A0A087YIW0_POEFO Loading...

Ectonucleoside triphosphate diphosphohydrolase 3

AlphaFold DB , UniProt , Accession A0A087YIW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 506 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	43.6	Very low	244 Å²	244	169.6 Å²	169.6	100%	1.202	89%	0.888	S	S	*	*				0	96.8	0	-166.8	175.5	-173.2	0	0	107.5
2	L	43.6	Very low	44.5	Very low	164 Å²	164	172.2 Å²	172.2	86%	0.859	89%	0.886	S	S	*	*			trans	-171.9	117.1	170.3	-104.9	162.4	0	0	0	107.1
3	C	38.5	Very low	45.5	Very low	137 Å²	137	168.5 Å²	168.5	93%	0.926	87%	0.865	S	S	*	*			trans	-162.8	130.7	144	-102	0	0	0	0	109.9
4	Q	44.8	Very low	47.1	Very low	166 Å²	166	159.4 Å²	159.4	78%	0.776	83%	0.834	S	S	*	*			trans	-67.9	152.9	-178.4	-73.5	154.4	-74.4	0	0	112.7
5	Q	42.4	Very low	48.7	Very low	195 Å²	195	157.3 Å²	157.3	91%	0.911	81%	0.811	S	S	*	*			trans	-130.9	104.8	152.6	-111.9	179.7	-15.2	0	0	108.8
6	E	46.1	Very low	50.4	Low	178 Å²	178	156.6 Å²	156.6	83%	0.832	80%	0.8	S	S	*	*			trans	-73.4	122.3	165.1	-77.1	-177.6	143.7	0	0	109.3
7	M	42.7	Very low	51.9	Low	187 Å²	187	151.9 Å²	151.9	92%	0.921	78%	0.784	S	S	*	*			trans	-95.9	105	165.5	-81.5	-169.2	-82.7	0	0	109.4
8	G	42.4	Very low	53.4	Low	74 Å²	74	151.4 Å²	151.4	76%	0.763	77%	0.771	S	S	*	*			trans	-65.3	129.6	174.5	0	0	0	0	0	113	K10	G8-K10 PolarHBondContact O-N 3.4Å
9	S	42.8	Very low	55	Low	118 Å²	118	146.5 Å²	146.5	83%	0.825	75%	0.746	S	S	*	*			trans	-63.4	113.7	171.7	177.5	0	0	0	0	111.3	K11	S9-K11 PolarHBondContact O-N 2.94Å; S9-K11 VanDerWaalsContact O-N 3.09Å
10	K	48.3	Very low	56.3	Low	200 Å²	200	141.6 Å²	141.6	87%	0.87	73%	0.729	S	S	*	*			trans	-69.7	100.6	171.2	-79.2	-177.6	178.1	175.5	0	109.5	G8 K12	G8-K10 PolarHBondContact O-N 3.4Å; K10-K12 PolarHBondContact O-N 3.25Å
11	K	49.9	Very low	57.7	Low	203 Å²	203	136.4 Å²	136.4	88%	0.883	71%	0.71	S	S	*	*			trans	-52.7	112.1	166.5	-89.8	179	174	175.7	0	109.7	S9 M13	S9-K11 PolarHBondContact O-N 2.94Å; S9-K11 VanDerWaalsContact O-N 3.09Å; K11-M13 PolarHBondContact O-N 3Å; K11-M13 VanDerWaalsContact O-N 3.16Å
12	K	54.3	Low	60.1	Low	200 Å²	200	125.9 Å²	125.9	87%	0.87	66%	0.659	S	S	*	*			trans	-64.8	111.8	170.9	-86	-179.3	176.5	175.8	0	108.7	K10 G14	K10-K12 PolarHBondContact O-N 3.25Å; K12-G14 PolarHBondContact O-N 3.05Å
13	M	57.8	Low	62.1	Low	124 Å²	124	122.7 Å²	122.7	61%	0.611	64%	0.641	S	S	*	*			trans	-59.7	119	174.2	-167.3	153.3	71.6	0	0	109.9	K11 C17 R18	K11-M13 PolarHBondContact O-N 3Å; K11-M13 VanDerWaalsContact O-N 3.16Å; M13-C17 HydrophobicContact CG-CB 3.65Å; M13-C17 HydrophobicContact SD-CB 4.36Å; M13-R18 HydrophobicContact CE-CG 4.47Å
14	G	67.3	Low	64.6	Low	41 Å²	41	122.2 Å²	122.2	42%	0.423	63%	0.628	S	S	.	*			trans	-62.9	151.3	-175.6	0	0	0	0	0	113	K12 K16 C17 R18	K12-G14 PolarHBondContact O-N 3.05Å; G14-K16 PolarHBondContact O-N 3.07Å; G14-K16 VanDerWaalsContact O-N 3.14Å; G14-C17 WeakPolarHBondContact O-CB 3.43Å; G14-C17 PolarHBondContact O-N 3.22Å; G14-R18 PolarHBondContact O-N 3.46Å
15	Y	71.9	Confident	66.8	Low	128 Å²	128	119 Å²	119	50%	0.502	62%	0.616	S	S	.	*	H	α-helix	trans	-55.9	-33.2	-175.2	76	-88.5	0	0	0	113.3	C17 R18 I19 I504	Y15-C17 PolarHBondContact O-N 3.36Å; Y15-R18 PolarHBondContact O-N 3.27Å; Y15-I19 HydrophobicContact CD2-CD1 4.11Å; Y15-I19 PolarHBondContact O-N 2.9Å; Y15-I504 HydrophobicContact CD2-CD1 3.87Å
16	K	75.2	Confident	69.1	Low	146 Å²	146	111.4 Å²	111.4	64%	0.635	58%	0.581	S	S	*	*	H	α-helix	trans	-61.2	-40.2	174.5	-64.2	-172.3	178	-176	0	112.7	G14 R18 A20	G14-K16 PolarHBondContact O-N 3.07Å; G14-K16 VanDerWaalsContact O-N 3.14Å; K16-R18 VanDerWaalsContact C-N 3.32Å; K16-R18 PolarHBondContact O-N 3.39Å; K16-A20 WeakPolarHBondContact O-CB 3.48Å; K16-A20 PolarHBondContact O-N 2.93Å
17	C	75.5	Confident	71.3	Confident	78 Å²	78	107.9 Å²	107.9	53%	0.527	57%	0.567	S	S	.	*	H	α-helix	trans	-67.9	-32.7	175.6	-69.3	0	0	0	0	112.1	M13 G14 Y15 G21	M13-C17 HydrophobicContact CG-CB 3.65Å; M13-C17 HydrophobicContact SD-CB 4.36Å; G14-C17 WeakPolarHBondContact O-CB 3.43Å; G14-C17 PolarHBondContact O-N 3.22Å; Y15-C17 PolarHBondContact O-N 3.36Å; C17-G21 PolarHBondContact O-N 3.2Å
18	R	79.9	Confident	73.7	Confident	143 Å²	143	100.8 Å²	100.8	54%	0.54	54%	0.543	S	S	.	.	H	α-helix	trans	-70.1	-44.3	177.2	-65.5	-177.8	178.9	-174	-4.4	111.8	M13 G14 Y15 K16 G21 V22	M13-R18 HydrophobicContact CE-CG 4.47Å; G14-R18 PolarHBondContact O-N 3.46Å; Y15-R18 PolarHBondContact O-N 3.27Å; K16-R18 VanDerWaalsContact C-N 3.32Å; K16-R18 PolarHBondContact O-N 3.39Å; R18-G21 PolarHBondContact O-N 3.01Å; R18-V22 WeakPolarHBondContact O-CG2 3.47Å; R18-V22 PolarHBondContact O-N 3.14Å
19	I	82.6	Confident	76.1	Confident	57 Å²	57	97.6 Å²	97.6	29%	0.292	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-46.8	174.6	-68.2	165.5	0	0	0	110.5	Y15 G21 V22 M23 I500 I504	Y15-I19 HydrophobicContact CD2-CD1 4.11Å; Y15-I19 PolarHBondContact O-N 2.9Å; I19-G21 VanDerWaalsContact C-N 3.29Å; I19-G21 PolarHBondContact O-N 3.49Å; I19-V22 PolarHBondContact O-N 3.17Å; I19-M23 HydrophobicContact CG2-CG 4.14Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 3.47Å; I19-I500 HydrophobicContact CD1-CG2 4.42Å; I19-I500 HydrophobicContact CG1-CG2 3.77Å; I19-I504 HydrophobicContact CD1-CD1 3.44Å; I19-I504 VanDerWaalsContact CD1-CD1 3.44Å; I19-I504 HydrophobicContact CG1-CD1 4.21Å
20	A	82.8	Confident	78.5	Confident	49 Å²	49	95.4 Å²	95.4	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-58	-42.5	178.4	0	0	0	0	0	111.7	K16 M23 L24	K16-A20 WeakPolarHBondContact O-CB 3.48Å; K16-A20 PolarHBondContact O-N 2.93Å; A20-M23 PolarHBondContact O-N 2.95Å; A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 PolarHBondContact O-N 3.32Å
21	G	85	Confident	80.6	Confident	32 Å²	32	88.2 Å²	88.2	33%	0.33	46%	0.464	S	S	.	.	H	α-helix	trans	-62.2	-44	175.3	0	0	0	0	0	113.7	C17 R18 I19 L24 L25	C17-G21 PolarHBondContact O-N 3.2Å; R18-G21 PolarHBondContact O-N 3.01Å; I19-G21 VanDerWaalsContact C-N 3.29Å; I19-G21 PolarHBondContact O-N 3.49Å; G21-L24 PolarHBondContact O-N 3.45Å; G21-L25 WeakPolarHBondContact O-CG 3.36Å; G21-L25 PolarHBondContact O-N 3.33Å
22	V	88.3	Confident	82.7	Confident	23 Å²	23	79.8 Å²	79.8	14%	0.139	43%	0.433	C	S	.	.	H	α-helix	trans	-66.8	-42	178	174.1	0	0	0	0	111.5	R18 I19 L25 L26 T493 I500	R18-V22 WeakPolarHBondContact O-CG2 3.47Å; R18-V22 PolarHBondContact O-N 3.14Å; I19-V22 PolarHBondContact O-N 3.17Å; V22-L25 PolarHBondContact O-N 3.03Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 PolarHBondContact O-N 2.9Å; V22-T493 WeakPolarHBondContact CG1-O 3.39Å; V22-I500 HydrophobicContact CG2-CD1 3.92Å
23	M	86.4	Confident	84.6	Confident	98 Å²	98	72.3 Å²	72.3	48%	0.483	40%	0.402	S	S	.	.	H	α-helix	trans	-66.3	-40.4	177.3	-69.8	-63.6	-77.9	0	0	112	I19 A20 L26 I27	I19-M23 HydrophobicContact CG2-CG 4.14Å; I19-M23 WeakPolarHBondContact O-CG 3.47Å; I19-M23 PolarHBondContact O-N 3.47Å; A20-M23 PolarHBondContact O-N 2.95Å; M23-L26 PolarHBondContact O-N 3.21Å; M23-L26 HydrophobicContact SD-CD2 4.43Å; M23-I27 WeakPolarHBondContact O-CB 3.48Å; M23-I27 VanDerWaalsContact O-CG1 3.26Å; M23-I27 WeakPolarHBondContact O-CG1 3.4Å; M23-I27 PolarHBondContact O-N 2.88Å
24	L	90	Very high	86.3	Confident	126 Å²	126	70.8 Å²	70.8	66%	0.66	40%	0.396	S	S	*	.	H	α-helix	trans	-61.2	-43.1	173.8	-91.2	158.8	0	0	0	111.9	A20 G21 G28	A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 PolarHBondContact O-N 3.32Å; G21-L24 PolarHBondContact O-N 3.45Å; L24-G28 PolarHBondContact O-N 3.4Å
25	L	90.8	Very high	87.5	Confident	99 Å²	99	73 Å²	73	52%	0.518	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-40.6	176.2	-75.9	170.9	0	0	0	112.1	G21 V22 G28 S29 T493	G21-L25 WeakPolarHBondContact O-CG 3.36Å; G21-L25 PolarHBondContact O-N 3.33Å; V22-L25 PolarHBondContact O-N 3.03Å; L25-G28 PolarHBondContact O-N 3.25Å; L25-S29 WeakPolarHBondContact O-CB 3.24Å; L25-S29 PolarHBondContact O-N 2.84Å; L25-S29 PolarHBondContact O-OG 2.96Å; L25-T493 HydrophobicContact CB-CG2 4.06Å
26	L	91.5	Very high	88.5	Confident	35 Å²	35	67.8 Å²	67.8	18%	0.183	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-51.4	176.5	-178.6	66.5	0	0	0	111	V22 M23 G28 S29 I30 I490 T493	V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 PolarHBondContact O-N 2.9Å; M23-L26 PolarHBondContact O-N 3.21Å; M23-L26 HydrophobicContact SD-CD2 4.43Å; L26-G28 VanDerWaalsContact C-N 3.35Å; L26-G28 PolarHBondContact O-N 3.48Å; L26-S29 PolarHBondContact O-N 3.33Å; L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CG-CD1 4.08Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.49Å; L26-I490 HydrophobicContact CD1-CB 4.36Å; L26-I490 HydrophobicContact CD1-CG2 3.85Å; L26-T493 WeakPolarHBondContact CD1-OG1 3.48Å
27	I	91.5	Very high	89.2	Confident	104 Å²	104	62.7 Å²	62.7	53%	0.533	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-44.1	178.4	-66.4	166.5	0	0	0	110.5	M23 S29 I30 A31	M23-I27 WeakPolarHBondContact O-CB 3.48Å; M23-I27 VanDerWaalsContact O-CG1 3.26Å; M23-I27 WeakPolarHBondContact O-CG1 3.4Å; M23-I27 PolarHBondContact O-N 2.88Å; I27-S29 VanDerWaalsContact C-N 3.32Å; I27-S29 PolarHBondContact O-N 2.91Å; I27-I30 PolarHBondContact O-N 2.9Å; I27-A31 WeakPolarHBondContact O-CB 3.26Å; I27-A31 PolarHBondContact O-N 3.49Å
28	G	93.3	Very high	89.9	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-38.9	177.1	0	0	0	0	0	112.9	L24 L25 L26 A32	L24-G28 PolarHBondContact O-N 3.4Å; L25-G28 PolarHBondContact O-N 3.25Å; L26-G28 VanDerWaalsContact C-N 3.35Å; L26-G28 PolarHBondContact O-N 3.48Å; G28-A32 VanDerWaalsContact O-CB 3.3Å; G28-A32 WeakPolarHBondContact O-CB 3.46Å; G28-A32 PolarHBondContact O-N 3.19Å
29	S	93.2	Very high	90.4	Very high	6 Å²	6	58 Å²	58	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-71.1	-39.9	178.1	-55.3	0	0	0	0	112.4	L25 L26 I27 A32 L33 L489	L25-S29 WeakPolarHBondContact O-CB 3.24Å; L25-S29 PolarHBondContact O-N 2.84Å; L25-S29 PolarHBondContact O-OG 2.96Å; L26-S29 PolarHBondContact O-N 3.33Å; I27-S29 VanDerWaalsContact C-N 3.32Å; I27-S29 PolarHBondContact O-N 2.91Å; S29-A32 PolarHBondContact O-N 3.06Å; S29-L33 WeakPolarHBondContact O-CB 3.42Å; S29-L33 PolarHBondContact O-N 3.37Å; S29-L489 WeakPolarHBondContact OG-CD2 3.38Å
30	I	92.7	Very high	90.7	Very high	72 Å²	72	55.9 Å²	55.9	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-47.2	173.7	-67.4	167.1	0	0	0	109.9	L26 I27 A32 L33 I34 I490	L26-I30 HydrophobicContact CD1-CD1 4.25Å; L26-I30 HydrophobicContact CG-CD1 4.08Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.49Å; I27-I30 PolarHBondContact O-N 2.9Å; I30-A32 PolarHBondContact O-N 2.92Å; I30-L33 PolarHBondContact O-N 3.02Å; I30-I34 HydrophobicContact CG2-CD1 3.83Å; I30-I34 HydrophobicContact CG2-CG1 4.48Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 3.25Å; I30-I34 PolarHBondContact O-N 3.09Å; I30-I490 HydrophobicContact CG1-CD1 3.77Å; I30-I490 HydrophobicContact CG1-CG1 4Å
31	A	93.3	Very high	90.8	Very high	49 Å²	49	57.6 Å²	57.6	41%	0.405	34%	0.343	S	S	.	.	H	α-helix	trans	-60.1	-45	177.4	0	0	0	0	0	111.5	I27 L33 I34 V35	I27-A31 WeakPolarHBondContact O-CB 3.26Å; I27-A31 PolarHBondContact O-N 3.49Å; A31-L33 PolarHBondContact O-N 3.34Å; A31-I34 PolarHBondContact O-N 3.29Å; A31-V35 WeakPolarHBondContact O-CB 3.47Å; A31-V35 VanDerWaalsContact O-CG2 3.23Å; A31-V35 WeakPolarHBondContact O-CG2 3.33Å; A31-V35 PolarHBondContact O-N 2.95Å
32	A	93.2	Very high	90.8	Very high	27 Å²	27	63.2 Å²	63.2	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-42.6	176.6	0	0	0	0	0	112.2	G28 S29 I30 V35 V36 F486	G28-A32 VanDerWaalsContact O-CB 3.3Å; G28-A32 WeakPolarHBondContact O-CB 3.46Å; G28-A32 PolarHBondContact O-N 3.19Å; S29-A32 PolarHBondContact O-N 3.06Å; I30-A32 PolarHBondContact O-N 2.92Å; A32-V35 PolarHBondContact O-N 3.37Å; A32-V36 WeakPolarHBondContact O-CB 3.29Å; A32-V36 VanDerWaalsContact O-CG2 3.27Å; A32-V36 WeakPolarHBondContact O-CG2 3.4Å; A32-V36 PolarHBondContact O-N 3.35Å; A32-F486 HydrophobicContact CB-CD1 3.91Å; A32-F486 HydrophobicContact CB-CD2 4.28Å; A32-F486 HydrophobicContact CB-CE1 3.66Å; A32-F486 HydrophobicContact CB-CE2 4.06Å; A32-F486 HydrophobicContact CB-CG 4.23Å; A32-F486 HydrophobicContact CB-CZ 3.75Å
33	L	94.7	Very high	90.6	Very high	42 Å²	42	67.2 Å²	67.2	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-63	-44.2	177	-175.1	130	0	0	0	111.8	S29 I30 A31 V36 A37 I483 F486 S487 I490	S29-L33 WeakPolarHBondContact O-CB 3.42Å; S29-L33 PolarHBondContact O-N 3.37Å; I30-L33 PolarHBondContact O-N 3.02Å; A31-L33 PolarHBondContact O-N 3.34Å; L33-V36 PolarHBondContact O-N 3.16Å; L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.06Å; L33-I483 HydrophobicContact CD1-CD1 4.49Å; L33-I483 HydrophobicContact CG-CD1 4.31Å; L33-F486 HydrophobicContact CB-CB 4.02Å; L33-F486 HydrophobicContact CD1-CB 3.99Å; L33-S487 WeakPolarHBondContact CD1-OG 3.33Å; L33-I490 HydrophobicContact CD1-CD1 4.33Å
34	I	92.8	Very high	90.3	Very high	93 Å²	93	66.7 Å²	66.7	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-46.8	174.9	-67.5	168.6	0	0	0	110.2	I30 A31 V36 A37 V38	I30-I34 HydrophobicContact CG2-CD1 3.83Å; I30-I34 HydrophobicContact CG2-CG1 4.48Å; I30-I34 VanDerWaalsContact O-CG1 3.32Å; I30-I34 WeakPolarHBondContact O-CG1 3.25Å; I30-I34 PolarHBondContact O-N 3.09Å; A31-I34 PolarHBondContact O-N 3.29Å; I34-V36 PolarHBondContact O-N 2.7Å; I34-A37 PolarHBondContact O-N 3.08Å; I34-V38 HydrophobicContact CG2-CG2 4Å; I34-V38 WeakPolarHBondContact O-CB 3.32Å; I34-V38 VanDerWaalsContact O-CG2 3.23Å; I34-V38 WeakPolarHBondContact O-CG2 3.44Å; I34-V38 PolarHBondContact O-N 3.42Å
35	V	93.4	Very high	89.8	Confident	87 Å²	87	65.2 Å²	65.2	53%	0.527	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-46.7	178.9	168.4	0	0	0	0	111	A31 A32 A37 V38 V39	A31-V35 WeakPolarHBondContact O-CB 3.47Å; A31-V35 VanDerWaalsContact O-CG2 3.23Å; A31-V35 WeakPolarHBondContact O-CG2 3.33Å; A31-V35 PolarHBondContact O-N 2.95Å; A32-V35 PolarHBondContact O-N 3.37Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 2.88Å; V35-V38 PolarHBondContact O-N 3.47Å; V35-V39 HydrophobicContact CG1-CG2 4.09Å; V35-V39 VanDerWaalsContact O-CB 3.23Å; V35-V39 WeakPolarHBondContact O-CB 3.48Å; V35-V39 WeakPolarHBondContact O-CG2 3.26Å; V35-V39 PolarHBondContact O-N 3.48Å
36	V	92.8	Very high	89.2	Confident	18 Å²	18	66.2 Å²	66.2	11%	0.109	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-44.9	177.8	166.7	0	0	0	0	111.1	A32 L33 I34 Q40 M474 F479 L482 I483 F486	A32-V36 WeakPolarHBondContact O-CB 3.29Å; A32-V36 VanDerWaalsContact O-CG2 3.27Å; A32-V36 WeakPolarHBondContact O-CG2 3.4Å; A32-V36 PolarHBondContact O-N 3.35Å; L33-V36 PolarHBondContact O-N 3.16Å; I34-V36 PolarHBondContact O-N 2.7Å; V36-Q40 VanDerWaalsContact O-CB 3.27Å; V36-Q40 WeakPolarHBondContact O-CB 3.32Å; V36-Q40 PolarHBondContact O-N 3.47Å; V36-M474 HydrophobicContact CG1-CE 3.97Å; V36-M474 HydrophobicContact CG1-SD 4.42Å; V36-F479 HydrophobicContact CG1-CD2 3.8Å; V36-F479 HydrophobicContact CG1-CE2 3.81Å; V36-L482 HydrophobicContact CG1-CB 4.1Å; V36-L482 HydrophobicContact CG1-CD1 4.44Å; V36-L482 HydrophobicContact CG2-CD1 4.39Å; V36-I483 HydrophobicContact CG1-CD1 4.12Å; V36-F486 HydrophobicContact CG2-CD2 4.45Å; V36-F486 HydrophobicContact CG2-CE2 4.06Å
37	A	90.3	Very high	88.6	Confident	39 Å²	39	70.9 Å²	70.9	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-45.9	177.6	0	0	0	0	0	112.5	L33 I34 V35 Q40 D41	L33-A37 WeakPolarHBondContact O-CB 3.48Å; L33-A37 PolarHBondContact O-N 3.06Å; I34-A37 PolarHBondContact O-N 3.08Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 2.88Å; A37-Q40 PolarHBondContact O-N 2.88Å; A37-D41 WeakPolarHBondContact O-CB 3.4Å; A37-D41 PolarHBondContact O-N 3.36Å
38	V	90.1	Very high	88.2	Confident	76 Å²	76	69 Å²	69	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-43.2	179.4	170.6	0	0	0	0	111	I34 V35 D41 K42	I34-V38 HydrophobicContact CG2-CG2 4Å; I34-V38 WeakPolarHBondContact O-CB 3.32Å; I34-V38 VanDerWaalsContact O-CG2 3.23Å; I34-V38 WeakPolarHBondContact O-CG2 3.44Å; I34-V38 PolarHBondContact O-N 3.42Å; V35-V38 PolarHBondContact O-N 3.47Å; V38-D41 PolarHBondContact O-N 2.99Å; V38-K42 HydrophobicContact CG1-CB 4.46Å; V38-K42 HydrophobicContact CG1-CG 3.96Å; V38-K42 WeakPolarHBondContact O-CB 3.3Å; V38-K42 WeakPolarHBondContact O-CG 3.33Å; V38-K42 PolarHBondContact O-N 3.25Å
39	V	89.3	Confident	87.8	Confident	46 Å²	46	68.8 Å²	68.8	28%	0.279	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.5	162.3	0	0	0	0	110.2	V35 D41 L43 P473 M474	V35-V39 HydrophobicContact CG1-CG2 4.09Å; V35-V39 VanDerWaalsContact O-CB 3.23Å; V35-V39 WeakPolarHBondContact O-CB 3.48Å; V35-V39 WeakPolarHBondContact O-CG2 3.26Å; V35-V39 PolarHBondContact O-N 3.48Å; V39-D41 VanDerWaalsContact C-N 3.28Å; V39-D41 PolarHBondContact O-N 3.42Å; V39-L43 HydrophobicContact CB-CD1 4.45Å; V39-L43 HydrophobicContact CG1-CD1 4.12Å; V39-L43 HydrophobicContact CG2-CD1 4.18Å; V39-L43 WeakPolarHBondContact O-CB 3.21Å; V39-L43 PolarHBondContact O-N 2.9Å; V39-P473 HydrophobicContact CG1-CB 4.08Å; V39-P473 HydrophobicContact CG1-CG 4.04Å; V39-P473 WeakPolarHBondContact O-CG 3.33Å; V39-M474 HydrophobicContact CG1-CE 4.33Å
40	Q	89.2	Confident	87.8	Confident	14 Å²	14	72.7 Å²	72.7	7%	0.065	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-35.8	-179.4	-170.8	71.1	-8.7	0	0	112.7	V36 A37 T472 M474 F479	V36-Q40 VanDerWaalsContact O-CB 3.27Å; V36-Q40 WeakPolarHBondContact O-CB 3.32Å; V36-Q40 PolarHBondContact O-N 3.47Å; A37-Q40 PolarHBondContact O-N 2.88Å; Q40-T472 VanDerWaalsContact NE2-CB 3.25Å; Q40-T472 PolarHBondContact NE2-OG1 2.91Å; Q40-M474 HydrophobicContact CB-CE 3.91Å; Q40-M474 HydrophobicContact CG-CE 4.48Å; Q40-M474 PolarHBondContact NE2-O 2.87Å; Q40-M474 VanDerWaalsContact OE1-CE 3.28Å; Q40-M474 VanDerWaalsContact OE1-N 3.1Å; Q40-F479 HydrophobicContact CB-CD2 3.76Å; Q40-F479 HydrophobicContact CB-CE2 3.53Å; Q40-F479 HydrophobicContact CB-CZ 4.19Å; Q40-F479 HydrophobicContact CG-CD1 4.27Å; Q40-F479 HydrophobicContact CG-CD2 3.58Å; Q40-F479 HydrophobicContact CG-CE1 4.32Å; Q40-F479 HydrophobicContact CG-CE2 3.63Å; Q40-F479 HydrophobicContact CG-CG 3.91Å; Q40-F479 HydrophobicContact CG-CZ 4.02Å
41	D	85.6	Confident	87.9	Confident	84 Å²	84	69.8 Å²	69.8	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-83	-47.3	-179.9	-174.2	58.9	0	0	0	113.2	A37 V38 V39 K44	A37-D41 WeakPolarHBondContact O-CB 3.4Å; A37-D41 PolarHBondContact O-N 3.36Å; V38-D41 PolarHBondContact O-N 2.99Å; V39-D41 VanDerWaalsContact C-N 3.28Å; V39-D41 PolarHBondContact O-N 3.42Å; D41-K44 IonicContact OD1-NZ 3.52Å
42	K	85.1	Confident	88	Confident	151 Å²	151	68 Å²	68	66%	0.657	36%	0.361	S	S	*	.	H	α-helix	trans	-88	-24.2	-169.6	-61.4	-60.9	-179.3	-165.1	0	114.4	V38	V38-K42 HydrophobicContact CG1-CB 4.46Å; V38-K42 HydrophobicContact CG1-CG 3.96Å; V38-K42 WeakPolarHBondContact O-CB 3.3Å; V38-K42 WeakPolarHBondContact O-CG 3.33Å; V38-K42 PolarHBondContact O-N 3.25Å
43	L	82.8	Confident	88.2	Confident	106 Å²	106	66.7 Å²	66.7	56%	0.555	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	26.5	-178.3	-60.4	-178.7	0	0	0	112.9	V39 V45 P473	V39-L43 HydrophobicContact CB-CD1 4.45Å; V39-L43 HydrophobicContact CG1-CD1 4.12Å; V39-L43 HydrophobicContact CG2-CD1 4.18Å; V39-L43 WeakPolarHBondContact O-CB 3.21Å; V39-L43 PolarHBondContact O-N 2.9Å; L43-V45 PolarHBondContact O-N 3.47Å; L43-P473 HydrophobicContact CB-CG 3.78Å; L43-P473 WeakPolarHBondContact O-CG 3.48Å
44	K	81.1	Confident	88.4	Confident	87 Å²	87	64.7 Å²	64.7	38%	0.378	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-60.7	127.3	170.5	-66.5	177.2	-172.3	168.6	0	109.6	D41 I471 T472	D41-K44 IonicContact OD1-NZ 3.52Å; K44-I471 WeakPolarHBondContact CA-O 3.43Å; K44-T472 HydrophobicContact CG-CG2 4.13Å
45	V	78.8	Confident	88.6	Confident	96 Å²	96	60.2 Å²	60.2	58%	0.582	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.4	176.8	-177.6	0	0	0	0	108.4	L43 I471	L43-V45 PolarHBondContact O-N 3.47Å; V45-I471 PolarHBondContact N-O 2.84Å; V45-I471 PolarHBondContact O-N 3.5Å
46	K	77.8	Confident	88.9	Confident	119 Å²	119	56.1 Å²	56.1	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122	172.2	-69	-177.7	179.2	-179.1	0	108.7	Y48 V468	K46-Y48 HydrophobicContact CB-CD2 4.36Å; K46-Y48 HydrophobicContact CB-CE2 3.6Å; K46-Y48 WeakPolarHBondContact CD-OH 3.33Å; K46-V468 HydrophobicContact CB-CG1 3.74Å; K46-V468 HydrophobicContact CD-CG1 3.89Å; K46-V468 HydrophobicContact CG-CG1 3.69Å
47	K	80.1	Confident	89.1	Confident	133 Å²	133	56.6 Å²	56.6	58%	0.578	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	123.4	169.4	-173.1	178.7	-174.8	-178.3	0	108.9	K469 I471	K47-K469 PolarHBondContact N-O 3.2Å; K47-K469 PolarHBondContact O-N 2.87Å; K47-I471 HydrophobicContact CB-CD1 3.5Å; K47-I471 HydrophobicContact CB-CG1 4.03Å; K47-I471 HydrophobicContact CD-CD1 3.51Å; K47-I471 HydrophobicContact CG-CD1 4.12Å
48	Y	82.6	Confident	89.4	Confident	65 Å²	65	54.8 Å²	54.8	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140	177.2	-62.3	-94.3	0	0	0	110	K46 G72 E73 V468	K46-Y48 HydrophobicContact CB-CD2 4.36Å; K46-Y48 HydrophobicContact CB-CE2 3.6Å; K46-Y48 WeakPolarHBondContact CD-OH 3.33Å; Y48-G72 VanDerWaalsContact CD1-C 3.48Å; Y48-E73 VanDerWaalsContact CB-N 3.34Å; Y48-E73 HydrophobicContact CD1-CB 4.19Å; Y48-E73 HydrophobicContact CD2-CB 3.6Å; Y48-E73 HydrophobicContact CD2-CG 4.03Å; Y48-E73 HydrophobicContact CE2-CB 4.07Å; Y48-E73 HydrophobicContact CE2-CG 4.01Å; Y48-E73 HydrophobicContact CG-CB 3.69Å; Y48-V468 HydrophobicContact CD1-CG2 3.75Å; Y48-V468 HydrophobicContact CE1-CB 4.33Å; Y48-V468 HydrophobicContact CE1-CG1 4.33Å; Y48-V468 HydrophobicContact CE1-CG2 3.26Å
49	G	85.9	Confident	89.6	Confident	35 Å²	35	51.8 Å²	51.8	36%	0.361	26%	0.263	S	S	.	.			trans	-82.3	177.7	169.9	0	0	0	0	0	111.8	G72	G49-G72 WeakPolarHBondContact O-CA 3.3Å; G49-G72 PolarHBondContact O-N 2.95Å
50	L	92.1	Very high	89.5	Confident	88 Å²	88	51 Å²	51	46%	0.461	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.7	162.7	-73.7	170.1	0	0	0	109.1	F52 K126	L50-F52 HydrophobicContact CB-CE2 4.19Å; L50-F52 HydrophobicContact CB-CZ 4.28Å; L50-K126 WeakPolarHBondContact O-CE 3.32Å
51	E	94.6	Very high	89.4	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.3	170.2	-58.6	-54.8	154.2	0	0	109.8	E69 W70 K126 E467	E51-E69 CarbonylContact O-C 3.51Å; E51-E69 WeakPolarHBondContact O-CA 3.24Å; E51-W70 HydrophobicContact CB-CD2 4.13Å; E51-W70 HydrophobicContact CB-CG 4.5Å; E51-W70 HydrophobicContact CB-CH2 4.46Å; E51-W70 HydrophobicContact CB-CZ2 3.77Å; E51-W70 PolarHBondContact N-O 3.3Å; E51-W70 PolarHBondContact O-N 3.48Å; E51-K126 IonicContact OE1-NZ 2.94Å; E51-K126 PolarHBondContact OE1-NZ 2.91Å; E51-K126 IonicContact OE2-NZ 3.81Å; E51-K126 PolarHBondContact OE2-NZ 2.68Å; E51-E467 WeakPolarHBondContact OE1-CB 3.39Å; E51-E467 PolarHBondContact OE1-N 2.97Å
52	F	96.2	Very high	89.6	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.4	-176.3	-62.6	-89.4	0	0	0	110	L50 L67 Y68 E69 W70 I122 P123 K126 T130 P131	L50-F52 HydrophobicContact CB-CE2 4.19Å; L50-F52 HydrophobicContact CB-CZ 4.28Å; F52-L67 HydrophobicContact CB-CD1 4.27Å; F52-L67 HydrophobicContact CD1-CD1 4.22Å; F52-Y68 CarbonylContact C-O 3.59Å; F52-Y68 VanDerWaalsContact CA-O 3.28Å; F52-Y68 WeakPolarHBondContact CA-O 3.34Å; F52-E69 HydrophobicContact CD1-CB 3.78Å; F52-E69 HydrophobicContact CE1-CB 3.82Å; F52-W70 VanDerWaalsContact C-CZ3 3.49Å; F52-W70 VanDerWaalsContact O-CH2 3.25Å; F52-W70 WeakPolarHBondContact O-CH2 3.27Å; F52-I122 HydrophobicContact CB-CG2 4.45Å; F52-I122 HydrophobicContact CD1-CG1 4.29Å; F52-I122 HydrophobicContact CD1-CG2 4.49Å; F52-I122 HydrophobicContact CD2-CG2 3.99Å; F52-I122 HydrophobicContact CE2-CG2 4.4Å; F52-I122 HydrophobicContact CG-CG1 4.46Å; F52-I122 HydrophobicContact CG-CG2 4.04Å; F52-P123 HydrophobicContact CE2-CG 4.16Å; F52-P123 HydrophobicContact CZ-CG 4.24Å; F52-K126 HydrophobicContact CD2-CB 4.07Å; F52-K126 HydrophobicContact CD2-CG 4.15Å; F52-K126 HydrophobicContact CE2-CB 4.36Å; F52-K126 HydrophobicContact CE2-CG 4.14Å; F52-T130 HydrophobicContact CB-CG2 3.84Å; F52-P131 VanDerWaalsContact O-CD 3.23Å; F52-P131 WeakPolarHBondContact O-CD 3.38Å
53	G	97.1	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	144.2	172.1	0	0	0	0	0	111.8	Y68	G53-Y68 PolarHBondContact N-O 3.35Å; G53-Y68 PolarHBondContact O-N 3.03Å
54	I	98.3	Very high	90.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.1	-178.2	-56.7	168.2	0	0	0	109.7	V65 Y66 L67 M115 I118 I122 T130 P131 L132 F133 F167	I54-V65 HydrophobicContact CG2-CG1 3.66Å; I54-Y66 VanDerWaalsContact CA-O 3.29Å; I54-Y66 WeakPolarHBondContact CA-O 3.32Å; I54-L67 HydrophobicContact CG1-CD1 3.96Å; I54-M115 HydrophobicContact CD1-CE 4.21Å; I54-I118 HydrophobicContact CD1-CG2 3.91Å; I54-I118 HydrophobicContact CG1-CG2 4.12Å; I54-I122 HydrophobicContact CD1-CD1 4.08Å; I54-T130 HydrophobicContact CD1-CG2 4Å; I54-T130 HydrophobicContact CG1-CG2 3.89Å; I54-P131 PolarHBondContact N-O 2.75Å; I54-L132 HydrophobicContact CB-CD1 3.8Å; I54-L132 HydrophobicContact CG2-CD1 3.49Å; I54-L132 VanDerWaalsContact CG2-CD1 3.49Å; I54-F133 PolarHBondContact O-N 2.75Å; I54-F167 HydrophobicContact CD1-CD1 3.79Å; I54-F167 HydrophobicContact CD1-CD2 3.86Å; I54-F167 HydrophobicContact CD1-CE1 3.75Å; I54-F167 HydrophobicContact CD1-CE2 3.83Å; I54-F167 HydrophobicContact CD1-CG 3.84Å; I54-F167 HydrophobicContact CD1-CZ 3.76Å
55	V	98.3	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.6	171.5	-173.7	0	0	0	0	109.4	Y66 Y68 W452 Y456 M457	V55-Y66 PolarHBondContact N-O 2.93Å; V55-Y66 PolarHBondContact O-N 3.48Å; V55-Y68 HydrophobicContact CB-CE2 4.22Å; V55-Y68 HydrophobicContact CG2-CD2 4.23Å; V55-Y68 HydrophobicContact CG2-CE2 4.06Å; V55-W452 HydrophobicContact CG1-CH2 3.83Å; V55-W452 HydrophobicContact CG1-CZ3 4.02Å; V55-Y456 HydrophobicContact CG1-CD1 4.37Å; V55-Y456 HydrophobicContact CG2-CD1 4.13Å; V55-M457 HydrophobicContact CG2-CB 4.14Å; V55-M457 HydrophobicContact CG2-CE 3.37Å
56	I	98.4	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.6	170.5	-54.1	-178.8	0	0	0	108.2	N64 V65 F111 M115 L132 F133 L134 G135 L162	I56-N64 WeakPolarHBondContact CA-O 3.39Å; I56-V65 HydrophobicContact CD1-CG2 4.4Å; I56-V65 HydrophobicContact CG1-CG1 4.23Å; I56-V65 HydrophobicContact CG1-CG2 4.1Å; I56-V65 HydrophobicContact CG2-CG2 4.49Å; I56-F111 HydrophobicContact CG2-CE1 3.73Å; I56-M115 HydrophobicContact CD1-SD 4.23Å; I56-L132 HydrophobicContact CD1-CD1 4.08Å; I56-L132 HydrophobicContact CG1-CD1 4.21Å; I56-F133 PolarHBondContact N-O 2.82Å; I56-L134 HydrophobicContact CB-CB 4Å; I56-L134 HydrophobicContact CB-CD1 4.1Å; I56-L134 HydrophobicContact CB-CG 3.94Å; I56-L134 HydrophobicContact CD1-CD1 4.26Å; I56-L134 HydrophobicContact CG2-CD1 3.83Å; I56-L134 HydrophobicContact CG2-CG 4.01Å; I56-L134 WeakPolarHBondContact O-CA 3.31Å; I56-G135 PolarHBondContact O-N 2.85Å; I56-L162 HydrophobicContact CD1-CD1 4.32Å; I56-L162 HydrophobicContact CD1-CD2 3.46Å; I56-L162 VanDerWaalsContact CD1-CD2 3.46Å
57	D	97.6	Very high	93.5	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.6	170.7	173.9	19.3	0	0	0	109.5	S63 N64 Y66 W452	D57-S63 CarbonylContact O-C 3.37Å; D57-S63 WeakPolarHBondContact O-CA 3.23Å; D57-N64 PolarHBondContact N-O 3.29Å; D57-N64 PolarHBondContact O-N 3.47Å; D57-Y66 HydrophobicContact CB-CD2 4.43Å; D57-Y66 HydrophobicContact CB-CE2 4.03Å; D57-W452 HydrophobicContact CB-CZ2 3.92Å; D57-W452 PolarHBondContact OD1-NE1 2.75Å
58	S	97.1	Very high	94.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	78.2	179	-75.4	0	0	0	0	111.1	S63 I94 G135 A136 T137	S58-S63 WeakPolarHBondContact CB-OG 3.34Å; S58-S63 PolarHBondContact OG-OG 3.45Å; S58-I94 VanDerWaalsContact CB-CD1 3.41Å; S58-G135 PolarHBondContact N-O 2.87Å; S58-A136 WeakPolarHBondContact O-CA 3.32Å; S58-T137 PolarHBondContact O-N 3.25Å; S58-T137 VanDerWaalsContact O-N 3.16Å
59	G	92.8	Very high	94.9	Very high	14 Å²	14	23 Å²	23	14%	0.144	13%	0.128	C	C	.	.			trans	-74.9	169.8	176.1	0	0	0	0	0	114.3	S61 R62 T137	G59-S61 PolarHBondContact O-N 3.36Å; G59-R62 PolarHBondContact N-O 2.93Å; G59-R62 PolarHBondContact O-N 3.02Å; G59-T137 WeakPolarHBondContact CA-OG1 3.43Å
60	S	88.5	Confident	95.2	Very high	28 Å²	28	21.3 Å²	21.3	20%	0.196	11%	0.111	C	C	.	.	S	Bend	trans	-62.2	-14.2	-177.3	62.2	0	0	0	0	115.2
61	S	86.4	Confident	95.2	Very high	59 Å²	59	20.3 Å²	20.3	41%	0.413	11%	0.109	S	C	.	.	S	Bend	trans	-121.5	-16.1	-175.8	-56.3	0	0	0	0	114.1	G59	G59-S61 PolarHBondContact O-N 3.36Å
62	R	90.6	Very high	94.8	Very high	120 Å²	120	19.8 Å²	19.8	45%	0.453	11%	0.107	S	C	.	.			trans	-170.2	159.7	-177.7	54.1	-176.8	152.4	-138.8	-4.5	110.4	G59	G59-R62 PolarHBondContact N-O 2.93Å; G59-R62 PolarHBondContact O-N 3.02Å
63	S	96.2	Very high	94.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.6	163.9	-56.7	0	0	0	0	111.4	D57 S58 V89	D57-S63 CarbonylContact O-C 3.37Å; D57-S63 WeakPolarHBondContact O-CA 3.23Å; S58-S63 WeakPolarHBondContact CB-OG 3.34Å; S58-S63 PolarHBondContact OG-OG 3.45Å; S63-V89 WeakPolarHBondContact O-CB 3.44Å; S63-V89 PolarHBondContact O-N 2.95Å
64	N	96.8	Very high	93.8	Very high	22 Å²	22	26.8 Å²	26.8	12%	0.118	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.4	173.8	-69.3	-41.5	0	0	0	109.6	I56 D57 Y66 C87 K88	I56-N64 WeakPolarHBondContact CA-O 3.39Å; D57-N64 PolarHBondContact N-O 3.29Å; D57-N64 PolarHBondContact O-N 3.47Å; N64-Y66 HydrophobicContact CB-CD2 4.22Å; N64-Y66 HydrophobicContact CB-CE2 3.48Å; N64-Y66 VanDerWaalsContact CB-CE2 3.48Å; N64-C87 CarbonylContact C-O 3.49Å; N64-C87 WeakPolarHBondContact CA-O 3.36Å; N64-K88 VanDerWaalsContact OD1-CA 3.26Å; N64-K88 WeakPolarHBondContact OD1-CA 3.44Å; N64-K88 WeakPolarHBondContact OD1-CB 3.46Å; N64-K88 WeakPolarHBondContact OD1-CG 3.35Å
65	V	98.1	Very high	93.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.2	172.5	-174.5	0	0	0	0	108.5	I54 I56 N86 C87 V89 C114 M115 I118	I54-V65 HydrophobicContact CG2-CG1 3.66Å; I56-V65 HydrophobicContact CD1-CG2 4.4Å; I56-V65 HydrophobicContact CG1-CG1 4.23Å; I56-V65 HydrophobicContact CG1-CG2 4.1Å; I56-V65 HydrophobicContact CG2-CG2 4.49Å; V65-N86 CarbonylContact O-C 3.54Å; V65-N86 VanDerWaalsContact O-CA 3.24Å; V65-N86 WeakPolarHBondContact O-CA 3.19Å; V65-C87 HydrophobicContact CB-CB 4.49Å; V65-C87 PolarHBondContact N-O 3.43Å; V65-C87 PolarHBondContact O-N 3.27Å; V65-V89 HydrophobicContact CG2-CG2 3.95Å; V65-C114 HydrophobicContact CB-CB 4.27Å; V65-C114 HydrophobicContact CG2-CB 3.75Å; V65-M115 HydrophobicContact CG1-SD 4.12Å; V65-M115 HydrophobicContact CG2-SD 4.46Å; V65-I118 HydrophobicContact CG1-CG1 3.96Å
66	Y	97.7	Very high	92.5	Very high	27 Å²	27	33.8 Å²	33.8	11%	0.106	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.6	176.9	-65.4	-91.9	0	0	0	110.4	I54 V55 D57 N64 Y68 N86	I54-Y66 VanDerWaalsContact CA-O 3.29Å; I54-Y66 WeakPolarHBondContact CA-O 3.32Å; V55-Y66 PolarHBondContact N-O 2.93Å; V55-Y66 PolarHBondContact O-N 3.48Å; D57-Y66 HydrophobicContact CB-CD2 4.43Å; D57-Y66 HydrophobicContact CB-CE2 4.03Å; N64-Y66 HydrophobicContact CB-CD2 4.22Å; N64-Y66 HydrophobicContact CB-CE2 3.48Å; N64-Y66 VanDerWaalsContact CB-CE2 3.48Å; Y66-Y68 HydrophobicContact CG-CE2 4.4Å; Y66-N86 HydrophobicContact CD1-CB 3.68Å; Y66-N86 HydrophobicContact CE1-CB 3.81Å; Y66-N86 HydrophobicContact CG-CB 4.41Å
67	L	97.7	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.2	167.2	176.6	63.7	0	0	0	108.9	F52 I54 R84 K85 I118 H121 I122	F52-L67 HydrophobicContact CB-CD1 4.27Å; F52-L67 HydrophobicContact CD1-CD1 4.22Å; I54-L67 HydrophobicContact CG1-CD1 3.96Å; L67-R84 HydrophobicContact CD2-CB 4.13Å; L67-R84 HydrophobicContact CD2-CG 3.9Å; L67-R84 HydrophobicContact CG-CB 4.05Å; L67-R84 HydrophobicContact CG-CG 4.38Å; L67-R84 PolarHBondContact O-N 3.46Å; L67-K85 HydrophobicContact CB-CB 4.19Å; L67-K85 HydrophobicContact CD2-CB 4.42Å; L67-K85 PolarHBondContact N-O 3.35Å; L67-K85 PolarHBondContact O-N 3.05Å; L67-I118 HydrophobicContact CB-CD1 3.75Å; L67-I118 HydrophobicContact CB-CG2 3.85Å; L67-I118 HydrophobicContact CD1-CG2 4.16Å; L67-I118 HydrophobicContact CD2-CG2 4.15Å; L67-I118 HydrophobicContact CG-CG2 4.27Å; L67-H121 HydrophobicContact CD2-CB 3.71Å; L67-I122 HydrophobicContact CD1-CD1 3.7Å; L67-I122 HydrophobicContact CD1-CG1 3.82Å; L67-I122 HydrophobicContact CD2-CD1 4.36Å; L67-I122 HydrophobicContact CD2-CG1 3.8Å; L67-I122 HydrophobicContact CG-CG1 4.47Å
68	Y	96.7	Very high	91.4	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153	174.3	-63.6	-68.9	0	0	0	110.5	F52 G53 V55 Y66 V81 T82 E83 S453 L454 M457	F52-Y68 CarbonylContact C-O 3.59Å; F52-Y68 VanDerWaalsContact CA-O 3.28Å; F52-Y68 WeakPolarHBondContact CA-O 3.34Å; G53-Y68 PolarHBondContact N-O 3.35Å; G53-Y68 PolarHBondContact O-N 3.03Å; V55-Y68 HydrophobicContact CB-CE2 4.22Å; V55-Y68 HydrophobicContact CG2-CD2 4.23Å; V55-Y68 HydrophobicContact CG2-CE2 4.06Å; Y66-Y68 HydrophobicContact CG-CE2 4.4Å; Y68-V81 HydrophobicContact CD1-CG1 3.9Å; Y68-V81 HydrophobicContact CG-CG1 3.93Å; Y68-T82 VanDerWaalsContact CA-O 3.28Å; Y68-T82 WeakPolarHBondContact CA-O 3.34Å; Y68-E83 HydrophobicContact CD1-CB 4.12Å; Y68-E83 HydrophobicContact CD1-CG 4.46Å; Y68-E83 HydrophobicContact CE1-CB 3.89Å; Y68-E83 HydrophobicContact CE1-CG 4.07Å; Y68-S453 PolarHBondContact OH-OG 3.29Å; Y68-L454 HydrophobicContact CD1-CD1 3.78Å; Y68-L454 HydrophobicContact CE1-CB 4Å; Y68-L454 HydrophobicContact CE1-CD1 3.65Å; Y68-L454 HydrophobicContact CE1-CG 4.36Å; Y68-L454 PolarHBondContact OH-N 3.33Å; Y68-M457 HydrophobicContact CD2-CB 3.82Å; Y68-M457 HydrophobicContact CD2-CE 4.4Å; Y68-M457 HydrophobicContact CD2-CG 3.84Å; Y68-M457 HydrophobicContact CE2-CB 4.21Å; Y68-M457 HydrophobicContact CG-CB 4.34Å; Y68-M457 HydrophobicContact CG-CG 4.06Å
69	E	95.5	Very high	91.1	Very high	34 Å²	34	37.8 Å²	37.8	16%	0.159	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.2	172.5	69.8	-173.2	-169.9	0	0	110.9	E51 F52 V81 T82 R84	E51-E69 CarbonylContact O-C 3.51Å; E51-E69 WeakPolarHBondContact O-CA 3.24Å; F52-E69 HydrophobicContact CD1-CB 3.78Å; F52-E69 HydrophobicContact CE1-CB 3.82Å; E69-V81 WeakPolarHBondContact O-CA 3.48Å; E69-T82 VanDerWaalsContact CG-OG1 3.28Å; E69-T82 WeakPolarHBondContact CG-OG1 3.27Å; E69-T82 PolarHBondContact N-O 3.39Å; E69-T82 PolarHBondContact O-N 3.33Å; E69-T82 PolarHBondContact O-OG1 2.93Å; E69-R84 HydrophobicContact CB-CB 4.5Å; E69-R84 HydrophobicContact CG-CB 4.13Å; E69-R84 WeakPolarHBondContact OE2-CD 3.23Å; E69-R84 WeakPolarHBondContact OE2-CG 3.32Å; E69-R84 IonicContact OE2-NE 2.74Å; E69-R84 PolarHBondContact OE2-NE 3.48Å
70	W	93.7	Very high	91	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.4	171.5	59	103.3	0	0	0	111	E51 F52 G72 V80 V81 M457 I464	E51-W70 HydrophobicContact CB-CD2 4.13Å; E51-W70 HydrophobicContact CB-CG 4.5Å; E51-W70 HydrophobicContact CB-CH2 4.46Å; E51-W70 HydrophobicContact CB-CZ2 3.77Å; E51-W70 PolarHBondContact N-O 3.3Å; E51-W70 PolarHBondContact O-N 3.48Å; F52-W70 VanDerWaalsContact C-CZ3 3.49Å; F52-W70 VanDerWaalsContact O-CH2 3.25Å; F52-W70 WeakPolarHBondContact O-CH2 3.27Å; W70-G72 PolarHBondContact O-N 3.5Å; W70-V80 WeakPolarHBondContact CB-O 3.43Å; W70-V81 HydrophobicContact CB-CG2 4.23Å; W70-V81 HydrophobicContact CD2-CG2 4.2Å; W70-V81 HydrophobicContact CE3-CG1 4.32Å; W70-V81 HydrophobicContact CE3-CG2 3.99Å; W70-V81 HydrophobicContact CG-CG2 4.31Å; W70-M457 HydrophobicContact CH2-SD 3.84Å; W70-M457 HydrophobicContact CZ3-CG 4.12Å; W70-M457 HydrophobicContact CZ3-SD 3.76Å; W70-I464 HydrophobicContact CH2-CD1 3.62Å; W70-I464 HydrophobicContact CZ2-CB 4.34Å; W70-I464 HydrophobicContact CZ2-CD1 3.66Å; W70-I464 HydrophobicContact CZ2-CG2 4.14Å
71	P	91.2	Very high	91.3	Very high	66 Å²	66	36.7 Å²	36.7	43%	0.429	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	133.9	164.7	-19.2	32.3	0	0	0	109.7	E73	P71-E73 PolarHBondContact O-N 2.93Å; P71-E73 VanDerWaalsContact O-N 3.13Å
72	G	85.7	Confident	91.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-61.2	-22.2	176.7	0	0	0	0	0	112.8	Y48 G49 W70 K74 S466	Y48-G72 VanDerWaalsContact CD1-C 3.48Å; G49-G72 WeakPolarHBondContact O-CA 3.3Å; G49-G72 PolarHBondContact O-N 2.95Å; W70-G72 PolarHBondContact O-N 3.5Å; G72-K74 PolarHBondContact O-N 3.32Å; G72-S466 WeakPolarHBondContact O-CB 3.46Å; G72-S466 PolarHBondContact O-OG 3.03Å
73	E	85.7	Confident	91.7	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	17%	0.172	S	C	.	.	S	Bend	trans	-67.8	120	166.8	-170	166.6	-151.3	0	0	109.2	Y48 P71	Y48-E73 VanDerWaalsContact CB-N 3.34Å; Y48-E73 HydrophobicContact CD1-CB 4.19Å; Y48-E73 HydrophobicContact CD2-CB 3.6Å; Y48-E73 HydrophobicContact CD2-CG 4.03Å; Y48-E73 HydrophobicContact CE2-CB 4.07Å; Y48-E73 HydrophobicContact CE2-CG 4.01Å; Y48-E73 HydrophobicContact CG-CB 3.69Å; P71-E73 PolarHBondContact O-N 2.93Å; P71-E73 VanDerWaalsContact O-N 3.13Å
74	K	86.1	Confident	91.7	Very high	45 Å²	45	40.1 Å²	40.1	20%	0.196	20%	0.195	C	C	.	.			trans	-102.5	146.8	-177.6	-58.8	-168.4	-159.2	168.5	0	110.8	G72 E77 S461 N462 I464 S466	G72-K74 PolarHBondContact O-N 3.32Å; K74-E77 WeakPolarHBondContact CD-O 3.45Å; K74-S461 VanDerWaalsContact CE-O 3.26Å; K74-S461 WeakPolarHBondContact CE-O 3.29Å; K74-S461 PolarHBondContact NZ-O 2.7Å; K74-N462 PolarHBondContact NZ-O 3.43Å; K74-I464 WeakPolarHBondContact CE-O 3.43Å; K74-I464 PolarHBondContact NZ-O 3.18Å; K74-S466 WeakPolarHBondContact CE-OG 3.05Å
75	E	86.9	Confident	91.6	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.248	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-91.6	111.3	173.3	-64.3	-59.9	157.9	0	0	108.5	E77 T78 V80 L196 Y204 Y244	E75-E77 VanDerWaalsContact C-N 3.32Å; E75-E77 PolarHBondContact O-N 3.45Å; E75-T78 PolarHBondContact N-O 2.86Å; E75-T78 PolarHBondContact O-N 2.67Å; E75-V80 HydrophobicContact CB-CG2 4.46Å; E75-V80 HydrophobicContact CG-CG2 3.82Å; E75-L196 HydrophobicContact CB-CD2 4.23Å; E75-L196 HydrophobicContact CG-CD2 4.13Å; E75-Y204 HydrophobicContact CG-CD2 3.79Å; E75-Y204 HydrophobicContact CG-CG 4.12Å; E75-Y204 WeakPolarHBondContact OE1-CD2 3.34Å; E75-Y244 HydrophobicContact CB-CD1 3.84Å; E75-Y244 HydrophobicContact CB-CE1 4.18Å; E75-Y244 WeakPolarHBondContact O-CD1 3.31Å
76	N	83.3	Confident	91.5	Very high	95 Å²	95	45.6 Å²	45.6	51%	0.508	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	55	-178.3	-66.4	-24.6	0	0	0	113	T78 Y244 G245	N76-T78 PolarHBondContact O-N 3.03Å; N76-Y244 WeakPolarHBondContact CB-O 3.5Å; N76-Y244 PolarHBondContact ND2-O 2.91Å; N76-G245 PolarHBondContact O-N 2.87Å
77	E	84.3	Confident	91.4	Very high	113 Å²	113	45 Å²	45	53%	0.528	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-14.7	179.9	-47.8	168.3	149.8	0	0	115.5	K74 E75 K242 N462	K74-E77 WeakPolarHBondContact CD-O 3.45Å; E75-E77 VanDerWaalsContact C-N 3.32Å; E75-E77 PolarHBondContact O-N 3.45Å; E77-K242 IonicContact OE2-NZ 3.68Å; E77-K242 PolarHBondContact OE2-NZ 2.92Å; E77-N462 WeakPolarHBondContact O-CA 3.35Å; E77-N462 PolarHBondContact O-OD1 2.89Å
78	T	88.7	Confident	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-105.5	136.1	-176.3	-52.5	0	0	0	0	112.2	E75 N76 Y244 L458 N462	E75-T78 PolarHBondContact N-O 2.86Å; E75-T78 PolarHBondContact O-N 2.67Å; N76-T78 PolarHBondContact O-N 3.03Å; T78-Y244 HydrophobicContact CG2-CD1 4.07Å; T78-Y244 HydrophobicContact CG2-CD2 4.33Å; T78-Y244 HydrophobicContact CG2-CE1 3.59Å; T78-Y244 HydrophobicContact CG2-CE2 3.92Å; T78-Y244 HydrophobicContact CG2-CG 4.4Å; T78-Y244 PolarHBondContact OG1-N 2.78Å; T78-L458 HydrophobicContact CG2-CD2 4.44Å; T78-N462 WeakPolarHBondContact CA-OD1 3.47Å; T78-N462 WeakPolarHBondContact CB-OD1 3.43Å; T78-N462 WeakPolarHBondContact CG2-OD1 3.47Å; T78-N462 PolarHBondContact OG1-OD1 3.34Å
79	G	89.7	Confident	91.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	C	.	.			trans	-71.8	150.8	176.2	0	0	0	0	0	112.7	V81 Y244 L458 S461	G79-V81 PolarHBondContact O-N 3.38Å; G79-Y244 PolarHBondContact O-OH 3.45Å; G79-L458 WeakPolarHBondContact O-CD2 3.2Å; G79-S461 PolarHBondContact N-OG 2.92Å
80	V	92.3	Very high	91.5	Very high	16 Å²	16	56.9 Å²	56.9	10%	0.097	27%	0.273	C	S	.	.			trans	-94	89.2	169	-174.2	0	0	0	0	108.1	W70 E75 Y190 L196 Y204 Y244	W70-V80 WeakPolarHBondContact CB-O 3.43Å; E75-V80 HydrophobicContact CB-CG2 4.46Å; E75-V80 HydrophobicContact CG-CG2 3.82Å; V80-Y190 WeakPolarHBondContact CG1-OH 3.2Å; V80-L196 HydrophobicContact CG2-CD2 3.66Å; V80-Y204 HydrophobicContact CG1-CE1 4.33Å; V80-Y204 HydrophobicContact CG2-CD2 4.32Å; V80-Y204 HydrophobicContact CG2-CE2 4.01Å; V80-Y244 HydrophobicContact CG2-CE1 4.46Å
81	V	93.2	Very high	91.5	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	29%	0.29	C	S	.	.			trans	-85.6	136.4	-167.5	-176.4	0	0	0	0	112.5	Y68 E69 W70 G79 Y190 L454 M457 L458	Y68-V81 HydrophobicContact CD1-CG1 3.9Å; Y68-V81 HydrophobicContact CG-CG1 3.93Å; E69-V81 WeakPolarHBondContact O-CA 3.48Å; W70-V81 HydrophobicContact CB-CG2 4.23Å; W70-V81 HydrophobicContact CD2-CG2 4.2Å; W70-V81 HydrophobicContact CE3-CG1 4.32Å; W70-V81 HydrophobicContact CE3-CG2 3.99Å; W70-V81 HydrophobicContact CG-CG2 4.31Å; G79-V81 PolarHBondContact O-N 3.38Å; V81-Y190 PolarHBondContact N-OH 3Å; V81-Y190 WeakPolarHBondContact O-CE1 3.42Å; V81-Y190 VanDerWaalsContact O-CZ 3.25Å; V81-Y190 PolarHBondContact O-OH 3.01Å; V81-L454 HydrophobicContact CB-CD1 3.99Å; V81-L454 HydrophobicContact CG1-CD1 3.58Å; V81-M457 HydrophobicContact CG1-CG 4.09Å; V81-L458 HydrophobicContact CB-CD2 3.82Å; V81-L458 HydrophobicContact CB-CG 4.25Å; V81-L458 HydrophobicContact CG2-CD2 3.64Å; V81-L458 HydrophobicContact CG2-CG 4.18Å
82	T	92.8	Very high	91.7	Very high	69 Å²	69	56.3 Å²	56.3	42%	0.423	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.6	173.4	55.3	0	0	0	0	110.6	Y68 E69 R84	Y68-T82 VanDerWaalsContact CA-O 3.28Å; Y68-T82 WeakPolarHBondContact CA-O 3.34Å; E69-T82 VanDerWaalsContact CG-OG1 3.28Å; E69-T82 WeakPolarHBondContact CG-OG1 3.27Å; E69-T82 PolarHBondContact N-O 3.39Å; E69-T82 PolarHBondContact O-N 3.33Å; E69-T82 PolarHBondContact O-OG1 2.93Å; T82-R84 PolarHBondContact O-N 3.01Å
83	E	94.6	Very high	92.2	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	117.8	170.2	-171.5	-174.7	123.8	0	0	109.2	Y68 N86 T448	Y68-E83 HydrophobicContact CD1-CB 4.12Å; Y68-E83 HydrophobicContact CD1-CG 4.46Å; Y68-E83 HydrophobicContact CE1-CB 3.89Å; Y68-E83 HydrophobicContact CE1-CG 4.07Å; E83-N86 PolarHBondContact OE1-ND2 2.79Å; E83-T448 HydrophobicContact CB-CG2 4.42Å
84	R	94.4	Very high	92.7	Very high	132 Å²	132	52.3 Å²	52.3	50%	0.498	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-42	178.5	-178.3	54.8	169.9	165.4	3.5	111.7	L67 E69 T82	L67-R84 HydrophobicContact CD2-CB 4.13Å; L67-R84 HydrophobicContact CD2-CG 3.9Å; L67-R84 HydrophobicContact CG-CB 4.05Å; L67-R84 HydrophobicContact CG-CG 4.38Å; L67-R84 PolarHBondContact O-N 3.46Å; E69-R84 HydrophobicContact CB-CB 4.5Å; E69-R84 HydrophobicContact CG-CB 4.13Å; E69-R84 WeakPolarHBondContact OE2-CD 3.23Å; E69-R84 WeakPolarHBondContact OE2-CG 3.32Å; E69-R84 IonicContact OE2-NE 2.74Å; E69-R84 PolarHBondContact OE2-NE 3.48Å; T82-R84 PolarHBondContact O-N 3.01Å
85	K	95.1	Very high	93.2	Very high	68 Å²	68	50.8 Å²	50.8	30%	0.296	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	151	-177.9	-165.2	64	171.1	-167.5	0	111.3	L67 I118	L67-K85 HydrophobicContact CB-CB 4.19Å; L67-K85 HydrophobicContact CD2-CB 4.42Å; L67-K85 PolarHBondContact N-O 3.35Å; L67-K85 PolarHBondContact O-N 3.05Å; K85-I118 HydrophobicContact CB-CD1 3.88Å; K85-I118 HydrophobicContact CG-CD1 3.87Å
86	N	95.4	Very high	93.6	Very high	69 Å²	69	53.2 Å²	53.2	37%	0.369	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.8	164.7	68.2	73	0	0	0	112.1	V65 Y66 E83	V65-N86 CarbonylContact O-C 3.54Å; V65-N86 VanDerWaalsContact O-CA 3.24Å; V65-N86 WeakPolarHBondContact O-CA 3.19Å; Y66-N86 HydrophobicContact CD1-CB 3.68Å; Y66-N86 HydrophobicContact CE1-CB 3.81Å; Y66-N86 HydrophobicContact CG-CB 4.41Å; E83-N86 PolarHBondContact OE1-ND2 2.79Å
87	C	97.4	Very high	94.2	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.095	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	120.2	176.4	-174.1	0	0	0	0	111	N64 V65 V89 C114 K117	N64-C87 CarbonylContact C-O 3.49Å; N64-C87 WeakPolarHBondContact CA-O 3.36Å; V65-C87 HydrophobicContact CB-CB 4.49Å; V65-C87 PolarHBondContact N-O 3.43Å; V65-C87 PolarHBondContact O-N 3.27Å; C87-V89 PolarHBondContact O-N 3.47Å; C87-C114 HydrophobicContact CB-CB 3.62Å; C87-C114 WeakPolarHBondContact CB-SG 3.4Å; C87-C114 WeakPolarHBondContact SG-CA 3.43Å; C87-C114 WeakPolarHBondContact SG-CB 3.43Å; C87-C114 CovalentContact SG-SG 2.05Å; C87-C114 PolarHBondContact SG-SG 2.97Å; C87-K117 HydrophobicContact CB-CD 4.43Å
88	K	96.9	Very high	94.7	Very high	129 Å²	129	45.5 Å²	45.5	56%	0.561	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.5	172.4	-178.6	-178.8	176.9	-169.6	0	110.3	N64 K90	N64-K88 VanDerWaalsContact OD1-CA 3.26Å; N64-K88 WeakPolarHBondContact OD1-CA 3.44Å; N64-K88 WeakPolarHBondContact OD1-CB 3.46Å; N64-K88 WeakPolarHBondContact OD1-CG 3.35Å; K88-K90 PolarHBondContact O-N 3.47Å
89	V	97.8	Very high	94.9	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69.1	128.5	178.6	178.4	0	0	0	0	109.2	S63 V65 C87 F111	S63-V89 WeakPolarHBondContact O-CB 3.44Å; S63-V89 PolarHBondContact O-N 2.95Å; V65-V89 HydrophobicContact CG2-CG2 3.95Å; C87-V89 PolarHBondContact O-N 3.47Å; V89-F111 HydrophobicContact CB-CE1 4.48Å; V89-F111 HydrophobicContact CG1-CD1 4.12Å; V89-F111 HydrophobicContact CG1-CD2 4.02Å; V89-F111 HydrophobicContact CG1-CE1 4.22Å; V89-F111 HydrophobicContact CG1-CE2 4.13Å; V89-F111 HydrophobicContact CG1-CG 4.01Å; V89-F111 HydrophobicContact CG1-CZ 4.23Å; V89-F111 HydrophobicContact CG2-CD1 3.7Å; V89-F111 HydrophobicContact CG2-CE1 3.71Å; V89-F111 HydrophobicContact CG2-CG 4.38Å; V89-F111 HydrophobicContact CG2-CZ 4.4Å
90	K	96.6	Very high	95.1	Very high	149 Å²	149	52.7 Å²	52.7	65%	0.648	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-81	138	171.1	-65.6	178.6	-176.3	171.1	0	109.1	K88	K88-K90 PolarHBondContact O-N 3.47Å
91	G	94.6	Very high	95.2	Very high	34 Å²	34	56.1 Å²	56.1	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	131.3	-164.9	-179.1	0	0	0	0	0	111.7	T107	G91-T107 WeakPolarHBondContact CA-OG1 3.3Å
92	A	94.6	Very high	95.4	Very high	20 Å²	20	63.4 Å²	63.4	17%	0.165	33%	0.33	C	S	.	.			trans	-83	159.2	178	0	0	0	0	0	111.1	E96 T107	A92-E96 HydrophobicContact CB-CB 4.13Å; A92-T107 PolarHBondContact N-OG1 2.97Å
93	P	95.3	Very high	95.4	Very high	27 Å²	27	63 Å²	63	18%	0.175	32%	0.324	C	S	.	.			trans	-55.3	144.3	162.8	-17.5	30.1	0	0	0	109.8	S95 E96	P93-S95 PolarHBondContact O-N 2.97Å; P93-S95 VanDerWaalsContact O-N 3.09Å; P93-E96 HydrophobicContact CB-CG 4.47Å; P93-E96 HydrophobicContact CG-CG 4.39Å; P93-E96 WeakPolarHBondContact O-CB 3.14Å; P93-E96 PolarHBondContact O-N 2.99Å
94	I	97.4	Very high	95.5	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24.8	-174.2	60.7	164.6	0	0	0	113.2	S58 E96 L97 F111 A136 M140 I154 L158	S58-I94 VanDerWaalsContact CB-CD1 3.41Å; I94-E96 PolarHBondContact O-N 3.33Å; I94-L97 HydrophobicContact CB-CD1 3.99Å; I94-L97 HydrophobicContact CG2-CD1 4.12Å; I94-L97 WeakPolarHBondContact O-CB 3.33Å; I94-L97 WeakPolarHBondContact O-CG 3.22Å; I94-L97 PolarHBondContact O-N 3.48Å; I94-F111 HydrophobicContact CG2-CE2 3.93Å; I94-F111 HydrophobicContact CG2-CZ 3.85Å; I94-A136 HydrophobicContact CD1-CB 3.68Å; I94-M140 HydrophobicContact CD1-CG 3.57Å; I94-M140 HydrophobicContact CD1-SD 4.07Å; I94-M140 HydrophobicContact CG1-CG 3.8Å; I94-M140 HydrophobicContact CG1-SD 3.97Å; I94-I154 HydrophobicContact CB-CG2 4.47Å; I94-L158 HydrophobicContact CB-CD1 4.37Å; I94-L158 HydrophobicContact CD1-CD1 3.93Å; I94-L158 HydrophobicContact CG2-CD1 4.25Å
95	S	95.9	Very high	95.7	Very high	12 Å²	12	61.6 Å²	61.6	8%	0.084	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-68.3	-12.3	174.9	55.8	0	0	0	0	113.9	P93 M140 R150	P93-S95 PolarHBondContact O-N 2.97Å; P93-S95 VanDerWaalsContact O-N 3.09Å; S95-M140 VanDerWaalsContact CA-SD 3.55Å; S95-R150 PolarHBondContact O-NH2 2.74Å
96	E	95	Very high	95.8	Very high	104 Å²	104	63.1 Å²	63.1	49%	0.486	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-98.4	-1	176.9	-61.4	-59.9	161.3	0	0	113.1	A92 P93 I94 R150	A92-E96 HydrophobicContact CB-CB 4.13Å; P93-E96 HydrophobicContact CB-CG 4.47Å; P93-E96 HydrophobicContact CG-CG 4.39Å; P93-E96 WeakPolarHBondContact O-CB 3.14Å; P93-E96 PolarHBondContact O-N 2.99Å; I94-E96 PolarHBondContact O-N 3.33Å; E96-R150 PolarHBondContact O-NH2 2.83Å
97	L	96.1	Very high	95.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	163.1	176.4	-62.6	174.8	0	0	0	111.9	I94 V99 D104 T107 F108 R150 I154	I94-L97 HydrophobicContact CB-CD1 3.99Å; I94-L97 HydrophobicContact CG2-CD1 4.12Å; I94-L97 WeakPolarHBondContact O-CB 3.33Å; I94-L97 WeakPolarHBondContact O-CG 3.22Å; I94-L97 PolarHBondContact O-N 3.48Å; L97-V99 PolarHBondContact O-N 3.39Å; L97-D104 VanDerWaalsContact CA-OD1 3.22Å; L97-D104 WeakPolarHBondContact CA-OD1 3.09Å; L97-D104 HydrophobicContact CD2-CB 4.2Å; L97-D104 WeakPolarHBondContact CD2-OD1 3.2Å; L97-T107 HydrophobicContact CD2-CG2 4.02Å; L97-F108 HydrophobicContact CD1-CE2 4.38Å; L97-R150 PolarHBondContact O-NE 3.45Å; L97-R150 PolarHBondContact O-NH2 2.77Å; L97-I154 HydrophobicContact CB-CD1 4.01Å; L97-I154 HydrophobicContact CB-CG1 3.93Å; L97-I154 HydrophobicContact CB-CG2 4.39Å; L97-I154 HydrophobicContact CD1-CG2 4Å; L97-I154 WeakPolarHBondContact O-CD1 3.16Å
98	E	96	Very high	95.9	Very high	45 Å²	45	61.1 Å²	61.1	21%	0.21	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	15.6	-174.6	-55.6	-71	155.5	0	0	114.7	D104 R150 K153 I154 K157	E98-D104 PolarHBondContact N-OD1 3.4Å; E98-D104 PolarHBondContact N-OD2 3.25Å; E98-R150 HydrophobicContact CB-CG 3.95Å; E98-R150 HydrophobicContact CG-CG 4.36Å; E98-K153 HydrophobicContact CG-CD 4.21Å; E98-K153 WeakPolarHBondContact OE2-CD 3.12Å; E98-K153 WeakPolarHBondContact OE2-CE 3.49Å; E98-K153 IonicContact OE2-NZ 2.67Å; E98-K153 PolarHBondContact OE2-NZ 3.05Å; E98-I154 HydrophobicContact CB-CG1 4.44Å; E98-I154 HydrophobicContact CG-CD1 4.22Å; E98-I154 HydrophobicContact CG-CG1 3.57Å; E98-K157 WeakPolarHBondContact OE1-CD 3.23Å; E98-K157 WeakPolarHBondContact OE1-CE 3.47Å; E98-K157 IonicContact OE1-NZ 2.75Å; E98-K157 PolarHBondContact OE1-NZ 2.88Å; E98-K157 IonicContact OE2-NZ 2.88Å
99	V	92.3	Very high	96	Very high	100 Å²	100	61.6 Å²	61.6	61%	0.606	32%	0.318	S	S	*	.	S	Bend	trans	-104.6	-38.6	171.2	170.5	0	0	0	0	111.1	L97	L97-V99 PolarHBondContact O-N 3.39Å
100	S	94.6	Very high	96	Very high	50 Å²	50	61.2 Å²	61.2	35%	0.35	32%	0.316	S	S	.	.			trans	-139.6	114.9	-177.2	172.3	0	0	0	0	109.7	K102 E103 D104	S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 VanDerWaalsContact O-N 3.16Å; S100-E103 PolarHBondContact O-N 2.91Å; S100-E103 VanDerWaalsContact O-N 3.07Å; S100-D104 PolarHBondContact O-N 3.32Å
101	S	94.3	Very high	96.1	Very high	89 Å²	89	54.2 Å²	54.2	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-54.3	-36.6	178.5	54.1	0	0	0	0	112.6	D104 E105	S101-D104 PolarHBondContact O-N 3.03Å; S101-E105 WeakPolarHBondContact O-CG 3.44Å; S101-E105 PolarHBondContact O-N 2.82Å
102	K	95.5	Very high	96.3	Very high	154 Å²	154	55.4 Å²	55.4	67%	0.67	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-43	178.1	-176.5	-179.5	177.9	-178.5	0	112.7	S100 K106	S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 VanDerWaalsContact O-N 3.16Å; K102-K106 WeakPolarHBondContact O-CB 3.47Å; K102-K106 PolarHBondContact O-N 2.96Å
103	E	94.2	Very high	96.5	Very high	62 Å²	62	58 Å²	58	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-74.6	-31.3	176.8	-75.9	-64	128.8	0	0	111.2	S100 K106 T107	S100-E103 PolarHBondContact O-N 2.91Å; S100-E103 VanDerWaalsContact O-N 3.07Å; E103-K106 VanDerWaalsContact CD-NZ 3.34Å; E103-K106 PolarHBondContact O-N 3.11Å; E103-K106 WeakPolarHBondContact OE1-CD 3.33Å; E103-K106 IonicContact OE1-NZ 3.43Å; E103-K106 PolarHBondContact OE1-NZ 2.91Å; E103-K106 IonicContact OE2-NZ 2.86Å; E103-K106 PolarHBondContact OE2-NZ 3.35Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 2.97Å; E103-T107 PolarHBondContact O-OG1 2.89Å
104	D	96.8	Very high	96.7	Very high	14 Å²	14	56.8 Å²	56.8	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-53.7	172	-71.2	13.7	0	0	0	111	L97 E98 S100 S101 K106 T107 F108	L97-D104 VanDerWaalsContact CA-OD1 3.22Å; L97-D104 WeakPolarHBondContact CA-OD1 3.09Å; L97-D104 HydrophobicContact CD2-CB 4.2Å; L97-D104 WeakPolarHBondContact CD2-OD1 3.2Å; E98-D104 PolarHBondContact N-OD1 3.4Å; E98-D104 PolarHBondContact N-OD2 3.25Å; S100-D104 PolarHBondContact O-N 3.32Å; S101-D104 PolarHBondContact O-N 3.03Å; D104-K106 VanDerWaalsContact C-N 3.32Å; D104-K106 PolarHBondContact O-N 3Å; D104-T107 PolarHBondContact O-N 3.32Å; D104-T107 VanDerWaalsContact O-N 3.08Å; D104-F108 VanDerWaalsContact O-CD2 3.31Å; D104-F108 WeakPolarHBondContact O-CD2 3.34Å; D104-F108 PolarHBondContact O-N 3.24Å
105	E	97.3	Very high	96.7	Very high	139 Å²	139	56.8 Å²	56.8	65%	0.65	29%	0.285	S	S	*	.	H	α-helix	trans	-56.3	-45.3	178.1	-76.2	173.3	-165.4	0	0	112.1	S101 T107 F108 K109	S101-E105 WeakPolarHBondContact O-CG 3.44Å; S101-E105 PolarHBondContact O-N 2.82Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 3.38Å; E105-F108 PolarHBondContact O-N 3.31Å; E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 PolarHBondContact O-N 2.95Å
106	K	97.6	Very high	96.8	Very high	101 Å²	101	59.8 Å²	59.8	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-39.4	176.9	179.1	-174.3	168.9	-158.8	0	112.1	K102 E103 D104 G110	K102-K106 WeakPolarHBondContact O-CB 3.47Å; K102-K106 PolarHBondContact O-N 2.96Å; E103-K106 VanDerWaalsContact CD-NZ 3.34Å; E103-K106 PolarHBondContact O-N 3.11Å; E103-K106 WeakPolarHBondContact OE1-CD 3.33Å; E103-K106 IonicContact OE1-NZ 3.43Å; E103-K106 PolarHBondContact OE1-NZ 2.91Å; E103-K106 IonicContact OE2-NZ 2.86Å; E103-K106 PolarHBondContact OE2-NZ 3.35Å; D104-K106 VanDerWaalsContact C-N 3.32Å; D104-K106 PolarHBondContact O-N 3Å; K106-G110 PolarHBondContact O-N 3.34Å
107	T	97.8	Very high	96.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.1	-45.6	-179.9	-55.1	0	0	0	0	111.4	G91 A92 L97 E103 D104 E105 K109 G110 F111	G91-T107 WeakPolarHBondContact CA-OG1 3.3Å; A92-T107 PolarHBondContact N-OG1 2.97Å; L97-T107 HydrophobicContact CD2-CG2 4.02Å; E103-T107 WeakPolarHBondContact O-CB 3.3Å; E103-T107 PolarHBondContact O-N 2.97Å; E103-T107 PolarHBondContact O-OG1 2.89Å; D104-T107 PolarHBondContact O-N 3.32Å; D104-T107 VanDerWaalsContact O-N 3.08Å; E105-T107 VanDerWaalsContact C-N 3.31Å; E105-T107 PolarHBondContact O-N 3.38Å; T107-K109 VanDerWaalsContact C-N 3.33Å; T107-K109 PolarHBondContact O-N 3.1Å; T107-G110 WeakPolarHBondContact O-CA 3.42Å; T107-G110 PolarHBondContact O-N 3.46Å; T107-G110 VanDerWaalsContact O-N 3.11Å; T107-F111 HydrophobicContact CG2-CD2 4.09Å; T107-F111 HydrophobicContact CG2-CE2 3.81Å; T107-F111 VanDerWaalsContact O-CD2 3.29Å; T107-F111 WeakPolarHBondContact O-CD2 3.4Å; T107-F111 PolarHBondContact O-N 3.37Å
108	F	98.3	Very high	97	Very high	40 Å²	40	59.1 Å²	59.1	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-37	174.8	-81.7	-75.9	0	0	0	112.3	L97 D104 E105 G110 F111 Q112 K157 L158 F161	L97-F108 HydrophobicContact CD1-CE2 4.38Å; D104-F108 VanDerWaalsContact O-CD2 3.31Å; D104-F108 WeakPolarHBondContact O-CD2 3.34Å; D104-F108 PolarHBondContact O-N 3.24Å; E105-F108 PolarHBondContact O-N 3.31Å; F108-G110 VanDerWaalsContact C-N 3.35Å; F108-F111 WeakPolarHBondContact O-CB 3.37Å; F108-F111 PolarHBondContact O-N 3.31Å; F108-Q112 PolarHBondContact O-N 3.33Å; F108-K157 HydrophobicContact CE2-CD 4.49Å; F108-K157 HydrophobicContact CZ-CB 3.81Å; F108-K157 HydrophobicContact CZ-CD 4.47Å; F108-L158 HydrophobicContact CE1-CD2 4Å; F108-L158 HydrophobicContact CZ-CD2 4.29Å; F108-F161 HydrophobicContact CD1-CB 4.15Å; F108-F161 AromaticContact CD1-CD2 3.95Å; F108-F161 HydrophobicContact CD1-CD2 3.95Å; F108-F161 AromaticContact CD1-CG 3.95Å; F108-F161 HydrophobicContact CD1-CG 3.95Å; F108-F161 HydrophobicContact CE1-CB 3.89Å; F108-F161 HydrophobicContact CE1-CG 4.15Å
109	K	98.3	Very high	97	Very high	140 Å²	140	59.9 Å²	59.9	61%	0.609	30%	0.299	S	S	*	.	H	α-helix	trans	-61.7	-43.2	170	-178.6	171	-178.3	171.1	0	111.8	E105 T107 F111 Q112 D113	E105-K109 VanDerWaalsContact O-CB 3.29Å; E105-K109 WeakPolarHBondContact O-CB 3.25Å; E105-K109 PolarHBondContact O-N 2.95Å; T107-K109 VanDerWaalsContact C-N 3.33Å; T107-K109 PolarHBondContact O-N 3.1Å; K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.92Å; K109-Q112 PolarHBondContact O-N 2.69Å; K109-Q112 VanDerWaalsContact O-N 3.17Å; K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.43Å
110	G	98.4	Very high	97.2	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-36.2	175.3	0	0	0	0	0	113.3	K106 T107 F108 C114	K106-G110 PolarHBondContact O-N 3.34Å; T107-G110 WeakPolarHBondContact O-CA 3.42Å; T107-G110 PolarHBondContact O-N 3.46Å; T107-G110 VanDerWaalsContact O-N 3.11Å; F108-G110 VanDerWaalsContact C-N 3.35Å; G110-C114 PolarHBondContact O-N 2.81Å
111	F	98.6	Very high	97.3	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-48.9	171.1	-82.3	-68.5	0	0	0	111	I56 V89 I94 T107 F108 K109 D113 C114 M115 L158 F161	I56-F111 HydrophobicContact CG2-CE1 3.73Å; V89-F111 HydrophobicContact CB-CE1 4.48Å; V89-F111 HydrophobicContact CG1-CD1 4.12Å; V89-F111 HydrophobicContact CG1-CD2 4.02Å; V89-F111 HydrophobicContact CG1-CE1 4.22Å; V89-F111 HydrophobicContact CG1-CE2 4.13Å; V89-F111 HydrophobicContact CG1-CG 4.01Å; V89-F111 HydrophobicContact CG1-CZ 4.23Å; V89-F111 HydrophobicContact CG2-CD1 3.7Å; V89-F111 HydrophobicContact CG2-CE1 3.71Å; V89-F111 HydrophobicContact CG2-CG 4.38Å; V89-F111 HydrophobicContact CG2-CZ 4.4Å; I94-F111 HydrophobicContact CG2-CE2 3.93Å; I94-F111 HydrophobicContact CG2-CZ 3.85Å; T107-F111 HydrophobicContact CG2-CD2 4.09Å; T107-F111 HydrophobicContact CG2-CE2 3.81Å; T107-F111 VanDerWaalsContact O-CD2 3.29Å; T107-F111 WeakPolarHBondContact O-CD2 3.4Å; T107-F111 PolarHBondContact O-N 3.37Å; F108-F111 WeakPolarHBondContact O-CB 3.37Å; F108-F111 PolarHBondContact O-N 3.31Å; K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.92Å; F111-D113 PolarHBondContact O-N 3.42Å; F111-C114 PolarHBondContact O-N 3.31Å; F111-C114 VanDerWaalsContact O-N 3.12Å; F111-M115 WeakPolarHBondContact O-CG 3.37Å; F111-M115 PolarHBondContact O-N 3.14Å; F111-L158 HydrophobicContact CD2-CD2 4.47Å; F111-L158 HydrophobicContact CE2-CD2 4.03Å; F111-L158 HydrophobicContact CZ-CD2 4.34Å; F111-F161 HydrophobicContact CB-CE1 3.69Å; F111-F161 HydrophobicContact CB-CZ 3.76Å; F111-F161 HydrophobicContact CG-CE1 4.46Å
112	Q	98.5	Very high	97.5	Very high	60 Å²	60	58.5 Å²	58.5	28%	0.28	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-48	178.5	-169.4	61.9	54.4	0	0	112	F108 K109 C114 M115 D116 F161	F108-Q112 PolarHBondContact O-N 3.33Å; K109-Q112 PolarHBondContact O-N 2.69Å; K109-Q112 VanDerWaalsContact O-N 3.17Å; Q112-C114 PolarHBondContact O-N 2.97Å; Q112-M115 PolarHBondContact O-N 2.85Å; Q112-M115 VanDerWaalsContact O-N 3.07Å; Q112-D116 PolarHBondContact NE2-OD1 3.01Å; Q112-D116 VanDerWaalsContact O-CG 3.3Å; Q112-D116 PolarHBondContact O-N 2.99Å; Q112-F161 HydrophobicContact CB-CE2 4.34Å; Q112-F161 HydrophobicContact CB-CZ 4.27Å
113	D	98.4	Very high	97.5	Very high	74 Å²	74	53.6 Å²	53.6	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-54.6	-40	176.6	-70.6	-10.5	0	0	0	111.4	K109 F111 K117	K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.43Å; F111-D113 PolarHBondContact O-N 3.42Å; D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 PolarHBondContact O-N 3.23Å; D113-K117 VanDerWaalsContact O-N 3.16Å
114	C	98.4	Very high	97.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	28%	0.281	C	S	.	.	H	α-helix	trans	-72.8	-41.1	176.7	-78.9	0	0	0	0	113	V65 C87 G110 F111 Q112 K117 I118	V65-C114 HydrophobicContact CB-CB 4.27Å; V65-C114 HydrophobicContact CG2-CB 3.75Å; C87-C114 HydrophobicContact CB-CB 3.62Å; C87-C114 WeakPolarHBondContact CB-SG 3.4Å; C87-C114 WeakPolarHBondContact SG-CA 3.43Å; C87-C114 WeakPolarHBondContact SG-CB 3.43Å; C87-C114 CovalentContact SG-SG 2.05Å; C87-C114 PolarHBondContact SG-SG 2.97Å; G110-C114 PolarHBondContact O-N 2.81Å; F111-C114 PolarHBondContact O-N 3.31Å; F111-C114 VanDerWaalsContact O-N 3.12Å; Q112-C114 PolarHBondContact O-N 2.97Å; C114-K117 PolarHBondContact O-N 2.98Å; C114-I118 WeakPolarHBondContact O-CB 3.35Å; C114-I118 WeakPolarHBondContact O-CG1 3.26Å; C114-I118 PolarHBondContact O-N 3.2Å
115	M	98.4	Very high	97.4	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-44.6	176.6	-65	-48.1	-61.6	0	0	111	I54 I56 V65 F111 Q112 K117 I118 K119 L132 F161 Q165 F167	I54-M115 HydrophobicContact CD1-CE 4.21Å; I56-M115 HydrophobicContact CD1-SD 4.23Å; V65-M115 HydrophobicContact CG1-SD 4.12Å; V65-M115 HydrophobicContact CG2-SD 4.46Å; F111-M115 WeakPolarHBondContact O-CG 3.37Å; F111-M115 PolarHBondContact O-N 3.14Å; Q112-M115 PolarHBondContact O-N 2.85Å; Q112-M115 VanDerWaalsContact O-N 3.07Å; M115-K117 PolarHBondContact O-N 3.31Å; M115-I118 PolarHBondContact O-N 3.25Å; M115-K119 WeakPolarHBondContact O-CB 3.34Å; M115-K119 PolarHBondContact O-N 2.63Å; M115-L132 HydrophobicContact CE-CD1 4Å; M115-L132 HydrophobicContact CE-CD2 3.97Å; M115-F161 HydrophobicContact CG-CE1 4.35Å; M115-F161 HydrophobicContact CG-CZ 4.46Å; M115-Q165 HydrophobicContact CE-CG 4.38Å; M115-Q165 HydrophobicContact CG-CG 4.4Å; M115-F167 HydrophobicContact CE-CD2 3.5Å; M115-F167 VanDerWaalsContact CE-CD2 3.5Å; M115-F167 HydrophobicContact CE-CE2 3.46Å; M115-F167 VanDerWaalsContact CE-CE2 3.46Å
116	D	97.8	Very high	97.3	Very high	75 Å²	75	58.9 Å²	58.9	40%	0.401	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-43	177.7	-65.4	-18.2	0	0	0	111.3	Q112 I118 K119 N120	Q112-D116 PolarHBondContact NE2-OD1 3.01Å; Q112-D116 VanDerWaalsContact O-CG 3.3Å; Q112-D116 PolarHBondContact O-N 2.99Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.99Å; D116-K119 PolarHBondContact O-N 3.01Å; D116-N120 PolarHBondContact O-N 3.38Å; D116-N120 PolarHBondContact O-ND2 3.01Å
117	K	97.4	Very high	97.3	Very high	93 Å²	93	54.8 Å²	54.8	40%	0.404	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-41.3	177	-173.6	-178.7	-176.1	-176.2	0	112.1	C87 D113 C114 M115 H121	C87-K117 HydrophobicContact CB-CD 4.43Å; D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 PolarHBondContact O-N 3.23Å; D113-K117 VanDerWaalsContact O-N 3.16Å; C114-K117 PolarHBondContact O-N 2.98Å; M115-K117 PolarHBondContact O-N 3.31Å; K117-H121 PolarHBondContact O-CE1 3.18Å; K117-H121 PolarHBondContact O-ND1 3.44Å
118	I	97.2	Very high	97.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.2	-41.3	179.9	-68.8	-73	0	0	0	110.4	I54 V65 L67 K85 C114 M115 D116 N120 H121 I122	I54-I118 HydrophobicContact CD1-CG2 3.91Å; I54-I118 HydrophobicContact CG1-CG2 4.12Å; V65-I118 HydrophobicContact CG1-CG1 3.96Å; L67-I118 HydrophobicContact CB-CD1 3.75Å; L67-I118 HydrophobicContact CB-CG2 3.85Å; L67-I118 HydrophobicContact CD1-CG2 4.16Å; L67-I118 HydrophobicContact CD2-CG2 4.15Å; L67-I118 HydrophobicContact CG-CG2 4.27Å; K85-I118 HydrophobicContact CB-CD1 3.88Å; K85-I118 HydrophobicContact CG-CD1 3.87Å; C114-I118 WeakPolarHBondContact O-CB 3.35Å; C114-I118 WeakPolarHBondContact O-CG1 3.26Å; C114-I118 PolarHBondContact O-N 3.2Å; M115-I118 PolarHBondContact O-N 3.25Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.99Å; I118-N120 PolarHBondContact O-N 2.83Å; I118-H121 PolarHBondContact O-N 3.07Å; I118-I122 HydrophobicContact CG2-CD1 4.15Å
119	K	97.1	Very high	96.9	Very high	61 Å²	61	63.3 Å²	63.3	27%	0.265	31%	0.307	S	S	.	.	H	α-helix	trans	-52.5	-40.4	176.3	-168.2	174.8	-174.1	175.8	0	112.6	M115 D116 H121 I122 H127 D166 F167	M115-K119 WeakPolarHBondContact O-CB 3.34Å; M115-K119 PolarHBondContact O-N 2.63Å; D116-K119 PolarHBondContact O-N 3.01Å; K119-H121 PolarHBondContact O-N 2.9Å; K119-H121 VanDerWaalsContact O-N 3.08Å; K119-I122 PolarHBondContact O-N 3.32Å; K119-I122 VanDerWaalsContact O-N 3.1Å; K119-H127 WeakPolarHBondContact CE-CE1 3.43Å; K119-H127 WeakPolarHBondContact CE-ND1 3.48Å; K119-H127 VanDerWaalsContact CG-CE1 3.49Å; K119-H127 WeakPolarHBondContact CG-CE1 3.31Å; K119-H127 PolarHBondContact O-NE2 2.87Å; K119-D166 WeakPolarHBondContact CE-OD2 3.49Å; K119-D166 IonicContact NZ-OD2 2.66Å; K119-D166 PolarHBondContact NZ-OD2 3.16Å; K119-F167 HydrophobicContact CB-CZ 3.83Å; K119-F167 HydrophobicContact CG-CZ 3.98Å
120	N	96.7	Very high	96.9	Very high	137 Å²	137	56.7 Å²	56.7	73%	0.733	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.1	178.3	-67	-22.9	0	0	0	114.9	D116 I118	D116-N120 PolarHBondContact O-N 3.38Å; D116-N120 PolarHBondContact O-ND2 3.01Å; I118-N120 PolarHBondContact O-N 2.83Å
121	H	96.9	Very high	96.8	Very high	63 Å²	63	56.7 Å²	56.7	29%	0.292	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	2.9	178	-63.6	70	0	0	0	112.7	L67 K117 I118 K119	L67-H121 HydrophobicContact CD2-CB 3.71Å; K117-H121 PolarHBondContact O-CE1 3.18Å; K117-H121 PolarHBondContact O-ND1 3.44Å; I118-H121 PolarHBondContact O-N 3.07Å; K119-H121 PolarHBondContact O-N 2.9Å; K119-H121 VanDerWaalsContact O-N 3.08Å
122	I	97.2	Very high	96.8	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.051	28%	0.278	C	S	.	.	S	Bend	trans	-116.6	133.8	-179.4	-53.9	164	0	0	0	107.9	F52 I54 L67 I118 K119 K126 H127 T130 F167	F52-I122 HydrophobicContact CB-CG2 4.45Å; F52-I122 HydrophobicContact CD1-CG1 4.29Å; F52-I122 HydrophobicContact CD1-CG2 4.49Å; F52-I122 HydrophobicContact CD2-CG2 3.99Å; F52-I122 HydrophobicContact CE2-CG2 4.4Å; F52-I122 HydrophobicContact CG-CG1 4.46Å; F52-I122 HydrophobicContact CG-CG2 4.04Å; I54-I122 HydrophobicContact CD1-CD1 4.08Å; L67-I122 HydrophobicContact CD1-CD1 3.7Å; L67-I122 HydrophobicContact CD1-CG1 3.82Å; L67-I122 HydrophobicContact CD2-CD1 4.36Å; L67-I122 HydrophobicContact CD2-CG1 3.8Å; L67-I122 HydrophobicContact CG-CG1 4.47Å; I118-I122 HydrophobicContact CG2-CD1 4.15Å; K119-I122 PolarHBondContact O-N 3.32Å; K119-I122 VanDerWaalsContact O-N 3.1Å; I122-K126 HydrophobicContact CG2-CB 3.79Å; I122-H127 PolarHBondContact O-NE2 2.79Å; I122-T130 HydrophobicContact CD1-CG2 4.21Å; I122-F167 HydrophobicContact CD1-CD1 4.46Å; I122-F167 HydrophobicContact CD1-CE1 3.52Å; I122-F167 HydrophobicContact CD1-CZ 3.99Å
123	P	96.1	Very high	96.8	Very high	50 Å²	50	54.4 Å²	54.4	33%	0.325	27%	0.267	S	S	.	.			trans	-56.6	142.4	171.6	-23.3	34	0	0	0	111.9	F52 E125 K126 H127	F52-P123 HydrophobicContact CE2-CG 4.16Å; F52-P123 HydrophobicContact CZ-CG 4.24Å; P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 VanDerWaalsContact CB-CD 3.44Å; P123-E125 HydrophobicContact CB-CG 4.34Å; P123-E125 WeakPolarHBondContact CB-OE1 3.33Å; P123-E125 VanDerWaalsContact CB-OE2 3.31Å; P123-E125 WeakPolarHBondContact CB-OE2 3.01Å; P123-E125 PolarHBondContact O-N 3.25Å; P123-K126 HydrophobicContact CB-CG 4.44Å; P123-K126 WeakPolarHBondContact O-CA 3.36Å; P123-K126 WeakPolarHBondContact O-CB 3.4Å; P123-K126 PolarHBondContact O-N 2.94Å; P123-H127 PolarHBondContact O-CD2 2.94Å; P123-H127 PolarHBondContact O-N 3.04Å; P123-H127 PolarHBondContact O-NE2 3.07Å
124	E	95.7	Very high	96.8	Very high	164 Å²	164	51 Å²	51	77%	0.766	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-58.4	-38.3	-174.4	-170.7	176.2	176.4	0	0	112.3	K126 H127	E124-K126 PolarHBondContact O-N 3.49Å; E124-H127 PolarHBondContact O-N 3.12Å
125	E	94.2	Very high	96.8	Very high	149 Å²	149	51 Å²	51	70%	0.696	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-63.9	-19.6	176.4	67.6	-87.4	-154	0	0	113.8	P123	P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 VanDerWaalsContact CB-CD 3.44Å; P123-E125 HydrophobicContact CB-CG 4.34Å; P123-E125 WeakPolarHBondContact CB-OE1 3.33Å; P123-E125 VanDerWaalsContact CB-OE2 3.31Å; P123-E125 WeakPolarHBondContact CB-OE2 3.01Å; P123-E125 PolarHBondContact O-N 3.25Å
126	K	95.4	Very high	96.7	Very high	14 Å²	14	51 Å²	51	6%	0.061	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-98.4	-8.1	179.9	-71	-61.7	-165.8	169.1	0	113.6	L50 E51 F52 I122 P123 E124 K128 T129 T130 E467	L50-K126 WeakPolarHBondContact O-CE 3.32Å; E51-K126 IonicContact OE1-NZ 2.94Å; E51-K126 PolarHBondContact OE1-NZ 2.91Å; E51-K126 IonicContact OE2-NZ 3.81Å; E51-K126 PolarHBondContact OE2-NZ 2.68Å; F52-K126 HydrophobicContact CD2-CB 4.07Å; F52-K126 HydrophobicContact CD2-CG 4.15Å; F52-K126 HydrophobicContact CE2-CB 4.36Å; F52-K126 HydrophobicContact CE2-CG 4.14Å; I122-K126 HydrophobicContact CG2-CB 3.79Å; P123-K126 HydrophobicContact CB-CG 4.44Å; P123-K126 WeakPolarHBondContact O-CA 3.36Å; P123-K126 WeakPolarHBondContact O-CB 3.4Å; P123-K126 PolarHBondContact O-N 2.94Å; E124-K126 PolarHBondContact O-N 3.49Å; K126-K128 PolarHBondContact O-N 2.85Å; K126-T129 PolarHBondContact O-N 3.04Å; K126-T129 PolarHBondContact O-OG1 3.33Å; K126-T130 WeakPolarHBondContact O-CB 3.19Å; K126-T130 PolarHBondContact O-N 2.03Å; K126-T130 PolarHBondContact O-OG1 2.98Å; K126-E467 IonicContact NZ-OE1 3.31Å; K126-E467 PolarHBondContact NZ-OE1 3.11Å; K126-E467 VanDerWaalsContact NZ-OE1 3.11Å; K126-E467 IonicContact NZ-OE2 3.04Å; K126-E467 PolarHBondContact NZ-OE2 3.45Å
127	H	96	Very high	96.7	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.069	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55.8	-56.2	-177.4	-70.8	175.7	0	0	0	111.2	K119 I122 P123 E124 T129 T130 D166 F167	K119-H127 WeakPolarHBondContact CE-CE1 3.43Å; K119-H127 WeakPolarHBondContact CE-ND1 3.48Å; K119-H127 VanDerWaalsContact CG-CE1 3.49Å; K119-H127 WeakPolarHBondContact CG-CE1 3.31Å; K119-H127 PolarHBondContact O-NE2 2.87Å; I122-H127 PolarHBondContact O-NE2 2.79Å; P123-H127 PolarHBondContact O-CD2 2.94Å; P123-H127 PolarHBondContact O-N 3.04Å; P123-H127 PolarHBondContact O-NE2 3.07Å; E124-H127 PolarHBondContact O-N 3.12Å; H127-T129 VanDerWaalsContact C-N 3.26Å; H127-T129 PolarHBondContact O-N 2.83Å; H127-T130 PolarHBondContact O-N 3.44Å; H127-D166 CarbonylContact C-O 3.58Å; H127-D166 VanDerWaalsContact C-O 3.24Å; H127-D166 WeakPolarHBondContact CB-O 3.46Å; H127-D166 IonicContact ND1-OD2 2.64Å; H127-F167 WeakPolarHBondContact O-CA 3.07Å; H127-F167 WeakPolarHBondContact O-CD1 3.42Å
128	K	95.2	Very high	96.6	Very high	161 Å²	161	43.3 Å²	43.3	70%	0.7	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-68.6	-17.9	-176.6	-65.1	-173.8	179.3	-179.8	0	115.3	K126	K126-K128 PolarHBondContact O-N 2.85Å
129	T	94.1	Very high	96.6	Very high	57 Å²	57	43.6 Å²	43.6	35%	0.35	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-100.5	-10.8	178.4	55.8	0	0	0	0	112.9	K126 H127 P131	K126-T129 PolarHBondContact O-N 3.04Å; K126-T129 PolarHBondContact O-OG1 3.33Å; H127-T129 VanDerWaalsContact C-N 3.26Å; H127-T129 PolarHBondContact O-N 2.83Å; T129-P131 VanDerWaalsContact O-CD 3.24Å; T129-P131 WeakPolarHBondContact O-CD 3.4Å
130	T	96.8	Very high	96.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.204	C	C	.	.	S	Bend	trans	-73.1	115.4	177.4	-63	0	0	0	0	109.7	F52 I54 I122 K126 H127 F167 Q168	F52-T130 HydrophobicContact CB-CG2 3.84Å; I54-T130 HydrophobicContact CD1-CG2 4Å; I54-T130 HydrophobicContact CG1-CG2 3.89Å; I122-T130 HydrophobicContact CD1-CG2 4.21Å; K126-T130 WeakPolarHBondContact O-CB 3.19Å; K126-T130 PolarHBondContact O-N 2.03Å; K126-T130 PolarHBondContact O-OG1 2.98Å; H127-T130 PolarHBondContact O-N 3.44Å; T130-F167 HydrophobicContact CG2-CD1 4.27Å; T130-Q168 PolarHBondContact O-N 3.14Å
131	P	97.3	Very high	96.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.4	178.7	31.3	-37.1	0	0	0	112	F52 I54 T129 F133 Q168 H170 I464	F52-P131 VanDerWaalsContact O-CD 3.23Å; F52-P131 WeakPolarHBondContact O-CD 3.38Å; I54-P131 PolarHBondContact N-O 2.75Å; T129-P131 VanDerWaalsContact O-CD 3.24Å; T129-P131 WeakPolarHBondContact O-CD 3.4Å; P131-F133 HydrophobicContact CB-CD2 4.46Å; P131-F133 HydrophobicContact CB-CE2 3.59Å; P131-F133 HydrophobicContact CB-CZ 3.92Å; P131-F133 HydrophobicContact CG-CE2 4.03Å; P131-Q168 CarbonylContact C-O 3.5Å; P131-Q168 VanDerWaalsContact CA-O 3.32Å; P131-Q168 WeakPolarHBondContact CA-O 3.3Å; P131-H170 WeakPolarHBondContact CB-CD2 3.14Å; P131-I464 HydrophobicContact CG-CD1 3.62Å; P131-I464 HydrophobicContact CG-CG1 4.29Å
132	L	98.1	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122	-179.2	171.3	60.6	0	0	0	110.3	I54 I56 M115 L162 Q165 F167 Q168 F169 H170	I54-L132 HydrophobicContact CB-CD1 3.8Å; I54-L132 HydrophobicContact CG2-CD1 3.49Å; I54-L132 VanDerWaalsContact CG2-CD1 3.49Å; I56-L132 HydrophobicContact CD1-CD1 4.08Å; I56-L132 HydrophobicContact CG1-CD1 4.21Å; M115-L132 HydrophobicContact CE-CD1 4Å; M115-L132 HydrophobicContact CE-CD2 3.97Å; L132-L162 HydrophobicContact CD2-CB 4.15Å; L132-L162 HydrophobicContact CD2-CD2 3.99Å; L132-L162 HydrophobicContact CG-CD2 4.5Å; L132-Q165 HydrophobicContact CD2-CB 4.22Å; L132-Q165 HydrophobicContact CD2-CG 4.37Å; L132-F167 HydrophobicContact CB-CB 4.02Å; L132-F167 HydrophobicContact CD2-CB 4.17Å; L132-F167 HydrophobicContact CD2-CD2 4.39Å; L132-Q168 PolarHBondContact N-O 3Å; L132-F169 HydrophobicContact CG-CD2 4.42Å; L132-H170 PolarHBondContact O-N 3Å
133	F	98.2	Very high	96.7	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.053	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150	179.2	-54.2	-87	0	0	0	111.5	I54 I56 P131 H170 K171 Y456 M457 M460	I54-F133 PolarHBondContact O-N 2.75Å; I56-F133 PolarHBondContact N-O 2.82Å; P131-F133 HydrophobicContact CB-CD2 4.46Å; P131-F133 HydrophobicContact CB-CE2 3.59Å; P131-F133 HydrophobicContact CB-CZ 3.92Å; P131-F133 HydrophobicContact CG-CE2 4.03Å; F133-H170 HydrophobicContact CD1-CB 3.71Å; F133-H170 HydrophobicContact CE1-CB 3.3Å; F133-H170 AromaticContact CE1-CG 3.78Å; F133-H170 HydrophobicContact CZ-CB 3.95Å; F133-H170 AromaticContact CZ-CG 3.96Å; F133-K171 CarbonylContact C-O 3.58Å; F133-K171 WeakPolarHBondContact CA-O 3.49Å; F133-K171 HydrophobicContact CD1-CB 4.31Å; F133-Y456 HydrophobicContact CB-CE1 3.85Å; F133-Y456 AromaticContact CD1-CE1 3.89Å; F133-Y456 HydrophobicContact CD1-CE1 3.89Å; F133-Y456 HydrophobicContact CD2-CE1 4.14Å; F133-Y456 HydrophobicContact CE1-CE1 4.46Å; F133-Y456 AromaticContact CG-CE1 3.71Å; F133-Y456 HydrophobicContact CG-CE1 3.71Å; F133-M457 HydrophobicContact CD2-CE 4.01Å; F133-M457 HydrophobicContact CE2-CE 4.08Å; F133-M460 HydrophobicContact CE1-CG 4.47Å; F133-M460 HydrophobicContact CE2-CB 4.49Å; F133-M460 HydrophobicContact CZ-CB 4.32Å; F133-M460 HydrophobicContact CZ-CG 4.25Å
134	L	98.3	Very high	96.8	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.8	167	-177.8	154.6	0	0	0	110.1	I56 A136 M155 L158 L162 K171 A172 S173	I56-L134 HydrophobicContact CB-CB 4Å; I56-L134 HydrophobicContact CB-CD1 4.1Å; I56-L134 HydrophobicContact CB-CG 3.94Å; I56-L134 HydrophobicContact CD1-CD1 4.26Å; I56-L134 HydrophobicContact CG2-CD1 3.83Å; I56-L134 HydrophobicContact CG2-CG 4.01Å; I56-L134 WeakPolarHBondContact O-CA 3.31Å; L134-A136 HydrophobicContact CD2-CB 4.35Å; L134-M155 HydrophobicContact CD2-CE 4.05Å; L134-L158 HydrophobicContact CD1-CD1 4.24Å; L134-L158 HydrophobicContact CD1-CD2 4.32Å; L134-L162 HydrophobicContact CB-CD1 3.77Å; L134-L162 HydrophobicContact CD1-CD1 3.82Å; L134-L162 HydrophobicContact CG-CD1 4.44Å; L134-K171 PolarHBondContact N-O 3.42Å; L134-A172 HydrophobicContact CB-CB 3.92Å; L134-A172 HydrophobicContact CD2-CB 4.28Å; L134-A172 WeakPolarHBondContact O-CA 3.42Å; L134-S173 PolarHBondContact O-N 3.13Å
135	G	98.2	Very high	96.8	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.3	169.7	0	0	0	0	0	110.5	I56 S58 S173	I56-G135 PolarHBondContact O-N 2.85Å; S58-G135 PolarHBondContact N-O 2.87Å; G135-S173 WeakPolarHBondContact CA-O 3.45Å
136	A	97.8	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.8	170.5	0	0	0	0	0	110.3	S58 I94 L134 M140 M155 S173 I174 I175	S58-A136 WeakPolarHBondContact O-CA 3.32Å; I94-A136 HydrophobicContact CD1-CB 3.68Å; L134-A136 HydrophobicContact CD2-CB 4.35Å; A136-M140 HydrophobicContact CB-CB 3.83Å; A136-M140 HydrophobicContact CB-CG 3.6Å; A136-M155 HydrophobicContact CB-SD 4.38Å; A136-S173 PolarHBondContact N-O 3.21Å; A136-I174 HydrophobicContact CB-CG1 4.29Å; A136-I174 CarbonylContact O-C 3.14Å; A136-I174 WeakPolarHBondContact O-CA 3.46Å; A136-I175 PolarHBondContact O-N 3Å
137	T	96.8	Very high	96.9	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	16%	0.161	C	C	.	.			trans	-107.3	-145.9	-172.7	75.6	0	0	0	0	112.9	S58 G59 G139 M140 R141 I175 E180 W452	S58-T137 PolarHBondContact O-N 3.25Å; S58-T137 VanDerWaalsContact O-N 3.16Å; G59-T137 WeakPolarHBondContact CA-OG1 3.43Å; T137-G139 PolarHBondContact O-N 2.65Å; T137-G139 VanDerWaalsContact O-N 3.1Å; T137-M140 PolarHBondContact O-N 3.31Å; T137-M140 VanDerWaalsContact O-N 3.1Å; T137-R141 PolarHBondContact O-N 3.34Å; T137-I175 HydrophobicContact CG2-CD1 3.95Å; T137-I175 HydrophobicContact CG2-CG1 4.12Å; T137-E180 VanDerWaalsContact CB-OE1 3.29Å; T137-E180 WeakPolarHBondContact CB-OE1 3.29Å; T137-E180 HydrophobicContact CG2-CG 4.34Å; T137-E180 WeakPolarHBondContact CG2-OE1 3.34Å; T137-W452 HydrophobicContact CG2-CZ2 4.49Å
138	A	96.3	Very high	97	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-53.1	-33.2	-172.2	0	0	0	0	0	115.2	M140 R141 L142 A221 S222 L256	A138-M140 VanDerWaalsContact C-N 3.35Å; A138-M140 PolarHBondContact O-N 3.37Å; A138-R141 PolarHBondContact O-N 3.35Å; A138-L142 WeakPolarHBondContact O-CG 3.19Å; A138-L142 PolarHBondContact O-N 2.94Å; A138-A221 HydrophobicContact CB-CB 3.56Å; A138-S222 WeakPolarHBondContact CB-OG 3.35Å; A138-L256 HydrophobicContact CB-CD1 3.72Å
139	G	95.9	Very high	97.1	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-42.9	178.1	0	0	0	0	0	112.7	T137 L143	T137-G139 PolarHBondContact O-N 2.65Å; T137-G139 VanDerWaalsContact O-N 3.1Å; G139-L143 PolarHBondContact O-N 2.9Å; G139-L143 VanDerWaalsContact O-N 3.1Å
140	M	97.9	Very high	97.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-75.6	-31.5	175.2	-73.6	-60.7	-66.2	0	0	112.4	I94 S95 A136 T137 A138 L142 L143 E144 A151 I154 M155 I174	I94-M140 HydrophobicContact CD1-CG 3.57Å; I94-M140 HydrophobicContact CD1-SD 4.07Å; I94-M140 HydrophobicContact CG1-CG 3.8Å; I94-M140 HydrophobicContact CG1-SD 3.97Å; S95-M140 VanDerWaalsContact CA-SD 3.55Å; A136-M140 HydrophobicContact CB-CB 3.83Å; A136-M140 HydrophobicContact CB-CG 3.6Å; T137-M140 PolarHBondContact O-N 3.31Å; T137-M140 VanDerWaalsContact O-N 3.1Å; A138-M140 VanDerWaalsContact C-N 3.35Å; A138-M140 PolarHBondContact O-N 3.37Å; M140-L142 VanDerWaalsContact C-N 3.33Å; M140-L142 PolarHBondContact O-N 2.94Å; M140-L143 HydrophobicContact CE-CD2 4.1Å; M140-L143 PolarHBondContact O-N 2.64Å; M140-L143 HydrophobicContact SD-CD2 3.9Å; M140-E144 WeakPolarHBondContact O-CB 3.42Å; M140-E144 PolarHBondContact O-N 2.97Å; M140-A151 HydrophobicContact CE-CB 4.01Å; M140-I154 HydrophobicContact CE-CB 4.27Å; M140-I154 HydrophobicContact CE-CG2 4.13Å; M140-I154 HydrophobicContact SD-CG2 4.47Å; M140-M155 HydrophobicContact CE-CG 3.91Å; M140-M155 HydrophobicContact CE-SD 3.99Å; M140-I174 HydrophobicContact CB-CD1 3.88Å; M140-I174 HydrophobicContact CB-CG1 3.86Å; M140-I174 HydrophobicContact CB-CG2 4.22Å; M140-I174 HydrophobicContact CE-CD1 4.34Å
141	R	98.3	Very high	97.4	Very high	24 Å²	24	38.4 Å²	38.4	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-44.8	171	-65.9	-174.7	-90.5	151.5	-4	111.3	T137 A138 E144 M145 I174 E180 S222 S254 L256	T137-R141 PolarHBondContact O-N 3.34Å; A138-R141 PolarHBondContact O-N 3.35Å; R141-E144 PolarHBondContact O-N 3.11Å; R141-M145 HydrophobicContact CB-CE 4.45Å; R141-M145 WeakPolarHBondContact O-CG 3.04Å; R141-M145 PolarHBondContact O-N 3.47Å; R141-I174 HydrophobicContact CB-CG2 4.48Å; R141-I174 HydrophobicContact CG-CG2 3.48Å; R141-I174 VanDerWaalsContact CG-CG2 3.48Å; R141-E180 IonicContact CZ-OE2 3.83Å; R141-E180 IonicContact NH2-OE2 2.78Å; R141-E180 PolarHBondContact NH2-OE2 2.83Å; R141-S222 PolarHBondContact NH2-OG 2.83Å; R141-S254 PolarHBondContact NH1-OG 3.28Å; R141-S254 VanDerWaalsContact NH1-OG 3.15Å; R141-S254 PolarHBondContact NH2-OG 2.84Å; R141-L256 HydrophobicContact CB-CD1 4.39Å; R141-L256 HydrophobicContact CB-CD2 4.43Å
142	L	97.1	Very high	97.4	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-41.3	175.5	-67.8	179	0	0	0	112.2	A138 M140 M145 K146 A221 L256 E262 V303 C304	A138-L142 WeakPolarHBondContact O-CG 3.19Å; A138-L142 PolarHBondContact O-N 2.94Å; M140-L142 VanDerWaalsContact C-N 3.33Å; M140-L142 PolarHBondContact O-N 2.94Å; L142-M145 PolarHBondContact O-N 3.45Å; L142-K146 WeakPolarHBondContact O-CB 3.4Å; L142-K146 PolarHBondContact O-N 2.57Å; L142-K146 VanDerWaalsContact O-N 3.11Å; L142-A221 HydrophobicContact CD1-CB 3.64Å; L142-L256 HydrophobicContact CD2-CD1 3.93Å; L142-L256 HydrophobicContact CD2-CD2 3.91Å; L142-L256 HydrophobicContact CD2-CG 3.83Å; L142-L256 HydrophobicContact CG-CD1 4.08Å; L142-E262 HydrophobicContact CD1-CG 3.97Å; L142-V303 HydrophobicContact CB-CG2 4.44Å; L142-V303 HydrophobicContact CD2-CG2 3.53Å; L142-C304 VanDerWaalsContact CD2-SG 3.52Å
143	L	96.9	Very high	97.4	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-43.4	177.2	-179.4	64.6	0	0	0	111.5	G139 M140 M145 K146 D147 R150 A151 I154	G139-L143 PolarHBondContact O-N 2.9Å; G139-L143 VanDerWaalsContact O-N 3.1Å; M140-L143 HydrophobicContact CE-CD2 4.1Å; M140-L143 PolarHBondContact O-N 2.64Å; M140-L143 HydrophobicContact SD-CD2 3.9Å; L143-M145 VanDerWaalsContact C-N 3.3Å; L143-M145 PolarHBondContact O-N 2.66Å; L143-K146 PolarHBondContact O-N 3.27Å; L143-D147 HydrophobicContact CD1-CB 4.35Å; L143-D147 CarbonylContact O-C 3.45Å; L143-D147 PolarHBondContact O-N 3.01Å; L143-R150 HydrophobicContact CD2-CG 4.38Å; L143-A151 HydrophobicContact CD2-CB 4.19Å; L143-A151 HydrophobicContact CG-CB 4.09Å; L143-I154 HydrophobicContact CD2-CD1 3.55Å
144	E	97.5	Very high	97.4	Very high	76 Å²	76	47 Å²	47	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-59.3	-41.1	178.7	-175.6	174.6	-120.2	0	0	111.7	M140 R141 K146 E148 A151 I174	M140-E144 WeakPolarHBondContact O-CB 3.42Å; M140-E144 PolarHBondContact O-N 2.97Å; R141-E144 PolarHBondContact O-N 3.11Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.26Å; E144-E148 HydrophobicContact CG-CG 4.39Å; E144-E148 WeakPolarHBondContact O-CA 3.45Å; E144-E148 PolarHBondContact O-N 3.16Å; E144-A151 HydrophobicContact CB-CB 3.97Å; E144-A151 HydrophobicContact CG-CB 4.49Å; E144-I174 HydrophobicContact CB-CD1 4.24Å
145	M	96.7	Very high	97.4	Very high	119 Å²	119	46.9 Å²	46.9	59%	0.586	22%	0.22	S	C	*	.	H	α-helix	trans	-66.9	-32.4	174	-65.7	174.9	-157.2	0	0	113.2	R141 L142 L143 L256 V303	R141-M145 HydrophobicContact CB-CE 4.45Å; R141-M145 WeakPolarHBondContact O-CG 3.04Å; R141-M145 PolarHBondContact O-N 3.47Å; L142-M145 PolarHBondContact O-N 3.45Å; L143-M145 VanDerWaalsContact C-N 3.3Å; L143-M145 PolarHBondContact O-N 2.66Å; M145-L256 HydrophobicContact CE-CD2 3.24Å; M145-L256 HydrophobicContact SD-CD2 3.85Å; M145-V303 HydrophobicContact CB-CG1 4.39Å; M145-V303 HydrophobicContact CB-CG2 4.36Å; M145-V303 HydrophobicContact SD-CG2 4.5Å
146	K	94.8	Very high	97.4	Very high	111 Å²	111	47.8 Å²	47.8	48%	0.483	23%	0.23	S	C	.	.	H	α-helix	trans	-83.3	-43.1	-177.3	-171.9	178.9	176.6	-179.7	0	112.7	L142 L143 E144 D301 V303	L142-K146 WeakPolarHBondContact O-CB 3.4Å; L142-K146 PolarHBondContact O-N 2.57Å; L142-K146 VanDerWaalsContact O-N 3.11Å; L143-K146 PolarHBondContact O-N 3.27Å; E144-K146 VanDerWaalsContact C-N 3.33Å; E144-K146 PolarHBondContact O-N 3.26Å; K146-D301 PolarHBondContact NZ-O 3.37Å; K146-V303 HydrophobicContact CB-CG1 3.72Å; K146-V303 HydrophobicContact CG-CG1 4.21Å
147	D	96.9	Very high	97.5	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.364	25%	0.246	S	C	.	.			trans	-156	78.9	-172	-173.6	-12.3	0	0	0	109.5	L143 K149 R150 A151	L143-D147 HydrophobicContact CD1-CB 4.35Å; L143-D147 CarbonylContact O-C 3.45Å; L143-D147 PolarHBondContact O-N 3.01Å; D147-K149 PolarHBondContact O-N 3.13Å; D147-K149 PolarHBondContact OD1-N 3.43Å; D147-R150 HydrophobicContact CB-CB 4.08Å; D147-R150 PolarHBondContact O-N 3.38Å; D147-R150 WeakPolarHBondContact OD1-CB 3.11Å; D147-R150 PolarHBondContact OD1-N 2.76Å; D147-R150 VanDerWaalsContact OD2-CB 3.27Å; D147-R150 WeakPolarHBondContact OD2-CB 3.24Å; D147-A151 PolarHBondContact O-N 3.18Å
148	E	97.4	Very high	97.5	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	25%	0.245	S	C	*	.	H	α-helix	trans	-55.2	-37.6	180	-171.1	-172	170	0	0	112.4	E144 A151 N152	E144-E148 HydrophobicContact CG-CG 4.39Å; E144-E148 WeakPolarHBondContact O-CA 3.45Å; E144-E148 PolarHBondContact O-N 3.16Å; E148-A151 PolarHBondContact O-N 2.81Å; E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.43Å; E148-N152 PolarHBondContact O-ND2 3.24Å
149	K	98.2	Very high	97.6	Very high	179 Å²	179	55.9 Å²	55.9	78%	0.778	26%	0.261	S	S	*	.	H	α-helix	trans	-63.8	-45.1	179.8	-71.3	-178.3	-179.8	176.6	0	111	D147 K153	D147-K149 PolarHBondContact O-N 3.13Å; D147-K149 PolarHBondContact OD1-N 3.43Å; K149-K153 WeakPolarHBondContact O-CB 3.3Å; K149-K153 PolarHBondContact O-N 3.38Å
150	R	97.8	Very high	97.8	Very high	42 Å²	42	60.1 Å²	60.1	16%	0.158	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-43.7	176.7	-178	175.1	163	-146.7	-10.4	111.5	S95 E96 L97 E98 L143 D147 N152 K153 I154	S95-R150 PolarHBondContact O-NH2 2.74Å; E96-R150 PolarHBondContact O-NH2 2.83Å; L97-R150 PolarHBondContact O-NE 3.45Å; L97-R150 PolarHBondContact O-NH2 2.77Å; E98-R150 HydrophobicContact CB-CG 3.95Å; E98-R150 HydrophobicContact CG-CG 4.36Å; L143-R150 HydrophobicContact CD2-CG 4.38Å; D147-R150 HydrophobicContact CB-CB 4.08Å; D147-R150 PolarHBondContact O-N 3.38Å; D147-R150 WeakPolarHBondContact OD1-CB 3.11Å; D147-R150 PolarHBondContact OD1-N 2.76Å; D147-R150 VanDerWaalsContact OD2-CB 3.27Å; D147-R150 WeakPolarHBondContact OD2-CB 3.24Å; R150-N152 VanDerWaalsContact C-N 3.35Å; R150-N152 PolarHBondContact O-N 3.4Å; R150-K153 PolarHBondContact O-N 2.71Å; R150-I154 HydrophobicContact CG-CD1 3.89Å; R150-I154 VanDerWaalsContact O-CG1 3.32Å; R150-I154 WeakPolarHBondContact O-CG1 2.97Å; R150-I154 PolarHBondContact O-N 3.46Å
151	A	98.3	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.6	-48.6	175.6	0	0	0	0	0	111.7	M140 L143 E144 D147 E148 K153 I154 M155	M140-A151 HydrophobicContact CE-CB 4.01Å; L143-A151 HydrophobicContact CD2-CB 4.19Å; L143-A151 HydrophobicContact CG-CB 4.09Å; E144-A151 HydrophobicContact CB-CB 3.97Å; E144-A151 HydrophobicContact CG-CB 4.49Å; D147-A151 PolarHBondContact O-N 3.18Å; E148-A151 PolarHBondContact O-N 2.81Å; A151-K153 PolarHBondContact O-N 2.91Å; A151-I154 PolarHBondContact O-N 2.89Å; A151-M155 WeakPolarHBondContact O-CG 3.15Å; A151-M155 PolarHBondContact O-N 3.33Å
152	N	98.1	Very high	97.8	Very high	76 Å²	76	60.2 Å²	60.2	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-39.7	177.7	-80.6	-36.8	0	0	0	112.8	E148 R150 M155 G156	E148-N152 WeakPolarHBondContact O-CB 3.42Å; E148-N152 PolarHBondContact O-N 3.43Å; E148-N152 PolarHBondContact O-ND2 3.24Å; R150-N152 VanDerWaalsContact C-N 3.35Å; R150-N152 PolarHBondContact O-N 3.4Å; N152-M155 PolarHBondContact O-N 3.49Å; N152-G156 PolarHBondContact O-N 2.92Å
153	K	98.4	Very high	97.8	Very high	116 Å²	116	62.6 Å²	62.6	50%	0.504	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.1	-171.4	-179.3	-178	-164.5	0	112	E98 K149 R150 A151 G156 K157	E98-K153 HydrophobicContact CG-CD 4.21Å; E98-K153 WeakPolarHBondContact OE2-CD 3.12Å; E98-K153 WeakPolarHBondContact OE2-CE 3.49Å; E98-K153 IonicContact OE2-NZ 2.67Å; E98-K153 PolarHBondContact OE2-NZ 3.05Å; K149-K153 WeakPolarHBondContact O-CB 3.3Å; K149-K153 PolarHBondContact O-N 3.38Å; R150-K153 PolarHBondContact O-N 2.71Å; A151-K153 PolarHBondContact O-N 2.91Å; K153-G156 PolarHBondContact O-N 2.83Å; K153-K157 PolarHBondContact O-N 3.31Å
154	I	98.4	Very high	97.8	Very high	2 Å²	2	70 Å²	70	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-49.2	176.8	-68.6	162.8	0	0	0	110.5	I94 L97 E98 M140 L143 R150 A151 G156 K157 L158	I94-I154 HydrophobicContact CB-CG2 4.47Å; L97-I154 HydrophobicContact CB-CD1 4.01Å; L97-I154 HydrophobicContact CB-CG1 3.93Å; L97-I154 HydrophobicContact CB-CG2 4.39Å; L97-I154 HydrophobicContact CD1-CG2 4Å; L97-I154 WeakPolarHBondContact O-CD1 3.16Å; E98-I154 HydrophobicContact CB-CG1 4.44Å; E98-I154 HydrophobicContact CG-CD1 4.22Å; E98-I154 HydrophobicContact CG-CG1 3.57Å; M140-I154 HydrophobicContact CE-CB 4.27Å; M140-I154 HydrophobicContact CE-CG2 4.13Å; M140-I154 HydrophobicContact SD-CG2 4.47Å; L143-I154 HydrophobicContact CD2-CD1 3.55Å; R150-I154 HydrophobicContact CG-CD1 3.89Å; R150-I154 VanDerWaalsContact O-CG1 3.32Å; R150-I154 WeakPolarHBondContact O-CG1 2.97Å; R150-I154 PolarHBondContact O-N 3.46Å; A151-I154 PolarHBondContact O-N 2.89Å; I154-G156 VanDerWaalsContact C-N 3.28Å; I154-G156 PolarHBondContact O-N 3.5Å; I154-K157 PolarHBondContact O-N 3.09Å; I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 WeakPolarHBondContact O-CG 3.14Å; I154-L158 PolarHBondContact O-N 3.19Å
155	M	98.5	Very high	97.8	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-35.4	178.5	-67.8	-54.5	-61.3	0	0	112.1	L134 A136 M140 A151 N152 L158 R159 A172 I174	L134-M155 HydrophobicContact CD2-CE 4.05Å; A136-M155 HydrophobicContact CB-SD 4.38Å; M140-M155 HydrophobicContact CE-CG 3.91Å; M140-M155 HydrophobicContact CE-SD 3.99Å; A151-M155 WeakPolarHBondContact O-CG 3.15Å; A151-M155 PolarHBondContact O-N 3.33Å; N152-M155 PolarHBondContact O-N 3.49Å; M155-L158 PolarHBondContact O-N 2.81Å; M155-L158 HydrophobicContact SD-CD1 4.21Å; M155-R159 VanDerWaalsContact O-CG 3.25Å; M155-R159 WeakPolarHBondContact O-CG 3.37Å; M155-R159 PolarHBondContact O-N 2.7Å; M155-A172 HydrophobicContact CE-CB 4.13Å; M155-I174 HydrophobicContact CG-CD1 4.48Å; M155-I174 HydrophobicContact CG-CG1 4.33Å; M155-I174 HydrophobicContact SD-CG1 4.29Å
156	G	98.4	Very high	97.8	Very high	22 Å²	22	64.8 Å²	64.8	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-52.6	171.6	0	0	0	0	0	112.4	N152 K153 I154 L158 R159 D160	N152-G156 PolarHBondContact O-N 2.92Å; K153-G156 PolarHBondContact O-N 2.83Å; I154-G156 VanDerWaalsContact C-N 3.28Å; I154-G156 PolarHBondContact O-N 3.5Å; G156-L158 VanDerWaalsContact C-N 3.29Å; G156-L158 PolarHBondContact O-N 2.87Å; G156-R159 WeakPolarHBondContact O-CB 3.44Å; G156-R159 PolarHBondContact O-N 2.85Å; G156-R159 VanDerWaalsContact O-N 3.13Å; G156-D160 PolarHBondContact O-N 2.79Å
157	K	98.3	Very high	97.9	Very high	79 Å²	79	60.3 Å²	60.3	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-38.7	177.2	-74	-172.6	172.4	178.1	0	113	E98 F108 K153 I154 D160 F161	E98-K157 WeakPolarHBondContact OE1-CD 3.23Å; E98-K157 WeakPolarHBondContact OE1-CE 3.47Å; E98-K157 IonicContact OE1-NZ 2.75Å; E98-K157 PolarHBondContact OE1-NZ 2.88Å; E98-K157 IonicContact OE2-NZ 2.88Å; F108-K157 HydrophobicContact CE2-CD 4.49Å; F108-K157 HydrophobicContact CZ-CB 3.81Å; F108-K157 HydrophobicContact CZ-CD 4.47Å; K153-K157 PolarHBondContact O-N 3.31Å; I154-K157 PolarHBondContact O-N 3.09Å; K157-D160 PolarHBondContact O-N 3.1Å; K157-F161 WeakPolarHBondContact O-CB 3.42Å; K157-F161 PolarHBondContact O-N 2.79Å
158	L	98.4	Very high	97.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-42.9	175.9	-74.1	168.3	0	0	0	111.4	I94 F108 F111 L134 I154 M155 G156 D160 F161 L162	I94-L158 HydrophobicContact CB-CD1 4.37Å; I94-L158 HydrophobicContact CD1-CD1 3.93Å; I94-L158 HydrophobicContact CG2-CD1 4.25Å; F108-L158 HydrophobicContact CE1-CD2 4Å; F108-L158 HydrophobicContact CZ-CD2 4.29Å; F111-L158 HydrophobicContact CD2-CD2 4.47Å; F111-L158 HydrophobicContact CE2-CD2 4.03Å; F111-L158 HydrophobicContact CZ-CD2 4.34Å; L134-L158 HydrophobicContact CD1-CD1 4.24Å; L134-L158 HydrophobicContact CD1-CD2 4.32Å; I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 WeakPolarHBondContact O-CG 3.14Å; I154-L158 PolarHBondContact O-N 3.19Å; M155-L158 PolarHBondContact O-N 2.81Å; M155-L158 HydrophobicContact SD-CD1 4.21Å; G156-L158 VanDerWaalsContact C-N 3.29Å; G156-L158 PolarHBondContact O-N 2.87Å; L158-D160 PolarHBondContact O-N 3.29Å; L158-F161 PolarHBondContact O-N 3.43Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.17Å; L158-L162 PolarHBondContact O-N 3.4Å
159	R	98.6	Very high	97.9	Very high	95 Å²	95	58.3 Å²	58.3	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-47.4	174.1	-71.9	169.8	-168.8	132.8	1.9	111.2	M155 G156 F161 L162 S163 F169 A172	M155-R159 VanDerWaalsContact O-CG 3.25Å; M155-R159 WeakPolarHBondContact O-CG 3.37Å; M155-R159 PolarHBondContact O-N 2.7Å; G156-R159 WeakPolarHBondContact O-CB 3.44Å; G156-R159 PolarHBondContact O-N 2.85Å; G156-R159 VanDerWaalsContact O-N 3.13Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 3.29Å; R159-L162 PolarHBondContact O-N 3.13Å; R159-S163 VanDerWaalsContact O-CB 3.32Å; R159-S163 WeakPolarHBondContact O-CB 3.2Å; R159-S163 PolarHBondContact O-N 3.2Å; R159-S163 PolarHBondContact O-OG 3.39Å; R159-F169 HydrophobicContact CB-CE1 4.42Å; R159-F169 HydrophobicContact CB-CZ 4.29Å; R159-F169 HydrophobicContact CG-CE1 4.46Å; R159-F169 HydrophobicContact CG-CZ 4.02Å; R159-A172 HydrophobicContact CG-CB 3.82Å; R159-A172 PolarHBondContact NE-O 3.09Å; R159-A172 VanDerWaalsContact NE-O 3.13Å; R159-A172 PolarHBondContact NH2-O 2.94Å
160	D	98.3	Very high	97.8	Very high	96 Å²	96	54.2 Å²	54.2	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-63.8	-36.2	178.9	-67.6	-16.4	0	0	0	112.8	G156 K157 L158 S163 K164	G156-D160 PolarHBondContact O-N 2.79Å; K157-D160 PolarHBondContact O-N 3.1Å; L158-D160 PolarHBondContact O-N 3.29Å; D160-S163 PolarHBondContact O-OG 2.86Å; D160-K164 VanDerWaalsContact O-CD 3.28Å; D160-K164 WeakPolarHBondContact O-CD 3.49Å; D160-K164 VanDerWaalsContact O-CG 3.29Å; D160-K164 WeakPolarHBondContact O-CG 3.12Å
161	F	98.3	Very high	97.6	Very high	29 Å²	29	57 Å²	57	13%	0.127	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-46.3	175.4	170	-94.7	0	0	0	111.5	F108 F111 Q112 M115 K157 L158 R159 K164 Q165	F108-F161 HydrophobicContact CD1-CB 4.15Å; F108-F161 AromaticContact CD1-CD2 3.95Å; F108-F161 HydrophobicContact CD1-CD2 3.95Å; F108-F161 AromaticContact CD1-CG 3.95Å; F108-F161 HydrophobicContact CD1-CG 3.95Å; F108-F161 HydrophobicContact CE1-CB 3.89Å; F108-F161 HydrophobicContact CE1-CG 4.15Å; F111-F161 HydrophobicContact CB-CE1 3.69Å; F111-F161 HydrophobicContact CB-CZ 3.76Å; F111-F161 HydrophobicContact CG-CE1 4.46Å; Q112-F161 HydrophobicContact CB-CE2 4.34Å; Q112-F161 HydrophobicContact CB-CZ 4.27Å; M115-F161 HydrophobicContact CG-CE1 4.35Å; M115-F161 HydrophobicContact CG-CZ 4.46Å; K157-F161 WeakPolarHBondContact O-CB 3.42Å; K157-F161 PolarHBondContact O-N 2.79Å; L158-F161 PolarHBondContact O-N 3.43Å; R159-F161 VanDerWaalsContact C-N 3.32Å; R159-F161 PolarHBondContact O-N 3.29Å; F161-K164 PolarHBondContact O-N 3.5Å; F161-Q165 PolarHBondContact O-NE2 3.48Å
162	L	98.3	Very high	97.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-34.3	-176.5	-65.6	173	0	0	0	112.3	I56 L132 L134 L158 R159 K164 Q165 F169 A172	I56-L162 HydrophobicContact CD1-CD1 4.32Å; I56-L162 HydrophobicContact CD1-CD2 3.46Å; I56-L162 VanDerWaalsContact CD1-CD2 3.46Å; L132-L162 HydrophobicContact CD2-CB 4.15Å; L132-L162 HydrophobicContact CD2-CD2 3.99Å; L132-L162 HydrophobicContact CG-CD2 4.5Å; L134-L162 HydrophobicContact CB-CD1 3.77Å; L134-L162 HydrophobicContact CD1-CD1 3.82Å; L134-L162 HydrophobicContact CG-CD1 4.44Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.17Å; L158-L162 PolarHBondContact O-N 3.4Å; R159-L162 PolarHBondContact O-N 3.13Å; L162-K164 PolarHBondContact O-N 3.12Å; L162-Q165 WeakPolarHBondContact O-CB 3.43Å; L162-Q165 WeakPolarHBondContact O-CG 3.26Å; L162-Q165 PolarHBondContact O-N 3.11Å; L162-Q165 VanDerWaalsContact O-N 3.15Å; L162-F169 HydrophobicContact CB-CD2 3.63Å; L162-F169 HydrophobicContact CB-CE2 3.74Å; L162-F169 HydrophobicContact CB-CG 4.33Å; L162-F169 HydrophobicContact CD1-CD2 4.42Å; L162-F169 HydrophobicContact CD1-CE2 3.89Å; L162-F169 HydrophobicContact CG-CE2 4.5Å; L162-A172 HydrophobicContact CD1-CB 4.22Å
163	S	97.9	Very high	97.5	Very high	67 Å²	67	54.4 Å²	54.4	47%	0.469	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.6	177	71.1	0	0	0	0	113.6	R159 D160	R159-S163 VanDerWaalsContact O-CB 3.32Å; R159-S163 WeakPolarHBondContact O-CB 3.2Å; R159-S163 PolarHBondContact O-N 3.2Å; R159-S163 PolarHBondContact O-OG 3.39Å; D160-S163 PolarHBondContact O-OG 2.86Å
164	K	97.6	Very high	97.5	Very high	167 Å²	167	50.5 Å²	50.5	73%	0.726	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-8	176.1	-70.1	169.5	-175.4	167	0	113	D160 F161 L162	D160-K164 VanDerWaalsContact O-CD 3.28Å; D160-K164 WeakPolarHBondContact O-CD 3.49Å; D160-K164 VanDerWaalsContact O-CG 3.29Å; D160-K164 WeakPolarHBondContact O-CG 3.12Å; F161-K164 PolarHBondContact O-N 3.5Å; L162-K164 PolarHBondContact O-N 3.12Å
165	Q	97.3	Very high	97.4	Very high	24 Å²	24	50.6 Å²	50.6	11%	0.112	25%	0.248	C	C	.	.	S	Bend	trans	-73.5	155.2	176.4	-54.8	-59.3	-50.6	0	0	110	M115 L132 F161 L162 F167	M115-Q165 HydrophobicContact CE-CG 4.38Å; M115-Q165 HydrophobicContact CG-CG 4.4Å; L132-Q165 HydrophobicContact CD2-CB 4.22Å; L132-Q165 HydrophobicContact CD2-CG 4.37Å; F161-Q165 PolarHBondContact O-NE2 3.48Å; L162-Q165 WeakPolarHBondContact O-CB 3.43Å; L162-Q165 WeakPolarHBondContact O-CG 3.26Å; L162-Q165 PolarHBondContact O-N 3.11Å; L162-Q165 VanDerWaalsContact O-N 3.15Å; Q165-F167 HydrophobicContact CB-CD2 3.91Å; Q165-F167 PolarHBondContact O-N 2.89Å
166	D	95.3	Very high	97.4	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	27%	0.265	S	S	.	.	S	Bend	trans	-80.8	46.8	179.6	-164.4	23.8	0	0	0	111.8	K119 H127	K119-D166 WeakPolarHBondContact CE-OD2 3.49Å; K119-D166 IonicContact NZ-OD2 2.66Å; K119-D166 PolarHBondContact NZ-OD2 3.16Å; H127-D166 CarbonylContact C-O 3.58Å; H127-D166 VanDerWaalsContact C-O 3.24Å; H127-D166 WeakPolarHBondContact CB-O 3.46Å; H127-D166 IonicContact ND1-OD2 2.64Å
167	F	97.4	Very high	97.2	Very high	16 Å²	16	52.6 Å²	52.6	7%	0.07	26%	0.256	C	S	.	.	S	Bend	trans	-136.4	160.7	-178.1	-61.6	-62.4	0	0	0	109.8	I54 M115 K119 I122 H127 T130 L132 Q165 F169	I54-F167 HydrophobicContact CD1-CD1 3.79Å; I54-F167 HydrophobicContact CD1-CD2 3.86Å; I54-F167 HydrophobicContact CD1-CE1 3.75Å; I54-F167 HydrophobicContact CD1-CE2 3.83Å; I54-F167 HydrophobicContact CD1-CG 3.84Å; I54-F167 HydrophobicContact CD1-CZ 3.76Å; M115-F167 HydrophobicContact CE-CD2 3.5Å; M115-F167 VanDerWaalsContact CE-CD2 3.5Å; M115-F167 HydrophobicContact CE-CE2 3.46Å; M115-F167 VanDerWaalsContact CE-CE2 3.46Å; K119-F167 HydrophobicContact CB-CZ 3.83Å; K119-F167 HydrophobicContact CG-CZ 3.98Å; I122-F167 HydrophobicContact CD1-CD1 4.46Å; I122-F167 HydrophobicContact CD1-CE1 3.52Å; I122-F167 HydrophobicContact CD1-CZ 3.99Å; H127-F167 WeakPolarHBondContact O-CA 3.07Å; H127-F167 WeakPolarHBondContact O-CD1 3.42Å; T130-F167 HydrophobicContact CG2-CD1 4.27Å; L132-F167 HydrophobicContact CB-CB 4.02Å; L132-F167 HydrophobicContact CD2-CB 4.17Å; L132-F167 HydrophobicContact CD2-CD2 4.39Å; Q165-F167 HydrophobicContact CB-CD2 3.91Å; Q165-F167 PolarHBondContact O-N 2.89Å; F167-F169 PolarHBondContact O-N 3.31Å
168	Q	96.3	Very high	97.1	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	90.6	174.7	-168.6	-175.1	27.6	0	0	109.7	T130 P131 L132 H170	T130-Q168 PolarHBondContact O-N 3.14Å; P131-Q168 CarbonylContact C-O 3.5Å; P131-Q168 VanDerWaalsContact CA-O 3.32Å; P131-Q168 WeakPolarHBondContact CA-O 3.3Å; L132-Q168 PolarHBondContact N-O 3Å; Q168-H170 PolarHBondContact O-CD2 3.38Å; Q168-H170 PolarHBondContact O-N 3.32Å; Q168-H170 PolarHBondContact OE1-NE2 2.88Å
169	F	97.5	Very high	97	Very high	60 Å²	60	53.2 Å²	53.2	26%	0.263	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	121.5	175.7	176.9	-115	0	0	0	111.3	L132 R159 L162 F167 A172	L132-F169 HydrophobicContact CG-CD2 4.42Å; R159-F169 HydrophobicContact CB-CE1 4.42Å; R159-F169 HydrophobicContact CB-CZ 4.29Å; R159-F169 HydrophobicContact CG-CE1 4.46Å; R159-F169 HydrophobicContact CG-CZ 4.02Å; L162-F169 HydrophobicContact CB-CD2 3.63Å; L162-F169 HydrophobicContact CB-CE2 3.74Å; L162-F169 HydrophobicContact CB-CG 4.33Å; L162-F169 HydrophobicContact CD1-CD2 4.42Å; L162-F169 HydrophobicContact CD1-CE2 3.89Å; L162-F169 HydrophobicContact CG-CE2 4.5Å; F167-F169 PolarHBondContact O-N 3.31Å; F169-A172 HydrophobicContact CE2-CB 4.03Å; F169-A172 HydrophobicContact CZ-CB 3.91Å
170	H	95.7	Very high	97	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.426	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-59	179.6	-83.5	-88.9	0	0	0	112.5	P131 L132 F133 Q168	P131-H170 WeakPolarHBondContact CB-CD2 3.14Å; L132-H170 PolarHBondContact O-N 3Å; F133-H170 HydrophobicContact CD1-CB 3.71Å; F133-H170 HydrophobicContact CE1-CB 3.3Å; F133-H170 AromaticContact CE1-CG 3.78Å; F133-H170 HydrophobicContact CZ-CB 3.95Å; F133-H170 AromaticContact CZ-CG 3.96Å; Q168-H170 PolarHBondContact O-CD2 3.38Å; Q168-H170 PolarHBondContact O-N 3.32Å; Q168-H170 PolarHBondContact OE1-NE2 2.88Å
171	K	94.4	Very high	96.9	Very high	100 Å²	100	44.7 Å²	44.7	44%	0.435	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.9	-170.8	-166.7	-179.6	-176.4	-168	0	112	F133 L134 S173	F133-K171 CarbonylContact C-O 3.58Å; F133-K171 WeakPolarHBondContact CA-O 3.49Å; F133-K171 HydrophobicContact CD1-CB 4.31Å; L134-K171 PolarHBondContact N-O 3.42Å; K171-S173 WeakPolarHBondContact CE-OG 3.44Å
172	A	97.6	Very high	96.9	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	116	161.4	0	0	0	0	0	109.1	L134 M155 R159 L162 F169	L134-A172 HydrophobicContact CB-CB 3.92Å; L134-A172 HydrophobicContact CD2-CB 4.28Å; L134-A172 WeakPolarHBondContact O-CA 3.42Å; M155-A172 HydrophobicContact CE-CB 4.13Å; R159-A172 HydrophobicContact CG-CB 3.82Å; R159-A172 PolarHBondContact NE-O 3.09Å; R159-A172 VanDerWaalsContact NE-O 3.13Å; R159-A172 PolarHBondContact NH2-O 2.94Å; L162-A172 HydrophobicContact CD1-CB 4.22Å; F169-A172 HydrophobicContact CE2-CB 4.03Å; F169-A172 HydrophobicContact CZ-CB 3.91Å
173	S	96.9	Very high	96.9	Very high	19 Å²	19	44.9 Å²	44.9	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.5	-176.1	53.3	0	0	0	0	112.8	L134 G135 A136 K171	L134-S173 PolarHBondContact O-N 3.13Å; G135-S173 WeakPolarHBondContact CA-O 3.45Å; A136-S173 PolarHBondContact N-O 3.21Å; K171-S173 WeakPolarHBondContact CE-OG 3.44Å
174	I	98.1	Very high	96.9	Very high	34 Å²	34	41.7 Å²	41.7	17%	0.174	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116.3	163.4	-54.2	173.4	0	0	0	106.4	A136 M140 R141 E144 M155	A136-I174 HydrophobicContact CB-CG1 4.29Å; A136-I174 CarbonylContact O-C 3.14Å; A136-I174 WeakPolarHBondContact O-CA 3.46Å; M140-I174 HydrophobicContact CB-CD1 3.88Å; M140-I174 HydrophobicContact CB-CG1 3.86Å; M140-I174 HydrophobicContact CB-CG2 4.22Å; M140-I174 HydrophobicContact CE-CD1 4.34Å; R141-I174 HydrophobicContact CB-CG2 4.48Å; R141-I174 HydrophobicContact CG-CG2 3.48Å; R141-I174 VanDerWaalsContact CG-CG2 3.48Å; E144-I174 HydrophobicContact CB-CD1 4.24Å; M155-I174 HydrophobicContact CG-CD1 4.48Å; M155-I174 HydrophobicContact CG-CG1 4.33Å; M155-I174 HydrophobicContact SD-CG1 4.29Å
175	I	96.9	Very high	96.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-79.7	148.5	-179.1	65.7	172.8	0	0	0	110.3	A136 T137 E179 E180 W452	A136-I175 PolarHBondContact O-N 3Å; T137-I175 HydrophobicContact CG2-CD1 3.95Å; T137-I175 HydrophobicContact CG2-CG1 4.12Å; I175-E179 HydrophobicContact CB-CB 4.45Å; I175-E180 HydrophobicContact CD1-CB 3.77Å; I175-E180 HydrophobicContact CD1-CG 4.17Å; I175-E180 HydrophobicContact CG1-CB 4.38Å; I175-W452 HydrophobicContact CD1-CD2 3.89Å; I175-W452 HydrophobicContact CD1-CE3 4.06Å; I175-W452 HydrophobicContact CD1-CG 4.44Å; I175-W452 HydrophobicContact CD1-CH2 4.35Å; I175-W452 HydrophobicContact CD1-CZ2 4.12Å; I175-W452 HydrophobicContact CD1-CZ3 4.3Å
176	T	97.1	Very high	96.9	Very high	63 Å²	63	32.6 Å²	32.6	39%	0.387	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-67.9	157.2	174.2	64.3	0	0	0	0	110.5	Q178 E179 E180	T176-Q178 VanDerWaalsContact C-N 3.29Å; T176-Q178 PolarHBondContact O-N 2.87Å; T176-E179 WeakPolarHBondContact CB-OE2 3.38Å; T176-E179 PolarHBondContact N-OE2 2.83Å; T176-E179 PolarHBondContact O-N 3.48Å; T176-E179 VanDerWaalsContact OG1-CB 3.31Å; T176-E179 WeakPolarHBondContact OG1-CB 3.19Å; T176-E179 VanDerWaalsContact OG1-CD 3.32Å; T176-E179 WeakPolarHBondContact OG1-CG 3.11Å; T176-E179 PolarHBondContact OG1-N 3.49Å; T176-E179 PolarHBondContact OG1-OE2 3Å; T176-E180 PolarHBondContact O-N 2.79Å
177	G	95.9	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-35.6	177.9	0	0	0	0	0	113	E180 G181 S254	G177-E180 PolarHBondContact O-N 2.87Å; G177-G181 PolarHBondContact O-N 3.12Å; G177-S254 VanDerWaalsContact C-CB 3.47Å; G177-S254 WeakPolarHBondContact CA-OG 3.12Å
178	Q	96.1	Very high	96.9	Very high	39 Å²	39	28.9 Å²	28.9	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-66.7	-39.2	175.2	-67.4	82.7	-2.4	0	0	111.9	T176 G181 L182 D237 K239 T252	T176-Q178 VanDerWaalsContact C-N 3.29Å; T176-Q178 PolarHBondContact O-N 2.87Å; Q178-G181 PolarHBondContact O-N 3.43Å; Q178-L182 WeakPolarHBondContact O-CB 3.33Å; Q178-L182 PolarHBondContact O-N 3.41Å; Q178-D237 WeakPolarHBondContact CG-OD1 3.33Å; Q178-D237 PolarHBondContact NE2-OD1 2.86Å; Q178-K239 HydrophobicContact CB-CG 4.48Å; Q178-T252 HydrophobicContact CB-CG2 3.85Å; Q178-T252 HydrophobicContact CG-CG2 4.25Å; Q178-T252 WeakPolarHBondContact O-CG2 3.49Å; Q178-T252 PolarHBondContact O-OG1 2.96Å
179	E	96.4	Very high	96.9	Very high	53 Å²	53	24.6 Å²	24.6	25%	0.248	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-47.3	172.4	-80.6	169.6	134.7	0	0	111.3	I175 T176 G181 L182 Y183	I175-E179 HydrophobicContact CB-CB 4.45Å; T176-E179 WeakPolarHBondContact CB-OE2 3.38Å; T176-E179 PolarHBondContact N-OE2 2.83Å; T176-E179 PolarHBondContact O-N 3.48Å; T176-E179 VanDerWaalsContact OG1-CB 3.31Å; T176-E179 WeakPolarHBondContact OG1-CB 3.19Å; T176-E179 VanDerWaalsContact OG1-CD 3.32Å; T176-E179 WeakPolarHBondContact OG1-CG 3.11Å; T176-E179 PolarHBondContact OG1-N 3.49Å; T176-E179 PolarHBondContact OG1-OE2 3Å; E179-G181 VanDerWaalsContact C-N 3.32Å; E179-G181 PolarHBondContact O-N 2.76Å; E179-L182 PolarHBondContact O-N 3.43Å; E179-Y183 HydrophobicContact CB-CD2 4.05Å; E179-Y183 HydrophobicContact CB-CE2 3.71Å; E179-Y183 HydrophobicContact CG-CE2 3.99Å; E179-Y183 WeakPolarHBondContact O-CB 3.3Å; E179-Y183 WeakPolarHBondContact O-CD2 3.29Å; E179-Y183 PolarHBondContact O-N 3.28Å
180	E	97.4	Very high	96.7	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.051	11%	0.114	C	C	.	.	H	α-helix	trans	-56.2	-45.8	177.6	-170.7	174.7	-174	0	0	111.7	T137 R141 I175 T176 G177 G184 Q224 W452	T137-E180 VanDerWaalsContact CB-OE1 3.29Å; T137-E180 WeakPolarHBondContact CB-OE1 3.29Å; T137-E180 HydrophobicContact CG2-CG 4.34Å; T137-E180 WeakPolarHBondContact CG2-OE1 3.34Å; R141-E180 IonicContact CZ-OE2 3.83Å; R141-E180 IonicContact NH2-OE2 2.78Å; R141-E180 PolarHBondContact NH2-OE2 2.83Å; I175-E180 HydrophobicContact CD1-CB 3.77Å; I175-E180 HydrophobicContact CD1-CG 4.17Å; I175-E180 HydrophobicContact CG1-CB 4.38Å; T176-E180 PolarHBondContact O-N 2.79Å; G177-E180 PolarHBondContact O-N 2.87Å; E180-G184 PolarHBondContact O-N 3.45Å; E180-G184 VanDerWaalsContact O-N 3.09Å; E180-Q224 PolarHBondContact OE2-NE2 2.7Å; E180-W452 HydrophobicContact CG-CG 4.36Å
181	G	97.6	Very high	96.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-46.1	176.6	0	0	0	0	0	113.5	G177 Q178 E179 G184 W185 A226	G177-G181 PolarHBondContact O-N 3.12Å; Q178-G181 PolarHBondContact O-N 3.43Å; E179-G181 VanDerWaalsContact C-N 3.32Å; E179-G181 PolarHBondContact O-N 2.76Å; G181-G184 PolarHBondContact O-N 3.44Å; G181-W185 PolarHBondContact O-N 3.19Å; G181-A226 WeakPolarHBondContact O-CB 3.33Å
182	L	97.6	Very high	96.6	Very high	13 Å²	13	18.7 Å²	18.7	7%	0.068	9%	0.094	C	C	.	.	H	α-helix	trans	-58.8	-50.3	177.4	175.2	64.7	0	0	0	111.4	Q178 E179 G184 W185 I186 K239 V241 V250 T252	Q178-L182 WeakPolarHBondContact O-CB 3.33Å; Q178-L182 PolarHBondContact O-N 3.41Å; E179-L182 PolarHBondContact O-N 3.43Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 2.73Å; L182-W185 HydrophobicContact CD1-CE3 4.41Å; L182-W185 WeakPolarHBondContact O-CB 3.41Å; L182-W185 PolarHBondContact O-N 3.05Å; L182-W185 VanDerWaalsContact O-N 3.13Å; L182-I186 HydrophobicContact CD1-CD1 4.4Å; L182-I186 HydrophobicContact CG-CD1 4.18Å; L182-I186 WeakPolarHBondContact O-CG1 3.17Å; L182-I186 PolarHBondContact O-N 3.5Å; L182-K239 HydrophobicContact CD1-CB 4.37Å; L182-K239 HydrophobicContact CD2-CB 3.96Å; L182-K239 HydrophobicContact CD2-CG 4.38Å; L182-V241 HydrophobicContact CD1-CG1 4.25Å; L182-V250 HydrophobicContact CD1-CB 3.88Å; L182-V250 HydrophobicContact CD1-CG1 4.07Å; L182-V250 HydrophobicContact CD1-CG2 3.9Å; L182-T252 HydrophobicContact CB-CG2 4.38Å
183	Y	97.7	Very high	96.3	Very high	21 Å²	21	22.9 Å²	22.9	8%	0.082	11%	0.113	C	C	.	.	H	α-helix	trans	-68.1	-31.8	-178.3	-64.9	-53	0	0	0	111.9	E179 I186 T187 W452 G455 Y456	E179-Y183 HydrophobicContact CB-CD2 4.05Å; E179-Y183 HydrophobicContact CB-CE2 3.71Å; E179-Y183 HydrophobicContact CG-CE2 3.99Å; E179-Y183 WeakPolarHBondContact O-CB 3.3Å; E179-Y183 WeakPolarHBondContact O-CD2 3.29Å; E179-Y183 PolarHBondContact O-N 3.28Å; Y183-I186 HydrophobicContact CD1-CD1 4.04Å; Y183-I186 PolarHBondContact O-N 3.48Å; Y183-T187 PolarHBondContact O-N 3.44Å; Y183-T187 PolarHBondContact O-OG1 2.75Å; Y183-W452 WeakPolarHBondContact CB-O 3.41Å; Y183-W452 HydrophobicContact CD2-CE3 4.45Å; Y183-G455 WeakPolarHBondContact O-CA 3.48Å; Y183-Y456 HydrophobicContact CD1-CD2 4.5Å; Y183-Y456 AromaticContact CD2-CD2 3.84Å; Y183-Y456 HydrophobicContact CD2-CD2 3.84Å; Y183-Y456 HydrophobicContact CE1-CD2 4.14Å; Y183-Y456 AromaticContact CE2-CD2 3.44Å; Y183-Y456 HydrophobicContact CE2-CD2 3.44Å; Y183-Y456 VanDerWaalsContact CE2-CD2 3.44Å; Y183-Y456 HydrophobicContact CE2-CE2 4.08Å; Y183-Y456 HydrophobicContact CE2-CG 4.49Å; Y183-Y456 HydrophobicContact CG-CD2 4.39Å; Y183-Y456 AromaticContact CZ-CD2 3.6Å
184	G	97.2	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-46.2	167.9	0	0	0	0	0	112.4	E180 G181 L182 I186 T187 V188	E180-G184 PolarHBondContact O-N 3.45Å; E180-G184 VanDerWaalsContact O-N 3.09Å; G181-G184 PolarHBondContact O-N 3.44Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 2.73Å; G184-I186 PolarHBondContact O-N 2.91Å; G184-T187 WeakPolarHBondContact O-CB 3.36Å; G184-T187 PolarHBondContact O-N 2.89Å; G184-V188 WeakPolarHBondContact O-CG2 3.27Å; G184-V188 PolarHBondContact O-N 2.84Å
185	W	97.8	Very high	95.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.1	176.8	88.9	0	0	0	113.1	G181 L182 V188 N189 F195 T212 V213 S215 A226 Q228 V241 Y248 V250	G181-W185 PolarHBondContact O-N 3.19Å; L182-W185 HydrophobicContact CD1-CE3 4.41Å; L182-W185 WeakPolarHBondContact O-CB 3.41Å; L182-W185 PolarHBondContact O-N 3.05Å; L182-W185 VanDerWaalsContact O-N 3.13Å; W185-V188 PolarHBondContact O-N 3.36Å; W185-N189 VanDerWaalsContact CE2-ND2 3.28Å; W185-N189 PolarHBondContact NE1-ND2 3Å; W185-N189 VanDerWaalsContact NE1-ND2 3.16Å; W185-N189 PolarHBondContact O-N 3.38Å; W185-N189 VanDerWaalsContact O-N 3.11Å; W185-N189 PolarHBondContact O-ND2 3.2Å; W185-F195 HydrophobicContact CE3-CZ 4.22Å; W185-F195 AromaticContact CH2-CE1 3.72Å; W185-F195 HydrophobicContact CH2-CE1 3.72Å; W185-F195 AromaticContact CH2-CZ 3.7Å; W185-F195 HydrophobicContact CH2-CZ 3.7Å; W185-F195 HydrophobicContact CZ2-CE1 4.44Å; W185-F195 HydrophobicContact CZ2-CZ 4.45Å; W185-F195 HydrophobicContact CZ3-CE1 4.05Å; W185-F195 AromaticContact CZ3-CZ 3.56Å; W185-F195 HydrophobicContact CZ3-CZ 3.56Å; W185-T212 HydrophobicContact CH2-CG2 4.14Å; W185-T212 HydrophobicContact CZ2-CG2 3.62Å; W185-V213 VanDerWaalsContact CD1-O 3.23Å; W185-V213 PolarHBondContact NE1-O 3.42Å; W185-S215 PolarHBondContact N-OG 3.01Å; W185-A226 HydrophobicContact CB-CB 3.84Å; W185-A226 HydrophobicContact CG-CB 4.45Å; W185-Q228 HydrophobicContact CZ2-CB 3.97Å; W185-V241 HydrophobicContact CZ3-CG1 4.44Å; W185-Y248 AromaticContact CH2-CD1 3.73Å; W185-Y248 HydrophobicContact CH2-CD1 3.73Å; W185-Y248 HydrophobicContact CH2-CE1 4.43Å; W185-Y248 AromaticContact CH2-CG 3.84Å; W185-Y248 HydrophobicContact CH2-CG 3.84Å; W185-Y248 HydrophobicContact CZ2-CD1 4.47Å; W185-Y248 HydrophobicContact CZ3-CG 4.43Å; W185-V250 HydrophobicContact CD2-CG1 4.2Å; W185-V250 HydrophobicContact CD2-CG2 3.9Å; W185-V250 HydrophobicContact CE3-CG1 4.49Å; W185-V250 HydrophobicContact CE3-CG2 3.63Å; W185-V250 HydrophobicContact CG-CG1 4.25Å; W185-V250 HydrophobicContact CH2-CG2 3.74Å; W185-V250 HydrophobicContact CZ2-CG2 3.98Å; W185-V250 HydrophobicContact CZ3-CG2 3.55Å
186	I	97.3	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-46.1	173.9	-64.5	174.8	0	0	0	110.2	L182 Y183 G184 V188 N189 Y190 F195 V241 L243 L458	L182-I186 HydrophobicContact CD1-CD1 4.4Å; L182-I186 HydrophobicContact CG-CD1 4.18Å; L182-I186 WeakPolarHBondContact O-CG1 3.17Å; L182-I186 PolarHBondContact O-N 3.5Å; Y183-I186 HydrophobicContact CD1-CD1 4.04Å; Y183-I186 PolarHBondContact O-N 3.48Å; G184-I186 PolarHBondContact O-N 2.91Å; I186-V188 PolarHBondContact O-N 3.45Å; I186-N189 PolarHBondContact O-N 3.39Å; I186-Y190 VanDerWaalsContact O-CB 3.24Å; I186-Y190 WeakPolarHBondContact O-CB 3.31Å; I186-Y190 PolarHBondContact O-N 3.11Å; I186-F195 HydrophobicContact CG2-CE2 4.08Å; I186-F195 WeakPolarHBondContact O-CE2 3.5Å; I186-V241 HydrophobicContact CD1-CG1 4.37Å; I186-V241 HydrophobicContact CD1-CG2 4.08Å; I186-L243 HydrophobicContact CB-CD1 4.39Å; I186-L243 HydrophobicContact CD1-CD1 4.06Å; I186-L243 HydrophobicContact CG1-CD1 3.86Å; I186-L243 HydrophobicContact CG2-CD1 3.77Å; I186-L243 HydrophobicContact CG2-CD2 4.49Å; I186-L458 HydrophobicContact CG2-CB 4.27Å; I186-L458 HydrophobicContact CG2-CD1 4.01Å
187	T	96.6	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-50.1	177	-66.2	0	0	0	0	111.9	Y183 G184 N189 Y190 L191 I450 G451 L454 G455	Y183-T187 PolarHBondContact O-N 3.44Å; Y183-T187 PolarHBondContact O-OG1 2.75Å; G184-T187 WeakPolarHBondContact O-CB 3.36Å; G184-T187 PolarHBondContact O-N 2.89Å; T187-N189 PolarHBondContact O-N 2.94Å; T187-Y190 PolarHBondContact O-N 3.43Å; T187-L191 HydrophobicContact CG2-CD1 3.81Å; T187-L191 HydrophobicContact CG2-CG 4.39Å; T187-L191 WeakPolarHBondContact O-CG 3.47Å; T187-L191 PolarHBondContact O-N 3Å; T187-I450 HydrophobicContact CG2-CG2 4.26Å; T187-G451 VanDerWaalsContact CB-O 3.23Å; T187-G451 WeakPolarHBondContact CB-O 3.26Å; T187-G451 WeakPolarHBondContact CG2-O 3.26Å; T187-G451 PolarHBondContact OG1-O 3.24Å; T187-L454 HydrophobicContact CG2-CB 4.14Å; T187-L454 HydrophobicContact CG2-CD2 4.19Å; T187-G455 PolarHBondContact OG1-N 3.02Å
188	V	96.3	Very high	94.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-51.4	-179.2	168	0	0	0	0	110.4	G184 W185 I186 L191 K192 V213 M361 Y363 I445 I450	G184-V188 WeakPolarHBondContact O-CG2 3.27Å; G184-V188 PolarHBondContact O-N 2.84Å; W185-V188 PolarHBondContact O-N 3.36Å; I186-V188 PolarHBondContact O-N 3.45Å; V188-L191 PolarHBondContact O-N 3.17Å; V188-K192 WeakPolarHBondContact O-CB 3.11Å; V188-K192 VanDerWaalsContact O-CG 3.24Å; V188-K192 WeakPolarHBondContact O-CG 3.43Å; V188-K192 PolarHBondContact O-N 2.84Å; V188-V213 HydrophobicContact CG1-CB 4.02Å; V188-V213 HydrophobicContact CG1-CG1 3.94Å; V188-M361 HydrophobicContact CG1-CB 3.73Å; V188-M361 HydrophobicContact CG1-CG 4.27Å; V188-M361 HydrophobicContact CG2-CB 4.01Å; V188-M361 HydrophobicContact CG2-CG 4.1Å; V188-Y363 HydrophobicContact CG2-CD1 4.46Å; V188-Y363 HydrophobicContact CG2-CE1 4.11Å; V188-I445 HydrophobicContact CG1-CD1 4.48Å; V188-I450 HydrophobicContact CG2-CG2 3.68Å
189	N	95.9	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.5	-32.9	-175.4	-77.9	-73.3	0	0	0	113.5	W185 I186 T187 K192 E193 N194 F195 T212 V213	W185-N189 VanDerWaalsContact CE2-ND2 3.28Å; W185-N189 PolarHBondContact NE1-ND2 3Å; W185-N189 VanDerWaalsContact NE1-ND2 3.16Å; W185-N189 PolarHBondContact O-N 3.38Å; W185-N189 VanDerWaalsContact O-N 3.11Å; W185-N189 PolarHBondContact O-ND2 3.2Å; I186-N189 PolarHBondContact O-N 3.39Å; T187-N189 PolarHBondContact O-N 2.94Å; N189-K192 PolarHBondContact O-N 2.94Å; N189-E193 PolarHBondContact O-N 2.83Å; N189-N194 HydrophobicContact CB-CB 4.17Å; N189-N194 PolarHBondContact O-N 3Å; N189-N194 PolarHBondContact OD1-ND2 2.8Å; N189-F195 HydrophobicContact CB-CD1 4.32Å; N189-F195 HydrophobicContact CB-CD2 4.14Å; N189-F195 HydrophobicContact CB-CE1 3.71Å; N189-F195 HydrophobicContact CB-CE2 3.48Å; N189-F195 VanDerWaalsContact CB-CE2 3.48Å; N189-F195 HydrophobicContact CB-CZ 3.24Å; N189-T212 WeakPolarHBondContact OD1-CA 3.42Å; N189-T212 WeakPolarHBondContact OD1-CB 3.36Å; N189-V213 PolarHBondContact ND2-O 3.42Å; N189-V213 PolarHBondContact OD1-N 3.15Å
190	Y	94.8	Very high	93.5	Very high	31 Å²	31	34.7 Å²	34.7	12%	0.122	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-48.5	172.4	176.8	-103.3	0	0	0	111.6	V80 V81 I186 T187 K192 E193 Y244 L454 L458	V80-Y190 WeakPolarHBondContact CG1-OH 3.2Å; V81-Y190 PolarHBondContact N-OH 3Å; V81-Y190 WeakPolarHBondContact O-CE1 3.42Å; V81-Y190 VanDerWaalsContact O-CZ 3.25Å; V81-Y190 PolarHBondContact O-OH 3.01Å; I186-Y190 VanDerWaalsContact O-CB 3.24Å; I186-Y190 WeakPolarHBondContact O-CB 3.31Å; I186-Y190 PolarHBondContact O-N 3.11Å; T187-Y190 PolarHBondContact O-N 3.43Å; Y190-K192 VanDerWaalsContact C-N 3.26Å; Y190-K192 PolarHBondContact O-N 3.02Å; Y190-E193 PolarHBondContact O-N 3.37Å; Y190-Y244 HydrophobicContact CD2-CE2 4.32Å; Y190-Y244 WeakPolarHBondContact CD2-OH 3.32Å; Y190-Y244 WeakPolarHBondContact CE2-OH 3.03Å; Y190-L454 HydrophobicContact CD1-CD2 3.85Å; Y190-L454 HydrophobicContact CD1-CG 4.41Å; Y190-L454 HydrophobicContact CE1-CD2 4.2Å; Y190-L458 HydrophobicContact CD1-CD1 3.72Å; Y190-L458 HydrophobicContact CD2-CD1 3.8Å; Y190-L458 HydrophobicContact CD2-CD2 3.95Å; Y190-L458 HydrophobicContact CE1-CD1 4.33Å; Y190-L458 HydrophobicContact CE2-CD1 4.42Å; Y190-L458 HydrophobicContact CE2-CD2 3.88Å; Y190-L458 HydrophobicContact CG-CD1 3.4Å; Y190-L458 VanDerWaalsContact CG-CD1 3.4Å; Y190-L458 HydrophobicContact CG-CD2 4.34Å
191	L	93.8	Very high	92.9	Very high	16 Å²	16	44.2 Å²	44.2	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-27.7	-179.8	-65.6	175.5	0	0	0	112.9	T187 V188 E193 I445 T448 L454	T187-L191 HydrophobicContact CG2-CD1 3.81Å; T187-L191 HydrophobicContact CG2-CG 4.39Å; T187-L191 WeakPolarHBondContact O-CG 3.47Å; T187-L191 PolarHBondContact O-N 3Å; V188-L191 PolarHBondContact O-N 3.17Å; L191-E193 PolarHBondContact O-N 3Å; L191-I445 HydrophobicContact CB-CB 3.76Å; L191-I445 HydrophobicContact CB-CD1 3.99Å; L191-I445 HydrophobicContact CB-CG2 3.65Å; L191-I445 HydrophobicContact CD1-CB 4.14Å; L191-I445 HydrophobicContact CD1-CD1 4.39Å; L191-I445 WeakPolarHBondContact O-CG2 3.46Å; L191-T448 HydrophobicContact CD1-CG2 4.06Å; L191-T448 HydrophobicContact CD2-CG2 4.02Å; L191-L454 HydrophobicContact CD1-CD2 4.43Å; L191-L454 HydrophobicContact CD2-CD2 3.85Å; L191-L454 HydrophobicContact CG-CD2 4.1Å
192	K	93	Very high	92.3	Very high	80 Å²	80	49.3 Å²	49.3	35%	0.348	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.2	172.1	-67.7	-72.8	-70.7	-168.8	0	113.7	V188 N189 Y190 N194 I445	V188-K192 WeakPolarHBondContact O-CB 3.11Å; V188-K192 VanDerWaalsContact O-CG 3.24Å; V188-K192 WeakPolarHBondContact O-CG 3.43Å; V188-K192 PolarHBondContact O-N 2.84Å; N189-K192 PolarHBondContact O-N 2.94Å; Y190-K192 VanDerWaalsContact C-N 3.26Å; Y190-K192 PolarHBondContact O-N 3.02Å; K192-N194 PolarHBondContact O-N 2.82Å; K192-N194 PolarHBondContact O-OD1 3.14Å; K192-I445 HydrophobicContact CD-CD1 4.29Å; K192-I445 HydrophobicContact CD-CG2 4.23Å; K192-I445 HydrophobicContact CG-CD1 4.07Å
193	E	92.2	Very high	91.6	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	22.4	-177.1	-64.9	172.6	164.7	0	0	114	N189 Y190 L191 F195 L196 Q197 P207 K446	N189-E193 PolarHBondContact O-N 2.83Å; Y190-E193 PolarHBondContact O-N 3.37Å; L191-E193 PolarHBondContact O-N 3Å; E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.95Å; E193-L196 WeakPolarHBondContact CA-O 3.22Å; E193-L196 WeakPolarHBondContact CB-O 3.47Å; E193-L196 CarbonylContact O-C 3.54Å; E193-L196 PolarHBondContact O-N 3.08Å; E193-Q197 HydrophobicContact CB-CB 4.35Å; E193-P207 WeakPolarHBondContact O-CG 3.34Å; E193-K446 IonicContact OE1-NZ 2.6Å; E193-K446 PolarHBondContact OE1-NZ 3.35Å; E193-K446 IonicContact OE2-NZ 3.84Å; E193-K446 PolarHBondContact OE2-NZ 2.65Å
194	N	93.1	Very high	91	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.134	26%	0.255	C	S	.	.	S	Bend	trans	-74.5	-17.8	-178.8	-69.3	-15.3	0	0	0	113.2	N189 K192 A210 E211	N189-N194 HydrophobicContact CB-CB 4.17Å; N189-N194 PolarHBondContact O-N 3Å; N189-N194 PolarHBondContact OD1-ND2 2.8Å; K192-N194 PolarHBondContact O-N 2.82Å; K192-N194 PolarHBondContact O-OD1 3.14Å; N194-A210 WeakPolarHBondContact O-CB 3.36Å; N194-E211 PolarHBondContact ND2-O 2.86Å
195	F	91.4	Very high	90.5	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	27%	0.27	C	S	.	.	S	Bend	trans	-95.6	-30.4	175.1	-58.8	-38.3	0	0	0	113.1	W185 I186 N189 E193 H206 T212 L243 Y244 Y248	W185-F195 HydrophobicContact CE3-CZ 4.22Å; W185-F195 AromaticContact CH2-CE1 3.72Å; W185-F195 HydrophobicContact CH2-CE1 3.72Å; W185-F195 AromaticContact CH2-CZ 3.7Å; W185-F195 HydrophobicContact CH2-CZ 3.7Å; W185-F195 HydrophobicContact CZ2-CE1 4.44Å; W185-F195 HydrophobicContact CZ2-CZ 4.45Å; W185-F195 HydrophobicContact CZ3-CE1 4.05Å; W185-F195 AromaticContact CZ3-CZ 3.56Å; W185-F195 HydrophobicContact CZ3-CZ 3.56Å; I186-F195 HydrophobicContact CG2-CE2 4.08Å; I186-F195 WeakPolarHBondContact O-CE2 3.5Å; N189-F195 HydrophobicContact CB-CD1 4.32Å; N189-F195 HydrophobicContact CB-CD2 4.14Å; N189-F195 HydrophobicContact CB-CE1 3.71Å; N189-F195 HydrophobicContact CB-CE2 3.48Å; N189-F195 VanDerWaalsContact CB-CE2 3.48Å; N189-F195 HydrophobicContact CB-CZ 3.24Å; E193-F195 VanDerWaalsContact C-N 3.28Å; E193-F195 PolarHBondContact O-N 2.95Å; F195-H206 PolarHBondContact O-CD2 2.84Å; F195-T212 HydrophobicContact CE1-CG2 4.19Å; F195-L243 HydrophobicContact CD2-CD1 4.09Å; F195-L243 HydrophobicContact CE1-CD1 4.34Å; F195-L243 HydrophobicContact CE2-CD1 3.61Å; F195-L243 HydrophobicContact CZ-CD1 3.74Å; F195-Y244 HydrophobicContact CB-CD2 3.71Å; F195-Y244 HydrophobicContact CB-CE2 3.89Å; F195-Y244 HydrophobicContact CD2-CE2 4.48Å; F195-Y248 HydrophobicContact CD1-CE1 4.18Å; F195-Y248 HydrophobicContact CD1-CE2 4.02Å; F195-Y248 AromaticContact CD1-CZ 3.61Å; F195-Y248 WeakPolarHBondContact CD1-OH 3.24Å; F195-Y248 HydrophobicContact CE1-CD1 4.4Å; F195-Y248 HydrophobicContact CE1-CD2 4.47Å; F195-Y248 AromaticContact CE1-CE1 3.93Å; F195-Y248 HydrophobicContact CE1-CE1 3.93Å; F195-Y248 HydrophobicContact CE1-CE2 4.03Å; F195-Y248 AromaticContact CE1-CZ 3.73Å
196	L	88.9	Confident	89.9	Confident	17 Å²	17	59.4 Å²	59.4	9%	0.089	28%	0.28	C	S	.	.			trans	-157.8	127.6	-169.1	-162.6	70.7	0	0	0	109.3	E75 V80 E193 Y204 Y244	E75-L196 HydrophobicContact CB-CD2 4.23Å; E75-L196 HydrophobicContact CG-CD2 4.13Å; V80-L196 HydrophobicContact CG2-CD2 3.66Å; E193-L196 WeakPolarHBondContact CA-O 3.22Å; E193-L196 WeakPolarHBondContact CB-O 3.47Å; E193-L196 CarbonylContact O-C 3.54Å; E193-L196 PolarHBondContact O-N 3.08Å; L196-Y204 HydrophobicContact CD1-CG 4.45Å; L196-Y204 HydrophobicContact CD2-CD1 3.5Å; L196-Y204 HydrophobicContact CD2-CD2 4.42Å; L196-Y204 HydrophobicContact CD2-CE1 4.1Å; L196-Y204 HydrophobicContact CD2-CG 3.69Å; L196-Y204 HydrophobicContact CG-CD1 3.67Å; L196-Y204 HydrophobicContact CG-CG 4.01Å; L196-Y244 HydrophobicContact CB-CE2 4.49Å; L196-Y244 HydrophobicContact CD1-CD1 4.28Å; L196-Y244 HydrophobicContact CD1-CG 4.48Å; L196-Y244 HydrophobicContact CD2-CD1 4.01Å; L196-Y244 HydrophobicContact CD2-CE1 3.76Å
197	Q	87.4	Confident	89.3	Confident	79 Å²	79	59.9 Å²	59.9	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.8	174.4	68.7	177.9	5.3	0	0	110.7	E193 Y204 V205 P207	E193-Q197 HydrophobicContact CB-CB 4.35Å; Q197-Y204 WeakPolarHBondContact O-CA 2.94Å; Q197-V205 HydrophobicContact CG-CG2 4.08Å; Q197-V205 PolarHBondContact N-O 3.21Å; Q197-V205 PolarHBondContact O-N 2.97Å; Q197-P207 HydrophobicContact CB-CG 4.25Å; Q197-P207 HydrophobicContact CG-CB 4.02Å; Q197-P207 HydrophobicContact CG-CG 3.88Å
198	K	85.7	Confident	88.3	Confident	103 Å²	103	67.7 Å²	67.7	45%	0.448	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131	174.2	-73	177.1	162.9	-162.4	0	110.7	N202 T203 Y204	K198-N202 VanDerWaalsContact CD-OD1 3.27Å; K198-N202 WeakPolarHBondContact CD-OD1 3.33Å; K198-N202 WeakPolarHBondContact CE-OD1 3.5Å; K198-N202 PolarHBondContact NZ-OD1 3.06Å; K198-T203 WeakPolarHBondContact CA-O 3.01Å; K198-Y204 HydrophobicContact CD-CE1 4.11Å; K198-Y204 VanDerWaalsContact CE-OH 3.29Å; K198-Y204 WeakPolarHBondContact CE-OH 3.41Å; K198-Y204 HydrophobicContact CG-CD1 3.75Å; K198-Y204 HydrophobicContact CG-CE1 3.6Å
199	N	85.1	Confident	87	Confident	57 Å²	57	71.4 Å²	71.4	31%	0.305	36%	0.363	S	S	.	.			trans	-80.3	-178.9	171	69.9	12.9	0	0	0	111.7	W201 N202 T203 V205	N199-W201 PolarHBondContact O-N 2.82Å; N199-W201 WeakPolarHBondContact OD1-CA 3.23Å; N199-W201 WeakPolarHBondContact OD1-CB 3.25Å; N199-W201 PolarHBondContact OD1-N 3.24Å; N199-N202 PolarHBondContact O-N 2.78Å; N199-N202 PolarHBondContact OD1-N 3.41Å; N199-T203 PolarHBondContact N-O 2.86Å; N199-T203 PolarHBondContact OD1-N 3.5Å; N199-T203 PolarHBondContact OD1-O 3.02Å; N199-V205 HydrophobicContact CB-CG1 4.48Å; N199-V205 HydrophobicContact CB-CG2 4.1Å
200	M	87	Confident	85.7	Confident	182 Å²	182	73 Å²	73	90%	0.897	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.9	178.3	-61.8	-159.7	-58	0	0	114.4
201	W	85.4	Confident	85.3	Confident	211 Å²	211	79 Å²	79	80%	0.799	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	13.8	177.3	-52.5	102.6	0	0	0	112.4	N199 T203	N199-W201 PolarHBondContact O-N 2.82Å; N199-W201 WeakPolarHBondContact OD1-CA 3.23Å; N199-W201 WeakPolarHBondContact OD1-CB 3.25Å; N199-W201 PolarHBondContact OD1-N 3.24Å; W201-T203 PolarHBondContact O-N 3.36Å; W201-T203 VanDerWaalsContact O-N 3.12Å; W201-T203 PolarHBondContact O-OG1 3.27Å
202	N	83.3	Confident	85.4	Confident	108 Å²	108	79.2 Å²	79.2	58%	0.578	41%	0.407	S	S	*	.	S	Bend	trans	56.3	26.9	-178.3	-171	50.3	0	0	0	113	K198 N199	K198-N202 VanDerWaalsContact CD-OD1 3.27Å; K198-N202 WeakPolarHBondContact CD-OD1 3.33Å; K198-N202 WeakPolarHBondContact CE-OD1 3.5Å; K198-N202 PolarHBondContact NZ-OD1 3.06Å; N199-N202 PolarHBondContact O-N 2.78Å; N199-N202 PolarHBondContact OD1-N 3.41Å
203	T	83.5	Confident	85.5	Confident	75 Å²	75	75.9 Å²	75.9	46%	0.46	39%	0.394	S	S	.	.			trans	-101.1	139	175.9	-50.8	0	0	0	0	109.4	K198 N199 W201	K198-T203 WeakPolarHBondContact CA-O 3.01Å; N199-T203 PolarHBondContact N-O 2.86Å; N199-T203 PolarHBondContact OD1-N 3.5Å; N199-T203 PolarHBondContact OD1-O 3.02Å; W201-T203 PolarHBondContact O-N 3.36Å; W201-T203 VanDerWaalsContact O-N 3.12Å; W201-T203 PolarHBondContact O-OG1 3.27Å
204	Y	85.3	Confident	85.8	Confident	73 Å²	73	71.6 Å²	71.6	29%	0.286	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130.8	176.6	-72.1	-64	0	0	0	111.1	E75 V80 L196 Q197 K198	E75-Y204 HydrophobicContact CG-CD2 3.79Å; E75-Y204 HydrophobicContact CG-CG 4.12Å; E75-Y204 WeakPolarHBondContact OE1-CD2 3.34Å; V80-Y204 HydrophobicContact CG1-CE1 4.33Å; V80-Y204 HydrophobicContact CG2-CD2 4.32Å; V80-Y204 HydrophobicContact CG2-CE2 4.01Å; L196-Y204 HydrophobicContact CD1-CG 4.45Å; L196-Y204 HydrophobicContact CD2-CD1 3.5Å; L196-Y204 HydrophobicContact CD2-CD2 4.42Å; L196-Y204 HydrophobicContact CD2-CE1 4.1Å; L196-Y204 HydrophobicContact CD2-CG 3.69Å; L196-Y204 HydrophobicContact CG-CD1 3.67Å; L196-Y204 HydrophobicContact CG-CG 4.01Å; Q197-Y204 WeakPolarHBondContact O-CA 2.94Å; K198-Y204 HydrophobicContact CD-CE1 4.11Å; K198-Y204 VanDerWaalsContact CE-OH 3.29Å; K198-Y204 WeakPolarHBondContact CE-OH 3.41Å; K198-Y204 HydrophobicContact CG-CD1 3.75Å; K198-Y204 HydrophobicContact CG-CE1 3.6Å
205	V	85.8	Confident	86	Confident	51 Å²	51	70.5 Å²	70.5	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.9	177.5	-63.2	0	0	0	0	109.7	Q197 N199	Q197-V205 HydrophobicContact CG-CG2 4.08Å; Q197-V205 PolarHBondContact N-O 3.21Å; Q197-V205 PolarHBondContact O-N 2.97Å; N199-V205 HydrophobicContact CB-CG1 4.48Å; N199-V205 HydrophobicContact CB-CG2 4.1Å
206	H	86.8	Confident	86.4	Confident	46 Å²	46	70.4 Å²	70.4	21%	0.213	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.5	130.8	167.9	-170.5	-89.2	0	0	0	109.2	F195 N208 Y246 Y248	F195-H206 PolarHBondContact O-CD2 2.84Å; H206-N208 PolarHBondContact O-N 2.99Å; H206-Y246 HydrophobicContact CB-CD2 4.33Å; H206-Y246 HydrophobicContact CB-CE1 4.34Å; H206-Y246 HydrophobicContact CB-CE2 3.5Å; H206-Y246 VanDerWaalsContact CB-CZ 3.5Å; H206-Y246 WeakPolarHBondContact CB-OH 3.33Å; H206-Y246 AromaticContact CD2-CD2 3.33Å; H206-Y246 WeakPolarHBondContact CD2-CD2 3.32Å; H206-Y246 AromaticContact CD2-CE2 3.42Å; H206-Y246 VanDerWaalsContact CD2-CE2 3.42Å; H206-Y246 WeakPolarHBondContact CD2-CE2 3.34Å; H206-Y246 AromaticContact CD2-CG 3.71Å; H206-Y246 AromaticContact CD2-CZ 3.85Å; H206-Y246 AromaticContact CG-CD2 3.96Å; H206-Y246 AromaticContact CG-CE2 3.57Å; H206-Y246 AromaticContact CG-CZ 3.59Å; H206-Y246 AromaticContact NE2-CD2 3.99Å; H206-Y246 AromaticContact NE2-CG 3.9Å; H206-Y248 PolarHBondContact NE2-OH 3.04Å
207	P	83.9	Confident	86.8	Confident	10 Å²	10	70.3 Å²	70.3	7%	0.065	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-68.9	129.5	-178.3	-7	18.4	0	0	0	111.9	E193 Q197 G209 A210	E193-P207 WeakPolarHBondContact O-CG 3.34Å; Q197-P207 HydrophobicContact CB-CG 4.25Å; Q197-P207 HydrophobicContact CG-CB 4.02Å; Q197-P207 HydrophobicContact CG-CG 3.88Å; P207-G209 PolarHBondContact O-N 3.14Å; P207-A210 HydrophobicContact CB-CB 3.9Å; P207-A210 HydrophobicContact CG-CB 4.08Å; P207-A210 WeakPolarHBondContact O-CB 3.44Å; P207-A210 PolarHBondContact O-N 2.88Å
208	N	74.9	Confident	87.3	Confident	164 Å²	164	66.8 Å²	66.8	88%	0.877	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	124	176.2	-74	-17.4	0	0	0	110.6	H206 A210	H206-N208 PolarHBondContact O-N 2.99Å; N208-A210 VanDerWaalsContact C-N 3.28Å; N208-A210 PolarHBondContact O-N 3.17Å
209	G	69.5	Low	87.8	Confident	78 Å²	78	63 Å²	63	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	22.3	-179.9	0	0	0	0	0	113.9	P207 E211	P207-G209 PolarHBondContact O-N 3.14Å; G209-E211 PolarHBondContact O-N 2.77Å; G209-E211 VanDerWaalsContact O-N 3.1Å
210	A	69.3	Low	88.2	Confident	33 Å²	33	60.8 Å²	60.8	27%	0.273	33%	0.332	S	S	.	.			trans	-57.7	114.5	177.2	0	0	0	0	0	111.2	N194 P207 N208	N194-A210 WeakPolarHBondContact O-CB 3.36Å; P207-A210 HydrophobicContact CB-CB 3.9Å; P207-A210 HydrophobicContact CG-CB 4.08Å; P207-A210 WeakPolarHBondContact O-CB 3.44Å; P207-A210 PolarHBondContact O-N 2.88Å; N208-A210 VanDerWaalsContact C-N 3.28Å; N208-A210 PolarHBondContact O-N 3.17Å
211	E	87.1	Confident	88.7	Confident	158 Å²	158	52.2 Å²	52.2	74%	0.738	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-89.1	130.6	164.7	-66.4	-172.9	164.6	0	0	109	N194 G209	N194-E211 PolarHBondContact ND2-O 2.86Å; G209-E211 PolarHBondContact O-N 2.77Å; G209-E211 VanDerWaalsContact O-N 3.1Å
212	T	94.3	Very high	89.3	Confident	21 Å²	21	42.3 Å²	42.3	13%	0.129	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-80.8	147.2	176.1	62.9	0	0	0	0	110.7	W185 N189 F195 Q228 Y248	W185-T212 HydrophobicContact CH2-CG2 4.14Å; W185-T212 HydrophobicContact CZ2-CG2 3.62Å; N189-T212 WeakPolarHBondContact OD1-CA 3.42Å; N189-T212 WeakPolarHBondContact OD1-CB 3.36Å; F195-T212 HydrophobicContact CE1-CG2 4.19Å; T212-Q228 WeakPolarHBondContact OG1-CB 3.3Å; T212-Q228 PolarHBondContact OG1-OE1 3.28Å; T212-Q228 VanDerWaalsContact OG1-OE1 3.07Å; T212-Y248 HydrophobicContact CG2-CD1 4.4Å; T212-Y248 HydrophobicContact CG2-CE1 4.05Å
213	V	96.3	Very high	90	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-91.5	132.8	177	178.4	0	0	0	0	108.7	W185 V188 N189 D359 M361	W185-V213 VanDerWaalsContact CD1-O 3.23Å; W185-V213 PolarHBondContact NE1-O 3.42Å; V188-V213 HydrophobicContact CG1-CB 4.02Å; V188-V213 HydrophobicContact CG1-CG1 3.94Å; N189-V213 PolarHBondContact ND2-O 3.42Å; N189-V213 PolarHBondContact OD1-N 3.15Å; V213-D359 CarbonylContact C-O 3.51Å; V213-D359 WeakPolarHBondContact CA-O 3.48Å; V213-D359 HydrophobicContact CG1-CB 4.19Å; V213-D359 WeakPolarHBondContact CG1-O 3.17Å; V213-D359 HydrophobicContact CG2-CB 4.19Å; V213-M361 HydrophobicContact CG1-CB 4.1Å
214	G	97.8	Very high	90.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	161.2	171.1	0	0	0	0	0	112.2	A226 D359 F360 M361	G214-A226 CarbonylContact C-O 3.53Å; G214-A226 WeakPolarHBondContact CA-O 3.21Å; G214-D359 PolarHBondContact N-O 3Å; G214-F360 CarbonylContact O-C 3.51Å; G214-F360 WeakPolarHBondContact O-CA 3.41Å; G214-M361 PolarHBondContact O-N 2.98Å
215	S	98.1	Very high	91.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.2	-171.5	178.4	0	0	0	0	109.5	W185 I225 A226 Y363	W185-S215 PolarHBondContact N-OG 3.01Å; S215-I225 CarbonylContact O-C 3.36Å; S215-I225 WeakPolarHBondContact O-CA 3.47Å; S215-A226 PolarHBondContact N-O 3.46Å; S215-A226 PolarHBondContact O-N 2.66Å; S215-Y363 WeakPolarHBondContact OG-CE1 3.25Å; S215-Y363 PolarHBondContact OG-OH 2.67Å
216	M	98.4	Very high	91.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.2	177	-66.4	-171.4	-76	0	0	110.6	Q224 I225 F360 M361 A362 Y363 F366 L425 Y429 F431 I439	M216-Q224 VanDerWaalsContact CA-O 3.32Å; M216-Q224 WeakPolarHBondContact CA-O 3.44Å; M216-I225 HydrophobicContact CG-CB 4.45Å; M216-I225 HydrophobicContact CG-CG1 4.18Å; M216-I225 HydrophobicContact SD-CD1 4.49Å; M216-F360 HydrophobicContact CE-CB 3.71Å; M216-F360 HydrophobicContact CE-CD1 4.16Å; M216-F360 HydrophobicContact CE-CG 4.2Å; M216-F360 HydrophobicContact CG-CD1 4.09Å; M216-F360 HydrophobicContact SD-CD1 4.37Å; M216-M361 PolarHBondContact N-O 2.91Å; M216-A362 HydrophobicContact CB-CB 4.37Å; M216-A362 HydrophobicContact CE-CB 4.04Å; M216-Y363 WeakPolarHBondContact O-CD1 3.49Å; M216-Y363 WeakPolarHBondContact O-CE1 3.22Å; M216-Y363 PolarHBondContact O-N 3.4Å; M216-F366 HydrophobicContact CB-CD2 4.17Å; M216-F366 HydrophobicContact CB-CE2 3.79Å; M216-L425 HydrophobicContact CE-CD2 3.9Å; M216-L425 HydrophobicContact SD-CD2 3.53Å; M216-L425 VanDerWaalsContact SD-CD2 3.53Å; M216-Y429 HydrophobicContact CG-CE2 4.5Å; M216-Y429 HydrophobicContact SD-CD2 3.65Å; M216-Y429 HydrophobicContact SD-CE2 3.91Å; M216-F431 HydrophobicContact CE-CE2 3.92Å; M216-F431 HydrophobicContact CE-CZ 3.94Å; M216-F431 HydrophobicContact SD-CE2 3.76Å; M216-F431 HydrophobicContact SD-CZ 4.19Å; M216-I439 HydrophobicContact CE-CD1 4.23Å; M216-I439 HydrophobicContact CE-CG1 4.14Å; M216-I439 HydrophobicContact CE-CG2 3.88Å
217	D	97.8	Very high	92.5	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.08	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.9	179.1	-161.8	-18.7	0	0	0	109.9	T223 Q224 Y363 A364	D217-T223 CarbonylContact O-C 3.46Å; D217-T223 WeakPolarHBondContact O-CA 3.24Å; D217-T223 WeakPolarHBondContact O-CB 3.4Å; D217-T223 PolarHBondContact O-OG1 3.2Å; D217-Q224 HydrophobicContact CB-CB 4.2Å; D217-Q224 PolarHBondContact N-O 3.19Å; D217-Q224 PolarHBondContact O-N 3.3Å; D217-Y363 HydrophobicContact CB-CE2 3.7Å; D217-Y363 VanDerWaalsContact OD2-CE2 3.28Å; D217-Y363 WeakPolarHBondContact OD2-CE2 3.33Å; D217-A364 VanDerWaalsContact OD1-CB 3.27Å; D217-A364 WeakPolarHBondContact OD1-CB 3.09Å
218	L	97.8	Very high	93	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	95.8	170.8	179.7	59.1	0	0	0	109.5	K260 G365 F366 I369 Y420 V421	L218-K260 HydrophobicContact CD1-CB 4.38Å; L218-K260 HydrophobicContact CD2-CB 4.48Å; L218-K260 HydrophobicContact CG-CB 4.35Å; L218-G365 WeakPolarHBondContact O-CA 3.36Å; L218-G365 PolarHBondContact O-N 3.29Å; L218-F366 HydrophobicContact CB-CD1 4.41Å; L218-F366 HydrophobicContact CB-CD2 3.5Å; L218-F366 HydrophobicContact CB-CE1 4.47Å; L218-F366 HydrophobicContact CB-CE2 3.57Å; L218-F366 HydrophobicContact CB-CG 3.95Å; L218-F366 HydrophobicContact CB-CZ 4.07Å; L218-F366 HydrophobicContact CD2-CD1 4.26Å; L218-F366 HydrophobicContact CD2-CE1 4.34Å; L218-F366 HydrophobicContact CD2-CG 4.46Å; L218-I369 HydrophobicContact CD2-CD1 3.84Å; L218-Y420 HydrophobicContact CD1-CE1 3.92Å; L218-Y420 HydrophobicContact CD2-CE1 4.43Å; L218-V421 HydrophobicContact CD2-CG2 3.98Å
219	G	95.5	Very high	93.9	Very high	24 Å²	24	20.8 Å²	20.8	25%	0.247	14%	0.138	C	C	.	.			trans	-83.9	-174.3	173.3	0	0	0	0	0	113.2	S222 G259 K260	G219-S222 CarbonylContact C-O 3.37Å; G219-S222 WeakPolarHBondContact CA-O 3.42Å; G219-S222 PolarHBondContact N-O 3.04Å; G219-G259 CarbonylContact O-C 3.34Å; G219-G259 VanDerWaalsContact O-CA 3.24Å; G219-G259 WeakPolarHBondContact O-CA 3.21Å; G219-K260 PolarHBondContact O-N 2.99Å
220	G	94.3	Very high	94.5	Very high	10 Å²	10	25.5 Å²	25.5	10%	0.103	14%	0.139	C	C	.	.	S	Bend	trans	-74.7	-38.3	176.8	0	0	0	0	0	113.2	G259 K260 N261 E262	G220-G259 CarbonylContact O-C 3.55Å; G220-G259 WeakPolarHBondContact O-CA 3.26Å; G220-K260 PolarHBondContact O-N 3.27Å; G220-N261 WeakPolarHBondContact O-CA 3.44Å; G220-N261 WeakPolarHBondContact O-CB 3.35Å; G220-N261 PolarHBondContact O-N 2.96Å; G220-E262 PolarHBondContact O-N 2.96Å
221	A	97	Very high	94.9	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	16%	0.163	C	C	.	.	S	Bend	trans	-113	-18.4	-173.7	0	0	0	0	0	115.4	A138 L142 C257 G259 E262	A138-A221 HydrophobicContact CB-CB 3.56Å; L142-A221 HydrophobicContact CD1-CB 3.64Å; A221-C257 WeakPolarHBondContact O-CA 3.47Å; A221-C257 PolarHBondContact O-N 2.81Å; A221-G259 VanDerWaalsContact C-CA 3.49Å; A221-G259 PolarHBondContact O-N 3.06Å; A221-E262 HydrophobicContact CB-CG 4.14Å
222	S	98.1	Very high	94.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	167.4	171.7	62.7	0	0	0	0	111.7	A138 R141 G219 Q224 F255 G259	A138-S222 WeakPolarHBondContact CB-OG 3.35Å; R141-S222 PolarHBondContact NH2-OG 2.83Å; G219-S222 CarbonylContact C-O 3.37Å; G219-S222 WeakPolarHBondContact CA-O 3.42Å; G219-S222 PolarHBondContact N-O 3.04Å; S222-Q224 PolarHBondContact OG-NE2 2.97Å; S222-F255 VanDerWaalsContact CA-O 3.26Å; S222-F255 WeakPolarHBondContact CA-O 3.1Å; S222-F255 WeakPolarHBondContact CB-O 3.32Å; S222-G259 VanDerWaalsContact C-CA 3.44Å; S222-G259 VanDerWaalsContact CA-N 3.3Å; S222-G259 VanDerWaalsContact N-CA 3.32Å; S222-G259 WeakPolarHBondContact O-CA 3.35Å
223	T	98.6	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.8	163.8	-178.7	0	0	0	0	109.4	D217 S254 F255 Y258 L424 Y429	D217-T223 CarbonylContact O-C 3.46Å; D217-T223 WeakPolarHBondContact O-CA 3.24Å; D217-T223 WeakPolarHBondContact O-CB 3.4Å; D217-T223 PolarHBondContact O-OG1 3.2Å; T223-S254 CarbonylContact O-C 3.47Å; T223-S254 WeakPolarHBondContact O-CA 3.38Å; T223-F255 HydrophobicContact CG2-CB 3.95Å; T223-F255 HydrophobicContact CG2-CD2 4.27Å; T223-F255 PolarHBondContact N-O 2.93Å; T223-F255 PolarHBondContact O-N 3.48Å; T223-Y258 WeakPolarHBondContact CG2-O 3.48Å; T223-L424 HydrophobicContact CG2-CD2 4Å; T223-Y429 WeakPolarHBondContact CG2-OH 3.49Å; T223-Y429 PolarHBondContact OG1-OH 3.22Å
224	Q	98.5	Very high	92.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.8	-178	-72.5	76.6	3.3	0	0	109.8	E180 M216 D217 S222 H253 S254	E180-Q224 PolarHBondContact OE2-NE2 2.7Å; M216-Q224 VanDerWaalsContact CA-O 3.32Å; M216-Q224 WeakPolarHBondContact CA-O 3.44Å; D217-Q224 HydrophobicContact CB-CB 4.2Å; D217-Q224 PolarHBondContact N-O 3.19Å; D217-Q224 PolarHBondContact O-N 3.3Å; S222-Q224 PolarHBondContact OG-NE2 2.97Å; Q224-H253 WeakPolarHBondContact CA-O 3.48Å; Q224-S254 PolarHBondContact NE2-OG 2.9Å
225	I	98.6	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.5	164.1	-178.6	167.4	0	0	0	107.7	S215 M216 F227 Y251 T252 H253 F255 V356 F360 Y429	S215-I225 CarbonylContact O-C 3.36Å; S215-I225 WeakPolarHBondContact O-CA 3.47Å; M216-I225 HydrophobicContact CG-CB 4.45Å; M216-I225 HydrophobicContact CG-CG1 4.18Å; M216-I225 HydrophobicContact SD-CD1 4.49Å; I225-F227 HydrophobicContact CD1-CD1 4.23Å; I225-F227 HydrophobicContact CD1-CE1 4Å; I225-F227 HydrophobicContact CG1-CD1 3.97Å; I225-F227 HydrophobicContact CG1-CE1 4.1Å; I225-Y251 HydrophobicContact CG2-CE1 4.15Å; I225-T252 VanDerWaalsContact O-CA 3.28Å; I225-T252 WeakPolarHBondContact O-CA 3.47Å; I225-H253 HydrophobicContact CG2-CB 4.5Å; I225-H253 PolarHBondContact N-O 3.34Å; I225-H253 VanDerWaalsContact N-O 3.14Å; I225-H253 PolarHBondContact O-N 2.76Å; I225-F255 HydrophobicContact CG2-CE2 4.26Å; I225-V356 HydrophobicContact CD1-CG1 4.2Å; I225-F360 HydrophobicContact CD1-CE1 4.22Å; I225-F360 HydrophobicContact CG1-CE1 4.26Å; I225-Y429 HydrophobicContact CB-CE1 4.31Å; I225-Y429 HydrophobicContact CB-CE2 4.13Å; I225-Y429 HydrophobicContact CD1-CD1 4.19Å; I225-Y429 HydrophobicContact CD1-CD2 3.92Å; I225-Y429 HydrophobicContact CD1-CE2 4.35Å; I225-Y429 HydrophobicContact CD1-CG 3.84Å; I225-Y429 HydrophobicContact CG2-CD1 4.43Å; I225-Y429 HydrophobicContact CG2-CE1 3.98Å
226	A	98.3	Very high	91.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	130.4	177	0	0	0	0	0	111.5	G181 W185 G214 S215 V250 Y251	G181-A226 WeakPolarHBondContact O-CB 3.33Å; W185-A226 HydrophobicContact CB-CB 3.84Å; W185-A226 HydrophobicContact CG-CB 4.45Å; G214-A226 CarbonylContact C-O 3.53Å; G214-A226 WeakPolarHBondContact CA-O 3.21Å; S215-A226 PolarHBondContact N-O 3.46Å; S215-A226 PolarHBondContact O-N 2.66Å; A226-V250 HydrophobicContact CB-CG1 4.14Å; A226-Y251 CarbonylContact C-O 3.59Å; A226-Y251 WeakPolarHBondContact CA-O 3.28Å
227	F	97.5	Very high	91	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.2	177.1	57.5	-83.8	0	0	0	111.3	I225 V229 V250 Y251 P354 V356 F360	I225-F227 HydrophobicContact CD1-CD1 4.23Å; I225-F227 HydrophobicContact CD1-CE1 4Å; I225-F227 HydrophobicContact CG1-CD1 3.97Å; I225-F227 HydrophobicContact CG1-CE1 4.1Å; F227-V229 HydrophobicContact CD2-CG1 4.13Å; F227-V229 HydrophobicContact CE2-CG1 3.89Å; F227-V250 WeakPolarHBondContact O-CA 3.4Å; F227-Y251 AromaticContact CD1-CD1 4Å; F227-Y251 HydrophobicContact CD1-CD1 4Å; F227-Y251 AromaticContact CE1-CD1 3.4Å; F227-Y251 HydrophobicContact CE1-CD1 3.4Å; F227-Y251 AromaticContact CE1-CE1 3.88Å; F227-Y251 HydrophobicContact CE1-CE1 3.88Å; F227-Y251 HydrophobicContact CE1-CG 4.4Å; F227-Y251 AromaticContact CZ-CD1 3.77Å; F227-Y251 HydrophobicContact CZ-CD1 3.77Å; F227-Y251 HydrophobicContact CZ-CE1 4.38Å; F227-Y251 HydrophobicContact CZ-CG 4.42Å; F227-Y251 PolarHBondContact N-O 3.29Å; F227-Y251 PolarHBondContact O-N 2.64Å; F227-P354 HydrophobicContact CE2-CB 4.19Å; F227-P354 HydrophobicContact CZ-CB 4.09Å; F227-V356 HydrophobicContact CE1-CG1 4.42Å; F227-F360 HydrophobicContact CB-CE1 3.84Å; F227-F360 HydrophobicContact CB-CZ 3.82Å; F227-F360 AromaticContact CD1-CE1 3.72Å; F227-F360 HydrophobicContact CD1-CE1 3.72Å; F227-F360 AromaticContact CD1-CZ 3.79Å; F227-F360 HydrophobicContact CD1-CZ 3.79Å; F227-F360 HydrophobicContact CD2-CZ 4.36Å; F227-F360 HydrophobicContact CE1-CZ 4.42Å; F227-F360 AromaticContact CG-CE1 3.97Å; F227-F360 HydrophobicContact CG-CE1 3.97Å; F227-F360 AromaticContact CG-CZ 3.75Å; F227-F360 HydrophobicContact CG-CZ 3.75Å
228	Q	95.3	Very high	90.9	Very high	48 Å²	48	51.5 Å²	51.5	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	138.9	178.2	179.9	174	-15.4	0	0	110.4	W185 T212 T249	W185-Q228 HydrophobicContact CZ2-CB 3.97Å; T212-Q228 WeakPolarHBondContact OG1-CB 3.3Å; T212-Q228 PolarHBondContact OG1-OE1 3.28Å; T212-Q228 VanDerWaalsContact OG1-OE1 3.07Å; Q228-T249 WeakPolarHBondContact CA-O 3.35Å
229	V	92.9	Very high	90.7	Very high	21 Å²	21	54.4 Å²	54.4	13%	0.127	29%	0.289	C	S	.	.			trans	-120.5	146.9	172	-66.3	0	0	0	0	109.7	F227 E231 Y238 T249 P354	F227-V229 HydrophobicContact CD2-CG1 4.13Å; F227-V229 HydrophobicContact CE2-CG1 3.89Å; V229-E231 WeakPolarHBondContact CG2-O 3.39Å; V229-Y238 HydrophobicContact CG2-CD1 4.06Å; V229-Y238 HydrophobicContact CG2-CE1 4.24Å; V229-T249 HydrophobicContact CG2-CG2 3.93Å; V229-T249 PolarHBondContact N-O 3.02Å; V229-P354 HydrophobicContact CG1-CB 4.31Å; V229-P354 HydrophobicContact CG1-CG 4.2Å
230	Q	82.6	Confident	90.6	Very high	178 Å²	178	57.8 Å²	57.8	83%	0.832	31%	0.309	S	S	*	.	S	Bend	trans	-78.4	-36.6	-178.3	-64.6	-64.9	-16.4	0	0	112.3
231	E	77.1	Confident	90.4	Very high	164 Å²	164	58.1 Å²	58.1	77%	0.766	31%	0.309	S	S	*	.	S	Bend	trans	-93.4	146.2	179.8	-64.9	-174.6	175.5	0	0	111.2	V229 G233	V229-E231 WeakPolarHBondContact CG2-O 3.39Å; E231-G233 PolarHBondContact O-N 2.9Å
232	R	70.3	Confident	90.1	Very high	218 Å²	218	62.6 Å²	62.6	82%	0.823	33%	0.328	S	S	*	.			trans	-71.6	99.7	169.8	-72.8	-177.2	-177.6	165.9	1.7	108.2
233	G	72.2	Confident	89.8	Confident	27 Å²	27	62.6 Å²	62.6	28%	0.278	33%	0.328	S	S	.	.			trans	-69.8	157.4	165	0	0	0	0	0	111.4	E231 Y238	E231-G233 PolarHBondContact O-N 2.9Å; G233-Y238 VanDerWaalsContact C-CD2 3.48Å
234	E	78	Confident	89.3	Confident	185 Å²	185	62.7 Å²	62.7	86%	0.864	33%	0.328	S	S	*	.			trans	-100.8	142.4	177	-64.6	-174.1	168.7	0	0	110.2	Y238	E234-Y238 VanDerWaalsContact O-CD2 3.26Å; E234-Y238 WeakPolarHBondContact O-CD2 3.15Å; E234-Y238 WeakPolarHBondContact O-CE2 3.12Å
235	G	86.3	Confident	88.8	Confident	59 Å²	59	64 Å²	64	61%	0.608	34%	0.342	S	S	*	.	S	Bend	trans	116.4	179	174.4	0	0	0	0	0	114.6	D237 Y238	G235-D237 VanDerWaalsContact C-N 3.26Å; G235-D237 PolarHBondContact O-N 3.35Å; G235-Y238 PolarHBondContact O-N 3.33Å
236	A	89.9	Confident	88.3	Confident	66 Å²	66	68.7 Å²	68.7	55%	0.545	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.3	-170.9	0	0	0	0	0	113.9	K239	A236-K239 WeakPolarHBondContact O-CE 3.4Å; A236-K239 PolarHBondContact O-NZ 2.73Å
237	D	95	Very high	87.9	Confident	30 Å²	30	73.9 Å²	73.9	16%	0.16	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.3	-176.3	-66.3	-24.6	0	0	0	113.3	Q178 G235 Y251 T252 H253	Q178-D237 WeakPolarHBondContact CG-OD1 3.33Å; Q178-D237 PolarHBondContact NE2-OD1 2.86Å; G235-D237 VanDerWaalsContact C-N 3.26Å; G235-D237 PolarHBondContact O-N 3.35Å; D237-Y251 HydrophobicContact CB-CD2 4.26Å; D237-Y251 HydrophobicContact CB-CE2 4.05Å; D237-Y251 CarbonylContact O-C 3.6Å; D237-Y251 WeakPolarHBondContact O-CA 3.44Å; D237-T252 VanDerWaalsContact CA-O 3.3Å; D237-T252 WeakPolarHBondContact CA-O 3.46Å; D237-T252 VanDerWaalsContact CB-O 3.24Å; D237-T252 WeakPolarHBondContact CB-O 3.24Å; D237-T252 PolarHBondContact O-N 3.31Å; D237-H253 IonicContact OD1-ND1 2.82Å; D237-H253 PolarHBondContact OD1-ND1 2.97Å; D237-H253 IonicContact OD2-CE1 3.95Å; D237-H253 IonicContact OD2-CG 3.12Å; D237-H253 IonicContact OD2-ND1 2.73Å; D237-H253 PolarHBondContact OD2-ND1 2.94Å
238	Y	95	Very high	87.6	Confident	37 Å²	37	74.4 Å²	74.4	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.6	172.7	-61.6	-87.2	0	0	0	109.2	V229 G233 E234 G235 Y251 E352 P354	V229-Y238 HydrophobicContact CG2-CD1 4.06Å; V229-Y238 HydrophobicContact CG2-CE1 4.24Å; G233-Y238 VanDerWaalsContact C-CD2 3.48Å; E234-Y238 VanDerWaalsContact O-CD2 3.26Å; E234-Y238 WeakPolarHBondContact O-CD2 3.15Å; E234-Y238 WeakPolarHBondContact O-CE2 3.12Å; G235-Y238 PolarHBondContact O-N 3.33Å; Y238-Y251 HydrophobicContact CD1-CD2 4.44Å; Y238-Y251 AromaticContact CE1-CD2 3.97Å; Y238-Y251 HydrophobicContact CE1-CD2 3.97Å; Y238-E352 PolarHBondContact OH-OE1 2.89Å; Y238-P354 HydrophobicContact CE1-CG 4.11Å; Y238-P354 WeakPolarHBondContact OH-CG 3.31Å
239	K	94.4	Very high	87.5	Confident	64 Å²	64	73.3 Å²	73.3	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.2	-178.8	-61.9	-57.1	-171.7	-160.1	0	111	Q178 L182 A236 T249 V250 T252	Q178-K239 HydrophobicContact CB-CG 4.48Å; L182-K239 HydrophobicContact CD1-CB 4.37Å; L182-K239 HydrophobicContact CD2-CB 3.96Å; L182-K239 HydrophobicContact CD2-CG 4.38Å; A236-K239 WeakPolarHBondContact O-CE 3.4Å; A236-K239 PolarHBondContact O-NZ 2.73Å; K239-T249 WeakPolarHBondContact O-CA 3.42Å; K239-V250 PolarHBondContact N-O 2.91Å; K239-V250 PolarHBondContact O-N 2.83Å; K239-T252 HydrophobicContact CB-CG2 4.36Å; K239-T252 HydrophobicContact CG-CG2 3.66Å
240	S	91.9	Very high	87.7	Confident	95 Å²	95	72.3 Å²	72.3	66%	0.664	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.3	171	-59.7	0	0	0	0	110.6	Y248	S240-Y248 VanDerWaalsContact CA-O 3.31Å; S240-Y248 WeakPolarHBondContact CA-O 3.41Å
241	V	91.4	Very high	88.4	Confident	18 Å²	18	63.9 Å²	63.9	11%	0.109	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.5	174.7	67	0	0	0	0	109.7	L182 W185 I186 L243 P247 Y248	L182-V241 HydrophobicContact CD1-CG1 4.25Å; W185-V241 HydrophobicContact CZ3-CG1 4.44Å; I186-V241 HydrophobicContact CD1-CG1 4.37Å; I186-V241 HydrophobicContact CD1-CG2 4.08Å; V241-L243 HydrophobicContact CG1-CD1 4.37Å; V241-L243 HydrophobicContact CG2-CD2 4.29Å; V241-L243 HydrophobicContact CG2-CG 4.11Å; V241-P247 CarbonylContact O-C 3.52Å; V241-P247 WeakPolarHBondContact O-CA 3.49Å; V241-Y248 PolarHBondContact N-O 2.69Å; V241-Y248 PolarHBondContact O-N 3.31Å
242	K	90.6	Very high	89.3	Confident	97 Å²	97	56.1 Å²	56.1	42%	0.422	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.3	173.5	-173.2	-170.9	172.4	-152.6	0	109.1	E77 G245 Y246 N462	E77-K242 IonicContact OE2-NZ 3.68Å; E77-K242 PolarHBondContact OE2-NZ 2.92Å; K242-G245 VanDerWaalsContact CE-O 3.3Å; K242-G245 WeakPolarHBondContact CE-O 3.21Å; K242-Y246 WeakPolarHBondContact CA-O 3.36Å; K242-N462 PolarHBondContact O-ND2 2.86Å
243	L	90.5	Very high	90.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.5	-179.9	-64.9	170.5	0	0	0	109.3	I186 F195 V241 G245 Y246 Y248	I186-L243 HydrophobicContact CB-CD1 4.39Å; I186-L243 HydrophobicContact CD1-CD1 4.06Å; I186-L243 HydrophobicContact CG1-CD1 3.86Å; I186-L243 HydrophobicContact CG2-CD1 3.77Å; I186-L243 HydrophobicContact CG2-CD2 4.49Å; F195-L243 HydrophobicContact CD2-CD1 4.09Å; F195-L243 HydrophobicContact CE1-CD1 4.34Å; F195-L243 HydrophobicContact CE2-CD1 3.61Å; F195-L243 HydrophobicContact CZ-CD1 3.74Å; V241-L243 HydrophobicContact CG1-CD1 4.37Å; V241-L243 HydrophobicContact CG2-CD2 4.29Å; V241-L243 HydrophobicContact CG2-CG 4.11Å; L243-G245 PolarHBondContact O-N 2.81Å; L243-G245 VanDerWaalsContact O-N 3.11Å; L243-Y246 PolarHBondContact N-O 3.24Å; L243-Y246 PolarHBondContact O-N 3.41Å; L243-Y248 HydrophobicContact CB-CD2 4.49Å; L243-Y248 HydrophobicContact CB-CE2 4.25Å
244	Y	89.7	Confident	91.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	34.1	-180	-55	-78	0	0	0	113.8	E75 N76 T78 G79 V80 Y190 F195 L196 Y246 L458	E75-Y244 HydrophobicContact CB-CD1 3.84Å; E75-Y244 HydrophobicContact CB-CE1 4.18Å; E75-Y244 WeakPolarHBondContact O-CD1 3.31Å; N76-Y244 WeakPolarHBondContact CB-O 3.5Å; N76-Y244 PolarHBondContact ND2-O 2.91Å; T78-Y244 HydrophobicContact CG2-CD1 4.07Å; T78-Y244 HydrophobicContact CG2-CD2 4.33Å; T78-Y244 HydrophobicContact CG2-CE1 3.59Å; T78-Y244 HydrophobicContact CG2-CE2 3.92Å; T78-Y244 HydrophobicContact CG2-CG 4.4Å; T78-Y244 PolarHBondContact OG1-N 2.78Å; G79-Y244 PolarHBondContact O-OH 3.45Å; V80-Y244 HydrophobicContact CG2-CE1 4.46Å; Y190-Y244 HydrophobicContact CD2-CE2 4.32Å; Y190-Y244 WeakPolarHBondContact CD2-OH 3.32Å; Y190-Y244 WeakPolarHBondContact CE2-OH 3.03Å; F195-Y244 HydrophobicContact CB-CD2 3.71Å; F195-Y244 HydrophobicContact CB-CE2 3.89Å; F195-Y244 HydrophobicContact CD2-CE2 4.48Å; L196-Y244 HydrophobicContact CB-CE2 4.49Å; L196-Y244 HydrophobicContact CD1-CD1 4.28Å; L196-Y244 HydrophobicContact CD1-CG 4.48Å; L196-Y244 HydrophobicContact CD2-CD1 4.01Å; L196-Y244 HydrophobicContact CD2-CE1 3.76Å; Y244-Y246 WeakPolarHBondContact O-CD2 3.32Å; Y244-Y246 VanDerWaalsContact O-CE2 3.25Å; Y244-Y246 WeakPolarHBondContact O-CE2 3.41Å; Y244-L458 VanDerWaalsContact OH-CD2 3.3Å; Y244-L458 WeakPolarHBondContact OH-CD2 3.04Å
245	G	86.6	Confident	92.9	Very high	30 Å²	30	37.8 Å²	37.8	31%	0.309	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-17.1	-177.3	0	0	0	0	0	115.3	N76 K242 L243	N76-G245 PolarHBondContact O-N 2.87Å; K242-G245 VanDerWaalsContact CE-O 3.3Å; K242-G245 WeakPolarHBondContact CE-O 3.21Å; L243-G245 PolarHBondContact O-N 2.81Å; L243-G245 VanDerWaalsContact O-N 3.11Å
246	Y	88.6	Confident	93.4	Very high	99 Å²	99	36.8 Å²	36.8	39%	0.388	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.7	-170.3	-61.5	-89.7	0	0	0	112.3	H206 K242 L243 Y244 Y248	H206-Y246 HydrophobicContact CB-CD2 4.33Å; H206-Y246 HydrophobicContact CB-CE1 4.34Å; H206-Y246 HydrophobicContact CB-CE2 3.5Å; H206-Y246 VanDerWaalsContact CB-CZ 3.5Å; H206-Y246 WeakPolarHBondContact CB-OH 3.33Å; H206-Y246 AromaticContact CD2-CD2 3.33Å; H206-Y246 WeakPolarHBondContact CD2-CD2 3.32Å; H206-Y246 AromaticContact CD2-CE2 3.42Å; H206-Y246 VanDerWaalsContact CD2-CE2 3.42Å; H206-Y246 WeakPolarHBondContact CD2-CE2 3.34Å; H206-Y246 AromaticContact CD2-CG 3.71Å; H206-Y246 AromaticContact CD2-CZ 3.85Å; H206-Y246 AromaticContact CG-CD2 3.96Å; H206-Y246 AromaticContact CG-CE2 3.57Å; H206-Y246 AromaticContact CG-CZ 3.59Å; H206-Y246 AromaticContact NE2-CD2 3.99Å; H206-Y246 AromaticContact NE2-CG 3.9Å; K242-Y246 WeakPolarHBondContact CA-O 3.36Å; L243-Y246 PolarHBondContact N-O 3.24Å; L243-Y246 PolarHBondContact O-N 3.41Å; Y244-Y246 WeakPolarHBondContact O-CD2 3.32Å; Y244-Y246 VanDerWaalsContact O-CE2 3.25Å; Y244-Y246 WeakPolarHBondContact O-CE2 3.41Å; Y246-Y248 VanDerWaalsContact O-CD2 3.31Å; Y246-Y248 WeakPolarHBondContact O-CD2 3.39Å; Y246-Y248 WeakPolarHBondContact O-CE2 3.23Å
247	P	89.9	Confident	93.8	Very high	109 Å²	109	34.4 Å²	34.4	71%	0.708	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.1	175.4	33	-32.9	0	0	0	111.3	V241	V241-P247 CarbonylContact O-C 3.52Å; V241-P247 WeakPolarHBondContact O-CA 3.49Å
248	Y	91.4	Very high	94	Very high	14 Å²	14	33.9 Å²	33.9	6%	0.055	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.1	174.8	-63.4	-88.6	0	0	0	109.7	W185 F195 H206 T212 S240 V241 L243 Y246	W185-Y248 AromaticContact CH2-CD1 3.73Å; W185-Y248 HydrophobicContact CH2-CD1 3.73Å; W185-Y248 HydrophobicContact CH2-CE1 4.43Å; W185-Y248 AromaticContact CH2-CG 3.84Å; W185-Y248 HydrophobicContact CH2-CG 3.84Å; W185-Y248 HydrophobicContact CZ2-CD1 4.47Å; W185-Y248 HydrophobicContact CZ3-CG 4.43Å; F195-Y248 HydrophobicContact CD1-CE1 4.18Å; F195-Y248 HydrophobicContact CD1-CE2 4.02Å; F195-Y248 AromaticContact CD1-CZ 3.61Å; F195-Y248 WeakPolarHBondContact CD1-OH 3.24Å; F195-Y248 HydrophobicContact CE1-CD1 4.4Å; F195-Y248 HydrophobicContact CE1-CD2 4.47Å; F195-Y248 AromaticContact CE1-CE1 3.93Å; F195-Y248 HydrophobicContact CE1-CE1 3.93Å; F195-Y248 HydrophobicContact CE1-CE2 4.03Å; F195-Y248 AromaticContact CE1-CZ 3.73Å; H206-Y248 PolarHBondContact NE2-OH 3.04Å; T212-Y248 HydrophobicContact CG2-CD1 4.4Å; T212-Y248 HydrophobicContact CG2-CE1 4.05Å; S240-Y248 VanDerWaalsContact CA-O 3.31Å; S240-Y248 WeakPolarHBondContact CA-O 3.41Å; V241-Y248 PolarHBondContact N-O 2.69Å; V241-Y248 PolarHBondContact O-N 3.31Å; L243-Y248 HydrophobicContact CB-CD2 4.49Å; L243-Y248 HydrophobicContact CB-CE2 4.25Å; Y246-Y248 VanDerWaalsContact O-CD2 3.31Å; Y246-Y248 WeakPolarHBondContact O-CD2 3.39Å; Y246-Y248 WeakPolarHBondContact O-CE2 3.23Å
249	T	93.6	Very high	94.1	Very high	26 Å²	26	32.1 Å²	32.1	16%	0.16	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.6	168.8	-54.1	0	0	0	0	108.1	Q228 V229 K239	Q228-T249 WeakPolarHBondContact CA-O 3.35Å; V229-T249 HydrophobicContact CG2-CG2 3.93Å; V229-T249 PolarHBondContact N-O 3.02Å; K239-T249 WeakPolarHBondContact O-CA 3.42Å
250	V	95.9	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.3	-173.1	-179.6	0	0	0	0	107.9	L182 W185 A226 F227 K239	L182-V250 HydrophobicContact CD1-CB 3.88Å; L182-V250 HydrophobicContact CD1-CG1 4.07Å; L182-V250 HydrophobicContact CD1-CG2 3.9Å; W185-V250 HydrophobicContact CD2-CG1 4.2Å; W185-V250 HydrophobicContact CD2-CG2 3.9Å; W185-V250 HydrophobicContact CE3-CG1 4.49Å; W185-V250 HydrophobicContact CE3-CG2 3.63Å; W185-V250 HydrophobicContact CG-CG1 4.25Å; W185-V250 HydrophobicContact CH2-CG2 3.74Å; W185-V250 HydrophobicContact CZ2-CG2 3.98Å; W185-V250 HydrophobicContact CZ3-CG2 3.55Å; A226-V250 HydrophobicContact CB-CG1 4.14Å; F227-V250 WeakPolarHBondContact O-CA 3.4Å; K239-V250 PolarHBondContact N-O 2.91Å; K239-V250 PolarHBondContact O-N 2.83Å
251	Y	97.2	Very high	94.5	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.8	161.4	167.8	-92.9	0	0	0	107.5	I225 A226 F227 D237 Y238 H253 E352 Q353 P354	I225-Y251 HydrophobicContact CG2-CE1 4.15Å; A226-Y251 CarbonylContact C-O 3.59Å; A226-Y251 WeakPolarHBondContact CA-O 3.28Å; F227-Y251 AromaticContact CD1-CD1 4Å; F227-Y251 HydrophobicContact CD1-CD1 4Å; F227-Y251 AromaticContact CE1-CD1 3.4Å; F227-Y251 HydrophobicContact CE1-CD1 3.4Å; F227-Y251 AromaticContact CE1-CE1 3.88Å; F227-Y251 HydrophobicContact CE1-CE1 3.88Å; F227-Y251 HydrophobicContact CE1-CG 4.4Å; F227-Y251 AromaticContact CZ-CD1 3.77Å; F227-Y251 HydrophobicContact CZ-CD1 3.77Å; F227-Y251 HydrophobicContact CZ-CE1 4.38Å; F227-Y251 HydrophobicContact CZ-CG 4.42Å; F227-Y251 PolarHBondContact N-O 3.29Å; F227-Y251 PolarHBondContact O-N 2.64Å; D237-Y251 HydrophobicContact CB-CD2 4.26Å; D237-Y251 HydrophobicContact CB-CE2 4.05Å; D237-Y251 CarbonylContact O-C 3.6Å; D237-Y251 WeakPolarHBondContact O-CA 3.44Å; Y238-Y251 HydrophobicContact CD1-CD2 4.44Å; Y238-Y251 AromaticContact CE1-CD2 3.97Å; Y238-Y251 HydrophobicContact CE1-CD2 3.97Å; Y251-H253 HydrophobicContact CE1-CB 4.38Å; Y251-H253 WeakPolarHBondContact OH-CB 3.17Å; Y251-E352 PolarHBondContact OH-O 3.45Å; Y251-Q353 HydrophobicContact CE1-CB 4.47Å; Y251-Q353 HydrophobicContact CE1-CG 3.75Å; Y251-P354 VanDerWaalsContact CD2-CD 3.46Å; Y251-P354 HydrophobicContact CD2-CG 4Å; Y251-P354 HydrophobicContact CG-CG 4.08Å
252	T	97.9	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	130	176.5	-179.5	0	0	0	0	110.9	Q178 L182 I225 D237 K239	Q178-T252 HydrophobicContact CB-CG2 3.85Å; Q178-T252 HydrophobicContact CG-CG2 4.25Å; Q178-T252 WeakPolarHBondContact O-CG2 3.49Å; Q178-T252 PolarHBondContact O-OG1 2.96Å; L182-T252 HydrophobicContact CB-CG2 4.38Å; I225-T252 VanDerWaalsContact O-CA 3.28Å; I225-T252 WeakPolarHBondContact O-CA 3.47Å; D237-T252 VanDerWaalsContact CA-O 3.3Å; D237-T252 WeakPolarHBondContact CA-O 3.46Å; D237-T252 VanDerWaalsContact CB-O 3.24Å; D237-T252 WeakPolarHBondContact CB-O 3.24Å; D237-T252 PolarHBondContact O-N 3.31Å; K239-T252 HydrophobicContact CB-CG2 4.36Å; K239-T252 HydrophobicContact CG-CG2 3.66Å
253	H	98.1	Very high	95.1	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.111	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.6	175.2	-165.3	85.9	0	0	0	110.7	Q224 I225 D237 Y251 F255 V351	Q224-H253 WeakPolarHBondContact CA-O 3.48Å; I225-H253 HydrophobicContact CG2-CB 4.5Å; I225-H253 PolarHBondContact N-O 3.34Å; I225-H253 VanDerWaalsContact N-O 3.14Å; I225-H253 PolarHBondContact O-N 2.76Å; D237-H253 IonicContact OD1-ND1 2.82Å; D237-H253 PolarHBondContact OD1-ND1 2.97Å; D237-H253 IonicContact OD2-CE1 3.95Å; D237-H253 IonicContact OD2-CG 3.12Å; D237-H253 IonicContact OD2-ND1 2.73Å; D237-H253 PolarHBondContact OD2-ND1 2.94Å; Y251-H253 HydrophobicContact CE1-CB 4.38Å; Y251-H253 WeakPolarHBondContact OH-CB 3.17Å; H253-F255 HydrophobicContact CB-CE2 4.35Å; H253-F255 AromaticContact CD2-CD1 3.77Å; H253-F255 AromaticContact CD2-CD2 3.73Å; H253-F255 AromaticContact CD2-CE1 3.55Å; H253-F255 AromaticContact CD2-CE2 3.46Å; H253-F255 VanDerWaalsContact CD2-CE2 3.46Å; H253-F255 WeakPolarHBondContact CD2-CE2 3.48Å; H253-F255 AromaticContact CD2-CG 3.85Å; H253-F255 AromaticContact CD2-CZ 3.36Å; H253-F255 WeakPolarHBondContact CD2-CZ 3.3Å; H253-F255 AromaticContact NE2-CD1 3.89Å; H253-F255 AromaticContact NE2-CE1 3.78Å; H253-V351 VanDerWaalsContact CE1-CG1 3.43Å; H253-V351 WeakPolarHBondContact CE1-CG1 3.35Å
254	S	98.3	Very high	95.5	Very high	13 Å²	13	24.5 Å²	24.5	9%	0.091	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113.2	177	-179.7	0	0	0	0	110.2	R141 G177 T223 Q224 L256	R141-S254 PolarHBondContact NH1-OG 3.28Å; R141-S254 VanDerWaalsContact NH1-OG 3.15Å; R141-S254 PolarHBondContact NH2-OG 2.84Å; G177-S254 VanDerWaalsContact C-CB 3.47Å; G177-S254 WeakPolarHBondContact CA-OG 3.12Å; T223-S254 CarbonylContact O-C 3.47Å; T223-S254 WeakPolarHBondContact O-CA 3.38Å; Q224-S254 PolarHBondContact NE2-OG 2.9Å; S254-L256 PolarHBondContact O-N 3.21Å; S254-L256 VanDerWaalsContact O-N 3.17Å
255	F	98.4	Very high	95.9	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.035	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	90.9	175.9	-60	-87.6	0	0	0	109.1	S222 T223 I225 H253 Y258 S347 F348 V351 Y429	S222-F255 VanDerWaalsContact CA-O 3.26Å; S222-F255 WeakPolarHBondContact CA-O 3.1Å; S222-F255 WeakPolarHBondContact CB-O 3.32Å; T223-F255 HydrophobicContact CG2-CB 3.95Å; T223-F255 HydrophobicContact CG2-CD2 4.27Å; T223-F255 PolarHBondContact N-O 2.93Å; T223-F255 PolarHBondContact O-N 3.48Å; I225-F255 HydrophobicContact CG2-CE2 4.26Å; H253-F255 HydrophobicContact CB-CE2 4.35Å; H253-F255 AromaticContact CD2-CD1 3.77Å; H253-F255 AromaticContact CD2-CD2 3.73Å; H253-F255 AromaticContact CD2-CE1 3.55Å; H253-F255 AromaticContact CD2-CE2 3.46Å; H253-F255 VanDerWaalsContact CD2-CE2 3.46Å; H253-F255 WeakPolarHBondContact CD2-CE2 3.48Å; H253-F255 AromaticContact CD2-CG 3.85Å; H253-F255 AromaticContact CD2-CZ 3.36Å; H253-F255 WeakPolarHBondContact CD2-CZ 3.3Å; H253-F255 AromaticContact NE2-CD1 3.89Å; H253-F255 AromaticContact NE2-CE1 3.78Å; F255-Y258 HydrophobicContact CB-CD2 4Å; F255-Y258 HydrophobicContact CB-CG 4.07Å; F255-Y258 WeakPolarHBondContact O-CB 3.32Å; F255-Y258 PolarHBondContact O-N 2.87Å; F255-S347 VanDerWaalsContact CZ-OG 3.23Å; F255-S347 WeakPolarHBondContact CZ-OG 3.49Å; F255-F348 HydrophobicContact CB-CE2 4.4Å; F255-F348 HydrophobicContact CB-CZ 3.9Å; F255-F348 HydrophobicContact CD1-CD2 4.24Å; F255-F348 AromaticContact CD1-CE1 3.83Å; F255-F348 HydrophobicContact CD1-CE1 3.83Å; F255-F348 AromaticContact CD1-CE2 3.4Å; F255-F348 HydrophobicContact CD1-CE2 3.4Å; F255-F348 VanDerWaalsContact CD1-CE2 3.4Å; F255-F348 AromaticContact CD1-CZ 3.17Å; F255-F348 HydrophobicContact CD1-CZ 3.17Å; F255-F348 HydrophobicContact CD2-CE1 4.14Å; F255-F348 AromaticContact CD2-CZ 3.9Å; F255-F348 HydrophobicContact CD2-CZ 3.9Å; F255-F348 HydrophobicContact CE1-CD1 4.17Å; F255-F348 HydrophobicContact CE1-CD2 4.26Å; F255-F348 AromaticContact CE1-CE1 3.71Å; F255-F348 HydrophobicContact CE1-CE1 3.71Å; F255-F348 AromaticContact CE1-CE2 3.82Å; F255-F348 HydrophobicContact CE1-CE2 3.82Å; F255-F348 HydrophobicContact CE1-CG 4.43Å; F255-F348 AromaticContact CE1-CZ 3.54Å; F255-F348 HydrophobicContact CE1-CZ 3.54Å; F255-F348 HydrophobicContact CE2-CE1 4.08Å; F255-F348 HydrophobicContact CE2-CZ 4.24Å; F255-F348 HydrophobicContact CG-CE1 4.04Å; F255-F348 AromaticContact CG-CE2 4Å; F255-F348 HydrophobicContact CG-CE2 4Å; F255-F348 AromaticContact CG-CZ 3.36Å; F255-F348 HydrophobicContact CG-CZ 3.36Å; F255-F348 HydrophobicContact CZ-CD1 4.39Å; F255-F348 AromaticContact CZ-CE1 3.87Å; F255-F348 HydrophobicContact CZ-CE1 3.87Å; F255-F348 HydrophobicContact CZ-CZ 4.08Å; F255-V351 HydrophobicContact CE1-CB 3.84Å; F255-V351 HydrophobicContact CE1-CG1 3.98Å; F255-V351 HydrophobicContact CE1-CG2 3.76Å; F255-V351 HydrophobicContact CZ-CB 4.2Å; F255-V351 HydrophobicContact CZ-CG1 3.94Å; F255-Y429 HydrophobicContact CD2-CE1 4.09Å; F255-Y429 AromaticContact CE2-CE1 3.59Å; F255-Y429 HydrophobicContact CE2-CE1 3.59Å; F255-Y429 HydrophobicContact CZ-CE1 4.36Å
256	L	97.9	Very high	96.4	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.199	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	145.3	170.3	-169.5	65.4	0	0	0	109.9	A138 R141 L142 M145 S254 Y258	A138-L256 HydrophobicContact CB-CD1 3.72Å; R141-L256 HydrophobicContact CB-CD1 4.39Å; R141-L256 HydrophobicContact CB-CD2 4.43Å; L142-L256 HydrophobicContact CD2-CD1 3.93Å; L142-L256 HydrophobicContact CD2-CD2 3.91Å; L142-L256 HydrophobicContact CD2-CG 3.83Å; L142-L256 HydrophobicContact CG-CD1 4.08Å; M145-L256 HydrophobicContact CE-CD2 3.24Å; M145-L256 HydrophobicContact SD-CD2 3.85Å; S254-L256 PolarHBondContact O-N 3.21Å; S254-L256 VanDerWaalsContact O-N 3.17Å; L256-Y258 WeakPolarHBondContact O-CD2 3.28Å; L256-Y258 PolarHBondContact O-N 3.25Å
257	C	97.9	Very high	96.9	Very high	17 Å²	17	22.2 Å²	22.2	12%	0.115	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	3.5	-171.9	-59.2	0	0	0	0	115.7	A221 K266 C304	A221-C257 WeakPolarHBondContact O-CA 3.47Å; A221-C257 PolarHBondContact O-N 2.81Å; C257-K266 WeakPolarHBondContact O-CE 3.28Å; C257-C304 WeakPolarHBondContact CA-SG 3.29Å; C257-C304 HydrophobicContact CB-CB 3.48Å; C257-C304 VanDerWaalsContact CB-CB 3.48Å; C257-C304 WeakPolarHBondContact CB-SG 3.31Å; C257-C304 WeakPolarHBondContact SG-CA 3.33Å; C257-C304 WeakPolarHBondContact SG-CB 3.23Å; C257-C304 CovalentContact SG-SG 2.03Å; C257-C304 PolarHBondContact SG-SG 3.43Å
258	Y	98.4	Very high	97.3	Very high	18 Å²	18	17.5 Å²	17.5	7%	0.071	9%	0.088	C	C	.	.			trans	-113.3	20.4	174.1	-73.3	-92	0	0	0	111.4	T223 F255 L256 I335 F336 F348 N349 Y420	T223-Y258 WeakPolarHBondContact CG2-O 3.48Å; F255-Y258 HydrophobicContact CB-CD2 4Å; F255-Y258 HydrophobicContact CB-CG 4.07Å; F255-Y258 WeakPolarHBondContact O-CB 3.32Å; F255-Y258 PolarHBondContact O-N 2.87Å; L256-Y258 WeakPolarHBondContact O-CD2 3.28Å; L256-Y258 PolarHBondContact O-N 3.25Å; Y258-I335 HydrophobicContact CE1-CG1 4.37Å; Y258-I335 PolarHBondContact OH-O 3Å; Y258-F336 HydrophobicContact CD1-CD1 4.07Å; Y258-F336 AromaticContact CD1-CE1 3.63Å; Y258-F336 HydrophobicContact CD1-CE1 3.63Å; Y258-F336 HydrophobicContact CD1-CZ 4.27Å; Y258-F336 AromaticContact CE1-CD1 3.61Å; Y258-F336 HydrophobicContact CE1-CD1 3.61Å; Y258-F336 AromaticContact CE1-CE1 3.66Å; Y258-F336 HydrophobicContact CE1-CE1 3.66Å; Y258-F336 HydrophobicContact CE1-CG 4.29Å; Y258-F336 HydrophobicContact CE1-CZ 4.38Å; Y258-F348 AromaticContact CD1-CE2 3.66Å; Y258-F348 HydrophobicContact CD1-CE2 3.66Å; Y258-F348 AromaticContact CD1-CZ 3.94Å; Y258-F348 HydrophobicContact CD1-CZ 3.94Å; Y258-F348 AromaticContact CD2-CE2 3.91Å; Y258-F348 HydrophobicContact CD2-CE2 3.91Å; Y258-F348 HydrophobicContact CD2-CZ 4.44Å; Y258-F348 HydrophobicContact CE1-CD2 4.18Å; Y258-F348 AromaticContact CE1-CE2 3.54Å; Y258-F348 HydrophobicContact CE1-CE2 3.54Å; Y258-F348 HydrophobicContact CE1-CZ 4.25Å; Y258-F348 AromaticContact CE2-CE2 3.81Å; Y258-F348 HydrophobicContact CE2-CE2 3.81Å; Y258-F348 AromaticContact CG-CE2 3.86Å; Y258-F348 HydrophobicContact CG-CE2 3.86Å; Y258-F348 HydrophobicContact CG-CZ 4.05Å; Y258-F348 AromaticContact CZ-CE2 3.63Å; Y258-N349 VanDerWaalsContact CE2-ND2 3.33Å; Y258-N349 WeakPolarHBondContact CE2-ND2 3.33Å; Y258-N349 VanDerWaalsContact CZ-ND2 3.33Å; Y258-N349 PolarHBondContact OH-ND2 2.91Å; Y258-Y420 VanDerWaalsContact C-OH 3.32Å; Y258-Y420 WeakPolarHBondContact CA-OH 3.05Å; Y258-Y420 VanDerWaalsContact CB-OH 3.3Å; Y258-Y420 WeakPolarHBondContact CB-OH 3.36Å; Y258-Y420 HydrophobicContact CD1-CE2 4.4Å; Y258-Y420 PolarHBondContact O-OH 3.35Å
259	G	97.9	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-73.2	157	159.3	0	0	0	0	0	110.3	G219 G220 A221 S222 N261 E262 A263	G219-G259 CarbonylContact O-C 3.34Å; G219-G259 VanDerWaalsContact O-CA 3.24Å; G219-G259 WeakPolarHBondContact O-CA 3.21Å; G220-G259 CarbonylContact O-C 3.55Å; G220-G259 WeakPolarHBondContact O-CA 3.26Å; A221-G259 VanDerWaalsContact C-CA 3.49Å; A221-G259 PolarHBondContact O-N 3.06Å; S222-G259 VanDerWaalsContact C-CA 3.44Å; S222-G259 VanDerWaalsContact CA-N 3.3Å; S222-G259 VanDerWaalsContact N-CA 3.32Å; S222-G259 WeakPolarHBondContact O-CA 3.35Å; G259-N261 VanDerWaalsContact C-N 3.27Å; G259-N261 PolarHBondContact O-N 3.42Å; G259-N261 VanDerWaalsContact O-N 3.15Å; G259-E262 PolarHBondContact O-N 3.39Å; G259-E262 VanDerWaalsContact O-N 3.16Å; G259-A263 WeakPolarHBondContact O-CB 3.28Å; G259-A263 PolarHBondContact O-N 3.32Å
260	K	97.3	Very high	97.7	Very high	18 Å²	18	20 Å²	20	8%	0.078	10%	0.098	C	C	.	.	H	α-helix	trans	-53.7	-40.6	-172.3	-176	-168.3	167.9	-62.5	0	113.3	L218 G219 G220 D264 I369 T413 F416 A417	L218-K260 HydrophobicContact CD1-CB 4.38Å; L218-K260 HydrophobicContact CD2-CB 4.48Å; L218-K260 HydrophobicContact CG-CB 4.35Å; G219-K260 PolarHBondContact O-N 2.99Å; G220-K260 PolarHBondContact O-N 3.27Å; K260-D264 WeakPolarHBondContact O-CB 3.26Å; K260-D264 PolarHBondContact O-N 3.2Å; K260-I369 HydrophobicContact CD-CD1 4.31Å; K260-T413 PolarHBondContact NZ-OG1 2.97Å; K260-F416 HydrophobicContact CG-CE1 4.24Å; K260-F416 HydrophobicContact CG-CZ 4.21Å; K260-F416 VanDerWaalsContact O-CZ 3.31Å; K260-F416 WeakPolarHBondContact O-CZ 3.39Å; K260-A417 HydrophobicContact CD-CB 4.31Å; K260-A417 HydrophobicContact CG-CB 4.35Å
261	N	96.1	Very high	97.7	Very high	59 Å²	59	20.3 Å²	20.3	32%	0.316	10%	0.099	S	C	.	.	H	α-helix	trans	-75.2	-37.8	-176.4	-59.9	-12.8	0	0	0	111.9	G220 G259 K265	G220-N261 WeakPolarHBondContact O-CA 3.44Å; G220-N261 WeakPolarHBondContact O-CB 3.35Å; G220-N261 PolarHBondContact O-N 2.96Å; G259-N261 VanDerWaalsContact C-N 3.27Å; G259-N261 PolarHBondContact O-N 3.42Å; G259-N261 VanDerWaalsContact O-N 3.15Å; N261-K265 WeakPolarHBondContact O-CG 3.41Å; N261-K265 PolarHBondContact O-N 3.47Å
262	E	97.8	Very high	97.6	Very high	16 Å²	16	21.2 Å²	21.2	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-75	-32.9	177.2	-60.7	-56	128.4	0	0	111.7	L142 G220 A221 G259 K265 K266 T302 C304	L142-E262 HydrophobicContact CD1-CG 3.97Å; G220-E262 PolarHBondContact O-N 2.96Å; A221-E262 HydrophobicContact CB-CG 4.14Å; G259-E262 PolarHBondContact O-N 3.39Å; G259-E262 VanDerWaalsContact O-N 3.16Å; E262-K265 PolarHBondContact O-N 3.45Å; E262-K265 IonicContact OE1-NZ 3.36Å; E262-K265 PolarHBondContact OE1-NZ 3.13Å; E262-K265 IonicContact OE2-NZ 3.76Å; E262-K266 WeakPolarHBondContact O-CG 3.34Å; E262-K266 PolarHBondContact O-N 2.86Å; E262-K266 VanDerWaalsContact O-N 3.11Å; E262-T302 VanDerWaalsContact OE2-CB 3.29Å; E262-T302 WeakPolarHBondContact OE2-CB 3.18Å; E262-T302 PolarHBondContact OE2-OG1 3.49Å; E262-C304 HydrophobicContact CB-CB 4.46Å
263	A	98.3	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.4	-41.6	170.6	0	0	0	0	0	111.9	G259 K265 K266 V267 I335 F416 Y420	G259-A263 WeakPolarHBondContact O-CB 3.28Å; G259-A263 PolarHBondContact O-N 3.32Å; A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 2.67Å; A263-K266 WeakPolarHBondContact O-CB 3.43Å; A263-K266 PolarHBondContact O-N 2.03Å; A263-K266 VanDerWaalsContact O-N 3.13Å; A263-V267 PolarHBondContact O-N 3.26Å; A263-I335 HydrophobicContact CB-CD1 4.15Å; A263-F416 HydrophobicContact CB-CE2 4.13Å; A263-F416 HydrophobicContact CB-CZ 4.18Å; A263-Y420 HydrophobicContact CB-CD2 3.91Å; A263-Y420 HydrophobicContact CB-CE1 4.42Å; A263-Y420 HydrophobicContact CB-CE2 3.53Å
264	D	98.1	Very high	97.1	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-47.4	174.3	-168.9	33.9	0	0	0	110.8	K260 K266 V267 L268 F416	K260-D264 WeakPolarHBondContact O-CB 3.26Å; K260-D264 PolarHBondContact O-N 3.2Å; D264-K266 VanDerWaalsContact C-N 3.3Å; D264-K266 PolarHBondContact O-N 3.18Å; D264-V267 WeakPolarHBondContact O-CB 3.33Å; D264-V267 PolarHBondContact O-N 3.23Å; D264-V267 VanDerWaalsContact O-N 3.13Å; D264-L268 WeakPolarHBondContact O-CG 3.21Å; D264-L268 PolarHBondContact O-N 3.1Å; D264-F416 HydrophobicContact CB-CD1 4.09Å; D264-F416 HydrophobicContact CB-CE1 3.41Å; D264-F416 VanDerWaalsContact CB-CE1 3.41Å; D264-F416 HydrophobicContact CB-CZ 3.7Å; D264-F416 VanDerWaalsContact OD1-CD1 3.27Å; D264-F416 WeakPolarHBondContact OD1-CD1 3.44Å; D264-F416 WeakPolarHBondContact OD1-CE1 3.49Å
265	K	98.1	Very high	96.7	Very high	45 Å²	45	33.2 Å²	33.2	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-38.9	176.5	-64.9	170.1	-176.4	171	0	112.2	N261 E262 A263 L268 D269 S298 I299 T302 I305	N261-K265 WeakPolarHBondContact O-CG 3.41Å; N261-K265 PolarHBondContact O-N 3.47Å; E262-K265 PolarHBondContact O-N 3.45Å; E262-K265 IonicContact OE1-NZ 3.36Å; E262-K265 PolarHBondContact OE1-NZ 3.13Å; E262-K265 IonicContact OE2-NZ 3.76Å; A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 2.67Å; K265-L268 PolarHBondContact O-N 3.01Å; K265-D269 PolarHBondContact O-N 3.1Å; K265-S298 WeakPolarHBondContact CE-O 3.33Å; K265-I299 HydrophobicContact CB-CG2 4.34Å; K265-T302 HydrophobicContact CD-CG2 4.16Å; K265-I305 HydrophobicContact CB-CD1 3.42Å; K265-I305 VanDerWaalsContact CB-CD1 3.42Å; K265-I305 WeakPolarHBondContact O-CD1 3.33Å
266	K	98.2	Very high	96.1	Very high	38 Å²	38	39 Å²	39	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-41.9	175.7	-71.2	171.1	-178.2	-71.9	0	111.3	C257 E262 A263 D264 D269 K270 C304 I305 I335	C257-K266 WeakPolarHBondContact O-CE 3.28Å; E262-K266 WeakPolarHBondContact O-CG 3.34Å; E262-K266 PolarHBondContact O-N 2.86Å; E262-K266 VanDerWaalsContact O-N 3.11Å; A263-K266 WeakPolarHBondContact O-CB 3.43Å; A263-K266 PolarHBondContact O-N 2.03Å; A263-K266 VanDerWaalsContact O-N 3.13Å; D264-K266 VanDerWaalsContact C-N 3.3Å; D264-K266 PolarHBondContact O-N 3.18Å; K266-D269 PolarHBondContact O-N 2.91Å; K266-K270 WeakPolarHBondContact O-CG 3.43Å; K266-K270 PolarHBondContact O-N 2.87Å; K266-C304 PolarHBondContact NZ-O 3.46Å; K266-I305 HydrophobicContact CG-CD1 4.21Å; K266-I305 HydrophobicContact CG-CG1 3.92Å; K266-I335 HydrophobicContact CB-CB 4.29Å; K266-I335 HydrophobicContact CB-CD1 4.46Å; K266-I335 HydrophobicContact CB-CG2 4.05Å
267	V	98.3	Very high	95.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-43.6	174.9	169.8	0	0	0	0	110.7	A263 D264 D269 K270 V271 I331 V332 I335 F416	A263-V267 PolarHBondContact O-N 3.26Å; D264-V267 WeakPolarHBondContact O-CB 3.33Å; D264-V267 PolarHBondContact O-N 3.23Å; D264-V267 VanDerWaalsContact O-N 3.13Å; V267-D269 PolarHBondContact O-N 3.05Å; V267-K270 WeakPolarHBondContact O-CB 3.25Å; V267-K270 PolarHBondContact O-N 2.9Å; V267-K270 VanDerWaalsContact O-N 3.16Å; V267-V271 HydrophobicContact CG1-CG2 4.37Å; V267-V271 WeakPolarHBondContact O-CG2 3.47Å; V267-V271 PolarHBondContact O-N 3.25Å; V267-I331 HydrophobicContact CG1-CG2 3.95Å; V267-V332 HydrophobicContact CG2-CG2 4.06Å; V267-I335 HydrophobicContact CG2-CD1 4.18Å; V267-I335 HydrophobicContact CG2-CG2 4.1Å; V267-F416 HydrophobicContact CB-CD2 4.42Å; V267-F416 HydrophobicContact CG2-CD2 3.86Å; V267-F416 HydrophobicContact CG2-CE2 4.23Å
268	L	97.7	Very high	94.9	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-40.4	176.5	-67	172.4	0	0	0	112.5	D264 K265 K270 V271 I272 I294 I299 M319	D264-L268 WeakPolarHBondContact O-CG 3.21Å; D264-L268 PolarHBondContact O-N 3.1Å; K265-L268 PolarHBondContact O-N 3.01Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 2.81Å; L268-V271 PolarHBondContact O-N 2.86Å; L268-I272 WeakPolarHBondContact O-CB 3.32Å; L268-I272 WeakPolarHBondContact O-CD1 3.34Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.37Å; L268-I272 PolarHBondContact O-N 3.27Å; L268-I294 HydrophobicContact CD1-CD1 4.13Å; L268-I299 HydrophobicContact CB-CD1 4.3Å; L268-I299 HydrophobicContact CB-CG2 4.28Å; L268-I299 HydrophobicContact CD1-CG1 4.34Å; L268-M319 HydrophobicContact CD2-CE 4.11Å; L268-M319 HydrophobicContact CD2-SD 3.84Å
269	D	96.6	Very high	94.5	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-43.2	172.9	170.2	76.4	0	0	0	111.5	K265 K266 V267 I272 R273 Y300 I305	K265-D269 PolarHBondContact O-N 3.1Å; K266-D269 PolarHBondContact O-N 2.91Å; V267-D269 PolarHBondContact O-N 3.05Å; D269-I272 PolarHBondContact O-N 2.87Å; D269-R273 WeakPolarHBondContact O-CB 3.45Å; D269-R273 VanDerWaalsContact O-CG 3.25Å; D269-R273 WeakPolarHBondContact O-CG 3.35Å; D269-R273 PolarHBondContact O-N 2.97Å; D269-R273 IonicContact OD1-CZ 3.11Å; D269-R273 VanDerWaalsContact OD1-CZ 3.31Å; D269-R273 IonicContact OD1-NE 3.99Å; D269-R273 PolarHBondContact OD1-NE 2.94Å; D269-R273 IonicContact OD1-NH2 2.87Å; D269-R273 PolarHBondContact OD1-NH2 2.93Å; D269-R273 IonicContact OD2-CZ 3.29Å; D269-R273 IonicContact OD2-NE 2.83Å; D269-R273 PolarHBondContact OD2-NE 3.16Å; D269-R273 IonicContact OD2-NH2 2.79Å; D269-Y300 HydrophobicContact CB-CE1 4.24Å; D269-Y300 VanDerWaalsContact OD1-CE1 3.32Å; D269-Y300 WeakPolarHBondContact OD1-CE1 3.4Å; D269-Y300 PolarHBondContact OD1-OH 3.33Å; D269-I305 HydrophobicContact CB-CG2 4.09Å
270	K	96.7	Very high	94.3	Very high	76 Å²	76	50.6 Å²	50.6	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-49.3	175.8	-65.9	-66.2	-171.8	171.7	0	112.1	K266 V267 L268 I272 R273 E274 I331 I335	K266-K270 WeakPolarHBondContact O-CG 3.43Å; K266-K270 PolarHBondContact O-N 2.87Å; V267-K270 WeakPolarHBondContact O-CB 3.25Å; V267-K270 PolarHBondContact O-N 2.9Å; V267-K270 VanDerWaalsContact O-N 3.16Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-K270 PolarHBondContact O-N 2.81Å; K270-I272 VanDerWaalsContact C-N 3.32Å; K270-I272 PolarHBondContact O-N 3.29Å; K270-R273 PolarHBondContact O-N 3.28Å; K270-E274 PolarHBondContact O-N 2.92Å; K270-I331 HydrophobicContact CB-CG2 3.64Å; K270-I331 HydrophobicContact CG-CG2 4.33Å; K270-I335 HydrophobicContact CG-CG2 4.4Å
271	V	96.9	Very high	94.4	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-44.2	178.2	171.3	0	0	0	0	111.2	V267 L268 E274 S275 V281 N283 I331	V267-V271 HydrophobicContact CG1-CG2 4.37Å; V267-V271 WeakPolarHBondContact O-CG2 3.47Å; V267-V271 PolarHBondContact O-N 3.25Å; L268-V271 PolarHBondContact O-N 2.86Å; V271-E274 PolarHBondContact O-N 2.81Å; V271-S275 PolarHBondContact O-N 3.22Å; V271-V281 HydrophobicContact CG1-CG1 3.61Å; V271-N283 HydrophobicContact CG1-CB 4.1Å; V271-I331 HydrophobicContact CG2-CD1 3.9Å; V271-I331 HydrophobicContact CG2-CG2 4.33Å
272	I	95.2	Very high	94.4	Very high	20 Å²	20	51.9 Å²	51.9	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-40.9	179.1	-70.8	164.8	0	0	0	111.3	L268 D269 K270 E274 S275 I299 F317 M319	L268-I272 WeakPolarHBondContact O-CB 3.32Å; L268-I272 WeakPolarHBondContact O-CD1 3.34Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.37Å; L268-I272 PolarHBondContact O-N 3.27Å; D269-I272 PolarHBondContact O-N 2.87Å; K270-I272 VanDerWaalsContact C-N 3.32Å; K270-I272 PolarHBondContact O-N 3.29Å; I272-E274 VanDerWaalsContact C-N 3.3Å; I272-E274 PolarHBondContact O-N 2.92Å; I272-S275 WeakPolarHBondContact O-CB 2.99Å; I272-S275 PolarHBondContact O-N 3.34Å; I272-I299 HydrophobicContact CD1-CD1 3.37Å; I272-F317 HydrophobicContact CD1-CD1 4.14Å; I272-F317 HydrophobicContact CD1-CD2 3.8Å; I272-F317 HydrophobicContact CD1-CE1 4.22Å; I272-F317 HydrophobicContact CD1-CE2 3.9Å; I272-F317 HydrophobicContact CD1-CG 3.92Å; I272-F317 HydrophobicContact CD1-CZ 4.12Å; I272-F317 HydrophobicContact CG1-CD1 4.2Å; I272-F317 HydrophobicContact CG1-CE1 4.4Å; I272-F317 HydrophobicContact CG1-CG 4.34Å; I272-F317 HydrophobicContact CG2-CD1 4.09Å; I272-F317 HydrophobicContact CG2-CE1 3.57Å; I272-F317 HydrophobicContact CG2-CZ 3.99Å; I272-M319 HydrophobicContact CD1-CE 3.66Å; I272-M319 HydrophobicContact CG1-CE 3.6Å
273	R	92.1	Very high	94.4	Very high	141 Å²	141	51.1 Å²	51.1	53%	0.532	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-27.7	179.5	-73.8	175.2	-169	-96.8	-4.3	113.5	D269 K270 S275	D269-R273 WeakPolarHBondContact O-CB 3.45Å; D269-R273 VanDerWaalsContact O-CG 3.25Å; D269-R273 WeakPolarHBondContact O-CG 3.35Å; D269-R273 PolarHBondContact O-N 2.97Å; D269-R273 IonicContact OD1-CZ 3.11Å; D269-R273 VanDerWaalsContact OD1-CZ 3.31Å; D269-R273 IonicContact OD1-NE 3.99Å; D269-R273 PolarHBondContact OD1-NE 2.94Å; D269-R273 IonicContact OD1-NH2 2.87Å; D269-R273 PolarHBondContact OD1-NH2 2.93Å; D269-R273 IonicContact OD2-CZ 3.29Å; D269-R273 IonicContact OD2-NE 2.83Å; D269-R273 PolarHBondContact OD2-NE 3.16Å; D269-R273 IonicContact OD2-NH2 2.79Å; K270-R273 PolarHBondContact O-N 3.28Å; R273-S275 VanDerWaalsContact C-N 3.34Å
274	E	91.9	Very high	94.4	Very high	116 Å²	116	51.7 Å²	51.7	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-80.4	-16.7	173.7	-69.4	-174.3	177.5	0	0	112.3	K270 V271 I272 K327	K270-E274 PolarHBondContact O-N 2.92Å; V271-E274 PolarHBondContact O-N 2.81Å; I272-E274 VanDerWaalsContact C-N 3.3Å; I272-E274 PolarHBondContact O-N 2.92Å; E274-K327 WeakPolarHBondContact OE2-CE 3.35Å; E274-K327 IonicContact OE2-NZ 2.93Å
275	S	90.3	Very high	94.4	Very high	33 Å²	33	50.8 Å²	50.8	23%	0.231	27%	0.266	C	S	.	.			trans	-76.5	137.7	176.4	-166.8	0	0	0	0	112.1	V271 I272 R273 D277	V271-S275 PolarHBondContact O-N 3.22Å; I272-S275 WeakPolarHBondContact O-CB 2.99Å; I272-S275 PolarHBondContact O-N 3.34Å; R273-S275 VanDerWaalsContact C-N 3.34Å; S275-D277 PolarHBondContact OG-N 3.17Å; S275-D277 PolarHBondContact OG-O 3.4Å
276	S	86.4	Confident	94.4	Very high	128 Å²	128	48.9 Å²	48.9	90%	0.895	26%	0.258	S	S	*	.	S	Bend	trans	-82.8	-21.7	172.1	52.8	0	0	0	0	113
277	D	88.8	Confident	94.4	Very high	75 Å²	75	47.3 Å²	47.3	40%	0.401	25%	0.251	S	S	.	.			trans	-127.8	114	-179.6	-174.5	2.6	0	0	0	110.9	S275 A279 Y280 V281	S275-D277 PolarHBondContact OG-N 3.17Å; S275-D277 PolarHBondContact OG-O 3.4Å; D277-A279 PolarHBondContact O-N 3.23Å; D277-A279 VanDerWaalsContact OD1-CB 3.32Å; D277-A279 WeakPolarHBondContact OD1-CB 3.41Å; D277-A279 PolarHBondContact OD1-N 2.99Å; D277-Y280 CarbonylContact O-C 3.55Å; D277-Y280 PolarHBondContact O-N 3.18Å; D277-V281 WeakPolarHBondContact O-CG2 3.45Å
278	P	80.7	Confident	94.3	Very high	59 Å²	59	53.2 Å²	53.2	38%	0.383	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	172.8	-23.5	34.8	0	0	0	114.4	Y280 F317	P278-Y280 VanDerWaalsContact C-N 3.3Å; P278-F317 HydrophobicContact CB-CD1 4.08Å; P278-F317 HydrophobicContact CB-CE1 4.04Å
279	A	90.2	Very high	94.3	Very high	64 Å²	64	55.8 Å²	55.8	53%	0.529	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.6	178.6	0	0	0	0	0	113	D277 Y318	D277-A279 PolarHBondContact O-N 3.23Å; D277-A279 VanDerWaalsContact OD1-CB 3.32Å; D277-A279 WeakPolarHBondContact OD1-CB 3.41Å; D277-A279 PolarHBondContact OD1-N 2.99Å; A279-Y318 WeakPolarHBondContact O-CB 3.13Å
280	Y	95.4	Very high	94.4	Very high	120 Å²	120	56 Å²	56	47%	0.471	31%	0.306	S	S	.	.	S	Bend	trans	-150.4	91.5	176.4	-165.8	-90.7	0	0	0	111	D277 P278 I282 Y318 V320	D277-Y280 CarbonylContact O-C 3.55Å; D277-Y280 PolarHBondContact O-N 3.18Å; P278-Y280 VanDerWaalsContact C-N 3.3Å; Y280-I282 HydrophobicContact CD1-CG1 4.33Å; Y280-I282 HydrophobicContact CE1-CD1 4.33Å; Y280-I282 HydrophobicContact CE1-CG1 3.9Å; Y280-Y318 HydrophobicContact CD2-CD1 4.03Å; Y280-Y318 HydrophobicContact CD2-CE1 4.04Å; Y280-Y318 HydrophobicContact CE2-CE1 4.11Å; Y280-V320 HydrophobicContact CE1-CG2 3.92Å; Y280-V320 HydrophobicContact CE2-CG1 3.95Å; Y280-V320 HydrophobicContact CE2-CG2 4.28Å
281	V	97.4	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.8	-177.5	178.5	0	0	0	0	109.7	V271 D277 N283 Y318 M319 V320	V271-V281 HydrophobicContact CG1-CG1 3.61Å; D277-V281 WeakPolarHBondContact O-CG2 3.45Å; V281-N283 PolarHBondContact O-N 3.18Å; V281-Y318 PolarHBondContact N-O 3.22Å; V281-M319 HydrophobicContact CB-CG 4.01Å; V281-M319 HydrophobicContact CG1-CE 4.38Å; V281-M319 HydrophobicContact CG1-CG 4.22Å; V281-M319 CarbonylContact O-C 3.55Å; V281-M319 VanDerWaalsContact O-CA 3.25Å; V281-M319 WeakPolarHBondContact O-CA 3.42Å; V281-V320 PolarHBondContact O-N 3.21Å
282	I	97.2	Very high	94.4	Very high	103 Å²	103	58.4 Å²	58.4	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.3	171.1	-58.1	175.1	0	0	0	108	Y280 V320	Y280-I282 HydrophobicContact CD1-CG1 4.33Å; Y280-I282 HydrophobicContact CE1-CD1 4.33Å; Y280-I282 HydrophobicContact CE1-CG1 3.9Å; I282-V320 HydrophobicContact CG1-CG2 4.04Å
283	N	97.9	Very high	94.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.9	177.5	-174	-25	0	0	0	110	V271 V281 C285 Y286 V320 G322	V271-N283 HydrophobicContact CG1-CB 4.1Å; V281-N283 PolarHBondContact O-N 3.18Å; N283-C285 PolarHBondContact O-N 2.99Å; N283-C285 WeakPolarHBondContact OD1-CB 3.41Å; N283-C285 PolarHBondContact OD1-N 2.98Å; N283-Y286 HydrophobicContact CB-CD2 3.62Å; N283-Y286 HydrophobicContact CB-CE2 4.26Å; N283-Y286 HydrophobicContact CB-CG 4Å; N283-Y286 WeakPolarHBondContact ND2-CD2 3.44Å; N283-Y286 WeakPolarHBondContact ND2-CE2 3.26Å; N283-Y286 PolarHBondContact O-N 2.84Å; N283-Y286 VanDerWaalsContact O-N 3.14Å; N283-V320 PolarHBondContact N-O 2.6Å; N283-G322 PolarHBondContact O-N 2.87Å
284	P	97.7	Very high	94.6	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.078	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.3	-177.7	26.5	-34.2	0	0	0	112.6	Y286 D324 K327 I331	P284-Y286 VanDerWaalsContact C-N 3.32Å; P284-Y286 PolarHBondContact O-N 3.11Å; P284-D324 HydrophobicContact CB-CB 3.83Å; P284-D324 PolarHBondContact O-N 3.01Å; P284-K327 HydrophobicContact CB-CB 4Å; P284-K327 HydrophobicContact CB-CG 4.04Å; P284-K327 HydrophobicContact CG-CB 4.44Å; P284-K327 HydrophobicContact CG-CG 4.01Å; P284-I331 HydrophobicContact CG-CD1 3.58Å
285	C	98.3	Very high	94.8	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.02	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.6	178.8	-63	0	0	0	0	114.1	N283 C328 C415 F416	N283-C285 PolarHBondContact O-N 2.99Å; N283-C285 WeakPolarHBondContact OD1-CB 3.41Å; N283-C285 PolarHBondContact OD1-N 2.98Å; C285-C328 WeakPolarHBondContact CA-SG 3.37Å; C285-C328 HydrophobicContact CB-CB 3.97Å; C285-C328 WeakPolarHBondContact CB-SG 3.34Å; C285-C328 WeakPolarHBondContact SG-CA 3.47Å; C285-C328 WeakPolarHBondContact SG-CB 3.41Å; C285-C328 CovalentContact SG-SG 2.04Å; C285-C328 PolarHBondContact SG-SG 2.84Å; C285-C415 WeakPolarHBondContact O-CB 3.29Å; C285-F416 HydrophobicContact CB-CB 3.86Å
286	Y	98.2	Very high	95	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	30%	0.3	C	S	.	.	S	Bend	trans	-94.3	139.2	174.7	-77	-16.1	0	0	0	110.7	N283 P284 F290 I292 M319 G321 G322 A323 K412	N283-Y286 HydrophobicContact CB-CD2 3.62Å; N283-Y286 HydrophobicContact CB-CE2 4.26Å; N283-Y286 HydrophobicContact CB-CG 4Å; N283-Y286 WeakPolarHBondContact ND2-CD2 3.44Å; N283-Y286 WeakPolarHBondContact ND2-CE2 3.26Å; N283-Y286 PolarHBondContact O-N 2.84Å; N283-Y286 VanDerWaalsContact O-N 3.14Å; P284-Y286 VanDerWaalsContact C-N 3.32Å; P284-Y286 PolarHBondContact O-N 3.11Å; Y286-F290 HydrophobicContact CD1-CD1 4.38Å; Y286-F290 HydrophobicContact CD1-CE1 4.43Å; Y286-F290 AromaticContact CD2-CD1 3.83Å; Y286-F290 HydrophobicContact CD2-CD1 3.83Å; Y286-F290 AromaticContact CD2-CE1 3.94Å; Y286-F290 HydrophobicContact CD2-CE1 3.94Å; Y286-F290 HydrophobicContact CE1-CE1 4.43Å; Y286-F290 HydrophobicContact CE2-CD1 4.35Å; Y286-F290 AromaticContact CE2-CE1 3.97Å; Y286-F290 HydrophobicContact CE2-CE1 3.97Å; Y286-F290 AromaticContact CG-CD1 3.86Å; Y286-F290 HydrophobicContact CG-CD1 3.86Å; Y286-F290 HydrophobicContact CG-CE1 4.19Å; Y286-I292 HydrophobicContact CE2-CG2 3.8Å; Y286-M319 HydrophobicContact CD2-CB 4.3Å; Y286-M319 HydrophobicContact CE2-CB 4.06Å; Y286-M319 HydrophobicContact CE2-SD 3.98Å; Y286-G321 CarbonylContact O-C 3.6Å; Y286-G321 VanDerWaalsContact O-CA 3.24Å; Y286-G321 WeakPolarHBondContact O-CA 3.29Å; Y286-G322 PolarHBondContact O-N 3.25Å; Y286-A323 PolarHBondContact O-N 3.18Å; Y286-K412 VanDerWaalsContact CD1-O 3.25Å; Y286-K412 WeakPolarHBondContact CD1-O 3.45Å; Y286-K412 HydrophobicContact CE1-CG 4.49Å; Y286-K412 WeakPolarHBondContact CE1-O 3.42Å; Y286-K412 PolarHBondContact OH-NZ 3.44Å
287	P	97.7	Very high	95.4	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.032	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.8	149.6	-177.8	27.9	-32.5	0	0	0	111	G289 F290 G321 T394 W396 L399	P287-G289 PolarHBondContact O-N 2.8Å; P287-F290 HydrophobicContact CG-CB 4.02Å; P287-F290 VanDerWaalsContact O-CB 3.24Å; P287-F290 WeakPolarHBondContact O-CB 3.39Å; P287-F290 PolarHBondContact O-N 3.29Å; P287-G321 WeakPolarHBondContact O-CA 3.42Å; P287-T394 WeakPolarHBondContact CB-O 3.09Å; P287-W396 HydrophobicContact CB-CB 4.4Å; P287-W396 HydrophobicContact CG-CB 4.21Å; P287-W396 HydrophobicContact CG-CD2 4.31Å; P287-W396 HydrophobicContact CG-CE3 3.5Å; P287-W396 HydrophobicContact CG-CZ3 4.19Å; P287-L399 HydrophobicContact CB-CD1 3.73Å; P287-L399 HydrophobicContact CG-CD1 3.97Å
288	K	97.4	Very high	95.7	Very high	126 Å²	126	46.9 Å²	46.9	55%	0.548	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	138.1	-179	-175.6	179.3	179.4	-176.3	0	110.4	F290 A323 D395 W396	K288-F290 VanDerWaalsContact C-N 3.28Å; K288-F290 PolarHBondContact O-N 2.87Å; K288-A323 HydrophobicContact CB-CB 3.9Å; K288-D395 WeakPolarHBondContact CB-OD1 3.43Å; K288-W396 WeakPolarHBondContact O-CB 3.41Å; K288-W396 PolarHBondContact O-N 2.8Å
289	G	97	Very high	96.4	Very high	63 Å²	63	44.1 Å²	44.1	65%	0.649	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-4.9	-175.7	0	0	0	0	0	114.8	P287	P287-G289 PolarHBondContact O-N 2.8Å
290	F	98	Very high	96.6	Very high	21 Å²	21	41.3 Å²	41.3	9%	0.092	23%	0.227	C	C	.	.			trans	-84.4	143.5	167.4	-176.5	-102.7	0	0	0	111.1	Y286 P287 K288 I292 G321 W396 K412	Y286-F290 HydrophobicContact CD1-CD1 4.38Å; Y286-F290 HydrophobicContact CD1-CE1 4.43Å; Y286-F290 AromaticContact CD2-CD1 3.83Å; Y286-F290 HydrophobicContact CD2-CD1 3.83Å; Y286-F290 AromaticContact CD2-CE1 3.94Å; Y286-F290 HydrophobicContact CD2-CE1 3.94Å; Y286-F290 HydrophobicContact CE1-CE1 4.43Å; Y286-F290 HydrophobicContact CE2-CD1 4.35Å; Y286-F290 AromaticContact CE2-CE1 3.97Å; Y286-F290 HydrophobicContact CE2-CE1 3.97Å; Y286-F290 AromaticContact CG-CD1 3.86Å; Y286-F290 HydrophobicContact CG-CD1 3.86Å; Y286-F290 HydrophobicContact CG-CE1 4.19Å; P287-F290 HydrophobicContact CG-CB 4.02Å; P287-F290 VanDerWaalsContact O-CB 3.24Å; P287-F290 WeakPolarHBondContact O-CB 3.39Å; P287-F290 PolarHBondContact O-N 3.29Å; K288-F290 VanDerWaalsContact C-N 3.28Å; K288-F290 PolarHBondContact O-N 2.87Å; F290-I292 HydrophobicContact CE1-CB 3.93Å; F290-I292 HydrophobicContact CE1-CG2 3.73Å; F290-I292 HydrophobicContact CZ-CB 3.94Å; F290-I292 HydrophobicContact CZ-CD1 4.37Å; F290-I292 HydrophobicContact CZ-CG2 4.2Å; F290-G321 PolarHBondContact O-N 2.9Å; F290-W396 HydrophobicContact CB-CB 4.13Å; F290-W396 HydrophobicContact CB-CD2 4.15Å; F290-W396 HydrophobicContact CB-CE3 4.48Å; F290-W396 HydrophobicContact CB-CG 3.98Å; F290-W396 AromaticContact CD2-CD2 3.82Å; F290-W396 HydrophobicContact CD2-CD2 3.82Å; F290-W396 AromaticContact CD2-CE2 3.56Å; F290-W396 HydrophobicContact CD2-CE3 4.22Å; F290-W396 HydrophobicContact CD2-CG 4.26Å; F290-W396 HydrophobicContact CD2-CH2 4.1Å; F290-W396 AromaticContact CD2-CZ2 3.73Å; F290-W396 HydrophobicContact CD2-CZ2 3.73Å; F290-W396 HydrophobicContact CD2-CZ3 4.33Å; F290-W396 AromaticContact CD2-NE1 3.86Å; F290-W396 HydrophobicContact CE2-CH2 4.22Å; F290-W396 AromaticContact CE2-CZ2 3.93Å; F290-W396 HydrophobicContact CE2-CZ2 3.93Å; F290-W396 HydrophobicContact CG-CD2 4.38Å; F290-K412 HydrophobicContact CD1-CB 4.44Å; F290-K412 HydrophobicContact CD2-CB 4.47Å; F290-K412 HydrophobicContact CE1-CB 3.94Å; F290-K412 HydrophobicContact CE1-CD 3.92Å; F290-K412 HydrophobicContact CE2-CB 3.98Å; F290-K412 HydrophobicContact CE2-CD 4.27Å; F290-K412 HydrophobicContact CZ-CB 3.71Å; F290-K412 HydrophobicContact CZ-CD 3.43Å; F290-K412 VanDerWaalsContact CZ-CD 3.43Å; F290-K412 HydrophobicContact CZ-CG 4.18Å
291	N	97.3	Very high	96.4	Very high	87 Å²	87	38.6 Å²	38.6	47%	0.465	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.3	169.6	62.7	81.1	0	0	0	110.9	Y318 M319 V320	N291-Y318 HydrophobicContact CB-CE2 3.99Å; N291-M319 CarbonylContact C-O 3.57Å; N291-M319 WeakPolarHBondContact CA-O 3.16Å; N291-M319 WeakPolarHBondContact CB-O 3.31Å; N291-V320 HydrophobicContact CB-CG1 4.19Å
292	I	97.3	Very high	96.2	Very high	46 Å²	46	39.3 Å²	39.3	24%	0.236	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	146.2	179.2	-169	168.9	0	0	0	110.8	Y286 F290 I294 M319 K412	Y286-I292 HydrophobicContact CE2-CG2 3.8Å; F290-I292 HydrophobicContact CE1-CB 3.93Å; F290-I292 HydrophobicContact CE1-CG2 3.73Å; F290-I292 HydrophobicContact CZ-CB 3.94Å; F290-I292 HydrophobicContact CZ-CD1 4.37Å; F290-I292 HydrophobicContact CZ-CG2 4.2Å; I292-I294 HydrophobicContact CD1-CG2 3.9Å; I292-I294 HydrophobicContact CG1-CG2 3.92Å; I292-I294 HydrophobicContact CG2-CG2 4.19Å; I292-M319 HydrophobicContact CG2-CB 4.2Å; I292-M319 PolarHBondContact N-O 3.38Å; I292-M319 PolarHBondContact O-N 3.43Å; I292-K412 HydrophobicContact CD1-CD 4.45Å
293	T	96.8	Very high	96.1	Very high	72 Å²	72	37.5 Å²	37.5	44%	0.442	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.1	164.7	-55.5	0	0	0	0	109.4	E316 F317	T293-E316 HydrophobicContact CG2-CB 3.74Å; T293-E316 HydrophobicContact CG2-CG 4.13Å; T293-F317 WeakPolarHBondContact CA-O 3.35Å
294	I	95.1	Very high	96	Very high	19 Å²	19	38 Å²	38	10%	0.097	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.9	177.2	63.2	177.9	0	0	0	111.3	L268 I292 I299 E316 F317 M319	L268-I294 HydrophobicContact CD1-CD1 4.13Å; I292-I294 HydrophobicContact CD1-CG2 3.9Å; I292-I294 HydrophobicContact CG1-CG2 3.92Å; I292-I294 HydrophobicContact CG2-CG2 4.19Å; I294-I299 HydrophobicContact CD1-CD1 3.52Å; I294-I299 HydrophobicContact CD1-CG1 3.99Å; I294-I299 HydrophobicContact CG1-CD1 4.16Å; I294-E316 WeakPolarHBondContact O-CA 3.46Å; I294-F317 HydrophobicContact CG1-CB 4.17Å; I294-F317 PolarHBondContact N-O 3.26Å; I294-F317 PolarHBondContact O-N 3.47Å; I294-M319 HydrophobicContact CD1-CE 3.55Å; I294-M319 HydrophobicContact CD1-SD 3.68Å; I294-M319 HydrophobicContact CG1-CE 4.1Å; I294-M319 HydrophobicContact CG1-SD 4.27Å
295	Q	96	Very high	95.9	Very high	85 Å²	85	38.2 Å²	38.2	40%	0.397	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146.3	174.2	-70.6	-177	20.8	0	0	111.2	S297 S298 Q315 E316	Q295-S297 PolarHBondContact O-N 2.77Å; Q295-S298 WeakPolarHBondContact O-CB 3.28Å; Q295-S298 PolarHBondContact O-N 3.21Å; Q295-S298 PolarHBondContact O-OG 3.49Å; Q295-Q315 CarbonylContact C-O 3.53Å; Q295-Q315 WeakPolarHBondContact CA-O 3.23Å; Q295-E316 HydrophobicContact CG-CG 4.18Å
296	A	95.3	Very high	95.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-56.2	-35.9	177.6	0	0	0	0	0	112.9	S298 I299 Y300 Y311 N312 Q315 F317	A296-S298 VanDerWaalsContact C-N 3.27Å; A296-S298 PolarHBondContact O-N 2.94Å; A296-I299 PolarHBondContact O-N 3.24Å; A296-I299 VanDerWaalsContact O-N 3.12Å; A296-Y300 HydrophobicContact CB-CD2 4Å; A296-Y300 HydrophobicContact CB-CE2 4.39Å; A296-Y300 WeakPolarHBondContact O-CB 3.3Å; A296-Y300 VanDerWaalsContact O-CD2 3.22Å; A296-Y300 WeakPolarHBondContact O-CD2 3.47Å; A296-Y300 PolarHBondContact O-N 2.86Å; A296-Y311 HydrophobicContact CB-CE2 3.98Å; A296-N312 VanDerWaalsContact CB-O 3.25Å; A296-N312 WeakPolarHBondContact CB-O 3.38Å; A296-Q315 HydrophobicContact CB-CB 4.14Å; A296-Q315 WeakPolarHBondContact CB-O 3.41Å; A296-Q315 PolarHBondContact N-O 3.19Å; A296-F317 HydrophobicContact CB-CE2 3.73Å; A296-F317 HydrophobicContact CB-CZ 4.48Å
297	S	94.6	Very high	95.2	Very high	30 Å²	30	49.7 Å²	49.7	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-51.6	-42.5	173	55	0	0	0	0	113.1	Q295 I299 Y300 D301 S313	Q295-S297 PolarHBondContact O-N 2.77Å; S297-I299 PolarHBondContact O-N 2.85Å; S297-I299 VanDerWaalsContact O-N 3.14Å; S297-Y300 PolarHBondContact O-N 3.47Å; S297-D301 WeakPolarHBondContact CA-OD2 3.35Å; S297-D301 VanDerWaalsContact CB-OD2 3.26Å; S297-D301 WeakPolarHBondContact CB-OD2 3.36Å; S297-D301 VanDerWaalsContact O-CB 3.26Å; S297-D301 WeakPolarHBondContact O-CB 3.24Å; S297-D301 PolarHBondContact O-N 2.93Å; S297-S313 PolarHBondContact N-O 3.34Å; S297-S313 VanDerWaalsContact N-O 3.08Å; S297-S313 PolarHBondContact OG-O 3.18Å
298	S	93.5	Very high	94.8	Very high	64 Å²	64	51.4 Å²	51.4	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-21.3	-179	72.1	0	0	0	0	114.3	K265 Q295 A296	K265-S298 WeakPolarHBondContact CE-O 3.33Å; Q295-S298 WeakPolarHBondContact O-CB 3.28Å; Q295-S298 PolarHBondContact O-N 3.21Å; Q295-S298 PolarHBondContact O-OG 3.49Å; A296-S298 VanDerWaalsContact C-N 3.27Å; A296-S298 PolarHBondContact O-N 2.94Å
299	I	95.3	Very high	94.3	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-99	-47.7	-180	-52.8	172.6	0	0	0	110.3	K265 L268 I272 I294 A296 S297 I305 F317	K265-I299 HydrophobicContact CB-CG2 4.34Å; L268-I299 HydrophobicContact CB-CD1 4.3Å; L268-I299 HydrophobicContact CB-CG2 4.28Å; L268-I299 HydrophobicContact CD1-CG1 4.34Å; I272-I299 HydrophobicContact CD1-CD1 3.37Å; I294-I299 HydrophobicContact CD1-CD1 3.52Å; I294-I299 HydrophobicContact CD1-CG1 3.99Å; I294-I299 HydrophobicContact CG1-CD1 4.16Å; A296-I299 PolarHBondContact O-N 3.24Å; A296-I299 VanDerWaalsContact O-N 3.12Å; S297-I299 PolarHBondContact O-N 2.85Å; S297-I299 VanDerWaalsContact O-N 3.14Å; I299-I305 HydrophobicContact CG2-CD1 4.47Å; I299-F317 HydrophobicContact CD1-CD2 4.15Å; I299-F317 HydrophobicContact CD1-CE2 4.4Å
300	Y	95.6	Very high	93.8	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-99.6	-9.1	-165	-63.9	-67.9	0	0	0	114.8	D269 A296 S297 T302 I305 K307 P308 Y311 F317	D269-Y300 HydrophobicContact CB-CE1 4.24Å; D269-Y300 VanDerWaalsContact OD1-CE1 3.32Å; D269-Y300 WeakPolarHBondContact OD1-CE1 3.4Å; D269-Y300 PolarHBondContact OD1-OH 3.33Å; A296-Y300 HydrophobicContact CB-CD2 4Å; A296-Y300 HydrophobicContact CB-CE2 4.39Å; A296-Y300 WeakPolarHBondContact O-CB 3.3Å; A296-Y300 VanDerWaalsContact O-CD2 3.22Å; A296-Y300 WeakPolarHBondContact O-CD2 3.47Å; A296-Y300 PolarHBondContact O-N 2.86Å; S297-Y300 PolarHBondContact O-N 3.47Å; Y300-T302 PolarHBondContact O-N 2.97Å; Y300-I305 HydrophobicContact CD1-CG2 3.91Å; Y300-I305 HydrophobicContact CE1-CG2 4.06Å; Y300-K307 WeakPolarHBondContact O-CE 3.29Å; Y300-P308 HydrophobicContact CE1-CG 4.32Å; Y300-P308 HydrophobicContact CE2-CG 4.31Å; Y300-Y311 HydrophobicContact CD2-CD2 4.07Å; Y300-Y311 AromaticContact CD2-CE2 3.89Å; Y300-Y311 HydrophobicContact CD2-CE2 3.89Å; Y300-Y311 HydrophobicContact CG-CD2 4.25Å; Y300-Y311 HydrophobicContact CG-CE2 4.06Å; Y300-F317 HydrophobicContact CE2-CE2 4.19Å; Y300-F317 HydrophobicContact CE2-CZ 4.39Å
301	D	91.1	Very high	93.5	Very high	63 Å²	63	61.5 Å²	61.5	34%	0.337	32%	0.321	S	S	.	.	S	Bend	trans	-80.4	46	176.7	-75.1	-32.1	0	0	0	113.8	K146 S297 K307 Y311	K146-D301 PolarHBondContact NZ-O 3.37Å; S297-D301 WeakPolarHBondContact CA-OD2 3.35Å; S297-D301 VanDerWaalsContact CB-OD2 3.26Å; S297-D301 WeakPolarHBondContact CB-OD2 3.36Å; S297-D301 VanDerWaalsContact O-CB 3.26Å; S297-D301 WeakPolarHBondContact O-CB 3.24Å; S297-D301 PolarHBondContact O-N 2.93Å; D301-K307 IonicContact OD1-NZ 2.73Å; D301-K307 PolarHBondContact OD1-NZ 3.31Å; D301-Y311 PolarHBondContact OD1-OH 3.47Å
302	T	92.5	Very high	93.2	Very high	15 Å²	15	61.3 Å²	61.3	9%	0.092	32%	0.32	C	S	.	.	S	Bend	trans	-133	155.1	176.6	-179.4	0	0	0	0	109.9	E262 K265 Y300 C304 I305	E262-T302 VanDerWaalsContact OE2-CB 3.29Å; E262-T302 WeakPolarHBondContact OE2-CB 3.18Å; E262-T302 PolarHBondContact OE2-OG1 3.49Å; K265-T302 HydrophobicContact CD-CG2 4.16Å; Y300-T302 PolarHBondContact O-N 2.97Å; T302-C304 HydrophobicContact CG2-CB 4.04Å; T302-C304 PolarHBondContact O-N 3.23Å; T302-C304 WeakPolarHBondContact OG1-CB 3.38Å; T302-C304 PolarHBondContact OG1-N 3.4Å; T302-C304 PolarHBondContact OG1-SG 2.93Å; T302-I305 HydrophobicContact CG2-CB 4.2Å; T302-I305 HydrophobicContact CG2-CD1 4.1Å; T302-I305 HydrophobicContact CG2-CG1 4.1Å
303	V	94.9	Very high	93.1	Very high	65 Å²	65	61.2 Å²	61.2	39%	0.394	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.6	171.4	-62.2	0	0	0	0	112.3	L142 M145 K146 I305	L142-V303 HydrophobicContact CB-CG2 4.44Å; L142-V303 HydrophobicContact CD2-CG2 3.53Å; M145-V303 HydrophobicContact CB-CG1 4.39Å; M145-V303 HydrophobicContact CB-CG2 4.36Å; M145-V303 HydrophobicContact SD-CG2 4.5Å; K146-V303 HydrophobicContact CB-CG1 3.72Å; K146-V303 HydrophobicContact CG-CG1 4.21Å; V303-I305 VanDerWaalsContact C-N 3.3Å; V303-I305 PolarHBondContact O-N 3.23Å
304	C	96.4	Very high	93	Very high	12 Å²	12	63.1 Å²	63.1	8%	0.081	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.4	-174.9	-64	0	0	0	0	114.8	L142 C257 E262 K266 T302	L142-C304 VanDerWaalsContact CD2-SG 3.52Å; C257-C304 WeakPolarHBondContact CA-SG 3.29Å; C257-C304 HydrophobicContact CB-CB 3.48Å; C257-C304 VanDerWaalsContact CB-CB 3.48Å; C257-C304 WeakPolarHBondContact CB-SG 3.31Å; C257-C304 WeakPolarHBondContact SG-CA 3.33Å; C257-C304 WeakPolarHBondContact SG-CB 3.23Å; C257-C304 CovalentContact SG-SG 2.03Å; C257-C304 PolarHBondContact SG-SG 3.43Å; E262-C304 HydrophobicContact CB-CB 4.46Å; K266-C304 PolarHBondContact NZ-O 3.46Å; T302-C304 HydrophobicContact CG2-CB 4.04Å; T302-C304 PolarHBondContact O-N 3.23Å; T302-C304 WeakPolarHBondContact OG1-CB 3.38Å; T302-C304 PolarHBondContact OG1-N 3.4Å; T302-C304 PolarHBondContact OG1-SG 2.93Å
305	I	94.7	Very high	92.9	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.077	34%	0.34	C	S	.	.	S	Bend	trans	-139.1	136.6	-173.6	-58	170.9	0	0	0	108.6	K265 K266 D269 I299 Y300 T302 V303 K307	K265-I305 HydrophobicContact CB-CD1 3.42Å; K265-I305 VanDerWaalsContact CB-CD1 3.42Å; K265-I305 WeakPolarHBondContact O-CD1 3.33Å; K266-I305 HydrophobicContact CG-CD1 4.21Å; K266-I305 HydrophobicContact CG-CG1 3.92Å; D269-I305 HydrophobicContact CB-CG2 4.09Å; I299-I305 HydrophobicContact CG2-CD1 4.47Å; Y300-I305 HydrophobicContact CD1-CG2 3.91Å; Y300-I305 HydrophobicContact CE1-CG2 4.06Å; T302-I305 HydrophobicContact CG2-CB 4.2Å; T302-I305 HydrophobicContact CG2-CD1 4.1Å; T302-I305 HydrophobicContact CG2-CG1 4.1Å; V303-I305 VanDerWaalsContact C-N 3.3Å; V303-I305 PolarHBondContact O-N 3.23Å; I305-K307 PolarHBondContact O-N 3.26Å
306	L	91.9	Very high	92.9	Very high	150 Å²	150	66.5 Å²	66.5	79%	0.785	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-75.5	124.6	173.2	-64.6	176.6	0	0	0	110
307	K	91.6	Very high	93	Very high	98 Å²	98	66.7 Å²	66.7	43%	0.426	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-60.9	139.7	175.9	-62.3	-167.9	168.9	-165.5	0	110.6	Y300 D301 I305 Y311	Y300-K307 WeakPolarHBondContact O-CE 3.29Å; D301-K307 IonicContact OD1-NZ 2.73Å; D301-K307 PolarHBondContact OD1-NZ 3.31Å; I305-K307 PolarHBondContact O-N 3.26Å; K307-Y311 HydrophobicContact CB-CG 4.28Å; K307-Y311 HydrophobicContact CD-CD1 3.81Å; K307-Y311 HydrophobicContact CD-CE1 3.9Å; K307-Y311 HydrophobicContact CD-CG 4.15Å
308	P	88.8	Confident	93.1	Very high	41 Å²	41	69.2 Å²	69.2	27%	0.266	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-63.8	153.8	173.7	24.2	-30.4	0	0	0	111	Y300 N310 Y311	Y300-P308 HydrophobicContact CE1-CG 4.32Å; Y300-P308 HydrophobicContact CE2-CG 4.31Å; P308-N310 VanDerWaalsContact C-N 3.28Å; P308-N310 PolarHBondContact O-N 2.75Å; P308-Y311 HydrophobicContact CG-CD2 4.3Å; P308-Y311 WeakPolarHBondContact O-CB 3.34Å; P308-Y311 PolarHBondContact O-N 2.89Å; P308-Y311 VanDerWaalsContact O-N 3.09Å
309	K	87.1	Confident	93.3	Very high	217 Å²	217	66.1 Å²	66.1	94%	0.943	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.1	-175.8	-71	-175.2	178	-179.8	0	113.2	Y311	K309-Y311 VanDerWaalsContact C-N 3.33Å; K309-Y311 PolarHBondContact O-N 2.98Å
310	N	86.4	Confident	93.4	Very high	149 Å²	149	67.1 Å²	67.1	80%	0.797	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	38.3	179.4	-62.2	-17.7	0	0	0	111.5	P308 N312	P308-N310 VanDerWaalsContact C-N 3.28Å; P308-N310 PolarHBondContact O-N 2.75Å; N310-N312 PolarHBondContact O-N 2.94Å
311	Y	90.8	Very high	93.5	Very high	56 Å²	56	67.6 Å²	67.6	22%	0.22	34%	0.344	C	S	.	.			trans	-61.3	121.9	-176.4	172.3	-106.2	0	0	0	111.8	A296 Y300 D301 K307 P308 K309 S313	A296-Y311 HydrophobicContact CB-CE2 3.98Å; Y300-Y311 HydrophobicContact CD2-CD2 4.07Å; Y300-Y311 AromaticContact CD2-CE2 3.89Å; Y300-Y311 HydrophobicContact CD2-CE2 3.89Å; Y300-Y311 HydrophobicContact CG-CD2 4.25Å; Y300-Y311 HydrophobicContact CG-CE2 4.06Å; D301-Y311 PolarHBondContact OD1-OH 3.47Å; K307-Y311 HydrophobicContact CB-CG 4.28Å; K307-Y311 HydrophobicContact CD-CD1 3.81Å; K307-Y311 HydrophobicContact CD-CE1 3.9Å; K307-Y311 HydrophobicContact CD-CG 4.15Å; P308-Y311 HydrophobicContact CG-CD2 4.3Å; P308-Y311 WeakPolarHBondContact O-CB 3.34Å; P308-Y311 PolarHBondContact O-N 2.89Å; P308-Y311 VanDerWaalsContact O-N 3.09Å; K309-Y311 VanDerWaalsContact C-N 3.33Å; K309-Y311 PolarHBondContact O-N 2.98Å; Y311-S313 WeakPolarHBondContact OH-CA 3.27Å; Y311-S313 WeakPolarHBondContact OH-CB 3.44Å
312	N	92.7	Very high	93.7	Very high	84 Å²	84	66.2 Å²	66.2	45%	0.449	34%	0.344	S	S	.	.			trans	-118.6	119.7	166.8	176.5	-5.5	0	0	0	108.1	A296 N310 N314 Q315	A296-N312 VanDerWaalsContact CB-O 3.25Å; A296-N312 WeakPolarHBondContact CB-O 3.38Å; N310-N312 PolarHBondContact O-N 2.94Å; N312-N314 PolarHBondContact O-N 2.92Å; N312-N314 PolarHBondContact OD1-N 3.43Å; N312-Q315 HydrophobicContact CB-CB 4.19Å; N312-Q315 WeakPolarHBondContact O-CB 3.34Å; N312-Q315 PolarHBondContact O-N 3.49Å; N312-Q315 VanDerWaalsContact O-N 3.12Å
313	S	93.4	Very high	93.9	Very high	43 Å²	43	66.4 Å²	66.4	30%	0.301	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.7	-177.8	58.5	0	0	0	0	113.5	S297 Y311	S297-S313 PolarHBondContact N-O 3.34Å; S297-S313 VanDerWaalsContact N-O 3.08Å; S297-S313 PolarHBondContact OG-O 3.18Å; Y311-S313 WeakPolarHBondContact OH-CA 3.27Å; Y311-S313 WeakPolarHBondContact OH-CB 3.44Å
314	N	95.1	Very high	94	Very high	112 Å²	112	67 Å²	67	60%	0.599	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	0.6	-175.7	-57	-19.3	0	0	0	112.4	N312 E316	N312-N314 PolarHBondContact O-N 2.92Å; N312-N314 PolarHBondContact OD1-N 3.43Å; N314-E316 PolarHBondContact O-N 2.74Å
315	Q	94.1	Very high	94.1	Very high	62 Å²	62	67 Å²	67	29%	0.29	35%	0.349	S	S	.	.			trans	-61.6	131.3	173.6	176.9	176.6	-4.9	0	0	109.3	Q295 A296 N312 F317	Q295-Q315 CarbonylContact C-O 3.53Å; Q295-Q315 WeakPolarHBondContact CA-O 3.23Å; A296-Q315 HydrophobicContact CB-CB 4.14Å; A296-Q315 WeakPolarHBondContact CB-O 3.41Å; A296-Q315 PolarHBondContact N-O 3.19Å; N312-Q315 HydrophobicContact CB-CB 4.19Å; N312-Q315 WeakPolarHBondContact O-CB 3.34Å; N312-Q315 PolarHBondContact O-N 3.49Å; N312-Q315 VanDerWaalsContact O-N 3.12Å; Q315-F317 HydrophobicContact CG-CE1 4.32Å; Q315-F317 HydrophobicContact CG-CE2 4.45Å; Q315-F317 HydrophobicContact CG-CZ 4.07Å; Q315-F317 VanDerWaalsContact NE2-CE1 3.3Å
316	E	95.6	Very high	94.2	Very high	114 Å²	114	73.5 Å²	73.5	53%	0.533	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.7	177.9	-65.9	-169	150	0	0	110.6	T293 I294 Q295 N314	T293-E316 HydrophobicContact CG2-CB 3.74Å; T293-E316 HydrophobicContact CG2-CG 4.13Å; I294-E316 WeakPolarHBondContact O-CA 3.46Å; Q295-E316 HydrophobicContact CG-CG 4.18Å; N314-E316 PolarHBondContact O-N 2.74Å
317	F	96.1	Very high	94.5	Very high	5 Å²	5	69.6 Å²	69.6	2%	0.022	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.1	171.6	-58.4	-76.4	0	0	0	108.2	I272 P278 T293 I294 A296 I299 Y300 Q315 M319	I272-F317 HydrophobicContact CD1-CD1 4.14Å; I272-F317 HydrophobicContact CD1-CD2 3.8Å; I272-F317 HydrophobicContact CD1-CE1 4.22Å; I272-F317 HydrophobicContact CD1-CE2 3.9Å; I272-F317 HydrophobicContact CD1-CG 3.92Å; I272-F317 HydrophobicContact CD1-CZ 4.12Å; I272-F317 HydrophobicContact CG1-CD1 4.2Å; I272-F317 HydrophobicContact CG1-CE1 4.4Å; I272-F317 HydrophobicContact CG1-CG 4.34Å; I272-F317 HydrophobicContact CG2-CD1 4.09Å; I272-F317 HydrophobicContact CG2-CE1 3.57Å; I272-F317 HydrophobicContact CG2-CZ 3.99Å; P278-F317 HydrophobicContact CB-CD1 4.08Å; P278-F317 HydrophobicContact CB-CE1 4.04Å; T293-F317 WeakPolarHBondContact CA-O 3.35Å; I294-F317 HydrophobicContact CG1-CB 4.17Å; I294-F317 PolarHBondContact N-O 3.26Å; I294-F317 PolarHBondContact O-N 3.47Å; A296-F317 HydrophobicContact CB-CE2 3.73Å; A296-F317 HydrophobicContact CB-CZ 4.48Å; I299-F317 HydrophobicContact CD1-CD2 4.15Å; I299-F317 HydrophobicContact CD1-CE2 4.4Å; Y300-F317 HydrophobicContact CE2-CE2 4.19Å; Y300-F317 HydrophobicContact CE2-CZ 4.39Å; Q315-F317 HydrophobicContact CG-CE1 4.32Å; Q315-F317 HydrophobicContact CG-CE2 4.45Å; Q315-F317 HydrophobicContact CG-CZ 4.07Å; Q315-F317 VanDerWaalsContact NE2-CE1 3.3Å; F317-M319 HydrophobicContact CB-CE 3.99Å
318	Y	97.3	Very high	94.9	Very high	82 Å²	82	64.9 Å²	64.9	32%	0.322	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.2	170.3	177	-111.3	0	0	0	108.9	A279 Y280 V281 N291 V320	A279-Y318 WeakPolarHBondContact O-CB 3.13Å; Y280-Y318 HydrophobicContact CD2-CD1 4.03Å; Y280-Y318 HydrophobicContact CD2-CE1 4.04Å; Y280-Y318 HydrophobicContact CE2-CE1 4.11Å; V281-Y318 PolarHBondContact N-O 3.22Å; N291-Y318 HydrophobicContact CB-CE2 3.99Å; Y318-V320 HydrophobicContact CD1-CG1 4.32Å; Y318-V320 HydrophobicContact CE1-CG1 3.54Å
319	M	97.4	Very high	95.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.5	-175.6	-63.2	-176.3	173.7	0	0	111	L268 I272 V281 Y286 N291 I292 I294 F317	L268-M319 HydrophobicContact CD2-CE 4.11Å; L268-M319 HydrophobicContact CD2-SD 3.84Å; I272-M319 HydrophobicContact CD1-CE 3.66Å; I272-M319 HydrophobicContact CG1-CE 3.6Å; V281-M319 HydrophobicContact CB-CG 4.01Å; V281-M319 HydrophobicContact CG1-CE 4.38Å; V281-M319 HydrophobicContact CG1-CG 4.22Å; V281-M319 CarbonylContact O-C 3.55Å; V281-M319 VanDerWaalsContact O-CA 3.25Å; V281-M319 WeakPolarHBondContact O-CA 3.42Å; Y286-M319 HydrophobicContact CD2-CB 4.3Å; Y286-M319 HydrophobicContact CE2-CB 4.06Å; Y286-M319 HydrophobicContact CE2-SD 3.98Å; N291-M319 CarbonylContact C-O 3.57Å; N291-M319 WeakPolarHBondContact CA-O 3.16Å; N291-M319 WeakPolarHBondContact CB-O 3.31Å; I292-M319 HydrophobicContact CG2-CB 4.2Å; I292-M319 PolarHBondContact N-O 3.38Å; I292-M319 PolarHBondContact O-N 3.43Å; I294-M319 HydrophobicContact CD1-CE 3.55Å; I294-M319 HydrophobicContact CD1-SD 3.68Å; I294-M319 HydrophobicContact CG1-CE 4.1Å; I294-M319 HydrophobicContact CG1-SD 4.27Å; F317-M319 HydrophobicContact CB-CE 3.99Å
320	V	97.5	Very high	95.9	Very high	21 Å²	21	58 Å²	58	13%	0.127	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.5	173.5	-61.4	0	0	0	0	110.5	Y280 V281 I282 N283 N291 Y318	Y280-V320 HydrophobicContact CE1-CG2 3.92Å; Y280-V320 HydrophobicContact CE2-CG1 3.95Å; Y280-V320 HydrophobicContact CE2-CG2 4.28Å; V281-V320 PolarHBondContact O-N 3.21Å; I282-V320 HydrophobicContact CG1-CG2 4.04Å; N283-V320 PolarHBondContact N-O 2.6Å; N291-V320 HydrophobicContact CB-CG1 4.19Å; Y318-V320 HydrophobicContact CD1-CG1 4.32Å; Y318-V320 HydrophobicContact CE1-CG1 3.54Å
321	G	97.7	Very high	96.4	Very high	15 Å²	15	51.1 Å²	51.1	16%	0.155	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.6	180	0	0	0	0	0	113.6	Y286 P287 F290	Y286-G321 CarbonylContact O-C 3.6Å; Y286-G321 VanDerWaalsContact O-CA 3.24Å; Y286-G321 WeakPolarHBondContact O-CA 3.29Å; P287-G321 WeakPolarHBondContact O-CA 3.42Å; F290-G321 PolarHBondContact O-N 2.9Å
322	G	96.2	Very high	96.8	Very high	34 Å²	34	48.4 Å²	48.4	35%	0.351	26%	0.259	S	S	.	.			trans	-88.8	-25.5	175.7	0	0	0	0	0	114.3	N283 Y286 D324	N283-G322 PolarHBondContact O-N 2.87Å; Y286-G322 PolarHBondContact O-N 3.25Å; G322-D324 VanDerWaalsContact C-N 3.31Å; G322-D324 PolarHBondContact O-N 2.98Å
323	A	96.6	Very high	97.1	Very high	20 Å²	20	48.6 Å²	48.6	17%	0.165	26%	0.255	C	S	.	.			trans	48.4	47.7	-173.4	0	0	0	0	0	113.8	Y286 K288	Y286-A323 PolarHBondContact O-N 3.18Å; K288-A323 HydrophobicContact CB-CB 3.9Å
324	D	97.1	Very high	97.3	Very high	77 Å²	77	49.1 Å²	49.1	41%	0.412	26%	0.259	S	S	.	.			trans	-108.4	93.6	176.3	-174.2	-23.9	0	0	0	108.5	P284 G322 E326 K327 C328	P284-D324 HydrophobicContact CB-CB 3.83Å; P284-D324 PolarHBondContact O-N 3.01Å; G322-D324 VanDerWaalsContact C-N 3.31Å; G322-D324 PolarHBondContact O-N 2.98Å; D324-E326 PolarHBondContact O-N 2.87Å; D324-E326 PolarHBondContact OD1-N 3.43Å; D324-K327 HydrophobicContact CB-CB 4.08Å; D324-K327 WeakPolarHBondContact OD1-CB 3.46Å; D324-K327 PolarHBondContact OD1-N 3.11Å; D324-K327 WeakPolarHBondContact OD2-CB 3.43Å; D324-C328 VanDerWaalsContact O-CB 3.26Å; D324-C328 WeakPolarHBondContact O-CB 3.38Å; D324-C328 PolarHBondContact O-N 3.39Å
325	S	97.9	Very high	97.4	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-41.8	-176.4	-172.2	0	0	0	0	112.3	C328 G329 C392 H419	S325-C328 PolarHBondContact O-N 3.24Å; S325-G329 PolarHBondContact O-N 3.48Å; S325-C392 WeakPolarHBondContact OG-CB 3.29Å; S325-H419 PolarHBondContact O-CE1 3.45Å; S325-H419 PolarHBondContact O-NE2 3.45Å; S325-H419 PolarHBondContact OG-NE2 3.42Å
326	E	97.9	Very high	97.6	Very high	152 Å²	152	42.2 Å²	42.2	71%	0.71	22%	0.223	S	C	*	.	H	α-helix	trans	-65.8	-50.2	-177.9	-175.4	174.4	-170.9	0	0	110.2	D324 C328 G329 E330	D324-E326 PolarHBondContact O-N 2.87Å; D324-E326 PolarHBondContact OD1-N 3.43Å; E326-C328 VanDerWaalsContact C-N 3.29Å; E326-C328 PolarHBondContact O-N 3.05Å; E326-G329 PolarHBondContact O-N 2.83Å; E326-G329 VanDerWaalsContact O-N 3.08Å; E326-E330 PolarHBondContact O-N 3.33Å
327	K	97.9	Very high	97.6	Very high	67 Å²	67	39.4 Å²	39.4	29%	0.291	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-37.1	177.5	-173.4	60.9	-175.7	171.6	0	112.2	E274 P284 D324 G329 E330 I331	E274-K327 WeakPolarHBondContact OE2-CE 3.35Å; E274-K327 IonicContact OE2-NZ 2.93Å; P284-K327 HydrophobicContact CB-CB 4Å; P284-K327 HydrophobicContact CB-CG 4.04Å; P284-K327 HydrophobicContact CG-CB 4.44Å; P284-K327 HydrophobicContact CG-CG 4.01Å; D324-K327 HydrophobicContact CB-CB 4.08Å; D324-K327 WeakPolarHBondContact OD1-CB 3.46Å; D324-K327 PolarHBondContact OD1-N 3.11Å; D324-K327 WeakPolarHBondContact OD2-CB 3.43Å; K327-G329 VanDerWaalsContact C-N 3.35Å; K327-E330 WeakPolarHBondContact CD-OE2 3.34Å; K327-E330 IonicContact NZ-OE2 3.73Å; K327-E330 PolarHBondContact NZ-OE2 3.25Å; K327-E330 VanDerWaalsContact NZ-OE2 3.12Å; K327-E330 PolarHBondContact O-N 3.32Å; K327-I331 HydrophobicContact CG-CD1 4.22Å; K327-I331 WeakPolarHBondContact O-CG1 3.38Å; K327-I331 PolarHBondContact O-N 2.96Å
328	C	98.6	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-46.1	173.4	-178.7	0	0	0	0	111.5	C285 D324 S325 E326 E330 I331 V332	C285-C328 WeakPolarHBondContact CA-SG 3.37Å; C285-C328 HydrophobicContact CB-CB 3.97Å; C285-C328 WeakPolarHBondContact CB-SG 3.34Å; C285-C328 WeakPolarHBondContact SG-CA 3.47Å; C285-C328 WeakPolarHBondContact SG-CB 3.41Å; C285-C328 CovalentContact SG-SG 2.04Å; C285-C328 PolarHBondContact SG-SG 2.84Å; D324-C328 VanDerWaalsContact O-CB 3.26Å; D324-C328 WeakPolarHBondContact O-CB 3.38Å; D324-C328 PolarHBondContact O-N 3.39Å; S325-C328 PolarHBondContact O-N 3.24Å; E326-C328 VanDerWaalsContact C-N 3.29Å; E326-C328 PolarHBondContact O-N 3.05Å; C328-E330 PolarHBondContact O-N 3.49Å; C328-I331 PolarHBondContact O-N 3.13Å; C328-V332 WeakPolarHBondContact O-CB 3.41Å; C328-V332 WeakPolarHBondContact O-CG2 3.38Å; C328-V332 PolarHBondContact O-N 2.98Å
329	G	98.5	Very high	97.3	Very high	13 Å²	13	45.9 Å²	45.9	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-44.2	176.1	0	0	0	0	0	112.9	S325 E326 K327 V332 K333 H419	S325-G329 PolarHBondContact O-N 3.48Å; E326-G329 PolarHBondContact O-N 2.83Å; E326-G329 VanDerWaalsContact O-N 3.08Å; K327-G329 VanDerWaalsContact C-N 3.35Å; G329-V332 PolarHBondContact O-N 2.99Å; G329-K333 WeakPolarHBondContact O-CB 3.49Å; G329-K333 PolarHBondContact O-N 3.41Å; G329-H419 WeakPolarHBondContact CA-ND1 3.35Å
330	E	98.4	Very high	96.9	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-59.4	-48.1	175.3	-67.3	-176.2	162.4	0	0	112.5	E326 K327 C328 V332 K333 S334	E326-E330 PolarHBondContact O-N 3.33Å; K327-E330 WeakPolarHBondContact CD-OE2 3.34Å; K327-E330 IonicContact NZ-OE2 3.73Å; K327-E330 PolarHBondContact NZ-OE2 3.25Å; K327-E330 VanDerWaalsContact NZ-OE2 3.12Å; K327-E330 PolarHBondContact O-N 3.32Å; C328-E330 PolarHBondContact O-N 3.49Å; E330-V332 VanDerWaalsContact C-N 3.35Å; E330-V332 PolarHBondContact O-N 2.98Å; E330-K333 PolarHBondContact O-N 3.3Å; E330-S334 PolarHBondContact O-N 3.26Å
331	I	98.5	Very high	96.6	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-45.3	-179.6	-68.7	173.4	0	0	0	110	V267 K270 V271 P284 K327 C328 K333 S334	V267-I331 HydrophobicContact CG1-CG2 3.95Å; K270-I331 HydrophobicContact CB-CG2 3.64Å; K270-I331 HydrophobicContact CG-CG2 4.33Å; V271-I331 HydrophobicContact CG2-CD1 3.9Å; V271-I331 HydrophobicContact CG2-CG2 4.33Å; P284-I331 HydrophobicContact CG-CD1 3.58Å; K327-I331 HydrophobicContact CG-CD1 4.22Å; K327-I331 WeakPolarHBondContact O-CG1 3.38Å; K327-I331 PolarHBondContact O-N 2.96Å; C328-I331 PolarHBondContact O-N 3.13Å; I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 PolarHBondContact O-N 3.37Å; I331-S334 WeakPolarHBondContact O-CB 3.18Å; I331-S334 PolarHBondContact O-N 2.87Å; I331-S334 PolarHBondContact O-OG 3.26Å
332	V	98.7	Very high	96.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-48.4	176	171.3	0	0	0	0	110.3	V267 C328 G329 E330 S334 I335 F336 F416 H419 Y420	V267-V332 HydrophobicContact CG2-CG2 4.06Å; C328-V332 WeakPolarHBondContact O-CB 3.41Å; C328-V332 WeakPolarHBondContact O-CG2 3.38Å; C328-V332 PolarHBondContact O-N 2.98Å; G329-V332 PolarHBondContact O-N 2.99Å; E330-V332 VanDerWaalsContact C-N 3.35Å; E330-V332 PolarHBondContact O-N 2.98Å; V332-S334 PolarHBondContact O-N 2.89Å; V332-I335 VanDerWaalsContact O-CG1 3.28Å; V332-I335 WeakPolarHBondContact O-CG1 3.38Å; V332-I335 PolarHBondContact O-N 3.4Å; V332-F336 HydrophobicContact CG1-CE2 4.47Å; V332-F336 WeakPolarHBondContact O-CD2 3.29Å; V332-F416 HydrophobicContact CG2-CD2 4.16Å; V332-H419 HydrophobicContact CB-CB 4.2Å; V332-H419 HydrophobicContact CG1-CB 4.2Å; V332-H419 HydrophobicContact CG2-CB 3.91Å; V332-Y420 HydrophobicContact CG1-CD2 4.32Å
333	K	98.5	Very high	95.7	Very high	87 Å²	87	58.1 Å²	58.1	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-33.5	178.6	-167.5	165.8	-175.7	139.3	0	112.4	G329 E330 I331 I335 F336 F338 T423 D427	G329-K333 WeakPolarHBondContact O-CB 3.49Å; G329-K333 PolarHBondContact O-N 3.41Å; E330-K333 PolarHBondContact O-N 3.3Å; I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 PolarHBondContact O-N 3.37Å; K333-I335 PolarHBondContact O-N 2.93Å; K333-F336 PolarHBondContact O-N 3.48Å; K333-F338 HydrophobicContact CG-CE2 3.95Å; K333-T423 HydrophobicContact CB-CG2 4.34Å; K333-T423 HydrophobicContact CG-CG2 4.2Å; K333-D427 IonicContact NZ-OD1 3.99Å; K333-D427 PolarHBondContact NZ-OD1 3.47Å; K333-D427 IonicContact NZ-OD2 2.7Å; K333-D427 PolarHBondContact NZ-OD2 3.31Å
334	S	97.7	Very high	95.2	Very high	54 Å²	54	67.9 Å²	67.9	38%	0.378	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.4	180	86.2	0	0	0	0	115.5	E330 I331 V332 F336	E330-S334 PolarHBondContact O-N 3.26Å; I331-S334 WeakPolarHBondContact O-CB 3.18Å; I331-S334 PolarHBondContact O-N 2.87Å; I331-S334 PolarHBondContact O-OG 3.26Å; V332-S334 PolarHBondContact O-N 2.89Å; S334-F336 VanDerWaalsContact C-N 3.26Å
335	I	97.6	Very high	94.9	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.082	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	177.6	84.7	-170.3	0	0	0	112.4	Y258 A263 K266 V267 K270 V332 K333 Y420	Y258-I335 HydrophobicContact CE1-CG1 4.37Å; Y258-I335 PolarHBondContact OH-O 3Å; A263-I335 HydrophobicContact CB-CD1 4.15Å; K266-I335 HydrophobicContact CB-CB 4.29Å; K266-I335 HydrophobicContact CB-CD1 4.46Å; K266-I335 HydrophobicContact CB-CG2 4.05Å; V267-I335 HydrophobicContact CG2-CD1 4.18Å; V267-I335 HydrophobicContact CG2-CG2 4.1Å; K270-I335 HydrophobicContact CG-CG2 4.4Å; V332-I335 VanDerWaalsContact O-CG1 3.28Å; V332-I335 WeakPolarHBondContact O-CG1 3.38Å; V332-I335 PolarHBondContact O-N 3.4Å; K333-I335 PolarHBondContact O-N 2.93Å; I335-Y420 HydrophobicContact CD1-CD2 4.04Å; I335-Y420 HydrophobicContact CD1-CE2 4Å
336	F	97.9	Very high	94.7	Very high	14 Å²	14	67.1 Å²	67.1	6%	0.061	35%	0.347	C	S	.	.	S	Bend	trans	-104.6	144.4	176.5	-60.6	-90.8	0	0	0	110.4	Y258 V332 K333 S334 F338 F348 Y420 T423 L424	Y258-F336 HydrophobicContact CD1-CD1 4.07Å; Y258-F336 AromaticContact CD1-CE1 3.63Å; Y258-F336 HydrophobicContact CD1-CE1 3.63Å; Y258-F336 HydrophobicContact CD1-CZ 4.27Å; Y258-F336 AromaticContact CE1-CD1 3.61Å; Y258-F336 HydrophobicContact CE1-CD1 3.61Å; Y258-F336 AromaticContact CE1-CE1 3.66Å; Y258-F336 HydrophobicContact CE1-CE1 3.66Å; Y258-F336 HydrophobicContact CE1-CG 4.29Å; Y258-F336 HydrophobicContact CE1-CZ 4.38Å; V332-F336 HydrophobicContact CG1-CE2 4.47Å; V332-F336 WeakPolarHBondContact O-CD2 3.29Å; K333-F336 PolarHBondContact O-N 3.48Å; S334-F336 VanDerWaalsContact C-N 3.26Å; F336-F338 HydrophobicContact CB-CD2 4.2Å; F336-F338 HydrophobicContact CB-CE1 3.85Å; F336-F338 HydrophobicContact CB-CE2 3.48Å; F336-F338 VanDerWaalsContact CB-CE2 3.48Å; F336-F338 HydrophobicContact CB-CZ 3.28Å; F336-F338 HydrophobicContact CD1-CE1 4.49Å; F336-F338 HydrophobicContact CD1-CZ 4.22Å; F336-F338 HydrophobicContact CD2-CZ 4.18Å; F336-F338 HydrophobicContact CG-CE1 4.31Å; F336-F338 HydrophobicContact CG-CE2 4.23Å; F336-F338 AromaticContact CG-CZ 3.68Å; F336-F338 HydrophobicContact CG-CZ 3.68Å; F336-F348 HydrophobicContact CD1-CB 4.37Å; F336-F348 HydrophobicContact CD1-CD1 4.07Å; F336-F348 AromaticContact CD1-CD2 3.66Å; F336-F348 HydrophobicContact CD1-CD2 3.66Å; F336-F348 HydrophobicContact CD1-CE1 4.23Å; F336-F348 AromaticContact CD1-CE2 3.83Å; F336-F348 HydrophobicContact CD1-CE2 3.83Å; F336-F348 AromaticContact CD1-CG 3.78Å; F336-F348 HydrophobicContact CD1-CG 3.78Å; F336-F348 HydrophobicContact CD1-CZ 4.1Å; F336-F348 HydrophobicContact CE1-CD1 4.37Å; F336-F348 HydrophobicContact CE1-CD2 4.35Å; F336-F348 HydrophobicContact CE1-CE1 4.12Å; F336-F348 HydrophobicContact CE1-CE2 4.09Å; F336-F348 HydrophobicContact CE1-CG 4.48Å; F336-F348 AromaticContact CE1-CZ 3.95Å; F336-F348 HydrophobicContact CE1-CZ 3.95Å; F336-Y420 HydrophobicContact CE1-CE2 4.13Å; F336-Y420 AromaticContact CE2-CD2 3.95Å; F336-Y420 HydrophobicContact CE2-CD2 3.95Å; F336-Y420 AromaticContact CE2-CE2 3.89Å; F336-Y420 HydrophobicContact CE2-CE2 3.89Å; F336-Y420 AromaticContact CZ-CD2 3.7Å; F336-Y420 HydrophobicContact CZ-CD2 3.7Å; F336-Y420 AromaticContact CZ-CE2 3.25Å; F336-Y420 HydrophobicContact CZ-CE2 3.25Å; F336-T423 HydrophobicContact CD2-CG2 3.76Å; F336-T423 HydrophobicContact CE2-CG2 3.69Å; F336-T423 HydrophobicContact CZ-CG2 4.42Å; F336-L424 HydrophobicContact CE1-CD1 4Å; F336-L424 HydrophobicContact CZ-CB 4.25Å; F336-L424 HydrophobicContact CZ-CD1 4.46Å
337	N	96.6	Very high	94.7	Very high	54 Å²	54	60 Å²	60	29%	0.289	31%	0.314	S	S	.	.			trans	-106.6	106.8	168.5	-179.4	-3.2	0	0	0	110.1	Q339 N340 F348 N349	N337-Q339 PolarHBondContact OD1-N 3.2Å; N337-N340 VanDerWaalsContact ND2-CG 3.34Å; N337-N340 PolarHBondContact ND2-ND2 2.82Å; N337-N340 PolarHBondContact OD1-N 3.4Å; N337-F348 CarbonylContact O-C 3.55Å; N337-F348 WeakPolarHBondContact O-CA 3.34Å; N337-N349 WeakPolarHBondContact CB-OD1 3.46Å; N337-N349 PolarHBondContact N-OD1 3.48Å; N337-N349 VanDerWaalsContact N-OD1 3.14Å; N337-N349 PolarHBondContact O-N 3.26Å
338	F	95.7	Very high	94.7	Very high	50 Å²	50	56.8 Å²	56.8	22%	0.219	30%	0.3	C	S	.	.			trans	-95.5	-5.2	177.5	-57	-65.2	0	0	0	114.1	K333 F336 F348 T423 D427	K333-F338 HydrophobicContact CG-CE2 3.95Å; F336-F338 HydrophobicContact CB-CD2 4.2Å; F336-F338 HydrophobicContact CB-CE1 3.85Å; F336-F338 HydrophobicContact CB-CE2 3.48Å; F336-F338 VanDerWaalsContact CB-CE2 3.48Å; F336-F338 HydrophobicContact CB-CZ 3.28Å; F336-F338 HydrophobicContact CD1-CE1 4.49Å; F336-F338 HydrophobicContact CD1-CZ 4.22Å; F336-F338 HydrophobicContact CD2-CZ 4.18Å; F336-F338 HydrophobicContact CG-CE1 4.31Å; F336-F338 HydrophobicContact CG-CE2 4.23Å; F336-F338 AromaticContact CG-CZ 3.68Å; F336-F338 HydrophobicContact CG-CZ 3.68Å; F338-F348 HydrophobicContact CD1-CB 3.78Å; F338-F348 HydrophobicContact CE1-CB 3.73Å; F338-T423 HydrophobicContact CE2-CG2 4.37Å; F338-T423 HydrophobicContact CZ-CG2 3.98Å; F338-D427 HydrophobicContact CE1-CB 3.81Å; F338-D427 WeakPolarHBondContact CE1-O 3.26Å; F338-D427 HydrophobicContact CE2-CB 4.02Å; F338-D427 HydrophobicContact CZ-CB 3.52Å
339	Q	91	Very high	94.6	Very high	173 Å²	173	60 Å²	60	81%	0.808	32%	0.317	S	S	*	.	S	Bend	trans	-86.5	-28.6	-172.7	-61.7	-60.5	-38	0	0	112.7	N337	N337-Q339 PolarHBondContact OD1-N 3.2Å
340	N	88.3	Confident	94.4	Very high	100 Å²	100	60.9 Å²	60.9	54%	0.535	33%	0.327	S	S	.	.			trans	-87.5	115.3	-179.3	-67.2	1.8	0	0	0	109.8	N337 G350	N337-N340 VanDerWaalsContact ND2-CG 3.34Å; N337-N340 PolarHBondContact ND2-ND2 2.82Å; N337-N340 PolarHBondContact OD1-N 3.4Å; N340-G350 WeakPolarHBondContact O-CA 2.98Å; N340-G350 PolarHBondContact O-N 3.44Å; N340-G350 VanDerWaalsContact O-N 3.13Å
341	C	90.6	Very high	94.3	Very high	57 Å²	57	57.4 Å²	57.4	39%	0.385	31%	0.312	S	S	.	.			trans	-149	121.2	167.8	-174	0	0	0	0	111	S343 C346	C341-S343 PolarHBondContact SG-O 3.48Å; C341-C346 WeakPolarHBondContact CA-SG 3.46Å; C341-C346 HydrophobicContact CB-CB 3.66Å; C341-C346 WeakPolarHBondContact CB-SG 3.39Å; C341-C346 WeakPolarHBondContact SG-CB 2.95Å; C341-C346 PolarHBondContact SG-N 3.44Å; C341-C346 VanDerWaalsContact SG-N 3.35Å; C341-C346 CovalentContact SG-SG 2.03Å; C341-C346 PolarHBondContact SG-SG 2.64Å
342	S	88.8	Confident	94.1	Very high	126 Å²	126	61 Å²	61	88%	0.881	33%	0.329	S	S	*	.	S	Bend	trans	-97	-8.9	177.6	-55.7	0	0	0	0	113.1
343	S	87.5	Confident	93.9	Very high	44 Å²	44	61.1 Å²	61.1	31%	0.308	33%	0.329	S	S	.	.	S	Bend	trans	-105.2	174.7	179.6	-62.2	0	0	0	0	110.8	C341 Q345 E352	C341-S343 PolarHBondContact SG-O 3.48Å; S343-Q345 PolarHBondContact O-N 3.21Å; S343-E352 WeakPolarHBondContact CB-OE2 3.28Å; S343-E352 PolarHBondContact OG-OE2 3.03Å
344	K	86.2	Confident	93.7	Very high	225 Å²	225	58 Å²	58	98%	0.978	32%	0.318	S	S	*	.	S	Bend	trans	-59.2	-37.6	177.6	-70	-177.1	-178.8	175.9	0	112.5
345	Q	89.4	Confident	93.6	Very high	62 Å²	62	59.1 Å²	59.1	29%	0.29	32%	0.324	S	S	.	.	S	Bend	trans	-144.4	135	178.5	-177.8	170.2	-17.1	0	0	109	S343 Q353	S343-Q345 PolarHBondContact O-N 3.21Å; Q345-Q353 WeakPolarHBondContact CG-O 3.4Å; Q345-Q353 PolarHBondContact O-N 2.73Å; Q345-Q353 VanDerWaalsContact O-N 3.11Å
346	C	95.1	Very high	93.5	Very high	11 Å²	11	59 Å²	59	7%	0.074	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-125.7	158.3	173.1	-60.3	0	0	0	0	109.4	C341 V351 K430	C341-C346 WeakPolarHBondContact CA-SG 3.46Å; C341-C346 HydrophobicContact CB-CB 3.66Å; C341-C346 WeakPolarHBondContact CB-SG 3.39Å; C341-C346 WeakPolarHBondContact SG-CB 2.95Å; C341-C346 PolarHBondContact SG-N 3.44Å; C341-C346 VanDerWaalsContact SG-N 3.35Å; C341-C346 CovalentContact SG-SG 2.03Å; C341-C346 PolarHBondContact SG-SG 2.64Å; C346-V351 CarbonylContact C-O 3.57Å; C346-V351 WeakPolarHBondContact CA-O 3.43Å; C346-V351 WeakPolarHBondContact CB-O 3.47Å; C346-K430 WeakPolarHBondContact O-CE 3.37Å
347	S	96.7	Very high	93.2	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.014	35%	0.347	C	S	.	.	S	Bend	trans	-77.2	-85.5	166.7	50.7	0	0	0	0	110	F255 V351 G428	F255-S347 VanDerWaalsContact CZ-OG 3.23Å; F255-S347 WeakPolarHBondContact CZ-OG 3.49Å; S347-V351 PolarHBondContact N-O 3.11Å; S347-V351 PolarHBondContact OG-O 3.42Å; S347-G428 CarbonylContact C-O 3.24Å; S347-G428 WeakPolarHBondContact CA-O 3.43Å; S347-G428 VanDerWaalsContact CB-O 3.25Å; S347-G428 WeakPolarHBondContact CB-O 3.42Å
348	F	97.7	Very high	93.1	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	35%	0.35	C	S	.	.	S	Bend	trans	-149	167.9	172.8	60.6	-86.8	0	0	0	110.6	F255 Y258 F336 N337 F338 G350 V351 L424 Y429	F255-F348 HydrophobicContact CB-CE2 4.4Å; F255-F348 HydrophobicContact CB-CZ 3.9Å; F255-F348 HydrophobicContact CD1-CD2 4.24Å; F255-F348 AromaticContact CD1-CE1 3.83Å; F255-F348 HydrophobicContact CD1-CE1 3.83Å; F255-F348 AromaticContact CD1-CE2 3.4Å; F255-F348 HydrophobicContact CD1-CE2 3.4Å; F255-F348 VanDerWaalsContact CD1-CE2 3.4Å; F255-F348 AromaticContact CD1-CZ 3.17Å; F255-F348 HydrophobicContact CD1-CZ 3.17Å; F255-F348 HydrophobicContact CD2-CE1 4.14Å; F255-F348 AromaticContact CD2-CZ 3.9Å; F255-F348 HydrophobicContact CD2-CZ 3.9Å; F255-F348 HydrophobicContact CE1-CD1 4.17Å; F255-F348 HydrophobicContact CE1-CD2 4.26Å; F255-F348 AromaticContact CE1-CE1 3.71Å; F255-F348 HydrophobicContact CE1-CE1 3.71Å; F255-F348 AromaticContact CE1-CE2 3.82Å; F255-F348 HydrophobicContact CE1-CE2 3.82Å; F255-F348 HydrophobicContact CE1-CG 4.43Å; F255-F348 AromaticContact CE1-CZ 3.54Å; F255-F348 HydrophobicContact CE1-CZ 3.54Å; F255-F348 HydrophobicContact CE2-CE1 4.08Å; F255-F348 HydrophobicContact CE2-CZ 4.24Å; F255-F348 HydrophobicContact CG-CE1 4.04Å; F255-F348 AromaticContact CG-CE2 4Å; F255-F348 HydrophobicContact CG-CE2 4Å; F255-F348 AromaticContact CG-CZ 3.36Å; F255-F348 HydrophobicContact CG-CZ 3.36Å; F255-F348 HydrophobicContact CZ-CD1 4.39Å; F255-F348 AromaticContact CZ-CE1 3.87Å; F255-F348 HydrophobicContact CZ-CE1 3.87Å; F255-F348 HydrophobicContact CZ-CZ 4.08Å; Y258-F348 AromaticContact CD1-CE2 3.66Å; Y258-F348 HydrophobicContact CD1-CE2 3.66Å; Y258-F348 AromaticContact CD1-CZ 3.94Å; Y258-F348 HydrophobicContact CD1-CZ 3.94Å; Y258-F348 AromaticContact CD2-CE2 3.91Å; Y258-F348 HydrophobicContact CD2-CE2 3.91Å; Y258-F348 HydrophobicContact CD2-CZ 4.44Å; Y258-F348 HydrophobicContact CE1-CD2 4.18Å; Y258-F348 AromaticContact CE1-CE2 3.54Å; Y258-F348 HydrophobicContact CE1-CE2 3.54Å; Y258-F348 HydrophobicContact CE1-CZ 4.25Å; Y258-F348 AromaticContact CE2-CE2 3.81Å; Y258-F348 HydrophobicContact CE2-CE2 3.81Å; Y258-F348 AromaticContact CG-CE2 3.86Å; Y258-F348 HydrophobicContact CG-CE2 3.86Å; Y258-F348 HydrophobicContact CG-CZ 4.05Å; Y258-F348 AromaticContact CZ-CE2 3.63Å; F336-F348 HydrophobicContact CD1-CB 4.37Å; F336-F348 HydrophobicContact CD1-CD1 4.07Å; F336-F348 AromaticContact CD1-CD2 3.66Å; F336-F348 HydrophobicContact CD1-CD2 3.66Å; F336-F348 HydrophobicContact CD1-CE1 4.23Å; F336-F348 AromaticContact CD1-CE2 3.83Å; F336-F348 HydrophobicContact CD1-CE2 3.83Å; F336-F348 AromaticContact CD1-CG 3.78Å; F336-F348 HydrophobicContact CD1-CG 3.78Å; F336-F348 HydrophobicContact CD1-CZ 4.1Å; F336-F348 HydrophobicContact CE1-CD1 4.37Å; F336-F348 HydrophobicContact CE1-CD2 4.35Å; F336-F348 HydrophobicContact CE1-CE1 4.12Å; F336-F348 HydrophobicContact CE1-CE2 4.09Å; F336-F348 HydrophobicContact CE1-CG 4.48Å; F336-F348 AromaticContact CE1-CZ 3.95Å; F336-F348 HydrophobicContact CE1-CZ 3.95Å; N337-F348 CarbonylContact O-C 3.55Å; N337-F348 WeakPolarHBondContact O-CA 3.34Å; F338-F348 HydrophobicContact CD1-CB 3.78Å; F338-F348 HydrophobicContact CE1-CB 3.73Å; F348-G350 PolarHBondContact O-N 3.15Å; F348-V351 WeakPolarHBondContact O-CB 3.39Å; F348-V351 PolarHBondContact O-N 3.2Å; F348-V351 VanDerWaalsContact O-N 3.1Å; F348-L424 HydrophobicContact CD1-CD1 4.47Å; F348-L424 HydrophobicContact CE1-CD1 3.54Å; F348-L424 HydrophobicContact CZ-CD1 4.01Å; F348-Y429 HydrophobicContact CE1-CE1 4.17Å
349	N	96.3	Very high	93.1	Very high	67 Å²	67	62 Å²	62	36%	0.358	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.9	-176.6	-62.9	-11.8	0	0	0	114.4	Y258 N337 V351	Y258-N349 VanDerWaalsContact CE2-ND2 3.33Å; Y258-N349 WeakPolarHBondContact CE2-ND2 3.33Å; Y258-N349 VanDerWaalsContact CZ-ND2 3.33Å; Y258-N349 PolarHBondContact OH-ND2 2.91Å; N337-N349 WeakPolarHBondContact CB-OD1 3.46Å; N337-N349 PolarHBondContact N-OD1 3.48Å; N337-N349 VanDerWaalsContact N-OD1 3.14Å; N337-N349 PolarHBondContact O-N 3.26Å; N349-V351 PolarHBondContact O-N 3.1Å
350	G	95.4	Very high	93.4	Very high	32 Å²	32	53.8 Å²	53.8	33%	0.33	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	12.5	-178.3	0	0	0	0	0	115	N340 F348 E352	N340-G350 WeakPolarHBondContact O-CA 2.98Å; N340-G350 PolarHBondContact O-N 3.44Å; N340-G350 VanDerWaalsContact O-N 3.13Å; F348-G350 PolarHBondContact O-N 3.15Å; G350-E352 PolarHBondContact O-N 3.02Å
351	V	95.8	Very high	93.9	Very high	27 Å²	27	49.1 Å²	49.1	16%	0.164	29%	0.291	C	S	.	.			trans	-81.2	114.7	177.7	177.2	0	0	0	0	109.7	H253 F255 C346 S347 F348 N349 Q353	H253-V351 VanDerWaalsContact CE1-CG1 3.43Å; H253-V351 WeakPolarHBondContact CE1-CG1 3.35Å; F255-V351 HydrophobicContact CE1-CB 3.84Å; F255-V351 HydrophobicContact CE1-CG1 3.98Å; F255-V351 HydrophobicContact CE1-CG2 3.76Å; F255-V351 HydrophobicContact CZ-CB 4.2Å; F255-V351 HydrophobicContact CZ-CG1 3.94Å; C346-V351 CarbonylContact C-O 3.57Å; C346-V351 WeakPolarHBondContact CA-O 3.43Å; C346-V351 WeakPolarHBondContact CB-O 3.47Å; S347-V351 PolarHBondContact N-O 3.11Å; S347-V351 PolarHBondContact OG-O 3.42Å; F348-V351 WeakPolarHBondContact O-CB 3.39Å; F348-V351 PolarHBondContact O-N 3.2Å; F348-V351 VanDerWaalsContact O-N 3.1Å; N349-V351 PolarHBondContact O-N 3.1Å; V351-Q353 PolarHBondContact O-N 2.65Å
352	E	94.2	Very high	94.2	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.374	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-54.9	135	171.6	-178.4	178.4	133.5	0	0	110.7	Y238 Y251 S343 G350	Y238-E352 PolarHBondContact OH-OE1 2.89Å; Y251-E352 PolarHBondContact OH-O 3.45Å; S343-E352 WeakPolarHBondContact CB-OE2 3.28Å; S343-E352 PolarHBondContact OG-OE2 3.03Å; G350-E352 PolarHBondContact O-N 3.02Å
353	Q	94.8	Very high	94.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.231	C	C	.	.			trans	-144.2	126.6	174	-177.1	177.2	-69.3	0	0	109.4	Y251 Q345 V351 Y429	Y251-Q353 HydrophobicContact CE1-CB 4.47Å; Y251-Q353 HydrophobicContact CE1-CG 3.75Å; Q345-Q353 WeakPolarHBondContact CG-O 3.4Å; Q345-Q353 PolarHBondContact O-N 2.73Å; Q345-Q353 VanDerWaalsContact O-N 3.11Å; V351-Q353 PolarHBondContact O-N 2.65Å; Q353-Y429 PolarHBondContact NE2-O 2.85Å
354	P	94.4	Very high	94.9	Very high	23 Å²	23	40 Å²	40	15%	0.149	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-59.7	154.9	169.5	-23.6	34.4	0	0	0	112.2	F227 V229 Y238 Y251 V356	F227-P354 HydrophobicContact CE2-CB 4.19Å; F227-P354 HydrophobicContact CZ-CB 4.09Å; V229-P354 HydrophobicContact CG1-CB 4.31Å; V229-P354 HydrophobicContact CG1-CG 4.2Å; Y238-P354 HydrophobicContact CE1-CG 4.11Å; Y238-P354 WeakPolarHBondContact OH-CG 3.31Å; Y251-P354 VanDerWaalsContact CD2-CD 3.46Å; Y251-P354 HydrophobicContact CD2-CG 4Å; Y251-P354 HydrophobicContact CG-CG 4.08Å; P354-V356 PolarHBondContact O-N 3.49Å
355	P	95.1	Very high	95.4	Very high	76 Å²	76	29.9 Å²	29.9	49%	0.494	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-51.6	136.6	170.5	-21.2	28.4	0	0	0	111.5
356	V	95.3	Very high	95.8	Very high	15 Å²	15	27 Å²	27	9%	0.091	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-70	134.1	174.4	-67.8	0	0	0	0	109.7	I225 F227 P354 F360 F431 T435	I225-V356 HydrophobicContact CD1-CG1 4.2Å; F227-V356 HydrophobicContact CE1-CG1 4.42Å; P354-V356 PolarHBondContact O-N 3.49Å; V356-F360 HydrophobicContact CB-CE2 3.89Å; V356-F360 HydrophobicContact CB-CZ 3.84Å; V356-F360 HydrophobicContact CG1-CE2 4.43Å; V356-F360 HydrophobicContact CG1-CZ 3.94Å; V356-F431 HydrophobicContact CB-CE1 3.95Å; V356-F431 HydrophobicContact CB-CE2 4.49Å; V356-F431 HydrophobicContact CB-CZ 3.93Å; V356-F431 HydrophobicContact CG1-CE1 4.32Å; V356-F431 HydrophobicContact CG1-CE2 3.98Å; V356-F431 HydrophobicContact CG1-CZ 3.81Å; V356-F431 HydrophobicContact CG2-CD1 3.83Å; V356-F431 HydrophobicContact CG2-CE1 3.76Å; V356-F431 HydrophobicContact CG2-CE2 4.48Å; V356-F431 HydrophobicContact CG2-CG 4.23Å; V356-F431 HydrophobicContact CG2-CZ 4.1Å; V356-T435 HydrophobicContact CG2-CG2 4.49Å
357	T	92.4	Very high	95.9	Very high	89 Å²	89	27.5 Å²	27.5	55%	0.546	18%	0.176	S	C	.	.			trans	-139.6	142.5	-177.8	58.4	0	0	0	0	111	F360	T357-F360 WeakPolarHBondContact O-CE2 3.19Å
358	G	93.9	Very high	95.9	Very high	33 Å²	33	30.9 Å²	30.9	34%	0.34	19%	0.191	S	C	.	.	S	Bend	trans	77.3	-167	179.5	0	0	0	0	0	113.7	N438	G358-N438 WeakPolarHBondContact O-CB 3.36Å
359	D	96.5	Very high	95.9	Very high	59 Å²	59	30.9 Å²	30.9	32%	0.316	19%	0.191	S	C	.	.			trans	-76.4	149.1	177.1	-75	-27.4	0	0	0	112.1	V213 G214 N438 H440	V213-D359 CarbonylContact C-O 3.51Å; V213-D359 WeakPolarHBondContact CA-O 3.48Å; V213-D359 HydrophobicContact CG1-CB 4.19Å; V213-D359 WeakPolarHBondContact CG1-O 3.17Å; V213-D359 HydrophobicContact CG2-CB 4.19Å; G214-D359 PolarHBondContact N-O 3Å; D359-N438 CarbonylContact C-O 3.53Å; D359-N438 WeakPolarHBondContact CA-O 3.33Å; D359-H440 IonicContact OD1-NE2 3.38Å
360	F	97.7	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.8	175.9	-78.1	-103.6	0	0	0	111.6	G214 M216 I225 F227 V356 T357 F431 N438 H440	G214-F360 CarbonylContact O-C 3.51Å; G214-F360 WeakPolarHBondContact O-CA 3.41Å; M216-F360 HydrophobicContact CE-CB 3.71Å; M216-F360 HydrophobicContact CE-CD1 4.16Å; M216-F360 HydrophobicContact CE-CG 4.2Å; M216-F360 HydrophobicContact CG-CD1 4.09Å; M216-F360 HydrophobicContact SD-CD1 4.37Å; I225-F360 HydrophobicContact CD1-CE1 4.22Å; I225-F360 HydrophobicContact CG1-CE1 4.26Å; F227-F360 HydrophobicContact CB-CE1 3.84Å; F227-F360 HydrophobicContact CB-CZ 3.82Å; F227-F360 AromaticContact CD1-CE1 3.72Å; F227-F360 HydrophobicContact CD1-CE1 3.72Å; F227-F360 AromaticContact CD1-CZ 3.79Å; F227-F360 HydrophobicContact CD1-CZ 3.79Å; F227-F360 HydrophobicContact CD2-CZ 4.36Å; F227-F360 HydrophobicContact CE1-CZ 4.42Å; F227-F360 AromaticContact CG-CE1 3.97Å; F227-F360 HydrophobicContact CG-CE1 3.97Å; F227-F360 AromaticContact CG-CZ 3.75Å; F227-F360 HydrophobicContact CG-CZ 3.75Å; V356-F360 HydrophobicContact CB-CE2 3.89Å; V356-F360 HydrophobicContact CB-CZ 3.84Å; V356-F360 HydrophobicContact CG1-CE2 4.43Å; V356-F360 HydrophobicContact CG1-CZ 3.94Å; T357-F360 WeakPolarHBondContact O-CE2 3.19Å; F360-F431 HydrophobicContact CB-CZ 4.31Å; F360-F431 AromaticContact CD1-CZ 3.92Å; F360-F431 HydrophobicContact CD1-CZ 3.92Å; F360-F431 AromaticContact CD2-CE1 3.71Å; F360-F431 HydrophobicContact CD2-CE1 3.71Å; F360-F431 AromaticContact CD2-CZ 3.66Å; F360-F431 HydrophobicContact CD2-CZ 3.66Å; F360-F431 HydrophobicContact CE1-CZ 4.11Å; F360-F431 AromaticContact CE2-CE1 4Å; F360-F431 HydrophobicContact CE2-CE1 4Å; F360-F431 AromaticContact CE2-CZ 3.88Å; F360-F431 HydrophobicContact CE2-CZ 3.88Å; F360-F431 HydrophobicContact CG-CE1 4.13Å; F360-F431 AromaticContact CG-CZ 3.7Å; F360-F431 HydrophobicContact CG-CZ 3.7Å; F360-F431 HydrophobicContact CZ-CZ 4.1Å; F360-N438 PolarHBondContact N-O 3.12Å; F360-H440 WeakPolarHBondContact O-CB 3.24Å; F360-H440 PolarHBondContact O-N 3.44Å
361	M	97.7	Very high	96	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.3	172.7	-170.8	58.3	66.3	0	0	109.9	V188 V213 G214 M216 Y363 H440 E442 I445 I450	V188-M361 HydrophobicContact CG1-CB 3.73Å; V188-M361 HydrophobicContact CG1-CG 4.27Å; V188-M361 HydrophobicContact CG2-CB 4.01Å; V188-M361 HydrophobicContact CG2-CG 4.1Å; V213-M361 HydrophobicContact CG1-CB 4.1Å; G214-M361 PolarHBondContact O-N 2.98Å; M216-M361 PolarHBondContact N-O 2.91Å; M361-Y363 HydrophobicContact CG-CD1 4.29Å; M361-H440 HydrophobicContact CE-CB 3.87Å; M361-H440 HydrophobicContact SD-CB 3.88Å; M361-E442 HydrophobicContact CE-CG 4.47Å; M361-E442 HydrophobicContact SD-CB 3.64Å; M361-E442 HydrophobicContact SD-CG 4.01Å; M361-I445 HydrophobicContact CE-CD1 4.24Å; M361-I445 HydrophobicContact CE-CG1 4.31Å; M361-I450 HydrophobicContact CG-CD1 3.61Å; M361-I450 HydrophobicContact SD-CD1 4.04Å
362	A	97.9	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.8	178.5	0	0	0	0	0	110.1	M216 F366 I439 H440 F441 E442	M216-A362 HydrophobicContact CB-CB 4.37Å; M216-A362 HydrophobicContact CE-CB 4.04Å; A362-F366 HydrophobicContact CB-CB 3.79Å; A362-F366 HydrophobicContact CB-CD2 4.23Å; A362-F366 HydrophobicContact CB-CG 4.04Å; A362-I439 HydrophobicContact CB-CG2 3.8Å; A362-H440 PolarHBondContact N-O 2.86Å; A362-F441 HydrophobicContact CB-CD1 3.78Å; A362-F441 HydrophobicContact CB-CE1 3.98Å; A362-F441 HydrophobicContact CB-CG 4.48Å; A362-F441 WeakPolarHBondContact O-CA 3.43Å; A362-E442 PolarHBondContact O-N 3.16Å
363	Y	96.5	Very high	96.2	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-173.5	-172.2	60.4	-90.6	0	0	0	112.4	V188 S215 M216 D217 M361 G365 F366 E442 I450	V188-Y363 HydrophobicContact CG2-CD1 4.46Å; V188-Y363 HydrophobicContact CG2-CE1 4.11Å; S215-Y363 WeakPolarHBondContact OG-CE1 3.25Å; S215-Y363 PolarHBondContact OG-OH 2.67Å; M216-Y363 WeakPolarHBondContact O-CD1 3.49Å; M216-Y363 WeakPolarHBondContact O-CE1 3.22Å; M216-Y363 PolarHBondContact O-N 3.4Å; D217-Y363 HydrophobicContact CB-CE2 3.7Å; D217-Y363 VanDerWaalsContact OD2-CE2 3.28Å; D217-Y363 WeakPolarHBondContact OD2-CE2 3.33Å; M361-Y363 HydrophobicContact CG-CD1 4.29Å; Y363-G365 PolarHBondContact O-N 3.15Å; Y363-F366 PolarHBondContact O-N 2.88Å; Y363-E442 WeakPolarHBondContact CA-O 3.39Å; Y363-E442 VanDerWaalsContact CB-O 3.23Å; Y363-E442 WeakPolarHBondContact CB-O 3.49Å; Y363-I450 HydrophobicContact CD1-CB 4.21Å; Y363-I450 HydrophobicContact CD1-CD1 4.36Å; Y363-I450 HydrophobicContact CD1-CG2 3.5Å; Y363-I450 HydrophobicContact CD2-CB 4.05Å; Y363-I450 HydrophobicContact CD2-CG2 3.83Å; Y363-I450 HydrophobicContact CE1-CG2 3.58Å; Y363-I450 HydrophobicContact CE2-CG2 3.92Å; Y363-I450 HydrophobicContact CG-CB 3.87Å; Y363-I450 HydrophobicContact CG-CD1 4.3Å; Y363-I450 HydrophobicContact CG-CG2 3.63Å
364	A	94.1	Very high	96.3	Very high	33 Å²	33	33.7 Å²	33.7	27%	0.273	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	-121.6	-174.8	0	0	0	0	0	112.1	D217 F366 F367 F368	D217-A364 VanDerWaalsContact OD1-CB 3.27Å; D217-A364 WeakPolarHBondContact OD1-CB 3.09Å; A364-F366 PolarHBondContact O-N 3.41Å; A364-F367 PolarHBondContact O-N 3.48Å; A364-F368 WeakPolarHBondContact O-CD2 3.41Å; A364-F368 PolarHBondContact O-N 3.26Å
365	G	95.9	Very high	96.4	Very high	13 Å²	13	34.2 Å²	34.2	13%	0.134	19%	0.188	C	C	.	.	H	α-helix	trans	-55.1	-38.3	-178.5	0	0	0	0	0	113.3	L218 Y363 F367 F368 I369	L218-G365 WeakPolarHBondContact O-CA 3.36Å; L218-G365 PolarHBondContact O-N 3.29Å; Y363-G365 PolarHBondContact O-N 3.15Å; G365-F367 PolarHBondContact O-N 2.82Å; G365-F368 PolarHBondContact O-N 2.97Å; G365-I369 VanDerWaalsContact O-CD1 3.27Å; G365-I369 WeakPolarHBondContact O-CD1 3.39Å; G365-I369 WeakPolarHBondContact O-CG1 3.47Å; G365-I369 PolarHBondContact O-N 3.43Å; G365-I369 VanDerWaalsContact O-N 3.11Å
366	F	98.1	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-51	178.3	-72	-66.1	0	0	0	111.5	M216 L218 A362 Y363 A364 F368 I369 A370 V421 L424 L425 Y429 F441	M216-F366 HydrophobicContact CB-CD2 4.17Å; M216-F366 HydrophobicContact CB-CE2 3.79Å; L218-F366 HydrophobicContact CB-CD1 4.41Å; L218-F366 HydrophobicContact CB-CD2 3.5Å; L218-F366 HydrophobicContact CB-CE1 4.47Å; L218-F366 HydrophobicContact CB-CE2 3.57Å; L218-F366 HydrophobicContact CB-CG 3.95Å; L218-F366 HydrophobicContact CB-CZ 4.07Å; L218-F366 HydrophobicContact CD2-CD1 4.26Å; L218-F366 HydrophobicContact CD2-CE1 4.34Å; L218-F366 HydrophobicContact CD2-CG 4.46Å; A362-F366 HydrophobicContact CB-CB 3.79Å; A362-F366 HydrophobicContact CB-CD2 4.23Å; A362-F366 HydrophobicContact CB-CG 4.04Å; Y363-F366 PolarHBondContact O-N 2.88Å; A364-F366 PolarHBondContact O-N 3.41Å; F366-F368 PolarHBondContact O-N 2.86Å; F366-I369 PolarHBondContact O-N 2.84Å; F366-A370 WeakPolarHBondContact O-CB 3.49Å; F366-A370 PolarHBondContact O-N 2.84Å; F366-V421 HydrophobicContact CD1-CB 4.41Å; F366-V421 HydrophobicContact CD1-CG1 3.83Å; F366-V421 HydrophobicContact CD1-CG2 3.77Å; F366-V421 HydrophobicContact CE1-CG1 4.16Å; F366-V421 HydrophobicContact CE1-CG2 4.07Å; F366-L424 HydrophobicContact CE1-CD2 3.99Å; F366-L424 HydrophobicContact CZ-CD2 3.7Å; F366-L425 HydrophobicContact CD1-CD1 4.44Å; F366-L425 HydrophobicContact CE1-CD1 4.34Å; F366-L425 HydrophobicContact CE1-CD2 3.86Å; F366-L425 HydrophobicContact CE1-CG 4.09Å; F366-L425 HydrophobicContact CZ-CD2 4.16Å; F366-Y429 HydrophobicContact CZ-CE2 4.42Å; F366-F441 HydrophobicContact CB-CD1 4.05Å; F366-F441 HydrophobicContact CB-CE1 4.24Å; F366-F441 HydrophobicContact CD1-CE1 4.48Å
367	F	97.1	Very high	96.1	Very high	22 Å²	22	33.9 Å²	33.9	10%	0.096	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-47.3	179	167.5	-99	0	0	0	112.6	A364 G365 I369 A370 R371 F441 Q443	A364-F367 PolarHBondContact O-N 3.48Å; G365-F367 PolarHBondContact O-N 2.82Å; F367-I369 VanDerWaalsContact C-N 3.31Å; F367-I369 PolarHBondContact O-N 3.46Å; F367-A370 PolarHBondContact O-N 3.08Å; F367-R371 HydrophobicContact CZ-CB 4.41Å; F367-R371 VanDerWaalsContact O-CB 3.24Å; F367-R371 WeakPolarHBondContact O-CB 3.26Å; F367-R371 PolarHBondContact O-N 3.1Å; F367-F441 WeakPolarHBondContact CD2-O 3.22Å; F367-Q443 HydrophobicContact CD1-CB 3.59Å; F367-Q443 HydrophobicContact CD1-CG 3.97Å; F367-Q443 HydrophobicContact CD2-CB 4.16Å; F367-Q443 HydrophobicContact CE1-CB 3.56Å; F367-Q443 HydrophobicContact CE1-CG 4.01Å; F367-Q443 HydrophobicContact CE2-CB 4.11Å; F367-Q443 HydrophobicContact CG-CB 3.89Å; F367-Q443 HydrophobicContact CZ-CB 3.81Å
368	F	96.3	Very high	96.1	Very high	73 Å²	73	35.4 Å²	35.4	32%	0.32	19%	0.19	S	C	.	.	H	α-helix	trans	-67.1	-33.6	-176.1	-71.5	-66.5	0	0	0	112.7	A364 G365 F366 A372	A364-F368 WeakPolarHBondContact O-CD2 3.41Å; A364-F368 PolarHBondContact O-N 3.26Å; G365-F368 PolarHBondContact O-N 2.97Å; F366-F368 PolarHBondContact O-N 2.86Å; F368-A372 PolarHBondContact O-N 3.31Å
369	I	97.8	Very high	96	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-70.2	-52.1	174.8	-65.5	161	0	0	0	109.4	L218 K260 G365 F366 F367 R371 A372 L373 A417 V421	L218-I369 HydrophobicContact CD2-CD1 3.84Å; K260-I369 HydrophobicContact CD-CD1 4.31Å; G365-I369 VanDerWaalsContact O-CD1 3.27Å; G365-I369 WeakPolarHBondContact O-CD1 3.39Å; G365-I369 WeakPolarHBondContact O-CG1 3.47Å; G365-I369 PolarHBondContact O-N 3.43Å; G365-I369 VanDerWaalsContact O-N 3.11Å; F366-I369 PolarHBondContact O-N 2.84Å; F367-I369 VanDerWaalsContact C-N 3.31Å; F367-I369 PolarHBondContact O-N 3.46Å; I369-R371 VanDerWaalsContact C-N 3.28Å; I369-R371 PolarHBondContact O-N 2.87Å; I369-A372 WeakPolarHBondContact O-CB 3.28Å; I369-A372 PolarHBondContact O-N 3.21Å; I369-L373 HydrophobicContact CG2-CD1 4.47Å; I369-L373 PolarHBondContact O-N 3.31Å; I369-A417 HydrophobicContact CD1-CB 3.69Å; I369-A417 HydrophobicContact CG1-CB 4Å; I369-V421 HydrophobicContact CB-CG2 4.37Å; I369-V421 HydrophobicContact CD1-CG2 3.55Å; I369-V421 HydrophobicContact CG2-CG2 4.13Å
370	A	98	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-40.2	178	0	0	0	0	0	112.2	F366 F367 A372 L373 E374 Q375 F384 F441	F366-A370 WeakPolarHBondContact O-CB 3.49Å; F366-A370 PolarHBondContact O-N 2.84Å; F367-A370 PolarHBondContact O-N 3.08Å; A370-A372 VanDerWaalsContact C-N 3.33Å; A370-A372 PolarHBondContact O-N 3.38Å; A370-L373 CarbonylContact O-C 3.59Å; A370-L373 PolarHBondContact O-N 2.93Å; A370-E374 PolarHBondContact O-N 3.12Å; A370-E374 VanDerWaalsContact O-N 3.1Å; A370-Q375 PolarHBondContact O-N 3.49Å; A370-F384 HydrophobicContact CB-CE2 4.23Å; A370-F441 HydrophobicContact CB-CB 3.7Å; A370-F441 HydrophobicContact CB-CD1 3.65Å; A370-F441 HydrophobicContact CB-CD2 4.24Å; A370-F441 HydrophobicContact CB-CE1 4.32Å; A370-F441 HydrophobicContact CB-CG 3.6Å
371	R	97.1	Very high	95.8	Very high	114 Å²	114	34.4 Å²	34.4	43%	0.43	18%	0.177	S	C	.	.	H	α-helix	trans	-61.9	-37.5	174.9	-179	178.1	174.7	-178.4	-0.1	112.7	F367 I369 L373 E374	F367-R371 HydrophobicContact CZ-CB 4.41Å; F367-R371 VanDerWaalsContact O-CB 3.24Å; F367-R371 WeakPolarHBondContact O-CB 3.26Å; F367-R371 PolarHBondContact O-N 3.1Å; I369-R371 VanDerWaalsContact C-N 3.28Å; I369-R371 PolarHBondContact O-N 2.87Å; R371-L373 VanDerWaalsContact C-N 3.29Å; R371-E374 PolarHBondContact O-N 3.06Å
372	A	96.9	Very high	95.8	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-67.3	-34.4	177.5	0	0	0	0	0	112.1	F368 I369 A370 E374 F391 K403 I406 Y414	F368-A372 PolarHBondContact O-N 3.31Å; I369-A372 WeakPolarHBondContact O-CB 3.28Å; I369-A372 PolarHBondContact O-N 3.21Å; A370-A372 VanDerWaalsContact C-N 3.33Å; A370-A372 PolarHBondContact O-N 3.38Å; A372-E374 PolarHBondContact O-N 3.32Å; A372-F391 HydrophobicContact CB-CE2 4.38Å; A372-K403 WeakPolarHBondContact O-CE 3.34Å; A372-K403 PolarHBondContact O-NZ 3.39Å; A372-I406 HydrophobicContact CB-CD1 3.81Å; A372-Y414 HydrophobicContact CB-CD2 3.41Å; A372-Y414 VanDerWaalsContact CB-CD2 3.41Å; A372-Y414 HydrophobicContact CB-CE2 3.63Å
373	L	97.4	Very high	95.7	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.3	173.6	-60.9	179.9	0	0	0	114.1	I369 A370 R371 Q375 F384 A387 V388 F391	I369-L373 HydrophobicContact CG2-CD1 4.47Å; I369-L373 PolarHBondContact O-N 3.31Å; A370-L373 CarbonylContact O-C 3.59Å; A370-L373 PolarHBondContact O-N 2.93Å; R371-L373 VanDerWaalsContact C-N 3.29Å; L373-Q375 HydrophobicContact CB-CB 4.33Å; L373-Q375 HydrophobicContact CB-CG 4.02Å; L373-Q375 PolarHBondContact O-N 3.38Å; L373-F384 HydrophobicContact CD1-CD1 4.41Å; L373-F384 HydrophobicContact CD1-CE1 3.8Å; L373-F384 HydrophobicContact CD1-CE2 4Å; L373-F384 HydrophobicContact CD1-CZ 3.57Å; L373-A387 HydrophobicContact CB-CB 4.15Å; L373-V388 HydrophobicContact CD1-CG2 3.99Å; L373-F391 HydrophobicContact CD2-CB 3.53Å; L373-F391 HydrophobicContact CD2-CD2 4.05Å; L373-F391 HydrophobicContact CD2-CG 3.78Å
374	E	96.1	Very high	95.8	Very high	140 Å²	140	44 Å²	44	65%	0.654	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	31.7	-173	-58.1	170.4	-157.6	0	0	113	A370 R371 A372 K403	A370-E374 PolarHBondContact O-N 3.12Å; A370-E374 VanDerWaalsContact O-N 3.1Å; R371-E374 PolarHBondContact O-N 3.06Å; A372-E374 PolarHBondContact O-N 3.32Å; E374-K403 IonicContact OE1-NZ 3.76Å; E374-K403 PolarHBondContact OE1-NZ 2.82Å
375	Q	96.3	Very high	96	Very high	34 Å²	34	46.2 Å²	46.2	16%	0.159	23%	0.233	C	C	.	.			trans	-116.3	28	179.8	-61.8	-58	-50.6	0	0	112.5	A370 L373 S379 F384 A387	A370-Q375 PolarHBondContact O-N 3.49Å; L373-Q375 HydrophobicContact CB-CB 4.33Å; L373-Q375 HydrophobicContact CB-CG 4.02Å; L373-Q375 PolarHBondContact O-N 3.38Å; Q375-S379 PolarHBondContact OE1-OG 3Å; Q375-F384 HydrophobicContact CB-CD2 3.81Å; Q375-F384 HydrophobicContact CB-CE2 4.13Å; Q375-F384 HydrophobicContact CG-CD2 4.06Å; Q375-A387 HydrophobicContact CG-CB 3.91Å
376	S	92.1	Very high	96	Very high	63 Å²	63	50.6 Å²	50.6	44%	0.441	25%	0.252	S	S	.	.			trans	-71.9	150.4	176.1	57.2	0	0	0	0	112.2
377	G	92.7	Very high	96	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-137.3	-172.8	0	0	0	0	0	111.2	F441	G377-F441 PolarHBondContact N-O 3.15Å; G377-F441 PolarHBondContact O-N 3.24Å
378	K	91.1	Very high	96.1	Very high	121 Å²	121	50.1 Å²	50.1	53%	0.526	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.2	172.2	-70.2	-163	172.1	-150.5	0	110.2	K437 H440	K378-K437 PolarHBondContact NZ-O 2.63Å; K378-H440 WeakPolarHBondContact CE-CE1 3.45Å; K378-H440 WeakPolarHBondContact CE-NE2 3.45Å
379	S	91.8	Very high	96.2	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	25%	0.245	C	C	.	.			trans	-138.9	170	177.7	179.2	0	0	0	0	109.6	Q375	Q375-S379 PolarHBondContact OE1-OG 3Å
380	D	93.8	Very high	96.2	Very high	37 Å²	37	52.3 Å²	52.3	20%	0.198	27%	0.271	C	S	.	.			trans	-113.1	147.3	174	176.5	-90.8	0	0	0	109.5	D382 Q383 F384 K437	D380-D382 VanDerWaalsContact C-N 3.35Å; D380-D382 PolarHBondContact O-N 3.08Å; D380-D382 WeakPolarHBondContact OD1-CB 3.27Å; D380-D382 PolarHBondContact OD1-N 2.96Å; D380-Q383 HydrophobicContact CB-CB 4.2Å; D380-Q383 HydrophobicContact CB-CG 4.09Å; D380-Q383 PolarHBondContact O-N 3.48Å; D380-Q383 PolarHBondContact OD1-N 2.92Å; D380-F384 WeakPolarHBondContact O-CB 3.15Å; D380-F384 PolarHBondContact O-N 3.41Å; D380-K437 WeakPolarHBondContact OD2-CE 3.34Å
381	L	97.3	Very high	96.2	Very high	26 Å²	26	53 Å²	53	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-42.3	-174.5	176.2	56.7	0	0	0	111.9	F384 N385 L422 A426 N433 W436	L381-F384 PolarHBondContact O-N 3.41Å; L381-N385 WeakPolarHBondContact O-CB 3.45Å; L381-N385 PolarHBondContact O-N 2.85Å; L381-L422 HydrophobicContact CD1-CD1 3.45Å; L381-L422 VanDerWaalsContact CD1-CD1 3.45Å; L381-A426 HydrophobicContact CD1-CB 4.24Å; L381-N433 WeakPolarHBondContact CB-OD1 3.49Å; L381-N433 WeakPolarHBondContact CD2-OD1 3.3Å; L381-W436 HydrophobicContact CB-CB 4.16Å; L381-W436 HydrophobicContact CB-CD2 3.96Å; L381-W436 HydrophobicContact CB-CE3 4.35Å; L381-W436 HydrophobicContact CB-CG 3.85Å; L381-W436 HydrophobicContact CD1-CD2 3.92Å; L381-W436 HydrophobicContact CD1-CE3 3.6Å; L381-W436 HydrophobicContact CD1-CH2 3.94Å; L381-W436 HydrophobicContact CD1-CZ2 4.26Å; L381-W436 HydrophobicContact CD1-CZ3 3.58Å; L381-W436 HydrophobicContact CG-CD2 4.48Å; L381-W436 HydrophobicContact CG-CE3 4.41Å; L381-W436 VanDerWaalsContact N-CD1 3.33Å
382	D	96.7	Very high	96.2	Very high	91 Å²	91	47.6 Å²	47.6	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-68.1	-42	-179.8	-69.6	-26.6	0	0	0	110.5	D380 N385 I386	D380-D382 VanDerWaalsContact C-N 3.35Å; D380-D382 PolarHBondContact O-N 3.08Å; D380-D382 WeakPolarHBondContact OD1-CB 3.27Å; D380-D382 PolarHBondContact OD1-N 2.96Å; D382-N385 PolarHBondContact O-N 2.89Å; D382-I386 VanDerWaalsContact O-CG1 3.29Å; D382-I386 WeakPolarHBondContact O-CG1 3.4Å; D382-I386 PolarHBondContact O-N 2.93Å
383	Q	96.4	Very high	96.2	Very high	114 Å²	114	52 Å²	52	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.9	-68.1	-172.3	-24.6	0	0	112.1	D380 I386 A387	D380-Q383 HydrophobicContact CB-CB 4.2Å; D380-Q383 HydrophobicContact CB-CG 4.09Å; D380-Q383 PolarHBondContact O-N 3.48Å; D380-Q383 PolarHBondContact OD1-N 2.92Å; Q383-I386 PolarHBondContact O-N 3.36Å; Q383-A387 WeakPolarHBondContact O-CB 3.22Å; Q383-A387 PolarHBondContact O-N 3.34Å
384	F	98.1	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-46.4	176.5	-163.8	-81.7	0	0	0	110.6	A370 L373 Q375 D380 L381 I386 A387 V388 V421 L422 W436 F441	A370-F384 HydrophobicContact CB-CE2 4.23Å; L373-F384 HydrophobicContact CD1-CD1 4.41Å; L373-F384 HydrophobicContact CD1-CE1 3.8Å; L373-F384 HydrophobicContact CD1-CE2 4Å; L373-F384 HydrophobicContact CD1-CZ 3.57Å; Q375-F384 HydrophobicContact CB-CD2 3.81Å; Q375-F384 HydrophobicContact CB-CE2 4.13Å; Q375-F384 HydrophobicContact CG-CD2 4.06Å; D380-F384 WeakPolarHBondContact O-CB 3.15Å; D380-F384 PolarHBondContact O-N 3.41Å; L381-F384 PolarHBondContact O-N 3.41Å; F384-I386 PolarHBondContact O-N 3.44Å; F384-A387 WeakPolarHBondContact O-CB 3.37Å; F384-A387 PolarHBondContact O-N 3.39Å; F384-V388 HydrophobicContact CD1-CG2 3.82Å; F384-V388 HydrophobicContact CE1-CG2 3.8Å; F384-V388 VanDerWaalsContact O-CG2 3.25Å; F384-V388 WeakPolarHBondContact O-CG2 3.24Å; F384-V388 PolarHBondContact O-N 3.28Å; F384-V421 HydrophobicContact CE1-CG1 4.16Å; F384-V421 HydrophobicContact CZ-CB 4.4Å; F384-V421 HydrophobicContact CZ-CG1 3.72Å; F384-L422 HydrophobicContact CD1-CB 4.35Å; F384-L422 HydrophobicContact CD1-CD1 4.16Å; F384-L422 HydrophobicContact CE1-CB 4.23Å; F384-W436 HydrophobicContact CB-CZ2 3.81Å; F384-W436 HydrophobicContact CD1-CH2 4.25Å; F384-W436 AromaticContact CD1-CZ2 3.94Å; F384-W436 HydrophobicContact CD1-CZ2 3.94Å; F384-W436 AromaticContact CD2-CZ2 3.85Å; F384-W436 HydrophobicContact CD2-CZ2 3.85Å; F384-W436 HydrophobicContact CE1-CZ2 4.48Å; F384-W436 HydrophobicContact CE2-CZ2 4.4Å; F384-W436 HydrophobicContact CG-CH2 4.35Å; F384-W436 AromaticContact CG-CZ2 3.6Å; F384-W436 HydrophobicContact CG-CZ2 3.6Å; F384-F441 HydrophobicContact CE2-CE2 4.33Å; F384-F441 HydrophobicContact CE2-CZ 4.09Å
385	N	97.9	Very high	96.2	Very high	81 Å²	81	49.8 Å²	49.8	43%	0.433	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-44.7	177.5	-173.5	32	0	0	0	112.5	L381 D382 A387 V388 G389 L422	L381-N385 WeakPolarHBondContact O-CB 3.45Å; L381-N385 PolarHBondContact O-N 2.85Å; D382-N385 PolarHBondContact O-N 2.89Å; N385-A387 VanDerWaalsContact C-N 3.33Å; N385-A387 PolarHBondContact O-N 3.33Å; N385-V388 WeakPolarHBondContact O-CB 3.25Å; N385-V388 PolarHBondContact O-N 3.2Å; N385-G389 PolarHBondContact O-N 3.11Å; N385-L422 HydrophobicContact CB-CD2 4.12Å; N385-L422 VanDerWaalsContact OD1-CD2 3.31Å; N385-L422 WeakPolarHBondContact OD1-CD2 3.03Å
386	I	97.6	Very high	96.3	Very high	105 Å²	105	49.2 Å²	49.2	54%	0.538	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-44.3	174.1	-69.3	164.7	0	0	0	110.7	D382 Q383 F384 V388 G389 N390	D382-I386 VanDerWaalsContact O-CG1 3.29Å; D382-I386 WeakPolarHBondContact O-CG1 3.4Å; D382-I386 PolarHBondContact O-N 2.93Å; Q383-I386 PolarHBondContact O-N 3.36Å; F384-I386 PolarHBondContact O-N 3.44Å; I386-V388 VanDerWaalsContact C-N 3.32Å; I386-V388 PolarHBondContact O-N 2.89Å; I386-G389 PolarHBondContact O-N 3.41Å; I386-N390 PolarHBondContact O-N 2.81Å
387	A	98.3	Very high	96.6	Very high	12 Å²	12	49.4 Å²	49.4	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-38.7	178.2	0	0	0	0	0	112	L373 Q375 Q383 F384 N385 N390 F391	L373-A387 HydrophobicContact CB-CB 4.15Å; Q375-A387 HydrophobicContact CG-CB 3.91Å; Q383-A387 WeakPolarHBondContact O-CB 3.22Å; Q383-A387 PolarHBondContact O-N 3.34Å; F384-A387 WeakPolarHBondContact O-CB 3.37Å; F384-A387 PolarHBondContact O-N 3.39Å; N385-A387 VanDerWaalsContact C-N 3.33Å; N385-A387 PolarHBondContact O-N 3.33Å; A387-N390 PolarHBondContact O-N 3.3Å; A387-F391 WeakPolarHBondContact O-CB 3.27Å; A387-F391 PolarHBondContact O-N 3.18Å
388	V	98.6	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-50.5	172.5	177.9	0	0	0	0	110.5	L373 F384 N385 I386 N390 F391 C392 L422	L373-V388 HydrophobicContact CD1-CG2 3.99Å; F384-V388 HydrophobicContact CD1-CG2 3.82Å; F384-V388 HydrophobicContact CE1-CG2 3.8Å; F384-V388 VanDerWaalsContact O-CG2 3.25Å; F384-V388 WeakPolarHBondContact O-CG2 3.24Å; F384-V388 PolarHBondContact O-N 3.28Å; N385-V388 WeakPolarHBondContact O-CB 3.25Å; N385-V388 PolarHBondContact O-N 3.2Å; I386-V388 VanDerWaalsContact C-N 3.32Å; I386-V388 PolarHBondContact O-N 2.89Å; V388-N390 PolarHBondContact O-N 3.32Å; V388-F391 PolarHBondContact O-N 3.41Å; V388-C392 WeakPolarHBondContact O-CB 3.42Å; V388-C392 PolarHBondContact O-N 2.99Å; V388-L422 HydrophobicContact CG2-CD2 4.38Å
389	G	97.8	Very high	97.1	Very high	17 Å²	17	46.8 Å²	46.8	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-48.4	179.2	0	0	0	0	0	112.9	N385 I386 F391 C392 N393	N385-G389 PolarHBondContact O-N 3.11Å; I386-G389 PolarHBondContact O-N 3.41Å; G389-F391 PolarHBondContact O-N 3.39Å; G389-C392 PolarHBondContact O-N 2.95Å; G389-N393 WeakPolarHBondContact O-CB 3.45Å; G389-N393 VanDerWaalsContact O-CG 3.26Å; G389-N393 PolarHBondContact O-N 3.48Å; G389-N393 VanDerWaalsContact O-N 3.08Å; G389-N393 PolarHBondContact O-ND2 3.44Å; G389-N393 VanDerWaalsContact O-ND2 3.15Å
390	N	97.4	Very high	97.3	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-60.6	-46.2	178.4	-70	-18.1	0	0	0	111.9	I386 A387 V388 N393 T394	I386-N390 PolarHBondContact O-N 2.81Å; A387-N390 PolarHBondContact O-N 3.3Å; V388-N390 PolarHBondContact O-N 3.32Å; N390-N393 PolarHBondContact O-N 3.35Å; N390-T394 PolarHBondContact O-N 3.25Å; N390-T394 PolarHBondContact O-OG1 3.21Å
391	F	98	Very high	97.5	Very high	14 Å²	14	55 Å²	55	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-47.6	178.4	-174.3	-82.9	0	0	0	112	A372 L373 A387 V388 G389 N393 T394 L399 L411 Y414 C415	A372-F391 HydrophobicContact CB-CE2 4.38Å; L373-F391 HydrophobicContact CD2-CB 3.53Å; L373-F391 HydrophobicContact CD2-CD2 4.05Å; L373-F391 HydrophobicContact CD2-CG 3.78Å; A387-F391 WeakPolarHBondContact O-CB 3.27Å; A387-F391 PolarHBondContact O-N 3.18Å; V388-F391 PolarHBondContact O-N 3.41Å; G389-F391 PolarHBondContact O-N 3.39Å; F391-N393 VanDerWaalsContact C-N 3.3Å; F391-N393 PolarHBondContact O-N 2.91Å; F391-T394 PolarHBondContact O-N 3.07Å; F391-L399 HydrophobicContact CD2-CD2 3.99Å; F391-L399 HydrophobicContact CE1-CD1 4.49Å; F391-L399 HydrophobicContact CE1-CD2 4.39Å; F391-L399 HydrophobicContact CE2-CD2 3.7Å; F391-L399 HydrophobicContact CG-CD2 4.46Å; F391-L399 HydrophobicContact CZ-CD1 4.48Å; F391-L399 HydrophobicContact CZ-CD2 3.91Å; F391-L411 HydrophobicContact CE2-CD1 4.48Å; F391-L411 HydrophobicContact CZ-CD1 3.98Å; F391-Y414 HydrophobicContact CZ-CD2 4.48Å; F391-C415 HydrophobicContact CD1-CB 4.35Å; F391-C415 HydrophobicContact CE1-CB 4.46Å
392	C	98	Very high	97.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-29.8	-177.8	-80.4	0	0	0	0	113.9	S325 V388 G389 T394 C415	S325-C392 WeakPolarHBondContact OG-CB 3.29Å; V388-C392 WeakPolarHBondContact O-CB 3.42Å; V388-C392 PolarHBondContact O-N 2.99Å; G389-C392 PolarHBondContact O-N 2.95Å; C392-T394 VanDerWaalsContact C-N 3.33Å; C392-C415 HydrophobicContact CB-CB 3.99Å; C392-C415 WeakPolarHBondContact CB-SG 3.37Å; C392-C415 WeakPolarHBondContact SG-CA 3.35Å; C392-C415 WeakPolarHBondContact SG-CB 3.5Å; C392-C415 CovalentContact SG-SG 2.04Å; C392-C415 PolarHBondContact SG-SG 2.93Å
393	N	96.4	Very high	97.4	Very high	93 Å²	93	53.5 Å²	53.5	50%	0.497	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.5	179.5	-67.5	-25.6	0	0	0	113.4	G389 N390 F391	G389-N393 WeakPolarHBondContact O-CB 3.45Å; G389-N393 VanDerWaalsContact O-CG 3.26Å; G389-N393 PolarHBondContact O-N 3.48Å; G389-N393 VanDerWaalsContact O-N 3.08Å; G389-N393 PolarHBondContact O-ND2 3.44Å; G389-N393 VanDerWaalsContact O-ND2 3.15Å; N390-N393 PolarHBondContact O-N 3.35Å; F391-N393 VanDerWaalsContact C-N 3.3Å; F391-N393 PolarHBondContact O-N 2.91Å
394	T	96.5	Very high	97.4	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.178	29%	0.29	C	S	.	.	S	Bend	trans	-87.1	133.8	-178.9	-58.3	0	0	0	0	110.9	P287 N390 F391 C392 E398 L399	P287-T394 WeakPolarHBondContact CB-O 3.09Å; N390-T394 PolarHBondContact O-N 3.25Å; N390-T394 PolarHBondContact O-OG1 3.21Å; F391-T394 PolarHBondContact O-N 3.07Å; C392-T394 VanDerWaalsContact C-N 3.33Å; T394-E398 HydrophobicContact CG2-CB 3.8Å; T394-E398 HydrophobicContact CG2-CG 3.69Å; T394-L399 HydrophobicContact CG2-CD2 3.87Å; T394-L399 HydrophobicContact CG2-CG 3.77Å
395	D	97.3	Very high	97.3	Very high	76 Å²	76	59.4 Å²	59.4	41%	0.406	32%	0.315	S	S	.	.			trans	-63.5	150.2	179.5	-78.6	6.8	0	0	0	112.4	K288 A397 E398 L399	K288-D395 WeakPolarHBondContact CB-OD1 3.43Å; D395-A397 VanDerWaalsContact C-N 3.29Å; D395-A397 PolarHBondContact O-N 3.41Å; D395-E398 PolarHBondContact O-N 3.18Å; D395-E398 VanDerWaalsContact O-N 3.1Å; D395-L399 PolarHBondContact O-N 3Å
396	W	98.1	Very high	97.1	Very high	23 Å²	23	56.3 Å²	56.3	9%	0.087	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-38.6	-176.4	179.1	-122.7	0	0	0	113.9	P287 K288 F290 K400 D408 L411 K412	P287-W396 HydrophobicContact CB-CB 4.4Å; P287-W396 HydrophobicContact CG-CB 4.21Å; P287-W396 HydrophobicContact CG-CD2 4.31Å; P287-W396 HydrophobicContact CG-CE3 3.5Å; P287-W396 HydrophobicContact CG-CZ3 4.19Å; K288-W396 WeakPolarHBondContact O-CB 3.41Å; K288-W396 PolarHBondContact O-N 2.8Å; F290-W396 HydrophobicContact CB-CB 4.13Å; F290-W396 HydrophobicContact CB-CD2 4.15Å; F290-W396 HydrophobicContact CB-CE3 4.48Å; F290-W396 HydrophobicContact CB-CG 3.98Å; F290-W396 AromaticContact CD2-CD2 3.82Å; F290-W396 HydrophobicContact CD2-CD2 3.82Å; F290-W396 AromaticContact CD2-CE2 3.56Å; F290-W396 HydrophobicContact CD2-CE3 4.22Å; F290-W396 HydrophobicContact CD2-CG 4.26Å; F290-W396 HydrophobicContact CD2-CH2 4.1Å; F290-W396 AromaticContact CD2-CZ2 3.73Å; F290-W396 HydrophobicContact CD2-CZ2 3.73Å; F290-W396 HydrophobicContact CD2-CZ3 4.33Å; F290-W396 AromaticContact CD2-NE1 3.86Å; F290-W396 HydrophobicContact CE2-CH2 4.22Å; F290-W396 AromaticContact CE2-CZ2 3.93Å; F290-W396 HydrophobicContact CE2-CZ2 3.93Å; F290-W396 HydrophobicContact CG-CD2 4.38Å; W396-K400 HydrophobicContact CD2-CD 4.48Å; W396-K400 HydrophobicContact CD2-CG 4.39Å; W396-K400 HydrophobicContact CZ2-CD 3.99Å; W396-K400 HydrophobicContact CZ2-CG 4.21Å; W396-K400 WeakPolarHBondContact O-CG 3.42Å; W396-K400 PolarHBondContact O-N 3.24Å; W396-D408 HydrophobicContact CH2-CB 4.04Å; W396-D408 HydrophobicContact CZ2-CB 3.88Å; W396-L411 HydrophobicContact CE3-CD2 4.37Å; W396-L411 HydrophobicContact CH2-CB 4.01Å; W396-L411 HydrophobicContact CH2-CD2 3.94Å; W396-L411 HydrophobicContact CH2-CG 4.1Å; W396-L411 HydrophobicContact CZ3-CB 3.98Å; W396-L411 HydrophobicContact CZ3-CD2 3.7Å; W396-L411 HydrophobicContact CZ3-CG 3.66Å; W396-K412 HydrophobicContact CH2-CB 4.15Å; W396-K412 HydrophobicContact CZ3-CB 4.2Å
397	A	97.9	Very high	97.1	Very high	67 Å²	67	54.6 Å²	54.6	55%	0.554	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-42.8	178.7	0	0	0	0	0	111.5	D395 K400 L401	D395-A397 VanDerWaalsContact C-N 3.29Å; D395-A397 PolarHBondContact O-N 3.41Å; A397-K400 PolarHBondContact O-N 3.28Å; A397-L401 WeakPolarHBondContact O-CG 3.32Å; A397-L401 PolarHBondContact O-N 3.41Å
398	E	97.6	Very high	96.9	Very high	84 Å²	84	58 Å²	58	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-70.6	-42.9	-179.9	-176.8	60.3	-159.9	0	0	111.3	T394 D395 K400 L401 Q402	T394-E398 HydrophobicContact CG2-CB 3.8Å; T394-E398 HydrophobicContact CG2-CG 3.69Å; D395-E398 PolarHBondContact O-N 3.18Å; D395-E398 VanDerWaalsContact O-N 3.1Å; E398-K400 PolarHBondContact O-N 3.27Å; E398-L401 WeakPolarHBondContact O-CB 3.47Å; E398-L401 PolarHBondContact O-N 2.83Å; E398-Q402 HydrophobicContact CG-CG 4.23Å; E398-Q402 WeakPolarHBondContact O-CG 2.94Å; E398-Q402 PolarHBondContact O-N 3.38Å; E398-Q402 WeakPolarHBondContact OE1-CG 3.15Å; E398-Q402 PolarHBondContact OE1-NE2 3.44Å
399	L	97.2	Very high	96.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-55.4	-40.1	175	-77.6	175.8	0	0	0	112.4	P287 F391 T394 D395 L401 Q402 K403 L411	P287-L399 HydrophobicContact CB-CD1 3.73Å; P287-L399 HydrophobicContact CG-CD1 3.97Å; F391-L399 HydrophobicContact CD2-CD2 3.99Å; F391-L399 HydrophobicContact CE1-CD1 4.49Å; F391-L399 HydrophobicContact CE1-CD2 4.39Å; F391-L399 HydrophobicContact CE2-CD2 3.7Å; F391-L399 HydrophobicContact CG-CD2 4.46Å; F391-L399 HydrophobicContact CZ-CD1 4.48Å; F391-L399 HydrophobicContact CZ-CD2 3.91Å; T394-L399 HydrophobicContact CG2-CD2 3.87Å; T394-L399 HydrophobicContact CG2-CG 3.77Å; D395-L399 PolarHBondContact O-N 3Å; L399-L401 VanDerWaalsContact C-N 3.35Å; L399-Q402 PolarHBondContact O-N 2.96Å; L399-K403 WeakPolarHBondContact O-CB 3.18Å; L399-K403 PolarHBondContact O-N 2.97Å; L399-L411 HydrophobicContact CB-CD2 4.16Å
400	K	97.3	Very high	96.5	Very high	86 Å²	86	65.4 Å²	65.4	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-67.5	-34.3	177	-73.2	-170.8	-62.4	173.3	0	113	W396 A397 E398 L411	W396-K400 HydrophobicContact CD2-CD 4.48Å; W396-K400 HydrophobicContact CD2-CG 4.39Å; W396-K400 HydrophobicContact CZ2-CD 3.99Å; W396-K400 HydrophobicContact CZ2-CG 4.21Å; W396-K400 WeakPolarHBondContact O-CG 3.42Å; W396-K400 PolarHBondContact O-N 3.24Å; A397-K400 PolarHBondContact O-N 3.28Å; E398-K400 PolarHBondContact O-N 3.27Å; K400-L411 HydrophobicContact CG-CD2 3.95Å
401	L	97	Very high	96.5	Very high	130 Å²	130	60.6 Å²	60.6	68%	0.681	33%	0.325	S	S	*	.	H	α-helix	trans	-72.2	-41.9	176.1	-69.2	174.1	0	0	0	111.6	A397 E398 L399 P404	A397-L401 WeakPolarHBondContact O-CG 3.32Å; A397-L401 PolarHBondContact O-N 3.41Å; E398-L401 WeakPolarHBondContact O-CB 3.47Å; E398-L401 PolarHBondContact O-N 2.83Å; L399-L401 VanDerWaalsContact C-N 3.35Å; L401-P404 WeakPolarHBondContact O-CD 3.32Å
402	Q	96.3	Very high	96.4	Very high	82 Å²	82	61.5 Å²	61.5	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-74.2	-32.4	-179.6	-67.9	-177.9	2.3	0	0	112.7	E398 L399 P404 W405	E398-Q402 HydrophobicContact CG-CG 4.23Å; E398-Q402 WeakPolarHBondContact O-CG 2.94Å; E398-Q402 PolarHBondContact O-N 3.38Å; E398-Q402 WeakPolarHBondContact OE1-CG 3.15Å; E398-Q402 PolarHBondContact OE1-NE2 3.44Å; L399-Q402 PolarHBondContact O-N 2.96Å; Q402-P404 WeakPolarHBondContact O-CD 3.29Å; Q402-W405 WeakPolarHBondContact O-CH2 3.34Å; Q402-W405 WeakPolarHBondContact O-CZ3 3.36Å
403	K	96.3	Very high	96.3	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	33%	0.33	C	S	.	.			trans	-125	50.3	-171.8	-46.9	-65.1	170	173.5	0	113.6	A372 E374 L399 W405 I406 L411	A372-K403 WeakPolarHBondContact O-CE 3.34Å; A372-K403 PolarHBondContact O-NZ 3.39Å; E374-K403 IonicContact OE1-NZ 3.76Å; E374-K403 PolarHBondContact OE1-NZ 2.82Å; L399-K403 WeakPolarHBondContact O-CB 3.18Å; L399-K403 PolarHBondContact O-N 2.97Å; K403-W405 HydrophobicContact CB-CZ2 4.3Å; K403-W405 HydrophobicContact CD-CH2 3.62Å; K403-W405 HydrophobicContact CD-CZ2 3.39Å; K403-W405 HydrophobicContact CG-CZ2 4.43Å; K403-W405 PolarHBondContact O-N 3.48Å; K403-I406 HydrophobicContact CB-CD1 3.91Å; K403-I406 HydrophobicContact CB-CG1 4.23Å; K403-I406 HydrophobicContact CG-CD1 4.45Å; K403-I406 PolarHBondContact O-N 3.1Å; K403-L411 HydrophobicContact CB-CD1 4.11Å; K403-L411 HydrophobicContact CG-CD1 4.45Å
404	P	95.7	Very high	96.4	Very high	97 Å²	97	58.1 Å²	58.1	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.7	-174.4	27.6	-37.3	0	0	0	114.2	L401 Q402 I406	L401-P404 WeakPolarHBondContact O-CD 3.32Å; Q402-P404 WeakPolarHBondContact O-CD 3.29Å; P404-I406 VanDerWaalsContact C-N 3.29Å
405	W	95.2	Very high	96.5	Very high	140 Å²	140	57 Å²	57	53%	0.53	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4.8	176.3	61.4	85.8	0	0	0	113.8	Q402 K403	Q402-W405 WeakPolarHBondContact O-CH2 3.34Å; Q402-W405 WeakPolarHBondContact O-CZ3 3.36Å; K403-W405 HydrophobicContact CB-CZ2 4.3Å; K403-W405 HydrophobicContact CD-CH2 3.62Å; K403-W405 HydrophobicContact CD-CZ2 3.39Å; K403-W405 HydrophobicContact CG-CZ2 4.43Å; K403-W405 PolarHBondContact O-N 3.48Å
406	I	95.8	Very high	96.5	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.087	28%	0.284	C	S	.	.	S	Bend	trans	-107.3	124.8	178	-49.7	179.6	0	0	0	107.8	A372 K403 P404 L411 Y414	A372-I406 HydrophobicContact CB-CD1 3.81Å; K403-I406 HydrophobicContact CB-CD1 3.91Å; K403-I406 HydrophobicContact CB-CG1 4.23Å; K403-I406 HydrophobicContact CG-CD1 4.45Å; K403-I406 PolarHBondContact O-N 3.1Å; P404-I406 VanDerWaalsContact C-N 3.29Å; I406-L411 HydrophobicContact CB-CB 4.39Å; I406-L411 HydrophobicContact CB-CD1 4.34Å; I406-L411 HydrophobicContact CD1-CD1 4.2Å; I406-L411 HydrophobicContact CG2-CB 3.88Å; I406-L411 HydrophobicContact CG2-CD1 4.34Å; I406-Y414 HydrophobicContact CD1-CD2 4.07Å; I406-Y414 HydrophobicContact CD1-CE2 3.75Å; I406-Y414 HydrophobicContact CG2-CE2 4.12Å
407	S	95.6	Very high	96.6	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	28%	0.28	S	S	.	.			trans	-69.4	148.8	175.8	68.9	0	0	0	0	111.4	G409 Y410 L411	S407-G409 PolarHBondContact O-N 3.46Å; S407-Y410 PolarHBondContact O-N 3.2Å; S407-Y410 VanDerWaalsContact OG-CD2 3.28Å; S407-Y410 WeakPolarHBondContact OG-CD2 3.46Å; S407-L411 PolarHBondContact O-N 3Å
408	D	95.4	Very high	96.6	Very high	84 Å²	84	49.1 Å²	49.1	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-50.3	-38.2	-177.4	-67.9	23	0	0	0	113.2	W396 Y410 L411 K412	W396-D408 HydrophobicContact CH2-CB 4.04Å; W396-D408 HydrophobicContact CZ2-CB 3.88Å; D408-Y410 VanDerWaalsContact C-N 3.29Å; D408-Y410 PolarHBondContact O-N 3.2Å; D408-L411 PolarHBondContact O-N 3Å; D408-K412 WeakPolarHBondContact O-CB 3.25Å; D408-K412 WeakPolarHBondContact O-CG 3.47Å; D408-K412 PolarHBondContact O-N 3.3Å
409	G	92.6	Very high	96.7	Very high	48 Å²	48	45.9 Å²	45.9	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-33.6	178.2	0	0	0	0	0	114	S407	S407-G409 PolarHBondContact O-N 3.46Å
410	Y	94.7	Very high	96.7	Very high	123 Å²	123	45.8 Å²	45.8	48%	0.482	24%	0.237	S	C	.	.	H	α-helix	trans	-84.7	-48	172	-70.7	-69.4	0	0	0	111	S407 D408 K412 T413 Y414	S407-Y410 PolarHBondContact O-N 3.2Å; S407-Y410 VanDerWaalsContact OG-CD2 3.28Å; S407-Y410 WeakPolarHBondContact OG-CD2 3.46Å; D408-Y410 VanDerWaalsContact C-N 3.29Å; D408-Y410 PolarHBondContact O-N 3.2Å; Y410-K412 VanDerWaalsContact C-N 3.27Å; Y410-K412 PolarHBondContact O-N 3.48Å; Y410-T413 PolarHBondContact O-N 2.87Å; Y410-T413 PolarHBondContact O-OG1 2.6Å; Y410-Y414 WeakPolarHBondContact O-CD1 3.34Å; Y410-Y414 WeakPolarHBondContact O-CE1 3.38Å
411	L	97.1	Very high	96.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-42	-173.2	-173.5	63.7	0	0	0	112.2	F391 W396 L399 K400 K403 I406 S407 D408 T413 Y414	F391-L411 HydrophobicContact CE2-CD1 4.48Å; F391-L411 HydrophobicContact CZ-CD1 3.98Å; W396-L411 HydrophobicContact CE3-CD2 4.37Å; W396-L411 HydrophobicContact CH2-CB 4.01Å; W396-L411 HydrophobicContact CH2-CD2 3.94Å; W396-L411 HydrophobicContact CH2-CG 4.1Å; W396-L411 HydrophobicContact CZ3-CB 3.98Å; W396-L411 HydrophobicContact CZ3-CD2 3.7Å; W396-L411 HydrophobicContact CZ3-CG 3.66Å; L399-L411 HydrophobicContact CB-CD2 4.16Å; K400-L411 HydrophobicContact CG-CD2 3.95Å; K403-L411 HydrophobicContact CB-CD1 4.11Å; K403-L411 HydrophobicContact CG-CD1 4.45Å; I406-L411 HydrophobicContact CB-CB 4.39Å; I406-L411 HydrophobicContact CB-CD1 4.34Å; I406-L411 HydrophobicContact CD1-CD1 4.2Å; I406-L411 HydrophobicContact CG2-CB 3.88Å; I406-L411 HydrophobicContact CG2-CD1 4.34Å; S407-L411 PolarHBondContact O-N 3Å; D408-L411 PolarHBondContact O-N 3Å; L411-T413 PolarHBondContact O-N 2.8Å; L411-Y414 PolarHBondContact O-N 2.94Å; L411-Y414 VanDerWaalsContact O-N 3.12Å
412	K	95.9	Very high	96.9	Very high	33 Å²	33	36.4 Å²	36.4	14%	0.143	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.7	178.5	73.4	176.8	-173.8	125.4	0	114.2	Y286 F290 I292 W396 D408 Y410	Y286-K412 VanDerWaalsContact CD1-O 3.25Å; Y286-K412 WeakPolarHBondContact CD1-O 3.45Å; Y286-K412 HydrophobicContact CE1-CG 4.49Å; Y286-K412 WeakPolarHBondContact CE1-O 3.42Å; Y286-K412 PolarHBondContact OH-NZ 3.44Å; F290-K412 HydrophobicContact CD1-CB 4.44Å; F290-K412 HydrophobicContact CD2-CB 4.47Å; F290-K412 HydrophobicContact CE1-CB 3.94Å; F290-K412 HydrophobicContact CE1-CD 3.92Å; F290-K412 HydrophobicContact CE2-CB 3.98Å; F290-K412 HydrophobicContact CE2-CD 4.27Å; F290-K412 HydrophobicContact CZ-CB 3.71Å; F290-K412 HydrophobicContact CZ-CD 3.43Å; F290-K412 VanDerWaalsContact CZ-CD 3.43Å; F290-K412 HydrophobicContact CZ-CG 4.18Å; I292-K412 HydrophobicContact CD1-CD 4.45Å; W396-K412 HydrophobicContact CH2-CB 4.15Å; W396-K412 HydrophobicContact CZ3-CB 4.2Å; D408-K412 WeakPolarHBondContact O-CB 3.25Å; D408-K412 WeakPolarHBondContact O-CG 3.47Å; D408-K412 PolarHBondContact O-N 3.3Å; Y410-K412 VanDerWaalsContact C-N 3.27Å; Y410-K412 PolarHBondContact O-N 3.48Å
413	T	96.7	Very high	97	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.037	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.7	-176.1	66.2	0	0	0	0	113	K260 Y410 L411 C415 F416 A417	K260-T413 PolarHBondContact NZ-OG1 2.97Å; Y410-T413 PolarHBondContact O-N 2.87Å; Y410-T413 PolarHBondContact O-OG1 2.6Å; L411-T413 PolarHBondContact O-N 2.8Å; T413-C415 PolarHBondContact O-N 2.78Å; T413-F416 WeakPolarHBondContact O-CD1 3.37Å; T413-A417 VanDerWaalsContact O-CB 3.3Å; T413-A417 WeakPolarHBondContact O-CB 3.33Å; T413-A417 PolarHBondContact O-N 3.24Å
414	Y	97.9	Very high	97.1	Very high	17 Å²	17	32.7 Å²	32.7	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-76.7	-23.8	-167.3	-84.5	22.8	0	0	0	113.5	A372 F391 I406 Y410 L411 A417 S418	A372-Y414 HydrophobicContact CB-CD2 3.41Å; A372-Y414 VanDerWaalsContact CB-CD2 3.41Å; A372-Y414 HydrophobicContact CB-CE2 3.63Å; F391-Y414 HydrophobicContact CZ-CD2 4.48Å; I406-Y414 HydrophobicContact CD1-CD2 4.07Å; I406-Y414 HydrophobicContact CD1-CE2 3.75Å; I406-Y414 HydrophobicContact CG2-CE2 4.12Å; Y410-Y414 WeakPolarHBondContact O-CD1 3.34Å; Y410-Y414 WeakPolarHBondContact O-CE1 3.38Å; L411-Y414 PolarHBondContact O-N 2.94Å; L411-Y414 VanDerWaalsContact O-N 3.12Å; Y414-A417 PolarHBondContact O-N 2.91Å; Y414-S418 VanDerWaalsContact O-CB 3.26Å; Y414-S418 WeakPolarHBondContact O-CB 3.44Å; Y414-S418 PolarHBondContact O-N 3.21Å; Y414-S418 PolarHBondContact O-OG 3.04Å
415	C	98.5	Very high	97.3	Very high	5 Å²	5	28 Å²	28	3%	0.034	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-54.2	172.5	169.7	0	0	0	0	111.2	C285 F391 C392 T413 A417 S418 H419	C285-C415 WeakPolarHBondContact O-CB 3.29Å; F391-C415 HydrophobicContact CD1-CB 4.35Å; F391-C415 HydrophobicContact CE1-CB 4.46Å; C392-C415 HydrophobicContact CB-CB 3.99Å; C392-C415 WeakPolarHBondContact CB-SG 3.37Å; C392-C415 WeakPolarHBondContact SG-CA 3.35Å; C392-C415 WeakPolarHBondContact SG-CB 3.5Å; C392-C415 CovalentContact SG-SG 2.04Å; C392-C415 PolarHBondContact SG-SG 2.93Å; T413-C415 PolarHBondContact O-N 2.78Å; C415-A417 VanDerWaalsContact C-N 3.28Å; C415-A417 PolarHBondContact O-N 3.09Å; C415-S418 PolarHBondContact O-N 3.03Å; C415-H419 PolarHBondContact O-N 3.19Å
416	F	98.5	Very high	97.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-53.7	-47.2	171.7	126	-102.7	0	0	0	111	K260 A263 D264 V267 C285 V332 T413 S418 H419 Y420	K260-F416 HydrophobicContact CG-CE1 4.24Å; K260-F416 HydrophobicContact CG-CZ 4.21Å; K260-F416 VanDerWaalsContact O-CZ 3.31Å; K260-F416 WeakPolarHBondContact O-CZ 3.39Å; A263-F416 HydrophobicContact CB-CE2 4.13Å; A263-F416 HydrophobicContact CB-CZ 4.18Å; D264-F416 HydrophobicContact CB-CD1 4.09Å; D264-F416 HydrophobicContact CB-CE1 3.41Å; D264-F416 VanDerWaalsContact CB-CE1 3.41Å; D264-F416 HydrophobicContact CB-CZ 3.7Å; D264-F416 VanDerWaalsContact OD1-CD1 3.27Å; D264-F416 WeakPolarHBondContact OD1-CD1 3.44Å; D264-F416 WeakPolarHBondContact OD1-CE1 3.49Å; V267-F416 HydrophobicContact CB-CD2 4.42Å; V267-F416 HydrophobicContact CG2-CD2 3.86Å; V267-F416 HydrophobicContact CG2-CE2 4.23Å; C285-F416 HydrophobicContact CB-CB 3.86Å; V332-F416 HydrophobicContact CG2-CD2 4.16Å; T413-F416 WeakPolarHBondContact O-CD1 3.37Å; F416-S418 PolarHBondContact O-N 3.48Å; F416-H419 PolarHBondContact O-N 3.46Å; F416-Y420 HydrophobicContact CE2-CD2 4.24Å; F416-Y420 HydrophobicContact CE2-CG 4.02Å; F416-Y420 VanDerWaalsContact O-CB 3.28Å; F416-Y420 WeakPolarHBondContact O-CB 3.36Å; F416-Y420 PolarHBondContact O-N 3.45Å
417	A	98.6	Very high	97.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-29.7	-174.4	0	0	0	0	0	112.4	K260 I369 T413 Y414 C415 Y420 V421	K260-A417 HydrophobicContact CD-CB 4.31Å; K260-A417 HydrophobicContact CG-CB 4.35Å; I369-A417 HydrophobicContact CD1-CB 3.69Å; I369-A417 HydrophobicContact CG1-CB 4Å; T413-A417 VanDerWaalsContact O-CB 3.3Å; T413-A417 WeakPolarHBondContact O-CB 3.33Å; T413-A417 PolarHBondContact O-N 3.24Å; Y414-A417 PolarHBondContact O-N 2.91Å; C415-A417 VanDerWaalsContact C-N 3.28Å; C415-A417 PolarHBondContact O-N 3.09Å; A417-Y420 WeakPolarHBondContact O-CB 3.06Å; A417-Y420 PolarHBondContact O-N 2.95Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 2.74Å
418	S	98.7	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.8	-48.1	176.5	-60.9	0	0	0	0	111.1	Y414 C415 F416 Y420 V421 L422	Y414-S418 VanDerWaalsContact O-CB 3.26Å; Y414-S418 WeakPolarHBondContact O-CB 3.44Å; Y414-S418 PolarHBondContact O-N 3.21Å; Y414-S418 PolarHBondContact O-OG 3.04Å; C415-S418 PolarHBondContact O-N 3.03Å; F416-S418 PolarHBondContact O-N 3.48Å; S418-Y420 PolarHBondContact O-N 3.33Å; S418-V421 PolarHBondContact O-N 3.17Å; S418-L422 WeakPolarHBondContact O-CB 3.35Å; S418-L422 PolarHBondContact O-N 2.97Å
419	H	98.8	Very high	97.7	Very high	15 Å²	15	17 Å²	17	7%	0.069	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-37.1	170.2	-85	-63.9	0	0	0	112.3	S325 G329 V332 C415 F416 L422 T423	S325-H419 PolarHBondContact O-CE1 3.45Å; S325-H419 PolarHBondContact O-NE2 3.45Å; S325-H419 PolarHBondContact OG-NE2 3.42Å; G329-H419 WeakPolarHBondContact CA-ND1 3.35Å; V332-H419 HydrophobicContact CB-CB 4.2Å; V332-H419 HydrophobicContact CG1-CB 4.2Å; V332-H419 HydrophobicContact CG2-CB 3.91Å; C415-H419 PolarHBondContact O-N 3.19Å; F416-H419 PolarHBondContact O-N 3.46Å; H419-L422 PolarHBondContact O-N 3.16Å; H419-T423 VanDerWaalsContact O-CB 3.29Å; H419-T423 WeakPolarHBondContact O-CB 3.46Å; H419-T423 PolarHBondContact O-N 3.12Å; H419-T423 PolarHBondContact O-OG1 3.4Å
420	Y	98.9	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.8	-46.8	178.7	178.4	-99	0	0	0	111.8	L218 Y258 A263 V332 I335 F336 F416 A417 S418 T423 L424	L218-Y420 HydrophobicContact CD1-CE1 3.92Å; L218-Y420 HydrophobicContact CD2-CE1 4.43Å; Y258-Y420 VanDerWaalsContact C-OH 3.32Å; Y258-Y420 WeakPolarHBondContact CA-OH 3.05Å; Y258-Y420 VanDerWaalsContact CB-OH 3.3Å; Y258-Y420 WeakPolarHBondContact CB-OH 3.36Å; Y258-Y420 HydrophobicContact CD1-CE2 4.4Å; Y258-Y420 PolarHBondContact O-OH 3.35Å; A263-Y420 HydrophobicContact CB-CD2 3.91Å; A263-Y420 HydrophobicContact CB-CE1 4.42Å; A263-Y420 HydrophobicContact CB-CE2 3.53Å; V332-Y420 HydrophobicContact CG1-CD2 4.32Å; I335-Y420 HydrophobicContact CD1-CD2 4.04Å; I335-Y420 HydrophobicContact CD1-CE2 4Å; F336-Y420 HydrophobicContact CE1-CE2 4.13Å; F336-Y420 AromaticContact CE2-CD2 3.95Å; F336-Y420 HydrophobicContact CE2-CD2 3.95Å; F336-Y420 AromaticContact CE2-CE2 3.89Å; F336-Y420 HydrophobicContact CE2-CE2 3.89Å; F336-Y420 AromaticContact CZ-CD2 3.7Å; F336-Y420 HydrophobicContact CZ-CD2 3.7Å; F336-Y420 AromaticContact CZ-CE2 3.25Å; F336-Y420 HydrophobicContact CZ-CE2 3.25Å; F416-Y420 HydrophobicContact CE2-CD2 4.24Å; F416-Y420 HydrophobicContact CE2-CG 4.02Å; F416-Y420 VanDerWaalsContact O-CB 3.28Å; F416-Y420 WeakPolarHBondContact O-CB 3.36Å; F416-Y420 PolarHBondContact O-N 3.45Å; A417-Y420 WeakPolarHBondContact O-CB 3.06Å; A417-Y420 PolarHBondContact O-N 2.95Å; S418-Y420 PolarHBondContact O-N 3.33Å; Y420-T423 PolarHBondContact O-N 3.13Å; Y420-L424 HydrophobicContact CE1-CD2 3.9Å; Y420-L424 WeakPolarHBondContact O-CB 3.38Å; Y420-L424 PolarHBondContact O-N 3.28Å
421	V	98.8	Very high	98.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.8	-45.3	175.4	166.6	0	0	0	0	110.8	L218 F366 I369 F384 A417 S418 L424 L425 F441	L218-V421 HydrophobicContact CD2-CG2 3.98Å; F366-V421 HydrophobicContact CD1-CB 4.41Å; F366-V421 HydrophobicContact CD1-CG1 3.83Å; F366-V421 HydrophobicContact CD1-CG2 3.77Å; F366-V421 HydrophobicContact CE1-CG1 4.16Å; F366-V421 HydrophobicContact CE1-CG2 4.07Å; I369-V421 HydrophobicContact CB-CG2 4.37Å; I369-V421 HydrophobicContact CD1-CG2 3.55Å; I369-V421 HydrophobicContact CG2-CG2 4.13Å; F384-V421 HydrophobicContact CE1-CG1 4.16Å; F384-V421 HydrophobicContact CZ-CB 4.4Å; F384-V421 HydrophobicContact CZ-CG1 3.72Å; A417-V421 WeakPolarHBondContact O-CG2 3.33Å; A417-V421 PolarHBondContact O-N 2.74Å; S418-V421 PolarHBondContact O-N 3.17Å; V421-L424 PolarHBondContact O-N 2.92Å; V421-L425 HydrophobicContact CG1-CD1 3.66Å; V421-L425 HydrophobicContact CG1-CG 4.23Å; V421-L425 WeakPolarHBondContact O-CB 3.01Å; V421-L425 VanDerWaalsContact O-CG 3.26Å; V421-L425 WeakPolarHBondContact O-CG 3.5Å; V421-L425 PolarHBondContact O-N 2.83Å; V421-F441 HydrophobicContact CG1-CE1 4.37Å
422	L	98.6	Very high	98.1	Very high	20 Å²	20	16.2 Å²	16.2	11%	0.105	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-52.1	177	179.1	61.7	0	0	0	111.4	L381 F384 N385 V388 S418 H419 L425 A426 W436	L381-L422 HydrophobicContact CD1-CD1 3.45Å; L381-L422 VanDerWaalsContact CD1-CD1 3.45Å; F384-L422 HydrophobicContact CD1-CB 4.35Å; F384-L422 HydrophobicContact CD1-CD1 4.16Å; F384-L422 HydrophobicContact CE1-CB 4.23Å; N385-L422 HydrophobicContact CB-CD2 4.12Å; N385-L422 VanDerWaalsContact OD1-CD2 3.31Å; N385-L422 WeakPolarHBondContact OD1-CD2 3.03Å; V388-L422 HydrophobicContact CG2-CD2 4.38Å; S418-L422 WeakPolarHBondContact O-CB 3.35Å; S418-L422 PolarHBondContact O-N 2.97Å; H419-L422 PolarHBondContact O-N 3.16Å; L422-L425 PolarHBondContact O-N 2.9Å; L422-A426 VanDerWaalsContact O-CB 3.26Å; L422-A426 WeakPolarHBondContact O-CB 3.27Å; L422-A426 PolarHBondContact O-N 3.07Å; L422-W436 HydrophobicContact CD1-CH2 4.03Å; L422-W436 HydrophobicContact CD1-CZ3 4.42Å
423	T	98.8	Very high	98.1	Very high	8 Å²	8	18.2 Å²	18.2	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-46	179	-56.8	0	0	0	0	111.4	K333 F336 F338 H419 Y420 L425 D427 G428	K333-T423 HydrophobicContact CB-CG2 4.34Å; K333-T423 HydrophobicContact CG-CG2 4.2Å; F336-T423 HydrophobicContact CD2-CG2 3.76Å; F336-T423 HydrophobicContact CE2-CG2 3.69Å; F336-T423 HydrophobicContact CZ-CG2 4.42Å; F338-T423 HydrophobicContact CE2-CG2 4.37Å; F338-T423 HydrophobicContact CZ-CG2 3.98Å; H419-T423 VanDerWaalsContact O-CB 3.29Å; H419-T423 WeakPolarHBondContact O-CB 3.46Å; H419-T423 PolarHBondContact O-N 3.12Å; H419-T423 PolarHBondContact O-OG1 3.4Å; Y420-T423 PolarHBondContact O-N 3.13Å; T423-L425 PolarHBondContact O-N 3.45Å; T423-D427 HydrophobicContact CG2-CB 4.2Å; T423-D427 CarbonylContact O-C 3.47Å; T423-D427 WeakPolarHBondContact O-CA 3.45Å; T423-D427 VanDerWaalsContact O-CB 3.3Å; T423-D427 WeakPolarHBondContact O-CB 3.41Å; T423-D427 PolarHBondContact O-N 2.86Å; T423-G428 PolarHBondContact O-N 3.21Å
424	L	98.8	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-61.9	-43.6	-178.9	176.7	62.6	0	0	0	111.5	T223 F336 F348 F366 Y420 V421 G428 Y429	T223-L424 HydrophobicContact CG2-CD2 4Å; F336-L424 HydrophobicContact CE1-CD1 4Å; F336-L424 HydrophobicContact CZ-CB 4.25Å; F336-L424 HydrophobicContact CZ-CD1 4.46Å; F348-L424 HydrophobicContact CD1-CD1 4.47Å; F348-L424 HydrophobicContact CE1-CD1 3.54Å; F348-L424 HydrophobicContact CZ-CD1 4.01Å; F366-L424 HydrophobicContact CE1-CD2 3.99Å; F366-L424 HydrophobicContact CZ-CD2 3.7Å; Y420-L424 HydrophobicContact CE1-CD2 3.9Å; Y420-L424 WeakPolarHBondContact O-CB 3.38Å; Y420-L424 PolarHBondContact O-N 3.28Å; V421-L424 PolarHBondContact O-N 2.92Å; L424-G428 CarbonylContact O-C 3.56Å; L424-G428 WeakPolarHBondContact O-CA 2.99Å; L424-G428 PolarHBondContact O-N 3.37Å; L424-Y429 HydrophobicContact CD1-CD1 4.35Å; L424-Y429 HydrophobicContact CD1-CE1 3.79Å; L424-Y429 HydrophobicContact CD1-CE2 4.18Å; L424-Y429 HydrophobicContact CD2-CE2 4.25Å; L424-Y429 HydrophobicContact CG-CD2 4.4Å; L424-Y429 HydrophobicContact CG-CE1 4.45Å; L424-Y429 HydrophobicContact CG-CE2 3.96Å; L424-Y429 PolarHBondContact O-N 2.94Å
425	L	98.6	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-76.3	-49.3	-178.1	-66	-180	0	0	0	111.6	M216 F366 V421 L422 T423 Y429 K430 F431 W436 I439 F441	M216-L425 HydrophobicContact CE-CD2 3.9Å; M216-L425 HydrophobicContact SD-CD2 3.53Å; M216-L425 VanDerWaalsContact SD-CD2 3.53Å; F366-L425 HydrophobicContact CD1-CD1 4.44Å; F366-L425 HydrophobicContact CE1-CD1 4.34Å; F366-L425 HydrophobicContact CE1-CD2 3.86Å; F366-L425 HydrophobicContact CE1-CG 4.09Å; F366-L425 HydrophobicContact CZ-CD2 4.16Å; V421-L425 HydrophobicContact CG1-CD1 3.66Å; V421-L425 HydrophobicContact CG1-CG 4.23Å; V421-L425 WeakPolarHBondContact O-CB 3.01Å; V421-L425 VanDerWaalsContact O-CG 3.26Å; V421-L425 WeakPolarHBondContact O-CG 3.5Å; V421-L425 PolarHBondContact O-N 2.83Å; L422-L425 PolarHBondContact O-N 2.9Å; T423-L425 PolarHBondContact O-N 3.45Å; L425-Y429 HydrophobicContact CD2-CD2 3.75Å; L425-Y429 HydrophobicContact CD2-CE2 4.25Å; L425-Y429 CarbonylContact O-C 3.59Å; L425-Y429 PolarHBondContact O-N 3.38Å; L425-K430 PolarHBondContact O-N 2.95Å; L425-F431 HydrophobicContact CB-CD2 4.44Å; L425-F431 HydrophobicContact CD2-CD2 4.42Å; L425-F431 HydrophobicContact CD2-CE2 4.48Å; L425-F431 PolarHBondContact O-N 3.16Å; L425-W436 HydrophobicContact CB-CE3 4.23Å; L425-W436 HydrophobicContact CB-CH2 3.85Å; L425-W436 HydrophobicContact CB-CZ3 3.39Å; L425-W436 HydrophobicContact CD1-CH2 3.75Å; L425-W436 HydrophobicContact CD1-CZ2 4.31Å; L425-W436 HydrophobicContact CD1-CZ3 4.05Å; L425-W436 HydrophobicContact CG-CH2 4.43Å; L425-W436 HydrophobicContact CG-CZ3 4.37Å; L425-I439 HydrophobicContact CD1-CD1 4.13Å; L425-F441 HydrophobicContact CD1-CE1 3.92Å; L425-F441 HydrophobicContact CD1-CZ 3.68Å
426	A	98.2	Very high	98	Very high	25 Å²	25	25.9 Å²	25.9	21%	0.207	13%	0.134	C	C	.	.	I	π-helix	trans	-77.8	-56	-175	0	0	0	0	0	112.4	L381 L422 K430 F431 W436	L381-A426 HydrophobicContact CD1-CB 4.24Å; L422-A426 VanDerWaalsContact O-CB 3.26Å; L422-A426 WeakPolarHBondContact O-CB 3.27Å; L422-A426 PolarHBondContact O-N 3.07Å; A426-K430 VanDerWaalsContact O-CA 3.3Å; A426-K430 WeakPolarHBondContact O-CA 3.13Å; A426-K430 PolarHBondContact O-N 3.46Å; A426-F431 WeakPolarHBondContact CA-O 3.37Å; A426-W436 HydrophobicContact CB-CZ3 4.23Å
427	D	97.6	Very high	97.9	Very high	52 Å²	52	30.7 Å²	30.7	28%	0.278	16%	0.155	S	C	.	.	I	π-helix	trans	-82.1	-36.2	-178.9	-65.9	-75.1	0	0	0	112.4	K333 F338 T423 K430	K333-D427 IonicContact NZ-OD1 3.99Å; K333-D427 PolarHBondContact NZ-OD1 3.47Å; K333-D427 IonicContact NZ-OD2 2.7Å; K333-D427 PolarHBondContact NZ-OD2 3.31Å; F338-D427 HydrophobicContact CE1-CB 3.81Å; F338-D427 WeakPolarHBondContact CE1-O 3.26Å; F338-D427 HydrophobicContact CE2-CB 4.02Å; F338-D427 HydrophobicContact CZ-CB 3.52Å; T423-D427 HydrophobicContact CG2-CB 4.2Å; T423-D427 CarbonylContact O-C 3.47Å; T423-D427 WeakPolarHBondContact O-CA 3.45Å; T423-D427 VanDerWaalsContact O-CB 3.3Å; T423-D427 WeakPolarHBondContact O-CB 3.41Å; T423-D427 PolarHBondContact O-N 2.86Å; D427-K430 WeakPolarHBondContact O-CD 3.43Å; D427-K430 VanDerWaalsContact O-CE 3.22Å; D427-K430 WeakPolarHBondContact O-CE 3.32Å; D427-K430 PolarHBondContact O-NZ 3.35Å
428	G	97.8	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-78.6	-66	-177.9	0	0	0	0	0	112.6	S347 T423 L424 K430	S347-G428 CarbonylContact C-O 3.24Å; S347-G428 WeakPolarHBondContact CA-O 3.43Å; S347-G428 VanDerWaalsContact CB-O 3.25Å; S347-G428 WeakPolarHBondContact CB-O 3.42Å; T423-G428 PolarHBondContact O-N 3.21Å; L424-G428 CarbonylContact O-C 3.56Å; L424-G428 WeakPolarHBondContact O-CA 2.99Å; L424-G428 PolarHBondContact O-N 3.37Å; G428-K430 VanDerWaalsContact C-N 3.28Å; G428-K430 PolarHBondContact O-N 2.05Å
429	Y	98.3	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-84.4	-2.1	-175.8	-60.9	-21.5	0	0	0	113.8	M216 T223 I225 F255 F348 Q353 F366 L424 L425 F431	M216-Y429 HydrophobicContact CG-CE2 4.5Å; M216-Y429 HydrophobicContact SD-CD2 3.65Å; M216-Y429 HydrophobicContact SD-CE2 3.91Å; T223-Y429 WeakPolarHBondContact CG2-OH 3.49Å; T223-Y429 PolarHBondContact OG1-OH 3.22Å; I225-Y429 HydrophobicContact CB-CE1 4.31Å; I225-Y429 HydrophobicContact CB-CE2 4.13Å; I225-Y429 HydrophobicContact CD1-CD1 4.19Å; I225-Y429 HydrophobicContact CD1-CD2 3.92Å; I225-Y429 HydrophobicContact CD1-CE2 4.35Å; I225-Y429 HydrophobicContact CD1-CG 3.84Å; I225-Y429 HydrophobicContact CG2-CD1 4.43Å; I225-Y429 HydrophobicContact CG2-CE1 3.98Å; F255-Y429 HydrophobicContact CD2-CE1 4.09Å; F255-Y429 AromaticContact CE2-CE1 3.59Å; F255-Y429 HydrophobicContact CE2-CE1 3.59Å; F255-Y429 HydrophobicContact CZ-CE1 4.36Å; F348-Y429 HydrophobicContact CE1-CE1 4.17Å; Q353-Y429 PolarHBondContact NE2-O 2.85Å; F366-Y429 HydrophobicContact CZ-CE2 4.42Å; L424-Y429 HydrophobicContact CD1-CD1 4.35Å; L424-Y429 HydrophobicContact CD1-CE1 3.79Å; L424-Y429 HydrophobicContact CD1-CE2 4.18Å; L424-Y429 HydrophobicContact CD2-CE2 4.25Å; L424-Y429 HydrophobicContact CG-CD2 4.4Å; L424-Y429 HydrophobicContact CG-CE1 4.45Å; L424-Y429 HydrophobicContact CG-CE2 3.96Å; L424-Y429 PolarHBondContact O-N 2.94Å; L425-Y429 HydrophobicContact CD2-CD2 3.75Å; L425-Y429 HydrophobicContact CD2-CE2 4.25Å; L425-Y429 CarbonylContact O-C 3.59Å; L425-Y429 PolarHBondContact O-N 3.38Å; Y429-F431 VanDerWaalsContact C-N 3.34Å; Y429-F431 HydrophobicContact CD2-CE2 4.39Å; Y429-F431 PolarHBondContact O-N 3.13Å
430	K	97.3	Very high	97.7	Very high	75 Å²	75	33.3 Å²	33.3	33%	0.326	17%	0.168	S	C	.	.			trans	65.1	32.9	174.9	-45.7	-59	-179.9	-174.2	0	113.5	C346 L425 A426 D427 G428 D432	C346-K430 WeakPolarHBondContact O-CE 3.37Å; L425-K430 PolarHBondContact O-N 2.95Å; A426-K430 VanDerWaalsContact O-CA 3.3Å; A426-K430 WeakPolarHBondContact O-CA 3.13Å; A426-K430 PolarHBondContact O-N 3.46Å; D427-K430 WeakPolarHBondContact O-CD 3.43Å; D427-K430 VanDerWaalsContact O-CE 3.22Å; D427-K430 WeakPolarHBondContact O-CE 3.32Å; D427-K430 PolarHBondContact O-NZ 3.35Å; G428-K430 VanDerWaalsContact C-N 3.28Å; G428-K430 PolarHBondContact O-N 2.05Å; K430-D432 PolarHBondContact O-N 3.2Å
431	F	97.9	Very high	97.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.018	17%	0.168	C	C	.	.			trans	-73.4	120.6	166.4	-72.2	-85	0	0	0	109.7	M216 V356 F360 L425 A426 Y429 T435 W436 I439	M216-F431 HydrophobicContact CE-CE2 3.92Å; M216-F431 HydrophobicContact CE-CZ 3.94Å; M216-F431 HydrophobicContact SD-CE2 3.76Å; M216-F431 HydrophobicContact SD-CZ 4.19Å; V356-F431 HydrophobicContact CB-CE1 3.95Å; V356-F431 HydrophobicContact CB-CE2 4.49Å; V356-F431 HydrophobicContact CB-CZ 3.93Å; V356-F431 HydrophobicContact CG1-CE1 4.32Å; V356-F431 HydrophobicContact CG1-CE2 3.98Å; V356-F431 HydrophobicContact CG1-CZ 3.81Å; V356-F431 HydrophobicContact CG2-CD1 3.83Å; V356-F431 HydrophobicContact CG2-CE1 3.76Å; V356-F431 HydrophobicContact CG2-CE2 4.48Å; V356-F431 HydrophobicContact CG2-CG 4.23Å; V356-F431 HydrophobicContact CG2-CZ 4.1Å; F360-F431 HydrophobicContact CB-CZ 4.31Å; F360-F431 AromaticContact CD1-CZ 3.92Å; F360-F431 HydrophobicContact CD1-CZ 3.92Å; F360-F431 AromaticContact CD2-CE1 3.71Å; F360-F431 HydrophobicContact CD2-CE1 3.71Å; F360-F431 AromaticContact CD2-CZ 3.66Å; F360-F431 HydrophobicContact CD2-CZ 3.66Å; F360-F431 HydrophobicContact CE1-CZ 4.11Å; F360-F431 AromaticContact CE2-CE1 4Å; F360-F431 HydrophobicContact CE2-CE1 4Å; F360-F431 AromaticContact CE2-CZ 3.88Å; F360-F431 HydrophobicContact CE2-CZ 3.88Å; F360-F431 HydrophobicContact CG-CE1 4.13Å; F360-F431 AromaticContact CG-CZ 3.7Å; F360-F431 HydrophobicContact CG-CZ 3.7Å; F360-F431 HydrophobicContact CZ-CZ 4.1Å; L425-F431 HydrophobicContact CB-CD2 4.44Å; L425-F431 HydrophobicContact CD2-CD2 4.42Å; L425-F431 HydrophobicContact CD2-CE2 4.48Å; L425-F431 PolarHBondContact O-N 3.16Å; A426-F431 WeakPolarHBondContact CA-O 3.37Å; Y429-F431 VanDerWaalsContact C-N 3.34Å; Y429-F431 HydrophobicContact CD2-CE2 4.39Å; Y429-F431 PolarHBondContact O-N 3.13Å; F431-T435 WeakPolarHBondContact CA-OG1 3.03Å; F431-W436 HydrophobicContact CB-CE3 4.01Å; F431-I439 HydrophobicContact CB-CD1 4.17Å; F431-I439 HydrophobicContact CD1-CD1 3.72Å; F431-I439 HydrophobicContact CD1-CG1 3.88Å; F431-I439 HydrophobicContact CD2-CD1 3.96Å; F431-I439 HydrophobicContact CE1-CD1 4.04Å; F431-I439 HydrophobicContact CE1-CG1 3.82Å; F431-I439 HydrophobicContact CE2-CD1 4.26Å; F431-I439 HydrophobicContact CG-CD1 3.68Å; F431-I439 HydrophobicContact CG-CG1 4.36Å; F431-I439 HydrophobicContact CZ-CD1 4.3Å; F431-I439 HydrophobicContact CZ-CG1 4.24Å
432	D	96.9	Very high	97.4	Very high	78 Å²	78	36.1 Å²	36.1	42%	0.417	18%	0.182	S	C	.	.			trans	-101.5	-175	175.9	62.3	18	0	0	0	111.7	K430 E434 T435 W436	K430-D432 PolarHBondContact O-N 3.2Å; D432-E434 PolarHBondContact O-N 3.4Å; D432-E434 VanDerWaalsContact O-N 3.14Å; D432-E434 PolarHBondContact OD1-N 2.04Å; D432-T435 PolarHBondContact N-OG1 3.31Å; D432-T435 PolarHBondContact O-N 2.78Å; D432-T435 WeakPolarHBondContact OD1-CB 3.26Å; D432-T435 PolarHBondContact OD1-N 2.69Å; D432-T435 PolarHBondContact OD1-OG1 3.48Å; D432-W436 WeakPolarHBondContact O-CB 3.45Å; D432-W436 PolarHBondContact O-N 2.04Å
433	N	96.5	Very high	97	Very high	76 Å²	76	38.5 Å²	38.5	41%	0.406	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.9	-180	-78.7	-13.8	0	0	0	114.1	L381 K437	L381-N433 WeakPolarHBondContact CB-OD1 3.49Å; L381-N433 WeakPolarHBondContact CD2-OD1 3.3Å; N433-K437 VanDerWaalsContact O-CE 3.31Å; N433-K437 WeakPolarHBondContact O-CE 3.4Å
434	E	95.9	Very high	96.6	Very high	158 Å²	158	42 Å²	42	74%	0.738	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-46.8	179.2	-62.1	-172.2	175.8	0	0	110.6	D432	D432-E434 PolarHBondContact O-N 3.4Å; D432-E434 VanDerWaalsContact O-N 3.14Å; D432-E434 PolarHBondContact OD1-N 2.04Å
435	T	96.9	Very high	96	Very high	30 Å²	30	42.6 Å²	42.6	18%	0.184	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-25	-174.6	52.7	0	0	0	0	113.6	V356 F431 D432 K437 N438	V356-T435 HydrophobicContact CG2-CG2 4.49Å; F431-T435 WeakPolarHBondContact CA-OG1 3.03Å; D432-T435 PolarHBondContact N-OG1 3.31Å; D432-T435 PolarHBondContact O-N 2.78Å; D432-T435 WeakPolarHBondContact OD1-CB 3.26Å; D432-T435 PolarHBondContact OD1-N 2.69Å; D432-T435 PolarHBondContact OD1-OG1 3.48Å; T435-K437 PolarHBondContact O-N 2.93Å; T435-N438 VanDerWaalsContact O-CB 3.3Å; T435-N438 WeakPolarHBondContact O-CB 3.06Å; T435-N438 PolarHBondContact O-N 2.93Å
436	W	97.9	Very high	95.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-59	-33.8	178.2	-174.2	-80	0	0	0	112.9	L381 F384 L422 L425 A426 F431 D432 N438 I439 F441	L381-W436 HydrophobicContact CB-CB 4.16Å; L381-W436 HydrophobicContact CB-CD2 3.96Å; L381-W436 HydrophobicContact CB-CE3 4.35Å; L381-W436 HydrophobicContact CB-CG 3.85Å; L381-W436 HydrophobicContact CD1-CD2 3.92Å; L381-W436 HydrophobicContact CD1-CE3 3.6Å; L381-W436 HydrophobicContact CD1-CH2 3.94Å; L381-W436 HydrophobicContact CD1-CZ2 4.26Å; L381-W436 HydrophobicContact CD1-CZ3 3.58Å; L381-W436 HydrophobicContact CG-CD2 4.48Å; L381-W436 HydrophobicContact CG-CE3 4.41Å; L381-W436 VanDerWaalsContact N-CD1 3.33Å; F384-W436 HydrophobicContact CB-CZ2 3.81Å; F384-W436 HydrophobicContact CD1-CH2 4.25Å; F384-W436 AromaticContact CD1-CZ2 3.94Å; F384-W436 HydrophobicContact CD1-CZ2 3.94Å; F384-W436 AromaticContact CD2-CZ2 3.85Å; F384-W436 HydrophobicContact CD2-CZ2 3.85Å; F384-W436 HydrophobicContact CE1-CZ2 4.48Å; F384-W436 HydrophobicContact CE2-CZ2 4.4Å; F384-W436 HydrophobicContact CG-CH2 4.35Å; F384-W436 AromaticContact CG-CZ2 3.6Å; F384-W436 HydrophobicContact CG-CZ2 3.6Å; L422-W436 HydrophobicContact CD1-CH2 4.03Å; L422-W436 HydrophobicContact CD1-CZ3 4.42Å; L425-W436 HydrophobicContact CB-CE3 4.23Å; L425-W436 HydrophobicContact CB-CH2 3.85Å; L425-W436 HydrophobicContact CB-CZ3 3.39Å; L425-W436 HydrophobicContact CD1-CH2 3.75Å; L425-W436 HydrophobicContact CD1-CZ2 4.31Å; L425-W436 HydrophobicContact CD1-CZ3 4.05Å; L425-W436 HydrophobicContact CG-CH2 4.43Å; L425-W436 HydrophobicContact CG-CZ3 4.37Å; A426-W436 HydrophobicContact CB-CZ3 4.23Å; F431-W436 HydrophobicContact CB-CE3 4.01Å; D432-W436 WeakPolarHBondContact O-CB 3.45Å; D432-W436 PolarHBondContact O-N 2.04Å; W436-N438 PolarHBondContact O-N 3.47Å; W436-N438 VanDerWaalsContact O-N 3.08Å; W436-I439 HydrophobicContact CD2-CD1 4.07Å; W436-I439 HydrophobicContact CE3-CD1 4.1Å; W436-I439 HydrophobicContact CG-CD1 4.35Å; W436-I439 WeakPolarHBondContact O-CB 3.04Å; W436-I439 WeakPolarHBondContact O-CG1 3.2Å; W436-I439 PolarHBondContact O-N 3.49Å; W436-F441 HydrophobicContact CZ2-CZ 4.27Å
437	K	96.4	Very high	94.3	Very high	104 Å²	104	54.4 Å²	54.4	45%	0.452	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64.9	-13.9	179.3	-62.3	175.5	-176.3	171.1	0	113.4	K378 D380 N433 T435 I439	K378-K437 PolarHBondContact NZ-O 2.63Å; D380-K437 WeakPolarHBondContact OD2-CE 3.34Å; N433-K437 VanDerWaalsContact O-CE 3.31Å; N433-K437 WeakPolarHBondContact O-CE 3.4Å; T435-K437 PolarHBondContact O-N 2.93Å; K437-I439 VanDerWaalsContact C-N 3.35Å
438	N	96.6	Very high	93.7	Very high	47 Å²	47	53.5 Å²	53.5	25%	0.251	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-91.2	-1.1	177.2	-56.8	-19.7	0	0	0	111.7	G358 D359 F360 T435 W436 H440	G358-N438 WeakPolarHBondContact O-CB 3.36Å; D359-N438 CarbonylContact C-O 3.53Å; D359-N438 WeakPolarHBondContact CA-O 3.33Å; F360-N438 PolarHBondContact N-O 3.12Å; T435-N438 VanDerWaalsContact O-CB 3.3Å; T435-N438 WeakPolarHBondContact O-CB 3.06Å; T435-N438 PolarHBondContact O-N 2.93Å; W436-N438 PolarHBondContact O-N 3.47Å; W436-N438 VanDerWaalsContact O-N 3.08Å; N438-H440 PolarHBondContact O-CD2 3.38Å
439	I	98.1	Very high	93	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.3	175.2	-54	174.1	0	0	0	109.9	M216 A362 L425 F431 W436 K437 F441	M216-I439 HydrophobicContact CE-CD1 4.23Å; M216-I439 HydrophobicContact CE-CG1 4.14Å; M216-I439 HydrophobicContact CE-CG2 3.88Å; A362-I439 HydrophobicContact CB-CG2 3.8Å; L425-I439 HydrophobicContact CD1-CD1 4.13Å; F431-I439 HydrophobicContact CB-CD1 4.17Å; F431-I439 HydrophobicContact CD1-CD1 3.72Å; F431-I439 HydrophobicContact CD1-CG1 3.88Å; F431-I439 HydrophobicContact CD2-CD1 3.96Å; F431-I439 HydrophobicContact CE1-CD1 4.04Å; F431-I439 HydrophobicContact CE1-CG1 3.82Å; F431-I439 HydrophobicContact CE2-CD1 4.26Å; F431-I439 HydrophobicContact CG-CD1 3.68Å; F431-I439 HydrophobicContact CG-CG1 4.36Å; F431-I439 HydrophobicContact CZ-CD1 4.3Å; F431-I439 HydrophobicContact CZ-CG1 4.24Å; W436-I439 HydrophobicContact CD2-CD1 4.07Å; W436-I439 HydrophobicContact CE3-CD1 4.1Å; W436-I439 HydrophobicContact CG-CD1 4.35Å; W436-I439 WeakPolarHBondContact O-CB 3.04Å; W436-I439 WeakPolarHBondContact O-CG1 3.2Å; W436-I439 PolarHBondContact O-N 3.49Å; K437-I439 VanDerWaalsContact C-N 3.35Å; I439-F441 HydrophobicContact CB-CE2 4.3Å; I439-F441 HydrophobicContact CG2-CD2 4.14Å; I439-F441 HydrophobicContact CG2-CE1 4.13Å; I439-F441 HydrophobicContact CG2-CE2 3.71Å; I439-F441 HydrophobicContact CG2-CZ 3.71Å
440	H	97.2	Very high	92.5	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.102	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	108.2	174.9	-69.6	-107.6	0	0	0	110	D359 F360 M361 A362 K378 N438 E442	D359-H440 IonicContact OD1-NE2 3.38Å; F360-H440 WeakPolarHBondContact O-CB 3.24Å; F360-H440 PolarHBondContact O-N 3.44Å; M361-H440 HydrophobicContact CE-CB 3.87Å; M361-H440 HydrophobicContact SD-CB 3.88Å; A362-H440 PolarHBondContact N-O 2.86Å; K378-H440 WeakPolarHBondContact CE-CE1 3.45Å; K378-H440 WeakPolarHBondContact CE-NE2 3.45Å; N438-H440 PolarHBondContact O-CD2 3.38Å; H440-E442 HydrophobicContact CB-CG 4.32Å; H440-E442 IonicContact CG-OE1 3.55Å; H440-E442 IonicContact ND1-OE1 2.75Å; H440-E442 PolarHBondContact ND1-OE1 3.4Å; H440-E442 PolarHBondContact O-N 3.08Å
441	F	97.5	Very high	92.1	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	92.1	174.1	-63.2	-83.6	0	0	0	110.3	A362 F366 F367 A370 G377 F384 V421 L425 W436 I439	A362-F441 HydrophobicContact CB-CD1 3.78Å; A362-F441 HydrophobicContact CB-CE1 3.98Å; A362-F441 HydrophobicContact CB-CG 4.48Å; A362-F441 WeakPolarHBondContact O-CA 3.43Å; F366-F441 HydrophobicContact CB-CD1 4.05Å; F366-F441 HydrophobicContact CB-CE1 4.24Å; F366-F441 HydrophobicContact CD1-CE1 4.48Å; F367-F441 WeakPolarHBondContact CD2-O 3.22Å; A370-F441 HydrophobicContact CB-CB 3.7Å; A370-F441 HydrophobicContact CB-CD1 3.65Å; A370-F441 HydrophobicContact CB-CD2 4.24Å; A370-F441 HydrophobicContact CB-CE1 4.32Å; A370-F441 HydrophobicContact CB-CG 3.6Å; G377-F441 PolarHBondContact N-O 3.15Å; G377-F441 PolarHBondContact O-N 3.24Å; F384-F441 HydrophobicContact CE2-CE2 4.33Å; F384-F441 HydrophobicContact CE2-CZ 4.09Å; V421-F441 HydrophobicContact CG1-CE1 4.37Å; L425-F441 HydrophobicContact CD1-CE1 3.92Å; L425-F441 HydrophobicContact CD1-CZ 3.68Å; W436-F441 HydrophobicContact CZ2-CZ 4.27Å; I439-F441 HydrophobicContact CB-CE2 4.3Å; I439-F441 HydrophobicContact CG2-CD2 4.14Å; I439-F441 HydrophobicContact CG2-CE1 4.13Å; I439-F441 HydrophobicContact CG2-CE2 3.71Å; I439-F441 HydrophobicContact CG2-CZ 3.71Å
442	E	94.4	Very high	91.9	Very high	59 Å²	59	53.8 Å²	53.8	28%	0.276	27%	0.266	S	S	.	.			trans	-133.7	149.1	-176.1	-55.2	-179.4	-161.5	0	0	112.6	M361 A362 Y363 H440	M361-E442 HydrophobicContact CE-CG 4.47Å; M361-E442 HydrophobicContact SD-CB 3.64Å; M361-E442 HydrophobicContact SD-CG 4.01Å; A362-E442 PolarHBondContact O-N 3.16Å; Y363-E442 WeakPolarHBondContact CA-O 3.39Å; Y363-E442 VanDerWaalsContact CB-O 3.23Å; Y363-E442 WeakPolarHBondContact CB-O 3.49Å; H440-E442 HydrophobicContact CB-CG 4.32Å; H440-E442 IonicContact CG-OE1 3.55Å; H440-E442 IonicContact ND1-OE1 2.75Å; H440-E442 PolarHBondContact ND1-OE1 3.4Å; H440-E442 PolarHBondContact O-N 3.08Å
443	Q	89.4	Confident	91.9	Very high	70 Å²	70	50.2 Å²	50.2	33%	0.327	25%	0.248	S	C	.	.	S	Bend	trans	-89.9	-30.3	177.9	-164.7	178.6	-2.7	0	0	113	F367 I450	F367-Q443 HydrophobicContact CD1-CB 3.59Å; F367-Q443 HydrophobicContact CD1-CG 3.97Å; F367-Q443 HydrophobicContact CD2-CB 4.16Å; F367-Q443 HydrophobicContact CE1-CB 3.56Å; F367-Q443 HydrophobicContact CE1-CG 4.01Å; F367-Q443 HydrophobicContact CE2-CB 4.11Å; F367-Q443 HydrophobicContact CG-CB 3.89Å; F367-Q443 HydrophobicContact CZ-CB 3.81Å; Q443-I450 PolarHBondContact O-N 2.66Å
444	K	89.7	Confident	91.8	Very high	82 Å²	82	46.8 Å²	46.8	36%	0.357	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.3	-166	-63.4	-176.3	171.8	-164.5	0	110.6	E447 T448	K444-E447 PolarHBondContact NZ-O 2.64Å; K444-E447 IonicContact NZ-OE2 2.79Å; K444-E447 PolarHBondContact NZ-OE2 3.42Å; K444-T448 CarbonylContact C-O 3.54Å; K444-T448 WeakPolarHBondContact CA-O 3.5Å; K444-T448 WeakPolarHBondContact CB-O 3.45Å
445	I	86.9	Confident	91.8	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.3	167.2	-60.7	156.5	0	0	0	107	V188 L191 K192 M361 E447 T448 I450	V188-I445 HydrophobicContact CG1-CD1 4.48Å; L191-I445 HydrophobicContact CB-CB 3.76Å; L191-I445 HydrophobicContact CB-CD1 3.99Å; L191-I445 HydrophobicContact CB-CG2 3.65Å; L191-I445 HydrophobicContact CD1-CB 4.14Å; L191-I445 HydrophobicContact CD1-CD1 4.39Å; L191-I445 WeakPolarHBondContact O-CG2 3.46Å; K192-I445 HydrophobicContact CD-CD1 4.29Å; K192-I445 HydrophobicContact CD-CG2 4.23Å; K192-I445 HydrophobicContact CG-CD1 4.07Å; M361-I445 HydrophobicContact CE-CD1 4.24Å; M361-I445 HydrophobicContact CE-CG1 4.31Å; I445-E447 VanDerWaalsContact C-N 3.3Å; I445-E447 PolarHBondContact O-N 2.74Å; I445-T448 PolarHBondContact N-O 3.48Å; I445-T448 PolarHBondContact O-N 3.48Å; I445-I450 HydrophobicContact CD1-CD1 3.86Å; I445-I450 HydrophobicContact CD1-CG1 3.99Å; I445-I450 HydrophobicContact CG1-CD1 3.99Å; I445-I450 HydrophobicContact CG1-CG1 4.21Å
446	K	80.8	Confident	91.8	Very high	124 Å²	124	38.8 Å²	38.8	54%	0.539	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	51	-178.1	-61.3	178.3	179.2	172.6	0	112.4	E193 T448	E193-K446 IonicContact OE1-NZ 2.6Å; E193-K446 PolarHBondContact OE1-NZ 3.35Å; E193-K446 IonicContact OE2-NZ 3.84Å; E193-K446 PolarHBondContact OE2-NZ 2.65Å; K446-T448 PolarHBondContact O-N 2.97Å
447	E	81.1	Confident	91.7	Very high	149 Å²	149	38.8 Å²	38.8	70%	0.696	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-6.8	-177.1	-62.2	-54.6	136.9	0	0	117.6	K444 I445	K444-E447 PolarHBondContact NZ-O 2.64Å; K444-E447 IonicContact NZ-OE2 2.79Å; K444-E447 PolarHBondContact NZ-OE2 3.42Å; I445-E447 VanDerWaalsContact C-N 3.3Å; I445-E447 PolarHBondContact O-N 2.74Å
448	T	84.3	Confident	91.5	Very high	32 Å²	32	33.9 Å²	33.9	20%	0.196	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.4	178.2	-55	0	0	0	0	109.9	E83 L191 K444 I445 K446	E83-T448 HydrophobicContact CB-CG2 4.42Å; L191-T448 HydrophobicContact CD1-CG2 4.06Å; L191-T448 HydrophobicContact CD2-CG2 4.02Å; K444-T448 CarbonylContact C-O 3.54Å; K444-T448 WeakPolarHBondContact CA-O 3.5Å; K444-T448 WeakPolarHBondContact CB-O 3.45Å; I445-T448 PolarHBondContact N-O 3.48Å; I445-T448 PolarHBondContact O-N 3.48Å; K446-T448 PolarHBondContact O-N 2.97Å
449	S	83.4	Confident	91.3	Very high	48 Å²	48	32.5 Å²	32.5	34%	0.336	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139	178.1	-57.5	0	0	0	0	110.3
450	I	87	Confident	91	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.097	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-80.3	132.2	179.9	-53.2	162.4	0	0	0	109.2	T187 V188 M361 Y363 Q443 I445	T187-I450 HydrophobicContact CG2-CG2 4.26Å; V188-I450 HydrophobicContact CG2-CG2 3.68Å; M361-I450 HydrophobicContact CG-CD1 3.61Å; M361-I450 HydrophobicContact SD-CD1 4.04Å; Y363-I450 HydrophobicContact CD1-CB 4.21Å; Y363-I450 HydrophobicContact CD1-CD1 4.36Å; Y363-I450 HydrophobicContact CD1-CG2 3.5Å; Y363-I450 HydrophobicContact CD2-CB 4.05Å; Y363-I450 HydrophobicContact CD2-CG2 3.83Å; Y363-I450 HydrophobicContact CE1-CG2 3.58Å; Y363-I450 HydrophobicContact CE2-CG2 3.92Å; Y363-I450 HydrophobicContact CG-CB 3.87Å; Y363-I450 HydrophobicContact CG-CD1 4.3Å; Y363-I450 HydrophobicContact CG-CG2 3.63Å; Q443-I450 PolarHBondContact O-N 2.66Å; I445-I450 HydrophobicContact CD1-CD1 3.86Å; I445-I450 HydrophobicContact CD1-CG1 3.99Å; I445-I450 HydrophobicContact CG1-CD1 3.99Å; I445-I450 HydrophobicContact CG1-CG1 4.21Å
451	G	88.7	Confident	90.5	Very high	13 Å²	13	32.5 Å²	32.5	13%	0.134	16%	0.162	C	C	.	.			trans	-174.4	166.2	177.3	0	0	0	0	0	111.4	T187 S453	T187-G451 VanDerWaalsContact CB-O 3.23Å; T187-G451 WeakPolarHBondContact CB-O 3.26Å; T187-G451 WeakPolarHBondContact CG2-O 3.26Å; T187-G451 PolarHBondContact OG1-O 3.24Å; G451-S453 VanDerWaalsContact C-N 3.3Å; G451-S453 PolarHBondContact O-N 2.72Å
452	W	94.8	Very high	89.9	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-70.7	-22.5	-174	69.9	-96.1	0	0	0	113.7	V55 D57 T137 I175 E180 Y183 L454 G455 Y456	V55-W452 HydrophobicContact CG1-CH2 3.83Å; V55-W452 HydrophobicContact CG1-CZ3 4.02Å; D57-W452 HydrophobicContact CB-CZ2 3.92Å; D57-W452 PolarHBondContact OD1-NE1 2.75Å; T137-W452 HydrophobicContact CG2-CZ2 4.49Å; I175-W452 HydrophobicContact CD1-CD2 3.89Å; I175-W452 HydrophobicContact CD1-CE3 4.06Å; I175-W452 HydrophobicContact CD1-CG 4.44Å; I175-W452 HydrophobicContact CD1-CH2 4.35Å; I175-W452 HydrophobicContact CD1-CZ2 4.12Å; I175-W452 HydrophobicContact CD1-CZ3 4.3Å; E180-W452 HydrophobicContact CG-CG 4.36Å; Y183-W452 WeakPolarHBondContact CB-O 3.41Å; Y183-W452 HydrophobicContact CD2-CE3 4.45Å; W452-L454 PolarHBondContact O-N 3.09Å; W452-G455 PolarHBondContact O-N 3.19Å; W452-Y456 HydrophobicContact CE3-CG 4.29Å; W452-Y456 HydrophobicContact CZ3-CD1 4.36Å; W452-Y456 HydrophobicContact CZ3-CD2 4.02Å; W452-Y456 AromaticContact CZ3-CG 3.76Å; W452-Y456 HydrophobicContact CZ3-CG 3.76Å; W452-Y456 PolarHBondContact O-N 3.03Å
453	S	95.7	Very high	89	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-36.1	-171.7	56.2	0	0	0	0	114.5	Y68 G451 M457	Y68-S453 PolarHBondContact OH-OG 3.29Å; G451-S453 VanDerWaalsContact C-N 3.3Å; G451-S453 PolarHBondContact O-N 2.72Å; S453-M457 PolarHBondContact O-N 3.48Å
454	L	95.4	Very high	88.4	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-68.5	-46.5	177.3	176.1	59.6	0	0	0	111.1	Y68 V81 T187 Y190 L191 W452 Y456 M457 L458	Y68-L454 HydrophobicContact CD1-CD1 3.78Å; Y68-L454 HydrophobicContact CE1-CB 4Å; Y68-L454 HydrophobicContact CE1-CD1 3.65Å; Y68-L454 HydrophobicContact CE1-CG 4.36Å; Y68-L454 PolarHBondContact OH-N 3.33Å; V81-L454 HydrophobicContact CB-CD1 3.99Å; V81-L454 HydrophobicContact CG1-CD1 3.58Å; T187-L454 HydrophobicContact CG2-CB 4.14Å; T187-L454 HydrophobicContact CG2-CD2 4.19Å; Y190-L454 HydrophobicContact CD1-CD2 3.85Å; Y190-L454 HydrophobicContact CD1-CG 4.41Å; Y190-L454 HydrophobicContact CE1-CD2 4.2Å; L191-L454 HydrophobicContact CD1-CD2 4.43Å; L191-L454 HydrophobicContact CD2-CD2 3.85Å; L191-L454 HydrophobicContact CG-CD2 4.1Å; W452-L454 PolarHBondContact O-N 3.09Å; L454-Y456 VanDerWaalsContact C-N 3.29Å; L454-Y456 PolarHBondContact O-N 2.98Å; L454-M457 PolarHBondContact O-N 3.12Å; L454-M457 VanDerWaalsContact O-N 3.12Å; L454-L458 HydrophobicContact CD1-CD1 4.37Å; L454-L458 HydrophobicContact CD1-CG 4.4Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 WeakPolarHBondContact O-CG 3.22Å; L454-L458 PolarHBondContact O-N 3.3Å
455	G	96.1	Very high	87.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-36.7	175.8	0	0	0	0	0	112.8	Y183 T187 W452 L458 S459	Y183-G455 WeakPolarHBondContact O-CA 3.48Å; T187-G455 PolarHBondContact OG1-N 3.02Å; W452-G455 PolarHBondContact O-N 3.19Å; G455-L458 PolarHBondContact O-N 3.37Å; G455-S459 PolarHBondContact O-N 2.94Å
456	Y	95.9	Very high	87.2	Confident	20 Å²	20	39 Å²	39	8%	0.078	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-50.1	170.4	-175.3	-93.3	0	0	0	111.2	V55 F133 Y183 W452 L454 L458 S459 M460	V55-Y456 HydrophobicContact CG1-CD1 4.37Å; V55-Y456 HydrophobicContact CG2-CD1 4.13Å; F133-Y456 HydrophobicContact CB-CE1 3.85Å; F133-Y456 AromaticContact CD1-CE1 3.89Å; F133-Y456 HydrophobicContact CD1-CE1 3.89Å; F133-Y456 HydrophobicContact CD2-CE1 4.14Å; F133-Y456 HydrophobicContact CE1-CE1 4.46Å; F133-Y456 AromaticContact CG-CE1 3.71Å; F133-Y456 HydrophobicContact CG-CE1 3.71Å; Y183-Y456 HydrophobicContact CD1-CD2 4.5Å; Y183-Y456 AromaticContact CD2-CD2 3.84Å; Y183-Y456 HydrophobicContact CD2-CD2 3.84Å; Y183-Y456 HydrophobicContact CE1-CD2 4.14Å; Y183-Y456 AromaticContact CE2-CD2 3.44Å; Y183-Y456 HydrophobicContact CE2-CD2 3.44Å; Y183-Y456 VanDerWaalsContact CE2-CD2 3.44Å; Y183-Y456 HydrophobicContact CE2-CE2 4.08Å; Y183-Y456 HydrophobicContact CE2-CG 4.49Å; Y183-Y456 HydrophobicContact CG-CD2 4.39Å; Y183-Y456 AromaticContact CZ-CD2 3.6Å; W452-Y456 HydrophobicContact CE3-CG 4.29Å; W452-Y456 HydrophobicContact CZ3-CD1 4.36Å; W452-Y456 HydrophobicContact CZ3-CD2 4.02Å; W452-Y456 AromaticContact CZ3-CG 3.76Å; W452-Y456 HydrophobicContact CZ3-CG 3.76Å; W452-Y456 PolarHBondContact O-N 3.03Å; L454-Y456 VanDerWaalsContact C-N 3.29Å; L454-Y456 PolarHBondContact O-N 2.98Å; Y456-L458 VanDerWaalsContact C-N 3.35Å; Y456-L458 PolarHBondContact O-N 3.44Å; Y456-S459 PolarHBondContact O-N 2.91Å; Y456-M460 HydrophobicContact CD1-CG 3.85Å; Y456-M460 HydrophobicContact CE1-CG 3.45Å; Y456-M460 VanDerWaalsContact CE1-CG 3.45Å; Y456-M460 HydrophobicContact CE1-SD 4.33Å; Y456-M460 HydrophobicContact CE2-CG 4.32Å; Y456-M460 HydrophobicContact CE2-SD 4.48Å; Y456-M460 HydrophobicContact CG-CG 4.43Å; Y456-M460 WeakPolarHBondContact O-CG 3.31Å; Y456-M460 PolarHBondContact O-N 2.91Å
457	M	95.5	Very high	86.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-39.9	178.8	-175.8	54	62.3	0	0	112.2	V55 Y68 W70 V81 F133 S453 L454 S459 M460 S461 I464	V55-M457 HydrophobicContact CG2-CB 4.14Å; V55-M457 HydrophobicContact CG2-CE 3.37Å; Y68-M457 HydrophobicContact CD2-CB 3.82Å; Y68-M457 HydrophobicContact CD2-CE 4.4Å; Y68-M457 HydrophobicContact CD2-CG 3.84Å; Y68-M457 HydrophobicContact CE2-CB 4.21Å; Y68-M457 HydrophobicContact CG-CB 4.34Å; Y68-M457 HydrophobicContact CG-CG 4.06Å; W70-M457 HydrophobicContact CH2-SD 3.84Å; W70-M457 HydrophobicContact CZ3-CG 4.12Å; W70-M457 HydrophobicContact CZ3-SD 3.76Å; V81-M457 HydrophobicContact CG1-CG 4.09Å; F133-M457 HydrophobicContact CD2-CE 4.01Å; F133-M457 HydrophobicContact CE2-CE 4.08Å; S453-M457 PolarHBondContact O-N 3.48Å; L454-M457 PolarHBondContact O-N 3.12Å; L454-M457 VanDerWaalsContact O-N 3.12Å; M457-S459 PolarHBondContact O-N 3.49Å; M457-M460 PolarHBondContact O-N 3.35Å; M457-S461 WeakPolarHBondContact O-CB 3.34Å; M457-S461 PolarHBondContact O-N 3.47Å; M457-I464 HydrophobicContact SD-CD1 4.34Å
458	L	93.4	Very high	86.5	Confident	1 Å²	1	33 Å²	33	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-47.9	173.6	-76.9	162.3	0	0	0	111.3	T78 G79 V81 I186 Y190 Y244 L454 G455 Y456 M460 S461	T78-L458 HydrophobicContact CG2-CD2 4.44Å; G79-L458 WeakPolarHBondContact O-CD2 3.2Å; V81-L458 HydrophobicContact CB-CD2 3.82Å; V81-L458 HydrophobicContact CB-CG 4.25Å; V81-L458 HydrophobicContact CG2-CD2 3.64Å; V81-L458 HydrophobicContact CG2-CG 4.18Å; I186-L458 HydrophobicContact CG2-CB 4.27Å; I186-L458 HydrophobicContact CG2-CD1 4.01Å; Y190-L458 HydrophobicContact CD1-CD1 3.72Å; Y190-L458 HydrophobicContact CD2-CD1 3.8Å; Y190-L458 HydrophobicContact CD2-CD2 3.95Å; Y190-L458 HydrophobicContact CE1-CD1 4.33Å; Y190-L458 HydrophobicContact CE2-CD1 4.42Å; Y190-L458 HydrophobicContact CE2-CD2 3.88Å; Y190-L458 HydrophobicContact CG-CD1 3.4Å; Y190-L458 VanDerWaalsContact CG-CD1 3.4Å; Y190-L458 HydrophobicContact CG-CD2 4.34Å; Y244-L458 VanDerWaalsContact OH-CD2 3.3Å; Y244-L458 WeakPolarHBondContact OH-CD2 3.04Å; L454-L458 HydrophobicContact CD1-CD1 4.37Å; L454-L458 HydrophobicContact CD1-CG 4.4Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 WeakPolarHBondContact O-CG 3.22Å; L454-L458 PolarHBondContact O-N 3.3Å; G455-L458 PolarHBondContact O-N 3.37Å; Y456-L458 VanDerWaalsContact C-N 3.35Å; Y456-L458 PolarHBondContact O-N 3.44Å; L458-M460 VanDerWaalsContact C-N 3.34Å; L458-M460 PolarHBondContact O-N 3.02Å; L458-S461 WeakPolarHBondContact O-CB 3.34Å; L458-S461 PolarHBondContact O-N 3.14Å; L458-S461 PolarHBondContact O-OG 2.9Å
459	S	91.9	Very high	86.1	Confident	17 Å²	17	38.8 Å²	38.8	12%	0.119	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-38.4	177.5	-172	0	0	0	0	112.4	G455 Y456 M457 S461	G455-S459 PolarHBondContact O-N 2.94Å; Y456-S459 PolarHBondContact O-N 2.91Å; M457-S459 PolarHBondContact O-N 3.49Å; S459-S461 VanDerWaalsContact C-N 3.35Å
460	M	90.8	Very high	85.8	Confident	23 Å²	23	42.2 Å²	42.2	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-74.2	-27.1	177.7	-67.4	-55.6	97	0	0	112.2	F133 Y456 M457 L458 N462 M463 I464	F133-M460 HydrophobicContact CE1-CG 4.47Å; F133-M460 HydrophobicContact CE2-CB 4.49Å; F133-M460 HydrophobicContact CZ-CB 4.32Å; F133-M460 HydrophobicContact CZ-CG 4.25Å; Y456-M460 HydrophobicContact CD1-CG 3.85Å; Y456-M460 HydrophobicContact CE1-CG 3.45Å; Y456-M460 VanDerWaalsContact CE1-CG 3.45Å; Y456-M460 HydrophobicContact CE1-SD 4.33Å; Y456-M460 HydrophobicContact CE2-CG 4.32Å; Y456-M460 HydrophobicContact CE2-SD 4.48Å; Y456-M460 HydrophobicContact CG-CG 4.43Å; Y456-M460 WeakPolarHBondContact O-CG 3.31Å; Y456-M460 PolarHBondContact O-N 2.91Å; M457-M460 PolarHBondContact O-N 3.35Å; L458-M460 VanDerWaalsContact C-N 3.34Å; L458-M460 PolarHBondContact O-N 3.02Å; M460-N462 PolarHBondContact O-N 3.08Å; M460-N462 VanDerWaalsContact O-N 3.12Å; M460-M463 HydrophobicContact CE-CE 4.04Å; M460-M463 PolarHBondContact O-N 3.39Å; M460-M463 HydrophobicContact SD-SD 4.4Å; M460-I464 PolarHBondContact O-N 3.46Å
461	S	87.8	Confident	85.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-29.1	177.1	80.3	0	0	0	0	112	K74 G79 M457 L458 S459 M463 I464	K74-S461 VanDerWaalsContact CE-O 3.26Å; K74-S461 WeakPolarHBondContact CE-O 3.29Å; K74-S461 PolarHBondContact NZ-O 2.7Å; G79-S461 PolarHBondContact N-OG 2.92Å; M457-S461 WeakPolarHBondContact O-CB 3.34Å; M457-S461 PolarHBondContact O-N 3.47Å; L458-S461 WeakPolarHBondContact O-CB 3.34Å; L458-S461 PolarHBondContact O-N 3.14Å; L458-S461 PolarHBondContact O-OG 2.9Å; S459-S461 VanDerWaalsContact C-N 3.35Å; S461-M463 PolarHBondContact O-N 3.05Å; S461-I464 PolarHBondContact O-N 3.2Å
462	N	83.9	Confident	85.1	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	173.2	-71.2	4.8	0	0	0	112.6	K74 E77 T78 K242 M460	K74-N462 PolarHBondContact NZ-O 3.43Å; E77-N462 WeakPolarHBondContact O-CA 3.35Å; E77-N462 PolarHBondContact O-OD1 2.89Å; T78-N462 WeakPolarHBondContact CA-OD1 3.47Å; T78-N462 WeakPolarHBondContact CB-OD1 3.43Å; T78-N462 WeakPolarHBondContact CG2-OD1 3.47Å; T78-N462 PolarHBondContact OG1-OD1 3.34Å; K242-N462 PolarHBondContact O-ND2 2.86Å; M460-N462 PolarHBondContact O-N 3.08Å; M460-N462 VanDerWaalsContact O-N 3.12Å
463	M	77.4	Confident	84.6	Confident	142 Å²	142	49.4 Å²	49.4	70%	0.7	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-17	-175.4	-55.2	-177.4	-166.7	0	0	113.4	M460 S461 P465	M460-M463 HydrophobicContact CE-CE 4.04Å; M460-M463 PolarHBondContact O-N 3.39Å; M460-M463 HydrophobicContact SD-SD 4.4Å; S461-M463 PolarHBondContact O-N 3.05Å; M463-P465 WeakPolarHBondContact O-CD 3.25Å
464	I	76.8	Confident	84.2	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.118	27%	0.268	C	S	.	.	S	Bend	trans	-81.3	117.8	-177	-62	165.3	0	0	0	109.5	W70 K74 P131 M457 M460 S461	W70-I464 HydrophobicContact CH2-CD1 3.62Å; W70-I464 HydrophobicContact CZ2-CB 4.34Å; W70-I464 HydrophobicContact CZ2-CD1 3.66Å; W70-I464 HydrophobicContact CZ2-CG2 4.14Å; K74-I464 WeakPolarHBondContact CE-O 3.43Å; K74-I464 PolarHBondContact NZ-O 3.18Å; P131-I464 HydrophobicContact CG-CD1 3.62Å; P131-I464 HydrophobicContact CG-CG1 4.29Å; M457-I464 HydrophobicContact SD-CD1 4.34Å; M460-I464 PolarHBondContact O-N 3.46Å; S461-I464 PolarHBondContact O-N 3.2Å
465	P	74.9	Confident	83.7	Confident	110 Å²	110	54.7 Å²	54.7	71%	0.714	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-66.8	142.2	179.3	28.2	-33.8	0	0	0	111	M463	M463-P465 WeakPolarHBondContact O-CD 3.25Å
466	S	76.5	Confident	83.3	Confident	38 Å²	38	60.6 Å²	60.6	27%	0.266	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-83	133.6	176.6	-52	0	0	0	0	110.8	G72 K74 V468	G72-S466 WeakPolarHBondContact O-CB 3.46Å; G72-S466 PolarHBondContact O-OG 3.03Å; K74-S466 WeakPolarHBondContact CE-OG 3.05Å; S466-V468 PolarHBondContact O-N 2.94Å
467	E	71.4	Confident	83.1	Confident	85 Å²	85	64.3 Å²	64.3	40%	0.397	35%	0.351	S	S	.	.			trans	-73.1	115.8	167.2	-73	178.3	-158.8	0	0	109.9	E51 K126	E51-E467 WeakPolarHBondContact OE1-CB 3.39Å; E51-E467 PolarHBondContact OE1-N 2.97Å; K126-E467 IonicContact NZ-OE1 3.31Å; K126-E467 PolarHBondContact NZ-OE1 3.11Å; K126-E467 VanDerWaalsContact NZ-OE1 3.11Å; K126-E467 IonicContact NZ-OE2 3.04Å; K126-E467 PolarHBondContact NZ-OE2 3.45Å
468	V	75.1	Confident	82.9	Confident	62 Å²	62	68 Å²	68	38%	0.376	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	179.9	-172.6	0	0	0	0	109.5	K46 Y48 S466	K46-V468 HydrophobicContact CB-CG1 3.74Å; K46-V468 HydrophobicContact CD-CG1 3.89Å; K46-V468 HydrophobicContact CG-CG1 3.69Å; Y48-V468 HydrophobicContact CD1-CG2 3.75Å; Y48-V468 HydrophobicContact CE1-CB 4.33Å; Y48-V468 HydrophobicContact CE1-CG1 4.33Å; Y48-V468 HydrophobicContact CE1-CG2 3.26Å; S466-V468 PolarHBondContact O-N 2.94Å
469	K	75.4	Confident	82.8	Confident	154 Å²	154	70.7 Å²	70.7	67%	0.67	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.3	165.9	-67.3	-177.6	-177.7	176.8	0	108.4	K47 I471	K47-K469 PolarHBondContact N-O 3.2Å; K47-K469 PolarHBondContact O-N 2.87Å; K469-I471 PolarHBondContact O-N 2.91Å
470	E	76.9	Confident	82.8	Confident	120 Å²	120	72.6 Å²	72.6	56%	0.561	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	116.4	169	-66.5	-167.6	169.7	0	0	108.8
471	I	79	Confident	83	Confident	80 Å²	80	73.4 Å²	73.4	41%	0.41	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.5	174.5	-57	-175	0	0	0	107.5	K44 V45 K47 K469	K44-I471 WeakPolarHBondContact CA-O 3.43Å; V45-I471 PolarHBondContact N-O 2.84Å; V45-I471 PolarHBondContact O-N 3.5Å; K47-I471 HydrophobicContact CB-CD1 3.5Å; K47-I471 HydrophobicContact CB-CG1 4.03Å; K47-I471 HydrophobicContact CD-CD1 3.51Å; K47-I471 HydrophobicContact CG-CD1 4.12Å; K469-I471 PolarHBondContact O-N 2.91Å
472	T	83.1	Confident	83.3	Confident	41 Å²	41	75.7 Å²	75.7	25%	0.252	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-80	147.5	171.5	51	0	0	0	0	110.6	Q40 K44 M474	Q40-T472 VanDerWaalsContact NE2-CB 3.25Å; Q40-T472 PolarHBondContact NE2-OG1 2.91Å; K44-T472 HydrophobicContact CG-CG2 4.13Å; T472-M474 PolarHBondContact O-N 3.42Å; T472-M474 PolarHBondContact OG1-O 2.86Å
473	P	83.9	Confident	83.8	Confident	67 Å²	67	75.8 Å²	75.8	44%	0.435	43%	0.428	S	S	.	.	S	Bend	trans	-55.9	-33.8	179.2	-25	32.2	0	0	0	113.9	V39 L43	V39-P473 HydrophobicContact CG1-CB 4.08Å; V39-P473 HydrophobicContact CG1-CG 4.04Å; V39-P473 WeakPolarHBondContact O-CG 3.33Å; L43-P473 HydrophobicContact CB-CG 3.78Å; L43-P473 WeakPolarHBondContact O-CG 3.48Å
474	M	86.3	Confident	84.7	Confident	31 Å²	31	76.6 Å²	76.6	15%	0.153	43%	0.428	C	S	.	.	S	Bend	trans	-116.1	147.2	176.9	-62.8	166.4	-75.7	0	0	110.5	V36 V39 Q40 T472 V478 F479 L482	V36-M474 HydrophobicContact CG1-CE 3.97Å; V36-M474 HydrophobicContact CG1-SD 4.42Å; V39-M474 HydrophobicContact CG1-CE 4.33Å; Q40-M474 HydrophobicContact CB-CE 3.91Å; Q40-M474 HydrophobicContact CG-CE 4.48Å; Q40-M474 PolarHBondContact NE2-O 2.87Å; Q40-M474 VanDerWaalsContact OE1-CE 3.28Å; Q40-M474 VanDerWaalsContact OE1-N 3.1Å; T472-M474 PolarHBondContact O-N 3.42Å; T472-M474 PolarHBondContact OG1-O 2.86Å; M474-V478 HydrophobicContact CB-CB 4.43Å; M474-V478 HydrophobicContact CB-CG1 4.23Å; M474-V478 HydrophobicContact CG-CG1 4.29Å; M474-F479 HydrophobicContact CB-CB 4.29Å; M474-F479 HydrophobicContact CE-CD2 3.96Å; M474-L482 HydrophobicContact SD-CD1 3.58Å; M474-L482 VanDerWaalsContact SD-CD1 3.58Å
475	T	86.4	Confident	85.6	Confident	88 Å²	88	79.7 Å²	79.7	54%	0.54	44%	0.444	S	S	.	.			trans	-68.1	153.2	170.1	60.9	0	0	0	0	110.4	P477 V478 F479	T475-P477 VanDerWaalsContact C-CD 3.41Å; T475-P477 VanDerWaalsContact C-N 3.31Å; T475-V478 PolarHBondContact O-N 3.14Å; T475-V478 VanDerWaalsContact O-N 3.07Å; T475-V478 VanDerWaalsContact OG1-CG2 3.29Å; T475-V478 WeakPolarHBondContact OG1-CG2 3.44Å; T475-F479 PolarHBondContact O-N 3.27Å
476	N	86.9	Confident	86.5	Confident	124 Å²	124	76.7 Å²	76.7	66%	0.663	42%	0.42	S	S	*	.	H	α-helix	trans	-50.7	-42.6	-179.6	-66.5	-11.7	0	0	0	113.8	A480	N476-A480 VanDerWaalsContact O-CB 3.32Å; N476-A480 WeakPolarHBondContact O-CB 3.39Å; N476-A480 PolarHBondContact O-N 2.95Å
477	P	91.6	Very high	87.4	Confident	99 Å²	99	76.9 Å²	76.9	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-66.8	-40.2	178.3	-20.5	33.7	0	0	0	113.2	T475 G481	T475-P477 VanDerWaalsContact C-CD 3.41Å; T475-P477 VanDerWaalsContact C-N 3.31Å; P477-G481 PolarHBondContact O-N 3.41Å
478	V	91.1	Very high	88.5	Confident	77 Å²	77	74.6 Å²	74.6	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-67	-44.9	179.5	173.1	0	0	0	0	110.2	M474 T475 G481 L482	M474-V478 HydrophobicContact CB-CB 4.43Å; M474-V478 HydrophobicContact CB-CG1 4.23Å; M474-V478 HydrophobicContact CG-CG1 4.29Å; T475-V478 PolarHBondContact O-N 3.14Å; T475-V478 VanDerWaalsContact O-N 3.07Å; T475-V478 VanDerWaalsContact OG1-CG2 3.29Å; T475-V478 WeakPolarHBondContact OG1-CG2 3.44Å; V478-G481 PolarHBondContact O-N 3.01Å; V478-L482 HydrophobicContact CG1-CD1 4.06Å; V478-L482 WeakPolarHBondContact O-CG 3.48Å; V478-L482 PolarHBondContact O-N 2.94Å
479	F	92.6	Very high	89.3	Confident	58 Å²	58	74.9 Å²	74.9	25%	0.254	42%	0.416	S	S	.	.	H	α-helix	trans	-60.8	-49.8	176.9	177.7	-112.9	0	0	0	111.7	V36 Q40 M474 T475 G481 L482 I483	V36-F479 HydrophobicContact CG1-CD2 3.8Å; V36-F479 HydrophobicContact CG1-CE2 3.81Å; Q40-F479 HydrophobicContact CB-CD2 3.76Å; Q40-F479 HydrophobicContact CB-CE2 3.53Å; Q40-F479 HydrophobicContact CB-CZ 4.19Å; Q40-F479 HydrophobicContact CG-CD1 4.27Å; Q40-F479 HydrophobicContact CG-CD2 3.58Å; Q40-F479 HydrophobicContact CG-CE1 4.32Å; Q40-F479 HydrophobicContact CG-CE2 3.63Å; Q40-F479 HydrophobicContact CG-CG 3.91Å; Q40-F479 HydrophobicContact CG-CZ 4.02Å; M474-F479 HydrophobicContact CB-CB 4.29Å; M474-F479 HydrophobicContact CE-CD2 3.96Å; T475-F479 PolarHBondContact O-N 3.27Å; F479-G481 VanDerWaalsContact C-N 3.31Å; F479-G481 PolarHBondContact O-N 2.88Å; F479-L482 PolarHBondContact O-N 3.38Å; F479-I483 HydrophobicContact CD2-CG1 4.19Å; F479-I483 HydrophobicContact CE1-CG1 4.13Å; F479-I483 HydrophobicContact CE2-CD1 3.92Å; F479-I483 HydrophobicContact CE2-CG1 3.8Å; F479-I483 HydrophobicContact CZ-CD1 3.99Å; F479-I483 HydrophobicContact CZ-CG1 3.76Å; F479-I483 WeakPolarHBondContact O-CG1 3.48Å; F479-I483 PolarHBondContact O-N 3.07Å
480	A	91.6	Very high	90.2	Very high	57 Å²	57	69.4 Å²	69.4	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-41.6	177.6	0	0	0	0	0	112	N476 I483 F484	N476-A480 VanDerWaalsContact O-CB 3.32Å; N476-A480 WeakPolarHBondContact O-CB 3.39Å; N476-A480 PolarHBondContact O-N 2.95Å; A480-I483 PolarHBondContact O-N 2.92Å; A480-F484 WeakPolarHBondContact O-CB 3.25Å; A480-F484 PolarHBondContact O-N 3.05Å
481	G	94.6	Very high	91	Very high	39 Å²	39	69 Å²	69	40%	0.402	39%	0.394	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.5	0	0	0	0	0	113.1	P477 V478 F479 F484 L485	P477-G481 PolarHBondContact O-N 3.41Å; V478-G481 PolarHBondContact O-N 3.01Å; F479-G481 VanDerWaalsContact C-N 3.31Å; F479-G481 PolarHBondContact O-N 2.88Å; G481-F484 PolarHBondContact O-N 3.37Å; G481-L485 VanDerWaalsContact O-CB 3.3Å; G481-L485 WeakPolarHBondContact O-CB 3.43Å; G481-L485 PolarHBondContact O-N 3.34Å
482	L	94.1	Very high	91.7	Very high	49 Å²	49	69.2 Å²	69.2	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-42.3	178.1	-71	171.8	0	0	0	112.4	V36 M474 V478 F479 F484 L485 F486	V36-L482 HydrophobicContact CG1-CB 4.1Å; V36-L482 HydrophobicContact CG1-CD1 4.44Å; V36-L482 HydrophobicContact CG2-CD1 4.39Å; M474-L482 HydrophobicContact SD-CD1 3.58Å; M474-L482 VanDerWaalsContact SD-CD1 3.58Å; V478-L482 HydrophobicContact CG1-CD1 4.06Å; V478-L482 WeakPolarHBondContact O-CG 3.48Å; V478-L482 PolarHBondContact O-N 2.94Å; F479-L482 PolarHBondContact O-N 3.38Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 2.92Å; L482-L485 PolarHBondContact O-N 3.24Å; L482-F486 HydrophobicContact CB-CD2 4.49Å; L482-F486 HydrophobicContact CB-CE2 4.38Å; L482-F486 HydrophobicContact CD2-CE2 4.1Å; L482-F486 WeakPolarHBondContact O-CD2 3.24Å; L482-F486 PolarHBondContact O-N 3.49Å
483	I	94.9	Very high	92.1	Very high	47 Å²	47	67.8 Å²	67.8	24%	0.241	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-45.9	174.7	-67.9	-65	0	0	0	110.3	L33 V36 F479 A480 S487	L33-I483 HydrophobicContact CD1-CD1 4.49Å; L33-I483 HydrophobicContact CG-CD1 4.31Å; V36-I483 HydrophobicContact CG1-CD1 4.12Å; F479-I483 HydrophobicContact CD2-CG1 4.19Å; F479-I483 HydrophobicContact CE1-CG1 4.13Å; F479-I483 HydrophobicContact CE2-CD1 3.92Å; F479-I483 HydrophobicContact CE2-CG1 3.8Å; F479-I483 HydrophobicContact CZ-CD1 3.99Å; F479-I483 HydrophobicContact CZ-CG1 3.76Å; F479-I483 WeakPolarHBondContact O-CG1 3.48Å; F479-I483 PolarHBondContact O-N 3.07Å; A480-I483 PolarHBondContact O-N 2.92Å; I483-S487 WeakPolarHBondContact O-CB 3.42Å; I483-S487 PolarHBondContact O-N 3.2Å; I483-S487 PolarHBondContact O-OG 3.06Å
484	F	95.4	Very high	92.4	Very high	159 Å²	159	66.8 Å²	66.8	70%	0.697	39%	0.388	S	S	*	.	H	α-helix	trans	-61.6	-47.8	176.9	179.7	-98.2	0	0	0	111.8	A480 G481 L482 S487 A488	A480-F484 WeakPolarHBondContact O-CB 3.25Å; A480-F484 PolarHBondContact O-N 3.05Å; G481-F484 PolarHBondContact O-N 3.37Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 2.92Å; F484-S487 PolarHBondContact O-N 2.89Å; F484-A488 WeakPolarHBondContact O-CB 3.28Å; F484-A488 PolarHBondContact O-N 3.04Å
485	L	95.4	Very high	92.7	Very high	89 Å²	89	69 Å²	69	47%	0.466	40%	0.403	S	S	.	.	H	α-helix	trans	-57.7	-52.8	-179.6	178.1	66.2	0	0	0	111.9	G481 L482 A488 L489	G481-L485 VanDerWaalsContact O-CB 3.3Å; G481-L485 WeakPolarHBondContact O-CB 3.43Å; G481-L485 PolarHBondContact O-N 3.34Å; L482-L485 PolarHBondContact O-N 3.24Å; L485-A488 PolarHBondContact O-N 3.02Å; L485-L489 PolarHBondContact O-N 2.87Å
486	F	95.1	Very high	92.7	Very high	46 Å²	46	68.9 Å²	68.9	20%	0.202	40%	0.398	C	S	.	.	H	α-helix	trans	-70.7	-34.4	-178.2	-67.4	-59.1	0	0	0	112.2	A32 L33 V36 L482 L489 I490	A32-F486 HydrophobicContact CB-CD1 3.91Å; A32-F486 HydrophobicContact CB-CD2 4.28Å; A32-F486 HydrophobicContact CB-CE1 3.66Å; A32-F486 HydrophobicContact CB-CE2 4.06Å; A32-F486 HydrophobicContact CB-CG 4.23Å; A32-F486 HydrophobicContact CB-CZ 3.75Å; L33-F486 HydrophobicContact CB-CB 4.02Å; L33-F486 HydrophobicContact CD1-CB 3.99Å; V36-F486 HydrophobicContact CG2-CD2 4.45Å; V36-F486 HydrophobicContact CG2-CE2 4.06Å; L482-F486 HydrophobicContact CB-CD2 4.49Å; L482-F486 HydrophobicContact CB-CE2 4.38Å; L482-F486 HydrophobicContact CD2-CE2 4.1Å; L482-F486 WeakPolarHBondContact O-CD2 3.24Å; L482-F486 PolarHBondContact O-N 3.49Å; F486-L489 PolarHBondContact O-N 3.48Å; F486-I490 WeakPolarHBondContact O-CD1 3.35Å; F486-I490 WeakPolarHBondContact O-CG1 3.37Å; F486-I490 PolarHBondContact O-N 2.76Å
487	S	93.9	Very high	92.8	Very high	43 Å²	43	63.8 Å²	63.8	30%	0.301	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-45.1	173.1	-58.9	0	0	0	0	111.5	L33 I483 F484 L489 I490 I491	L33-S487 WeakPolarHBondContact CD1-OG 3.33Å; I483-S487 WeakPolarHBondContact O-CB 3.42Å; I483-S487 PolarHBondContact O-N 3.2Å; I483-S487 PolarHBondContact O-OG 3.06Å; F484-S487 PolarHBondContact O-N 2.89Å; S487-L489 VanDerWaalsContact C-N 3.34Å; S487-L489 PolarHBondContact O-N 2.87Å; S487-I490 PolarHBondContact O-N 3.22Å; S487-I491 WeakPolarHBondContact O-CG1 3.36Å; S487-I491 PolarHBondContact O-N 3.37Å
488	A	94.4	Very high	92.5	Very high	36 Å²	36	65.3 Å²	65.3	30%	0.298	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-41	175.3	0	0	0	0	0	111.5	F484 L485 I490 I491 V492	F484-A488 WeakPolarHBondContact O-CB 3.28Å; F484-A488 PolarHBondContact O-N 3.04Å; L485-A488 PolarHBondContact O-N 3.02Å; A488-I490 PolarHBondContact O-N 2.93Å; A488-I491 PolarHBondContact O-N 2.8Å; A488-V492 VanDerWaalsContact O-CG2 3.32Å; A488-V492 WeakPolarHBondContact O-CG2 3.25Å; A488-V492 PolarHBondContact O-N 3.18Å
489	L	93.4	Very high	92.3	Very high	68 Å²	68	65.1 Å²	65.1	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177.4	-137.7	110.7	0	0	0	112	S29 L485 F486 S487 V492 T493	S29-L489 WeakPolarHBondContact OG-CD2 3.38Å; L485-L489 PolarHBondContact O-N 2.87Å; F486-L489 PolarHBondContact O-N 3.48Å; S487-L489 VanDerWaalsContact C-N 3.34Å; S487-L489 PolarHBondContact O-N 2.87Å; L489-V492 PolarHBondContact O-N 3.08Å; L489-T493 HydrophobicContact CD2-CG2 4.45Å; L489-T493 VanDerWaalsContact O-CB 3.32Å; L489-T493 WeakPolarHBondContact O-CB 3.09Å; L489-T493 VanDerWaalsContact O-CG2 3.24Å; L489-T493 WeakPolarHBondContact O-CG2 3.46Å; L489-T493 PolarHBondContact O-N 3.12Å; L489-T493 PolarHBondContact O-OG1 3.18Å
490	I	93.9	Very high	91.9	Very high	39 Å²	39	64.4 Å²	64.4	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-47.6	174.5	-69.7	164.2	0	0	0	110.4	L26 I30 L33 F486 S487 A488 T493 A494	L26-I490 HydrophobicContact CD1-CB 4.36Å; L26-I490 HydrophobicContact CD1-CG2 3.85Å; I30-I490 HydrophobicContact CG1-CD1 3.77Å; I30-I490 HydrophobicContact CG1-CG1 4Å; L33-I490 HydrophobicContact CD1-CD1 4.33Å; F486-I490 WeakPolarHBondContact O-CD1 3.35Å; F486-I490 WeakPolarHBondContact O-CG1 3.37Å; F486-I490 PolarHBondContact O-N 2.76Å; S487-I490 PolarHBondContact O-N 3.22Å; A488-I490 PolarHBondContact O-N 2.93Å; I490-T493 WeakPolarHBondContact CA-OG1 3.48Å; I490-T493 PolarHBondContact O-N 3.24Å; I490-T493 PolarHBondContact O-OG1 3.33Å; I490-T493 VanDerWaalsContact O-OG1 3.08Å; I490-A494 WeakPolarHBondContact O-CB 3.49Å; I490-A494 PolarHBondContact O-N 2.86Å
491	I	93.6	Very high	91.4	Very high	111 Å²	111	66.4 Å²	66.4	57%	0.569	37%	0.368	S	S	*	.	H	α-helix	trans	-62.1	-49.4	179.7	-66.4	165.5	0	0	0	110.5	S487 A488 T493 A494 V495	S487-I491 WeakPolarHBondContact O-CG1 3.36Å; S487-I491 PolarHBondContact O-N 3.37Å; A488-I491 PolarHBondContact O-N 2.8Å; I491-T493 PolarHBondContact O-N 3.07Å; I491-A494 PolarHBondContact O-N 2.65Å; I491-V495 VanDerWaalsContact O-CG2 3.29Å; I491-V495 WeakPolarHBondContact O-CG2 3.25Å; I491-V495 PolarHBondContact O-N 2.96Å
492	V	93.1	Very high	90.9	Very high	86 Å²	86	68.1 Å²	68.1	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-44.8	-179.3	171.8	0	0	0	0	111.2	A488 L489 V495 L496	A488-V492 VanDerWaalsContact O-CG2 3.32Å; A488-V492 WeakPolarHBondContact O-CG2 3.25Å; A488-V492 PolarHBondContact O-N 3.18Å; L489-V492 PolarHBondContact O-N 3.08Å; V492-V495 PolarHBondContact O-N 2.87Å; V492-L496 HydrophobicContact CG1-CD1 3.87Å; V492-L496 HydrophobicContact CG1-CG 4.41Å; V492-L496 WeakPolarHBondContact O-CB 3.46Å; V492-L496 VanDerWaalsContact O-CG 3.26Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.49Å
493	T	91.9	Very high	90.2	Very high	10 Å²	10	75 Å²	75	6%	0.061	39%	0.39	C	S	.	.	H	α-helix	trans	-68	-36.9	179.2	52.3	0	0	0	0	112.4	V22 L25 L26 L489 I490 I491 L496 G497	V22-T493 WeakPolarHBondContact CG1-O 3.39Å; L25-T493 HydrophobicContact CB-CG2 4.06Å; L26-T493 WeakPolarHBondContact CD1-OG1 3.48Å; L489-T493 HydrophobicContact CD2-CG2 4.45Å; L489-T493 VanDerWaalsContact O-CB 3.32Å; L489-T493 WeakPolarHBondContact O-CB 3.09Å; L489-T493 VanDerWaalsContact O-CG2 3.24Å; L489-T493 WeakPolarHBondContact O-CG2 3.46Å; L489-T493 PolarHBondContact O-N 3.12Å; L489-T493 PolarHBondContact O-OG1 3.18Å; I490-T493 WeakPolarHBondContact CA-OG1 3.48Å; I490-T493 PolarHBondContact O-N 3.24Å; I490-T493 PolarHBondContact O-OG1 3.33Å; I490-T493 VanDerWaalsContact O-OG1 3.08Å; I491-T493 PolarHBondContact O-N 3.07Å; T493-L496 PolarHBondContact O-N 3.16Å; T493-G497 PolarHBondContact O-N 3.28Å
494	A	89.9	Confident	89.3	Confident	46 Å²	46	76.4 Å²	76.4	38%	0.38	40%	0.397	S	S	.	.	H	α-helix	trans	-64	-45.3	173.8	0	0	0	0	0	111.9	I490 I491 G497 F498	I490-A494 WeakPolarHBondContact O-CB 3.49Å; I490-A494 PolarHBondContact O-N 2.86Å; I491-A494 PolarHBondContact O-N 2.65Å; A494-G497 PolarHBondContact O-N 2.93Å; A494-F498 WeakPolarHBondContact O-CB 3.46Å; A494-F498 PolarHBondContact O-N 2.88Å
495	V	91.8	Very high	88.1	Confident	79 Å²	79	73.8 Å²	73.8	48%	0.479	40%	0.398	S	S	.	.	H	α-helix	trans	-62.7	-45	175.9	171.3	0	0	0	0	111	I491 V492 G497 F498 I499	I491-V495 VanDerWaalsContact O-CG2 3.29Å; I491-V495 WeakPolarHBondContact O-CG2 3.25Å; I491-V495 PolarHBondContact O-N 2.96Å; V492-V495 PolarHBondContact O-N 2.87Å; V495-G497 VanDerWaalsContact C-N 3.35Å; V495-G497 PolarHBondContact O-N 2.83Å; V495-F498 WeakPolarHBondContact O-CB 3.17Å; V495-F498 PolarHBondContact O-N 2.97Å; V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 HydrophobicContact CG1-CG1 4.47Å; V495-I499 VanDerWaalsContact O-CG1 3.3Å; V495-I499 WeakPolarHBondContact O-CG1 3.38Å; V495-I499 PolarHBondContact O-N 2.95Å
496	L	88.4	Confident	86.1	Confident	84 Å²	84	81.3 Å²	81.3	44%	0.44	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-41.8	176	-74	170.8	0	0	0	112	V492 T493 F498 I499 I500	V492-L496 HydrophobicContact CG1-CD1 3.87Å; V492-L496 HydrophobicContact CG1-CG 4.41Å; V492-L496 WeakPolarHBondContact O-CB 3.46Å; V492-L496 VanDerWaalsContact O-CG 3.26Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.49Å; T493-L496 PolarHBondContact O-N 3.16Å; L496-F498 VanDerWaalsContact C-N 3.33Å; L496-I499 PolarHBondContact O-N 2.96Å; L496-I500 WeakPolarHBondContact O-CB 3.44Å; L496-I500 WeakPolarHBondContact O-CD1 3.49Å; L496-I500 VanDerWaalsContact O-CG1 3.25Å; L496-I500 WeakPolarHBondContact O-CG1 3.33Å; L496-I500 PolarHBondContact O-N 2.88Å
497	G	87.3	Confident	85.7	Confident	17 Å²	17	83.1 Å²	83.1	18%	0.175	43%	0.432	C	S	.	.	H	α-helix	trans	-59.7	-44.4	174	0	0	0	0	0	111.8	T493 A494 V495 I500 L501	T493-G497 PolarHBondContact O-N 3.28Å; A494-G497 PolarHBondContact O-N 2.93Å; V495-G497 VanDerWaalsContact C-N 3.35Å; V495-G497 PolarHBondContact O-N 2.83Å; G497-I500 PolarHBondContact O-N 3.07Å; G497-L501 WeakPolarHBondContact O-CB 3.44Å; G497-L501 WeakPolarHBondContact O-CG 3.47Å; G497-L501 PolarHBondContact O-N 2.91Å
498	F	86.5	Confident	85.2	Confident	131 Å²	131	85.2 Å²	85.2	58%	0.575	44%	0.439	S	S	*	.	H	α-helix	trans	-63.4	-44.1	176.8	-173.2	-107.4	0	0	0	112.6	A494 V495 L496 I500 L501 I502	A494-F498 WeakPolarHBondContact O-CB 3.46Å; A494-F498 PolarHBondContact O-N 2.88Å; V495-F498 WeakPolarHBondContact O-CB 3.17Å; V495-F498 PolarHBondContact O-N 2.97Å; L496-F498 VanDerWaalsContact C-N 3.33Å; F498-I500 VanDerWaalsContact C-N 3.34Å; F498-I500 PolarHBondContact O-N 3.46Å; F498-L501 WeakPolarHBondContact O-CB 3.48Å; F498-L501 PolarHBondContact O-N 3.23Å; F498-I502 HydrophobicContact CD1-CD1 3.69Å; F498-I502 HydrophobicContact CD1-CG1 4.5Å; F498-I502 HydrophobicContact CE1-CD1 3.26Å; F498-I502 HydrophobicContact CE1-CG1 4.25Å; F498-I502 HydrophobicContact CE2-CD1 4.45Å; F498-I502 HydrophobicContact CG-CD1 4.46Å; F498-I502 HydrophobicContact CZ-CD1 3.69Å; F498-I502 HydrophobicContact CZ-CG1 4.34Å; F498-I502 WeakPolarHBondContact O-CG1 3.42Å; F498-I502 PolarHBondContact O-N 3.1Å
499	I	87.1	Confident	84.7	Confident	73 Å²	73	87.9 Å²	87.9	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.5	-68.1	166	0	0	0	111.1	V495 L496 I502 R503	V495-I499 HydrophobicContact CG1-CD1 3.86Å; V495-I499 HydrophobicContact CG1-CG1 4.47Å; V495-I499 VanDerWaalsContact O-CG1 3.3Å; V495-I499 WeakPolarHBondContact O-CG1 3.38Å; V495-I499 PolarHBondContact O-N 2.95Å; L496-I499 PolarHBondContact O-N 2.96Å; I499-I502 PolarHBondContact O-N 3.01Å; I499-R503 WeakPolarHBondContact O-CG 3.32Å; I499-R503 PolarHBondContact O-N 3.23Å
500	I	84.4	Confident	84.2	Confident	44 Å²	44	89.1 Å²	89.1	23%	0.226	45%	0.452	C	S	.	.	H	α-helix	trans	-64.9	-41.6	177.5	-70.9	165	0	0	0	110.7	I19 V22 L496 G497 F498 R503 I504	I19-I500 HydrophobicContact CD1-CG2 4.42Å; I19-I500 HydrophobicContact CG1-CG2 3.77Å; V22-I500 HydrophobicContact CG2-CD1 3.92Å; L496-I500 WeakPolarHBondContact O-CB 3.44Å; L496-I500 WeakPolarHBondContact O-CD1 3.49Å; L496-I500 VanDerWaalsContact O-CG1 3.25Å; L496-I500 WeakPolarHBondContact O-CG1 3.33Å; L496-I500 PolarHBondContact O-N 2.88Å; G497-I500 PolarHBondContact O-N 3.07Å; F498-I500 VanDerWaalsContact C-N 3.34Å; F498-I500 PolarHBondContact O-N 3.46Å; I500-R503 PolarHBondContact O-N 3.46Å; I500-I504 HydrophobicContact CG2-CD1 3.73Å; I500-I504 WeakPolarHBondContact O-CD1 3.47Å; I500-I504 VanDerWaalsContact O-CG1 3.24Å; I500-I504 WeakPolarHBondContact O-CG1 3.24Å; I500-I504 PolarHBondContact O-N 3.46Å
501	L	81	Confident	83.6	Confident	98 Å²	98	92.2 Å²	92.2	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-60.2	-49	174.8	-84.9	158.5	0	0	0	111.7	G497 F498 R503 I504 C505	G497-L501 WeakPolarHBondContact O-CB 3.44Å; G497-L501 WeakPolarHBondContact O-CG 3.47Å; G497-L501 PolarHBondContact O-N 2.91Å; F498-L501 WeakPolarHBondContact O-CB 3.48Å; F498-L501 PolarHBondContact O-N 3.23Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.23Å; L501-I504 PolarHBondContact O-N 2.94Å; L501-C505 PolarHBondContact O-N 2.99Å; L501-C505 PolarHBondContact O-SG 2.83Å; L501-C505 VanDerWaalsContact O-SG 3.4Å
502	I	82.6	Confident	82.9	Confident	75 Å²	75	90.9 Å²	90.9	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-56.4	-46.2	177	-71.9	173.7	0	0	0	111	F498 I499 I504 C505 Y506	F498-I502 HydrophobicContact CD1-CD1 3.69Å; F498-I502 HydrophobicContact CD1-CG1 4.5Å; F498-I502 HydrophobicContact CE1-CD1 3.26Å; F498-I502 HydrophobicContact CE1-CG1 4.25Å; F498-I502 HydrophobicContact CE2-CD1 4.45Å; F498-I502 HydrophobicContact CG-CD1 4.46Å; F498-I502 HydrophobicContact CZ-CD1 3.69Å; F498-I502 HydrophobicContact CZ-CG1 4.34Å; F498-I502 WeakPolarHBondContact O-CG1 3.42Å; F498-I502 PolarHBondContact O-N 3.1Å; I499-I502 PolarHBondContact O-N 3.01Å; I502-I504 PolarHBondContact O-N 3.31Å; I502-C505 PolarHBondContact O-N 3.37Å; I502-Y506 HydrophobicContact CG2-CD2 4.3Å; I502-Y506 PolarHBondContact O-N 3.36Å
503	R	80.7	Confident	82.2	Confident	194 Å²	194	91.3 Å²	91.3	73%	0.732	46%	0.457	S	S	*	.	H	α-helix	trans	-69.9	-8	179.1	-74.6	-174.4	176.5	-172.8	0.5	115.2	I499 I500 L501	I499-R503 WeakPolarHBondContact O-CG 3.32Å; I499-R503 PolarHBondContact O-N 3.23Å; I500-R503 PolarHBondContact O-N 3.46Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.23Å
504	I	75.2	Confident	81.5	Confident	77 Å²	77	97.5 Å²	97.5	40%	0.395	49%	0.488	S	S	.	.	H	α-helix	trans	-99.5	-33.1	174.4	-70.4	165.8	0	0	0	109.9	Y15 I19 I500 L501 I502	Y15-I504 HydrophobicContact CD2-CD1 3.87Å; I19-I504 HydrophobicContact CD1-CD1 3.44Å; I19-I504 VanDerWaalsContact CD1-CD1 3.44Å; I19-I504 HydrophobicContact CG1-CD1 4.21Å; I500-I504 HydrophobicContact CG2-CD1 3.73Å; I500-I504 WeakPolarHBondContact O-CD1 3.47Å; I500-I504 VanDerWaalsContact O-CG1 3.24Å; I500-I504 WeakPolarHBondContact O-CG1 3.24Å; I500-I504 PolarHBondContact O-N 3.46Å; L501-I504 PolarHBondContact O-N 2.94Å; I502-I504 PolarHBondContact O-N 3.31Å
505	C	69.6	Low	80.8	Confident	104 Å²	104	101.8 Å²	101.8	70%	0.703	50%	0.497	S	S	*	.	H	α-helix	trans	-81.3	-26.1	178.9	-67	0	0	0	0	113.7	L501 I502	L501-C505 PolarHBondContact O-N 2.99Å; L501-C505 PolarHBondContact O-SG 2.83Å; L501-C505 VanDerWaalsContact O-SG 3.4Å; I502-C505 PolarHBondContact O-N 3.37Å
506	Y	54.5	Low	79.8	Confident	246 Å²	246	103.9 Å²	103.9	97%	0.965	50%	0.498	S	S	*	.			trans	-116.2	0	171.3	-74	-89.4	0	0	0	109.4	I502	I502-Y506 HydrophobicContact CG2-CD2 4.3Å; I502-Y506 PolarHBondContact O-N 3.36Å

Retrieved 506 of 506 residues in 162.3 ms (Link to these results)

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