; L453-M468 HydrophobicContact CD2-SD 4.42Å; L453-M468 HydrophobicContact CG-CE 3.89Å; L453-M468 HydrophobicContact CG-SD 4.49Å
454	Q	96.4	Very high	91.8	Very high	102 Å²	102	64.9 Å²	64.9	48%	0.477	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-38.5	177.2	-74.6	171	-26.3	0	0	112.3	M450 Q451 Q457 L458	M450-Q454 WeakPolarHBondContact O-CB 3.3Å; M450-Q454 VanDerWaalsContact O-CG 3.25Å; M450-Q454 WeakPolarHBondContact O-CG 3.31Å; M450-Q454 PolarHBondContact O-N 3.32Å; Q451-Q454 PolarHBondContact O-N 3.48Å; Q454-Q457 PolarHBondContact O-N 2.9Å; Q454-L458 WeakPolarHBondContact O-CB 3.48Å; Q454-L458 PolarHBondContact O-N 3.19Å
455	C	96.7	Very high	92.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.8	-44.8	176.2	-175	0	0	0	0	111.3	V441 Q451 R452 L453 Q457 L458 L459 L494 Y519	V441-C455 HydrophobicContact CG1-CB 3.87Å; V441-C455 HydrophobicContact CG2-CB 4.39Å; Q451-C455 VanDerWaalsContact O-CB 3.26Å; Q451-C455 WeakPolarHBondContact O-CB 3.4Å; Q451-C455 PolarHBondContact O-N 3.23Å; R452-C455 PolarHBondContact O-N 2.76Å; L453-C455 VanDerWaalsContact C-N 3.32Å; L453-C455 PolarHBondContact O-N 3.01Å; C455-Q457 VanDerWaalsContact C-N 3.33Å; C455-Q457 PolarHBondContact O-N 2.8Å; C455-L458 PolarHBondContact O-N 2.79Å; C455-L459 VanDerWaalsContact O-CG 3.24Å; C455-L459 WeakPolarHBondContact O-CG 3.39Å; C455-L459 PolarHBondContact O-N 2.94Å; C455-L494 HydrophobicContact CB-CD1 4.21Å; C455-Y519 WeakPolarHBondContact CA-OH 3.48Å; C455-Y519 HydrophobicContact CB-CE2 4.26Å; C455-Y519 WeakPolarHBondContact CB-OH 3.49Å; C455-Y519 PolarHBondContact N-OH 3.45Å
456	C	97.5	Very high	93.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-45.2	172.2	-76.5	0	0	0	0	111.8	V441 R452 L453 L458 L459 W460	V441-C456 VanDerWaalsContact CG2-SG 3.56Å; R452-C456 WeakPolarHBondContact O-CB 3.41Å; R452-C456 PolarHBondContact O-N 2.85Å; R452-C456 PolarHBondContact O-SG 3.32Å; L453-C456 PolarHBondContact O-N 2.81Å; C456-L458 PolarHBondContact O-N 2.79Å; C456-L459 PolarHBondContact O-N 2.9Å; C456-W460 HydrophobicContact CB-CD2 4.24Å; C456-W460 HydrophobicContact CB-CE3 4.12Å; C456-W460 HydrophobicContact CB-CH2 3.8Å; C456-W460 HydrophobicContact CB-CZ2 3.91Å; C456-W460 HydrophobicContact CB-CZ3 3.9Å; C456-W460 WeakPolarHBondContact O-CB 3.38Å; C456-W460 VanDerWaalsContact O-CD2 3.27Å; C456-W460 PolarHBondContact O-N 2.86Å
457	Q	97.8	Very high	95	Very high	111 Å²	111	56 Å²	56	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-56.4	-51.4	175.6	-179	-175.2	8.4	0	0	111.2	L453 Q454 C455 L459 W460 D461	L453-Q457 WeakPolarHBondContact O-CB 3.44Å; L453-Q457 PolarHBondContact O-N 3.48Å; Q454-Q457 PolarHBondContact O-N 2.9Å; C455-Q457 VanDerWaalsContact C-N 3.33Å; C455-Q457 PolarHBondContact O-N 2.8Å; Q457-L459 VanDerWaalsContact C-N 3.27Å; Q457-L459 PolarHBondContact O-N 3.23Å; Q457-W460 PolarHBondContact O-N 3.33Å; Q457-D461 WeakPolarHBondContact O-CB 3.24Å; Q457-D461 VanDerWaalsContact O-CG 3.25Å; Q457-D461 PolarHBondContact O-N 3.49Å
458	L	97.7	Very high	96.2	Very high	60 Å²	60	56.9 Å²	56.9	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-55.1	-42.9	177.7	175.3	66.8	0	0	0	112.2	Q454 C455 C456 A462 Y519 V523	Q454-L458 WeakPolarHBondContact O-CB 3.48Å; Q454-L458 PolarHBondContact O-N 3.19Å; C455-L458 PolarHBondContact O-N 2.79Å; C456-L458 PolarHBondContact O-N 2.79Å; L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 2.91Å; L458-Y519 HydrophobicContact CD2-CE1 3.93Å; L458-V523 HydrophobicContact CD1-CG2 4.24Å; L458-V523 HydrophobicContact CD2-CG2 4.36Å; L458-V523 HydrophobicContact CG-CG2 3.97Å
459	L	98	Very high	96.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.7	-42.9	-180	-64.6	172.8	0	0	0	111.7	V439 V441 C455 C456 Q457 A462 N463 I464 A466 L522 V523 I526	V439-L459 HydrophobicContact CG1-CD1 3.83Å; V441-L459 HydrophobicContact CG2-CD1 3.64Å; C455-L459 VanDerWaalsContact O-CG 3.24Å; C455-L459 WeakPolarHBondContact O-CG 3.39Å; C455-L459 PolarHBondContact O-N 2.94Å; C456-L459 PolarHBondContact O-N 2.9Å; Q457-L459 VanDerWaalsContact C-N 3.27Å; Q457-L459 PolarHBondContact O-N 3.23Å; L459-A462 CarbonylContact O-C 3.49Å; L459-A462 PolarHBondContact O-N 3.19Å; L459-N463 PolarHBondContact O-N 3.2Å; L459-I464 HydrophobicContact CB-CB 4.23Å; L459-I464 HydrophobicContact CB-CG2 4.45Å; L459-I464 HydrophobicContact CD2-CD1 3.9Å; L459-I464 HydrophobicContact CD2-CG2 4.49Å; L459-I464 WeakPolarHBondContact O-CB 3.42Å; L459-I464 PolarHBondContact O-N 2.97Å; L459-A466 HydrophobicContact CB-CB 3.76Å; L459-A466 HydrophobicContact CD1-CB 3.82Å; L459-A466 HydrophobicContact CG-CB 4.46Å; L459-L522 HydrophobicContact CD2-CD2 4.32Å; L459-L522 HydrophobicContact CD2-CG 4.4Å; L459-V523 HydrophobicContact CD2-CG2 4.38Å; L459-I526 HydrophobicContact CD1-CD1 4.48Å; L459-I526 HydrophobicContact CD2-CD1 3.48Å; L459-I526 VanDerWaalsContact CD2-CD1 3.48Å
460	W	98.1	Very high	96.5	Very high	133 Å²	133	62.4 Å²	62.4	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-43.2	176.3	-65.7	-31.2	0	0	0	112.2	C456 Q457 A462 N463 A466	C456-W460 HydrophobicContact CB-CD2 4.24Å; C456-W460 HydrophobicContact CB-CE3 4.12Å; C456-W460 HydrophobicContact CB-CH2 3.8Å; C456-W460 HydrophobicContact CB-CZ2 3.91Å; C456-W460 HydrophobicContact CB-CZ3 3.9Å; C456-W460 WeakPolarHBondContact O-CB 3.38Å; C456-W460 VanDerWaalsContact O-CD2 3.27Å; C456-W460 PolarHBondContact O-N 2.86Å; Q457-W460 PolarHBondContact O-N 3.33Å; W460-A462 PolarHBondContact O-N 3.11Å; W460-N463 WeakPolarHBondContact O-CA 3.39Å; W460-N463 PolarHBondContact O-N 3.24Å; W460-A466 PolarHBondContact NE1-O 3.37Å
461	D	98	Very high	96.4	Very high	127 Å²	127	62.7 Å²	62.7	68%	0.679	31%	0.307	S	S	*	.	H	α-helix	trans	-60.6	-26.9	174.9	-71.2	-15.3	0	0	0	111.6	Q457 N463	Q457-D461 WeakPolarHBondContact O-CB 3.24Å; Q457-D461 VanDerWaalsContact O-CG 3.25Å; Q457-D461 PolarHBondContact O-N 3.49Å; D461-N463 VanDerWaalsContact C-N 3.34Å
462	A	97.3	Very high	96.2	Very high	22 Å²	22	64.5 Å²	64.5	18%	0.182	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.2	174.8	0	0	0	0	0	114.8	L458 L459 W460 I464 V523 K527	L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 2.91Å; L459-A462 CarbonylContact O-C 3.49Å; L459-A462 PolarHBondContact O-N 3.19Å; W460-A462 PolarHBondContact O-N 3.11Å; A462-I464 VanDerWaalsContact C-N 3.31Å; A462-I464 HydrophobicContact CB-CD1 4.34Å; A462-I464 HydrophobicContact CB-CG1 4.45Å; A462-I464 PolarHBondContact O-N 2.68Å; A462-V523 HydrophobicContact CB-CB 4.35Å; A462-V523 HydrophobicContact CB-CG1 3.46Å; A462-V523 VanDerWaalsContact CB-CG1 3.46Å; A462-V523 HydrophobicContact CB-CG2 3.88Å; A462-K527 WeakPolarHBondContact O-CE 3.38Å; A462-K527 PolarHBondContact O-NZ 3.48Å; A462-K527 VanDerWaalsContact O-NZ 3.07Å
463	N	96.3	Very high	96	Very high	144 Å²	144	70.8 Å²	70.8	77%	0.77	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	35.3	-175	-158.4	36.9	0	0	0	114.2	L459 W460 D461	L459-N463 PolarHBondContact O-N 3.2Å; W460-N463 WeakPolarHBondContact O-CA 3.39Å; W460-N463 PolarHBondContact O-N 3.24Å; D461-N463 VanDerWaalsContact C-N 3.34Å
464	I	96.9	Very high	95.8	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.334	C	S	.	.			trans	-95.9	131.3	171.3	-63.7	170.6	0	0	0	108.3	E438 V439 L459 A462 A466 V523 I526 K527	E438-I464 HydrophobicContact CB-CG2 4.47Å; V439-I464 HydrophobicContact CG1-CG2 3.62Å; L459-I464 HydrophobicContact CB-CB 4.23Å; L459-I464 HydrophobicContact CB-CG2 4.45Å; L459-I464 HydrophobicContact CD2-CD1 3.9Å; L459-I464 HydrophobicContact CD2-CG2 4.49Å; L459-I464 WeakPolarHBondContact O-CB 3.42Å; L459-I464 PolarHBondContact O-N 2.97Å; A462-I464 VanDerWaalsContact C-N 3.31Å; A462-I464 HydrophobicContact CB-CD1 4.34Å; A462-I464 HydrophobicContact CB-CG1 4.45Å; A462-I464 PolarHBondContact O-N 2.68Å; I464-A466 VanDerWaalsContact C-N 3.34Å; I464-A466 PolarHBondContact O-N 2.76Å; I464-V523 HydrophobicContact CD1-CB 4.43Å; I464-V523 HydrophobicContact CD1-CG1 4Å; I464-I526 HydrophobicContact CD1-CB 4.15Å; I464-I526 HydrophobicContact CD1-CG2 3.92Å; I464-I526 HydrophobicContact CG2-CG2 4.03Å; I464-K527 HydrophobicContact CD1-CG 4.31Å
465	K	97.6	Very high	95.7	Very high	81 Å²	81	70 Å²	70	35%	0.352	34%	0.342	S	S	.	.			trans	-76.9	83.6	-177	-55.5	-179.2	-163	70.9	0	109.9	E436 T437 E438 V439	E436-K465 HydrophobicContact CB-CD 3.62Å; E436-K465 VanDerWaalsContact O-CD 3.3Å; E436-K465 WeakPolarHBondContact O-CD 3.35Å; E436-K465 WeakPolarHBondContact OE2-CE 3.44Å; T437-K465 WeakPolarHBondContact CG2-O 3.5Å; E438-K465 HydrophobicContact CB-CB 4.37Å; E438-K465 HydrophobicContact CG-CB 4.13Å; E438-K465 PolarHBondContact N-O 3.3Å; E438-K465 IonicContact OE1-NZ 2.72Å; E438-K465 PolarHBondContact OE1-NZ 3.4Å; E438-K465 PolarHBondContact OE2-N 2.7Å; V439-K465 PolarHBondContact N-O 3.11Å
466	A	97.8	Very high	95.5	Very high	11 Å²	11	72.4 Å²	72.4	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	152.6	-176.7	0	0	0	0	0	113.5	V439 L459 W460 I464	V439-A466 HydrophobicContact CG1-CB 3.61Å; V439-A466 CarbonylContact O-C 3.55Å; V439-A466 VanDerWaalsContact O-CA 3.24Å; V439-A466 WeakPolarHBondContact O-CA 3.36Å; L459-A466 HydrophobicContact CB-CB 3.76Å; L459-A466 HydrophobicContact CD1-CB 3.82Å; L459-A466 HydrophobicContact CG-CB 4.46Å; W460-A466 PolarHBondContact NE1-O 3.37Å; I464-A466 VanDerWaalsContact C-N 3.34Å; I464-A466 PolarHBondContact O-N 2.76Å
467	T	97.1	Very high	95.4	Very high	31 Å²	31	77.6 Å²	77.6	19%	0.19	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.4	169.7	-163.7	0	0	0	0	111.6	T437 V439 M440 V441 Y482 I488	T437-T467 HydrophobicContact CG2-CG2 3.65Å; V439-T467 PolarHBondContact O-N 2.95Å; M440-T467 CarbonylContact C-O 3.54Å; M440-T467 WeakPolarHBondContact CA-O 3.32Å; M440-T467 HydrophobicContact CB-CG2 4.2Å; M440-T467 HydrophobicContact CG-CG2 4.12Å; V441-T467 PolarHBondContact N-O 2.76Å; T467-Y482 HydrophobicContact CG2-CE1 4.34Å; T467-I488 HydrophobicContact CG2-CD1 3.82Å
468	M	95.8	Very high	95.2	Very high	27 Å²	27	75.2 Å²	75.2	13%	0.133	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.1	170.6	62.3	162.8	-176	0	0	111.3	V441 R452 L453	V441-M468 HydrophobicContact CB-CB 4.32Å; V441-M468 WeakPolarHBondContact O-CB 3.37Å; R452-M468 HydrophobicContact CB-SD 3.91Å; L453-M468 HydrophobicContact CD2-CE 3.31Å; L453-M468 HydrophobicContact CD2-SD 4.42Å; L453-M468 HydrophobicContact CG-CE 3.89Å; L453-M468 HydrophobicContact CG-SD 4.49Å
469	S	94.4	Very high	95.1	Very high	27 Å²	27	72.5 Å²	72.5	19%	0.189	36%	0.357	C	S	.	.			trans	-70	133.1	173.3	-174.4	0	0	0	0	112	R452 K471	R452-S469 PolarHBondContact NH1-O 3.06Å; S469-K471 PolarHBondContact O-N 3.11Å; S469-K471 PolarHBondContact OG-N 3.34Å
470	H	93.1	Very high	95	Very high	174 Å²	174	73.5 Å²	73.5	81%	0.806	36%	0.363	S	S	*	.	S	Bend	trans	-77.8	7.5	173	-62.9	169.8	0	0	0	114.2
471	K	92.1	Very high	94.9	Very high	120 Å²	120	71.8 Å²	71.8	52%	0.522	36%	0.36	S	S	.	.	S	Bend	trans	-80.3	145.9	170	-63	-179.8	-178.4	175.6	0	109.5	R452 S469 P474 D478	R452-K471 PolarHBondContact NH2-O 2.81Å; S469-K471 PolarHBondContact O-N 3.11Å; S469-K471 PolarHBondContact OG-N 3.34Å; K471-P474 HydrophobicContact CB-CB 4.15Å; K471-P474 WeakPolarHBondContact O-CD 3.38Å; K471-D478 IonicContact NZ-OD2 2.81Å
472	N	90.1	Very high	94.7	Very high	104 Å²	104	70.5 Å²	70.5	56%	0.556	35%	0.347	S	S	*	.	S	Bend	trans	-62.6	-47.7	172.9	-71	-15	0	0	0	110.8	G447 R452 P474	G447-N472 CarbonylContact C-O 3.54Å; G447-N472 WeakPolarHBondContact CA-O 3.42Å; R452-N472 PolarHBondContact NH2-O 3.25Å; R452-N472 VanDerWaalsContact NH2-O 3.16Å; N472-P474 WeakPolarHBondContact O-CD 3.45Å
473	H	90.5	Very high	94.7	Very high	135 Å²	135	69.4 Å²	69.4	63%	0.625	34%	0.338	S	S	*	.	S	Bend	trans	-123.9	70.4	-178.7	-49.9	-70.6	0	0	0	111.3	K446	K446-H473 VanDerWaalsContact C-ND1 3.34Å; K446-H473 PolarHBondContact O-CE1 2.76Å; K446-H473 VanDerWaalsContact O-CE1 3.28Å; K446-H473 PolarHBondContact O-ND1 2.76Å
474	P	92.9	Very high	94.5	Very high	11 Å²	11	67.3 Å²	67.3	7%	0.071	32%	0.323	C	S	.	.			trans	-67.8	140.6	178.8	30.6	-33.8	0	0	0	110.3	K471 N472 Q479	K471-P474 HydrophobicContact CB-CB 4.15Å; K471-P474 WeakPolarHBondContact O-CD 3.38Å; N472-P474 WeakPolarHBondContact O-CD 3.45Å; P474-Q479 HydrophobicContact CB-CG 3.85Å; P474-Q479 HydrophobicContact CG-CG 4.34Å; P474-Q479 VanDerWaalsContact CG-OE1 3.29Å
475	K	93.2	Very high	94.3	Very high	148 Å²	148	71.6 Å²	71.6	64%	0.643	35%	0.354	S	S	*	.			trans	-70	140	170	-66.7	-179.2	178.3	179.8	0	108.8	L477 D478 Q479	K475-L477 VanDerWaalsContact C-N 3.26Å; K475-L477 PolarHBondContact O-N 3.23Å; K475-D478 HydrophobicContact CB-CB 4.33Å; K475-D478 PolarHBondContact O-N 3.34Å; K475-Q479 WeakPolarHBondContact O-CG 3.42Å; K475-Q479 PolarHBondContact O-N 3.29Å; K475-Q479 PolarHBondContact O-NE2 3.48Å
476	L	93.8	Very high	94	Very high	49 Å²	49	69.3 Å²	69.3	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-41.7	176.9	-176.3	59.2	0	0	0	111.6	A442 A444 D478 Q479 L480 V493	A442-L476 HydrophobicContact CB-CD1 3.93Å; A444-L476 HydrophobicContact CB-CD2 4.34Å; L476-D478 PolarHBondContact O-N 3.01Å; L476-Q479 WeakPolarHBondContact O-CB 3.46Å; L476-Q479 PolarHBondContact O-N 3.44Å; L476-L480 HydrophobicContact CD1-CD1 4.43Å; L476-L480 HydrophobicContact CD1-CG 4.3Å; L476-L480 HydrophobicContact CG-CD1 4.14Å; L476-L480 HydrophobicContact CG-CG 4.42Å; L476-L480 WeakPolarHBondContact O-CG 3.18Å; L476-L480 PolarHBondContact O-N 2.72Å; L476-V493 HydrophobicContact CD1-CG1 4Å; L476-V493 HydrophobicContact CD1-CG2 4.19Å; L476-V493 HydrophobicContact CD2-CG1 4.34Å
477	L	94.1	Very high	93.6	Very high	109 Å²	109	70.2 Å²	70.2	57%	0.571	36%	0.357	S	S	*	.	H	α-helix	trans	-57.6	-49.7	177.5	-176.3	62.4	0	0	0	112.3	K475 Q479 L480 Q481	K475-L477 VanDerWaalsContact C-N 3.26Å; K475-L477 PolarHBondContact O-N 3.23Å; L477-Q479 PolarHBondContact O-N 2.86Å; L477-L480 PolarHBondContact O-N 2.86Å; L477-Q481 HydrophobicContact CD1-CG 4.29Å; L477-Q481 HydrophobicContact CG-CG 4.42Å; L477-Q481 WeakPolarHBondContact O-CB 3.24Å; L477-Q481 WeakPolarHBondContact O-CG 3.42Å; L477-Q481 PolarHBondContact O-N 3.23Å
478	D	94.6	Very high	93.6	Very high	61 Å²	61	68.8 Å²	68.8	33%	0.326	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-35.1	178.4	-59.5	6.6	0	0	0	112	K471 K475 L476 Y482	K471-D478 IonicContact NZ-OD2 2.81Å; K475-D478 HydrophobicContact CB-CB 4.33Å; K475-D478 PolarHBondContact O-N 3.34Å; L476-D478 PolarHBondContact O-N 3.01Å; D478-Y482 WeakPolarHBondContact O-CB 3.43Å; D478-Y482 PolarHBondContact O-N 3.33Å
479	Q	95.8	Very high	93.5	Very high	3 Å²	3	68.1 Å²	68.1	1%	0.014	35%	0.346	C	S	.	.	H	α-helix	trans	-71.4	-44.9	179	-66.9	168.3	107.2	0	0	111.2	M440 A442 G443 P474 K475 L476 L477 Y482 C483	M440-Q479 HydrophobicContact CE-CB 3.65Å; M440-Q479 HydrophobicContact CE-CG 3.67Å; M440-Q479 HydrophobicContact SD-CB 3.99Å; A442-Q479 VanDerWaalsContact CA-OE1 3.25Å; A442-Q479 HydrophobicContact CB-CB 4.15Å; G443-Q479 PolarHBondContact O-NE2 3.49Å; G443-Q479 VanDerWaalsContact O-NE2 3.11Å; P474-Q479 HydrophobicContact CB-CG 3.85Å; P474-Q479 HydrophobicContact CG-CG 4.34Å; P474-Q479 VanDerWaalsContact CG-OE1 3.29Å; K475-Q479 WeakPolarHBondContact O-CG 3.42Å; K475-Q479 PolarHBondContact O-N 3.29Å; K475-Q479 PolarHBondContact O-NE2 3.48Å; L476-Q479 WeakPolarHBondContact O-CB 3.46Å; L476-Q479 PolarHBondContact O-N 3.44Å; L477-Q479 PolarHBondContact O-N 2.86Å; Q479-Y482 WeakPolarHBondContact O-CB 3.41Å; Q479-Y482 PolarHBondContact O-N 2.95Å; Q479-C483 PolarHBondContact O-N 3.42Å; Q479-C483 VanDerWaalsContact O-N 3.1Å; Q479-C483 PolarHBondContact O-SG 3.29Å
480	L	95.6	Very high	93.7	Very high	21 Å²	21	66.9 Å²	66.9	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-66.4	-39.8	176.9	-63.2	177	0	0	0	111.7	L476 L477 Y482 C483 E484 A491 I509	L476-L480 HydrophobicContact CD1-CD1 4.43Å; L476-L480 HydrophobicContact CD1-CG 4.3Å; L476-L480 HydrophobicContact CG-CD1 4.14Å; L476-L480 HydrophobicContact CG-CG 4.42Å; L476-L480 WeakPolarHBondContact O-CG 3.18Å; L476-L480 PolarHBondContact O-N 2.72Å; L477-L480 PolarHBondContact O-N 2.86Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 2.67Å; L480-C483 WeakPolarHBondContact O-CB 3.22Å; L480-C483 PolarHBondContact O-N 2.83Å; L480-C483 VanDerWaalsContact O-N 3.15Å; L480-E484 PolarHBondContact O-N 2.97Å; L480-A491 HydrophobicContact CD2-CB 4.06Å; L480-I509 HydrophobicContact CD2-CD1 3.79Å
481	Q	95.2	Very high	93.9	Very high	97 Å²	97	58.6 Å²	58.6	45%	0.453	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-36.3	173.3	-74.5	177.2	-22.1	0	0	112.2	L477 E484 S485	L477-Q481 HydrophobicContact CD1-CG 4.29Å; L477-Q481 HydrophobicContact CG-CG 4.42Å; L477-Q481 WeakPolarHBondContact O-CB 3.24Å; L477-Q481 WeakPolarHBondContact O-CG 3.42Å; L477-Q481 PolarHBondContact O-N 3.23Å; Q481-E484 PolarHBondContact O-N 3.49Å; Q481-S485 WeakPolarHBondContact O-CB 3.26Å; Q481-S485 PolarHBondContact O-N 2.81Å; Q481-S485 PolarHBondContact O-OG 3.41Å; Q481-S485 VanDerWaalsContact O-OG 3.14Å
482	Y	95.4	Very high	94.1	Very high	100 Å²	100	52.9 Å²	52.9	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-46.2	172.3	-180	-97	0	0	0	110.9	M440 T467 D478 Q479 L480 E484 S485 T486 I488	M440-Y482 HydrophobicContact CE-CD1 4.2Å; M440-Y482 HydrophobicContact SD-CD1 3.85Å; T467-Y482 HydrophobicContact CG2-CE1 4.34Å; D478-Y482 WeakPolarHBondContact O-CB 3.43Å; D478-Y482 PolarHBondContact O-N 3.33Å; Q479-Y482 WeakPolarHBondContact O-CB 3.41Å; Q479-Y482 PolarHBondContact O-N 2.95Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 2.67Å; Y482-E484 PolarHBondContact O-N 2.94Å; Y482-S485 PolarHBondContact O-N 3.47Å; Y482-S485 PolarHBondContact O-OG 3.12Å; Y482-T486 HydrophobicContact CD2-CG2 4.17Å; Y482-T486 HydrophobicContact CE1-CG2 4.27Å; Y482-T486 HydrophobicContact CE2-CG2 3.78Å; Y482-T486 WeakPolarHBondContact O-CB 3.5Å; Y482-T486 PolarHBondContact O-N 2.85Å; Y482-T486 PolarHBondContact O-OG1 2.84Å; Y482-I488 HydrophobicContact CD1-CD1 4.06Å; Y482-I488 HydrophobicContact CE1-CD1 3.74Å
483	C	95.8	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-48.3	174.3	-62.7	0	0	0	0	112.3	M440 Q479 L480 S485 T486 G487 I488 I509	M440-C483 WeakPolarHBondContact CB-SG 3.39Å; M440-C483 PolarHBondContact SD-SG 3.23Å; Q479-C483 PolarHBondContact O-N 3.42Å; Q479-C483 VanDerWaalsContact O-N 3.1Å; Q479-C483 PolarHBondContact O-SG 3.29Å; L480-C483 WeakPolarHBondContact O-CB 3.22Å; L480-C483 PolarHBondContact O-N 2.83Å; L480-C483 VanDerWaalsContact O-N 3.15Å; C483-S485 PolarHBondContact O-N 2.9Å; C483-T486 PolarHBondContact O-N 2.75Å; C483-G487 CarbonylContact O-C 3.54Å; C483-G487 WeakPolarHBondContact O-CA 3.45Å; C483-G487 PolarHBondContact O-N 2.75Å; C483-I488 HydrophobicContact CB-CB 3.99Å; C483-I488 PolarHBondContact O-N 2.77Å; C483-I509 HydrophobicContact CB-CD1 3.79Å; C483-I509 HydrophobicContact CB-CG1 3.81Å; C483-I509 HydrophobicContact CB-CG2 4.04Å
484	E	93.3	Very high	94.7	Very high	99 Å²	99	41.9 Å²	41.9	46%	0.463	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-48.1	178.6	-70.1	176.1	162.7	0	0	111.3	L480 Q481 Y482 T486 G487 I509 R512	L480-E484 PolarHBondContact O-N 2.97Å; Q481-E484 PolarHBondContact O-N 3.49Å; Y482-E484 PolarHBondContact O-N 2.94Å; E484-T486 VanDerWaalsContact C-N 3.32Å; E484-T486 PolarHBondContact O-N 2.83Å; E484-G487 PolarHBondContact O-N 2.83Å; E484-I509 HydrophobicContact CG-CG2 3.82Å; E484-R512 IonicContact OE1-NH2 3.9Å; E484-R512 PolarHBondContact OE1-NH2 2.8Å
485	S	91.5	Very high	94.7	Very high	95 Å²	95	41.8 Å²	41.8	66%	0.664	22%	0.221	S	C	*	.	H	α-helix	trans	-69.4	-24.5	-177.9	67.6	0	0	0	0	114.8	Q481 Y482 C483	Q481-S485 WeakPolarHBondContact O-CB 3.26Å; Q481-S485 PolarHBondContact O-N 2.81Å; Q481-S485 PolarHBondContact O-OG 3.41Å; Q481-S485 VanDerWaalsContact O-OG 3.14Å; Y482-S485 PolarHBondContact O-N 3.47Å; Y482-S485 PolarHBondContact O-OG 3.12Å; C483-S485 PolarHBondContact O-N 2.9Å
486	T	90.9	Very high	94.6	Very high	33 Å²	33	39.3 Å²	39.3	20%	0.202	21%	0.212	C	C	.	.	H	α-helix	trans	-106.4	-2.1	-178.8	58	0	0	0	0	113.2	R433 Y482 C483 E484 I488	R433-T486 PolarHBondContact NE-O 3.21Å; Y482-T486 HydrophobicContact CD2-CG2 4.17Å; Y482-T486 HydrophobicContact CE1-CG2 4.27Å; Y482-T486 HydrophobicContact CE2-CG2 3.78Å; Y482-T486 WeakPolarHBondContact O-CB 3.5Å; Y482-T486 PolarHBondContact O-N 2.85Å; Y482-T486 PolarHBondContact O-OG1 2.84Å; C483-T486 PolarHBondContact O-N 2.75Å; E484-T486 VanDerWaalsContact C-N 3.32Å; E484-T486 PolarHBondContact O-N 2.83Å; T486-I488 WeakPolarHBondContact OG1-CD1 3.42Å; T486-I488 WeakPolarHBondContact OG1-CG1 3.37Å
487	G	91.4	Very high	94.5	Very high	31 Å²	31	41 Å²	41	32%	0.32	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	21.2	-179.5	0	0	0	0	0	115.1	R433 C483 E484 P489	R433-G487 VanDerWaalsContact NE-C 3.33Å; R433-G487 PolarHBondContact NE-O 2.76Å; R433-G487 VanDerWaalsContact NE-O 3.07Å; R433-G487 PolarHBondContact NH1-O 2.88Å; R433-G487 PolarHBondContact NH2-O 3.39Å; C483-G487 CarbonylContact O-C 3.54Å; C483-G487 WeakPolarHBondContact O-CA 3.45Å; C483-G487 PolarHBondContact O-N 2.75Å; E484-G487 PolarHBondContact O-N 2.83Å; G487-P489 WeakPolarHBondContact O-CD 3.29Å
488	I	95.2	Very high	94.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.206	C	C	.	.			trans	-67.2	123.6	176.8	-61.7	170	0	0	0	108.7	T437 M440 T467 Y482 C483 T486 L490 I509	T437-I488 HydrophobicContact CG2-CD1 3.7Å; T437-I488 HydrophobicContact CG2-CG1 3.92Å; T437-I488 HydrophobicContact CG2-CG2 4.21Å; M440-I488 HydrophobicContact CB-CG2 4.39Å; T467-I488 HydrophobicContact CG2-CD1 3.82Å; Y482-I488 HydrophobicContact CD1-CD1 4.06Å; Y482-I488 HydrophobicContact CE1-CD1 3.74Å; C483-I488 HydrophobicContact CB-CB 3.99Å; C483-I488 PolarHBondContact O-N 2.77Å; T486-I488 WeakPolarHBondContact OG1-CD1 3.42Å; T486-I488 WeakPolarHBondContact OG1-CG1 3.37Å; I488-L490 WeakPolarHBondContact CG2-O 3.47Å; I488-I509 WeakPolarHBondContact O-CB 3.43Å; I488-I509 WeakPolarHBondContact O-CG1 3.21Å
489	P	95.1	Very high	94.3	Very high	12 Å²	12	36.2 Å²	36.2	8%	0.078	20%	0.201	C	C	.	.			trans	-78.3	-28.8	-169.4	26.7	-32.1	0	0	0	114.2	T437 E438 G487 I509 L530 Y534	T437-P489 WeakPolarHBondContact O-CD 3.26Å; E438-P489 WeakPolarHBondContact O-CD 3.25Å; E438-P489 VanDerWaalsContact O-CG 3.28Å; E438-P489 WeakPolarHBondContact O-CG 3.16Å; G487-P489 WeakPolarHBondContact O-CD 3.29Å; P489-I509 WeakPolarHBondContact O-CB 3.4Å; P489-I509 WeakPolarHBondContact O-CG1 3.36Å; P489-I509 PolarHBondContact O-N 3.4Å; P489-L530 HydrophobicContact CG-CD2 4.28Å; P489-Y534 HydrophobicContact CB-CD1 4.18Å; P489-Y534 HydrophobicContact CB-CD2 4.26Å; P489-Y534 HydrophobicContact CB-CE1 3.56Å; P489-Y534 HydrophobicContact CB-CE2 3.67Å; P489-Y534 HydrophobicContact CB-CG 4.49Å; P489-Y534 WeakPolarHBondContact CB-OH 3.46Å; P489-Y534 HydrophobicContact CG-CE1 4.49Å; P489-Y534 HydrophobicContact CG-CE2 4.47Å
490	L	97.3	Very high	94.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.5	-174.2	-58.4	175.8	0	0	0	112.6	E438 V439 M440 I488 L506 R507 D508 I526 V529 L530	E438-L490 WeakPolarHBondContact O-CB 3.33Å; E438-L490 PolarHBondContact O-N 3.26Å; V439-L490 CarbonylContact C-O 3.58Å; V439-L490 WeakPolarHBondContact CA-O 3.3Å; V439-L490 HydrophobicContact CB-CB 4.2Å; V439-L490 HydrophobicContact CG2-CB 4Å; M440-L490 PolarHBondContact N-O 3.17Å; I488-L490 WeakPolarHBondContact CG2-O 3.47Å; L490-L506 HydrophobicContact CB-CD1 4.28Å; L490-L506 HydrophobicContact CD1-CD1 4.48Å; L490-R507 CarbonylContact C-O 3.55Å; L490-R507 WeakPolarHBondContact CA-O 3.21Å; L490-D508 HydrophobicContact CD2-CB 4.37Å; L490-I526 HydrophobicContact CD1-CG2 4.11Å; L490-V529 HydrophobicContact CD1-CB 4.44Å; L490-V529 HydrophobicContact CD1-CG1 4.16Å; L490-V529 HydrophobicContact CD2-CG1 3.84Å; L490-L530 HydrophobicContact CD1-CD2 3.87Å; L490-L530 HydrophobicContact CD1-CG 4.05Å
491	A	97.6	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.8	165.8	0	0	0	0	0	111.9	M440 L480 R507 I509	M440-A491 CarbonylContact O-C 3.6Å; M440-A491 WeakPolarHBondContact O-CA 3.39Å; L480-A491 HydrophobicContact CD2-CB 4.06Å; A491-R507 HydrophobicContact CB-CB 4.5Å; A491-R507 PolarHBondContact N-O 2.87Å; A491-R507 PolarHBondContact O-N 2.96Å; A491-I509 HydrophobicContact CB-CD1 3.82Å
492	V	97.5	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.2	168.9	179.6	0	0	0	0	107.9	V439 M440 V441 A442 L494 V504 K505 L506 L522 I526	V439-V492 HydrophobicContact CG2-CG2 3.65Å; M440-V492 PolarHBondContact O-N 3.07Å; V441-V492 CarbonylContact C-O 3.58Å; A442-V492 PolarHBondContact N-O 2.9Å; V492-L494 HydrophobicContact CG1-CD2 3.92Å; V492-V504 HydrophobicContact CG1-CB 3.98Å; V492-V504 HydrophobicContact CG1-CG1 4.36Å; V492-V504 HydrophobicContact CG1-CG2 3.97Å; V492-K505 CarbonylContact C-O 3.54Å; V492-K505 WeakPolarHBondContact CA-O 3.39Å; V492-L506 HydrophobicContact CG2-CD1 3.91Å; V492-L522 HydrophobicContact CG1-CD1 4.31Å; V492-L522 HydrophobicContact CG1-CD2 4.07Å; V492-L522 HydrophobicContact CG2-CD1 3.87Å; V492-L522 HydrophobicContact CG2-CD2 4.32Å; V492-I526 HydrophobicContact CG2-CD1 3.96Å
493	V	96.1	Very high	94.2	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.1	-179.6	-174.6	0	0	0	0	109.7	A442 A444 L476 K505	A442-V493 HydrophobicContact CB-CG2 4.42Å; A442-V493 WeakPolarHBondContact O-CA 3.43Å; A444-V493 HydrophobicContact CB-CG1 4.05Å; L476-V493 HydrophobicContact CD1-CG1 4Å; L476-V493 HydrophobicContact CD1-CG2 4.19Å; L476-V493 HydrophobicContact CD2-CG1 4.34Å; V493-K505 HydrophobicContact CB-CB 4.16Å; V493-K505 PolarHBondContact N-O 2.78Å; V493-K505 PolarHBondContact O-N 2.93Å
494	L	95.5	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129	175.7	-51.3	-174.2	0	0	0	110.3	V441 A442 A444 L448 Q451 R452 C455 V492 L499 V504	V441-L494 HydrophobicContact CG1-CD1 3.89Å; V441-L494 HydrophobicContact CG1-CG 4.17Å; A442-L494 PolarHBondContact O-N 3.16Å; A444-L494 PolarHBondContact N-O 2.96Å; L448-L494 HydrophobicContact CD1-CB 4.02Å; Q451-L494 HydrophobicContact CB-CD1 4.02Å; R452-L494 HydrophobicContact CB-CD1 4.33Å; R452-L494 HydrophobicContact CG-CD1 3.76Å; C455-L494 HydrophobicContact CB-CD1 4.21Å; V492-L494 HydrophobicContact CG1-CD2 3.92Å; L494-L499 HydrophobicContact CB-CD1 4.46Å; L494-V504 HydrophobicContact CD2-CB 4.2Å; L494-V504 HydrophobicContact CD2-CG1 3.32Å
495	G	93.3	Very high	94.3	Very high	8 Å²	8	40.4 Å²	40.4	8%	0.082	24%	0.237	C	C	.	.			trans	-134.5	154.1	171.4	0	0	0	0	0	110.9	S497 E498 L499	G495-S497 VanDerWaalsContact C-N 3.27Å; G495-S497 PolarHBondContact O-N 2.88Å; G495-E498 VanDerWaalsContact CA-OE2 3.25Å; G495-E498 WeakPolarHBondContact CA-OE2 3.25Å; G495-E498 PolarHBondContact O-N 3.39Å; G495-L499 WeakPolarHBondContact O-CB 3.47Å; G495-L499 VanDerWaalsContact O-CG 3.26Å; G495-L499 WeakPolarHBondContact O-CG 3.46Å; G495-L499 PolarHBondContact O-N 3.43Å
496	E	91.8	Very high	94.6	Very high	97 Å²	97	36 Å²	36	45%	0.453	21%	0.206	S	C	.	.	H	α-helix	trans	-59.5	-39.2	-178.2	-69.2	-179.2	156.6	0	0	111.7	K446 L448 A500	K446-E496 VanDerWaalsContact CD-OE1 3.29Å; K446-E496 WeakPolarHBondContact CD-OE1 3.44Å; K446-E496 VanDerWaalsContact NZ-CD 3.34Å; K446-E496 IonicContact NZ-OE1 3.03Å; K446-E496 PolarHBondContact NZ-OE1 3.31Å; K446-E496 IonicContact NZ-OE2 2.81Å; K446-E496 PolarHBondContact NZ-OE2 2.86Å; L448-E496 HydrophobicContact CD2-CG 4.07Å; E496-A500 WeakPolarHBondContact O-CB 3.29Å; E496-A500 PolarHBondContact O-N 3.43Å
497	S	92	Very high	94.9	Very high	84 Å²	84	37 Å²	37	59%	0.587	21%	0.206	S	C	*	.	H	α-helix	trans	-70.7	-38.1	-179	-57.7	0	0	0	0	113.1	G495 R501	G495-S497 VanDerWaalsContact C-N 3.27Å; G495-S497 PolarHBondContact O-N 2.88Å; S497-R501 WeakPolarHBondContact O-CG 3.44Å; S497-R501 PolarHBondContact O-N 3.42Å; S497-R501 PolarHBondContact O-NE 3.37Å
498	E	92.2	Very high	95	Very high	26 Å²	26	35.8 Å²	35.8	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-70	-45.3	176.6	-65.8	81.5	177.3	0	0	110.6	G495 A500 R501 N502 T503 K505	G495-E498 VanDerWaalsContact CA-OE2 3.25Å; G495-E498 WeakPolarHBondContact CA-OE2 3.25Å; G495-E498 PolarHBondContact O-N 3.39Å; E498-A500 VanDerWaalsContact C-N 3.33Å; E498-A500 PolarHBondContact O-N 3.47Å; E498-R501 CarbonylContact O-C 3.03Å; E498-R501 WeakPolarHBondContact O-CA 3.26Å; E498-R501 PolarHBondContact O-N 3Å; E498-N502 PolarHBondContact O-N 3.32Å; E498-T503 CarbonylContact C-O 3.48Å; E498-T503 WeakPolarHBondContact CA-OG1 3.28Å; E498-T503 VanDerWaalsContact CB-O 3.3Å; E498-T503 WeakPolarHBondContact CB-O 3.34Å; E498-T503 PolarHBondContact O-N 3.36Å; E498-T503 PolarHBondContact O-OG1 3.45Å; E498-K505 HydrophobicContact CG-CD 4.45Å; E498-K505 HydrophobicContact CG-CG 4.36Å; E498-K505 WeakPolarHBondContact OE1-CE 3.3Å; E498-K505 IonicContact OE1-NZ 3.56Å; E498-K505 PolarHBondContact OE1-NZ 3.23Å
499	L	92.4	Very high	95	Very high	43 Å²	43	36.6 Å²	36.6	23%	0.225	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-39	176.8	-71.8	169.6	0	0	0	112.1	L448 Q451 L494 G495 R501 N502 T503 V504	L448-L499 HydrophobicContact CD1-CD1 3.96Å; Q451-L499 HydrophobicContact CB-CD1 4.04Å; Q451-L499 HydrophobicContact CG-CD1 3.87Å; L494-L499 HydrophobicContact CB-CD1 4.46Å; G495-L499 WeakPolarHBondContact O-CB 3.47Å; G495-L499 VanDerWaalsContact O-CG 3.26Å; G495-L499 WeakPolarHBondContact O-CG 3.46Å; G495-L499 PolarHBondContact O-N 3.43Å; L499-R501 PolarHBondContact O-N 3.47Å; L499-N502 PolarHBondContact O-N 2.89Å; L499-T503 PolarHBondContact N-O 3.36Å; L499-V504 HydrophobicContact CD2-CG1 4.45Å
500	A	92.7	Very high	94.8	Very high	87 Å²	87	43.8 Å²	43.8	72%	0.719	23%	0.229	S	C	*	.	H	α-helix	trans	-62.1	-24.4	173.8	0	0	0	0	0	113.1	E496 E498	E496-A500 WeakPolarHBondContact O-CB 3.29Å; E496-A500 PolarHBondContact O-N 3.43Å; E498-A500 VanDerWaalsContact C-N 3.33Å; E498-A500 PolarHBondContact O-N 3.47Å
501	R	94.3	Very high	94.6	Very high	132 Å²	132	46.2 Å²	46.2	50%	0.498	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.8	175	-64.5	-174.9	-62.8	138	2.9	113.2	S497 E498 L499 T503 E516	S497-R501 WeakPolarHBondContact O-CG 3.44Å; S497-R501 PolarHBondContact O-N 3.42Å; S497-R501 PolarHBondContact O-NE 3.37Å; E498-R501 CarbonylContact O-C 3.03Å; E498-R501 WeakPolarHBondContact O-CA 3.26Å; E498-R501 PolarHBondContact O-N 3Å; L499-R501 PolarHBondContact O-N 3.47Å; R501-T503 HydrophobicContact CB-CG2 4.49Å; R501-T503 PolarHBondContact O-N 3.44Å; R501-E516 IonicContact CZ-OE1 2.8Å; R501-E516 IonicContact CZ-OE2 2.95Å; R501-E516 IonicContact NH1-OE1 3.04Å; R501-E516 PolarHBondContact NH1-OE1 2.92Å; R501-E516 IonicContact NH1-OE2 3.57Å; R501-E516 PolarHBondContact NH1-OE2 3.32Å; R501-E516 IonicContact NH2-OE1 2.67Å; R501-E516 PolarHBondContact NH2-OE1 3.37Å; R501-E516 IonicContact NH2-OE2 3.41Å; R501-E516 PolarHBondContact NH2-OE2 3.42Å
502	N	94.9	Very high	94.4	Very high	116 Å²	116	53.6 Å²	53.6	62%	0.62	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.6	-171.9	-67	-38.7	0	0	0	113.3	E498 L499 Y519	E498-N502 PolarHBondContact O-N 3.32Å; L499-N502 PolarHBondContact O-N 2.89Å; N502-Y519 PolarHBondContact O-N 3.39Å
503	T	96.5	Very high	94.2	Very high	11 Å²	11	58.1 Å²	58.1	7%	0.067	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	162.1	179.4	56.3	0	0	0	0	110.8	E498 L499 R501 E516 V517 L518	E498-T503 CarbonylContact C-O 3.48Å; E498-T503 WeakPolarHBondContact CA-OG1 3.28Å; E498-T503 VanDerWaalsContact CB-O 3.3Å; E498-T503 WeakPolarHBondContact CB-O 3.34Å; E498-T503 PolarHBondContact O-N 3.36Å; E498-T503 PolarHBondContact O-OG1 3.45Å; L499-T503 PolarHBondContact N-O 3.36Å; R501-T503 HydrophobicContact CB-CG2 4.49Å; R501-T503 PolarHBondContact O-N 3.44Å; T503-E516 HydrophobicContact CG2-CG 4.1Å; T503-E516 PolarHBondContact OG1-OE1 2.91Å; T503-V517 CarbonylContact C-O 3.6Å; T503-V517 WeakPolarHBondContact CA-O 3.36Å; T503-L518 HydrophobicContact CG2-CD2 3.97Å
504	V	96.3	Very high	94.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.7	169.8	-70.1	0	0	0	0	109.7	V492 L494 L499 V517 Y519 L522	V492-V504 HydrophobicContact CG1-CB 3.98Å; V492-V504 HydrophobicContact CG1-CG1 4.36Å; V492-V504 HydrophobicContact CG1-CG2 3.97Å; L494-V504 HydrophobicContact CD2-CB 4.2Å; L494-V504 HydrophobicContact CD2-CG1 3.32Å; L499-V504 HydrophobicContact CD2-CG1 4.45Å; V504-V517 PolarHBondContact N-O 2.84Å; V504-V517 PolarHBondContact O-N 2.85Å; V504-Y519 HydrophobicContact CG1-CD2 3.56Å; V504-Y519 HydrophobicContact CG1-CE2 4.09Å; V504-Y519 HydrophobicContact CG2-CD2 4.39Å; V504-L522 HydrophobicContact CG2-CD1 3.76Å; V504-L522 HydrophobicContact CG2-CD2 4.13Å; V504-L522 HydrophobicContact CG2-CG 4.37Å
505	K	96.5	Very high	94	Very high	63 Å²	63	66.7 Å²	66.7	27%	0.274	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.1	173	-75.7	170.8	174.3	160.4	0	109.6	V492 V493 E498 Y515	V492-K505 CarbonylContact C-O 3.54Å; V492-K505 WeakPolarHBondContact CA-O 3.39Å; V493-K505 HydrophobicContact CB-CB 4.16Å; V493-K505 PolarHBondContact N-O 2.78Å; V493-K505 PolarHBondContact O-N 2.93Å; E498-K505 HydrophobicContact CG-CD 4.45Å; E498-K505 HydrophobicContact CG-CG 4.36Å; E498-K505 WeakPolarHBondContact OE1-CE 3.3Å; E498-K505 IonicContact OE1-NZ 3.56Å; E498-K505 PolarHBondContact OE1-NZ 3.23Å; K505-Y515 CarbonylContact C-O 3.57Å; K505-Y515 WeakPolarHBondContact CA-O 3.06Å
506	L	97.1	Very high	94.1	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.1	169.2	-178.4	65.4	0	0	0	108.3	L490 V492 E514 Y515 V517 K525 I526 V529	L490-L506 HydrophobicContact CB-CD1 4.28Å; L490-L506 HydrophobicContact CD1-CD1 4.48Å; V492-L506 HydrophobicContact CG2-CD1 3.91Å; L506-E514 WeakPolarHBondContact O-CA 3.29Å; L506-Y515 PolarHBondContact N-O 3.11Å; L506-Y515 PolarHBondContact O-N 2.82Å; L506-V517 HydrophobicContact CB-CG2 3.96Å; L506-K525 HydrophobicContact CD2-CG 3.91Å; L506-I526 HydrophobicContact CD1-CD1 4.45Å; L506-I526 HydrophobicContact CD1-CG1 3.92Å; L506-I526 HydrophobicContact CD2-CG1 4.2Å; L506-V529 HydrophobicContact CD2-CG2 4.34Å
507	R	96.4	Very high	94.3	Very high	54 Å²	54	66.9 Å²	66.9	20%	0.204	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.4	179.8	-172.2	172	-161.7	158.3	-4.6	110.8	L490 A491 E513 E514	L490-R507 CarbonylContact C-O 3.55Å; L490-R507 WeakPolarHBondContact CA-O 3.21Å; A491-R507 HydrophobicContact CB-CB 4.5Å; A491-R507 PolarHBondContact N-O 2.87Å; A491-R507 PolarHBondContact O-N 2.96Å; R507-E513 WeakPolarHBondContact CA-O 3.28Å; R507-E514 HydrophobicContact CB-CG 3.88Å; R507-E514 VanDerWaalsContact CD-OE1 3.26Å; R507-E514 WeakPolarHBondContact CD-OE1 3.45Å; R507-E514 HydrophobicContact CG-CG 3.65Å; R507-E514 IonicContact CZ-OE1 2.65Å; R507-E514 IonicContact NE-OE1 3.66Å; R507-E514 PolarHBondContact NE-OE1 3.31Å; R507-E514 IonicContact NH1-OE1 3.44Å; R507-E514 PolarHBondContact NH1-OE1 3.21Å
508	D	95.3	Very high	94.6	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.027	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.6	165.4	-178.8	-65.5	0	0	0	108.8	L490 E510 S511 R512 E513 K533	L490-D508 HydrophobicContact CD2-CB 4.37Å; D508-E510 PolarHBondContact OD1-N 3.01Å; D508-S511 VanDerWaalsContact CB-OG 3.26Å; D508-S511 WeakPolarHBondContact CB-OG 3.29Å; D508-S511 WeakPolarHBondContact OD1-CB 3.41Å; D508-S511 PolarHBondContact OD1-N 2.8Å; D508-S511 PolarHBondContact OD1-OG 2.76Å; D508-R512 WeakPolarHBondContact O-CA 3.39Å; D508-R512 PolarHBondContact O-N 3.14Å; D508-E513 PolarHBondContact N-O 3.47Å; D508-K533 IonicContact OD2-NZ 3.52Å; D508-K533 PolarHBondContact OD2-NZ 3.2Å
509	I	94.7	Very high	94.7	Very high	18 Å²	18	68.5 Å²	68.5	9%	0.092	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-37.6	-170.4	-64.2	-64	0	0	0	111.7	L480 C483 E484 I488 P489 A491	L480-I509 HydrophobicContact CD2-CD1 3.79Å; C483-I509 HydrophobicContact CB-CD1 3.79Å; C483-I509 HydrophobicContact CB-CG1 3.81Å; C483-I509 HydrophobicContact CB-CG2 4.04Å; E484-I509 HydrophobicContact CG-CG2 3.82Å; I488-I509 WeakPolarHBondContact O-CB 3.43Å; I488-I509 WeakPolarHBondContact O-CG1 3.21Å; P489-I509 WeakPolarHBondContact O-CB 3.4Å; P489-I509 WeakPolarHBondContact O-CG1 3.36Å; P489-I509 PolarHBondContact O-N 3.4Å; A491-I509 HydrophobicContact CB-CD1 3.82Å
510	E	91.1	Very high	94.9	Very high	164 Å²	164	71.9 Å²	71.9	77%	0.766	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-53.3	-178.5	-175.4	176.5	-168.3	0	0	111.5	D508 R512	D508-E510 PolarHBondContact OD1-N 3.01Å; E510-R512 VanDerWaalsContact C-N 3.34Å
511	S	92.5	Very high	95	Very high	52 Å²	52	71.3 Å²	71.3	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.1	-179.1	62.5	0	0	0	0	113.6	D508 E513	D508-S511 VanDerWaalsContact CB-OG 3.26Å; D508-S511 WeakPolarHBondContact CB-OG 3.29Å; D508-S511 WeakPolarHBondContact OD1-CB 3.41Å; D508-S511 PolarHBondContact OD1-N 2.8Å; D508-S511 PolarHBondContact OD1-OG 2.76Å; S511-E513 PolarHBondContact O-N 3.37Å
512	R	93.4	Very high	95.1	Very high	155 Å²	155	65 Å²	65	59%	0.585	31%	0.313	S	S	*	.			trans	63.4	9.1	-175	-57.5	179.5	168.9	-177.3	-4.8	114.9	E484 D508 E510	E484-R512 IonicContact OE1-NH2 3.9Å; E484-R512 PolarHBondContact OE1-NH2 2.8Å; D508-R512 WeakPolarHBondContact O-CA 3.39Å; D508-R512 PolarHBondContact O-N 3.14Å; E510-R512 VanDerWaalsContact C-N 3.34Å
513	E	93.9	Very high	95.2	Very high	95 Å²	95	60.6 Å²	60.6	44%	0.444	29%	0.29	S	S	.	.			trans	-68.3	140.4	175.7	-66.2	-178.8	156.6	0	0	111.1	R507 D508 S511 Y515	R507-E513 WeakPolarHBondContact CA-O 3.28Å; D508-E513 PolarHBondContact N-O 3.47Å; S511-E513 PolarHBondContact O-N 3.37Å; E513-Y515 HydrophobicContact CB-CE2 3.87Å; E513-Y515 PolarHBondContact OE2-OH 3.49Å
514	E	94.5	Very high	95.2	Very high	86 Å²	86	65.2 Å²	65.2	40%	0.402	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135	178.5	-69.8	-172.7	176.9	0	0	110.6	L506 R507	L506-E514 WeakPolarHBondContact O-CA 3.29Å; R507-E514 HydrophobicContact CB-CG 3.88Å; R507-E514 VanDerWaalsContact CD-OE1 3.26Å; R507-E514 WeakPolarHBondContact CD-OE1 3.45Å; R507-E514 HydrophobicContact CG-CG 3.65Å; R507-E514 IonicContact CZ-OE1 2.65Å; R507-E514 IonicContact NE-OE1 3.66Å; R507-E514 PolarHBondContact NE-OE1 3.31Å; R507-E514 IonicContact NH1-OE1 3.44Å; R507-E514 PolarHBondContact NH1-OE1 3.21Å
515	Y	92.3	Very high	95.2	Very high	103 Å²	103	67.9 Å²	67.9	40%	0.404	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.7	178.9	-55.2	-89.5	0	0	0	109.3	K505 L506 E513	K505-Y515 CarbonylContact C-O 3.57Å; K505-Y515 WeakPolarHBondContact CA-O 3.06Å; L506-Y515 PolarHBondContact N-O 3.11Å; L506-Y515 PolarHBondContact O-N 2.82Å; E513-Y515 HydrophobicContact CB-CE2 3.87Å; E513-Y515 PolarHBondContact OE2-OH 3.49Å
516	E	95.6	Very high	95.1	Very high	95 Å²	95	64.9 Å²	64.9	44%	0.444	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.4	170.1	-166.3	173.2	134.7	0	0	109.4	R501 T503	R501-E516 IonicContact CZ-OE1 2.8Å; R501-E516 IonicContact CZ-OE2 2.95Å; R501-E516 IonicContact NH1-OE1 3.04Å; R501-E516 PolarHBondContact NH1-OE1 2.92Å; R501-E516 IonicContact NH1-OE2 3.57Å; R501-E516 PolarHBondContact NH1-OE2 3.32Å; R501-E516 IonicContact NH2-OE1 2.67Å; R501-E516 PolarHBondContact NH2-OE1 3.37Å; R501-E516 IonicContact NH2-OE2 3.41Å; R501-E516 PolarHBondContact NH2-OE2 3.42Å; T503-E516 HydrophobicContact CG2-CG 4.1Å; T503-E516 PolarHBondContact OG1-OE1 2.91Å
517	V	96.2	Very high	95	Very high	14 Å²	14	69.4 Å²	69.4	9%	0.085	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.7	-174.3	-171.8	0	0	0	0	108.8	T503 V504 L506 Y519 D521 K525	T503-V517 CarbonylContact C-O 3.6Å; T503-V517 WeakPolarHBondContact CA-O 3.36Å; V504-V517 PolarHBondContact N-O 2.84Å; V504-V517 PolarHBondContact O-N 2.85Å; L506-V517 HydrophobicContact CB-CG2 3.96Å; V517-Y519 PolarHBondContact O-N 2.8Å; V517-D521 HydrophobicContact CG1-CB 4.38Å; V517-K525 HydrophobicContact CG1-CB 3.86Å; V517-K525 HydrophobicContact CG1-CG 4.18Å; V517-K525 HydrophobicContact CG2-CB 4.48Å; V517-K525 HydrophobicContact CG2-CG 3.96Å
518	L	96.9	Very high	94.9	Very high	88 Å²	88	71.6 Å²	71.6	46%	0.461	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	134.2	169.8	-72	170.6	0	0	0	109.4	T503 T520 D521 L522	T503-L518 HydrophobicContact CG2-CD2 3.97Å; L518-T520 PolarHBondContact O-N 2.88Å; L518-T520 VanDerWaalsContact O-N 3.12Å; L518-D521 HydrophobicContact CB-CB 4.39Å; L518-D521 PolarHBondContact O-N 3.28Å; L518-L522 PolarHBondContact O-N 3.03Å
519	Y	95.4	Very high	94.7	Very high	56 Å²	56	72.4 Å²	72.4	22%	0.22	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.7	-176.5	-168.6	-101	0	0	0	112.2	C455 L458 N502 V504 V517 D521 L522	C455-Y519 WeakPolarHBondContact CA-OH 3.48Å; C455-Y519 HydrophobicContact CB-CE2 4.26Å; C455-Y519 WeakPolarHBondContact CB-OH 3.49Å; C455-Y519 PolarHBondContact N-OH 3.45Å; L458-Y519 HydrophobicContact CD2-CE1 3.93Å; N502-Y519 PolarHBondContact O-N 3.39Å; V504-Y519 HydrophobicContact CG1-CD2 3.56Å; V504-Y519 HydrophobicContact CG1-CE2 4.09Å; V504-Y519 HydrophobicContact CG2-CD2 4.39Å; V517-Y519 PolarHBondContact O-N 2.8Å; Y519-D521 VanDerWaalsContact C-N 3.31Å; Y519-D521 PolarHBondContact O-N 2.9Å; Y519-L522 HydrophobicContact CE2-CD2 4.42Å; Y519-L522 WeakPolarHBondContact O-CB 3.25Å
520	T	95.5	Very high	94.5	Very high	114 Å²	114	72 Å²	72	70%	0.699	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28	175.2	50.5	0	0	0	0	113.8	L518	L518-T520 PolarHBondContact O-N 2.88Å; L518-T520 VanDerWaalsContact O-N 3.12Å
521	D	96	Very high	94.4	Very high	75 Å²	75	67.4 Å²	67.4	40%	0.401	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-100.2	-2.4	-177.2	-62.7	-34.7	0	0	0	113	V517 L518 Y519 V523 N524 K525	V517-D521 HydrophobicContact CG1-CB 4.38Å; L518-D521 HydrophobicContact CB-CB 4.39Å; L518-D521 PolarHBondContact O-N 3.28Å; Y519-D521 VanDerWaalsContact C-N 3.31Å; Y519-D521 PolarHBondContact O-N 2.9Å; D521-V523 VanDerWaalsContact C-N 3.32Å; D521-V523 PolarHBondContact O-N 2.62Å; D521-N524 PolarHBondContact O-N 2.81Å; D521-N524 VanDerWaalsContact O-N 3.11Å; D521-K525 PolarHBondContact O-N 3.28Å
522	L	96.5	Very high	93.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-51.8	-47.4	-174.4	178.6	60.6	0	0	0	113	L459 V492 V504 L518 Y519 N524 K525 I526	L459-L522 HydrophobicContact CD2-CD2 4.32Å; L459-L522 HydrophobicContact CD2-CG 4.4Å; V492-L522 HydrophobicContact CG1-CD1 4.31Å; V492-L522 HydrophobicContact CG1-CD2 4.07Å; V492-L522 HydrophobicContact CG2-CD1 3.87Å; V492-L522 HydrophobicContact CG2-CD2 4.32Å; V504-L522 HydrophobicContact CG2-CD1 3.76Å; V504-L522 HydrophobicContact CG2-CD2 4.13Å; V504-L522 HydrophobicContact CG2-CG 4.37Å; L518-L522 PolarHBondContact O-N 3.03Å; Y519-L522 HydrophobicContact CE2-CD2 4.42Å; Y519-L522 WeakPolarHBondContact O-CB 3.25Å; L522-N524 PolarHBondContact O-N 3.47Å; L522-K525 PolarHBondContact O-N 3Å; L522-I526 HydrophobicContact CD1-CD1 3.75Å; L522-I526 HydrophobicContact CD1-CG1 4.18Å; L522-I526 HydrophobicContact CG-CD1 3.87Å; L522-I526 WeakPolarHBondContact O-CG1 3.34Å; L522-I526 PolarHBondContact O-N 2.99Å
523	V	97.1	Very high	93	Very high	23 Å²	23	66.8 Å²	66.8	14%	0.139	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-46.4	-179.4	170.6	0	0	0	0	111.1	L458 L459 A462 I464 D521 I526 K527	L458-V523 HydrophobicContact CD1-CG2 4.24Å; L458-V523 HydrophobicContact CD2-CG2 4.36Å; L458-V523 HydrophobicContact CG-CG2 3.97Å; L459-V523 HydrophobicContact CD2-CG2 4.38Å; A462-V523 HydrophobicContact CB-CB 4.35Å; A462-V523 HydrophobicContact CB-CG1 3.46Å; A462-V523 VanDerWaalsContact CB-CG1 3.46Å; A462-V523 HydrophobicContact CB-CG2 3.88Å; I464-V523 HydrophobicContact CD1-CB 4.43Å; I464-V523 HydrophobicContact CD1-CG1 4Å; D521-V523 VanDerWaalsContact C-N 3.32Å; D521-V523 PolarHBondContact O-N 2.62Å; V523-I526 PolarHBondContact O-N 3.42Å; V523-K527 HydrophobicContact CG1-CD 4.29Å; V523-K527 WeakPolarHBondContact O-CG 3.44Å; V523-K527 PolarHBondContact O-N 3.4Å; V523-K527 VanDerWaalsContact O-N 3.1Å
524	N	96.3	Very high	91.7	Very high	107 Å²	107	65.8 Å²	65.8	57%	0.572	33%	0.329	S	S	*	.	H	α-helix	trans	-65.1	-42.8	180	-69	-26.6	0	0	0	110.5	D521 L522 K527 E528	D521-N524 PolarHBondContact O-N 2.81Å; D521-N524 VanDerWaalsContact O-N 3.11Å; L522-N524 PolarHBondContact O-N 3.47Å; N524-K527 PolarHBondContact O-N 2.88Å; N524-E528 WeakPolarHBondContact O-CB 3.41Å; N524-E528 PolarHBondContact O-N 3.45Å
525	K	95.6	Very high	90	Very high	56 Å²	56	68 Å²	68	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-41.1	-180	-169.6	55.7	174.9	178.8	0	112.5	L506 V517 D521 L522 E528 V529	L506-K525 HydrophobicContact CD2-CG 3.91Å; V517-K525 HydrophobicContact CG1-CB 3.86Å; V517-K525 HydrophobicContact CG1-CG 4.18Å; V517-K525 HydrophobicContact CG2-CB 4.48Å; V517-K525 HydrophobicContact CG2-CG 3.96Å; D521-K525 PolarHBondContact O-N 3.28Å; L522-K525 PolarHBondContact O-N 3Å; K525-E528 VanDerWaalsContact CD-OE2 3.31Å; K525-E528 WeakPolarHBondContact CD-OE2 3.4Å; K525-E528 VanDerWaalsContact NZ-CD 3.28Å; K525-E528 IonicContact NZ-OE1 3.8Å; K525-E528 PolarHBondContact NZ-OE1 2.84Å; K525-E528 IonicContact NZ-OE2 3.46Å; K525-E528 PolarHBondContact NZ-OE2 3.34Å; K525-E528 VanDerWaalsContact NZ-OE2 3.11Å; K525-E528 PolarHBondContact O-N 2.91Å; K525-V529 HydrophobicContact CD-CG2 4.43Å; K525-V529 VanDerWaalsContact O-CG2 3.3Å; K525-V529 WeakPolarHBondContact O-CG2 3.5Å; K525-V529 PolarHBondContact O-N 2.98Å
526	I	95.8	Very high	87.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-46.3	175.2	-71.1	166.5	0	0	0	110.4	V439 L459 I464 L490 V492 L506 L522 V523 E528 V529 L530	V439-I526 HydrophobicContact CG2-CD1 4.26Å; L459-I526 HydrophobicContact CD1-CD1 4.48Å; L459-I526 HydrophobicContact CD2-CD1 3.48Å; L459-I526 VanDerWaalsContact CD2-CD1 3.48Å; I464-I526 HydrophobicContact CD1-CB 4.15Å; I464-I526 HydrophobicContact CD1-CG2 3.92Å; I464-I526 HydrophobicContact CG2-CG2 4.03Å; L490-I526 HydrophobicContact CD1-CG2 4.11Å; V492-I526 HydrophobicContact CG2-CD1 3.96Å; L506-I526 HydrophobicContact CD1-CD1 4.45Å; L506-I526 HydrophobicContact CD1-CG1 3.92Å; L506-I526 HydrophobicContact CD2-CG1 4.2Å; L522-I526 HydrophobicContact CD1-CD1 3.75Å; L522-I526 HydrophobicContact CD1-CG1 4.18Å; L522-I526 HydrophobicContact CG-CD1 3.87Å; L522-I526 WeakPolarHBondContact O-CG1 3.34Å; L522-I526 PolarHBondContact O-N 2.99Å; V523-I526 PolarHBondContact O-N 3.42Å; I526-E528 VanDerWaalsContact C-N 3.34Å; I526-E528 PolarHBondContact O-N 2.93Å; I526-V529 PolarHBondContact O-N 2.96Å; I526-L530 HydrophobicContact CG2-CD1 3.6Å; I526-L530 HydrophobicContact CG2-CG 4.12Å; I526-L530 WeakPolarHBondContact O-CB 3.29Å; I526-L530 VanDerWaalsContact O-CG 3.26Å; I526-L530 WeakPolarHBondContact O-CG 3.43Å; I526-L530 PolarHBondContact O-N 3.02Å
527	K	94.8	Very high	86.8	Confident	98 Å²	98	74.4 Å²	74.4	43%	0.426	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-40.8	178.2	-73.1	178.5	178.4	-179.5	0	112.7	A462 I464 V523 N524 S531	A462-K527 WeakPolarHBondContact O-CE 3.38Å; A462-K527 PolarHBondContact O-NZ 3.48Å; A462-K527 VanDerWaalsContact O-NZ 3.07Å; I464-K527 HydrophobicContact CD1-CG 4.31Å; V523-K527 HydrophobicContact CG1-CD 4.29Å; V523-K527 WeakPolarHBondContact O-CG 3.44Å; V523-K527 PolarHBondContact O-N 3.4Å; V523-K527 VanDerWaalsContact O-N 3.1Å; N524-K527 PolarHBondContact O-N 2.88Å; K527-S531 WeakPolarHBondContact O-CB 3.24Å; K527-S531 PolarHBondContact O-N 3.32Å; K527-S531 PolarHBondContact O-OG 2.97Å
528	E	93.9	Very high	86.3	Confident	100 Å²	100	77.5 Å²	77.5	47%	0.467	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-45.8	175.2	-175.3	-157.5	137.5	0	0	112.1	N524 K525 I526 S531 T532	N524-E528 WeakPolarHBondContact O-CB 3.41Å; N524-E528 PolarHBondContact O-N 3.45Å; K525-E528 VanDerWaalsContact CD-OE2 3.31Å; K525-E528 WeakPolarHBondContact CD-OE2 3.4Å; K525-E528 VanDerWaalsContact NZ-CD 3.28Å; K525-E528 IonicContact NZ-OE1 3.8Å; K525-E528 PolarHBondContact NZ-OE1 2.84Å; K525-E528 IonicContact NZ-OE2 3.46Å; K525-E528 PolarHBondContact NZ-OE2 3.34Å; K525-E528 VanDerWaalsContact NZ-OE2 3.11Å; K525-E528 PolarHBondContact O-N 2.91Å; I526-E528 VanDerWaalsContact C-N 3.34Å; I526-E528 PolarHBondContact O-N 2.93Å; E528-S531 PolarHBondContact O-OG 3.43Å; E528-T532 WeakPolarHBondContact O-CB 3.48Å; E528-T532 PolarHBondContact O-N 3Å; E528-T532 VanDerWaalsContact O-N 3.13Å; E528-T532 PolarHBondContact O-OG1 3.38Å
529	V	91.6	Very high	85.8	Confident	21 Å²	21	76.9 Å²	76.9	13%	0.127	38%	0.381	C	S	.	.	H	α-helix	trans	-67.7	-43.2	-179.8	175	0	0	0	0	110.9	L490 L506 K525 I526 T532 K533	L490-V529 HydrophobicContact CD1-CB 4.44Å; L490-V529 HydrophobicContact CD1-CG1 4.16Å; L490-V529 HydrophobicContact CD2-CG1 3.84Å; L506-V529 HydrophobicContact CD2-CG2 4.34Å; K525-V529 HydrophobicContact CD-CG2 4.43Å; K525-V529 VanDerWaalsContact O-CG2 3.3Å; K525-V529 WeakPolarHBondContact O-CG2 3.5Å; K525-V529 PolarHBondContact O-N 2.98Å; I526-V529 PolarHBondContact O-N 2.96Å; V529-T532 PolarHBondContact O-N 3.44Å; V529-K533 PolarHBondContact O-N 3.17Å
530	L	89.8	Confident	85.2	Confident	10 Å²	10	78.2 Å²	78.2	5%	0.052	39%	0.39	C	S	.	.	H	α-helix	trans	-63.4	-43.3	178.1	-69.1	174	0	0	0	112.1	E438 P489 L490 I526 T532 Y534 H535	E438-L530 HydrophobicContact CB-CD1 3.86Å; E438-L530 HydrophobicContact CB-CD2 4.16Å; E438-L530 HydrophobicContact CG-CD1 3.92Å; E438-L530 HydrophobicContact CG-CD2 4.28Å; P489-L530 HydrophobicContact CG-CD2 4.28Å; L490-L530 HydrophobicContact CD1-CD2 3.87Å; L490-L530 HydrophobicContact CD1-CG 4.05Å; I526-L530 HydrophobicContact CG2-CD1 3.6Å; I526-L530 HydrophobicContact CG2-CG 4.12Å; I526-L530 WeakPolarHBondContact O-CB 3.29Å; I526-L530 VanDerWaalsContact O-CG 3.26Å; I526-L530 WeakPolarHBondContact O-CG 3.43Å; I526-L530 PolarHBondContact O-N 3.02Å; L530-T532 PolarHBondContact O-N 3.26Å; L530-Y534 HydrophobicContact CD2-CD2 4.12Å; L530-Y534 WeakPolarHBondContact O-CA 3.25Å; L530-Y534 PolarHBondContact O-N 3.48Å; L530-H535 PolarHBondContact O-N 2.94Å
531	S	88.6	Confident	84.6	Confident	67 Å²	67	75.9 Å²	75.9	47%	0.469	37%	0.371	S	S	.	.	H	α-helix	trans	-66.8	-36.6	178.9	67.1	0	0	0	0	112.9	K527 E528	K527-S531 WeakPolarHBondContact O-CB 3.24Å; K527-S531 PolarHBondContact O-N 3.32Å; K527-S531 PolarHBondContact O-OG 2.97Å; E528-S531 PolarHBondContact O-OG 3.43Å
532	T	83	Confident	83.8	Confident	93 Å²	93	76 Å²	76	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-78.2	-39.4	-175.9	-52.1	0	0	0	0	112.7	E528 V529 L530	E528-T532 WeakPolarHBondContact O-CB 3.48Å; E528-T532 PolarHBondContact O-N 3Å; E528-T532 VanDerWaalsContact O-N 3.13Å; E528-T532 PolarHBondContact O-OG1 3.38Å; V529-T532 PolarHBondContact O-N 3.44Å; L530-T532 PolarHBondContact O-N 3.26Å
533	K	73.4	Confident	82.9	Confident	101 Å²	101	81.4 Å²	81.4	44%	0.439	40%	0.395	S	S	.	.	H	α-helix	trans	-100.5	-32.7	-173.4	-72.9	-168.2	-179.2	-174.2	0	114.6	D508 V529	D508-K533 IonicContact OD2-NZ 3.52Å; D508-K533 PolarHBondContact OD2-NZ 3.2Å; V529-K533 PolarHBondContact O-N 3.17Å
534	Y	67.5	Low	81.8	Confident	74 Å²	74	85.9 Å²	85.9	29%	0.29	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-5.7	-163.5	-62	-80	0	0	0	115.5	P489 L530	P489-Y534 HydrophobicContact CB-CD1 4.18Å; P489-Y534 HydrophobicContact CB-CD2 4.26Å; P489-Y534 HydrophobicContact CB-CE1 3.56Å; P489-Y534 HydrophobicContact CB-CE2 3.67Å; P489-Y534 HydrophobicContact CB-CG 4.49Å; P489-Y534 WeakPolarHBondContact CB-OH 3.46Å; P489-Y534 HydrophobicContact CG-CE1 4.49Å; P489-Y534 HydrophobicContact CG-CE2 4.47Å; L530-Y534 HydrophobicContact CD2-CD2 4.12Å; L530-Y534 WeakPolarHBondContact O-CA 3.25Å; L530-Y534 PolarHBondContact O-N 3.48Å
535	H	57.8	Low	80.6	Confident	132 Å²	132	84.2 Å²	84.2	61%	0.611	40%	0.401	S	S	*	.			trans	-116.4	34.5	-180	-72.6	-54.1	0	0	0	114.7	L530	L530-H535 PolarHBondContact O-N 2.94Å
536	K	35.2	Very low	79.2	Confident	258 Å²	258	86.7 Å²	86.7	100%	1.122	42%	0.416	S	S	*	.			trans	-86.1	0	159.1	-72.6	-174.5	-178.4	177.9	0	109.6

Retrieved 536 of 536 residues in 761.9 ms (Link to these results)

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