A0A061HZ47_CRIGR Loading...

Zinc finger and BTB domain-containing protein 1

Acts as a transcriptional repressor. Represses cAMP-responsive element (CRE)-mediated transcriptional activation. In addition, has a role in translesion DNA synthesis. Requires for UV-inducible RAD18 loading, PCNA monoubiquitination, POLH recruitment to replication factories and efficient translesion DNA synthesis. Plays a key role in the transcriptional regulation of T lymphocyte development.

AlphaFold DB , UniProt , Accession A0A061HZ47, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Zbtb1, Length 644 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	36.1	Very low	37.3	Very low	247 Å²	247	119.7 Å²	119.7	100%	1.217	65%	0.653	S	S	*	*				0	131.5	0	-69.6	165.7	173.8	0	0	107.7
2	A	34.5	Very low	37.4	Very low	102 Å²	102	120.1 Å²	120.1	84%	0.843	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-73.1	143.3	179.3	0	0	0	0	0	110.6
3	K	38	Very low	37.6	Very low	199 Å²	199	118.4 Å²	118.4	87%	0.865	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-71.9	138.6	168.2	-64.6	-179.8	179.8	180	0	108.3
4	P	38.3	Very low	37.4	Very low	110 Å²	110	116.9 Å²	116.9	71%	0.714	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-60.6	141.9	170.9	27.1	-33.8	0	0	0	109.6
5	S	42.3	Very low	37.1	Very low	64 Å²	64	114.8 Å²	114.8	45%	0.448	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-65.4	149.8	178	57.9	0	0	0	0	111	S7 S8 Y9	S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 3.14Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S5-S7 PolarHBondContact OG-OG 3.28Å; S5-S8 WeakPolarHBondContact O-CB 3.4Å; S5-S8 PolarHBondContact O-N 3.24Å; S5-Y9 PolarHBondContact O-N 2.91Å
6	H	35.6	Very low	37.1	Very low	156 Å²	156	112.1 Å²	112.1	72%	0.722	60%	0.599	S	S	*	*	H	α-helix	trans	-54	-34.6	175.2	-171.9	-99.7	0	0	0	112.1	S8 Y9 V10	H6-S8 VanDerWaalsContact C-N 3.34Å; H6-S8 PolarHBondContact O-N 2.87Å; H6-Y9 PolarHBondContact O-N 3.43Å; H6-V10 WeakPolarHBondContact O-CG2 3.18Å; H6-V10 PolarHBondContact O-N 2.62Å
7	S	35.4	Very low	37.3	Very low	70 Å²	70	113.5 Å²	113.5	49%	0.49	60%	0.6	S	S	.	*	H	α-helix	trans	-59.8	-37.2	173.1	51.9	0	0	0	0	113.9	S5 L11	S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 3.14Å; S5-S7 VanDerWaalsContact O-N 3.15Å; S5-S7 PolarHBondContact OG-OG 3.28Å; S7-L11 VanDerWaalsContact O-CB 3.26Å; S7-L11 WeakPolarHBondContact O-CB 3.47Å; S7-L11 VanDerWaalsContact O-CG 3.23Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 2.72Å
8	S	34.4	Very low	37.1	Very low	57 Å²	57	118.9 Å²	118.9	40%	0.399	61%	0.611	S	S	.	*	H	α-helix	trans	-69.6	-42.8	178.2	-174.1	0	0	0	0	111.5	S5 H6 L11 Q12	S5-S8 WeakPolarHBondContact O-CB 3.4Å; S5-S8 PolarHBondContact O-N 3.24Å; H6-S8 VanDerWaalsContact C-N 3.34Å; H6-S8 PolarHBondContact O-N 2.87Å; S8-L11 PolarHBondContact O-N 3.29Å; S8-Q12 WeakPolarHBondContact O-CB 2.95Å; S8-Q12 PolarHBondContact O-N 2.63Å
9	Y	42	Very low	36.8	Very low	144 Å²	144	120.6 Å²	120.6	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-63.1	-43.9	175.4	-177.5	-98.1	0	0	0	112.2	S5 H6 Q12 Q13	S5-Y9 PolarHBondContact O-N 2.91Å; H6-Y9 PolarHBondContact O-N 3.43Å; Y9-Q12 PolarHBondContact O-N 3.11Å; Y9-Q13 HydrophobicContact CE1-CG 4.18Å; Y9-Q13 VanDerWaalsContact CE1-OE1 3.31Å; Y9-Q13 PolarHBondContact O-N 3.07Å
10	V	37.1	Very low	36.8	Very low	54 Å²	54	123.1 Å²	123.1	33%	0.327	62%	0.618	S	S	.	*	H	α-helix	trans	-66.1	-43.1	176.1	171.8	0	0	0	0	111.6	H6 Q12 Q13 L14	H6-V10 WeakPolarHBondContact O-CG2 3.18Å; H6-V10 PolarHBondContact O-N 2.62Å; V10-Q12 VanDerWaalsContact C-N 3.3Å; V10-Q12 PolarHBondContact O-N 3.32Å; V10-Q13 PolarHBondContact O-N 3.39Å; V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.47Å; V10-L14 WeakPolarHBondContact O-CB 2.99Å; V10-L14 WeakPolarHBondContact O-CG 3.42Å; V10-L14 PolarHBondContact O-N 3.26Å
11	L	36.7	Very low	36.5	Very low	114 Å²	114	120.4 Å²	120.4	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-62.1	-37.1	174.3	-78	168.6	0	0	0	111.9	S7 S8 L14 N15	S7-L11 VanDerWaalsContact O-CB 3.26Å; S7-L11 WeakPolarHBondContact O-CB 3.47Å; S7-L11 VanDerWaalsContact O-CG 3.23Å; S7-L11 WeakPolarHBondContact O-CG 3.37Å; S7-L11 PolarHBondContact O-N 2.72Å; S8-L11 PolarHBondContact O-N 3.29Å; L11-L14 PolarHBondContact O-N 3.01Å; L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 3.18Å
12	Q	39	Very low	36.3	Very low	124 Å²	124	115.6 Å²	115.6	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-71.5	-36.6	175.4	-168	156.4	15.1	0	0	112.1	S8 Y9 V10 N15 N16	S8-Q12 WeakPolarHBondContact O-CB 2.95Å; S8-Q12 PolarHBondContact O-N 2.63Å; Y9-Q12 PolarHBondContact O-N 3.11Å; V10-Q12 VanDerWaalsContact C-N 3.3Å; V10-Q12 PolarHBondContact O-N 3.32Å; Q12-N15 PolarHBondContact O-N 3.01Å; Q12-N16 VanDerWaalsContact O-CB 3.3Å; Q12-N16 WeakPolarHBondContact O-CB 3.46Å; Q12-N16 PolarHBondContact O-N 3.45Å; Q12-N16 PolarHBondContact O-OD1 3.07Å; Q12-N16 VanDerWaalsContact O-OD1 3.04Å
13	Q	39.3	Very low	36.2	Very low	98 Å²	98	117 Å²	117	46%	0.458	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-38.9	170	-76.7	-171.9	-52.6	0	0	112.5	Y9 V10 Q17	Y9-Q13 HydrophobicContact CE1-CG 4.18Å; Y9-Q13 VanDerWaalsContact CE1-OE1 3.31Å; Y9-Q13 PolarHBondContact O-N 3.07Å; V10-Q13 PolarHBondContact O-N 3.39Å; Q13-Q17 WeakPolarHBondContact O-CG 3.24Å; Q13-Q17 PolarHBondContact O-N 3.43Å
14	L	35	Very low	36.1	Very low	97 Å²	97	112 Å²	112	51%	0.508	58%	0.575	S	S	.	*	H	α-helix	trans	-68.9	-38.2	175.4	-71.5	169.4	0	0	0	112.4	V10 L11 Q17 R18	V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.47Å; V10-L14 WeakPolarHBondContact O-CB 2.99Å; V10-L14 WeakPolarHBondContact O-CG 3.42Å; V10-L14 PolarHBondContact O-N 3.26Å; L11-L14 PolarHBondContact O-N 3.01Å; L14-Q17 WeakPolarHBondContact O-CB 3.41Å; L14-Q17 PolarHBondContact O-N 3.4Å; L14-R18 PolarHBondContact O-N 3.16Å; L14-R18 VanDerWaalsContact O-N 3.12Å
15	N	33.6	Very low	35.8	Very low	86 Å²	86	110.1 Å²	110.1	46%	0.46	56%	0.559	S	S	.	*	H	α-helix	trans	-70.3	-39.7	175.9	-158.1	61.2	0	0	0	111.2	L11 Q12 Q17 R18 E19	L11-N15 WeakPolarHBondContact O-CB 3.42Å; L11-N15 PolarHBondContact O-N 3.18Å; Q12-N15 PolarHBondContact O-N 3.01Å; N15-Q17 VanDerWaalsContact C-N 3.31Å; N15-Q17 PolarHBondContact O-N 3.33Å; N15-R18 WeakPolarHBondContact O-CA 3.43Å; N15-R18 WeakPolarHBondContact O-CB 3.35Å; N15-R18 PolarHBondContact O-N 2.94Å; N15-E19 PolarHBondContact O-N 3.26Å
16	N	36.8	Very low	35.8	Very low	72 Å²	72	108 Å²	108	39%	0.385	54%	0.544	S	S	.	.	H	α-helix	trans	-60.4	-39.7	170.1	-67.5	5.9	0	0	0	111.1	Q12 R18 E19	Q12-N16 VanDerWaalsContact O-CB 3.3Å; Q12-N16 WeakPolarHBondContact O-CB 3.46Å; Q12-N16 PolarHBondContact O-N 3.45Å; Q12-N16 PolarHBondContact O-OD1 3.07Å; Q12-N16 VanDerWaalsContact O-OD1 3.04Å; N16-R18 PolarHBondContact O-N 3.27Å; N16-E19 PolarHBondContact O-N 2.65Å; N16-E19 VanDerWaalsContact O-N 3.12Å
17	Q	40.5	Very low	35.8	Very low	135 Å²	135	105 Å²	105	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-24.7	172.6	-80.2	-168.1	5.8	0	0	113.6	Q13 L14 N15 E19	Q13-Q17 WeakPolarHBondContact O-CG 3.24Å; Q13-Q17 PolarHBondContact O-N 3.43Å; L14-Q17 WeakPolarHBondContact O-CB 3.41Å; L14-Q17 PolarHBondContact O-N 3.4Å; N15-Q17 VanDerWaalsContact C-N 3.31Å; N15-Q17 PolarHBondContact O-N 3.33Å; Q17-E19 VanDerWaalsContact C-N 3.3Å
18	R	33.9	Very low	35.9	Very low	212 Å²	212	104.2 Å²	104.2	80%	0.8	53%	0.53	S	S	*	.	H	α-helix	trans	-72	-23	174.9	-137.5	178.6	-166.5	-151.6	1.8	113	L14 N15 N16	L14-R18 PolarHBondContact O-N 3.16Å; L14-R18 VanDerWaalsContact O-N 3.12Å; N15-R18 WeakPolarHBondContact O-CA 3.43Å; N15-R18 WeakPolarHBondContact O-CB 3.35Å; N15-R18 PolarHBondContact O-N 2.94Å; N16-R18 PolarHBondContact O-N 3.27Å
19	E	30.4	Very low	35.8	Very low	150 Å²	150	104.4 Å²	104.4	70%	0.701	53%	0.534	S	S	*	.	H	α-helix	trans	-86.5	-12.2	178.4	-64.2	-178.6	162	0	0	113.3	N15 N16 Q17 G21	N15-E19 PolarHBondContact O-N 3.26Å; N16-E19 PolarHBondContact O-N 2.65Å; N16-E19 VanDerWaalsContact O-N 3.12Å; Q17-E19 VanDerWaalsContact C-N 3.3Å; E19-G21 PolarHBondContact O-N 3.2Å
20	W	36.5	Very low	35.3	Very low	170 Å²	170	102.1 Å²	102.1	64%	0.644	53%	0.531	S	S	*	.			trans	-77.7	58.6	170.7	-68.3	88.9	0	0	0	111.7	F22 K39 F223	W20-F22 PolarHBondContact O-N 3.42Å; W20-F22 VanDerWaalsContact O-N 3.08Å; W20-K39 PolarHBondContact O-NZ 3.44Å; W20-F223 HydrophobicContact CH2-CE2 4.44Å; W20-F223 HydrophobicContact CH2-CZ 4.23Å
21	G	30.7	Very low	34.9	Very low	67 Å²	67	106.7 Å²	106.7	69%	0.691	55%	0.553	S	S	*	*			trans	-78.7	37.9	-178.8	0	0	0	0	0	114.9	E19	E19-G21 PolarHBondContact O-N 3.2Å
22	F	33	Very low	34.5	Very low	147 Å²	147	108.3 Å²	108.3	65%	0.645	56%	0.563	S	S	*	*			trans	-117.9	137.4	168.1	-93.7	-96.6	0	0	0	110.3	W20 T237	W20-F22 PolarHBondContact O-N 3.42Å; W20-F22 VanDerWaalsContact O-N 3.08Å; F22-T237 HydrophobicContact CZ-CG2 4.01Å
23	L	31.6	Very low	33.9	Very low	132 Å²	132	107.2 Å²	107.2	69%	0.691	56%	0.56	S	S	*	*			trans	-89.6	109.5	-177.4	-67.5	167.7	0	0	0	109.5
24	C	35	Very low	33.6	Very low	92 Å²	92	111 Å²	111	62%	0.622	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-88.1	122.3	158.6	-61.5	0	0	0	0	108.1
25	D	33	Very low	33.5	Very low	72 Å²	72	111.4 Å²	111.4	39%	0.385	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	119.8	170.2	-71.8	-17.4	0	0	0	108.9	Q36 H38	D25-Q36 HydrophobicContact CB-CG 4.06Å; D25-Q36 PolarHBondContact OD2-NE2 3.34Å; D25-H38 IonicContact OD1-CD2 2.81Å; D25-H38 PolarHBondContact OD1-CD2 2.96Å; D25-H38 IonicContact OD1-CG 3.91Å; D25-H38 IonicContact OD1-NE2 3.79Å
26	C	42.3	Very low	33.6	Very low	18 Å²	18	113.9 Å²	113.9	12%	0.122	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-101	138.8	-180	-60.6	0	0	0	0	109.6	A37 L42 E73	C26-A37 PolarHBondContact N-O 3.01Å; C26-A37 WeakPolarHBondContact O-CA 3.4Å; C26-A37 WeakPolarHBondContact O-CB 3.44Å; C26-A37 PolarHBondContact O-N 3.48Å; C26-L42 HydrophobicContact CB-CD1 3.8Å; C26-E73 PolarHBondContact SG-OE2 3.19Å
27	C	34.8	Very low	33.6	Very low	94 Å²	94	110.7 Å²	110.7	64%	0.635	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.6	120	175.6	-68.6	0	0	0	0	110.4	F35	C27-F35 WeakPolarHBondContact CA-O 3.28Å
28	I	38.4	Very low	33.7	Very low	54 Å²	54	108.7 Å²	108.7	28%	0.277	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	130.3	173.3	-57.6	178.4	0	0	0	108	I30 F35 A37 L42	I28-I30 HydrophobicContact CG2-CG1 4.24Å; I28-F35 PolarHBondContact N-O 2.94Å; I28-F35 PolarHBondContact O-N 3.43Å; I28-A37 HydrophobicContact CD1-CB 3.52Å; I28-A37 HydrophobicContact CG1-CB 3.82Å; I28-L42 HydrophobicContact CD1-CD2 4.01Å
29	A	31.1	Very low	34.1	Very low	60 Å²	60	103.9 Å²	103.9	50%	0.496	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.5	173.4	0	0	0	0	0	110.5	I33 Y34	A29-I33 WeakPolarHBondContact CA-O 3.2Å; A29-Y34 HydrophobicContact CB-CD1 4.04Å; A29-Y34 HydrophobicContact CB-CE1 3.98Å
30	I	33.2	Very low	34.5	Very low	96 Å²	96	100.2 Å²	100.2	49%	0.492	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.4	170.6	-53.6	177.3	0	0	0	106.3	I28 D32 I33 F35	I28-I30 HydrophobicContact CG2-CG1 4.24Å; I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 3.38Å; I30-I33 PolarHBondContact N-O 3.23Å; I30-I33 WeakPolarHBondContact O-CA 3.34Å; I30-I33 WeakPolarHBondContact O-CB 3.38Å; I30-I33 PolarHBondContact O-N 2.91Å; I30-F35 HydrophobicContact CB-CE2 4.2Å; I30-F35 HydrophobicContact CD1-CE2 4.48Å; I30-F35 HydrophobicContact CG1-CE2 4.48Å
31	D	27.3	Very low	34.7	Very low	150 Å²	150	95.4 Å²	95.4	80%	0.802	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	51.5	179.3	-54.2	-31.6	0	0	0	113.5	I33	D31-I33 PolarHBondContact O-N 3.11Å
32	D	28	Very low	35.5	Very low	148 Å²	148	94.8 Å²	94.8	79%	0.791	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	6.4	-175.6	-61.7	-33.3	0	0	0	116.4	I30	I30-D32 VanDerWaalsContact C-N 3.31Å; I30-D32 PolarHBondContact O-N 3.38Å
33	I	26.4	Very low	36.2	Very low	101 Å²	101	90.2 Å²	90.2	52%	0.518	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.2	171.4	-55.5	175.3	0	0	0	109.9	A29 I30 D31 F35	A29-I33 WeakPolarHBondContact CA-O 3.2Å; I30-I33 PolarHBondContact N-O 3.23Å; I30-I33 WeakPolarHBondContact O-CA 3.34Å; I30-I33 WeakPolarHBondContact O-CB 3.38Å; I30-I33 PolarHBondContact O-N 2.91Å; D31-I33 PolarHBondContact O-N 3.11Å; I33-F35 HydrophobicContact CB-CE2 3.89Å; I33-F35 HydrophobicContact CB-CZ 4.3Å; I33-F35 HydrophobicContact CG2-CD2 4.22Å; I33-F35 HydrophobicContact CG2-CE1 4.34Å; I33-F35 HydrophobicContact CG2-CE2 3.58Å; I33-F35 HydrophobicContact CG2-CZ 3.66Å; I33-F35 WeakPolarHBondContact O-CD2 3.24Å
34	Y	34.7	Very low	36.5	Very low	177 Å²	177	86.8 Å²	86.8	69%	0.694	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	121.1	177.5	-67.4	-89.9	0	0	0	112	A29	A29-Y34 HydrophobicContact CB-CD1 4.04Å; A29-Y34 HydrophobicContact CB-CE1 3.98Å
35	F	32.8	Very low	36.9	Very low	107 Å²	107	84.8 Å²	84.8	47%	0.469	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.1	176.2	-63.5	-90.9	0	0	0	111.1	C27 I28 I30 I33 A37	C27-F35 WeakPolarHBondContact CA-O 3.28Å; I28-F35 PolarHBondContact N-O 2.94Å; I28-F35 PolarHBondContact O-N 3.43Å; I30-F35 HydrophobicContact CB-CE2 4.2Å; I30-F35 HydrophobicContact CD1-CE2 4.48Å; I30-F35 HydrophobicContact CG1-CE2 4.48Å; I33-F35 HydrophobicContact CB-CE2 3.89Å; I33-F35 HydrophobicContact CB-CZ 4.3Å; I33-F35 HydrophobicContact CG2-CD2 4.22Å; I33-F35 HydrophobicContact CG2-CE1 4.34Å; I33-F35 HydrophobicContact CG2-CE2 3.58Å; I33-F35 HydrophobicContact CG2-CZ 3.66Å; I33-F35 WeakPolarHBondContact O-CD2 3.24Å; F35-A37 PolarHBondContact O-N 3.25Å
36	Q	35.8	Very low	37.5	Very low	137 Å²	137	82.7 Å²	82.7	64%	0.64	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	99.3	171.5	-173.5	172.8	-5	0	0	109.1	D25	D25-Q36 HydrophobicContact CB-CG 4.06Å; D25-Q36 PolarHBondContact OD2-NE2 3.34Å
37	A	37.2	Very low	37.5	Very low	5 Å²	5	85 Å²	85	4%	0.041	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.9	-174.4	0	0	0	0	0	110.9	C26 I28 F35 V41	C26-A37 PolarHBondContact N-O 3.01Å; C26-A37 WeakPolarHBondContact O-CA 3.4Å; C26-A37 WeakPolarHBondContact O-CB 3.44Å; C26-A37 PolarHBondContact O-N 3.48Å; I28-A37 HydrophobicContact CD1-CB 3.52Å; I28-A37 HydrophobicContact CG1-CB 3.82Å; F35-A37 PolarHBondContact O-N 3.25Å; A37-V41 HydrophobicContact CB-CB 4.14Å; A37-V41 HydrophobicContact CB-CG1 4.21Å
38	H	40.8	Very low	37.8	Very low	94 Å²	94	87.9 Å²	87.9	44%	0.435	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	157.2	171.1	-71.6	-164.6	0	0	0	111.1	D25 A40 V41 L42	D25-H38 IonicContact OD1-CD2 2.81Å; D25-H38 PolarHBondContact OD1-CD2 2.96Å; D25-H38 IonicContact OD1-CG 3.91Å; D25-H38 IonicContact OD1-NE2 3.79Å; H38-A40 PolarHBondContact O-N 3.42Å; H38-V41 WeakPolarHBondContact O-CB 3.39Å; H38-V41 PolarHBondContact O-N 2.75Å; H38-L42 PolarHBondContact O-N 2.84Å
39	K	43.6	Very low	38.1	Very low	110 Å²	110	91.3 Å²	91.3	48%	0.478	49%	0.488	S	S	.	.	H	α-helix	trans	-42.4	-30.5	171	-171.3	172.7	-179.5	178.4	0	115.2	W20 A43	W20-K39 PolarHBondContact O-NZ 3.44Å; K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 2.94Å
40	A	38.4	Very low	38.7	Very low	74 Å²	74	94.7 Å²	94.7	61%	0.612	49%	0.488	S	S	*	.	H	α-helix	trans	-67.3	-36.6	174.8	0	0	0	0	0	113.8	H38 A43 A44	H38-A40 PolarHBondContact O-N 3.42Å; A40-A43 PolarHBondContact O-N 2.75Å; A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 3.2Å
41	V	40	Very low	39	Very low	69 Å²	69	95.2 Å²	95.2	42%	0.418	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-45.2	175.9	-178.1	0	0	0	0	109.9	A37 H38 A43 A44 C45	A37-V41 HydrophobicContact CB-CB 4.14Å; A37-V41 HydrophobicContact CB-CG1 4.21Å; H38-V41 WeakPolarHBondContact O-CB 3.39Å; H38-V41 PolarHBondContact O-N 2.75Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.38Å; V41-A44 CarbonylContact O-C 3.58Å; V41-A44 WeakPolarHBondContact O-CB 3.44Å; V41-A44 PolarHBondContact O-N 3.44Å; V41-A44 VanDerWaalsContact O-N 3.12Å; V41-C45 PolarHBondContact O-N 3.37Å; V41-C45 PolarHBondContact O-SG 3.16Å
42	L	49	Very low	39.4	Very low	53 Å²	53	92.1 Å²	92.1	28%	0.277	47%	0.469	S	S	.	.	H	α-helix	trans	-62.7	-38	174.9	-69.4	176.7	0	0	0	112.3	C26 I28 H38 C45 S46	C26-L42 HydrophobicContact CB-CD1 3.8Å; I28-L42 HydrophobicContact CD1-CD2 4.01Å; H38-L42 PolarHBondContact O-N 2.84Å; L42-C45 PolarHBondContact O-N 3.37Å; L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 3.24Å
43	A	46.1	Very low	39.9	Very low	51 Å²	51	90.2 Å²	90.2	42%	0.421	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-40.9	171.6	0	0	0	0	0	112.2	K39 A40 V41 S46 S47	K39-A43 WeakPolarHBondContact O-CB 3.29Å; K39-A43 PolarHBondContact O-N 2.94Å; A40-A43 PolarHBondContact O-N 2.75Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.38Å; A43-S46 PolarHBondContact O-N 3.1Å; A43-S47 VanDerWaalsContact O-CB 3.3Å; A43-S47 WeakPolarHBondContact O-CB 3.18Å; A43-S47 PolarHBondContact O-N 3.34Å; A43-S47 PolarHBondContact O-OG 3.04Å
44	A	38.6	Very low	40.6	Very low	60 Å²	60	91.1 Å²	91.1	50%	0.496	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-46.5	173.9	0	0	0	0	0	111.7	A40 V41 S46 S47 Y48	A40-A44 WeakPolarHBondContact O-CB 3.34Å; A40-A44 PolarHBondContact O-N 3.2Å; V41-A44 CarbonylContact O-C 3.58Å; V41-A44 WeakPolarHBondContact O-CB 3.44Å; V41-A44 PolarHBondContact O-N 3.44Å; V41-A44 VanDerWaalsContact O-N 3.12Å; A44-S46 PolarHBondContact O-N 3.38Å; A44-S47 CarbonylContact O-C 3.43Å; A44-S47 PolarHBondContact O-N 3.01Å; A44-S47 VanDerWaalsContact O-N 3.14Å; A44-Y48 WeakPolarHBondContact O-CB 3.26Å; A44-Y48 PolarHBondContact O-N 3.36Å
45	C	42.5	Very low	40.7	Very low	50 Å²	50	88.4 Å²	88.4	34%	0.338	46%	0.455	S	S	.	.	H	α-helix	trans	-60	-46.6	173.8	-64.3	0	0	0	0	111.7	V41 L42 S47 Y48 F49	V41-C45 PolarHBondContact O-N 3.37Å; V41-C45 PolarHBondContact O-SG 3.16Å; L42-C45 PolarHBondContact O-N 3.37Å; C45-S47 PolarHBondContact O-N 3.2Å; C45-Y48 PolarHBondContact O-N 3.15Å; C45-F49 HydrophobicContact CB-CE2 4.43Å; C45-F49 WeakPolarHBondContact O-CD2 3.47Å; C45-F49 PolarHBondContact O-N 3.34Å
46	S	46.5	Very low	41.2	Very low	28 Å²	28	87.4 Å²	87.4	20%	0.196	45%	0.452	C	S	.	.	H	α-helix	trans	-64.1	-25	176.7	-162	0	0	0	0	113	L42 A43 A44 R50	L42-S46 VanDerWaalsContact O-CB 3.25Å; L42-S46 WeakPolarHBondContact O-CB 3.32Å; L42-S46 PolarHBondContact O-N 3.24Å; A43-S46 PolarHBondContact O-N 3.1Å; A44-S46 PolarHBondContact O-N 3.38Å; S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 3.03Å; S46-R50 PolarHBondContact O-NH1 3.07Å; S46-R50 VanDerWaalsContact O-NH1 3.1Å; S46-R50 PolarHBondContact OG-NH1 2.89Å
47	S	41.4	Very low	41.5	Very low	68 Å²	68	86.9 Å²	86.9	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-83.6	-39.6	174.7	-56.3	0	0	0	0	111.6	A43 A44 C45 R50 M51	A43-S47 VanDerWaalsContact O-CB 3.3Å; A43-S47 WeakPolarHBondContact O-CB 3.18Å; A43-S47 PolarHBondContact O-N 3.34Å; A43-S47 PolarHBondContact O-OG 3.04Å; A44-S47 CarbonylContact O-C 3.43Å; A44-S47 PolarHBondContact O-N 3.01Å; A44-S47 VanDerWaalsContact O-N 3.14Å; C45-S47 PolarHBondContact O-N 3.2Å; S47-R50 WeakPolarHBondContact O-CB 3.44Å; S47-R50 PolarHBondContact O-N 2.87Å; S47-M51 WeakPolarHBondContact O-CB 3.43Å; S47-M51 PolarHBondContact O-N 3.08Å
48	Y	42.3	Very low	41.6	Very low	153 Å²	153	95.9 Å²	95.9	60%	0.6	49%	0.49	S	S	*	.	H	α-helix	trans	-61	-47.5	172.6	178.8	-95.3	0	0	0	111.3	A44 C45 R50 M51 F52	A44-Y48 WeakPolarHBondContact O-CB 3.26Å; A44-Y48 PolarHBondContact O-N 3.36Å; C45-Y48 PolarHBondContact O-N 3.15Å; Y48-R50 VanDerWaalsContact C-N 3.33Å; Y48-R50 PolarHBondContact O-N 3.22Å; Y48-M51 WeakPolarHBondContact O-CB 3.07Å; Y48-M51 PolarHBondContact O-N 2.95Å; Y48-F52 WeakPolarHBondContact O-CB 3.41Å; Y48-F52 PolarHBondContact O-N 2.89Å
49	F	44.2	Very low	41.3	Very low	126 Å²	126	95 Å²	95	55%	0.553	49%	0.494	S	S	*	.	H	α-helix	trans	-62.5	-37.9	174.2	-73.5	-59.4	0	0	0	112.2	C45 F53	C45-F49 HydrophobicContact CB-CE2 4.43Å; C45-F49 WeakPolarHBondContact O-CD2 3.47Å; C45-F49 PolarHBondContact O-N 3.34Å; F49-F53 VanDerWaalsContact O-CB 3.23Å; F49-F53 WeakPolarHBondContact O-CB 3.4Å; F49-F53 PolarHBondContact O-N 3.44Å
50	R	44	Very low	41.1	Very low	131 Å²	131	96.6 Å²	96.6	49%	0.494	51%	0.513	S	S	.	.	H	α-helix	trans	-62.3	-47.4	170.5	-80.9	-177.9	-178.9	83.8	-2.7	111.9	S46 S47 Y48 F53 M54	S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 3.03Å; S46-R50 PolarHBondContact O-NH1 3.07Å; S46-R50 VanDerWaalsContact O-NH1 3.1Å; S46-R50 PolarHBondContact OG-NH1 2.89Å; S47-R50 WeakPolarHBondContact O-CB 3.44Å; S47-R50 PolarHBondContact O-N 2.87Å; Y48-R50 VanDerWaalsContact C-N 3.33Å; Y48-R50 PolarHBondContact O-N 3.22Å; R50-F53 PolarHBondContact O-N 3.13Å; R50-M54 WeakPolarHBondContact O-CB 3.46Å; R50-M54 VanDerWaalsContact O-CG 3.26Å; R50-M54 WeakPolarHBondContact O-CG 3.24Å; R50-M54 PolarHBondContact O-N 3.03Å
51	M	38.8	Very low	41	Very low	107 Å²	107	95.8 Å²	95.8	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-57	-50.8	177.7	-111.7	-65	-61	0	0	111.9	S47 Y48 F53 M54 N55	S47-M51 WeakPolarHBondContact O-CB 3.43Å; S47-M51 PolarHBondContact O-N 3.08Å; Y48-M51 WeakPolarHBondContact O-CB 3.07Å; Y48-M51 PolarHBondContact O-N 2.95Å; M51-F53 VanDerWaalsContact C-N 3.34Å; M51-F53 PolarHBondContact O-N 3.31Å; M51-M54 PolarHBondContact O-N 3.26Å; M51-N55 WeakPolarHBondContact CE-ND2 3.44Å; M51-N55 PolarHBondContact O-N 2.85Å
52	F	35.9	Very low	40.8	Very low	86 Å²	86	101.2 Å²	101.2	38%	0.377	53%	0.527	S	S	.	.	H	α-helix	trans	-59.3	-44	178.1	-171.9	-95.7	0	0	0	111.6	Y48 N55 H56	Y48-F52 WeakPolarHBondContact O-CB 3.41Å; Y48-F52 PolarHBondContact O-N 2.89Å; F52-N55 PolarHBondContact O-N 3.23Å; F52-H56 AromaticContact CZ-CD2 3.91Å; F52-H56 PolarHBondContact O-N 3.35Å; F52-H56 VanDerWaalsContact O-N 3.11Å
53	F	39.1	Very low	40.3	Very low	107 Å²	107	104 Å²	104	47%	0.469	54%	0.542	S	S	.	.	H	α-helix	trans	-72.6	-26	178.3	-153.2	-83.8	0	0	0	113.4	F49 R50 M51 Q57 K86	F49-F53 VanDerWaalsContact O-CB 3.23Å; F49-F53 WeakPolarHBondContact O-CB 3.4Å; F49-F53 PolarHBondContact O-N 3.44Å; R50-F53 PolarHBondContact O-N 3.13Å; M51-F53 VanDerWaalsContact C-N 3.34Å; M51-F53 PolarHBondContact O-N 3.31Å; F53-Q57 WeakPolarHBondContact O-CG 3.47Å; F53-K86 WeakPolarHBondContact CZ-O 3.26Å
54	M	40.8	Very low	39.8	Very low	121 Å²	121	107.9 Å²	107.9	60%	0.596	56%	0.555	S	S	*	*	H	α-helix	trans	-75.9	-38.6	171.7	-70	-141.8	71.3	0	0	112	R50 M51 H56 Q57	R50-M54 WeakPolarHBondContact O-CB 3.46Å; R50-M54 VanDerWaalsContact O-CG 3.26Å; R50-M54 WeakPolarHBondContact O-CG 3.24Å; R50-M54 PolarHBondContact O-N 3.03Å; M51-M54 PolarHBondContact O-N 3.26Å; M54-H56 VanDerWaalsContact C-N 3.32Å; M54-H56 PolarHBondContact O-N 2.92Å; M54-Q57 WeakPolarHBondContact O-CG 3.48Å
55	N	36	Very low	40	Very low	119 Å²	119	108.9 Å²	108.9	64%	0.636	55%	0.552	S	S	*	*	H	α-helix	trans	-68.7	-28.8	176	-76.9	6.9	0	0	0	113.1	M51 F52	M51-N55 WeakPolarHBondContact CE-ND2 3.44Å; M51-N55 PolarHBondContact O-N 2.85Å; F52-N55 PolarHBondContact O-N 3.23Å
56	H	43.9	Very low	39.8	Very low	87 Å²	87	110.7 Å²	110.7	40%	0.403	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	18.9	-179	-85	-73.9	0	0	0	115.7	F52 M54 H58 S59	F52-H56 AromaticContact CZ-CD2 3.91Å; F52-H56 PolarHBondContact O-N 3.35Å; F52-H56 VanDerWaalsContact O-N 3.11Å; M54-H56 VanDerWaalsContact C-N 3.32Å; M54-H56 PolarHBondContact O-N 2.92Å; H56-H58 PolarHBondContact O-N 3.07Å; H56-S59 PolarHBondContact O-N 3.16Å
57	Q	42.3	Very low	39.2	Very low	125 Å²	125	116.9 Å²	116.9	58%	0.584	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-8.5	-179.7	-73.6	-171.2	2.1	0	0	116	F53 M54	F53-Q57 WeakPolarHBondContact O-CG 3.47Å; M54-Q57 WeakPolarHBondContact O-CG 3.48Å
58	H	39.8	Very low	38.8	Very low	195 Å²	195	119.3 Å²	119.3	90%	0.903	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	13.8	175.9	-62.1	-47.7	0	0	0	114.5	H56	H56-H58 PolarHBondContact O-N 3.07Å
59	S	34.1	Very low	38.5	Very low	74 Å²	74	122.1 Å²	122.1	52%	0.517	62%	0.617	S	S	.	*	S	Bend	trans	-141.8	124.8	172.2	-167.5	0	0	0	0	111.6	H56 A61	H56-S59 PolarHBondContact O-N 3.16Å; S59-A61 PolarHBondContact O-N 3.45Å
60	T	40.3	Very low	38.5	Very low	145 Å²	145	118.1 Å²	118.1	89%	0.89	60%	0.601	S	S	*	*			trans	-74.1	72.7	176.7	52.2	0	0	0	0	110.8	Q62	T60-Q62 PolarHBondContact O-N 3.09Å
61	A	35.2	Very low	38.5	Very low	56 Å²	56	114.5 Å²	114.5	46%	0.463	60%	0.596	S	S	.	*			trans	-66.9	115.4	177.8	0	0	0	0	0	110.7	S59 L63	S59-A61 PolarHBondContact O-N 3.45Å; A61-L63 PolarHBondContact O-N 3.21Å; A61-L63 VanDerWaalsContact O-N 3.11Å
62	Q	36.6	Very low	38.6	Very low	184 Å²	184	112.6 Å²	112.6	86%	0.86	60%	0.597	S	S	*	*			trans	-68.7	105.8	170.2	-76	-173.9	-27.3	0	0	109.8	T60 N64	T60-Q62 PolarHBondContact O-N 3.09Å; Q62-N64 PolarHBondContact O-N 2.78Å; Q62-N64 VanDerWaalsContact O-N 3.14Å
63	L	38.3	Very low	39.1	Very low	110 Å²	110	114.1 Å²	114.1	58%	0.576	61%	0.605	S	S	*	*			trans	-73.3	101.7	171.4	-69.1	172.8	0	0	0	109.6	A61 L65	A61-L63 PolarHBondContact O-N 3.21Å; A61-L63 VanDerWaalsContact O-N 3.11Å; L63-L65 PolarHBondContact O-N 3.26Å
64	N	35.5	Very low	39.3	Very low	133 Å²	133	111.3 Å²	111.3	71%	0.711	60%	0.598	S	S	*	*			trans	-83	97	177.4	-165	-16.1	0	0	0	110.2	Q62 S66	Q62-N64 PolarHBondContact O-N 2.78Å; Q62-N64 VanDerWaalsContact O-N 3.14Å; N64-S66 VanDerWaalsContact C-N 3.26Å; N64-S66 PolarHBondContact O-N 3.07Å; N64-S66 WeakPolarHBondContact OD1-CB 3.49Å; N64-S66 PolarHBondContact OD1-OG 3.38Å; N64-S66 VanDerWaalsContact OD1-OG 3.06Å
65	L	41.4	Very low	39.8	Very low	82 Å²	82	106.7 Å²	106.7	43%	0.429	58%	0.575	S	S	.	*			trans	-80.3	2	-172.2	-65	172.4	0	0	0	114.5	L63 N67 M68	L63-L65 PolarHBondContact O-N 3.26Å; L65-N67 PolarHBondContact O-N 3.29Å; L65-M68 PolarHBondContact O-N 3.43Å; L65-M68 VanDerWaalsContact O-N 3.13Å
66	S	39.1	Very low	40.3	Very low	87 Å²	87	105.8 Å²	105.8	61%	0.608	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-27.3	-168	55.3	0	0	0	0	115.8	N64	N64-S66 VanDerWaalsContact C-N 3.26Å; N64-S66 PolarHBondContact O-N 3.07Å; N64-S66 WeakPolarHBondContact OD1-CB 3.49Å; N64-S66 PolarHBondContact OD1-OG 3.38Å; N64-S66 VanDerWaalsContact OD1-OG 3.06Å
67	N	33.3	Very low	40.6	Very low	159 Å²	159	104.9 Å²	104.9	85%	0.85	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-0.3	-177.8	-72.1	-10.5	0	0	0	114.6	L65	L65-N67 PolarHBondContact O-N 3.29Å
68	M	34.3	Very low	41	Very low	118 Å²	118	100.8 Å²	100.8	58%	0.581	55%	0.549	S	S	*	.			trans	-98.6	114.1	178.4	-79.5	-173	67.7	0	0	112.6	L65 I70	L65-M68 PolarHBondContact O-N 3.43Å; L65-M68 VanDerWaalsContact O-N 3.13Å; M68-I70 HydrophobicContact CB-CG1 4.08Å; M68-I70 HydrophobicContact CE-CG1 4.47Å; M68-I70 PolarHBondContact O-N 3.28Å; M68-I70 VanDerWaalsContact O-N 3.09Å
69	K	36.1	Very low	41.4	Very low	213 Å²	213	94.8 Å²	94.8	93%	0.926	52%	0.524	S	S	*	.			trans	-78.8	87.2	163	-74.1	-179.6	-178.9	169.8	0	109.8
70	I	44.3	Very low	42.1	Very low	41 Å²	41	97 Å²	97	21%	0.21	53%	0.526	C	S	.	.			trans	-67.3	131	-178.2	-64.1	161.9	0	0	0	110.2	M68 C74 F75 I78	M68-I70 HydrophobicContact CB-CG1 4.08Å; M68-I70 HydrophobicContact CE-CG1 4.47Å; M68-I70 PolarHBondContact O-N 3.28Å; M68-I70 VanDerWaalsContact O-N 3.09Å; I70-C74 HydrophobicContact CG2-CB 3.65Å; I70-F75 HydrophobicContact CG2-CB 4.25Å; I70-I78 HydrophobicContact CD1-CD1 3.82Å; I70-I78 HydrophobicContact CG1-CD1 4.45Å; I70-I78 HydrophobicContact CG2-CD1 4.09Å
71	S	44.3	Very low	42.2	Very low	56 Å²	56	93.1 Å²	93.1	39%	0.392	50%	0.497	S	S	.	.			trans	-77.2	159.2	172.9	71.7	0	0	0	0	111.8	E73 C74 F75	S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 VanDerWaalsContact O-N 3.12Å; S71-C74 PolarHBondContact O-N 3.15Å; S71-F75 PolarHBondContact O-N 3.27Å
72	A	41	Very low	42.6	Very low	66 Å²	66	92.7 Å²	92.7	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-56.6	-30.3	-179	0	0	0	0	0	113.9	F75 D76	A72-F75 WeakPolarHBondContact O-CB 3.24Å; A72-F75 PolarHBondContact O-N 2.91Å; A72-D76 PolarHBondContact O-N 3.01Å
73	E	44.9	Very low	42.9	Very low	118 Å²	118	92.5 Å²	92.5	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-77	-32.9	178	-58.9	179.1	160.1	0	0	112.3	C26 S71 F75	C26-E73 PolarHBondContact SG-OE2 3.19Å; S71-E73 PolarHBondContact O-N 2.82Å; S71-E73 VanDerWaalsContact O-N 3.12Å; E73-F75 VanDerWaalsContact C-N 3.33Å
74	C	43.3	Very low	43	Very low	49 Å²	49	92.3 Å²	92.3	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-73.2	-28.4	170.3	-67.4	0	0	0	0	111.8	I70 S71 L77 I78	I70-C74 HydrophobicContact CG2-CB 3.65Å; S71-C74 PolarHBondContact O-N 3.15Å; C74-L77 WeakPolarHBondContact O-CB 3.26Å; C74-L77 PolarHBondContact O-N 3.36Å; C74-I78 WeakPolarHBondContact O-CG1 3.22Å; C74-I78 PolarHBondContact O-N 2.76Å; C74-I78 VanDerWaalsContact O-N 3.09Å
75	F	51.3	Low	43.1	Very low	23 Å²	23	88.8 Å²	88.8	10%	0.101	47%	0.472	C	S	.	.	H	α-helix	trans	-66.4	-44	174.5	172	-112.1	0	0	0	112.3	I70 S71 A72 E73 L77 I78 L79 F97 M101 Y107	I70-F75 HydrophobicContact CG2-CB 4.25Å; S71-F75 PolarHBondContact O-N 3.27Å; A72-F75 WeakPolarHBondContact O-CB 3.24Å; A72-F75 PolarHBondContact O-N 2.91Å; E73-F75 VanDerWaalsContact C-N 3.33Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.24Å; F75-I78 PolarHBondContact O-N 2.96Å; F75-I78 VanDerWaalsContact O-N 3.12Å; F75-L79 HydrophobicContact CD1-CD1 4.02Å; F75-L79 HydrophobicContact CD2-CG 4.32Å; F75-L79 HydrophobicContact CE1-CD1 3.47Å; F75-L79 VanDerWaalsContact CE1-CD1 3.47Å; F75-L79 HydrophobicContact CE1-CG 4.19Å; F75-L79 HydrophobicContact CE2-CD1 4.08Å; F75-L79 HydrophobicContact CE2-CD2 4.19Å; F75-L79 HydrophobicContact CE2-CG 3.9Å; F75-L79 HydrophobicContact CZ-CD1 3.51Å; F75-L79 HydrophobicContact CZ-CD2 4.17Å; F75-L79 HydrophobicContact CZ-CG 3.86Å; F75-L79 PolarHBondContact O-N 2.85Å; F75-F97 HydrophobicContact CE2-CZ 4.01Å; F75-M101 HydrophobicContact CD2-CE 4.37Å; F75-M101 HydrophobicContact CD2-SD 3.87Å; F75-M101 HydrophobicContact CE2-CE 4.23Å; F75-M101 HydrophobicContact CE2-CG 4.47Å; F75-M101 HydrophobicContact CE2-SD 3.23Å; F75-M101 WeakPolarHBondContact CE2-SD 3.39Å; F75-M101 HydrophobicContact CZ-SD 3.72Å; F75-Y107 AromaticContact CE1-CD2 3.98Å; F75-Y107 HydrophobicContact CE1-CD2 3.98Å; F75-Y107 HydrophobicContact CE1-CE2 4.27Å; F75-Y107 HydrophobicContact CE1-CG 4.46Å
76	D	47.5	Very low	42.8	Very low	101 Å²	101	91.2 Å²	91.2	54%	0.54	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-41	172.8	-90.5	-11.1	0	0	0	112.3	A72 Q80	A72-D76 PolarHBondContact O-N 3.01Å; D76-Q80 VanDerWaalsContact O-CB 3.28Å; D76-Q80 WeakPolarHBondContact O-CB 3.45Å; D76-Q80 PolarHBondContact O-N 3.06Å
77	L	50.8	Low	42.8	Very low	67 Å²	67	89.6 Å²	89.6	35%	0.351	46%	0.463	S	S	.	.	H	α-helix	trans	-61.7	-43.6	174.3	-96.7	156.2	0	0	0	112.3	C74 F75 Q80 F81	C74-L77 WeakPolarHBondContact O-CB 3.26Å; C74-L77 PolarHBondContact O-N 3.36Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.24Å; L77-Q80 PolarHBondContact O-N 3.3Å; L77-F81 HydrophobicContact CD2-CE2 3.95Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.26Å
78	I	49.2	Very low	42.9	Very low	39 Å²	39	90.6 Å²	90.6	20%	0.2	47%	0.465	C	S	.	.	H	α-helix	trans	-68.7	-44.3	179	-69.4	165.2	0	0	0	110.9	I70 C74 F75 Q80 F81 M82	I70-I78 HydrophobicContact CD1-CD1 3.82Å; I70-I78 HydrophobicContact CG1-CD1 4.45Å; I70-I78 HydrophobicContact CG2-CD1 4.09Å; C74-I78 WeakPolarHBondContact O-CG1 3.22Å; C74-I78 PolarHBondContact O-N 2.76Å; C74-I78 VanDerWaalsContact O-N 3.09Å; F75-I78 PolarHBondContact O-N 2.96Å; F75-I78 VanDerWaalsContact O-N 3.12Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 2.76Å; I78-F81 PolarHBondContact O-N 3.46Å; I78-F81 VanDerWaalsContact O-N 3.17Å; I78-M82 HydrophobicContact CG2-SD 4.14Å; I78-M82 WeakPolarHBondContact O-CG 3.42Å; I78-M82 PolarHBondContact O-N 3.29Å
79	L	48.1	Very low	43.2	Very low	69 Å²	69	87.3 Å²	87.3	36%	0.361	45%	0.452	S	S	.	.	H	α-helix	trans	-56.8	-42.6	171.7	-79.1	-179.6	0	0	0	111.4	F75 F81 M82 Y83	F75-L79 HydrophobicContact CD1-CD1 4.02Å; F75-L79 HydrophobicContact CD2-CG 4.32Å; F75-L79 HydrophobicContact CE1-CD1 3.47Å; F75-L79 VanDerWaalsContact CE1-CD1 3.47Å; F75-L79 HydrophobicContact CE1-CG 4.19Å; F75-L79 HydrophobicContact CE2-CD1 4.08Å; F75-L79 HydrophobicContact CE2-CD2 4.19Å; F75-L79 HydrophobicContact CE2-CG 3.9Å; F75-L79 HydrophobicContact CZ-CD1 3.51Å; F75-L79 HydrophobicContact CZ-CD2 4.17Å; F75-L79 HydrophobicContact CZ-CG 3.86Å; F75-L79 PolarHBondContact O-N 2.85Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 3.14Å; L79-M82 PolarHBondContact O-N 3.02Å; L79-Y83 VanDerWaalsContact O-CB 3.3Å; L79-Y83 WeakPolarHBondContact O-CB 3.4Å; L79-Y83 PolarHBondContact O-N 3.01Å
80	Q	48.4	Very low	43.4	Very low	121 Å²	121	79.1 Å²	79.1	57%	0.565	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-36	178.2	-168.9	169.6	57.4	0	0	112.1	D76 L77 I78 L84	D76-Q80 VanDerWaalsContact O-CB 3.28Å; D76-Q80 WeakPolarHBondContact O-CB 3.45Å; D76-Q80 PolarHBondContact O-N 3.06Å; L77-Q80 PolarHBondContact O-N 3.3Å; I78-Q80 VanDerWaalsContact C-N 3.28Å; I78-Q80 PolarHBondContact O-N 2.76Å; Q80-L84 HydrophobicContact CG-CD1 4.25Å; Q80-L84 WeakPolarHBondContact O-CB 3.5Å; Q80-L84 WeakPolarHBondContact O-CD1 3.46Å; Q80-L84 WeakPolarHBondContact O-CG 3.5Å; Q80-L84 PolarHBondContact O-N 3.05Å; Q80-L84 VanDerWaalsContact O-N 3.07Å
81	F	43.4	Very low	43.3	Very low	64 Å²	64	82.7 Å²	82.7	28%	0.281	45%	0.45	S	S	.	.	H	α-helix	trans	-72.4	-33	172.9	-75	-60.9	0	0	0	113.6	L77 I78 L79 K86 I87	L77-F81 HydrophobicContact CD2-CE2 3.95Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.26Å; I78-F81 PolarHBondContact O-N 3.46Å; I78-F81 VanDerWaalsContact O-N 3.17Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 3.14Å; F81-K86 PolarHBondContact O-N 2.9Å; F81-I87 HydrophobicContact CB-CD1 3.53Å; F81-I87 HydrophobicContact CB-CG1 4Å; F81-I87 HydrophobicContact CG-CD1 4.48Å
82	M	44.3	Very low	43.1	Very low	46 Å²	46	84.3 Å²	84.3	23%	0.227	46%	0.461	C	S	.	.	H	α-helix	trans	-68.4	-46.6	172.1	-71.8	176.3	68.7	0	0	111.6	I78 L79 L84 G85 I87 F97	I78-M82 HydrophobicContact CG2-SD 4.14Å; I78-M82 WeakPolarHBondContact O-CG 3.42Å; I78-M82 PolarHBondContact O-N 3.29Å; L79-M82 PolarHBondContact O-N 3.02Å; M82-L84 VanDerWaalsContact C-N 3.28Å; M82-L84 PolarHBondContact O-N 3.13Å; M82-G85 WeakPolarHBondContact O-CA 3.31Å; M82-G85 PolarHBondContact O-N 3.43Å; M82-I87 HydrophobicContact CG-CB 3.99Å; M82-I87 HydrophobicContact CG-CD1 4.48Å; M82-I87 HydrophobicContact CG-CG2 4.29Å; M82-F97 HydrophobicContact SD-CZ 4.49Å
83	Y	41.7	Very low	43.2	Very low	181 Å²	181	83.4 Å²	83.4	71%	0.71	45%	0.451	S	S	*	.	H	α-helix	trans	-64.2	-30.5	177.5	-174.3	-94.1	0	0	0	112.8	L79 G85	L79-Y83 VanDerWaalsContact O-CB 3.3Å; L79-Y83 WeakPolarHBondContact O-CB 3.4Å; L79-Y83 PolarHBondContact O-N 3.01Å; Y83-G85 PolarHBondContact O-N 3.39Å
84	L	41.1	Very low	43.2	Very low	105 Å²	105	79.3 Å²	79.3	55%	0.55	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	7.6	170.4	-70.6	170.7	0	0	0	113.7	Q80 M82 K86	Q80-L84 HydrophobicContact CG-CD1 4.25Å; Q80-L84 WeakPolarHBondContact O-CB 3.5Å; Q80-L84 WeakPolarHBondContact O-CD1 3.46Å; Q80-L84 WeakPolarHBondContact O-CG 3.5Å; Q80-L84 PolarHBondContact O-N 3.05Å; Q80-L84 VanDerWaalsContact O-N 3.07Å; M82-L84 VanDerWaalsContact C-N 3.28Å; M82-L84 PolarHBondContact O-N 3.13Å; L84-K86 HydrophobicContact CB-CG 4.17Å; L84-K86 VanDerWaalsContact O-CG 3.29Å; L84-K86 WeakPolarHBondContact O-CG 3.27Å; L84-K86 PolarHBondContact O-N 2.96Å
85	G	36.3	Very low	43.3	Very low	59 Å²	59	81.6 Å²	81.6	61%	0.608	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	14.9	177.8	0	0	0	0	0	114.8	M82 Y83	M82-G85 WeakPolarHBondContact O-CA 3.31Å; M82-G85 PolarHBondContact O-N 3.43Å; Y83-G85 PolarHBondContact O-N 3.39Å
86	K	36.9	Very low	43	Very low	133 Å²	133	87.3 Å²	87.3	58%	0.578	46%	0.464	S	S	*	.			trans	-95.8	-5.5	-171	-55.3	-153.1	175.3	-167.3	0	114.5	F53 F81 L84	F53-K86 WeakPolarHBondContact CZ-O 3.26Å; F81-K86 PolarHBondContact O-N 2.9Å; L84-K86 HydrophobicContact CB-CG 4.17Å; L84-K86 VanDerWaalsContact O-CG 3.29Å; L84-K86 WeakPolarHBondContact O-CG 3.27Å; L84-K86 PolarHBondContact O-N 2.96Å
87	I	38.2	Very low	42.9	Very low	53 Å²	53	84.4 Å²	84.4	27%	0.272	45%	0.447	S	S	.	.			trans	-127.9	108.4	174	-59.6	175	0	0	0	107.5	F81 M82 T89	F81-I87 HydrophobicContact CB-CD1 3.53Å; F81-I87 HydrophobicContact CB-CG1 4Å; F81-I87 HydrophobicContact CG-CD1 4.48Å; M82-I87 HydrophobicContact CG-CB 3.99Å; M82-I87 HydrophobicContact CG-CD1 4.48Å; M82-I87 HydrophobicContact CG-CG2 4.29Å; I87-T89 HydrophobicContact CG2-CG2 4.21Å
88	M	35.1	Very low	42.7	Very low	181 Å²	181	82.8 Å²	82.8	89%	0.892	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-92.8	124.8	165.9	-64	-171.2	76.1	0	0	108.7
89	T	41	Very low	42.7	Very low	49 Å²	49	85 Å²	85	30%	0.301	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-100.9	151.5	171.6	50.9	0	0	0	0	109.8	I87	I87-T89 HydrophobicContact CG2-CG2 4.21Å
90	A	40.2	Very low	42.4	Very low	41 Å²	41	83.9 Å²	83.9	34%	0.339	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-77.4	149.9	173.9	0	0	0	0	0	109.4	S92 S93 F94	A90-S92 PolarHBondContact O-N 3Å; A90-S92 VanDerWaalsContact O-N 3.08Å; A90-S93 PolarHBondContact N-OG 2.7Å; A90-S93 PolarHBondContact O-N 2.76Å; A90-S93 PolarHBondContact O-OG 2.68Å; A90-S93 VanDerWaalsContact O-OG 3.1Å; A90-F94 PolarHBondContact O-N 3.08Å
91	P	41.9	Very low	42.1	Very low	115 Å²	115	79.4 Å²	79.4	75%	0.747	43%	0.432	S	S	*	.	H	α-helix	trans	-54.4	-34.5	-178.9	-28.3	35.6	0	0	0	113.9	F94 E95	P91-F94 PolarHBondContact O-N 3.28Å; P91-E95 PolarHBondContact O-N 3.26Å
92	S	41.2	Very low	42	Very low	90 Å²	90	82.3 Å²	82.3	63%	0.629	45%	0.45	S	S	*	.	H	α-helix	trans	-70.4	-30.1	176	50.5	0	0	0	0	114.3	A90	A90-S92 PolarHBondContact O-N 3Å; A90-S92 VanDerWaalsContact O-N 3.08Å
93	S	41.9	Very low	41.8	Very low	48 Å²	48	89.8 Å²	89.8	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-85.4	-22.6	172.7	62.6	0	0	0	0	112.6	A90 Q96 F97	A90-S93 PolarHBondContact N-OG 2.7Å; A90-S93 PolarHBondContact O-N 2.76Å; A90-S93 PolarHBondContact O-OG 2.68Å; A90-S93 VanDerWaalsContact O-OG 3.1Å; S93-Q96 PolarHBondContact O-N 2.94Å; S93-F97 VanDerWaalsContact O-CB 3.3Å; S93-F97 WeakPolarHBondContact O-CB 3.48Å; S93-F97 PolarHBondContact O-N 3.08Å
94	F	46.3	Very low	41.6	Very low	31 Å²	31	85.9 Å²	85.9	14%	0.136	47%	0.468	C	S	.	.	H	α-helix	trans	-63.8	-42.5	170.4	-175.3	-101.4	0	0	0	112.1	A90 P91 F97 K98 L113	A90-F94 PolarHBondContact O-N 3.08Å; P91-F94 PolarHBondContact O-N 3.28Å; F94-F97 CarbonylContact O-C 3.56Å; F94-F97 WeakPolarHBondContact O-CB 3.46Å; F94-F97 PolarHBondContact O-N 3.02Å; F94-K98 HydrophobicContact CE1-CD 4.4Å; F94-K98 WeakPolarHBondContact O-CB 3.34Å; F94-K98 PolarHBondContact O-N 3.15Å; F94-L113 HydrophobicContact CD2-CD1 4.42Å
95	E	44.4	Very low	41.5	Very low	98 Å²	98	87.4 Å²	87.4	46%	0.458	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-38.1	175.3	-81.9	-60.3	140.7	0	0	113	P91 F97 K98 V99	P91-E95 PolarHBondContact O-N 3.26Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.19Å; E95-K98 PolarHBondContact O-N 2.81Å; E95-K98 WeakPolarHBondContact OE1-CD 3.29Å; E95-K98 IonicContact OE1-NZ 3.85Å; E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 3.3Å
96	Q	45.2	Very low	41.5	Very low	142 Å²	142	89.8 Å²	89.8	66%	0.664	47%	0.471	S	S	*	.	H	α-helix	trans	-62.4	-38.7	172.2	-68.9	-179.6	-2.8	0	0	111.7	S93 A100	S93-Q96 PolarHBondContact O-N 2.94Å; Q96-A100 WeakPolarHBondContact O-CB 3.46Å; Q96-A100 PolarHBondContact O-N 3.47Å
97	F	45.8	Very low	41.4	Very low	40 Å²	40	90.3 Å²	90.3	18%	0.175	47%	0.47	C	S	.	.	H	α-helix	trans	-65.4	-42.4	171.8	179.3	-100.1	0	0	0	111.9	F75 M82 S93 F94 E95 V99 A100 M101	F75-F97 HydrophobicContact CE2-CZ 4.01Å; M82-F97 HydrophobicContact SD-CZ 4.49Å; S93-F97 VanDerWaalsContact O-CB 3.3Å; S93-F97 WeakPolarHBondContact O-CB 3.48Å; S93-F97 PolarHBondContact O-N 3.08Å; F94-F97 CarbonylContact O-C 3.56Å; F94-F97 WeakPolarHBondContact O-CB 3.46Å; F94-F97 PolarHBondContact O-N 3.02Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.19Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 3.05Å; F97-A100 CarbonylContact O-C 3.6Å; F97-A100 PolarHBondContact O-N 3.03Å; F97-A100 VanDerWaalsContact O-N 3.16Å; F97-M101 HydrophobicContact CD1-CG 4.11Å; F97-M101 HydrophobicContact CD2-CE 4.19Å; F97-M101 HydrophobicContact CE1-CG 3.87Å; F97-M101 HydrophobicContact CE2-CE 3.83Å; F97-M101 HydrophobicContact CE2-CG 4.39Å; F97-M101 HydrophobicContact CE2-SD 4.34Å; F97-M101 HydrophobicContact CG-CG 4.48Å; F97-M101 HydrophobicContact CZ-CE 4.23Å; F97-M101 HydrophobicContact CZ-CG 4.03Å; F97-M101 HydrophobicContact CZ-SD 4.13Å; F97-M101 WeakPolarHBondContact O-CB 3.36Å; F97-M101 VanDerWaalsContact O-CG 3.3Å; F97-M101 WeakPolarHBondContact O-CG 3.45Å; F97-M101 PolarHBondContact O-N 3.45Å
98	K	45.5	Very low	41.4	Very low	34 Å²	34	93.5 Å²	93.5	15%	0.148	49%	0.488	C	S	.	.	H	α-helix	trans	-61	-40	176.6	-162.3	174.7	-173.8	177.2	0	111.8	F94 E95 M101 N102 D111	F94-K98 HydrophobicContact CE1-CD 4.4Å; F94-K98 WeakPolarHBondContact O-CB 3.34Å; F94-K98 PolarHBondContact O-N 3.15Å; E95-K98 PolarHBondContact O-N 2.81Å; E95-K98 WeakPolarHBondContact OE1-CD 3.29Å; E95-K98 IonicContact OE1-NZ 3.85Å; K98-M101 PolarHBondContact O-N 3.13Å; K98-N102 PolarHBondContact O-N 3.2Å; K98-D111 WeakPolarHBondContact CE-OD1 3.44Å; K98-D111 IonicContact NZ-OD1 2.75Å; K98-D111 PolarHBondContact NZ-OD1 3.06Å
99	V	48.8	Very low	41.8	Very low	86 Å²	86	86.9 Å²	86.9	52%	0.521	46%	0.457	S	S	.	.	H	α-helix	trans	-65.2	-44.9	171.8	171.4	0	0	0	0	111.7	E95 F97 M101 N102 Y103	E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 3.3Å; F97-V99 VanDerWaalsContact C-N 3.34Å; F97-V99 PolarHBondContact O-N 3.05Å; V99-M101 VanDerWaalsContact C-N 3.34Å; V99-M101 PolarHBondContact O-N 3.2Å; V99-N102 PolarHBondContact O-N 2.94Å; V99-Y103 PolarHBondContact O-N 3.17Å; V99-Y103 VanDerWaalsContact O-N 3.1Å
100	A	42.7	Very low	41.9	Very low	44 Å²	44	87.7 Å²	87.7	36%	0.364	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-36.8	176.2	0	0	0	0	0	112.8	Q96 F97 Y103 L104	Q96-A100 WeakPolarHBondContact O-CB 3.46Å; Q96-A100 PolarHBondContact O-N 3.47Å; F97-A100 CarbonylContact O-C 3.6Å; F97-A100 PolarHBondContact O-N 3.03Å; F97-A100 VanDerWaalsContact O-N 3.16Å; A100-Y103 WeakPolarHBondContact O-CB 3.49Å; A100-Y103 PolarHBondContact O-N 3.48Å; A100-L104 PolarHBondContact O-N 3.17Å
101	M	41.6	Very low	41.9	Very low	27 Å²	27	91.9 Å²	91.9	13%	0.133	48%	0.48	C	S	.	.	H	α-helix	trans	-68.9	-39.2	175.1	-70	-53.4	105.5	0	0	112.4	F75 F97 K98 V99 Y103 L104 Q105 V109	F75-M101 HydrophobicContact CD2-CE 4.37Å; F75-M101 HydrophobicContact CD2-SD 3.87Å; F75-M101 HydrophobicContact CE2-CE 4.23Å; F75-M101 HydrophobicContact CE2-CG 4.47Å; F75-M101 HydrophobicContact CE2-SD 3.23Å; F75-M101 WeakPolarHBondContact CE2-SD 3.39Å; F75-M101 HydrophobicContact CZ-SD 3.72Å; F97-M101 HydrophobicContact CD1-CG 4.11Å; F97-M101 HydrophobicContact CD2-CE 4.19Å; F97-M101 HydrophobicContact CE1-CG 3.87Å; F97-M101 HydrophobicContact CE2-CE 3.83Å; F97-M101 HydrophobicContact CE2-CG 4.39Å; F97-M101 HydrophobicContact CE2-SD 4.34Å; F97-M101 HydrophobicContact CG-CG 4.48Å; F97-M101 HydrophobicContact CZ-CE 4.23Å; F97-M101 HydrophobicContact CZ-CG 4.03Å; F97-M101 HydrophobicContact CZ-SD 4.13Å; F97-M101 WeakPolarHBondContact O-CB 3.36Å; F97-M101 VanDerWaalsContact O-CG 3.3Å; F97-M101 WeakPolarHBondContact O-CG 3.45Å; F97-M101 PolarHBondContact O-N 3.45Å; K98-M101 PolarHBondContact O-N 3.13Å; V99-M101 VanDerWaalsContact C-N 3.34Å; V99-M101 PolarHBondContact O-N 3.2Å; M101-Y103 PolarHBondContact O-N 3.16Å; M101-L104 HydrophobicContact CE-CD1 3.8Å; M101-L104 PolarHBondContact O-N 3.25Å; M101-L104 HydrophobicContact SD-CD1 4.37Å; M101-Q105 PolarHBondContact O-N 3.03Å; M101-V109 HydrophobicContact CB-CG2 4.07Å
102	N	42.7	Very low	41.9	Very low	125 Å²	125	89 Å²	89	67%	0.668	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-37	172.2	-114.6	-44	0	0	0	111.7	K98 V99 L104 Q105	K98-N102 PolarHBondContact O-N 3.2Å; V99-N102 PolarHBondContact O-N 2.94Å; N102-L104 PolarHBondContact O-N 2.63Å; N102-Q105 WeakPolarHBondContact O-CG 3.47Å; N102-Q105 PolarHBondContact O-N 3.22Å
103	Y	39.7	Very low	41.9	Very low	203 Å²	203	88.7 Å²	88.7	80%	0.796	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.5	174	-115.5	-81.3	0	0	0	114.3	V99 A100 M101	V99-Y103 PolarHBondContact O-N 3.17Å; V99-Y103 VanDerWaalsContact O-N 3.1Å; A100-Y103 WeakPolarHBondContact O-CB 3.49Å; A100-Y103 PolarHBondContact O-N 3.48Å; M101-Y103 PolarHBondContact O-N 3.16Å
104	L	37.2	Very low	42	Very low	100 Å²	100	93.4 Å²	93.4	52%	0.524	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.3	178.5	-67.1	169.5	0	0	0	113.7	A100 M101 N102 L106	A100-L104 PolarHBondContact O-N 3.17Å; M101-L104 HydrophobicContact CE-CD1 3.8Å; M101-L104 PolarHBondContact O-N 3.25Å; M101-L104 HydrophobicContact SD-CD1 4.37Å; N102-L104 PolarHBondContact O-N 2.63Å; L104-L106 PolarHBondContact O-N 2.75Å
105	Q	39.6	Very low	41.8	Very low	136 Å²	136	97.5 Å²	97.5	64%	0.636	49%	0.493	S	S	*	.			trans	52.7	7.2	163.1	-62.8	-160.4	-41.8	0	0	119.9	M101 N102 Y145	M101-Q105 PolarHBondContact O-N 3.03Å; N102-Q105 WeakPolarHBondContact O-CG 3.47Å; N102-Q105 PolarHBondContact O-N 3.22Å; Q105-Y145 PolarHBondContact NE2-OH 3.39Å; Q105-Y145 PolarHBondContact OE1-OH 3.19Å
106	L	35.3	Very low	41.7	Very low	109 Å²	109	97.7 Å²	97.7	57%	0.571	50%	0.497	S	S	*	.	S	Bend	trans	-106.8	-15.4	-170.3	-83.3	159.8	0	0	0	116.1	L104	L104-L106 PolarHBondContact O-N 2.75Å
107	Y	35.2	Very low	41.5	Very low	144 Å²	144	98.5 Å²	98.5	57%	0.565	50%	0.5	S	S	*	.			trans	-137	147.2	-172.2	-62.2	-81	0	0	0	113.3	F75	F75-Y107 AromaticContact CE1-CD2 3.98Å; F75-Y107 HydrophobicContact CE1-CD2 3.98Å; F75-Y107 HydrophobicContact CE1-CE2 4.27Å; F75-Y107 HydrophobicContact CE1-CG 4.46Å
108	N	38.9	Very low	40.9	Very low	120 Å²	120	104.6 Å²	104.6	64%	0.642	54%	0.535	S	S	*	.			trans	-93.5	112.3	179.2	-155.6	87.3	0	0	0	108.8
109	V	42.9	Very low	40.4	Very low	42 Å²	42	107.1 Å²	107.1	26%	0.255	56%	0.562	S	S	.	*			trans	-87.3	135.1	-176.3	-172.5	0	0	0	0	109.9	M101	M101-V109 HydrophobicContact CB-CG2 4.07Å
110	P	43.8	Very low	39.5	Very low	67 Å²	67	110.8 Å²	110.8	44%	0.435	58%	0.579	S	S	.	*			trans	-59.7	147.5	169.9	-22.8	34.3	0	0	0	112
111	D	39	Very low	38.8	Very low	128 Å²	128	115.3 Å²	115.3	68%	0.684	61%	0.606	S	S	*	*	S	Bend	trans	-83.3	-19.8	-173.9	-83.6	-54.6	0	0	0	114.4	K98	K98-D111 WeakPolarHBondContact CE-OD1 3.44Å; K98-D111 IonicContact NZ-OD1 2.75Å; K98-D111 PolarHBondContact NZ-OD1 3.06Å
112	C	43.2	Very low	38.2	Very low	56 Å²	56	118.9 Å²	118.9	38%	0.378	63%	0.634	S	S	.	*			trans	-130.2	160.4	-179.1	16.3	0	0	0	0	111.3	E114 D115	C112-E114 VanDerWaalsContact CB-OE2 3.29Å; C112-E114 WeakPolarHBondContact CB-OE2 3.47Å; C112-D115 PolarHBondContact SG-OD2 3.2Å
113	L	39.5	Very low	37.8	Very low	83 Å²	83	118.4 Å²	118.4	44%	0.435	64%	0.64	S	S	.	*	S	Bend	trans	-93.5	-20.4	-175.3	-157.6	145	0	0	0	111.6	F94 D115	F94-L113 HydrophobicContact CD2-CD1 4.42Å; L113-D115 VanDerWaalsContact C-N 3.31Å; L113-D115 PolarHBondContact O-N 3.44Å
114	E	45.8	Very low	37.4	Very low	147 Å²	147	114.8 Å²	114.8	69%	0.687	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-62.2	-31.6	177.2	-66.2	77	-174.9	0	0	112.9	C112 I116 Q117	C112-E114 VanDerWaalsContact CB-OE2 3.29Å; C112-E114 WeakPolarHBondContact CB-OE2 3.47Å; E114-I116 PolarHBondContact O-N 2.85Å; E114-Q117 PolarHBondContact O-N 2.9Å
115	D	40.6	Very low	36.9	Very low	117 Å²	117	119.2 Å²	119.2	63%	0.626	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-62	-4.4	-179.4	-69	-45.7	0	0	0	114.6	C112 L113	C112-D115 PolarHBondContact SG-OD2 3.2Å; L113-D115 VanDerWaalsContact C-N 3.31Å; L113-D115 PolarHBondContact O-N 3.44Å
116	I	42.4	Very low	36	Very low	102 Å²	102	118.3 Å²	118.3	52%	0.523	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-109.7	-10.5	-175.4	-55.8	169.8	0	0	0	112.3	E114	E114-I116 PolarHBondContact O-N 2.85Å
117	Q	41.3	Very low	35.6	Very low	159 Å²	159	117.7 Å²	117.7	74%	0.743	67%	0.671	S	S	*	*			trans	-115.6	83.8	-177	-70.8	-166.7	-11	0	0	113.1	E114	E114-Q117 PolarHBondContact O-N 2.9Å
118	D	33.6	Very low	35.4	Very low	168 Å²	168	116 Å²	116	90%	0.898	68%	0.681	S	S	*	*			trans	-151.3	77.3	167.6	-138.2	-11.8	0	0	0	113.8
119	A	34.5	Very low	34.9	Very low	87 Å²	87	115.9 Å²	115.9	72%	0.719	69%	0.689	S	S	*	*			trans	-164.8	85.5	167.8	0	0	0	0	0	113.1
120	D	30.3	Very low	34.1	Very low	163 Å²	163	119.1 Å²	119.1	87%	0.872	72%	0.72	S	S	*	*			trans	165.9	105.1	131.4	-93.2	-19.1	0	0	0	113
121	C	27.3	Very low	33.4	Very low	139 Å²	139	121.7 Å²	121.7	94%	0.939	74%	0.74	S	S	*	*			trans	-167.1	165.2	143.2	-120.3	0	0	0	0	112.5
122	S	30.4	Very low	33	Very low	102 Å²	102	119.8 Å²	119.8	71%	0.713	74%	0.737	S	S	*	*			trans	-119.9	141.8	-150.6	57.5	0	0	0	0	118.1
123	S	33.5	Very low	32.5	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	76%	0.76	S	S	*	*			trans	60.3	108.2	145.5	62.6	0	0	0	0	121.2
124	S	30.5	Very low	32.3	Very low	127 Å²	127	132.1 Å²	132.1	89%	0.888	78%	0.784	S	S	*	*			trans	-142.8	176.9	137.6	66.5	0	0	0	0	109.9
125	K	27.3	Very low	31.4	Very low	193 Å²	193	133.1 Å²	133.1	84%	0.839	79%	0.794	S	S	*	*			trans	-119	152.2	-155.6	-61	179	-179.9	173.6	0	115.5
126	C	21	Very low	30.8	Very low	117 Å²	117	133.5 Å²	133.5	79%	0.791	81%	0.806	S	S	*	*			trans	70.8	141.4	154.7	-66.3	0	0	0	0	117.5
127	S	25.9	Very low	30.3	Very low	96 Å²	96	137.6 Å²	137.6	67%	0.671	82%	0.82	S	S	*	*			cis	-160.5	148.3	-4.1	-93.3	0	0	0	0	112.5
128	S	31.7	Very low	29.6	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	82%	0.821	S	S	*	*			trans	59.3	143	150.3	55.3	0	0	0	0	121.3
129	S	27.6	Very low	29.4	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	82%	0.815	S	S	*	*			cis	-168.6	119.2	-12.7	-92.7	0	0	0	0	111
130	A	26.5	Very low	28.9	Very low	110 Å²	110	140.4 Å²	140.4	91%	0.909	82%	0.815	S	S	*	*			trans	-157.9	141.6	160.2	0	0	0	0	0	113.4
131	S	29.8	Very low	28.8	Very low	122 Å²	122	135.7 Å²	135.7	85%	0.853	81%	0.806	S	S	*	*			trans	-68.9	153.8	175.8	-172.7	0	0	0	0	112.5
132	S	29.8	Very low	28.8	Very low	88 Å²	88	134.5 Å²	134.5	62%	0.615	79%	0.794	S	S	*	*			cis	-168	137	-10.5	149.1	0	0	0	0	110.4
133	K	32.7	Very low	28.7	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	80%	0.798	S	S	*	*			trans	49.1	96.2	156.9	-62.4	176.8	-177.6	179.1	0	118
134	Q	34.9	Very low	28.4	Very low	198 Å²	198	142.4 Å²	142.4	93%	0.925	80%	0.8	S	S	*	*			trans	-90.7	149.4	148.8	-73.1	-178.9	-22.6	0	0	110.3
135	N	27.3	Very low	28.2	Very low	167 Å²	167	144.9 Å²	144.9	89%	0.893	79%	0.791	S	S	*	*			trans	-128.7	110.1	159.3	-112.9	-1	0	0	0	105.7	K137	N135-K137 PolarHBondContact O-N 2.89Å
136	S	29.1	Very low	28.3	Very low	126 Å²	126	143.7 Å²	143.7	88%	0.881	79%	0.788	S	S	*	*			trans	-69.2	128.1	179.6	39.4	0	0	0	0	110.2
137	K	30.8	Very low	28.7	Very low	187 Å²	187	145.7 Å²	145.7	81%	0.813	79%	0.791	S	S	*	*			trans	-120.5	109.8	173.3	-164	174.6	-174.1	-179.2	0	108.2	N135 I139	N135-K137 PolarHBondContact O-N 2.89Å; K137-I139 PolarHBondContact O-N 2.79Å
138	M	26.2	Very low	28.9	Very low	156 Å²	156	147.3 Å²	147.3	77%	0.768	80%	0.797	S	S	*	*			trans	-56.1	130.8	177.1	-65.9	-86.5	-85.6	0	0	110	F140	M138-F140 HydrophobicContact CE-CE2 4.15Å; M138-F140 HydrophobicContact CE-CZ 4.47Å
139	I	29.7	Very low	28.8	Very low	150 Å²	150	148.9 Å²	148.9	77%	0.769	80%	0.802	S	S	*	*			trans	-133.4	106.8	173.3	-61.9	176.5	0	0	0	107.7	K137	K137-I139 PolarHBondContact O-N 2.79Å
140	F	25.1	Very low	28.9	Very low	167 Å²	167	147.7 Å²	147.7	73%	0.732	80%	0.799	S	S	*	*			trans	-81.1	134.8	160.7	-72.4	-83.6	0	0	0	108.8	M138	M138-F140 HydrophobicContact CE-CE2 4.15Å; M138-F140 HydrophobicContact CE-CZ 4.47Å
141	G	28	Very low	29	Very low	65 Å²	65	153.8 Å²	153.8	67%	0.67	80%	0.799	S	S	*	*			trans	-126.9	129.3	179.8	0	0	0	0	0	111.2
142	V	27.3	Very low	28.9	Very low	114 Å²	114	155.7 Å²	155.7	69%	0.691	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.9	131.3	176.6	-179.5	0	0	0	0	109.5
143	R	28.1	Very low	28.8	Very low	212 Å²	212	155 Å²	155	80%	0.8	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.6	137.7	169.4	-77.4	-173.2	179.8	-118.3	5.8	110.1
144	M	26.6	Very low	28.5	Very low	169 Å²	169	153.4 Å²	153.4	83%	0.833	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-82.4	145.9	165.2	-67.4	-67.6	-67.2	0	0	109.8
145	Y	27.2	Very low	28.1	Very low	179 Å²	179	153.5 Å²	153.5	70%	0.702	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66.7	134.3	164.6	-104.9	-99.3	0	0	0	110.3	Q105	Q105-Y145 PolarHBondContact NE2-OH 3.39Å; Q105-Y145 PolarHBondContact OE1-OH 3.19Å
146	E	29.4	Very low	28.1	Very low	169 Å²	169	149.5 Å²	149.5	79%	0.79	80%	0.798	S	S	*	*			trans	-119	122.9	160.9	-70.6	-166.8	140.2	0	0	108.7	T148	E146-T148 PolarHBondContact O-N 3.38Å
147	D	29.6	Very low	28	Very low	159 Å²	159	150.7 Å²	150.7	85%	0.85	79%	0.794	S	S	*	*			trans	-66.7	116.5	175.4	-80.6	-46	0	0	0	110.5
148	T	29.6	Very low	27.7	Very low	130 Å²	130	153.4 Å²	153.4	80%	0.798	80%	0.799	S	S	*	*			trans	-114	92.4	169.5	40.1	0	0	0	0	110.1	E146 A150	E146-T148 PolarHBondContact O-N 3.38Å; T148-A150 PolarHBondContact O-N 3.16Å
149	V	29.1	Very low	27.6	Very low	141 Å²	141	157 Å²	157	86%	0.855	81%	0.805	S	S	*	*			trans	-59.3	124	169.3	176.2	0	0	0	0	108.7
150	A	30.3	Very low	27.3	Very low	92 Å²	92	156 Å²	156	76%	0.76	81%	0.81	S	S	*	*			trans	-63.3	137.4	-175.6	0	0	0	0	0	112.7	T148	T148-A150 PolarHBondContact O-N 3.16Å
151	R	27.4	Very low	27.4	Very low	239 Å²	239	152.5 Å²	152.5	90%	0.902	81%	0.812	S	S	*	*			trans	-147.4	131	156.3	-155.1	174.8	77.5	165.4	3.3	111.7
152	N	28.8	Very low	27.1	Very low	161 Å²	161	157.5 Å²	157.5	86%	0.861	82%	0.818	S	S	*	*			trans	-63.3	154.5	-177.9	-56.9	-10.4	0	0	0	112.6
153	G	27.8	Very low	27.4	Very low	75 Å²	75	157.6 Å²	157.6	77%	0.773	82%	0.82	S	S	*	*			trans	177.6	92.4	170.1	0	0	0	0	0	112.7
154	N	27.1	Very low	27.2	Very low	165 Å²	165	152.5 Å²	152.5	88%	0.882	82%	0.817	S	S	*	*			trans	-71.6	141.3	163.2	-68.1	-11.2	0	0	0	109.2
155	E	26.4	Very low	27.1	Very low	200 Å²	200	149.6 Å²	149.6	94%	0.935	81%	0.814	S	S	*	*				-167.8	171.4	123.3	-110.8	178.6	-175.9	0	0	111.8
156	A	27.2	Very low	27.2	Very low	83 Å²	83	147 Å²	147	69%	0.686	82%	0.816	S	S	*	*			trans	-119.9	-171.3	-161.3	0	0	0	0	0	114.1
157	N	26	Very low	27.1	Very low	152 Å²	152	145 Å²	145	81%	0.813	82%	0.816	S	S	*	*			trans	79	138.2	-176.7	-53.2	-57.1	0	0	0	113.9
158	R	24.9	Very low	26.9	Very low	243 Å²	243	144 Å²	144	92%	0.917	81%	0.81	S	S	*	*			cis	-153.1	152	46.1	-169.6	173.7	-174.1	155.6	1.5	114
159	W	24.5	Very low	26.7	Very low	232 Å²	232	143 Å²	143	88%	0.879	80%	0.804	S	S	*	*			trans	-63.4	151	-179.4	-72.4	-64.8	0	0	0	116.7
160	C	23.6	Very low	27.2	Very low	129 Å²	129	142 Å²	142	87%	0.872	80%	0.801	S	S	*	*				170.5	148.5	110.6	-92	0	0	0	0	110.2
161	A	25.8	Very low	27.1	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	80%	0.8	S	S	*	*			cis	-151.1	169.4	3	0	0	0	0	0	111.5
162	E	22.3	Very low	27	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	79%	0.789	S	S	*	*			trans	-89.3	-176.6	167.4	-59.5	-166.9	161.2	0	0	112.5
163	P	34	Very low	27	Very low	115 Å²	115	142.8 Å²	142.8	75%	0.747	79%	0.788	S	S	*	*				-147.4	137.4	88.6	36.5	-19	0	0	0	118
164	S	24.5	Very low	26.8	Very low	105 Å²	105	147.4 Å²	147.4	73%	0.734	79%	0.789	S	S	*	*			trans	70.5	145.8	146.6	-56.1	0	0	0	0	118.7
165	S	24.4	Very low	27.8	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	78%	0.775	S	S	*	*			cis	-155.5	157.9	31.2	50.7	0	0	0	0	116.4
166	T	27.8	Very low	27.7	Very low	123 Å²	123	141.1 Å²	141.1	76%	0.755	77%	0.767	S	S	*	*			trans	-13.1	141.4	161	55.5	0	0	0	0	119.4
167	V	27.2	Very low	27.9	Very low	128 Å²	128	145 Å²	145	78%	0.776	77%	0.771	S	S	*	*				-166.7	133.4	78	155	0	0	0	0	113.9
168	N	25.8	Very low	28.1	Very low	137 Å²	137	145 Å²	145	73%	0.733	77%	0.766	S	S	*	*			trans	15.6	124.9	153.1	-54.8	-10.6	0	0	0	125.1
169	T	26.1	Very low	28.3	Very low	111 Å²	111	137.6 Å²	137.6	68%	0.681	75%	0.752	S	S	*	*				22.2	156.8	116.4	31.1	0	0	0	0	122.4
170	P	38.5	Very low	28.5	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	74%	0.744	S	S	*	*			cis	-123.7	158	32.4	14.8	11.6	0	0	0	116.1
171	H	29.2	Very low	28.6	Very low	160 Å²	160	136.6 Å²	136.6	74%	0.741	75%	0.748	S	S	*	*				68.3	138.8	64.8	-91.9	-14.1	0	0	0	116
172	N	26	Very low	28.5	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	75%	0.748	S	S	*	*			cis	-173	172.7	-11.8	-151.9	6.6	0	0	0	113.6
173	R	27	Very low	28.6	Very low	222 Å²	222	135.9 Å²	135.9	84%	0.838	75%	0.749	S	S	*	*			trans	89.6	118.4	165.2	-56	179.7	176.1	171.7	-1.1	118.2
174	E	25.3	Very low	28.2	Very low	171 Å²	171	135.2 Å²	135.2	80%	0.799	74%	0.743	S	S	*	*				60	145.3	53.7	-64.2	-62.4	141.1	0	0	115.6
175	P	46.8	Very low	28	Very low	91 Å²	91	139.6 Å²	139.6	59%	0.591	75%	0.749	S	S	*	*			cis	-136	-174.3	-2.5	29.4	-4.2	0	0	0	115.5
176	D	24.2	Very low	28.6	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	75%	0.75	S	S	*	*				148.5	139	120.7	-81.6	-28	0	0	0	119
177	E	31.4	Very low	28.5	Very low	164 Å²	164	143 Å²	143	77%	0.766	76%	0.755	S	S	*	*			trans	72.1	120.4	147.5	-65.8	-76.3	71	0	0	126.5
178	E	31.4	Very low	29.1	Very low	152 Å²	152	141.3 Å²	141.3	71%	0.71	75%	0.747	S	S	*	*			trans	84.1	140.2	132	-75.6	-135.9	123.2	0	0	127.5
179	S	28.1	Very low	28.9	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	75%	0.747	S	S	*	*			trans	66.8	136.1	149.6	-74.7	0	0	0	0	121.7
180	L	28.9	Very low	28.9	Very low	138 Å²	138	144.3 Å²	144.3	72%	0.723	75%	0.75	S	S	*	*			cis	158.8	121.8	-21	-107.3	170.9	0	0	0	106.7
181	Q	26.8	Very low	28.2	Very low	202 Å²	202	144.7 Å²	144.7	94%	0.944	75%	0.746	S	S	*	*			trans	-177.7	158.5	132.6	-102.6	169	64.3	0	0	112.8
182	L	23.8	Very low	28	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	75%	0.745	S	S	*	*			trans	-161.6	124.1	-153	-164.8	177	0	0	0	111.7	T184	L182-T184 WeakPolarHBondContact CD2-OG1 3.5Å
183	A	23.6	Very low	27.9	Very low	99 Å²	99	140.7 Å²	140.7	82%	0.818	74%	0.74	S	S	*	*			trans	-172.7	161.9	156.7	0	0	0	0	0	112
184	T	24.4	Very low	27.9	Very low	100 Å²	100	139 Å²	139	61%	0.613	74%	0.738	S	S	*	*				-179.8	102.5	-63.3	-88.5	0	0	0	0	110.1	L182	L182-T184 WeakPolarHBondContact CD2-OG1 3.5Å
185	F	21.2	Very low	28.1	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.864	74%	0.739	S	S	*	*			trans	52.8	177.5	147.4	-69.2	-78.6	0	0	0	120.6
186	P	36.4	Very low	26.9	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	75%	0.749	S	S	*	*			cis	-129.7	-180	-5.2	23.1	2.5	0	0	0	117.9
187	E	26.8	Very low	27	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	75%	0.75	S	S	*	*			trans	-53.9	-168.3	159.3	-102.9	-170.9	153.6	0	0	116.7
188	P	39.5	Very low	26.6	Very low	93 Å²	93	137.7 Å²	137.7	60%	0.604	75%	0.75	S	S	*	*			cis	-128.1	-156.2	10	26.9	0.6	0	0	0	114.3
189	L	22.5	Very low	26.4	Very low	142 Å²	142	135.1 Å²	135.1	74%	0.743	75%	0.749	S	S	*	*			cis	-151.5	156.7	24	-81.7	98.7	0	0	0	115.5
190	F	25.7	Very low	26.4	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.741	76%	0.76	S	S	*	*				17.3	158.4	129.5	-58	-96.1	0	0	0	122.4
191	D	23.7	Very low	26.3	Very low	128 Å²	128	141.5 Å²	141.5	68%	0.684	77%	0.767	S	S	*	*			cis	-150.7	145.7	13.5	-112.3	-27.9	0	0	0	109.3
192	V	25	Very low	26.2	Very low	118 Å²	118	137.4 Å²	137.4	72%	0.715	76%	0.761	S	S	*	*				67.9	127.9	73.7	178.3	0	0	0	0	113.3
193	C	23.4	Very low	26.4	Very low	85 Å²	85	136.8 Å²	136.8	57%	0.574	76%	0.763	S	S	*	*				-176.9	152.7	57.5	-141.1	0	0	0	0	116.2
194	K	27.8	Very low	26.8	Very low	187 Å²	187	137.7 Å²	137.7	81%	0.813	76%	0.761	S	S	*	*			trans	58.5	166.8	144.7	-73.8	161.5	-166.1	148.1	0	122.2
195	K	28.1	Very low	27.1	Very low	184 Å²	184	141.9 Å²	141.9	80%	0.8	77%	0.771	S	S	*	*			cis	179.3	144.3	-47.8	-112	-175.5	-178.9	-177.7	0	111.7
196	S	23.4	Very low	27.6	Very low	115 Å²	115	140.5 Å²	140.5	80%	0.804	77%	0.767	S	S	*	*			trans	63.4	159.6	159.2	30.3	0	0	0	0	119.5
197	S	24.3	Very low	27.1	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	77%	0.772	S	S	*	*			cis	-158.5	161.1	-1.6	37.8	0	0	0	0	114.7
198	V	25.1	Very low	27.7	Very low	127 Å²	127	143.7 Å²	143.7	77%	0.77	77%	0.769	S	S	*	*			trans	-44.4	144.2	172.4	-151.5	0	0	0	0	113.8
199	S	25.3	Very low	27	Very low	99 Å²	99	143.8 Å²	143.8	69%	0.692	77%	0.772	S	S	*	*				-172.5	137.3	69.5	-61	0	0	0	0	119
200	K	29.4	Very low	27.8	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	78%	0.779	S	S	*	*			trans	63.3	111.3	136.9	-67.2	179.8	179.5	177.9	0	123.2
201	L	25.6	Very low	28.1	Very low	166 Å²	166	151.1 Å²	151.1	87%	0.869	79%	0.785	S	S	*	*				85	90.2	123.7	-161.1	75.2	0	0	0	120.6
202	S	24.9	Very low	28.5	Very low	117 Å²	117	154.9 Å²	154.9	82%	0.818	80%	0.796	S	S	*	*				-170.1	144.1	119.4	33.8	0	0	0	0	111.6
203	T	29.4	Very low	29.4	Very low	136 Å²	136	153 Å²	153	83%	0.834	80%	0.801	S	S	*	*			trans	-95.1	164.9	164.7	45	0	0	0	0	109
204	P	31.5	Very low	30.3	Very low	118 Å²	118	157.7 Å²	157.7	77%	0.766	81%	0.806	S	S	*	*			cis	-130.7	153	11.4	39.5	-23.7	0	0	0	116.1
205	K	30.8	Very low	31.4	Very low	188 Å²	188	153.3 Å²	153.3	82%	0.817	80%	0.799	S	S	*	*			trans	-156.9	153.9	147.6	-118	174.3	-175.2	-176.6	0	112.4
206	E	31.8	Very low	32.7	Very low	168 Å²	168	146.2 Å²	146.2	79%	0.785	77%	0.768	S	S	*	*			trans	41.6	97.2	163.3	-69.6	168	110.9	0	0	118.7
207	R	25.6	Very low	34.4	Very low	240 Å²	240	144.1 Å²	144.1	91%	0.906	75%	0.751	S	S	*	*			trans	-115.2	132.6	130	-85.8	-167.5	172.2	119.2	-0.5	109.9	S209	R207-S209 PolarHBondContact O-N 3.44Å; R207-S209 VanDerWaalsContact O-N 3.07Å
208	V	39	Very low	36.4	Very low	130 Å²	130	138.8 Å²	138.8	79%	0.788	71%	0.713	S	S	*	*			trans	-68.6	99	168.3	176.5	0	0	0	0	108.2	R210	V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.35Å
209	S	25.6	Very low	38	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	71%	0.713	S	S	*	*			trans	-75.2	83	170.6	-71.3	0	0	0	0	110.4	R207 R211	R207-S209 PolarHBondContact O-N 3.44Å; R207-S209 VanDerWaalsContact O-N 3.07Å; S209-R211 PolarHBondContact O-N 3.12Å
210	R	38.8	Very low	39.5	Very low	236 Å²	236	137.5 Å²	137.5	89%	0.891	70%	0.699	S	S	*	*			trans	-50.3	123.7	153.9	-68.9	-176.5	178	-179	-0.3	106.9	V208	V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.35Å
211	R	32.8	Very low	41.2	Very low	229 Å²	229	130.8 Å²	130.8	86%	0.864	68%	0.676	S	S	*	*			trans	-115.4	148.1	175	-94.7	-166.6	-87.6	-156	-2.4	110.8	S209	S209-R211 PolarHBondContact O-N 3.12Å
212	F	30.4	Very low	42.6	Very low	208 Å²	208	125.8 Å²	125.8	91%	0.912	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-64.3	168.3	-174.9	-87.9	-114.8	0	0	0	112.8
213	G	44.4	Very low	43.7	Very low	79 Å²	79	125.6 Å²	125.6	81%	0.814	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-51.9	139.8	-171.1	0	0	0	0	0	114.7
214	R	43.6	Very low	44.4	Very low	183 Å²	183	121.2 Å²	121.2	69%	0.691	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-84.2	119.7	166.1	-72.4	176.8	170.1	-179.8	-5.4	108.5	F216	R214-F216 HydrophobicContact CB-CD2 4.17Å; R214-F216 HydrophobicContact CB-CE1 4.4Å; R214-F216 HydrophobicContact CB-CE2 3.61Å; R214-F216 HydrophobicContact CB-CZ 3.75Å; R214-F216 HydrophobicContact CG-CZ 4.5Å; R214-F216 VanDerWaalsContact O-CD2 3.24Å; R214-F216 WeakPolarHBondContact O-CD2 3.4Å; R214-F216 VanDerWaalsContact O-CE2 3.31Å; R214-F216 WeakPolarHBondContact O-CE2 3.35Å
215	S	50	Low	46.1	Very low	95 Å²	95	117.2 Å²	117.2	66%	0.664	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-80.5	120.3	158.3	53.2	0	0	0	0	108.4
216	F	54.6	Low	47.2	Very low	34 Å²	34	113.3 Å²	113.3	15%	0.149	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.5	117.2	-179.5	-65.1	-95.2	0	0	0	108.6	R214 G224 F225 C227 E228 L231	R214-F216 HydrophobicContact CB-CD2 4.17Å; R214-F216 HydrophobicContact CB-CE1 4.4Å; R214-F216 HydrophobicContact CB-CE2 3.61Å; R214-F216 HydrophobicContact CB-CZ 3.75Å; R214-F216 HydrophobicContact CG-CZ 4.5Å; R214-F216 VanDerWaalsContact O-CD2 3.24Å; R214-F216 WeakPolarHBondContact O-CD2 3.4Å; R214-F216 VanDerWaalsContact O-CE2 3.31Å; R214-F216 WeakPolarHBondContact O-CE2 3.35Å; F216-G224 CarbonylContact O-C 3.6Å; F216-F225 HydrophobicContact CB-CB 4.44Å; F216-F225 PolarHBondContact N-O 2.78Å; F216-F225 WeakPolarHBondContact O-CD2 3.19Å; F216-F225 PolarHBondContact O-N 2.85Å; F216-C227 VanDerWaalsContact CD2-C 3.48Å; F216-E228 HydrophobicContact CD1-CB 3.88Å; F216-E228 HydrophobicContact CD1-CG 3.82Å; F216-E228 HydrophobicContact CE1-CB 3.56Å; F216-E228 HydrophobicContact CE1-CG 3.53Å; F216-E228 HydrophobicContact CE2-CB 4.29Å; F216-E228 HydrophobicContact CG-CB 4.37Å; F216-E228 HydrophobicContact CZ-CB 3.78Å; F216-E228 HydrophobicContact CZ-CG 4.22Å; F216-L231 HydrophobicContact CB-CB 4.07Å; F216-L231 HydrophobicContact CB-CD2 3.87Å
217	T	59	Low	48.5	Very low	71 Å²	71	107.8 Å²	107.8	44%	0.436	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	137.7	-176.1	48.3	0	0	0	0	112.2	D219 F223	T217-D219 PolarHBondContact O-N 3.15Å; T217-F223 CarbonylContact C-O 3.58Å; T217-F223 VanDerWaalsContact CA-O 3.31Å; T217-F223 WeakPolarHBondContact CA-O 3.46Å
218	C	67.3	Low	50	Low	1 Å²	1	101.3 Å²	101.3	1%	0.007	56%	0.557	C	S	.	*			trans	-80.7	114.3	174.2	175.4	0	0	0	0	111.4	S220 C221 G222 F223 F225 L231 H234	C218-S220 PolarHBondContact O-N 2.94Å; C218-C221 VanDerWaalsContact CB-SG 3.51Å; C218-C221 PolarHBondContact O-N 2.97Å; C218-C221 VanDerWaalsContact O-N 3.11Å; C218-G222 WeakPolarHBondContact O-CA 3.45Å; C218-G222 PolarHBondContact O-N 2.72Å; C218-F223 PolarHBondContact N-O 3.26Å; C218-F225 HydrophobicContact CB-CE2 4.07Å; C218-L231 VanDerWaalsContact CA-CD1 3.44Å; C218-L231 HydrophobicContact CB-CD1 3.5Å; C218-H234 VanDerWaalsContact SG-CD2 3.54Å
219	D	58.8	Low	50.9	Low	144 Å²	144	103.1 Å²	103.1	77%	0.77	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-15.5	-179.5	-65.1	-30.2	0	0	0	114.3	T217	T217-D219 PolarHBondContact O-N 3.15Å
220	S	56.1	Low	52.4	Low	56 Å²	56	102.2 Å²	102.2	39%	0.392	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.7	178.3	-59.6	0	0	0	0	114.4	C218 N240	C218-S220 PolarHBondContact O-N 2.94Å; S220-N240 PolarHBondContact O-ND2 3.11Å
221	C	66.2	Low	53.9	Low	52 Å²	52	92.3 Å²	92.3	35%	0.351	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	-6.2	-177.2	69.5	0	0	0	0	115.1	C218 F223 H234	C218-C221 VanDerWaalsContact CB-SG 3.51Å; C218-C221 PolarHBondContact O-N 2.97Å; C218-C221 VanDerWaalsContact O-N 3.11Å; C221-F223 PolarHBondContact O-N 3.3Å; C221-F223 VanDerWaalsContact SG-CB 3.56Å; C221-F223 PolarHBondContact SG-N 3.36Å; C221-H234 PolarHBondContact SG-NE2 3.14Å
222	G	53.7	Low	55	Low	61 Å²	61	85.7 Å²	85.7	63%	0.629	49%	0.489	S	S	*	.			trans	73.7	-0.1	-177.7	0	0	0	0	0	115.3	C218	C218-G222 WeakPolarHBondContact O-CA 3.45Å; C218-G222 PolarHBondContact O-N 2.72Å
223	F	47.5	Very low	56.5	Low	113 Å²	113	82 Å²	82	50%	0.496	47%	0.474	S	S	.	.			trans	-72.7	137.8	-175.2	-142.5	-87.7	0	0	0	111.7	W20 T217 C218 C221 F225	W20-F223 HydrophobicContact CH2-CE2 4.44Å; W20-F223 HydrophobicContact CH2-CZ 4.23Å; T217-F223 CarbonylContact C-O 3.58Å; T217-F223 VanDerWaalsContact CA-O 3.31Å; T217-F223 WeakPolarHBondContact CA-O 3.46Å; C218-F223 PolarHBondContact N-O 3.26Å; C221-F223 PolarHBondContact O-N 3.3Å; C221-F223 VanDerWaalsContact SG-CB 3.56Å; C221-F223 PolarHBondContact SG-N 3.36Å; F223-F225 HydrophobicContact CB-CE2 4.18Å; F223-F225 HydrophobicContact CB-CZ 4.15Å; F223-F225 HydrophobicContact CD1-CE1 4.22Å; F223-F225 HydrophobicContact CD1-CZ 4Å; F223-F225 HydrophobicContact CG-CZ 4.49Å; F223-F225 WeakPolarHBondContact O-CE2 3.19Å
224	G	45.9	Very low	57.8	Low	45 Å²	45	80.4 Å²	80.4	46%	0.464	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.9	-174.7	0	0	0	0	0	113.3	F216	F216-G224 CarbonylContact O-C 3.6Å
225	F	65.9	Low	58.9	Low	34 Å²	34	75.8 Å²	75.8	15%	0.149	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.2	-177.1	-57.7	-82	0	0	0	111.2	F216 C218 F223 C227 L230 L231 H234	F216-F225 HydrophobicContact CB-CB 4.44Å; F216-F225 PolarHBondContact N-O 2.78Å; F216-F225 WeakPolarHBondContact O-CD2 3.19Å; F216-F225 PolarHBondContact O-N 2.85Å; C218-F225 HydrophobicContact CB-CE2 4.07Å; F223-F225 HydrophobicContact CB-CE2 4.18Å; F223-F225 HydrophobicContact CB-CZ 4.15Å; F223-F225 HydrophobicContact CD1-CE1 4.22Å; F223-F225 HydrophobicContact CD1-CZ 4Å; F223-F225 HydrophobicContact CG-CZ 4.49Å; F223-F225 WeakPolarHBondContact O-CE2 3.19Å; F225-C227 VanDerWaalsContact C-N 3.34Å; F225-L230 HydrophobicContact CB-CB 4.15Å; F225-L230 HydrophobicContact CD1-CB 3.89Å; F225-L230 HydrophobicContact CG-CB 4.25Å; F225-L231 HydrophobicContact CD2-CB 3.95Å; F225-L231 HydrophobicContact CD2-CD1 4.01Å; F225-L231 HydrophobicContact CE2-CD1 4.1Å; F225-L231 HydrophobicContact CG-CB 4.4Å; F225-H234 HydrophobicContact CE1-CB 4.09Å; F225-H234 HydrophobicContact CE2-CB 4.07Å; F225-H234 AromaticContact CE2-CD2 3.9Å; F225-H234 AromaticContact CE2-CG 3.93Å; F225-H234 HydrophobicContact CZ-CB 3.58Å; F225-H234 AromaticContact CZ-CD2 3.74Å; F225-H234 AromaticContact CZ-CG 3.38Å; F225-H234 AromaticContact CZ-ND1 3.8Å
226	S	53.7	Low	59.6	Low	106 Å²	106	78.5 Å²	78.5	74%	0.741	44%	0.444	S	S	*	.	S	Bend	trans	-77.8	-16.1	179.9	51.3	0	0	0	0	113.8
227	C	59.6	Low	59.5	Low	52 Å²	52	80 Å²	80	35%	0.351	46%	0.455	S	S	.	.	S	Bend	trans	-150.5	158.8	174.4	71.8	0	0	0	0	112.4	F216 F225 K229 L230	F216-C227 VanDerWaalsContact CD2-C 3.48Å; F225-C227 VanDerWaalsContact C-N 3.34Å; C227-K229 PolarHBondContact O-N 3.09Å; C227-L230 PolarHBondContact O-N 3.46Å
228	E	56.3	Low	59.5	Low	103 Å²	103	77.6 Å²	77.6	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-59.3	-41.9	-174	-154.7	152.8	-152.4	0	0	112.6	F216 L230 L231 D232	F216-E228 HydrophobicContact CD1-CB 3.88Å; F216-E228 HydrophobicContact CD1-CG 3.82Å; F216-E228 HydrophobicContact CE1-CB 3.56Å; F216-E228 HydrophobicContact CE1-CG 3.53Å; F216-E228 HydrophobicContact CE2-CB 4.29Å; F216-E228 HydrophobicContact CG-CB 4.37Å; F216-E228 HydrophobicContact CZ-CB 3.78Å; F216-E228 HydrophobicContact CZ-CG 4.22Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.16Å; E228-L231 WeakPolarHBondContact O-CA 3.22Å; E228-L231 VanDerWaalsContact O-CB 3.3Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 3.3Å; E228-D232 PolarHBondContact O-N 3.28Å
229	K	58.8	Low	59	Low	168 Å²	168	84.4 Å²	84.4	73%	0.73	48%	0.483	S	S	*	.	H	α-helix	trans	-61.4	-34.5	-178.4	-62.6	-175.6	177.7	-175.7	0	114	C227 L231 D232 E233	C227-K229 PolarHBondContact O-N 3.09Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-D232 PolarHBondContact O-N 2.81Å; K229-E233 PolarHBondContact O-N 3.01Å; K229-E233 VanDerWaalsContact O-N 3.08Å
230	L	57.3	Low	58.6	Low	77 Å²	77	82.5 Å²	82.5	40%	0.403	47%	0.473	S	S	.	.	H	α-helix	trans	-73.5	-29.7	176.4	-68.7	173.3	0	0	0	111.5	F225 C227 E228 H234	F225-L230 HydrophobicContact CB-CB 4.15Å; F225-L230 HydrophobicContact CD1-CB 3.89Å; F225-L230 HydrophobicContact CG-CB 4.25Å; C227-L230 PolarHBondContact O-N 3.46Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.16Å; L230-H234 WeakPolarHBondContact O-CB 3.47Å; L230-H234 PolarHBondContact O-N 2.86Å; L230-H234 VanDerWaalsContact O-N 3.12Å
231	L	69.2	Low	58.4	Low	28 Å²	28	89.7 Å²	89.7	15%	0.147	49%	0.491	C	S	.	.	H	α-helix	trans	-68.1	-45	169.1	171.5	61.7	0	0	0	110.7	F216 C218 F225 E228 K229 E233 H234 V235	F216-L231 HydrophobicContact CB-CB 4.07Å; F216-L231 HydrophobicContact CB-CD2 3.87Å; C218-L231 VanDerWaalsContact CA-CD1 3.44Å; C218-L231 HydrophobicContact CB-CD1 3.5Å; F225-L231 HydrophobicContact CD2-CB 3.95Å; F225-L231 HydrophobicContact CD2-CD1 4.01Å; F225-L231 HydrophobicContact CE2-CD1 4.1Å; F225-L231 HydrophobicContact CG-CB 4.4Å; E228-L231 WeakPolarHBondContact O-CA 3.22Å; E228-L231 VanDerWaalsContact O-CB 3.3Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 3.3Å; K229-L231 VanDerWaalsContact C-N 3.34Å; L231-E233 PolarHBondContact O-N 2.91Å; L231-H234 PolarHBondContact O-N 3.42Å; L231-V235 HydrophobicContact CD1-CG2 3.72Å; L231-V235 HydrophobicContact CG-CG2 4.24Å; L231-V235 WeakPolarHBondContact O-CB 3.39Å; L231-V235 VanDerWaalsContact O-CG2 3.3Å; L231-V235 WeakPolarHBondContact O-CG2 3.2Å; L231-V235 PolarHBondContact O-N 3.03Å
232	D	57.1	Low	57.1	Low	90 Å²	90	95.5 Å²	95.5	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-59.2	-49.3	179.6	-63.2	-38.8	0	0	0	112	E228 K229 H234 V235 L236	E228-D232 PolarHBondContact O-N 3.28Å; K229-D232 PolarHBondContact O-N 2.81Å; D232-H234 VanDerWaalsContact C-N 3.32Å; D232-H234 PolarHBondContact O-N 3.1Å; D232-V235 PolarHBondContact O-N 3.3Å; D232-L236 WeakPolarHBondContact O-CG 3.48Å; D232-L236 PolarHBondContact O-N 3.19Å; D232-L236 VanDerWaalsContact O-N 3.16Å
233	E	62.4	Low	56.3	Low	129 Å²	129	98 Å²	98	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-36.3	177.8	-172.9	167.4	-156	0	0	112.2	K229 L231 T237	K229-E233 PolarHBondContact O-N 3.01Å; K229-E233 VanDerWaalsContact O-N 3.08Å; L231-E233 PolarHBondContact O-N 2.91Å; E233-T237 PolarHBondContact O-OG1 3.27Å
234	H	70.4	Confident	55.7	Low	47 Å²	47	100.8 Å²	100.8	22%	0.218	53%	0.529	C	S	.	.	H	α-helix	trans	-68	-41	172	179.5	77.7	0	0	0	112.7	C218 C221 F225 L230 L231 D232 L236 T237 C238	C218-H234 VanDerWaalsContact SG-CD2 3.54Å; C221-H234 PolarHBondContact SG-NE2 3.14Å; F225-H234 HydrophobicContact CE1-CB 4.09Å; F225-H234 HydrophobicContact CE2-CB 4.07Å; F225-H234 AromaticContact CE2-CD2 3.9Å; F225-H234 AromaticContact CE2-CG 3.93Å; F225-H234 HydrophobicContact CZ-CB 3.58Å; F225-H234 AromaticContact CZ-CD2 3.74Å; F225-H234 AromaticContact CZ-CG 3.38Å; F225-H234 AromaticContact CZ-ND1 3.8Å; L230-H234 WeakPolarHBondContact O-CB 3.47Å; L230-H234 PolarHBondContact O-N 2.86Å; L230-H234 VanDerWaalsContact O-N 3.12Å; L231-H234 PolarHBondContact O-N 3.42Å; D232-H234 VanDerWaalsContact C-N 3.32Å; D232-H234 PolarHBondContact O-N 3.1Å; H234-L236 VanDerWaalsContact C-N 3.25Å; H234-L236 PolarHBondContact O-N 3.47Å; H234-T237 WeakPolarHBondContact CA-OG1 3.29Å; H234-T237 CarbonylContact O-C 3.49Å; H234-T237 PolarHBondContact O-N 3.47Å; H234-T237 PolarHBondContact O-OG1 2.68Å; H234-C238 PolarHBondContact NE2-SG 3.44Å; H234-C238 VanDerWaalsContact NE2-SG 3.45Å; H234-C238 VanDerWaalsContact O-CB 3.29Å; H234-C238 WeakPolarHBondContact O-CB 3.5Å; H234-C238 PolarHBondContact O-N 3.4Å
235	V	67.6	Low	55.2	Low	85 Å²	85	107 Å²	107	52%	0.515	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-32.4	179.4	164.7	0	0	0	0	111.6	L231 D232 T237	L231-V235 HydrophobicContact CD1-CG2 3.72Å; L231-V235 HydrophobicContact CG-CG2 4.24Å; L231-V235 WeakPolarHBondContact O-CB 3.39Å; L231-V235 VanDerWaalsContact O-CG2 3.3Å; L231-V235 WeakPolarHBondContact O-CG2 3.2Å; L231-V235 PolarHBondContact O-N 3.03Å; D232-V235 PolarHBondContact O-N 3.3Å; V235-T237 VanDerWaalsContact C-N 3.27Å; V235-T237 PolarHBondContact O-N 2.93Å
236	L	63.7	Low	53.7	Low	153 Å²	153	110.1 Å²	110.1	80%	0.801	57%	0.565	S	S	*	*	H	α-helix	trans	-71.1	-18.9	173.7	-67.7	171.6	0	0	0	113.8	D232 H234	D232-L236 WeakPolarHBondContact O-CG 3.48Å; D232-L236 PolarHBondContact O-N 3.19Å; D232-L236 VanDerWaalsContact O-N 3.16Å; H234-L236 VanDerWaalsContact C-N 3.25Å; H234-L236 PolarHBondContact O-N 3.47Å
237	T	52.8	Low	52.9	Low	65 Å²	65	109.3 Å²	109.3	40%	0.399	56%	0.555	S	S	.	*	H	α-helix	trans	-118.6	-7	-173.7	53.2	0	0	0	0	113.9	F22 E233 H234 V235 T239	F22-T237 HydrophobicContact CZ-CG2 4.01Å; E233-T237 PolarHBondContact O-OG1 3.27Å; H234-T237 WeakPolarHBondContact CA-OG1 3.29Å; H234-T237 CarbonylContact O-C 3.49Å; H234-T237 PolarHBondContact O-N 3.47Å; H234-T237 PolarHBondContact O-OG1 2.68Å; V235-T237 VanDerWaalsContact C-N 3.27Å; V235-T237 PolarHBondContact O-N 2.93Å; T237-T239 PolarHBondContact O-N 3.09Å; T237-T239 VanDerWaalsContact O-N 3.14Å
238	C	58.8	Low	51.7	Low	20 Å²	20	110.4 Å²	110.4	14%	0.135	57%	0.568	C	S	.	*			trans	-68.2	107.6	-177.3	-166.4	0	0	0	0	111.9	H234 N240	H234-C238 PolarHBondContact NE2-SG 3.44Å; H234-C238 VanDerWaalsContact NE2-SG 3.45Å; H234-C238 VanDerWaalsContact O-CB 3.29Å; H234-C238 WeakPolarHBondContact O-CB 3.5Å; H234-C238 PolarHBondContact O-N 3.4Å; C238-N240 VanDerWaalsContact C-N 3.25Å; C238-N240 PolarHBondContact O-N 3.26Å
239	T	56.6	Low	50.7	Low	145 Å²	145	113.9 Å²	113.9	89%	0.89	58%	0.577	S	S	*	*			trans	-73	-12.8	178.9	51.3	0	0	0	0	114	T237 R241	T237-T239 PolarHBondContact O-N 3.09Å; T237-T239 VanDerWaalsContact O-N 3.14Å; T239-R241 PolarHBondContact O-N 3.24Å
240	N	50.7	Low	49.6	Very low	103 Å²	103	108.5 Å²	108.5	55%	0.551	56%	0.564	S	S	*	*			trans	-78.1	36.8	-176.4	-155.7	21	0	0	0	113.5	S220 C238 H242	S220-N240 PolarHBondContact O-ND2 3.11Å; C238-N240 VanDerWaalsContact C-N 3.25Å; C238-N240 PolarHBondContact O-N 3.26Å; N240-H242 PolarHBondContact O-N 3.1Å; N240-H242 VanDerWaalsContact O-N 3.09Å
241	R	53.2	Low	48.4	Very low	208 Å²	208	114.2 Å²	114.2	79%	0.785	58%	0.581	S	S	*	*			trans	-89	59.7	-164	-164	-167.8	176.7	-165.3	-0.1	113.1	T239	T239-R241 PolarHBondContact O-N 3.24Å
242	H	38.9	Very low	46.6	Very low	174 Å²	174	120.2 Å²	120.2	81%	0.806	61%	0.608	S	S	*	*			trans	-149.5	65	171	-111	-72.2	0	0	0	116	N240	N240-H242 PolarHBondContact O-N 3.1Å; N240-H242 VanDerWaalsContact O-N 3.09Å
243	S	36.6	Very low	45.4	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	62%	0.62	S	S	*	*	S	Bend	trans	-153	31.7	153.9	-151.5	0	0	0	0	115.6
244	Y	33.6	Very low	44.4	Very low	171 Å²	171	125 Å²	125	67%	0.671	62%	0.622	S	S	*	*			trans	-138.5	64.1	172.5	-105.2	-72.3	0	0	0	113.8	N246 T247	Y244-N246 PolarHBondContact O-N 2.81Å; Y244-T247 HydrophobicContact CD1-CG2 3.89Å; Y244-T247 HydrophobicContact CE1-CG2 3.99Å
245	Q	37.1	Very low	42.9	Very low	174 Å²	174	128.4 Å²	128.4	81%	0.813	65%	0.646	S	S	*	*			trans	-88.4	17.4	168.9	-145.1	179.6	24.1	0	0	112.9
246	N	33.8	Very low	41.1	Very low	101 Å²	101	129.8 Å²	129.8	54%	0.54	65%	0.65	S	S	.	*	S	Bend	trans	-121.2	-6.5	-167.9	-127.2	2.1	0	0	0	115.6	Y244 R249	Y244-N246 PolarHBondContact O-N 2.81Å; N246-R249 PolarHBondContact OD1-NH1 3Å
247	T	37.4	Very low	39.7	Very low	88 Å²	88	128.7 Å²	128.7	54%	0.54	64%	0.644	S	S	.	*	S	Bend	trans	-79.9	-20.9	172.9	36.2	0	0	0	0	113.3	Y244 R249 A250	Y244-T247 HydrophobicContact CD1-CG2 3.89Å; Y244-T247 HydrophobicContact CE1-CG2 3.99Å; T247-R249 PolarHBondContact O-N 2.74Å; T247-A250 WeakPolarHBondContact O-CB 3.49Å; T247-A250 PolarHBondContact O-N 2.88Å
248	A	33.9	Very low	39	Very low	75 Å²	75	136.8 Å²	136.8	62%	0.62	67%	0.667	S	S	*	*	H	α-helix	trans	-58.3	-27.1	171.9	0	0	0	0	0	113.1	A250 H252	A248-A250 VanDerWaalsContact C-N 3.26Å; A248-A250 PolarHBondContact O-N 2.78Å; A248-H252 PolarHBondContact O-N 3.25Å
249	R	34.4	Very low	37.7	Very low	176 Å²	176	143.8 Å²	143.8	66%	0.664	70%	0.703	S	S	*	*	H	α-helix	trans	-79.2	1.1	175.6	-70.9	-177.8	171.1	133.4	-6.9	115	N246 T247 R253	N246-R249 PolarHBondContact OD1-NH1 3Å; T247-R249 PolarHBondContact O-N 2.74Å; R249-R253 PolarHBondContact O-NH2 3.5Å; R249-R253 VanDerWaalsContact O-NH2 3.12Å
250	A	36.5	Very low	36.5	Very low	56 Å²	56	140.2 Å²	140.2	46%	0.463	70%	0.696	S	S	.	*	H	α-helix	trans	-96.6	-47.9	173.8	0	0	0	0	0	111.9	T247 A248	T247-A250 WeakPolarHBondContact O-CB 3.49Å; T247-A250 PolarHBondContact O-N 2.88Å; A248-A250 VanDerWaalsContact C-N 3.26Å; A248-A250 PolarHBondContact O-N 2.78Å
251	Y	31	Very low	35.6	Very low	197 Å²	197	145.1 Å²	145.1	77%	0.773	71%	0.712	S	S	*	*	H	α-helix	trans	-76.4	-33.9	-177.3	-99	-87.4	0	0	0	114	R253 I254	Y251-R253 PolarHBondContact O-N 2.88Å; Y251-I254 PolarHBondContact O-N 2.81Å
252	H	31.4	Very low	34.6	Very low	153 Å²	153	142.2 Å²	142.2	71%	0.708	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	21.5	176	-141.5	-53	0	0	0	114	A248	A248-H252 PolarHBondContact O-N 3.25Å
253	R	32.2	Very low	34.3	Very low	194 Å²	194	139.4 Å²	139.4	73%	0.732	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	11.3	179.1	-144.8	-165	-52.3	-170.9	4.9	113.6	R249 Y251	R249-R253 PolarHBondContact O-NH2 3.5Å; R249-R253 VanDerWaalsContact O-NH2 3.12Å; Y251-R253 PolarHBondContact O-N 2.88Å
254	I	41	Very low	33.8	Very low	127 Å²	127	141.1 Å²	141.1	65%	0.651	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-23.9	-179.9	-63.9	179.3	0	0	0	111.8	Y251	Y251-I254 PolarHBondContact O-N 2.81Å
255	V	40.3	Very low	33.7	Very low	117 Å²	117	140.2 Å²	140.2	71%	0.709	72%	0.718	S	S	*	*	S	Bend	trans	-120.8	57.4	177.6	-164.8	0	0	0	0	111.1
256	D	28.5	Very low	33.2	Very low	114 Å²	114	141 Å²	141	61%	0.61	72%	0.718	S	S	*	*	S	Bend	trans	-150.7	95.1	143	-88.2	-45	0	0	0	104.2
257	I	35.5	Very low	32.9	Very low	130 Å²	130	140.1 Å²	140.1	67%	0.667	73%	0.725	S	S	*	*				60.4	100.4	95.4	-65.5	174	0	0	0	109.2	D259	I257-D259 VanDerWaalsContact C-N 3.29Å; I257-D259 PolarHBondContact O-N 3.37Å; I257-D259 VanDerWaalsContact O-N 3.14Å
258	R	37.4	Very low	32.4	Very low	235 Å²	235	144.5 Å²	144.5	89%	0.887	74%	0.739	S	S	*	*	S	Bend		46.6	50.1	86.7	-71.7	-169.4	178.3	176.9	0.5	113.5
259	D	31.9	Very low	32.1	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	76%	0.755	S	S	*	*				-159	136.9	126.7	-95.1	-33.1	0	0	0	109.8	I257	I257-D259 VanDerWaalsContact C-N 3.29Å; I257-D259 PolarHBondContact O-N 3.37Å; I257-D259 VanDerWaalsContact O-N 3.14Å
260	G	31.3	Very low	31.6	Very low	71 Å²	71	144.5 Å²	144.5	73%	0.732	76%	0.757	S	S	*	*			trans	-114.4	137.9	-173.9	0	0	0	0	0	112.7
261	K	32	Very low	31.1	Very low	206 Å²	206	149 Å²	149	90%	0.896	77%	0.768	S	S	*	*			trans	-157.1	151.5	151.8	-116.6	166	-173.8	174.2	0	111.9
262	D	31.2	Very low	30.9	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	77%	0.765	S	S	*	*			trans	-100.2	169.6	-153.1	-52.7	-90.1	0	0	0	115.6
263	S	32.5	Very low	30.6	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	76%	0.763	S	S	*	*			trans	73.9	156.3	165	80.9	0	0	0	0	116.3
264	N	26.3	Very low	30.3	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	76%	0.757	S	S	*	*			cis	-142.5	173.2	14.3	-155.8	-4	0	0	0	113.5
265	I	32.2	Very low	29.8	Very low	153 Å²	153	140.1 Å²	140.1	79%	0.785	76%	0.763	S	S	*	*			trans	-96.1	134.9	-168.8	-61.7	158.4	0	0	0	112
266	K	27.3	Very low	29.1	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	77%	0.771	S	S	*	*			trans	-166.2	161.4	131.9	-115.4	-171.4	175.9	-155.5	0	113.3
267	A	27.7	Very low	28.9	Very low	82 Å²	82	144.7 Å²	144.7	68%	0.678	78%	0.778	S	S	*	*			trans	-120.8	165.2	171.3	0	0	0	0	0	109.3
268	E	26.4	Very low	28.3	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	79%	0.789	S	S	*	*			trans	-166.3	175.1	133.6	-109.9	157.3	-137.6	0	0	111.8
269	L	26.1	Very low	27.7	Very low	183 Å²	183	142 Å²	142	96%	0.958	78%	0.782	S	S	*	*			trans	-119.2	153.8	-170.6	-78	158.9	0	0	0	111.3
270	G	24.6	Very low	27.4	Very low	67 Å²	67	138 Å²	138	69%	0.691	77%	0.772	S	S	*	*			trans	160.7	100.5	174.8	0	0	0	0	0	108.1
271	E	25.6	Very low	27.2	Very low	151 Å²	151	142.9 Å²	142.9	71%	0.706	78%	0.776	S	S	*	*				53	107.5	63.2	-64	-139	110.3	0	0	114.2
272	K	27.1	Very low	26.9	Very low	163 Å²	163	138.3 Å²	138.3	71%	0.709	77%	0.765	S	S	*	*				66.6	154.8	123.5	-68.3	175.4	-180	159.2	0	118.6
273	D	24.5	Very low	26.6	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	76%	0.757	S	S	*	*			cis	-156.5	164.3	0.5	-135.5	-49.5	0	0	0	113.6
274	S	26.7	Very low	26.5	Very low	88 Å²	88	138.8 Å²	138.8	62%	0.615	75%	0.751	S	S	*	*			trans	57.1	132.2	135.1	-82.3	0	0	0	0	126.2
275	S	31.1	Very low	26.4	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	75%	0.751	S	S	*	*				78.2	145.4	121.2	-62.7	0	0	0	0	122.7
276	K	25.9	Very low	26.2	Very low	203 Å²	203	142.1 Å²	142.1	88%	0.883	74%	0.744	S	S	*	*			trans	-129	113.5	160.4	-101.4	-171.5	176.6	178.8	0	110
277	T	24.1	Very low	26.1	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	74%	0.735	S	S	*	*			trans	-166.9	109.4	145.2	23	0	0	0	0	109.5
278	F	23.3	Very low	25.9	Very low	204 Å²	204	142.5 Å²	142.5	90%	0.895	74%	0.74	S	S	*	*			trans	61.9	142.7	167.5	-65.6	-84.3	0	0	0	117.3
279	S	24.6	Very low	26.1	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	73%	0.728	S	S	*	*			cis	-155.1	171.4	-3.7	51	0	0	0	0	112.1
280	A	24.1	Very low	26.3	Very low	83 Å²	83	133.7 Å²	133.7	69%	0.686	72%	0.717	S	S	*	*			trans	67.7	96.9	153.4	0	0	0	0	0	120.8
281	Q	27.7	Very low	26.4	Very low	174 Å²	174	139.5 Å²	139.5	81%	0.813	73%	0.727	S	S	*	*				102.3	127.6	108.7	-153.7	147.6	-17.2	0	0	121.2
282	T	25.8	Very low	26.4	Very low	110 Å²	110	136.5 Å²	136.5	68%	0.675	73%	0.728	S	S	*	*			trans	71	117.6	153.4	38.8	0	0	0	0	122.8
283	D	26.1	Very low	27.4	Very low	113 Å²	113	133.7 Å²	133.7	60%	0.604	73%	0.726	S	S	*	*				78.8	107.2	124.6	-75.4	20.2	0	0	0	124.3
284	K	28.7	Very low	27.5	Very low	158 Å²	158	135.7 Å²	135.7	69%	0.687	74%	0.737	S	S	*	*				104	113.5	113.3	-76.3	173.6	176.6	135.7	0	121.6
285	Y	25.3	Very low	27.5	Very low	201 Å²	201	135 Å²	135	79%	0.788	74%	0.743	S	S	*	*			trans	67.5	161.6	140.1	-75.1	-121.9	0	0	0	119.4
286	R	27.3	Very low	27.6	Very low	171 Å²	171	135.4 Å²	135.4	65%	0.645	75%	0.747	S	S	*	*			cis	177.8	136.9	-34	-174.7	178.9	173.8	-157.5	-19.7	108.4
287	E	26	Very low	27.8	Very low	136 Å²	136	130.4 Å²	130.4	64%	0.636	74%	0.743	S	S	*	*			trans	62.3	160.9	159.1	-82.7	157.2	-161.2	0	0	118.7
288	D	23.8	Very low	28.1	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	74%	0.739	S	S	*	*			cis	-158.8	167.4	-31.2	-146.9	-13.6	0	0	0	112.2
289	A	28.9	Very low	28.4	Very low	72 Å²	72	125.4 Å²	125.4	60%	0.595	73%	0.733	S	S	*	*			trans	34.9	142.4	146.4	0	0	0	0	0	125.7
290	S	30.2	Very low	28.5	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	74%	0.735	S	S	*	*			trans	76.3	159.1	150.2	-54.3	0	0	0	0	118.2
291	Q	26.6	Very low	28.8	Very low	189 Å²	189	126.7 Å²	126.7	88%	0.883	74%	0.737	S	S	*	*			cis	-158.6	-178.9	16.6	-137.6	144.3	40.2	0	0	112.5
292	A	26.2	Very low	28.9	Very low	89 Å²	89	123.3 Å²	123.3	74%	0.736	73%	0.733	S	S	*	*			trans	-101.7	-160.3	172.9	0	0	0	0	0	110.8
293	P	48.6	Very low	29.2	Very low	104 Å²	104	128.9 Å²	128.9	68%	0.675	74%	0.741	S	S	*	*			cis	-148	-158.5	8.6	42.2	-17.3	0	0	0	117.7
294	D	26.7	Very low	29.5	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	75%	0.753	S	S	*	*			trans	75	155.3	154.3	-61.9	-20	0	0	0	123.6
295	G	27.2	Very low	29.6	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	75%	0.748	S	S	*	*			trans	166.3	-3.5	168.2	0	0	0	0	0	126.9
296	S	32.6	Very low	29.8	Very low	122 Å²	122	125.8 Å²	125.8	85%	0.853	75%	0.748	S	S	*	*			trans	21.9	147.5	165.2	58.3	0	0	0	0	126.7
297	A	30.7	Very low	30	Very low	98 Å²	98	123.6 Å²	123.6	81%	0.81	75%	0.754	S	S	*	*			trans	75	155.4	151.6	0	0	0	0	0	121.2
298	S	29.9	Very low	30.2	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	76%	0.761	S	S	*	*			cis	-171.6	172.5	-14.4	56.5	0	0	0	0	114.3
299	T	28.5	Very low	30.5	Very low	126 Å²	126	123.2 Å²	123.2	77%	0.773	76%	0.759	S	S	*	*			trans	69.7	155	160	64.3	0	0	0	0	120.5
300	T	27.6	Very low	30.5	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	77%	0.766	S	S	*	*			cis	-164	145.4	-13.2	20.9	0	0	0	0	115.2
301	A	29.7	Very low	30.5	Very low	87 Å²	87	127.1 Å²	127.1	72%	0.719	78%	0.775	S	S	*	*			trans	67.3	130	135.5	0	0	0	0	0	127.5
302	S	30.2	Very low	30.6	Very low	104 Å²	104	123 Å²	123	73%	0.727	77%	0.772	S	S	*	*			trans	73.1	152.6	140	-70.3	0	0	0	0	121.4
303	R	33	Very low	30.6	Very low	226 Å²	226	122.5 Å²	122.5	85%	0.853	78%	0.776	S	S	*	*			cis	-166.5	145.8	-2.8	-116.8	170.9	-177.3	-166.4	1.7	112.2
304	K	32.3	Very low	29.7	Very low	196 Å²	196	126.2 Å²	126.2	85%	0.852	79%	0.785	S	S	*	*			trans	40.8	155.6	141.5	-79.9	-158.9	172.1	-169	0	123.2
305	S	31.1	Very low	29.6	Very low	83 Å²	83	125.8 Å²	125.8	58%	0.58	78%	0.777	S	S	*	*			cis	178.5	154	-10.9	51.9	0	0	0	0	115.2
306	T	29.3	Very low	29.7	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	78%	0.781	S	S	*	*			trans	66.6	165.6	143.9	51.2	0	0	0	0	119.9
307	V	30.8	Very low	29.5	Very low	125 Å²	125	130.8 Å²	130.8	76%	0.758	78%	0.778	S	S	*	*			cis	179.4	158.3	-6.6	134.7	0	0	0	0	107.7
308	E	29.7	Very low	29.3	Very low	167 Å²	167	138.3 Å²	138.3	78%	0.78	79%	0.785	S	S	*	*			cis	-159.4	-150.2	7.3	-137.1	-162.8	-100.1	0	0	116.2
309	S	31.8	Very low	29.2	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	79%	0.793	S	S	*	*			trans	-47.9	176.8	174.1	-53.9	0	0	0	0	120.1
310	G	27.8	Very low	29.2	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	80%	0.795	S	S	*	*			cis	162.1	172.9	-7.5	0	0	0	0	0	116.2
311	M	30	Very low	29.2	Very low	188 Å²	188	139.6 Å²	139.6	93%	0.926	80%	0.797	S	S	*	*			trans	80.8	127.5	159.7	-65.3	-169.2	70.3	0	0	126.7
312	A	29.5	Very low	29.1	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	80%	0.799	S	S	*	*			trans	79.7	142.7	131	0	0	0	0	0	126.6
313	G	25.8	Very low	29.1	Very low	79 Å²	79	146 Å²	146	81%	0.814	81%	0.806	S	S	*	*			trans	128.5	156.1	171.4	0	0	0	0	0	114.3
314	E	28.8	Very low	28.8	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	80%	0.804	S	S	*	*			cis	-160.1	-160.8	-19.8	-151.3	-158.5	-90.3	0	0	110.4
315	E	26.3	Very low	28.7	Very low	154 Å²	154	143.9 Å²	143.9	72%	0.72	80%	0.803	S	S	*	*			trans	-105.2	152.6	-171.3	-58.3	-174.3	142.8	0	0	117
316	K	27.8	Very low	28.6	Very low	188 Å²	188	146.5 Å²	146.5	82%	0.817	81%	0.809	S	S	*	*				177.2	170.1	114.3	-101.6	162.7	-175	141.8	0	116.2
317	S	28.7	Very low	28.6	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	81%	0.809	S	S	*	*			trans	-130.9	158.3	-160.4	59	0	0	0	0	115.8
318	R	27.8	Very low	28.3	Very low	255 Å²	255	150.3 Å²	150.3	96%	0.962	81%	0.81	S	S	*	*			trans	-164	157.9	151.5	-121.2	173.1	-179.8	156.8	1.4	111.8
319	A	27.8	Very low	28.4	Very low	101 Å²	101	150.8 Å²	150.8	84%	0.835	82%	0.815	S	S	*	*			trans	-147.4	148.8	-173.5	0	0	0	0	0	113.3
320	A	26.7	Very low	28.2	Very low	99 Å²	99	154.3 Å²	154.3	82%	0.818	82%	0.82	S	S	*	*			trans	178.6	146.2	161.9	0	0	0	0	0	108.2
321	E	27.5	Very low	28.9	Very low	176 Å²	176	155.9 Å²	155.9	82%	0.822	82%	0.817	S	S	*	*			cis	-159	138.8	-18.8	-176.2	177.4	162.4	0	0	107.1
322	T	27.9	Very low	28.8	Very low	125 Å²	125	155.3 Å²	155.3	77%	0.767	81%	0.812	S	S	*	*			trans	-107.2	122.5	-174.6	48.5	0	0	0	0	113.1
323	K	30.9	Very low	28.8	Very low	202 Å²	202	157.6 Å²	157.6	88%	0.878	81%	0.81	S	S	*	*			trans	-92.6	109.1	167.8	-71	-175.7	178.3	179	0	110
324	R	26.8	Very low	29.2	Very low	215 Å²	215	161.4 Å²	161.4	81%	0.811	81%	0.81	S	S	*	*			trans	-81.3	142.9	168.4	-62	-179.4	-176.6	174.5	-0.1	109.8
325	I	29.2	Very low	29.7	Very low	162 Å²	162	158 Å²	158	83%	0.831	80%	0.804	S	S	*	*			trans	-114.4	133.4	153.4	-63.6	178.9	0	0	0	106.2
326	I	29.2	Very low	29.7	Very low	137 Å²	137	156.1 Å²	156.1	70%	0.703	80%	0.803	S	S	*	*			trans	-111.2	125.1	-179	-61.2	170.2	0	0	0	107
327	I	29.2	Very low	29.8	Very low	155 Å²	155	153.9 Å²	153.9	80%	0.795	80%	0.8	S	S	*	*			trans	-107.4	125.7	167.6	-60.2	179.3	0	0	0	106.6
328	K	24.5	Very low	30	Very low	179 Å²	179	156.8 Å²	156.8	78%	0.778	80%	0.801	S	S	*	*			trans	-78.5	145.6	172.5	-71.1	-175.8	173.3	-171.1	0	109.7
329	M	32.9	Very low	30.4	Very low	177 Å²	177	152.5 Å²	152.5	87%	0.872	79%	0.794	S	S	*	*			trans	-97.1	140.8	156.4	-69	168.9	55.7	0	0	108.9
330	E	26.6	Very low	30.6	Very low	181 Å²	181	156.8 Å²	156.8	85%	0.846	79%	0.794	S	S	*	*			trans	-133.5	155.2	150.1	-72.8	-176	139.6	0	0	107.6
331	P	43.3	Very low	30.7	Very low	105 Å²	105	158.6 Å²	158.6	68%	0.682	79%	0.79	S	S	*	*			trans	-123.7	-177.4	-158	40.4	-24.1	0	0	0	114.9
332	E	28.8	Very low	30.7	Very low	175 Å²	175	159.8 Å²	159.8	82%	0.818	79%	0.792	S	S	*	*			trans	73.7	149.4	168.3	-51.2	-175	165.2	0	0	114
333	D	28.6	Very low	30.7	Very low	149 Å²	149	161.1 Å²	161.1	80%	0.797	80%	0.795	S	S	*	*			cis	-119.9	166.7	16.6	-78	-63.8	0	0	0	115.5
334	I	33.1	Very low	30.6	Very low	159 Å²	159	159.1 Å²	159.1	82%	0.815	79%	0.792	S	S	*	*			trans	-130	123.7	171.7	-65.1	165.8	0	0	0	108.3
335	P	40.2	Very low	30.7	Very low	112 Å²	112	155.8 Å²	155.8	73%	0.727	79%	0.789	S	S	*	*				-153.2	164.9	117.8	37	-19.6	0	0	0	114.8
336	T	27.3	Very low	30.6	Very low	115 Å²	115	156.8 Å²	156.8	71%	0.706	79%	0.787	S	S	*	*			cis	-162.1	-179.2	-19.8	29	0	0	0	0	107.7
337	D	29.8	Very low	30.6	Very low	140 Å²	140	156.1 Å²	156.1	75%	0.749	79%	0.789	S	S	*	*			trans	72.1	136.1	162.2	-59.3	-3.9	0	0	0	118.5
338	E	32.3	Very low	30.6	Very low	173 Å²	173	154 Å²	154	81%	0.808	78%	0.784	S	S	*	*			cis	-149.3	154.8	-17.2	-138.4	-174.7	-161.5	0	0	109.7
339	M	36.5	Very low	31.1	Very low	166 Å²	166	153 Å²	153	82%	0.818	79%	0.787	S	S	*	*			trans	-96.2	157.6	-175.2	-62.7	-177.5	-177.8	0	0	113
340	K	30.8	Very low	31.1	Very low	191 Å²	191	152.6 Å²	152.6	83%	0.83	78%	0.78	S	S	*	*			trans	-151	134.9	147.6	-114.6	154.2	-168	159	0	111.8
341	D	29.6	Very low	31.4	Very low	137 Å²	137	150.9 Å²	150.9	73%	0.733	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-85.4	148.5	-161.1	-52.7	-92	0	0	0	114.4
342	F	28	Very low	30.7	Very low	200 Å²	200	151.7 Å²	151.7	88%	0.877	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-100.2	117.2	162.5	-74.6	-81.6	0	0	0	109.7	I344	F342-I344 PolarHBondContact O-N 2.77Å
343	N	26.4	Very low	30.7	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.6	-177.5	-84.7	-43.5	0	0	0	112.5	I345	N343-I345 PolarHBondContact O-N 3.25Å; N343-I345 VanDerWaalsContact O-N 3.13Å
344	I	29.9	Very low	30.8	Very low	160 Å²	160	153.6 Å²	153.6	82%	0.821	79%	0.793	S	S	*	*			trans	-74.5	99.1	168.9	-58.9	174.5	0	0	0	108.2	F342 K346	F342-I344 PolarHBondContact O-N 2.77Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.1Å
345	I	28.1	Very low	30.9	Very low	145 Å²	145	150.7 Å²	150.7	74%	0.744	79%	0.787	S	S	*	*			trans	-72	90.7	175	-51.2	-177.9	0	0	0	109.3	N343 V347	N343-I345 PolarHBondContact O-N 3.25Å; N343-I345 VanDerWaalsContact O-N 3.13Å; I345-V347 VanDerWaalsContact C-N 3.31Å; I345-V347 HydrophobicContact CG2-CG2 3.77Å; I345-V347 PolarHBondContact O-N 2.99Å
346	K	28	Very low	30.6	Very low	184 Å²	184	151.4 Å²	151.4	80%	0.8	79%	0.789	S	S	*	*			trans	-80.4	72.9	178.9	-167	-179	-174.9	-179.6	0	110.8	I344 T348	I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.1Å; K346-T348 PolarHBondContact O-N 3.32Å
347	V	29.7	Very low	31.1	Very low	122 Å²	122	152.6 Å²	152.6	74%	0.739	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.9	122.5	173.6	-172.3	0	0	0	0	109.2	I345	I345-V347 VanDerWaalsContact C-N 3.31Å; I345-V347 HydrophobicContact CG2-CG2 3.77Å; I345-V347 PolarHBondContact O-N 2.99Å
348	T	27.5	Very low	31.1	Very low	111 Å²	111	153.7 Å²	153.7	68%	0.681	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.9	127.3	173.6	49	0	0	0	0	110.5	K346 K350	K346-T348 PolarHBondContact O-N 3.32Å; T348-K350 PolarHBondContact O-N 3.25Å
349	D	34.8	Very low	31.4	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.5	118	167.1	-75.1	-49.3	0	0	0	110
350	K	34.8	Very low	31.3	Very low	170 Å²	170	154 Å²	154	74%	0.739	80%	0.802	S	S	*	*			trans	-145.2	152.8	163.5	-105	-160.7	173.7	-162.9	0	111.1	T348	T348-K350 PolarHBondContact O-N 3.25Å
351	D	31.1	Very low	31.9	Very low	144 Å²	144	151.9 Å²	151.9	77%	0.77	80%	0.798	S	S	*	*			trans	64	68.9	161.5	-45.6	-25.2	0	0	0	115.2
352	C	29.2	Very low	32.2	Very low	122 Å²	122	153 Å²	153	82%	0.824	80%	0.799	S	S	*	*			trans	-127.4	72.3	163.3	-79.3	0	0	0	0	110.4
353	N	28.6	Very low	32.3	Very low	165 Å²	165	150.8 Å²	150.8	88%	0.882	80%	0.796	S	S	*	*			trans	158.9	113.1	145.9	-82.9	-18.3	0	0	0	111.1
354	E	31.3	Very low	32.7	Very low	200 Å²	200	151.5 Å²	151.5	94%	0.935	80%	0.795	S	S	*	*			trans	-152.8	178.1	138.9	-141.1	157.4	-148.2	0	0	109.6
355	S	35.2	Very low	33	Very low	97 Å²	97	149.1 Å²	149.1	68%	0.678	79%	0.79	S	S	*	*			trans	-143.7	160.3	-146.9	59.2	0	0	0	0	116.3
356	T	33.1	Very low	33.1	Very low	128 Å²	128	150.8 Å²	150.8	79%	0.785	79%	0.794	S	S	*	*			trans	81.4	156.9	158.7	-42.6	0	0	0	0	115.5
357	D	37.9	Very low	33.4	Very low	139 Å²	139	149.2 Å²	149.2	74%	0.743	79%	0.79	S	S	*	*			trans	-85.3	155.2	-167.8	-40	-94.2	0	0	0	113.4
358	N	29.5	Very low	33.6	Very low	163 Å²	163	149.6 Å²	149.6	87%	0.872	80%	0.795	S	S	*	*			trans	-173.4	156.3	138.5	-92.7	-43.3	0	0	0	110.3
359	D	39.4	Very low	33.8	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	79%	0.794	S	S	*	*			trans	-88.4	149.7	176.9	-52.7	-86.3	0	0	0	112.4
360	E	34.2	Very low	33.2	Very low	198 Å²	198	153 Å²	153	93%	0.925	79%	0.789	S	S	*	*				-179	-176.2	126.5	-98.6	-178.6	153.9	0	0	111.3
361	L	42.6	Very low	32.8	Very low	145 Å²	145	151.8 Å²	151.8	76%	0.759	78%	0.78	S	S	*	*			trans	-108.2	165.7	-153.8	-67.6	165	0	0	0	115.6
362	E	37.2	Very low	32.4	Very low	162 Å²	162	152.6 Å²	152.6	76%	0.757	77%	0.773	S	S	*	*			trans	64.4	142.6	156.6	-72.2	150.1	-154.4	0	0	116.3
363	D	30.5	Very low	32.3	Very low	152 Å²	152	156.6 Å²	156.6	81%	0.813	77%	0.773	S	S	*	*			cis	-148.1	164.5	21.9	-101	-42.4	0	0	0	112.5
364	E	33.3	Very low	32.4	Very low	168 Å²	168	154.6 Å²	154.6	79%	0.785	77%	0.766	S	S	*	*			trans	-86.2	147.2	161.4	-87.2	-78.8	152.7	0	0	110.2
365	P	37.1	Very low	32.3	Very low	111 Å²	111	154.2 Å²	154.2	72%	0.721	76%	0.764	S	S	*	*				-155.4	142.7	96.5	37.2	-17.7	0	0	0	118.9
366	E	30.5	Very low	31.9	Very low	179 Å²	179	158.1 Å²	158.1	84%	0.836	77%	0.772	S	S	*	*			trans	62.4	137.7	137	-60.6	-170	153.1	0	0	122.3
367	E	32.9	Very low	31.7	Very low	151 Å²	151	159.9 Å²	159.9	71%	0.706	78%	0.777	S	S	*	*			trans	-69.4	168	166.3	-63.7	-167.7	141.8	0	0	113	F369	E367-F369 WeakPolarHBondContact OE2-CD2 3.39Å
368	P	35.2	Very low	31.3	Very low	130 Å²	130	159.2 Å²	159.2	84%	0.844	78%	0.777	S	S	*	*				-141.4	140.1	111	28.7	-11.6	0	0	0	117.6
369	F	30.8	Very low	31.2	Very low	151 Å²	151	154.4 Å²	154.4	66%	0.662	77%	0.766	S	S	*	*			trans	-49.9	154.8	164.6	-98.7	-116.3	0	0	0	116.2	E367	E367-F369 WeakPolarHBondContact OE2-CD2 3.39Å
370	Y	22.9	Very low	30.6	Very low	189 Å²	189	155.7 Å²	155.7	74%	0.741	77%	0.771	S	S	*	*				-159.4	126.4	128.1	-110.7	-90.6	0	0	0	107.8
371	R	26.7	Very low	30.3	Very low	144 Å²	144	155.3 Å²	155.3	54%	0.543	77%	0.767	S	S	.	*				58	136.9	69.3	-84.5	165.7	136.2	-171.6	-7	113
372	Y	23.2	Very low	29.5	Very low	161 Å²	161	158.2 Å²	158.2	63%	0.631	77%	0.773	S	S	*	*			cis	-133.4	-156	8.4	-113.8	-54.8	0	0	0	110.2
373	Y	26.7	Very low	28.8	Very low	207 Å²	207	156.5 Å²	156.5	81%	0.812	78%	0.779	S	S	*	*			cis	-153.6	175.9	24.7	-101.8	-78.9	0	0	0	112.2
374	V	30.8	Very low	28.6	Very low	123 Å²	123	153 Å²	153	75%	0.745	78%	0.779	S	S	*	*			trans	-140.6	148	168.2	171	0	0	0	0	107.8
375	E	28.3	Very low	28.2	Very low	191 Å²	191	156.4 Å²	156.4	89%	0.893	78%	0.784	S	S	*	*			trans	-120.9	138.3	164.8	-67.6	-172.6	141.1	0	0	110.2
376	E	27.2	Very low	27.7	Very low	180 Å²	180	160 Å²	160	84%	0.841	79%	0.789	S	S	*	*			trans	-107.5	160.1	171.2	-63.2	-174.1	129	0	0	109.2
377	D	28.5	Very low	27.5	Very low	165 Å²	165	157.3 Å²	157.3	88%	0.882	79%	0.785	S	S	*	*			trans	-137.9	147.6	163.1	-145.3	-13.3	0	0	0	112.4
378	V	29.5	Very low	27.2	Very low	125 Å²	125	158.4 Å²	158.4	76%	0.758	79%	0.794	S	S	*	*			trans	-119.7	142.1	-166	177.9	0	0	0	0	108.9
379	G	27.1	Very low	26.9	Very low	62 Å²	62	161 Å²	161	64%	0.639	79%	0.792	S	S	*	*			cis	126.6	113.5	10.8	0	0	0	0	0	110.5
380	I	27.5	Very low	26.7	Very low	175 Å²	175	160 Å²	160	90%	0.897	80%	0.801	S	S	*	*			trans	-132.1	147.2	-176.9	-76.6	179.8	0	0	0	112.3
381	K	28.5	Very low	26.8	Very low	191 Å²	191	161.4 Å²	161.4	83%	0.83	81%	0.805	S	S	*	*			trans	-114.1	144.2	-167.5	-57.8	168.5	-178	170.9	0	113.8
382	K	25.7	Very low	26.7	Very low	206 Å²	206	161.8 Å²	161.8	90%	0.896	82%	0.815	S	S	*	*			trans	-177	122.7	144.5	-93.4	141.6	-171.9	177.4	0	107.6
383	S	22.7	Very low	26.9	Very low	125 Å²	125	158.4 Å²	158.4	87%	0.874	81%	0.814	S	S	*	*				76.7	115	61.1	-170.3	0	0	0	0	114
384	G	25.2	Very low	26.8	Very low	79 Å²	79	155.6 Å²	155.6	81%	0.814	82%	0.819	S	S	*	*			trans	163.8	96	171.9	0	0	0	0	0	116.6
385	R	25.4	Very low	26.6	Very low	240 Å²	240	154.7 Å²	154.7	91%	0.906	82%	0.818	S	S	*	*			trans	-71.5	169.7	173.7	-72.9	169.3	157.1	171.8	-8.4	113.8
386	K	27.5	Very low	26.5	Very low	186 Å²	186	151.3 Å²	151.3	81%	0.809	81%	0.81	S	S	*	*			trans	95	111.8	160.7	-61.6	173.4	179.7	179.3	0	114.5
387	T	25.6	Very low	26.5	Very low	123 Å²	123	149 Å²	149	76%	0.755	80%	0.803	S	S	*	*				66.1	109.6	66.6	67.3	0	0	0	0	115.2
388	L	25.9	Very low	26.4	Very low	173 Å²	173	147.7 Å²	147.7	91%	0.906	79%	0.792	S	S	*	*				177.7	150.8	122.6	-94.9	159.6	0	0	0	111.4
389	K	29.1	Very low	26.4	Very low	184 Å²	184	151.1 Å²	151.1	80%	0.8	79%	0.791	S	S	*	*			trans	-93.1	157.3	159.4	-70.9	-176.6	177.7	-179.9	0	108.4
390	P	26.9	Very low	26.5	Very low	130 Å²	130	153.6 Å²	153.6	84%	0.844	80%	0.799	S	S	*	*				-113.3	173.3	117.2	-13.8	31.7	0	0	0	114.7
391	R	25.6	Very low	26.4	Very low	220 Å²	220	148.7 Å²	148.7	83%	0.83	79%	0.791	S	S	*	*			trans	-112.6	-172.4	174.8	-123.4	-177.2	169	-170	-3.9	108.4
392	M	25.1	Very low	26.3	Very low	152 Å²	152	147.5 Å²	147.5	75%	0.749	79%	0.793	S	S	*	*			trans	92.6	143.3	161	-46.7	-87.4	68.9	0	0	115.4
393	S	26.8	Very low	26.2	Very low	89 Å²	89	146.4 Å²	146.4	62%	0.622	79%	0.791	S	S	*	*			cis	168.6	143.5	-41.8	44.3	0	0	0	0	108.6
394	V	24.7	Very low	26.2	Very low	149 Å²	149	145.1 Å²	145.1	90%	0.903	78%	0.782	S	S	*	*			trans	-136.6	147.6	161.3	-171.8	0	0	0	0	108.4
395	S	26.4	Very low	26.2	Very low	103 Å²	103	149.9 Å²	149.9	72%	0.72	79%	0.785	S	S	*	*			trans	-120	-149.6	-173.9	55	0	0	0	0	111.1
396	V	26.9	Very low	26.2	Very low	121 Å²	121	149.9 Å²	149.9	73%	0.733	79%	0.785	S	S	*	*			trans	90.5	125.8	179.1	-176.1	0	0	0	0	114.4
397	D	25.4	Very low	27	Very low	131 Å²	131	146.5 Å²	146.5	70%	0.701	78%	0.782	S	S	*	*			cis	-159.8	173.3	-24.7	-103.6	-28.8	0	0	0	111.7
398	E	27.6	Very low	27.6	Very low	137 Å²	137	145.5 Å²	145.5	64%	0.64	78%	0.778	S	S	*	*			trans	-11.3	169.4	165	-44.5	-172.7	118.4	0	0	122.1
399	R	28.9	Very low	27.5	Very low	198 Å²	198	144 Å²	144	75%	0.747	77%	0.771	S	S	*	*			cis	-166.5	142.4	27.8	-154.2	176.5	-99.9	-140.8	-8.8	116.5
400	S	28.6	Very low	27.3	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	77%	0.771	S	S	*	*			trans	44.7	138	147.8	66.9	0	0	0	0	125.5
401	G	25.3	Very low	27.3	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	77%	0.773	S	S	*	*			trans	170.1	130.7	150	0	0	0	0	0	114.5
402	L	26.8	Very low	27.5	Very low	165 Å²	165	137.1 Å²	137.1	86%	0.864	77%	0.771	S	S	*	*			trans	-127.4	145.1	177.1	-84.8	74.4	0	0	0	111.2
403	E	23.7	Very low	27.8	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	77%	0.77	S	S	*	*				163.4	122.6	111.1	-83.4	-150.5	126.5	0	0	115.4
404	S	23.8	Very low	28.2	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	78%	0.775	S	S	*	*			trans	42.4	146.5	134.2	-126.7	0	0	0	0	126.9
405	M	24.4	Very low	28.5	Very low	179 Å²	179	138.8 Å²	138.8	88%	0.882	77%	0.77	S	S	*	*			trans	85.2	157.3	156.4	-57.2	-54.9	177.5	0	0	122.2
406	R	24.9	Very low	29	Very low	240 Å²	240	141.9 Å²	141.9	91%	0.906	77%	0.773	S	S	*	*			trans	-154.7	174.7	-168.1	-100.5	-173.1	-179.8	-172.3	1.4	107.8
407	P	44.4	Very low	29.5	Very low	114 Å²	114	142.3 Å²	142.3	74%	0.74	77%	0.771	S	S	*	*			cis	-123.6	-149	-23.2	40.8	-21.4	0	0	0	109
408	P	38.5	Very low	30.4	Very low	103 Å²	103	140.9 Å²	140.9	67%	0.669	77%	0.768	S	S	*	*			cis	-135.5	-176.6	-9.9	44	-26.1	0	0	0	117.3
409	N	23.8	Very low	31.5	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	76%	0.764	S	S	*	*			trans	80.9	115.7	157.4	-70.4	5.6	0	0	0	122.2
410	N	26.2	Very low	33	Very low	151 Å²	151	134 Å²	134	81%	0.807	75%	0.75	S	S	*	*			trans	64.1	85	139.2	-63.1	11.9	0	0	0	120.8
411	S	26.4	Very low	34.7	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	72%	0.722	S	S	*	*				-151.2	149.4	121	17.7	0	0	0	0	109.3
412	S	28.9	Very low	36.7	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	71%	0.711	S	S	*	*			trans	-83	161.3	177.9	52.3	0	0	0	0	111.3
413	P	32.4	Very low	38.9	Very low	112 Å²	112	122 Å²	122	73%	0.727	67%	0.669	S	S	*	*				-143.2	152.7	94.2	37.7	-23.5	0	0	0	115.5
414	I	33.8	Very low	40.9	Very low	141 Å²	141	121.3 Å²	121.3	72%	0.723	67%	0.667	S	S	*	*			trans	41.8	108.1	142.1	-51.8	164.7	0	0	0	117	E416	I414-E416 HydrophobicContact CG2-CG 4.02Å
415	Q	32.5	Very low	42.7	Very low	172 Å²	172	119.6 Å²	119.6	80%	0.804	65%	0.649	S	S	*	*			trans	-98.4	137.4	138.4	-74.1	-175.9	-115.3	0	0	107.9	D417	Q415-D417 PolarHBondContact O-N 3.44Å
416	E	37	Very low	44.8	Very low	169 Å²	169	113.9 Å²	113.9	79%	0.79	63%	0.626	S	S	*	*			trans	-83.2	89	168.5	-67.4	174.3	152.8	0	0	107.7	I414 T418	I414-E416 HydrophobicContact CG2-CG 4.02Å; E416-T418 PolarHBondContact O-N 2.8Å
417	D	35.4	Very low	46.8	Very low	130 Å²	130	105.3 Å²	105.3	70%	0.695	61%	0.613	S	S	*	*			trans	-67.1	99.5	164.1	-74.3	-47.7	0	0	0	107.4	Q415 D419	Q415-D417 PolarHBondContact O-N 3.44Å; D417-D419 PolarHBondContact O-N 3.15Å
418	T	46.2	Very low	48.1	Very low	101 Å²	101	103.7 Å²	103.7	62%	0.62	60%	0.597	S	S	*	*			trans	-75.4	95.2	176.3	52.1	0	0	0	0	108.9	E416 N420	E416-T418 PolarHBondContact O-N 2.8Å; T418-N420 PolarHBondContact O-N 3.09Å; T418-N420 PolarHBondContact O-ND2 3.43Å; T418-N420 PolarHBondContact OG1-ND2 3.41Å
419	D	49.8	Very low	49.5	Very low	107 Å²	107	104 Å²	104	57%	0.572	60%	0.597	S	S	*	*			trans	-63.9	103.3	175.7	-74.7	-47.9	0	0	0	110.4	D417 E432	D417-D419 PolarHBondContact O-N 3.15Å; D419-E432 HydrophobicContact CB-CG 4.18Å; D419-E432 PolarHBondContact O-N 2.83Å
420	N	60	Low	51.9	Low	84 Å²	84	98.7 Å²	98.7	45%	0.449	57%	0.569	S	S	.	*			trans	-104.3	82.1	-178.6	-78.9	-86.5	0	0	0	109.7	T418 I430	T418-N420 PolarHBondContact O-N 3.09Å; T418-N420 PolarHBondContact O-ND2 3.43Å; T418-N420 PolarHBondContact OG1-ND2 3.41Å; N420-I430 CarbonylContact C-O 3.45Å; N420-I430 VanDerWaalsContact C-O 3.24Å; N420-I430 VanDerWaalsContact CA-O 3.27Å; N420-I430 WeakPolarHBondContact CA-O 3.33Å
421	A	64.8	Low	54	Low	24 Å²	24	94.1 Å²	94.1	20%	0.198	55%	0.546	C	S	.	.			trans	-65.1	143.4	176.7	0	0	0	0	0	112.6	I430 E432 L435	A421-I430 PolarHBondContact N-O 3.27Å; A421-I430 PolarHBondContact O-N 3.5Å; A421-E432 HydrophobicContact CB-CG 3.94Å; A421-L435 HydrophobicContact CB-CD1 4.49Å; A421-L435 HydrophobicContact CB-CD2 3.85Å
422	S	68.2	Low	55.8	Low	73 Å²	73	93.9 Å²	93.9	51%	0.51	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.5	175.2	55.2	0	0	0	0	111.3	E424 L428	S422-E424 PolarHBondContact O-N 3.02Å; S422-L428 WeakPolarHBondContact CA-O 3.22Å
423	C	71.3	Confident	57.3	Low	0 Å²	0	97 Å²	97	0%	0	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	114.3	173.5	175.6	0	0	0	0	110.1	L425 C426 G427 L428 I430 L435 Y439 H443	C423-L425 PolarHBondContact O-N 2.84Å; C423-L425 VanDerWaalsContact O-N 3.07Å; C423-C426 PolarHBondContact O-N 3.3Å; C423-G427 WeakPolarHBondContact O-CA 3.17Å; C423-G427 PolarHBondContact O-N 3.22Å; C423-L428 PolarHBondContact N-O 2.93Å; C423-I430 HydrophobicContact CB-CD1 4.36Å; C423-L435 HydrophobicContact CB-CD1 3.97Å; C423-Y439 WeakPolarHBondContact SG-CE1 3.21Å; C423-Y439 VanDerWaalsContact SG-CZ 3.59Å; C423-H443 PolarHBondContact SG-NE2 3.21Å
424	E	65.9	Low	58.9	Low	171 Å²	171	95.8 Å²	95.8	80%	0.799	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	-175.5	-58.1	-173.8	161.1	0	0	113.4	S422 Y439	S422-E424 PolarHBondContact O-N 3.02Å; E424-Y439 PolarHBondContact N-OH 3.26Å; E424-Y439 VanDerWaalsContact N-OH 3.13Å
425	L	61.4	Low	60.5	Low	62 Å²	62	90.7 Å²	90.7	33%	0.325	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.9	-175.7	-60.9	-177.3	0	0	0	114.9	C423 Y439 H443 V458	C423-L425 PolarHBondContact O-N 2.84Å; C423-L425 VanDerWaalsContact O-N 3.07Å; L425-Y439 HydrophobicContact CB-CE1 4.48Å; L425-Y439 HydrophobicContact CD1-CD1 4.21Å; L425-Y439 HydrophobicContact CD1-CE1 3.85Å; L425-Y439 HydrophobicContact CG-CE1 4.01Å; L425-H443 HydrophobicContact CD1-CB 3.95Å; L425-V458 HydrophobicContact CD1-CB 4.45Å; L425-V458 HydrophobicContact CD1-CG1 3.76Å; L425-V458 HydrophobicContact CD1-CG2 3.8Å; L425-V458 HydrophobicContact CD2-CB 4.33Å; L425-V458 HydrophobicContact CD2-CG1 3.85Å; L425-V458 HydrophobicContact CD2-CG2 4.02Å; L425-V458 HydrophobicContact CG-CG1 4.46Å; L425-V458 HydrophobicContact CG-CG2 4.44Å
426	C	69.3	Low	61.8	Low	59 Å²	59	86.2 Å²	86.2	40%	0.399	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	4.8	177.5	65	0	0	0	0	115.4	C423 L428 H438	C423-C426 PolarHBondContact O-N 3.3Å; C426-L428 PolarHBondContact O-N 3.04Å; C426-H438 PolarHBondContact SG-NE2 2.82Å
427	G	66.9	Low	63.1	Low	60 Å²	60	80.9 Å²	80.9	62%	0.619	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	21.1	176.6	0	0	0	0	0	114.8	C423	C423-G427 WeakPolarHBondContact O-CA 3.17Å; C423-G427 PolarHBondContact O-N 3.22Å
428	L	72.3	Confident	64.8	Low	79 Å²	79	75.6 Å²	75.6	41%	0.414	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	178.2	-70.5	175.9	0	0	0	109.8	S422 C423 C426 I430	S422-L428 WeakPolarHBondContact CA-O 3.22Å; C423-L428 PolarHBondContact N-O 2.93Å; C426-L428 PolarHBondContact O-N 3.04Å; L428-I430 HydrophobicContact CB-CD1 4.15Å; L428-I430 HydrophobicContact CB-CG1 4.23Å
429	T	67.7	Low	65.7	Low	109 Å²	109	73.3 Å²	73.3	67%	0.669	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.8	169.8	49.8	0	0	0	0	109.9
430	I	73.6	Confident	66	Low	29 Å²	29	73.4 Å²	73.4	15%	0.149	42%	0.415	C	S	.	.			trans	-140.8	152.3	-173.1	-54.8	170.8	0	0	0	106.8	N420 A421 C423 L428 D434 H438	N420-I430 CarbonylContact C-O 3.45Å; N420-I430 VanDerWaalsContact C-O 3.24Å; N420-I430 VanDerWaalsContact CA-O 3.27Å; N420-I430 WeakPolarHBondContact CA-O 3.33Å; A421-I430 PolarHBondContact N-O 3.27Å; A421-I430 PolarHBondContact O-N 3.5Å; C423-I430 HydrophobicContact CB-CD1 4.36Å; L428-I430 HydrophobicContact CB-CD1 4.15Å; L428-I430 HydrophobicContact CB-CG1 4.23Å; I430-D434 HydrophobicContact CG2-CB 3.54Å; I430-H438 HydrophobicContact CD1-CB 3.66Å; I430-H438 VanDerWaalsContact CD1-ND1 3.26Å; I430-H438 WeakPolarHBondContact CD1-ND1 3.42Å
431	T	71.1	Confident	66	Low	55 Å²	55	73.2 Å²	73.2	34%	0.337	43%	0.426	S	S	.	.			trans	-61.2	147.2	169.2	47	0	0	0	0	110.3	E433 D434 L435	T431-E433 PolarHBondContact O-N 3.42Å; T431-E433 VanDerWaalsContact O-N 3.16Å; T431-D434 PolarHBondContact O-N 2.88Å; T431-D434 VanDerWaalsContact O-N 3.09Å; T431-L435 PolarHBondContact O-N 2.72Å
432	E	62.9	Low	65.7	Low	122 Å²	122	78.8 Å²	78.8	57%	0.57	45%	0.446	S	S	*	.	H	α-helix	trans	-55.9	-34.9	179.6	-72.2	-158	147	0	0	113.2	D419 A421 D434 L435	D419-E432 HydrophobicContact CB-CG 4.18Å; D419-E432 PolarHBondContact O-N 2.83Å; A421-E432 HydrophobicContact CB-CG 3.94Å; E432-D434 PolarHBondContact O-N 3.29Å; E432-L435 WeakPolarHBondContact O-CB 3.39Å; E432-L435 PolarHBondContact O-N 3.03Å
433	E	61.8	Low	65.2	Low	177 Å²	177	76.2 Å²	76.2	83%	0.827	43%	0.425	S	S	*	.	H	α-helix	trans	-59.3	-43.8	176.4	-57.8	-172.2	148.8	0	0	112.6	T431	T431-E433 PolarHBondContact O-N 3.42Å; T431-E433 VanDerWaalsContact O-N 3.16Å
434	D	65.4	Low	64.7	Low	88 Å²	88	80.6 Å²	80.6	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-89.2	-7.6	179.1	-93.6	-42.2	0	0	0	113.8	I430 T431 E432 S436 S437 H438	I430-D434 HydrophobicContact CG2-CB 3.54Å; T431-D434 PolarHBondContact O-N 2.88Å; T431-D434 VanDerWaalsContact O-N 3.09Å; E432-D434 PolarHBondContact O-N 3.29Å; D434-S436 VanDerWaalsContact C-N 3.27Å; D434-S436 PolarHBondContact O-N 3.31Å; D434-S437 WeakPolarHBondContact CA-OG 3.4Å; D434-S437 PolarHBondContact O-N 3.24Å; D434-S437 PolarHBondContact O-OG 3.47Å; D434-S437 PolarHBondContact OD1-OG 3.07Å; D434-H438 WeakPolarHBondContact O-CB 3.18Å; D434-H438 PolarHBondContact O-N 3.08Å
435	L	66.9	Low	64.1	Low	33 Å²	33	80.1 Å²	80.1	17%	0.173	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-40.9	176.4	-171.1	73.2	0	0	0	110.9	A421 C423 T431 E432 H438 Y439	A421-L435 HydrophobicContact CB-CD1 4.49Å; A421-L435 HydrophobicContact CB-CD2 3.85Å; C423-L435 HydrophobicContact CB-CD1 3.97Å; T431-L435 PolarHBondContact O-N 2.72Å; E432-L435 WeakPolarHBondContact O-CB 3.39Å; E432-L435 PolarHBondContact O-N 3.03Å; L435-H438 WeakPolarHBondContact O-CB 3.47Å; L435-H438 PolarHBondContact O-N 3.11Å; L435-Y439 HydrophobicContact CD1-CE2 3.99Å; L435-Y439 HydrophobicContact CD2-CE2 4.08Å; L435-Y439 HydrophobicContact CG-CD2 4.04Å; L435-Y439 HydrophobicContact CG-CE2 3.73Å; L435-Y439 WeakPolarHBondContact O-CD2 3.22Å; L435-Y439 PolarHBondContact O-N 3.36Å
436	S	60.5	Low	63.7	Low	79 Å²	79	80.5 Å²	80.5	55%	0.552	45%	0.448	S	S	*	.	H	α-helix	trans	-68.5	-42.2	177	-66.6	0	0	0	0	112.4	D434 H438 Y439 L440	D434-S436 VanDerWaalsContact C-N 3.27Å; D434-S436 PolarHBondContact O-N 3.31Å; S436-H438 VanDerWaalsContact C-N 3.3Å; S436-H438 PolarHBondContact O-N 3.43Å; S436-Y439 PolarHBondContact O-N 3.22Å; S436-L440 WeakPolarHBondContact O-CG 3.36Å; S436-L440 PolarHBondContact O-N 3.24Å; S436-L440 VanDerWaalsContact O-N 3.14Å
437	S	64.4	Low	63.2	Low	57 Å²	57	80.4 Å²	80.4	40%	0.399	44%	0.443	S	S	.	.	H	α-helix	trans	-63.8	-39.1	176.5	79	0	0	0	0	110.5	D434 L440 A441	D434-S437 WeakPolarHBondContact CA-OG 3.4Å; D434-S437 PolarHBondContact O-N 3.24Å; D434-S437 PolarHBondContact O-OG 3.47Å; D434-S437 PolarHBondContact OD1-OG 3.07Å; S437-L440 PolarHBondContact O-N 2.97Å; S437-A441 WeakPolarHBondContact O-CB 3.47Å; S437-A441 PolarHBondContact O-N 2.76Å
438	H	71.5	Confident	62.8	Low	19 Å²	19	79 Å²	79	9%	0.088	42%	0.423	C	S	.	.	H	α-helix	trans	-62.6	-48.8	175.4	178.7	92.2	0	0	0	113.3	C426 I430 D434 L435 S436 L440 A441 K442 H443	C426-H438 PolarHBondContact SG-NE2 2.82Å; I430-H438 HydrophobicContact CD1-CB 3.66Å; I430-H438 VanDerWaalsContact CD1-ND1 3.26Å; I430-H438 WeakPolarHBondContact CD1-ND1 3.42Å; D434-H438 WeakPolarHBondContact O-CB 3.18Å; D434-H438 PolarHBondContact O-N 3.08Å; L435-H438 WeakPolarHBondContact O-CB 3.47Å; L435-H438 PolarHBondContact O-N 3.11Å; S436-H438 VanDerWaalsContact C-N 3.3Å; S436-H438 PolarHBondContact O-N 3.43Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.37Å; H438-A441 PolarHBondContact O-N 3.12Å; H438-K442 PolarHBondContact O-N 2.84Å; H438-H443 AromaticContact CD2-CD2 3.68Å; H438-H443 AromaticContact CD2-NE2 3.74Å; H438-H443 AromaticContact NE2-CD2 3.58Å; H438-H443 AromaticContact NE2-NE2 3.15Å; H438-H443 PolarHBondContact NE2-NE2 3.13Å; H438-H443 VanDerWaalsContact NE2-NE2 3.15Å
439	Y	64.3	Low	62.2	Low	52 Å²	52	78.6 Å²	78.6	20%	0.204	43%	0.432	C	S	.	.	I	π-helix	trans	-58.6	-43.3	176.3	-82.5	-63.4	0	0	0	111.5	C423 E424 L425 L435 S436 H443 I444	C423-Y439 WeakPolarHBondContact SG-CE1 3.21Å; C423-Y439 VanDerWaalsContact SG-CZ 3.59Å; E424-Y439 PolarHBondContact N-OH 3.26Å; E424-Y439 VanDerWaalsContact N-OH 3.13Å; L425-Y439 HydrophobicContact CB-CE1 4.48Å; L425-Y439 HydrophobicContact CD1-CD1 4.21Å; L425-Y439 HydrophobicContact CD1-CE1 3.85Å; L425-Y439 HydrophobicContact CG-CE1 4.01Å; L435-Y439 HydrophobicContact CD1-CE2 3.99Å; L435-Y439 HydrophobicContact CD2-CE2 4.08Å; L435-Y439 HydrophobicContact CG-CD2 4.04Å; L435-Y439 HydrophobicContact CG-CE2 3.73Å; L435-Y439 WeakPolarHBondContact O-CD2 3.22Å; L435-Y439 PolarHBondContact O-N 3.36Å; S436-Y439 PolarHBondContact O-N 3.22Å; Y439-H443 HydrophobicContact CD1-CB 4.16Å; Y439-H443 AromaticContact CD1-CD2 3.81Å; Y439-H443 CarbonylContact O-C 3.56Å; Y439-H443 WeakPolarHBondContact O-CA 3.33Å; Y439-H443 WeakPolarHBondContact O-CB 3.48Å; Y439-H443 PolarHBondContact O-N 3.26Å; Y439-I444 PolarHBondContact O-N 3.24Å; Y439-I444 VanDerWaalsContact O-N 3.11Å
440	L	56.8	Low	61.8	Low	109 Å²	109	74.1 Å²	74.1	57%	0.571	40%	0.404	S	S	*	.	I	π-helix	trans	-72.7	-26.9	178.8	-66.6	171.8	0	0	0	113.8	S436 S437 H438 I444	S436-L440 WeakPolarHBondContact O-CG 3.36Å; S436-L440 PolarHBondContact O-N 3.24Å; S436-L440 VanDerWaalsContact O-N 3.14Å; S437-L440 PolarHBondContact O-N 2.97Å; H438-L440 VanDerWaalsContact C-N 3.3Å; H438-L440 PolarHBondContact O-N 3.37Å; L440-I444 HydrophobicContact CD2-CD1 4.05Å; L440-I444 VanDerWaalsContact O-CB 3.29Å; L440-I444 WeakPolarHBondContact O-CB 3.12Å; L440-I444 WeakPolarHBondContact O-CG2 3.34Å
441	A	59.9	Low	60.7	Low	81 Å²	81	77 Å²	77	67%	0.669	44%	0.441	S	S	*	.	I	π-helix	trans	-90.2	-30.6	-179.5	0	0	0	0	0	114.3	S437 H438	S437-A441 WeakPolarHBondContact O-CB 3.47Å; S437-A441 PolarHBondContact O-N 2.76Å; H438-A441 PolarHBondContact O-N 3.12Å
442	K	58.5	Low	59.8	Low	141 Å²	141	81.4 Å²	81.4	61%	0.613	46%	0.456	S	S	*	.	I	π-helix	trans	-118.6	-21.9	-173.7	-73	-174.4	175.9	178.7	0	115.4	H438	H438-K442 PolarHBondContact O-N 2.84Å
443	H	57.7	Low	59.8	Low	19 Å²	19	79 Å²	79	9%	0.088	45%	0.451	C	S	.	.	I	π-helix	trans	-116.8	-2.9	-175.7	-60.2	-69.4	0	0	0	113.8	C423 L425 H438 Y439 E445 N446 I447	C423-H443 PolarHBondContact SG-NE2 3.21Å; L425-H443 HydrophobicContact CD1-CB 3.95Å; H438-H443 AromaticContact CD2-CD2 3.68Å; H438-H443 AromaticContact CD2-NE2 3.74Å; H438-H443 AromaticContact NE2-CD2 3.58Å; H438-H443 AromaticContact NE2-NE2 3.15Å; H438-H443 PolarHBondContact NE2-NE2 3.13Å; H438-H443 VanDerWaalsContact NE2-NE2 3.15Å; Y439-H443 HydrophobicContact CD1-CB 4.16Å; Y439-H443 AromaticContact CD1-CD2 3.81Å; Y439-H443 CarbonylContact O-C 3.56Å; Y439-H443 WeakPolarHBondContact O-CA 3.33Å; Y439-H443 WeakPolarHBondContact O-CB 3.48Å; Y439-H443 PolarHBondContact O-N 3.26Å; H443-E445 VanDerWaalsContact C-N 3.31Å; H443-E445 PolarHBondContact O-N 3.46Å; H443-N446 CarbonylContact O-C 3.57Å; H443-N446 VanDerWaalsContact O-C 3.24Å; H443-N446 VanDerWaalsContact O-CA 3.22Å; H443-N446 WeakPolarHBondContact O-CA 3.49Å; H443-N446 WeakPolarHBondContact O-CB 3.48Å; H443-N446 PolarHBondContact O-N 2.94Å; H443-I447 HydrophobicContact CB-CD1 4.41Å; H443-I447 WeakPolarHBondContact O-CG1 3.4Å; H443-I447 PolarHBondContact O-N 3.04Å; H443-I447 VanDerWaalsContact O-N 3.1Å
444	I	60.6	Low	59.4	Low	92 Å²	92	73.1 Å²	73.1	47%	0.472	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-60.3	-34.4	-176.7	-161.3	167.4	0	0	0	114	Y439 L440 N446 I447	Y439-I444 PolarHBondContact O-N 3.24Å; Y439-I444 VanDerWaalsContact O-N 3.11Å; L440-I444 HydrophobicContact CD2-CD1 4.05Å; L440-I444 VanDerWaalsContact O-CB 3.29Å; L440-I444 WeakPolarHBondContact O-CB 3.12Å; L440-I444 WeakPolarHBondContact O-CG2 3.34Å; I444-N446 PolarHBondContact O-N 3.06Å; I444-I447 PolarHBondContact O-N 2.98Å; I444-I447 VanDerWaalsContact O-N 3.09Å
445	E	53.3	Low	59	Low	160 Å²	160	74 Å²	74	75%	0.748	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.4	172.8	-60.5	-166.6	168.5	0	0	112.9	H443 K459	H443-E445 VanDerWaalsContact C-N 3.31Å; H443-E445 PolarHBondContact O-N 3.46Å; E445-K459 WeakPolarHBondContact O-CD 3.49Å; E445-K459 PolarHBondContact O-NZ 2.81Å
446	N	53.3	Low	58.4	Low	70 Å²	70	78.4 Å²	78.4	37%	0.374	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-103.4	8.6	175.9	-61	-37.4	0	0	0	112.8	H443 I444 V458 K459	H443-N446 CarbonylContact O-C 3.57Å; H443-N446 VanDerWaalsContact O-C 3.24Å; H443-N446 VanDerWaalsContact O-CA 3.22Å; H443-N446 WeakPolarHBondContact O-CA 3.49Å; H443-N446 WeakPolarHBondContact O-CB 3.48Å; H443-N446 PolarHBondContact O-N 2.94Å; I444-N446 PolarHBondContact O-N 3.06Å; N446-V458 HydrophobicContact CB-CG1 4.41Å; N446-V458 CarbonylContact O-C 3.24Å; N446-V458 WeakPolarHBondContact O-CA 3.49Å; N446-V458 WeakPolarHBondContact O-CG1 3.47Å; N446-K459 HydrophobicContact CB-CB 4.35Å; N446-K459 VanDerWaalsContact O-CB 3.22Å; N446-K459 WeakPolarHBondContact O-CB 3.27Å; N446-K459 PolarHBondContact O-N 3.06Å
447	I	58.3	Low	58.4	Low	58 Å²	58	75.5 Å²	75.5	30%	0.297	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.1	175.5	-71.4	166.9	0	0	0	109.6	H443 I444 I456	H443-I447 HydrophobicContact CB-CD1 4.41Å; H443-I447 WeakPolarHBondContact O-CG1 3.4Å; H443-I447 PolarHBondContact O-N 3.04Å; H443-I447 VanDerWaalsContact O-N 3.1Å; I444-I447 PolarHBondContact O-N 2.98Å; I444-I447 VanDerWaalsContact O-N 3.09Å; I447-I456 HydrophobicContact CG2-CG2 3.54Å
448	C	58.9	Low	58.3	Low	29 Å²	29	74.4 Å²	74.4	20%	0.196	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.7	-175.9	48.7	0	0	0	0	110.8	L457 L463	C448-L457 PolarHBondContact N-O 2.75Å; C448-L457 WeakPolarHBondContact O-CB 3.42Å; C448-L457 PolarHBondContact O-N 3.31Å; C448-L457 VanDerWaalsContact O-O 3.13Å; C448-L457 PolarHBondContact SG-O 3.46Å; C448-L463 HydrophobicContact CB-CD2 4.47Å
449	A	59.3	Low	57.3	Low	72 Å²	72	79.3 Å²	79.3	60%	0.595	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.8	174.8	0	0	0	0	0	111	G451 Q455	A449-G451 PolarHBondContact O-N 2.99Å; A449-Q455 WeakPolarHBondContact CA-O 3.36Å
450	C	59.8	Low	57.1	Low	14 Å²	14	78.9 Å²	78.9	10%	0.095	46%	0.463	C	S	.	.			trans	-72.3	113.3	173.5	-178.5	0	0	0	0	110.9	K452 C453 G454 Q455 L457 H466 C470	C450-K452 PolarHBondContact O-N 2.88Å; C450-C453 PolarHBondContact O-N 2.93Å; C450-G454 WeakPolarHBondContact O-CA 3.45Å; C450-G454 PolarHBondContact O-N 3.25Å; C450-Q455 PolarHBondContact N-O 3.07Å; C450-L457 HydrophobicContact CB-CD1 3.77Å; C450-H466 WeakPolarHBondContact CB-NE2 3.37Å; C450-H466 VanDerWaalsContact SG-CD2 3.57Å; C450-H466 PolarHBondContact SG-NE2 3.14Å; C450-C470 VanDerWaalsContact SG-SG 3.64Å
451	G	49.2	Very low	56.7	Low	90 Å²	90	83 Å²	83	93%	0.928	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	0.1	-179.8	0	0	0	0	0	116.3	A449	A449-G451 PolarHBondContact O-N 2.99Å
452	K	53	Low	56.5	Low	148 Å²	148	84.1 Å²	84.1	64%	0.643	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-38.8	174.2	-71.6	176.3	173.4	176.4	0	113.4	C450 C470	C450-K452 PolarHBondContact O-N 2.88Å; K452-C470 WeakPolarHBondContact CB-SG 3.49Å; K452-C470 HydrophobicContact CD-CB 4.11Å; K452-C470 WeakPolarHBondContact CD-O 3.41Å; K452-C470 PolarHBondContact NZ-O 3.44Å
453	C	62.3	Low	56.5	Low	70 Å²	70	80.2 Å²	80.2	47%	0.473	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-5	-172.3	67.2	0	0	0	0	114.6	C450 Q455 H466	C450-C453 PolarHBondContact O-N 2.93Å; C453-Q455 PolarHBondContact O-N 2.79Å; C453-H466 VanDerWaalsContact SG-CE1 3.54Å; C453-H466 PolarHBondContact SG-NE2 3.35Å
454	G	54.2	Low	56.5	Low	54 Å²	54	85.2 Å²	85.2	56%	0.557	47%	0.472	S	S	*	.			trans	77.7	-6.1	-178.9	0	0	0	0	0	115.7	C450 I456	C450-G454 WeakPolarHBondContact O-CA 3.45Å; C450-G454 PolarHBondContact O-N 3.25Å; G454-I456 PolarHBondContact O-N 2.81Å
455	Q	57.2	Low	56.4	Low	107 Å²	107	84.2 Å²	84.2	50%	0.5	47%	0.465	S	S	.	.			trans	-62	133.1	-178.1	-168.8	170.5	13.2	0	0	111.5	A449 C450 C453 L457 H466	A449-Q455 WeakPolarHBondContact CA-O 3.36Å; C450-Q455 PolarHBondContact N-O 3.07Å; C453-Q455 PolarHBondContact O-N 2.79Å; Q455-L457 HydrophobicContact CG-CD2 4.1Å; Q455-L457 HydrophobicContact CG-CG 4.44Å; Q455-H466 PolarHBondContact OE1-CE1 2.85Å; Q455-H466 PolarHBondContact OE1-ND1 3.08Å
456	I	52.8	Low	57.1	Low	126 Å²	126	78 Å²	78	65%	0.646	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.5	173.9	-56.5	177.3	0	0	0	108.1	I447 G454	I447-I456 HydrophobicContact CG2-CG2 3.54Å; G454-I456 PolarHBondContact O-N 2.81Å
457	L	61.5	Low	57.4	Low	17 Å²	17	77.2 Å²	77.2	9%	0.089	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	161	-171.8	-60.7	164	0	0	0	110.6	C448 C450 Q455 L463 H466	C448-L457 PolarHBondContact N-O 2.75Å; C448-L457 WeakPolarHBondContact O-CB 3.42Å; C448-L457 PolarHBondContact O-N 3.31Å; C448-L457 VanDerWaalsContact O-O 3.13Å; C448-L457 PolarHBondContact SG-O 3.46Å; C450-L457 HydrophobicContact CB-CD1 3.77Å; Q455-L457 HydrophobicContact CG-CD2 4.1Å; Q455-L457 HydrophobicContact CG-CG 4.44Å; L457-L463 HydrophobicContact CD1-CD1 3.89Å; L457-H466 HydrophobicContact CD1-CB 3.72Å; L457-H466 WeakPolarHBondContact CD1-CD2 3.49Å; L457-H466 HydrophobicContact CD2-CB 4.07Å
458	V	61.9	Low	57.5	Low	35 Å²	35	81.3 Å²	81.3	21%	0.212	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.1	175.6	-170.3	0	0	0	0	110.6	L425 N446 G460 L463	L425-V458 HydrophobicContact CD1-CB 4.45Å; L425-V458 HydrophobicContact CD1-CG1 3.76Å; L425-V458 HydrophobicContact CD1-CG2 3.8Å; L425-V458 HydrophobicContact CD2-CB 4.33Å; L425-V458 HydrophobicContact CD2-CG1 3.85Å; L425-V458 HydrophobicContact CD2-CG2 4.02Å; L425-V458 HydrophobicContact CG-CG1 4.46Å; L425-V458 HydrophobicContact CG-CG2 4.44Å; N446-V458 HydrophobicContact CB-CG1 4.41Å; N446-V458 CarbonylContact O-C 3.24Å; N446-V458 WeakPolarHBondContact O-CA 3.49Å; N446-V458 WeakPolarHBondContact O-CG1 3.47Å; V458-G460 PolarHBondContact O-N 2.91Å; V458-L463 PolarHBondContact O-N 3.12Å; V458-L463 VanDerWaalsContact O-N 3.16Å
459	K	51.1	Low	57.5	Low	122 Å²	122	87.4 Å²	87.4	53%	0.53	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	123.9	-173.9	-171.6	-173.9	-173.9	-173.3	0	110.5	E445 N446	E445-K459 WeakPolarHBondContact O-CD 3.49Å; E445-K459 PolarHBondContact O-NZ 2.81Å; N446-K459 HydrophobicContact CB-CB 4.35Å; N446-K459 VanDerWaalsContact O-CB 3.22Å; N446-K459 WeakPolarHBondContact O-CB 3.27Å; N446-K459 PolarHBondContact O-N 3.06Å
460	G	59.5	Low	57.1	Low	42 Å²	42	84.9 Å²	84.9	43%	0.433	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.9	-142.9	-170.4	0	0	0	0	0	110.5	V458 Q462 L463 Q464	V458-G460 PolarHBondContact O-N 2.91Å; G460-Q462 VanDerWaalsContact C-N 3.33Å; G460-Q462 PolarHBondContact O-N 2.82Å; G460-L463 PolarHBondContact O-N 2.9Å; G460-L463 VanDerWaalsContact O-N 3.17Å; G460-Q464 PolarHBondContact O-N 3.49Å
461	R	47.7	Very low	56.6	Low	197 Å²	197	87.7 Å²	87.7	74%	0.743	49%	0.485	S	S	*	.	H	α-helix	trans	-55.5	-42.3	-172.1	-166.6	-174.7	-67.1	-179.9	-0.5	113.2	Q464 E465	R461-Q464 PolarHBondContact O-N 2.95Å; R461-E465 WeakPolarHBondContact CD-OE1 3.42Å; R461-E465 HydrophobicContact CG-CG 4.27Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 WeakPolarHBondContact O-CB 3.41Å; R461-E465 WeakPolarHBondContact O-CG 3.38Å; R461-E465 PolarHBondContact O-N 2.88Å
462	Q	55.8	Low	56.3	Low	104 Å²	104	91.2 Å²	91.2	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-61.7	-46.5	178.6	-70.6	-176	-4.3	0	0	112.5	G460 Q464 H466	G460-Q462 VanDerWaalsContact C-N 3.33Å; G460-Q462 PolarHBondContact O-N 2.82Å; Q462-Q464 VanDerWaalsContact C-N 3.32Å; Q462-Q464 PolarHBondContact O-N 2.77Å; Q462-H466 WeakPolarHBondContact O-CB 3.22Å; Q462-H466 PolarHBondContact O-N 3.47Å
463	L	59.8	Low	55.6	Low	58 Å²	58	89.4 Å²	89.4	30%	0.304	48%	0.481	S	S	.	.	H	α-helix	trans	-59.7	-41.8	173.5	178.2	66.5	0	0	0	111.8	C448 L457 V458 G460 H466 A467	C448-L463 HydrophobicContact CB-CD2 4.47Å; L457-L463 HydrophobicContact CD1-CD1 3.89Å; V458-L463 PolarHBondContact O-N 3.12Å; V458-L463 VanDerWaalsContact O-N 3.16Å; G460-L463 PolarHBondContact O-N 2.9Å; G460-L463 VanDerWaalsContact O-N 3.17Å; L463-H466 PolarHBondContact O-N 3.44Å; L463-A467 WeakPolarHBondContact O-CB 3.47Å; L463-A467 PolarHBondContact O-N 3.41Å
464	Q	56.8	Low	54.6	Low	125 Å²	125	94.8 Å²	94.8	58%	0.584	50%	0.499	S	S	*	.	H	α-helix	trans	-69.6	-45.2	-176.9	-165.7	171.2	12.8	0	0	112.1	G460 R461 Q462 A467 Q468	G460-Q464 PolarHBondContact O-N 3.49Å; R461-Q464 PolarHBondContact O-N 2.95Å; Q462-Q464 VanDerWaalsContact C-N 3.32Å; Q462-Q464 PolarHBondContact O-N 2.77Å; Q464-A467 PolarHBondContact O-N 3.14Å; Q464-Q468 WeakPolarHBondContact O-CG 3.48Å; Q464-Q468 PolarHBondContact O-N 3.5Å; Q464-Q468 VanDerWaalsContact O-N 3.16Å
465	E	59.4	Low	53.4	Low	70 Å²	70	99.1 Å²	99.1	33%	0.327	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-42.3	172.5	-78.9	-168.4	-126.3	0	0	112.3	R461 Q468 R469	R461-E465 WeakPolarHBondContact CD-OE1 3.42Å; R461-E465 HydrophobicContact CG-CG 4.27Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 WeakPolarHBondContact O-CB 3.41Å; R461-E465 WeakPolarHBondContact O-CG 3.38Å; R461-E465 PolarHBondContact O-N 2.88Å; E465-Q468 PolarHBondContact O-N 2.68Å; E465-R469 PolarHBondContact O-N 3.33Å; E465-R469 IonicContact OE2-CZ 3.61Å; E465-R469 VanDerWaalsContact OE2-CZ 3.31Å; E465-R469 IonicContact OE2-NH1 3.84Å; E465-R469 PolarHBondContact OE2-NH1 3.18Å; E465-R469 IonicContact OE2-NH2 3.12Å; E465-R469 PolarHBondContact OE2-NH2 3.01Å
466	H	67.2	Low	52.6	Low	30 Å²	30	102 Å²	102	14%	0.139	53%	0.527	C	S	.	.	H	α-helix	trans	-65.2	-42.5	175.2	-179.2	100.6	0	0	0	111.2	C450 C453 Q455 L457 Q462 L463 Q468 R469 C470	C450-H466 WeakPolarHBondContact CB-NE2 3.37Å; C450-H466 VanDerWaalsContact SG-CD2 3.57Å; C450-H466 PolarHBondContact SG-NE2 3.14Å; C453-H466 VanDerWaalsContact SG-CE1 3.54Å; C453-H466 PolarHBondContact SG-NE2 3.35Å; Q455-H466 PolarHBondContact OE1-CE1 2.85Å; Q455-H466 PolarHBondContact OE1-ND1 3.08Å; L457-H466 HydrophobicContact CD1-CB 3.72Å; L457-H466 WeakPolarHBondContact CD1-CD2 3.49Å; L457-H466 HydrophobicContact CD2-CB 4.07Å; Q462-H466 WeakPolarHBondContact O-CB 3.22Å; Q462-H466 PolarHBondContact O-N 3.47Å; L463-H466 PolarHBondContact O-N 3.44Å; H466-Q468 PolarHBondContact O-N 2.87Å; H466-R469 PolarHBondContact O-N 3.21Å; H466-R469 VanDerWaalsContact O-N 3.1Å; H466-C470 WeakPolarHBondContact NE2-CB 3.45Å; H466-C470 WeakPolarHBondContact O-CB 3.43Å; H466-C470 PolarHBondContact O-N 2.85Å
467	A	60.7	Low	51.8	Low	53 Å²	53	102.1 Å²	102.1	44%	0.438	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-30.2	178.9	0	0	0	0	0	112.9	L463 Q464	L463-A467 WeakPolarHBondContact O-CB 3.47Å; L463-A467 PolarHBondContact O-N 3.41Å; Q464-A467 PolarHBondContact O-N 3.14Å
468	Q	59.5	Low	50.7	Low	145 Å²	145	108.6 Å²	108.6	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-72.7	-37.2	173.4	-70.9	169.3	2.1	0	0	113	Q464 E465 H466	Q464-Q468 WeakPolarHBondContact O-CG 3.48Å; Q464-Q468 PolarHBondContact O-N 3.5Å; Q464-Q468 VanDerWaalsContact O-N 3.16Å; E465-Q468 PolarHBondContact O-N 2.68Å; H466-Q468 PolarHBondContact O-N 2.87Å
469	R	59.8	Low	49.3	Very low	157 Å²	157	114.1 Å²	114.1	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-91.7	-18.1	-178.4	-61.2	177.8	-169.5	120.4	8.1	114.1	E465 H466 G471	E465-R469 PolarHBondContact O-N 3.33Å; E465-R469 IonicContact OE2-CZ 3.61Å; E465-R469 VanDerWaalsContact OE2-CZ 3.31Å; E465-R469 IonicContact OE2-NH1 3.84Å; E465-R469 PolarHBondContact OE2-NH1 3.18Å; E465-R469 IonicContact OE2-NH2 3.12Å; E465-R469 PolarHBondContact OE2-NH2 3.01Å; H466-R469 PolarHBondContact O-N 3.21Å; H466-R469 VanDerWaalsContact O-N 3.1Å; R469-G471 PolarHBondContact O-N 2.84Å
470	C	50.1	Low	48.1	Very low	18 Å²	18	111.8 Å²	111.8	12%	0.122	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	94.4	-175	-170	0	0	0	0	111.5	C450 K452 H466	C450-C470 VanDerWaalsContact SG-SG 3.64Å; K452-C470 WeakPolarHBondContact CB-SG 3.49Å; K452-C470 HydrophobicContact CD-CB 4.11Å; K452-C470 WeakPolarHBondContact CD-O 3.41Å; K452-C470 PolarHBondContact NZ-O 3.44Å; H466-C470 WeakPolarHBondContact NE2-CB 3.45Å; H466-C470 WeakPolarHBondContact O-CB 3.43Å; H466-C470 PolarHBondContact O-N 2.85Å
471	G	49.9	Very low	47	Very low	73 Å²	73	118.8 Å²	118.8	75%	0.753	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.3	-19.2	178.4	0	0	0	0	0	114.1	R469	R469-G471 PolarHBondContact O-N 2.84Å
472	E	42.3	Very low	46	Very low	164 Å²	164	112.5 Å²	112.5	77%	0.766	63%	0.627	S	S	*	*			trans	-84	134.2	176.1	-62	-170.6	138.4	0	0	111.3	Q474	E472-Q474 PolarHBondContact O-N 3.27Å
473	P	38	Very low	44.7	Very low	111 Å²	111	115.8 Å²	115.8	72%	0.721	65%	0.648	S	S	*	*			trans	-75.4	122.6	174.5	30.5	-32.3	0	0	0	110.2
474	Q	40.6	Very low	43.5	Very low	183 Å²	183	117.3 Å²	117.3	86%	0.855	67%	0.669	S	S	*	*			trans	-88.7	104.7	163.5	-73.1	178.1	-26.9	0	0	108	E472 L476	E472-Q474 PolarHBondContact O-N 3.27Å; Q474-L476 PolarHBondContact O-N 3.33Å
475	D	29.2	Very low	42.3	Very low	144 Å²	144	120.2 Å²	120.2	77%	0.77	68%	0.683	S	S	*	*			trans	-65.3	101.7	-178.4	-81.6	-44.1	0	0	0	111.6	T477	D475-T477 PolarHBondContact O-N 3.43Å
476	L	41.1	Very low	40.9	Very low	167 Å²	167	126.4 Å²	126.4	87%	0.874	71%	0.712	S	S	*	*			trans	-86.1	75.8	172	-73.9	173.5	0	0	0	111	Q474 M478	Q474-L476 PolarHBondContact O-N 3.33Å; L476-M478 PolarHBondContact O-N 2.85Å
477	T	36.1	Very low	39.1	Very low	130 Å²	130	133 Å²	133	80%	0.798	74%	0.74	S	S	*	*			trans	-77.2	87	168.8	54.9	0	0	0	0	111.4	D475	D475-T477 PolarHBondContact O-N 3.43Å
478	M	37.7	Very low	37.5	Very low	153 Å²	153	139.5 Å²	139.5	75%	0.754	76%	0.763	S	S	*	*			trans	8.4	126.1	151.9	-75.6	-80.3	-165.8	0	0	119.5	L476	L476-M478 PolarHBondContact O-N 2.85Å
479	N	33.5	Very low	35.8	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	76%	0.761	S	S	*	*			trans	69.1	146.9	142	-54.3	-23	0	0	0	119.2
480	G	26	Very low	34.2	Very low	73 Å²	73	139.6 Å²	139.6	75%	0.753	78%	0.776	S	S	*	*			cis	-177	178.8	-1.5	0	0	0	0	0	113.3
481	L	35.6	Very low	33.4	Very low	189 Å²	189	147.2 Å²	147.2	99%	0.99	81%	0.81	S	S	*	*			trans	-69.4	135.2	176.2	-70.3	162.4	0	0	0	111.2
482	G	28.1	Very low	32.2	Very low	64 Å²	64	153.1 Å²	153.1	66%	0.66	82%	0.818	S	S	*	*			trans	-178.5	90.4	177.2	0	0	0	0	0	116.9
483	N	28	Very low	31.4	Very low	174 Å²	174	152.7 Å²	152.7	93%	0.93	82%	0.821	S	S	*	*			trans	73.4	167	151.7	-53.5	-17.2	0	0	0	119.1
484	A	33.1	Very low	31.7	Very low	89 Å²	89	151.3 Å²	151.3	74%	0.736	81%	0.813	S	S	*	*			trans	-126.2	-177.4	-171.4	0	0	0	0	0	110.8
485	E	32.8	Very low	30.9	Very low	187 Å²	187	149 Å²	149	87%	0.874	81%	0.806	S	S	*	*			trans	63.1	102.2	168.9	-56.8	-175.7	157	0	0	116.5
486	E	29.3	Very low	31	Very low	200 Å²	200	149.5 Å²	149.5	94%	0.935	80%	0.804	S	S	*	*				-163.1	168	105.3	-108.7	-174.6	162	0	0	112.1
487	K	29.2	Very low	30.5	Very low	167 Å²	167	149.3 Å²	149.3	73%	0.726	80%	0.798	S	S	*	*			trans	-89.4	155.7	-177.8	-59.1	179.4	175.7	-170.3	0	112.3
488	M	26.8	Very low	30.2	Very low	190 Å²	190	147.8 Å²	147.8	94%	0.936	79%	0.793	S	S	*	*				-155.7	148.6	121.1	-116.8	178.5	-68.2	0	0	111.1
489	D	23.8	Very low	29.8	Very low	116 Å²	116	148.3 Å²	148.3	62%	0.62	79%	0.793	S	S	*	*			trans	-106.9	152.9	-161.9	-35	-97.9	0	0	0	112.3
490	M	28	Very low	29.6	Very low	188 Å²	188	147.7 Å²	147.7	93%	0.926	79%	0.789	S	S	*	*			trans	-155.1	147	135.2	-157.2	141.5	-73.1	0	0	110.3
491	E	31.6	Very low	29.8	Very low	178 Å²	178	154 Å²	154	83%	0.832	79%	0.79	S	S	*	*			trans	-98.4	155.7	-169.5	-56.5	168.6	116.8	0	0	112.1
492	E	26.3	Very low	29.3	Very low	198 Å²	198	150.6 Å²	150.6	93%	0.925	77%	0.773	S	S	*	*				-165.7	148	124.1	-109.1	174.1	-167.4	0	0	112.2
493	N	24.9	Very low	29.2	Very low	154 Å²	154	156.3 Å²	156.3	82%	0.824	78%	0.784	S	S	*	*			trans	-168.8	163	-172.9	-155.1	33.3	0	0	0	105.1
494	P	43.3	Very low	28.9	Very low	83 Å²	83	157 Å²	157	54%	0.539	78%	0.779	S	S	.	*			cis	-138.1	-152	12.4	34.8	-8.9	0	0	0	113.8
495	D	25	Very low	28.7	Very low	134 Å²	134	158.8 Å²	158.8	72%	0.717	78%	0.781	S	S	*	*			trans	71	141.2	160.9	-49.5	-26.3	0	0	0	117.2
496	E	30.8	Very low	28.6	Very low	155 Å²	155	158.3 Å²	158.3	72%	0.724	78%	0.778	S	S	*	*			cis	-153	168.3	-10.4	-116.1	179.7	-175.3	0	0	105.3
497	Q	31.6	Very low	28.5	Very low	163 Å²	163	156.8 Å²	156.8	76%	0.762	77%	0.774	S	S	*	*			cis	-165.7	171.5	33.1	-133.8	159	55.1	0	0	109.1
498	S	27.9	Very low	28.6	Very low	97 Å²	97	156 Å²	156	68%	0.678	78%	0.777	S	S	*	*			trans	-73.1	165.2	172.2	43.8	0	0	0	0	112.8
499	E	31.3	Very low	28.6	Very low	164 Å²	164	152.9 Å²	152.9	77%	0.766	76%	0.763	S	S	*	*				173	163.9	80.8	-80.9	-165.7	164.4	0	0	108.4
500	I	29	Very low	28.9	Very low	138 Å²	138	154 Å²	154	71%	0.708	77%	0.77	S	S	*	*			cis	-152	165	-9.5	-116.4	167.4	0	0	0	108.1
501	R	28.9	Very low	29	Very low	206 Å²	206	153.7 Å²	153.7	78%	0.777	76%	0.763	S	S	*	*			trans	-115.1	139.3	172.1	-171.6	-166.2	153.5	163.5	-0.6	110.9
502	D	26.3	Very low	28.8	Very low	118 Å²	118	154 Å²	154	63%	0.631	76%	0.757	S	S	*	*			trans	66.1	101.5	166.9	-59.6	-24.6	0	0	0	119.6
503	M	24.7	Very low	29	Very low	183 Å²	183	151.4 Å²	151.4	90%	0.901	75%	0.749	S	S	*	*			trans	-142.3	109.6	144.6	-85.8	-173.3	61	0	0	106.2
504	F	22.9	Very low	29.2	Very low	189 Å²	189	149 Å²	149	83%	0.829	75%	0.745	S	S	*	*			cis	85.3	136.1	41.7	-140.5	-87	0	0	0	113.9
505	V	29	Very low	28.7	Very low	126 Å²	126	152.8 Å²	152.8	76%	0.764	76%	0.755	S	S	*	*			trans	84.4	127.4	-177.2	-167.1	0	0	0	0	117.2
506	E	30.1	Very low	28.9	Very low	177 Å²	177	156.1 Å²	156.1	83%	0.827	76%	0.759	S	S	*	*			trans	-89.7	161.4	178.2	-52.5	138	126.4	0	0	112.1
507	M	26.8	Very low	29	Very low	169 Å²	169	156.6 Å²	156.6	83%	0.833	76%	0.761	S	S	*	*			trans	-152.8	105.7	152.9	-162.6	166.9	-66.1	0	0	113.7
508	L	31.9	Very low	29	Very low	151 Å²	151	156.9 Å²	156.9	79%	0.791	77%	0.766	S	S	*	*			trans	63.6	109.5	161.4	-56.6	170.9	0	0	0	116.2
509	D	27.7	Very low	29.4	Very low	123 Å²	123	158.7 Å²	158.7	66%	0.658	77%	0.768	S	S	*	*				55.9	113.7	61	-106.7	-22.7	0	0	0	114.3
510	D	28.5	Very low	29.4	Very low	140 Å²	140	154.1 Å²	154.1	75%	0.749	75%	0.754	S	S	*	*			trans	-147.3	110.3	148.9	-128.8	-1.2	0	0	0	107.8
511	F	30	Very low	29.7	Very low	181 Å²	181	154.5 Å²	154.5	79%	0.794	76%	0.756	S	S	*	*			trans	31.6	111	167	-56.2	-84.9	0	0	0	119
512	R	29	Very low	30	Very low	185 Å²	185	152.7 Å²	152.7	70%	0.698	76%	0.757	S	S	*	*			cis	63.9	133.5	36.7	-163.6	-178.9	-70.4	-102.8	2.9	115.6
513	D	28.6	Very low	30.3	Very low	144 Å²	144	154.7 Å²	154.7	77%	0.77	76%	0.76	S	S	*	*			trans	73	136.6	172.8	-67.1	-28.8	0	0	0	118.6
514	S	29.8	Very low	30.8	Very low	104 Å²	104	155.1 Å²	155.1	73%	0.727	76%	0.757	S	S	*	*			cis	-151.8	129.5	-11.3	47.4	0	0	0	0	109.2
515	H	32.5	Very low	31.5	Very low	162 Å²	162	153.6 Å²	153.6	75%	0.75	75%	0.752	S	S	*	*				72.6	140.2	76.4	-137.1	-84.4	0	0	0	115.2
516	Y	30.1	Very low	32.1	Very low	204 Å²	204	154.4 Å²	154.4	80%	0.8	75%	0.751	S	S	*	*			trans	76.3	82.2	-179.8	-72.6	-88.2	0	0	0	120.1
517	Q	32.1	Very low	32.5	Very low	164 Å²	164	155.1 Å²	155.1	77%	0.766	75%	0.752	S	S	*	*				-172.6	44	112.1	-104.4	-177.8	66.9	0	0	115.3	N519	Q517-N519 PolarHBondContact O-N 3.24Å
518	I	32	Very low	33	Very low	170 Å²	170	152.6 Å²	152.6	87%	0.872	74%	0.736	S	S	*	*			trans	-76.5	71.9	169	-52.5	178.7	0	0	0	109.9
519	N	35.3	Very low	33.7	Very low	134 Å²	134	152 Å²	152	72%	0.717	73%	0.729	S	S	*	*	S	Bend	trans	-179	76.1	159.9	-108.7	-68.1	0	0	0	112.2	Q517	Q517-N519 PolarHBondContact O-N 3.24Å
520	S	32	Very low	34.7	Very low	69 Å²	69	151.5 Å²	151.5	48%	0.483	74%	0.736	S	S	.	*	S	Bend	trans	-159.3	-44.1	166.2	59.4	0	0	0	0	115
521	I	35.1	Very low	36	Very low	145 Å²	145	148.5 Å²	148.5	74%	0.744	73%	0.73	S	S	*	*	S	Bend	trans	-79.5	-45.5	-165.1	-58.6	-177	0	0	0	113.7	K523 K524	I521-K523 PolarHBondContact O-N 2.82Å; I521-K523 VanDerWaalsContact O-N 3.14Å; I521-K524 PolarHBondContact O-N 3.27Å
522	Q	34.6	Very low	37.5	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66.7	-15.8	-177.3	-78.6	-178.9	-23.1	0	0	114.7	K524	Q522-K524 PolarHBondContact O-N 2.89Å
523	K	32.8	Very low	39	Very low	161 Å²	161	136.5 Å²	136.5	70%	0.7	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-79	6.4	175.6	-78.2	-176.7	174.2	172	0	114.6	I521	I521-K523 PolarHBondContact O-N 2.82Å; I521-K523 VanDerWaalsContact O-N 3.14Å
524	K	35.7	Very low	40.8	Very low	192 Å²	192	133.2 Å²	133.2	84%	0.835	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-105.2	-5.9	173.7	-82.1	-170.8	173	-176.6	0	116.3	I521 Q522	I521-K524 PolarHBondContact O-N 3.27Å; Q522-K524 PolarHBondContact O-N 2.89Å
525	Q	37.7	Very low	43	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-17.6	173.4	-73.8	-171	-26	0	0	114.3	F527	Q525-F527 PolarHBondContact O-N 3.1Å
526	L	41	Very low	45.1	Very low	142 Å²	142	128.4 Å²	128.4	74%	0.743	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	23.5	176.6	-82.1	167.1	0	0	0	115.2
527	F	38.8	Very low	46.8	Very low	192 Å²	192	122.9 Å²	122.9	84%	0.842	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.6	24.8	-176.5	-111.8	-79.2	0	0	0	115.2	Q525	Q525-F527 PolarHBondContact O-N 3.1Å
528	K	36.9	Very low	48.5	Very low	116 Å²	116	117 Å²	117	50%	0.504	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.9	-19.1	174.1	-135.5	167.1	-175.4	-87.1	0	116	S530 E544	K528-S530 VanDerWaalsContact C-N 3.32Å; K528-S530 PolarHBondContact O-N 2.82Å; K528-E544 IonicContact NZ-OE1 2.62Å; K528-E544 PolarHBondContact NZ-OE1 3.2Å; K528-E544 IonicContact NZ-OE2 2.72Å; K528-E544 PolarHBondContact NZ-OE2 3.43Å
529	H	47.1	Very low	50.5	Low	138 Å²	138	110.7 Å²	110.7	64%	0.639	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-0	-174.6	-70.1	-69.4	0	0	0	116.4
530	S	48.5	Very low	52.1	Low	114 Å²	114	105 Å²	105	80%	0.797	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-12.5	174.3	50	0	0	0	0	114.2	K528	K528-S530 VanDerWaalsContact C-N 3.32Å; K528-S530 PolarHBondContact O-N 2.82Å
531	A	55.6	Low	54	Low	77 Å²	77	106.9 Å²	106.9	64%	0.636	54%	0.541	S	S	*	.	S	Bend	trans	-116	20.2	-169.2	0	0	0	0	0	114.6	P533	A531-P533 VanDerWaalsContact O-CD 3.24Å; A531-P533 WeakPolarHBondContact O-CD 3.48Å
532	C	61.3	Low	55.6	Low	13 Å²	13	107.4 Å²	107.4	9%	0.088	53%	0.533	C	S	.	.			trans	-98.1	97.9	173.9	-60.5	0	0	0	0	109.9	R542 F543 E544	C532-R542 HydrophobicContact CB-CB 3.87Å; C532-F543 WeakPolarHBondContact CB-O 3.09Å; C532-E544 VanDerWaalsContact SG-CG 3.59Å
533	P	61.8	Low	57.7	Low	100 Å²	100	101.1 Å²	101.1	65%	0.649	50%	0.503	S	S	*	.			trans	-78.8	-21.8	-175.3	31.9	-34.9	0	0	0	113	A531	A531-P533 VanDerWaalsContact O-CD 3.24Å; A531-P533 WeakPolarHBondContact O-CD 3.48Å
534	F	65.4	Low	59	Low	76 Å²	76	98 Å²	98	33%	0.333	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.5	-176.8	-47.8	-81	0	0	0	111.6	R542 F543 T545 E546 V549	F534-R542 WeakPolarHBondContact O-CA 3.43Å; F534-F543 PolarHBondContact O-N 3.22Å; F534-T545 VanDerWaalsContact CD2-C 3.45Å; F534-E546 HydrophobicContact CD1-CB 4.12Å; F534-E546 HydrophobicContact CD1-CG 4.41Å; F534-E546 HydrophobicContact CD2-CB 4.44Å; F534-E546 HydrophobicContact CE1-CB 3.87Å; F534-E546 HydrophobicContact CE1-CG 4.29Å; F534-E546 HydrophobicContact CE2-CB 4.22Å; F534-E546 HydrophobicContact CG-CB 4.4Å; F534-E546 HydrophobicContact CZ-CB 3.93Å; F534-V549 HydrophobicContact CB-CG2 3.47Å; F534-V549 VanDerWaalsContact CB-CG2 3.47Å; F534-V549 HydrophobicContact CG-CG2 4.48Å
535	R	76.1	Confident	60.2	Low	164 Å²	164	92 Å²	92	62%	0.619	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	134.3	-177.4	-168.9	-169.9	-176.3	-146.5	-3.6	110.2	P537 G540 Q541 R542	R535-P537 WeakPolarHBondContact O-CD 3.43Å; R535-G540 VanDerWaalsContact CG-O 3.29Å; R535-G540 WeakPolarHBondContact CG-O 3.33Å; R535-G540 VanDerWaalsContact NE-CA 3.32Å; R535-G540 PolarHBondContact NE-O 3.42Å; R535-Q541 CarbonylContact C-O 3.46Å; R535-Q541 VanDerWaalsContact CA-O 3.28Å; R535-Q541 WeakPolarHBondContact CA-O 3.3Å; R535-Q541 WeakPolarHBondContact CG-O 3.47Å; R535-R542 HydrophobicContact CB-CG 4.49Å; R535-R542 HydrophobicContact CG-CG 4.26Å
536	C	76.7	Confident	61.1	Low	0 Å²	0	90.2 Å²	90.2	0%	0	46%	0.462	C	S	.	.			trans	-63.5	125.2	169.1	176.9	0	0	0	0	109.8	N538 G540 Q541 F543 V549 H552	C536-N538 VanDerWaalsContact C-N 3.28Å; C536-N538 PolarHBondContact O-N 3.17Å; C536-G540 WeakPolarHBondContact O-CA 3.41Å; C536-G540 PolarHBondContact O-N 2.92Å; C536-Q541 PolarHBondContact N-O 3.08Å; C536-F543 HydrophobicContact CB-CE2 4.04Å; C536-V549 HydrophobicContact CB-CG1 4.42Å; C536-H552 PolarHBondContact SG-CD2 3.42Å; C536-H552 PolarHBondContact SG-NE2 3.3Å; C536-H552 VanDerWaalsContact SG-NE2 3.43Å
537	P	66.4	Low	62.3	Low	88 Å²	88	89.6 Å²	89.6	57%	0.571	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.1	178.4	-24.2	35.4	0	0	0	113.9	R535 M553	R535-P537 WeakPolarHBondContact O-CD 3.43Å; P537-M553 HydrophobicContact CG-CE 4.41Å; P537-M553 HydrophobicContact CG-SD 4.44Å
538	N	68	Low	63.8	Low	41 Å²	41	84 Å²	84	22%	0.219	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-53.5	-168.5	-56.8	-0.7	0	0	0	112.3	C536 D558	C536-N538 VanDerWaalsContact C-N 3.28Å; C536-N538 PolarHBondContact O-N 3.17Å; N538-D558 HydrophobicContact CB-CB 4.21Å
539	C	74.4	Confident	65.5	Low	37 Å²	37	79.1 Å²	79.1	25%	0.25	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-10.2	-178.9	73	0	0	0	0	113.9	Q541 H552 D558	C539-Q541 VanDerWaalsContact C-N 3.33Å; C539-Q541 PolarHBondContact O-N 2.85Å; C539-Q541 VanDerWaalsContact SG-CG 3.52Å; C539-Q541 PolarHBondContact SG-N 3.31Å; C539-Q541 VanDerWaalsContact SG-N 3.4Å; C539-H552 PolarHBondContact SG-NE2 2.92Å; C539-D558 WeakPolarHBondContact CA-OD2 3.38Å; C539-D558 HydrophobicContact CB-CB 4.37Å; C539-D558 WeakPolarHBondContact CB-OD2 3.46Å
540	G	67.6	Low	66.6	Low	16 Å²	16	77 Å²	77	17%	0.165	42%	0.415	C	S	.	.			trans	76	3.2	-179.6	0	0	0	0	0	117.3	R535 C536	R535-G540 VanDerWaalsContact CG-O 3.29Å; R535-G540 WeakPolarHBondContact CG-O 3.33Å; R535-G540 VanDerWaalsContact NE-CA 3.32Å; R535-G540 PolarHBondContact NE-O 3.42Å; C536-G540 WeakPolarHBondContact O-CA 3.41Å; C536-G540 PolarHBondContact O-N 2.92Å
541	Q	73.3	Confident	67.7	Low	107 Å²	107	77.7 Å²	77.7	50%	0.5	41%	0.406	S	S	.	.			trans	-60.6	151.2	175.2	-71.3	178.3	17.1	0	0	112.1	R535 C536 C539 F543 H552	R535-Q541 CarbonylContact C-O 3.46Å; R535-Q541 VanDerWaalsContact CA-O 3.28Å; R535-Q541 WeakPolarHBondContact CA-O 3.3Å; R535-Q541 WeakPolarHBondContact CG-O 3.47Å; C536-Q541 PolarHBondContact N-O 3.08Å; C539-Q541 VanDerWaalsContact C-N 3.33Å; C539-Q541 PolarHBondContact O-N 2.85Å; C539-Q541 VanDerWaalsContact SG-CG 3.52Å; C539-Q541 PolarHBondContact SG-N 3.31Å; C539-Q541 VanDerWaalsContact SG-N 3.4Å; Q541-F543 HydrophobicContact CB-CE2 3.58Å; Q541-F543 HydrophobicContact CB-CZ 3.76Å; Q541-F543 WeakPolarHBondContact O-CE2 3.41Å; Q541-H552 PolarHBondContact OE1-CE1 3.5Å; Q541-H552 VanDerWaalsContact OE1-CE1 3.26Å
542	R	69	Low	68.8	Low	157 Å²	157	75.4 Å²	75.4	59%	0.592	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.4	-177.7	-69.9	-174.6	177	-175.1	-3.1	112	C532 F534 R535	C532-R542 HydrophobicContact CB-CB 3.87Å; F534-R542 WeakPolarHBondContact O-CA 3.43Å; R535-R542 HydrophobicContact CB-CG 4.49Å; R535-R542 HydrophobicContact CG-CG 4.26Å
543	F	77	Confident	69.1	Low	35 Å²	35	77.9 Å²	77.9	15%	0.154	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.8	-173.3	-58	-94.8	0	0	0	111.9	C532 F534 C536 Q541 L548 V549 H552	C532-F543 WeakPolarHBondContact CB-O 3.09Å; F534-F543 PolarHBondContact O-N 3.22Å; C536-F543 HydrophobicContact CB-CE2 4.04Å; Q541-F543 HydrophobicContact CB-CE2 3.58Å; Q541-F543 HydrophobicContact CB-CZ 3.76Å; Q541-F543 WeakPolarHBondContact O-CE2 3.41Å; F543-L548 HydrophobicContact CB-CB 4.1Å; F543-L548 HydrophobicContact CD1-CB 3.97Å; F543-L548 HydrophobicContact CG-CB 4.35Å; F543-V549 HydrophobicContact CB-CG2 3.71Å; F543-V549 HydrophobicContact CD2-CB 4.46Å; F543-V549 HydrophobicContact CD2-CG2 3.71Å; F543-V549 HydrophobicContact CG-CG2 3.93Å; F543-H552 HydrophobicContact CE1-CB 3.93Å; F543-H552 HydrophobicContact CE2-CB 4.32Å; F543-H552 AromaticContact CE2-CD2 3.93Å; F543-H552 AromaticContact CE2-CG 3.97Å; F543-H552 HydrophobicContact CZ-CB 3.68Å; F543-H552 AromaticContact CZ-CD2 3.72Å; F543-H552 AromaticContact CZ-CG 3.34Å; F543-H552 AromaticContact CZ-ND1 3.57Å
544	E	60.6	Low	69.4	Low	96 Å²	96	77.5 Å²	77.5	45%	0.449	39%	0.392	S	S	.	.	S	Bend	trans	-76.7	-22.6	-176.3	-64.9	-173.1	178.9	0	0	113.1	K528 C532	K528-E544 IonicContact NZ-OE1 2.62Å; K528-E544 PolarHBondContact NZ-OE1 3.2Å; K528-E544 IonicContact NZ-OE2 2.72Å; K528-E544 PolarHBondContact NZ-OE2 3.43Å; C532-E544 VanDerWaalsContact SG-CG 3.59Å
545	T	60.8	Low	69.5	Low	65 Å²	65	78 Å²	78	40%	0.399	41%	0.405	S	S	.	.	S	Bend	trans	-139.6	155.6	177.9	64.8	0	0	0	0	111.8	F534 N547 L548	F534-T545 VanDerWaalsContact CD2-C 3.45Å; T545-N547 PolarHBondContact O-N 3.45Å; T545-L548 PolarHBondContact O-N 3.27Å; T545-L548 WeakPolarHBondContact OG1-CD1 3.35Å; T545-L548 WeakPolarHBondContact OG1-CG 3.09Å
546	E	57.5	Low	69.4	Low	120 Å²	120	70.5 Å²	70.5	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-61.6	-41.5	-179.5	-170.9	170.5	-176.1	0	0	112.5	F534 L548 V549 V550	F534-E546 HydrophobicContact CD1-CB 4.12Å; F534-E546 HydrophobicContact CD1-CG 4.41Å; F534-E546 HydrophobicContact CD2-CB 4.44Å; F534-E546 HydrophobicContact CE1-CB 3.87Å; F534-E546 HydrophobicContact CE1-CG 4.29Å; F534-E546 HydrophobicContact CE2-CB 4.22Å; F534-E546 HydrophobicContact CG-CB 4.4Å; F534-E546 HydrophobicContact CZ-CB 3.93Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.5Å; E546-V549 WeakPolarHBondContact O-CA 3.25Å; E546-V549 WeakPolarHBondContact O-CB 3.5Å; E546-V549 PolarHBondContact O-N 2.8Å; E546-V550 PolarHBondContact O-N 3.16Å
547	N	66.5	Low	68.7	Low	130 Å²	130	77.5 Å²	77.5	70%	0.695	42%	0.415	S	S	*	.	H	α-helix	trans	-55.1	-40.9	177.7	-65.3	-2.5	0	0	0	112.5	T545 V549 V550 E551	T545-N547 PolarHBondContact O-N 3.45Å; N547-V549 VanDerWaalsContact C-N 3.28Å; N547-V549 PolarHBondContact O-N 3.41Å; N547-V550 PolarHBondContact O-N 2.94Å; N547-E551 WeakPolarHBondContact O-CB 3.44Å; N547-E551 PolarHBondContact O-N 3.12Å
548	L	69.5	Low	68.3	Low	75 Å²	75	76.7 Å²	76.7	39%	0.393	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-27.9	177.9	-67.2	170.7	0	0	0	112.2	F543 T545 E546 H552	F543-L548 HydrophobicContact CB-CB 4.1Å; F543-L548 HydrophobicContact CD1-CB 3.97Å; F543-L548 HydrophobicContact CG-CB 4.35Å; T545-L548 PolarHBondContact O-N 3.27Å; T545-L548 WeakPolarHBondContact OG1-CD1 3.35Å; T545-L548 WeakPolarHBondContact OG1-CG 3.09Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.5Å; L548-H552 WeakPolarHBondContact O-CB 3.47Å; L548-H552 PolarHBondContact O-N 2.98Å; L548-H552 VanDerWaalsContact O-N 3.07Å
549	V	72.1	Confident	67.8	Low	12 Å²	12	77.5 Å²	77.5	7%	0.073	41%	0.408	C	S	.	.	H	α-helix	trans	-71.4	-44	170.8	-169.7	0	0	0	0	110.6	F534 C536 F543 E546 N547 H552 M553	F534-V549 HydrophobicContact CB-CG2 3.47Å; F534-V549 VanDerWaalsContact CB-CG2 3.47Å; F534-V549 HydrophobicContact CG-CG2 4.48Å; C536-V549 HydrophobicContact CB-CG1 4.42Å; F543-V549 HydrophobicContact CB-CG2 3.71Å; F543-V549 HydrophobicContact CD2-CB 4.46Å; F543-V549 HydrophobicContact CD2-CG2 3.71Å; F543-V549 HydrophobicContact CG-CG2 3.93Å; E546-V549 WeakPolarHBondContact O-CA 3.25Å; E546-V549 WeakPolarHBondContact O-CB 3.5Å; E546-V549 PolarHBondContact O-N 2.8Å; N547-V549 VanDerWaalsContact C-N 3.28Å; N547-V549 PolarHBondContact O-N 3.41Å; V549-H552 PolarHBondContact O-N 3.12Å; V549-M553 HydrophobicContact CG1-CG 4.07Å; V549-M553 HydrophobicContact CG1-SD 3.81Å; V549-M553 VanDerWaalsContact O-CB 3.24Å; V549-M553 WeakPolarHBondContact O-CB 3.35Å; V549-M553 WeakPolarHBondContact O-CG 3.4Å; V549-M553 PolarHBondContact O-N 3.16Å
550	V	71.4	Confident	66.7	Low	95 Å²	95	79.8 Å²	79.8	58%	0.576	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-44.1	179.5	175.6	0	0	0	0	111.1	E546 N547 M553 S554	E546-V550 PolarHBondContact O-N 3.16Å; N547-V550 PolarHBondContact O-N 2.94Å; V550-M553 PolarHBondContact O-N 3.45Å; V550-S554 PolarHBondContact O-N 2.79Å
551	E	69.8	Low	65.8	Low	128 Å²	128	85.2 Å²	85.2	60%	0.598	44%	0.44	S	S	*	.	H	α-helix	trans	-59	-55.1	173.5	-174.5	175.5	-169	0	0	110.9	N547 M553 S554	N547-E551 WeakPolarHBondContact O-CB 3.44Å; N547-E551 PolarHBondContact O-N 3.12Å; E551-M553 VanDerWaalsContact C-N 3.33Å; E551-M553 PolarHBondContact O-N 3.12Å; E551-S554 WeakPolarHBondContact O-CB 3.26Å; E551-S554 PolarHBondContact O-N 3.42Å; E551-S554 VanDerWaalsContact O-N 3.11Å; E551-S554 PolarHBondContact O-OG 3.28Å
552	H	79.1	Confident	64.7	Low	29 Å²	29	85.5 Å²	85.5	13%	0.134	44%	0.44	C	S	.	.	H	α-helix	trans	-59.4	-37.8	177.3	170.5	86.2	0	0	0	113.5	C536 C539 Q541 F543 L548 V549 S554 S555 C556	C536-H552 PolarHBondContact SG-CD2 3.42Å; C536-H552 PolarHBondContact SG-NE2 3.3Å; C536-H552 VanDerWaalsContact SG-NE2 3.43Å; C539-H552 PolarHBondContact SG-NE2 2.92Å; Q541-H552 PolarHBondContact OE1-CE1 3.5Å; Q541-H552 VanDerWaalsContact OE1-CE1 3.26Å; F543-H552 HydrophobicContact CE1-CB 3.93Å; F543-H552 HydrophobicContact CE2-CB 4.32Å; F543-H552 AromaticContact CE2-CD2 3.93Å; F543-H552 AromaticContact CE2-CG 3.97Å; F543-H552 HydrophobicContact CZ-CB 3.68Å; F543-H552 AromaticContact CZ-CD2 3.72Å; F543-H552 AromaticContact CZ-CG 3.34Å; F543-H552 AromaticContact CZ-ND1 3.57Å; L548-H552 WeakPolarHBondContact O-CB 3.47Å; L548-H552 PolarHBondContact O-N 2.98Å; L548-H552 VanDerWaalsContact O-N 3.07Å; V549-H552 PolarHBondContact O-N 3.12Å; H552-S554 PolarHBondContact O-N 3.41Å; H552-S555 CarbonylContact O-C 3.57Å; H552-S555 PolarHBondContact O-N 2.83Å; H552-S555 PolarHBondContact O-OG 3.39Å; H552-C556 WeakPolarHBondContact O-CB 3.44Å; H552-C556 PolarHBondContact O-N 2.88Å
553	M	68.6	Low	63.7	Low	64 Å²	64	82.3 Å²	82.3	32%	0.315	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-21.5	179.3	-83.6	177.3	68.4	0	0	112.6	P537 V549 V550 E551 Q559	P537-M553 HydrophobicContact CG-CE 4.41Å; P537-M553 HydrophobicContact CG-SD 4.44Å; V549-M553 HydrophobicContact CG1-CG 4.07Å; V549-M553 HydrophobicContact CG1-SD 3.81Å; V549-M553 VanDerWaalsContact O-CB 3.24Å; V549-M553 WeakPolarHBondContact O-CB 3.35Å; V549-M553 WeakPolarHBondContact O-CG 3.4Å; V549-M553 PolarHBondContact O-N 3.16Å; V550-M553 PolarHBondContact O-N 3.45Å; E551-M553 VanDerWaalsContact C-N 3.33Å; E551-M553 PolarHBondContact O-N 3.12Å; M553-Q559 PolarHBondContact O-NE2 2.85Å
554	S	67.4	Low	62.2	Low	92 Å²	92	84 Å²	84	64%	0.643	45%	0.446	S	S	*	.	H	α-helix	trans	-77.6	-27.6	173	78	0	0	0	0	113.5	V550 E551 H552	V550-S554 PolarHBondContact O-N 2.79Å; E551-S554 WeakPolarHBondContact O-CB 3.26Å; E551-S554 PolarHBondContact O-N 3.42Å; E551-S554 VanDerWaalsContact O-N 3.11Å; E551-S554 PolarHBondContact O-OG 3.28Å; H552-S554 PolarHBondContact O-N 3.41Å
555	S	67.4	Low	61.5	Low	86 Å²	86	82.8 Å²	82.8	60%	0.601	45%	0.453	S	S	*	.	S	Bend	trans	-114.4	16.2	-175.9	75.1	0	0	0	0	113.7	H552	H552-S555 CarbonylContact O-C 3.57Å; H552-S555 PolarHBondContact O-N 2.83Å; H552-S555 PolarHBondContact O-OG 3.39Å
556	C	74.6	Confident	61	Low	7 Å²	7	84.5 Å²	84.5	5%	0.047	46%	0.459	C	S	.	.			trans	-82.3	116.7	-174.3	-179	0	0	0	0	110.9	H552 D558 Q559	H552-C556 WeakPolarHBondContact O-CB 3.44Å; H552-C556 PolarHBondContact O-N 2.88Å; C556-D558 VanDerWaalsContact C-N 3.27Å; C556-D558 PolarHBondContact O-N 3.14Å; C556-Q559 WeakPolarHBondContact O-CB 3.2Å; C556-Q559 PolarHBondContact O-N 3Å
557	L	62.6	Low	60.6	Low	148 Å²	148	85.6 Å²	85.6	78%	0.775	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34	-177.3	-59.3	176.2	0	0	0	113.2	Q559 D560	L557-Q559 PolarHBondContact O-N 3.17Å; L557-Q559 VanDerWaalsContact O-N 3.16Å; L557-D560 PolarHBondContact O-N 3.38Å
558	D	57.7	Low	59.8	Low	70 Å²	70	88.1 Å²	88.1	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-68.2	-10.6	175.9	-57.6	-61.9	0	0	0	113.4	N538 C539 C556 D560 M561 F562	N538-D558 HydrophobicContact CB-CB 4.21Å; C539-D558 WeakPolarHBondContact CA-OD2 3.38Å; C539-D558 HydrophobicContact CB-CB 4.37Å; C539-D558 WeakPolarHBondContact CB-OD2 3.46Å; C556-D558 VanDerWaalsContact C-N 3.27Å; C556-D558 PolarHBondContact O-N 3.14Å; D558-D560 PolarHBondContact O-N 2.9Å; D558-M561 PolarHBondContact O-N 3.49Å; D558-F562 PolarHBondContact O-N 3.38Å
559	Q	57	Low	58.8	Low	58 Å²	58	93 Å²	93	27%	0.271	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-35.2	172.4	-164.2	-160.2	89.7	0	0	111.2	M553 C556 L557 K563	M553-Q559 PolarHBondContact O-NE2 2.85Å; C556-Q559 WeakPolarHBondContact O-CB 3.2Å; C556-Q559 PolarHBondContact O-N 3Å; L557-Q559 PolarHBondContact O-N 3.17Å; L557-Q559 VanDerWaalsContact O-N 3.16Å; Q559-K563 WeakPolarHBondContact O-CG 3.49Å; Q559-K563 PolarHBondContact O-N 3.12Å
560	D	51.2	Low	57.5	Low	85 Å²	85	97.9 Å²	97.9	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-76.3	-36.1	-179	-68.4	-40.1	0	0	0	112.8	L557 D558 F562 K563 S564	L557-D560 PolarHBondContact O-N 3.38Å; D558-D560 PolarHBondContact O-N 2.9Å; D560-F562 VanDerWaalsContact C-N 3.3Å; D560-F562 PolarHBondContact O-N 3.48Å; D560-K563 PolarHBondContact O-N 3.09Å; D560-K563 WeakPolarHBondContact OD1-CD 3.3Å; D560-K563 WeakPolarHBondContact OD1-CE 3.46Å; D560-K563 IonicContact OD1-NZ 2.65Å; D560-K563 PolarHBondContact OD1-NZ 3.41Å; D560-S564 PolarHBondContact O-N 3.09Å; D560-S564 VanDerWaalsContact O-N 3.11Å; D560-S564 PolarHBondContact O-OG 3.13Å
561	M	49.3	Very low	56.3	Low	131 Å²	131	100 Å²	100	65%	0.645	52%	0.523	S	S	*	.	H	α-helix	trans	-61.5	-39.9	172.2	-67.5	-92.9	66.6	0	0	111.6	D558 A565	D558-M561 PolarHBondContact O-N 3.49Å; M561-A565 PolarHBondContact O-N 3.06Å
562	F	48.8	Very low	55.4	Low	113 Å²	113	102.5 Å²	102.5	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-71.5	-31.8	174.2	-91.3	-83	0	0	0	113.7	D558 D560 I566	D558-F562 PolarHBondContact O-N 3.38Å; D560-F562 VanDerWaalsContact C-N 3.3Å; D560-F562 PolarHBondContact O-N 3.48Å; F562-I566 WeakPolarHBondContact O-CD1 3.45Å; F562-I566 WeakPolarHBondContact O-CG1 3.29Å; F562-I566 PolarHBondContact O-N 3.34Å
563	K	47.9	Very low	53.7	Low	90 Å²	90	104.2 Å²	104.2	39%	0.391	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-52.2	172.2	-74.8	169	-159.9	161.3	0	111	Q559 D560 A565 I566 M567	Q559-K563 WeakPolarHBondContact O-CG 3.49Å; Q559-K563 PolarHBondContact O-N 3.12Å; D560-K563 PolarHBondContact O-N 3.09Å; D560-K563 WeakPolarHBondContact OD1-CD 3.3Å; D560-K563 WeakPolarHBondContact OD1-CE 3.46Å; D560-K563 IonicContact OD1-NZ 2.65Å; D560-K563 PolarHBondContact OD1-NZ 3.41Å; K563-A565 VanDerWaalsContact C-N 3.34Å; K563-A565 PolarHBondContact O-N 3.01Å; K563-I566 PolarHBondContact O-N 3.02Å; K563-I566 VanDerWaalsContact O-N 3.07Å; K563-M567 WeakPolarHBondContact O-CG 3.49Å; K563-M567 PolarHBondContact O-N 2.93Å; K563-M567 VanDerWaalsContact O-N 3.1Å
564	S	46.9	Very low	53.3	Low	69 Å²	69	108.8 Å²	108.8	48%	0.483	56%	0.558	S	S	.	*	H	α-helix	trans	-57.3	-45.7	-177.5	-62.1	0	0	0	0	112.2	D560 I566 M567	D560-S564 PolarHBondContact O-N 3.09Å; D560-S564 VanDerWaalsContact O-N 3.11Å; D560-S564 PolarHBondContact O-OG 3.13Å; S564-I566 PolarHBondContact O-N 3.35Å; S564-M567 PolarHBondContact O-N 3.25Å; S564-M567 VanDerWaalsContact O-N 3.16Å
565	A	46.4	Very low	52.8	Low	71 Å²	71	113.9 Å²	113.9	59%	0.587	56%	0.563	S	S	*	*	H	α-helix	trans	-63.2	-25.1	178.5	0	0	0	0	0	114.2	M561 K563	M561-A565 PolarHBondContact O-N 3.06Å; K563-A565 VanDerWaalsContact C-N 3.34Å; K563-A565 PolarHBondContact O-N 3.01Å
566	I	49.4	Very low	52.4	Low	102 Å²	102	114.7 Å²	114.7	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-89.3	-20.8	178.7	-67.6	170.5	0	0	0	111.7	F562 K563 S564 N570	F562-I566 WeakPolarHBondContact O-CD1 3.45Å; F562-I566 WeakPolarHBondContact O-CG1 3.29Å; F562-I566 PolarHBondContact O-N 3.34Å; K563-I566 PolarHBondContact O-N 3.02Å; K563-I566 VanDerWaalsContact O-N 3.07Å; S564-I566 PolarHBondContact O-N 3.35Å; I566-N570 PolarHBondContact O-ND2 2.9Å
567	M	50	Low	52.2	Low	143 Å²	143	122.1 Å²	122.1	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-78.2	-31.9	-178.7	-75.2	-179.5	65.7	0	0	114	K563 S564	K563-M567 WeakPolarHBondContact O-CG 3.49Å; K563-M567 PolarHBondContact O-N 2.93Å; K563-M567 VanDerWaalsContact O-N 3.1Å; S564-M567 PolarHBondContact O-N 3.25Å; S564-M567 VanDerWaalsContact O-N 3.16Å
568	E	49.3	Very low	53	Low	182 Å²	182	116.5 Å²	116.5	85%	0.85	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-29.6	-175.7	-66.2	-169.2	156	0	0	114.3
569	E	48.4	Very low	54.1	Low	177 Å²	177	118.5 Å²	118.5	83%	0.827	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-16.3	178	-159.5	174.8	-154.2	0	0	113.2	E571	E569-E571 PolarHBondContact O-N 3.11Å
570	N	44.2	Very low	55.3	Low	115 Å²	115	115.8 Å²	115.8	62%	0.615	55%	0.547	S	S	*	.			trans	-94.8	47.7	-178.2	-77.4	-78.9	0	0	0	113.4	I566 R572	I566-N570 PolarHBondContact O-ND2 2.9Å; N570-R572 PolarHBondContact O-N 3.46Å
571	E	46.4	Very low	56.5	Low	140 Å²	140	118.4 Å²	118.4	65%	0.654	56%	0.561	S	S	*	*			trans	-68.2	110.7	179.3	-139.8	-149.3	-151.8	0	0	111.6	E569	E569-E571 PolarHBondContact O-N 3.11Å
572	R	51.2	Low	57.6	Low	180 Å²	180	117.6 Å²	117.6	68%	0.679	56%	0.559	S	S	*	*	S	Bend	trans	71.8	76.1	165.4	-60.8	174.4	-78.4	155.5	-7.2	118.5	N570	N570-R572 PolarHBondContact O-N 3.46Å
573	D	44.1	Very low	58.8	Low	66 Å²	66	114.8 Å²	114.8	35%	0.353	55%	0.552	S	S	.	*				-132.2	62.4	129.6	-166.2	8	0	0	0	111.3	R575 R576 Y588	D573-R575 PolarHBondContact O-N 2.98Å; D573-R576 PolarHBondContact O-N 3.49Å; D573-R576 IonicContact OD2-CZ 2.93Å; D573-R576 IonicContact OD2-NE 3.82Å; D573-R576 PolarHBondContact OD2-NE 2.91Å; D573-R576 IonicContact OD2-NH2 2.68Å; D573-R576 PolarHBondContact OD2-NH2 3.03Å; D573-Y588 WeakPolarHBondContact OD2-CE1 3.45Å; D573-Y588 PolarHBondContact OD2-OH 3Å
574	H	59.2	Low	60.1	Low	159 Å²	159	113.2 Å²	113.2	74%	0.736	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.1	-10.8	-175.4	-71.4	109	0	0	0	116	R576	H574-R576 VanDerWaalsContact C-N 3.32Å
575	R	57.3	Low	61.5	Low	200 Å²	200	116 Å²	116	76%	0.755	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-18.5	172.6	-61	-162.7	-135.7	-121.1	7.4	113	D573 K577 Y588	D573-R575 PolarHBondContact O-N 2.98Å; R575-K577 PolarHBondContact O-N 3.28Å; R575-Y588 HydrophobicContact CB-CD1 3.59Å; R575-Y588 HydrophobicContact CB-CE1 3.75Å
576	R	57.9	Low	63.3	Low	102 Å²	102	113.2 Å²	113.2	39%	0.385	54%	0.543	S	S	.	.			trans	-80.9	78.9	-179.6	-63.7	-177.2	-169.7	-135	6.8	111.3	D573 H574 H578 F579 G586 F587 Y588	D573-R576 PolarHBondContact O-N 3.49Å; D573-R576 IonicContact OD2-CZ 2.93Å; D573-R576 IonicContact OD2-NE 3.82Å; D573-R576 PolarHBondContact OD2-NE 2.91Å; D573-R576 IonicContact OD2-NH2 2.68Å; D573-R576 PolarHBondContact OD2-NH2 3.03Å; H574-R576 VanDerWaalsContact C-N 3.32Å; R576-H578 VanDerWaalsContact C-N 3.28Å; R576-H578 PolarHBondContact O-N 3.11Å; R576-F579 HydrophobicContact CB-CZ 4.38Å; R576-F579 WeakPolarHBondContact O-CE2 3.35Å; R576-F579 VanDerWaalsContact O-CZ 3.24Å; R576-F579 WeakPolarHBondContact O-CZ 3.23Å; R576-G586 PolarHBondContact NH1-O 2.87Å; R576-G586 VanDerWaalsContact NH1-O 3.17Å; R576-F587 CarbonylContact C-O 3.51Å; R576-F587 WeakPolarHBondContact CA-O 3.3Å; R576-Y588 HydrophobicContact CB-CD1 4.48Å; R576-Y588 HydrophobicContact CG-CD1 3.64Å; R576-Y588 HydrophobicContact CG-CE1 3.34Å; R576-Y588 HydrophobicContact CG-CE2 4.48Å; R576-Y588 HydrophobicContact CG-CG 4.33Å; R576-Y588 PolarHBondContact NE-OH 3.37Å; R576-Y588 PolarHBondContact NH2-OH 3.37Å
577	K	71.8	Confident	65	Low	164 Å²	164	110.5 Å²	110.5	71%	0.713	53%	0.528	S	S	*	.			trans	-77.8	-3	-176.4	-61.6	-170	178.5	-172.1	0	114.9	R575 F587	R575-K577 PolarHBondContact O-N 3.28Å; K577-F587 PolarHBondContact N-O 2.88Å
578	H	79	Confident	66.5	Low	30 Å²	30	109 Å²	109	14%	0.139	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	110.9	-169.3	-56	-51	0	0	0	112.9	R576 F587 R590 L593	R576-H578 VanDerWaalsContact C-N 3.28Å; R576-H578 PolarHBondContact O-N 3.11Å; H578-F587 PolarHBondContact N-O 2.77Å; H578-F587 VanDerWaalsContact N-O 3.15Å; H578-F587 WeakPolarHBondContact O-CB 3.47Å; H578-F587 PolarHBondContact O-N 3.4Å; H578-R590 PolarHBondContact CD2-N 3.12Å; H578-R590 VanDerWaalsContact CD2-N 3.28Å; H578-R590 VanDerWaalsContact CE1-CG 3.43Å; H578-R590 WeakPolarHBondContact CE1-CG 3.38Å; H578-L593 HydrophobicContact CB-CB 4.21Å; H578-L593 HydrophobicContact CB-CD2 3.82Å
579	F	80.6	Confident	68.1	Low	111 Å²	111	105.3 Å²	105.3	49%	0.487	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.2	-175.7	-63.1	-92.7	0	0	0	112.5	R576 K585 L593	R576-F579 HydrophobicContact CB-CZ 4.38Å; R576-F579 WeakPolarHBondContact O-CE2 3.35Å; R576-F579 VanDerWaalsContact O-CZ 3.24Å; R576-F579 WeakPolarHBondContact O-CZ 3.23Å; F579-K585 WeakPolarHBondContact CA-O 3.34Å; F579-L593 WeakPolarHBondContact O-CD1 3.38Å; F579-L593 VanDerWaalsContact O-CD2 3.26Å; F579-L593 WeakPolarHBondContact O-CD2 3.42Å
580	C	82.4	Confident	69.3	Low	2 Å²	2	105.8 Å²	105.8	1%	0.014	49%	0.492	C	S	.	.			trans	-88.5	115.9	173.8	-174.2	0	0	0	0	111.4	L582 C583 G584 K585 F587 L593 H596	C580-L582 PolarHBondContact O-N 3Å; C580-L582 VanDerWaalsContact O-N 3.09Å; C580-C583 PolarHBondContact O-N 3.04Å; C580-G584 WeakPolarHBondContact O-CA 3.26Å; C580-G584 PolarHBondContact O-N 2.9Å; C580-K585 PolarHBondContact N-O 3.32Å; C580-F587 HydrophobicContact CB-CE2 4.34Å; C580-L593 HydrophobicContact CB-CD1 3.76Å; C580-H596 VanDerWaalsContact SG-CD2 3.55Å
581	N	77.1	Confident	70.9	Confident	140 Å²	140	103.7 Å²	103.7	75%	0.749	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.9	-177.4	-61.4	1.1	0	0	0	113.1	Y597	N581-Y597 PolarHBondContact N-OH 2.88Å; N581-Y597 VanDerWaalsContact N-OH 3.08Å
582	L	71.6	Confident	72.4	Confident	113 Å²	113	101.2 Å²	101.2	59%	0.592	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.8	-179.9	-59.8	174.8	0	0	0	113.9	C580 Y597 H600	C580-L582 PolarHBondContact O-N 3Å; C580-L582 VanDerWaalsContact O-N 3.09Å; L582-Y597 HydrophobicContact CD1-CD1 3.96Å; L582-Y597 HydrophobicContact CD1-CE1 3.99Å; L582-Y597 HydrophobicContact CG-CE1 4.12Å; L582-H600 HydrophobicContact CD1-CB 3.6Å
583	C	73.8	Confident	73.9	Confident	54 Å²	54	93.7 Å²	93.7	37%	0.365	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	10.2	-175.1	72.9	0	0	0	0	115.9	C580 K585 H596	C580-C583 PolarHBondContact O-N 3.04Å; C583-K585 PolarHBondContact O-N 3.25Å; C583-H596 PolarHBondContact SG-NE2 2.86Å
584	G	75.1	Confident	75.5	Confident	57 Å²	57	100 Å²	100	59%	0.588	47%	0.466	S	S	*	.			trans	69.8	-6.9	177.8	0	0	0	0	0	116.2	C580 G586	C580-G584 WeakPolarHBondContact O-CA 3.26Å; C580-G584 PolarHBondContact O-N 2.9Å; G584-G586 PolarHBondContact O-N 3.42Å
585	K	77.4	Confident	76.1	Confident	128 Å²	128	95.6 Å²	95.6	56%	0.557	45%	0.445	S	S	*	.			trans	-64.8	121.7	-175.1	-72.4	-179.9	175	175.1	0	111.9	F579 C580 C583 F587	F579-K585 WeakPolarHBondContact CA-O 3.34Å; C580-K585 PolarHBondContact N-O 3.32Å; C583-K585 PolarHBondContact O-N 3.25Å; K585-F587 HydrophobicContact CB-CE2 3.8Å; K585-F587 HydrophobicContact CB-CZ 4.12Å; K585-F587 VanDerWaalsContact O-CD2 3.26Å; K585-F587 WeakPolarHBondContact O-CD2 3.41Å; K585-F587 VanDerWaalsContact O-CE2 3.22Å; K585-F587 WeakPolarHBondContact O-CE2 3.23Å
586	G	82.7	Confident	77.2	Confident	12 Å²	12	87.2 Å²	87.2	12%	0.124	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.9	176.1	0	0	0	0	0	113.7	R576 G584	R576-G586 PolarHBondContact NH1-O 2.87Å; R576-G586 VanDerWaalsContact NH1-O 3.17Å; G584-G586 PolarHBondContact O-N 3.42Å
587	F	84.6	Confident	78	Confident	46 Å²	46	85.4 Å²	85.4	20%	0.202	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.2	-178.3	-62	-91.1	0	0	0	111.3	R576 K577 H578 C580 K585 H592 L593 H596	R576-F587 CarbonylContact C-O 3.51Å; R576-F587 WeakPolarHBondContact CA-O 3.3Å; K577-F587 PolarHBondContact N-O 2.88Å; H578-F587 PolarHBondContact N-O 2.77Å; H578-F587 VanDerWaalsContact N-O 3.15Å; H578-F587 WeakPolarHBondContact O-CB 3.47Å; H578-F587 PolarHBondContact O-N 3.4Å; C580-F587 HydrophobicContact CB-CE2 4.34Å; K585-F587 HydrophobicContact CB-CE2 3.8Å; K585-F587 HydrophobicContact CB-CZ 4.12Å; K585-F587 VanDerWaalsContact O-CD2 3.26Å; K585-F587 WeakPolarHBondContact O-CD2 3.41Å; K585-F587 VanDerWaalsContact O-CE2 3.22Å; K585-F587 WeakPolarHBondContact O-CE2 3.23Å; F587-H592 HydrophobicContact CB-CB 4.4Å; F587-H592 HydrophobicContact CD1-CB 3.99Å; F587-H592 HydrophobicContact CG-CB 4.5Å; F587-L593 HydrophobicContact CB-CB 4.41Å; F587-L593 HydrophobicContact CD2-CB 4.23Å; F587-L593 HydrophobicContact CD2-CD1 3.95Å; F587-L593 HydrophobicContact CE2-CD1 4.19Å; F587-L593 HydrophobicContact CG-CB 4.45Å; F587-H596 HydrophobicContact CE1-CB 4.06Å; F587-H596 HydrophobicContact CE2-CB 3.94Å; F587-H596 AromaticContact CE2-CD2 3.47Å; F587-H596 VanDerWaalsContact CE2-CD2 3.47Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.37Å; F587-H596 AromaticContact CE2-CG 3.75Å; F587-H596 HydrophobicContact CZ-CB 3.52Å; F587-H596 AromaticContact CZ-CD2 3.49Å; F587-H596 VanDerWaalsContact CZ-CD2 3.49Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.31Å; F587-H596 AromaticContact CZ-CG 3.32Å; F587-H596 AromaticContact CZ-ND1 3.96Å
588	Y	82.1	Confident	78.1	Confident	111 Å²	111	78 Å²	78	44%	0.435	38%	0.377	S	S	.	.	S	Bend	trans	-77.5	-18.1	-179.2	-57.5	-71.8	0	0	0	114.4	D573 R575 R576	D573-Y588 WeakPolarHBondContact OD2-CE1 3.45Å; D573-Y588 PolarHBondContact OD2-OH 3Å; R575-Y588 HydrophobicContact CB-CD1 3.59Å; R575-Y588 HydrophobicContact CB-CE1 3.75Å; R576-Y588 HydrophobicContact CB-CD1 4.48Å; R576-Y588 HydrophobicContact CG-CD1 3.64Å; R576-Y588 HydrophobicContact CG-CE1 3.34Å; R576-Y588 HydrophobicContact CG-CE2 4.48Å; R576-Y588 HydrophobicContact CG-CG 4.33Å; R576-Y588 PolarHBondContact NE-OH 3.37Å; R576-Y588 PolarHBondContact NH2-OH 3.37Å
589	Q	82.4	Confident	77.8	Confident	104 Å²	104	80.7 Å²	80.7	49%	0.486	40%	0.395	S	S	.	.	S	Bend	trans	-145.1	146.2	-175.1	-64.3	177.9	-17.5	0	0	111.9	C591 H592 L593	Q589-C591 VanDerWaalsContact C-N 3.27Å; Q589-C591 VanDerWaalsContact CB-SG 3.55Å; Q589-C591 PolarHBondContact O-N 2.9Å; Q589-C591 PolarHBondContact OE1-SG 3.14Å; Q589-C591 VanDerWaalsContact OE1-SG 3.38Å; Q589-H592 PolarHBondContact O-N 3.11Å; Q589-H592 PolarHBondContact OE1-CE1 3.15Å; Q589-L593 PolarHBondContact O-N 3.42Å
590	R	75.3	Confident	77.5	Confident	188 Å²	188	78.7 Å²	78.7	71%	0.709	39%	0.387	S	S	*	.	H	α-helix	trans	-60.5	-31.5	-180	-72.3	-171.4	166	98.9	-7.1	113.5	H578 L593 R594	H578-R590 PolarHBondContact CD2-N 3.12Å; H578-R590 VanDerWaalsContact CD2-N 3.28Å; H578-R590 VanDerWaalsContact CE1-CG 3.43Å; H578-R590 WeakPolarHBondContact CE1-CG 3.38Å; R590-L593 PolarHBondContact O-N 3Å; R590-R594 WeakPolarHBondContact O-CB 3.4Å; R590-R594 PolarHBondContact O-N 3.35Å
591	C	77	Confident	76.7	Confident	71 Å²	71	82.1 Å²	82.1	48%	0.48	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-46.9	176.2	53.3	0	0	0	0	112.1	Q589 L593 R594 E595	Q589-C591 VanDerWaalsContact C-N 3.27Å; Q589-C591 VanDerWaalsContact CB-SG 3.55Å; Q589-C591 PolarHBondContact O-N 2.9Å; Q589-C591 PolarHBondContact OE1-SG 3.14Å; Q589-C591 VanDerWaalsContact OE1-SG 3.38Å; C591-L593 VanDerWaalsContact C-N 3.33Å; C591-L593 PolarHBondContact O-N 2.82Å; C591-R594 PolarHBondContact O-N 3.06Å; C591-E595 WeakPolarHBondContact O-CB 3.43Å; C591-E595 PolarHBondContact O-N 3.25Å
592	H	78.6	Confident	76	Confident	87 Å²	87	83.6 Å²	83.6	40%	0.403	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-34.8	177.2	-61.1	134	0	0	0	112.4	F587 Q589 H596	F587-H592 HydrophobicContact CB-CB 4.4Å; F587-H592 HydrophobicContact CD1-CB 3.99Å; F587-H592 HydrophobicContact CG-CB 4.5Å; Q589-H592 PolarHBondContact O-N 3.11Å; Q589-H592 PolarHBondContact OE1-CE1 3.15Å; H592-H596 WeakPolarHBondContact O-CB 3.43Å; H592-H596 PolarHBondContact O-N 3.43Å
593	L	81.3	Confident	75.2	Confident	22 Å²	22	83.4 Å²	83.4	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-66.3	-45.4	171.5	174.8	60.7	0	0	0	111.9	H578 F579 C580 F587 Q589 R590 C591 E595 H596 Y597	H578-L593 HydrophobicContact CB-CB 4.21Å; H578-L593 HydrophobicContact CB-CD2 3.82Å; F579-L593 WeakPolarHBondContact O-CD1 3.38Å; F579-L593 VanDerWaalsContact O-CD2 3.26Å; F579-L593 WeakPolarHBondContact O-CD2 3.42Å; C580-L593 HydrophobicContact CB-CD1 3.76Å; F587-L593 HydrophobicContact CB-CB 4.41Å; F587-L593 HydrophobicContact CD2-CB 4.23Å; F587-L593 HydrophobicContact CD2-CD1 3.95Å; F587-L593 HydrophobicContact CE2-CD1 4.19Å; F587-L593 HydrophobicContact CG-CB 4.45Å; Q589-L593 PolarHBondContact O-N 3.42Å; R590-L593 PolarHBondContact O-N 3Å; C591-L593 VanDerWaalsContact C-N 3.33Å; C591-L593 PolarHBondContact O-N 2.82Å; L593-E595 VanDerWaalsContact C-N 3.33Å; L593-E595 PolarHBondContact O-N 3.25Å; L593-H596 WeakPolarHBondContact O-CB 3.3Å; L593-H596 PolarHBondContact O-N 3.19Å; L593-H596 VanDerWaalsContact O-N 3.16Å; L593-Y597 HydrophobicContact CD1-CD2 4.07Å; L593-Y597 HydrophobicContact CD1-CE2 3.55Å; L593-Y597 HydrophobicContact CD2-CE2 4.12Å; L593-Y597 HydrophobicContact CG-CD2 4.1Å; L593-Y597 HydrophobicContact CG-CE2 3.63Å; L593-Y597 VanDerWaalsContact O-CD2 3.24Å; L593-Y597 WeakPolarHBondContact O-CD2 3.37Å; L593-Y597 PolarHBondContact O-N 3.41Å
594	R	77.4	Confident	74.6	Confident	199 Å²	199	86 Å²	86	75%	0.751	41%	0.409	S	S	*	.	H	α-helix	trans	-60.2	-42.7	176.5	-175.9	-178.4	-70.1	172.9	-2.5	111.6	R590 C591 Y597	R590-R594 WeakPolarHBondContact O-CB 3.4Å; R590-R594 PolarHBondContact O-N 3.35Å; C591-R594 PolarHBondContact O-N 3.06Å; R594-Y597 PolarHBondContact O-N 2.84Å
595	E	72.4	Confident	74.1	Confident	66 Å²	66	89 Å²	89	31%	0.308	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-43.8	173.8	-167.6	-161.3	95.2	0	0	111.3	C591 L593 Y597 T598 R617	C591-E595 WeakPolarHBondContact O-CB 3.43Å; C591-E595 PolarHBondContact O-N 3.25Å; L593-E595 VanDerWaalsContact C-N 3.33Å; L593-E595 PolarHBondContact O-N 3.25Å; E595-Y597 VanDerWaalsContact C-N 3.28Å; E595-Y597 PolarHBondContact O-N 3.02Å; E595-T598 WeakPolarHBondContact O-CB 3.28Å; E595-T598 PolarHBondContact O-N 3.17Å; E595-T598 VanDerWaalsContact O-N 3.08Å; E595-T598 PolarHBondContact O-OG1 3.48Å; E595-R617 HydrophobicContact CG-CG 4.22Å; E595-R617 IonicContact OE1-CZ 3.63Å; E595-R617 IonicContact OE1-NE 3.73Å; E595-R617 PolarHBondContact OE1-NE 3.24Å; E595-R617 IonicContact OE1-NH2 3.22Å; E595-R617 PolarHBondContact OE1-NH2 2.82Å; E595-R617 WeakPolarHBondContact OE2-CD 3.5Å; E595-R617 WeakPolarHBondContact OE2-CG 3.44Å; E595-R617 IonicContact OE2-CZ 2.89Å; E595-R617 IonicContact OE2-NE 2.79Å; E595-R617 PolarHBondContact OE2-NE 3.12Å; E595-R617 IonicContact OE2-NH2 3.22Å
596	H	81.4	Confident	73.9	Confident	24 Å²	24	85.8 Å²	85.8	11%	0.111	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-32.3	178.3	179.4	52.4	0	0	0	113.3	C580 C583 F587 H592 L593 T598 V599 H600	C580-H596 VanDerWaalsContact SG-CD2 3.55Å; C583-H596 PolarHBondContact SG-NE2 2.86Å; F587-H596 HydrophobicContact CE1-CB 4.06Å; F587-H596 HydrophobicContact CE2-CB 3.94Å; F587-H596 AromaticContact CE2-CD2 3.47Å; F587-H596 VanDerWaalsContact CE2-CD2 3.47Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.37Å; F587-H596 AromaticContact CE2-CG 3.75Å; F587-H596 HydrophobicContact CZ-CB 3.52Å; F587-H596 AromaticContact CZ-CD2 3.49Å; F587-H596 VanDerWaalsContact CZ-CD2 3.49Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.31Å; F587-H596 AromaticContact CZ-CG 3.32Å; F587-H596 AromaticContact CZ-ND1 3.96Å; H592-H596 WeakPolarHBondContact O-CB 3.43Å; H592-H596 PolarHBondContact O-N 3.43Å; L593-H596 WeakPolarHBondContact O-CB 3.3Å; L593-H596 PolarHBondContact O-N 3.19Å; L593-H596 VanDerWaalsContact O-N 3.16Å; H596-T598 PolarHBondContact O-N 3.01Å; H596-V599 VanDerWaalsContact O-CB 3.29Å; H596-V599 WeakPolarHBondContact O-CB 3.07Å; H596-V599 WeakPolarHBondContact O-CG2 3.47Å; H596-V599 PolarHBondContact O-N 3.39Å; H596-H600 AromaticContact CD2-NE2 3.82Å; H596-H600 AromaticContact CE1-NE2 3.47Å; H596-H600 PolarHBondContact CE1-NE2 3.09Å; H596-H600 AromaticContact NE2-CD2 3.84Å; H596-H600 AromaticContact NE2-NE2 3.03Å; H596-H600 PolarHBondContact NE2-NE2 2.9Å
597	Y	73.6	Confident	73.7	Confident	65 Å²	65	88.5 Å²	88.5	26%	0.255	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-30	174.4	-80.8	-66.2	0	0	0	113.3	N581 L582 L593 R594 E595 V599 H600 T601	N581-Y597 PolarHBondContact N-OH 2.88Å; N581-Y597 VanDerWaalsContact N-OH 3.08Å; L582-Y597 HydrophobicContact CD1-CD1 3.96Å; L582-Y597 HydrophobicContact CD1-CE1 3.99Å; L582-Y597 HydrophobicContact CG-CE1 4.12Å; L593-Y597 HydrophobicContact CD1-CD2 4.07Å; L593-Y597 HydrophobicContact CD1-CE2 3.55Å; L593-Y597 HydrophobicContact CD2-CE2 4.12Å; L593-Y597 HydrophobicContact CG-CD2 4.1Å; L593-Y597 HydrophobicContact CG-CE2 3.63Å; L593-Y597 VanDerWaalsContact O-CD2 3.24Å; L593-Y597 WeakPolarHBondContact O-CD2 3.37Å; L593-Y597 PolarHBondContact O-N 3.41Å; R594-Y597 PolarHBondContact O-N 2.84Å; E595-Y597 VanDerWaalsContact C-N 3.28Å; E595-Y597 PolarHBondContact O-N 3.02Å; Y597-V599 PolarHBondContact O-N 2.89Å; Y597-H600 PolarHBondContact O-N 3.36Å; Y597-T601 PolarHBondContact O-N 2.76Å; Y597-T601 VanDerWaalsContact O-N 3.08Å
598	T	74.3	Confident	73.8	Confident	9 Å²	9	86.4 Å²	86.4	6%	0.055	40%	0.399	C	S	.	.	H	α-helix	trans	-65.5	-18.8	175.6	71.3	0	0	0	0	113.5	E595 H596 H600 K602	E595-T598 WeakPolarHBondContact O-CB 3.28Å; E595-T598 PolarHBondContact O-N 3.17Å; E595-T598 VanDerWaalsContact O-N 3.08Å; E595-T598 PolarHBondContact O-OG1 3.48Å; H596-T598 PolarHBondContact O-N 3.01Å; T598-H600 VanDerWaalsContact C-N 3.34Å; T598-K602 VanDerWaalsContact O-CA 3.31Å; T598-K602 WeakPolarHBondContact O-CA 3.34Å; T598-K602 PolarHBondContact O-N 3.45Å
599	V	72.9	Confident	73.7	Confident	86 Å²	86	90.6 Å²	90.6	52%	0.521	42%	0.423	S	S	.	.	H	α-helix	trans	-71.7	-32.5	173.4	-174.6	0	0	0	0	110.9	H596 Y597	H596-V599 VanDerWaalsContact O-CB 3.29Å; H596-V599 WeakPolarHBondContact O-CB 3.07Å; H596-V599 WeakPolarHBondContact O-CG2 3.47Å; H596-V599 PolarHBondContact O-N 3.39Å; Y597-V599 PolarHBondContact O-N 2.89Å
600	H	73.6	Confident	73.4	Confident	68 Å²	68	90.5 Å²	90.5	32%	0.315	43%	0.429	S	S	.	.	H	α-helix	trans	-83	-46.1	178.4	-62.4	-73.2	0	0	0	111.9	L582 H596 Y597 T598 K602	L582-H600 HydrophobicContact CD1-CB 3.6Å; H596-H600 AromaticContact CD2-NE2 3.82Å; H596-H600 AromaticContact CE1-NE2 3.47Å; H596-H600 PolarHBondContact CE1-NE2 3.09Å; H596-H600 AromaticContact NE2-CD2 3.84Å; H596-H600 AromaticContact NE2-NE2 3.03Å; H596-H600 PolarHBondContact NE2-NE2 2.9Å; Y597-H600 PolarHBondContact O-N 3.36Å; T598-H600 VanDerWaalsContact C-N 3.34Å; H600-K602 VanDerWaalsContact C-N 3.25Å; H600-K602 PolarHBondContact O-N 3.02Å
601	T	65.4	Low	73.8	Confident	74 Å²	74	84.1 Å²	84.1	45%	0.454	41%	0.413	S	S	.	.	H	α-helix	trans	-72.9	-18.9	178.1	70.1	0	0	0	0	113	Y597 E603	Y597-T601 PolarHBondContact O-N 2.76Å; Y597-T601 VanDerWaalsContact O-N 3.08Å; T601-E603 WeakPolarHBondContact CB-OE2 3.31Å; T601-E603 PolarHBondContact O-N 3.24Å; T601-E603 VanDerWaalsContact O-N 3.13Å; T601-E603 WeakPolarHBondContact OG1-CB 3.39Å; T601-E603 WeakPolarHBondContact OG1-CG 3.42Å; T601-E603 PolarHBondContact OG1-N 3.37Å; T601-E603 PolarHBondContact OG1-OE2 3.25Å
602	K	62.5	Low	73.9	Confident	172 Å²	172	83 Å²	83	75%	0.748	41%	0.414	S	S	*	.			trans	61.1	8.6	-173.8	-56	176.1	-177	172.9	0	114.2	T598 H600 K604	T598-K602 VanDerWaalsContact O-CA 3.31Å; T598-K602 WeakPolarHBondContact O-CA 3.34Å; T598-K602 PolarHBondContact O-N 3.45Å; H600-K602 VanDerWaalsContact C-N 3.25Å; H600-K602 PolarHBondContact O-N 3.02Å; K602-K604 PolarHBondContact O-N 3.02Å
603	E	55.6	Low	73.9	Confident	109 Å²	109	85 Å²	85	51%	0.509	42%	0.421	S	S	.	.			trans	-72.8	111.1	-178	-66	171.7	135.7	0	0	111.5	T601 Q605	T601-E603 WeakPolarHBondContact CB-OE2 3.31Å; T601-E603 PolarHBondContact O-N 3.24Å; T601-E603 VanDerWaalsContact O-N 3.13Å; T601-E603 WeakPolarHBondContact OG1-CB 3.39Å; T601-E603 WeakPolarHBondContact OG1-CG 3.42Å; T601-E603 PolarHBondContact OG1-N 3.37Å; T601-E603 PolarHBondContact OG1-OE2 3.25Å; E603-Q605 HydrophobicContact CB-CG 4.38Å; E603-Q605 PolarHBondContact O-N 3.43Å; E603-Q605 VanDerWaalsContact O-N 3.14Å
604	K	60.1	Low	73.9	Confident	107 Å²	107	89.1 Å²	89.1	47%	0.465	44%	0.44	S	S	.	.			trans	-86.2	82.8	176	-64.4	178.7	178.8	179.6	0	110.6	K602 F606 Q614 F615 L616	K602-K604 PolarHBondContact O-N 3.02Å; K604-F606 PolarHBondContact O-N 3.32Å; K604-F606 VanDerWaalsContact O-N 3.15Å; K604-Q614 HydrophobicContact CB-CB 3.53Å; K604-Q614 HydrophobicContact CD-CB 3.83Å; K604-Q614 HydrophobicContact CG-CB 4.35Å; K604-F615 CarbonylContact C-O 3.24Å; K604-L616 HydrophobicContact CG-CD2 3.85Å; K604-L616 HydrophobicContact CG-CG 4.27Å
605	Q	65.9	Low	74	Confident	121 Å²	121	81.7 Å²	81.7	57%	0.565	41%	0.413	S	S	*	.			trans	-64.2	-16.7	-170.8	-64.6	175.9	-5	0	0	115	E603 F615	E603-Q605 HydrophobicContact CB-CG 4.38Å; E603-Q605 PolarHBondContact O-N 3.43Å; E603-Q605 VanDerWaalsContact O-N 3.14Å; Q605-F615 PolarHBondContact N-O 3.37Å
606	F	73.9	Confident	74.1	Confident	60 Å²	60	81.4 Å²	81.4	26%	0.263	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.5	-171.6	-59.9	-78.4	0	0	0	112.3	K604 Q614 F615 L616 E618 L621	K604-F606 PolarHBondContact O-N 3.32Å; K604-F606 VanDerWaalsContact O-N 3.15Å; F606-Q614 CarbonylContact O-C 3.38Å; F606-Q614 WeakPolarHBondContact O-CA 3.35Å; F606-F615 HydrophobicContact CB-CB 4.26Å; F606-F615 PolarHBondContact N-O 3.47Å; F606-F615 VanDerWaalsContact N-O 3.12Å; F606-F615 PolarHBondContact O-N 2.93Å; F606-L616 WeakPolarHBondContact CE2-O 3.35Å; F606-E618 HydrophobicContact CD1-CB 3.78Å; F606-E618 HydrophobicContact CD1-CG 3.74Å; F606-E618 HydrophobicContact CE1-CB 3.53Å; F606-E618 HydrophobicContact CE1-CG 3.64Å; F606-E618 HydrophobicContact CE2-CB 4.42Å; F606-E618 HydrophobicContact CG-CB 4.34Å; F606-E618 HydrophobicContact CZ-CB 3.88Å; F606-E618 HydrophobicContact CZ-CG 4.46Å; F606-L621 HydrophobicContact CB-CB 4.02Å; F606-L621 HydrophobicContact CB-CD2 3.83Å
607	V	77.8	Confident	73.7	Confident	70 Å²	70	85.4 Å²	85.4	42%	0.424	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.3	-176.2	-167.5	0	0	0	0	112.1	Q609 Q614	V607-Q609 PolarHBondContact O-N 3.1Å; V607-Q614 HydrophobicContact CG1-CG 4.27Å; V607-Q614 HydrophobicContact CG2-CG 4.07Å
608	C	86.5	Confident	73.9	Confident	1 Å²	1	86.3 Å²	86.3	1%	0.007	43%	0.434	C	S	.	.			trans	-78.7	112.9	171	-178.5	0	0	0	0	111.1	T610 C611 G612 K613 F615 L621 N625 H628	C608-T610 PolarHBondContact O-N 3.02Å; C608-C611 PolarHBondContact O-N 3.32Å; C608-G612 WeakPolarHBondContact O-CA 3.3Å; C608-G612 PolarHBondContact O-N 3.48Å; C608-K613 WeakPolarHBondContact CB-O 3.49Å; C608-K613 PolarHBondContact N-O 3.46Å; C608-F615 HydrophobicContact CB-CE2 4.23Å; C608-L621 HydrophobicContact CB-CD1 3.65Å; C608-N625 PolarHBondContact SG-OD1 2.81Å; C608-H628 PolarHBondContact SG-NE2 3.16Å; C608-H628 VanDerWaalsContact SG-NE2 3.44Å
609	Q	80.1	Confident	74.2	Confident	200 Å²	200	95.1 Å²	95.1	94%	0.935	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.7	177.7	-65.2	177.2	-7.5	0	0	112.9	V607	V607-Q609 PolarHBondContact O-N 3.1Å
610	T	76.3	Confident	74.5	Confident	101 Å²	101	94.4 Å²	94.4	62%	0.62	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-23.7	-178.9	-44.4	0	0	0	0	113.8	C608 H628	C608-T610 PolarHBondContact O-N 3.02Å; T610-H628 HydrophobicContact CG2-CB 4.47Å
611	C	82.5	Confident	75.1	Confident	55 Å²	55	92.2 Å²	92.2	37%	0.372	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	5.5	-172.5	74.5	0	0	0	0	115.8	C608 K613 H624	C608-C611 PolarHBondContact O-N 3.32Å; C611-K613 PolarHBondContact O-N 3.28Å; C611-K613 VanDerWaalsContact O-N 3.09Å; C611-H624 PolarHBondContact SG-NE2 3.42Å
612	G	79.4	Confident	75.9	Confident	48 Å²	48	94.9 Å²	94.9	50%	0.495	45%	0.449	S	S	.	.			trans	71.2	-6.6	-179.3	0	0	0	0	0	116.2	C608 Q614	C608-G612 WeakPolarHBondContact O-CA 3.3Å; C608-G612 PolarHBondContact O-N 3.48Å; G612-Q614 PolarHBondContact O-N 3.42Å
613	K	78.2	Confident	76.9	Confident	128 Å²	128	91.9 Å²	91.9	56%	0.557	44%	0.441	S	S	*	.			trans	-65.6	132.1	-177.2	-69.8	-176.9	179	-176.1	0	111.6	C608 C611 F615	C608-K613 WeakPolarHBondContact CB-O 3.49Å; C608-K613 PolarHBondContact N-O 3.46Å; C611-K613 PolarHBondContact O-N 3.28Å; C611-K613 VanDerWaalsContact O-N 3.09Å; K613-F615 HydrophobicContact CB-CE2 3.83Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 WeakPolarHBondContact O-CD2 3.49Å; K613-F615 WeakPolarHBondContact O-CE2 3.3Å
614	Q	81.5	Confident	78.4	Confident	109 Å²	109	88 Å²	88	51%	0.509	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.7	-177.5	-48.2	-179.5	-21.5	0	0	111.4	K604 F606 V607 G612	K604-Q614 HydrophobicContact CB-CB 3.53Å; K604-Q614 HydrophobicContact CD-CB 3.83Å; K604-Q614 HydrophobicContact CG-CB 4.35Å; F606-Q614 CarbonylContact O-C 3.38Å; F606-Q614 WeakPolarHBondContact O-CA 3.35Å; V607-Q614 HydrophobicContact CG1-CG 4.27Å; V607-Q614 HydrophobicContact CG2-CG 4.07Å; G612-Q614 PolarHBondContact O-N 3.42Å
615	F	80.5	Confident	79.5	Confident	42 Å²	42	85.2 Å²	85.2	18%	0.184	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.9	-175.3	-59.3	-87.4	0	0	0	111.3	K604 Q605 F606 C608 K613 Q620 L621 H624	K604-F615 CarbonylContact C-O 3.24Å; Q605-F615 PolarHBondContact N-O 3.37Å; F606-F615 HydrophobicContact CB-CB 4.26Å; F606-F615 PolarHBondContact N-O 3.47Å; F606-F615 VanDerWaalsContact N-O 3.12Å; F606-F615 PolarHBondContact O-N 2.93Å; C608-F615 HydrophobicContact CB-CE2 4.23Å; K613-F615 HydrophobicContact CB-CE2 3.83Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 WeakPolarHBondContact O-CD2 3.49Å; K613-F615 WeakPolarHBondContact O-CE2 3.3Å; F615-Q620 HydrophobicContact CB-CB 4.16Å; F615-Q620 HydrophobicContact CD1-CB 3.89Å; F615-Q620 HydrophobicContact CG-CB 4.26Å; F615-L621 HydrophobicContact CD2-CB 4.14Å; F615-L621 HydrophobicContact CD2-CD1 4.06Å; F615-L621 HydrophobicContact CE2-CD1 4.25Å; F615-H624 HydrophobicContact CE1-CB 4.23Å; F615-H624 HydrophobicContact CE2-CB 4.03Å; F615-H624 AromaticContact CE2-CD2 3.52Å; F615-H624 AromaticContact CE2-CG 3.83Å; F615-H624 HydrophobicContact CZ-CB 3.65Å; F615-H624 AromaticContact CZ-CD2 3.45Å; F615-H624 VanDerWaalsContact CZ-CD2 3.45Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.23Å; F615-H624 AromaticContact CZ-CG 3.38Å; F615-H624 AromaticContact CZ-ND1 4Å
616	L	73.7	Confident	80.3	Confident	60 Å²	60	83.2 Å²	83.2	31%	0.314	41%	0.406	S	S	.	.	S	Bend	trans	-87.5	-22.7	177.7	-65.9	168.4	0	0	0	112.5	K604 F606	K604-L616 HydrophobicContact CG-CD2 3.85Å; K604-L616 HydrophobicContact CG-CG 4.27Å; F606-L616 WeakPolarHBondContact CE2-O 3.35Å
617	R	74.6	Confident	80.4	Confident	108 Å²	108	86.8 Å²	86.8	41%	0.408	43%	0.426	S	S	.	.	S	Bend	trans	-123.2	138.2	-180	-58.5	175.8	172.9	127.7	2.5	111.6	E595 R619 Q620 L621	E595-R617 HydrophobicContact CG-CG 4.22Å; E595-R617 IonicContact OE1-CZ 3.63Å; E595-R617 IonicContact OE1-NE 3.73Å; E595-R617 PolarHBondContact OE1-NE 3.24Å; E595-R617 IonicContact OE1-NH2 3.22Å; E595-R617 PolarHBondContact OE1-NH2 2.82Å; E595-R617 WeakPolarHBondContact OE2-CD 3.5Å; E595-R617 WeakPolarHBondContact OE2-CG 3.44Å; E595-R617 IonicContact OE2-CZ 2.89Å; E595-R617 IonicContact OE2-NE 2.79Å; E595-R617 PolarHBondContact OE2-NE 3.12Å; E595-R617 IonicContact OE2-NH2 3.22Å; R617-R619 VanDerWaalsContact C-N 3.27Å; R617-R619 PolarHBondContact O-N 3.36Å; R617-Q620 HydrophobicContact CB-CB 4.3Å; R617-Q620 HydrophobicContact CB-CG 3.97Å; R617-Q620 WeakPolarHBondContact O-CB 3.42Å; R617-Q620 PolarHBondContact O-N 2.83Å; R617-L621 PolarHBondContact O-N 3.1Å
618	E	77.6	Confident	80.3	Confident	85 Å²	85	87.2 Å²	87.2	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-57.7	-39	172.8	-154	-137.8	138.5	0	0	112.1	F606 Q620 L621 R622	F606-E618 HydrophobicContact CD1-CB 3.78Å; F606-E618 HydrophobicContact CD1-CG 3.74Å; F606-E618 HydrophobicContact CE1-CB 3.53Å; F606-E618 HydrophobicContact CE1-CG 3.64Å; F606-E618 HydrophobicContact CE2-CB 4.42Å; F606-E618 HydrophobicContact CG-CB 4.34Å; F606-E618 HydrophobicContact CZ-CB 3.88Å; F606-E618 HydrophobicContact CZ-CG 4.46Å; E618-Q620 VanDerWaalsContact C-N 3.27Å; E618-Q620 PolarHBondContact O-N 3.28Å; E618-L621 CarbonylContact O-C 3.55Å; E618-L621 WeakPolarHBondContact O-CA 3.42Å; E618-L621 WeakPolarHBondContact O-CB 3.3Å; E618-L621 PolarHBondContact O-N 2.98Å; E618-L621 VanDerWaalsContact O-N 3.1Å; E618-R622 WeakPolarHBondContact O-CG 3.42Å; E618-R622 PolarHBondContact O-N 3.26Å; E618-R622 IonicContact OE1-CZ 2.75Å; E618-R622 IonicContact OE1-NE 3.31Å; E618-R622 PolarHBondContact OE1-NE 2.89Å; E618-R622 IonicContact OE1-NH2 2.94Å; E618-R622 PolarHBondContact OE1-NH2 2.91Å; E618-R622 IonicContact OE2-CZ 3.52Å; E618-R622 IonicContact OE2-NE 3.39Å; E618-R622 IonicContact OE2-NH2 2.76Å; E618-R622 PolarHBondContact OE2-NH2 3.19Å
619	R	79	Confident	79.4	Confident	194 Å²	194	93.9 Å²	93.9	73%	0.732	45%	0.452	S	S	*	.	H	α-helix	trans	-59.1	-35.7	175.1	-171.4	-173.2	-67.1	-176.1	0.4	112.7	R617 R622 L623	R617-R619 VanDerWaalsContact C-N 3.27Å; R617-R619 PolarHBondContact O-N 3.36Å; R619-R622 PolarHBondContact O-N 3.31Å; R619-L623 HydrophobicContact CG-CD1 4.32Å; R619-L623 WeakPolarHBondContact O-CG 3.24Å; R619-L623 PolarHBondContact O-N 2.77Å
620	Q	80.1	Confident	78.3	Confident	70 Å²	70	86.6 Å²	86.6	33%	0.327	43%	0.43	S	S	.	.	H	α-helix	trans	-69.7	-40.1	176.3	-69.2	167.2	-29.9	0	0	110.6	F615 R617 E618 H624	F615-Q620 HydrophobicContact CB-CB 4.16Å; F615-Q620 HydrophobicContact CD1-CB 3.89Å; F615-Q620 HydrophobicContact CG-CB 4.26Å; R617-Q620 HydrophobicContact CB-CB 4.3Å; R617-Q620 HydrophobicContact CB-CG 3.97Å; R617-Q620 WeakPolarHBondContact O-CB 3.42Å; R617-Q620 PolarHBondContact O-N 2.83Å; E618-Q620 VanDerWaalsContact C-N 3.27Å; E618-Q620 PolarHBondContact O-N 3.28Å; Q620-H624 VanDerWaalsContact O-CB 3.27Å; Q620-H624 WeakPolarHBondContact O-CB 3.34Å; Q620-H624 PolarHBondContact O-N 3.29Å
621	L	85.4	Confident	77	Confident	23 Å²	23	90.7 Å²	90.7	12%	0.12	44%	0.444	C	S	.	.	H	α-helix	trans	-64	-42.9	172.6	174.6	60.7	0	0	0	112.1	F606 C608 F615 R617 E618 H624 N625	F606-L621 HydrophobicContact CB-CB 4.02Å; F606-L621 HydrophobicContact CB-CD2 3.83Å; C608-L621 HydrophobicContact CB-CD1 3.65Å; F615-L621 HydrophobicContact CD2-CB 4.14Å; F615-L621 HydrophobicContact CD2-CD1 4.06Å; F615-L621 HydrophobicContact CE2-CD1 4.25Å; R617-L621 PolarHBondContact O-N 3.1Å; E618-L621 CarbonylContact O-C 3.55Å; E618-L621 WeakPolarHBondContact O-CA 3.42Å; E618-L621 WeakPolarHBondContact O-CB 3.3Å; E618-L621 PolarHBondContact O-N 2.98Å; E618-L621 VanDerWaalsContact O-N 3.1Å; L621-H624 PolarHBondContact O-N 3.07Å; L621-N625 WeakPolarHBondContact CD1-OD1 3.49Å; L621-N625 WeakPolarHBondContact O-CB 3.39Å; L621-N625 PolarHBondContact O-N 3.41Å; L621-N625 PolarHBondContact O-ND2 2.93Å
622	R	83.7	Confident	75.5	Confident	129 Å²	129	92.4 Å²	92.4	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-57.3	-56.3	174.7	-67.5	-172.7	-159.6	174.7	8.7	110.7	E618 R619 H624 N625 D626	E618-R622 WeakPolarHBondContact O-CG 3.42Å; E618-R622 PolarHBondContact O-N 3.26Å; E618-R622 IonicContact OE1-CZ 2.75Å; E618-R622 IonicContact OE1-NE 3.31Å; E618-R622 PolarHBondContact OE1-NE 2.89Å; E618-R622 IonicContact OE1-NH2 2.94Å; E618-R622 PolarHBondContact OE1-NH2 2.91Å; E618-R622 IonicContact OE2-CZ 3.52Å; E618-R622 IonicContact OE2-NE 3.39Å; E618-R622 IonicContact OE2-NH2 2.76Å; E618-R622 PolarHBondContact OE2-NH2 3.19Å; R619-R622 PolarHBondContact O-N 3.31Å; R622-H624 PolarHBondContact O-N 3.45Å; R622-N625 CarbonylContact O-C 3.59Å; R622-N625 WeakPolarHBondContact O-CA 3.42Å; R622-N625 WeakPolarHBondContact O-CB 3.35Å; R622-N625 PolarHBondContact O-N 3.08Å; R622-D626 VanDerWaalsContact O-CG 3.23Å; R622-D626 PolarHBondContact O-N 3Å
623	L	83.2	Confident	73.5	Confident	110 Å²	110	94.9 Å²	94.9	58%	0.576	47%	0.472	S	S	*	.	H	α-helix	trans	-56.2	-38.4	177.5	-71.7	169.2	0	0	0	112.5	R619 D626 M627	R619-L623 HydrophobicContact CG-CD1 4.32Å; R619-L623 WeakPolarHBondContact O-CG 3.24Å; R619-L623 PolarHBondContact O-N 2.77Å; L623-D626 PolarHBondContact O-N 3.23Å; L623-M627 WeakPolarHBondContact O-CG 3.18Å; L623-M627 PolarHBondContact O-N 3.29Å
624	H	86.1	Confident	71.7	Confident	28 Å²	28	92.7 Å²	92.7	13%	0.13	49%	0.486	C	S	.	.	H	α-helix	trans	-68.8	-39	175.8	-175.6	57.7	0	0	0	113.2	C611 F615 Q620 L621 R622 D626 M627 H628	C611-H624 PolarHBondContact SG-NE2 3.42Å; F615-H624 HydrophobicContact CE1-CB 4.23Å; F615-H624 HydrophobicContact CE2-CB 4.03Å; F615-H624 AromaticContact CE2-CD2 3.52Å; F615-H624 AromaticContact CE2-CG 3.83Å; F615-H624 HydrophobicContact CZ-CB 3.65Å; F615-H624 AromaticContact CZ-CD2 3.45Å; F615-H624 VanDerWaalsContact CZ-CD2 3.45Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.23Å; F615-H624 AromaticContact CZ-CG 3.38Å; F615-H624 AromaticContact CZ-ND1 4Å; Q620-H624 VanDerWaalsContact O-CB 3.27Å; Q620-H624 WeakPolarHBondContact O-CB 3.34Å; Q620-H624 PolarHBondContact O-N 3.29Å; L621-H624 PolarHBondContact O-N 3.07Å; R622-H624 PolarHBondContact O-N 3.45Å; H624-D626 VanDerWaalsContact C-N 3.29Å; H624-M627 WeakPolarHBondContact O-CB 3.29Å; H624-M627 PolarHBondContact O-N 2.91Å; H624-H628 AromaticContact CD2-NE2 3.65Å; H624-H628 AromaticContact CE1-NE2 3.6Å; H624-H628 AromaticContact NE2-CD2 3.98Å; H624-H628 AromaticContact NE2-CE1 3.81Å; H624-H628 AromaticContact NE2-NE2 3.07Å; H624-H628 PolarHBondContact NE2-NE2 3.07Å; H624-H628 PolarHBondContact O-CD2 2.75Å; H624-H628 PolarHBondContact O-N 3.25Å
625	N	83	Confident	69.7	Low	48 Å²	48	96.5 Å²	96.5	26%	0.257	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-32.1	173.1	-67.8	-16.2	0	0	0	111.8	C608 L621 R622 M627 H628 K629	C608-N625 PolarHBondContact SG-OD1 2.81Å; L621-N625 WeakPolarHBondContact CD1-OD1 3.49Å; L621-N625 WeakPolarHBondContact O-CB 3.39Å; L621-N625 PolarHBondContact O-N 3.41Å; L621-N625 PolarHBondContact O-ND2 2.93Å; R622-N625 CarbonylContact O-C 3.59Å; R622-N625 WeakPolarHBondContact O-CA 3.42Å; R622-N625 WeakPolarHBondContact O-CB 3.35Å; R622-N625 PolarHBondContact O-N 3.08Å; N625-M627 VanDerWaalsContact C-N 3.33Å; N625-H628 WeakPolarHBondContact O-CB 3.37Å; N625-H628 PolarHBondContact O-N 2.96Å; N625-K629 PolarHBondContact O-N 2.9Å; N625-K629 VanDerWaalsContact O-N 3.13Å
626	D	83.8	Confident	67.7	Low	79 Å²	79	102.8 Å²	102.8	42%	0.422	54%	0.538	S	S	.	.	H	α-helix	trans	-74.7	-23.3	174.4	-61.4	-32.5	0	0	0	111.7	R622 L623 H624 K629 G630	R622-D626 VanDerWaalsContact O-CG 3.23Å; R622-D626 PolarHBondContact O-N 3Å; L623-D626 PolarHBondContact O-N 3.23Å; H624-D626 VanDerWaalsContact C-N 3.29Å; D626-K629 PolarHBondContact O-N 3.18Å; D626-K629 IonicContact OD1-NZ 2.7Å; D626-G630 WeakPolarHBondContact O-CA 3.29Å; D626-G630 PolarHBondContact O-N 3.43Å
627	M	75.4	Confident	65.9	Low	135 Å²	135	103 Å²	103	67%	0.665	55%	0.554	S	S	*	*	H	α-helix	trans	-68.4	-34.8	164.8	-68.5	177	73.4	0	0	112.7	L623 H624 N625 K629	L623-M627 WeakPolarHBondContact O-CG 3.18Å; L623-M627 PolarHBondContact O-N 3.29Å; H624-M627 WeakPolarHBondContact O-CB 3.29Å; H624-M627 PolarHBondContact O-N 2.91Å; N625-M627 VanDerWaalsContact C-N 3.33Å; M627-K629 VanDerWaalsContact C-N 3.34Å
628	H	75.7	Confident	64.8	Low	78 Å²	78	104.4 Å²	104.4	36%	0.361	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-33.4	172.9	-67.3	-58.3	0	0	0	112.1	C608 T610 H624 N625	C608-H628 PolarHBondContact SG-NE2 3.16Å; C608-H628 VanDerWaalsContact SG-NE2 3.44Å; T610-H628 HydrophobicContact CG2-CB 4.47Å; H624-H628 AromaticContact CD2-NE2 3.65Å; H624-H628 AromaticContact CE1-NE2 3.6Å; H624-H628 AromaticContact NE2-CD2 3.98Å; H624-H628 AromaticContact NE2-CE1 3.81Å; H624-H628 AromaticContact NE2-NE2 3.07Å; H624-H628 PolarHBondContact NE2-NE2 3.07Å; H624-H628 PolarHBondContact O-CD2 2.75Å; H624-H628 PolarHBondContact O-N 3.25Å; N625-H628 WeakPolarHBondContact O-CB 3.37Å; N625-H628 PolarHBondContact O-N 2.96Å
629	K	68.7	Low	62.7	Low	142 Å²	142	106 Å²	106	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-81.4	-31.6	175.1	-65.3	171.4	-174.9	168.6	0	113.3	N625 D626 M627 M631 A632	N625-K629 PolarHBondContact O-N 2.9Å; N625-K629 VanDerWaalsContact O-N 3.13Å; D626-K629 PolarHBondContact O-N 3.18Å; D626-K629 IonicContact OD1-NZ 2.7Å; M627-K629 VanDerWaalsContact C-N 3.34Å; K629-M631 PolarHBondContact O-N 3.44Å; K629-A632 PolarHBondContact O-N 3.47Å
630	G	56.3	Low	60.9	Low	47 Å²	47	106.3 Å²	106.3	49%	0.485	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-68.2	-6.1	-169	0	0	0	0	0	115.8	D626 A632	D626-G630 WeakPolarHBondContact O-CA 3.29Å; D626-G630 PolarHBondContact O-N 3.43Å; G630-A632 PolarHBondContact O-N 3.18Å
631	M	48.5	Very low	58.9	Low	186 Å²	186	108.7 Å²	108.7	92%	0.916	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-77.2	-2.7	167.1	-62.8	-167.3	-178.6	0	0	113.2	K629	K629-M631 PolarHBondContact O-N 3.44Å
632	A	51.1	Low	56.7	Low	91 Å²	91	115.2 Å²	115.2	75%	0.752	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-135.9	38.9	-173.3	0	0	0	0	0	114.7	K629 G630	K629-A632 PolarHBondContact O-N 3.47Å; G630-A632 PolarHBondContact O-N 3.18Å
633	S	37.3	Very low	54.4	Low	100 Å²	100	117.6 Å²	117.6	70%	0.699	68%	0.676	S	S	*	*			trans	-147.3	70.7	170.9	64.9	0	0	0	0	112.8
634	G	39.5	Very low	52.4	Low	82 Å²	82	125.8 Å²	125.8	85%	0.845	71%	0.708	S	S	*	*			trans	-109.4	7.1	178.8	0	0	0	0	0	115.6
635	E	39.8	Very low	50.7	Low	190 Å²	190	130.7 Å²	130.7	89%	0.888	74%	0.737	S	S	*	*	S	Bend	trans	-129.7	160.2	177.5	-69.6	-161.7	154.4	0	0	112.3
636	I	39.3	Very low	49	Very low	174 Å²	174	135.1 Å²	135.1	89%	0.892	76%	0.762	S	S	*	*			trans	-105.6	123.3	-158.2	-61.1	168.3	0	0	0	112.1
637	G	36.4	Very low	47.1	Very low	63 Å²	63	138.2 Å²	138.2	65%	0.649	78%	0.781	S	S	*	*			trans	75.4	135	139.4	0	0	0	0	0	118.7
638	P	50.5	Low	45.4	Very low	138 Å²	138	138.4 Å²	138.4	90%	0.896	79%	0.787	S	S	*	*			trans	-82.8	146.2	176.3	34	-34.6	0	0	0	112.7
639	S	33.1	Very low	43.5	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	81%	0.814	S	S	*	*			trans	-118	129.7	164.8	53.8	0	0	0	0	110.8
640	K	43.1	Very low	41.9	Very low	201 Å²	201	142.1 Å²	142.1	87%	0.874	83%	0.827	S	S	*	*			trans	-89.9	143.8	176.7	-62.2	178.4	178.7	-179.3	0	111
641	P	37.1	Very low	40.8	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	85%	0.852	S	S	*	*			trans	-100.8	124.2	131.3	24.1	-10.5	0	0	0	108
642	L	38.3	Very low	40.3	Very low	159 Å²	159	146.1 Å²	146.1	83%	0.832	85%	0.847	S	S	*	*			cis	70	110.2	42.1	-143.4	168.6	0	0	0	110.9
643	E	35.9	Very low	39.4	Very low	179 Å²	179	150.7 Å²	150.7	84%	0.836	86%	0.855	S	S	*	*			trans	-69.8	143.4	-169.3	-57.6	159.7	118.5	0	0	113.4
644	K	41.9	Very low	39.5	Very low	283 Å²	283	155.3 Å²	155.3	100%	1.23	87%	0.869	S	S	*	*			trans	-170.3	0	141	-107.2	161.4	-172.5	176.9	0	111.8

Retrieved 644 of 644 residues in 168.4 ms (Link to these results)

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