A0A087YSK1_POEFO Loading...

Zinc finger and BTB domain containing 33

AlphaFold DB , UniProt , Accession A0A087YSK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.9	Very low	29.2	Very low	202 Å²	202	82.5 Å²	82.5	100%	0.995	38%	0.382	S	S	*	.				0	139.3	0	-71.2	-177.1	173.4	0	0	109.6
2	N	24.9	Very low	28.9	Very low	101 Å²	101	88.9 Å²	88.9	54%	0.54	41%	0.408	S	S	.	.			trans	-99.9	124.6	172.5	-75.5	-15.5	0	0	0	109.2	Y4	N2-Y4 HydrophobicContact CB-CE2 4.26Å
3	Y	25.4	Very low	28.6	Very low	156 Å²	156	87.4 Å²	87.4	61%	0.612	40%	0.398	S	S	*	.			trans	-90.9	123.7	176.4	-62.2	-81.6	0	0	0	109
4	Y	29	Very low	28.3	Very low	117 Å²	117	97.5 Å²	97.5	46%	0.459	43%	0.431	S	S	.	.			trans	-105.1	128	174.6	-66.3	-82.9	0	0	0	109	N2 I87 Q89	N2-Y4 HydrophobicContact CB-CE2 4.26Å; Y4-I87 HydrophobicContact CD1-CG2 3.74Å; Y4-I87 HydrophobicContact CG-CG2 4.29Å; Y4-Q89 HydrophobicContact CD1-CB 4.2Å; Y4-Q89 HydrophobicContact CD1-CG 4.3Å; Y4-Q89 HydrophobicContact CE1-CB 4.39Å; Y4-Q89 HydrophobicContact CE1-CG 4.26Å; Y4-Q89 PolarHBondContact OH-NE2 2.78Å; Y4-Q89 VanDerWaalsContact OH-NE2 3.16Å
5	I	28.9	Very low	28.1	Very low	28 Å²	28	100.5 Å²	100.5	14%	0.144	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	177.2	-57.7	174.3	0	0	0	107.4	I7 I87 I88 F93 I118	I5-I7 HydrophobicContact CG2-CD1 4.5Å; I5-I7 HydrophobicContact CG2-CG1 4.02Å; I5-I87 WeakPolarHBondContact O-CA 3.45Å; I5-I88 PolarHBondContact N-O 3.41Å; I5-I88 PolarHBondContact O-N 3.14Å; I5-F93 HydrophobicContact CD1-CB 3.71Å; I5-F93 HydrophobicContact CD1-CD1 3.71Å; I5-F93 HydrophobicContact CD1-CD2 4.37Å; I5-F93 HydrophobicContact CD1-CE1 4.41Å; I5-F93 HydrophobicContact CD1-CG 3.67Å; I5-I118 HydrophobicContact CG2-CD1 3.61Å; I5-I118 HydrophobicContact CG2-CG1 4.39Å
6	F	29.3	Very low	28	Very low	69 Å²	69	99.9 Å²	99.9	30%	0.303	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.7	173	-69.1	-97.6	0	0	0	109.3	T85 I87 Q116 I118	F6-T85 HydrophobicContact CD1-CG2 4.1Å; F6-I87 HydrophobicContact CD1-CD1 4.22Å; F6-I87 HydrophobicContact CD1-CG1 3.95Å; F6-I87 HydrophobicContact CE1-CD1 3.65Å; F6-I87 HydrophobicContact CE1-CG1 3.9Å; F6-I87 HydrophobicContact CZ-CD1 4.24Å; F6-Q116 WeakPolarHBondContact CB-O 3.4Å; F6-Q116 HydrophobicContact CD2-CG 4.06Å; F6-Q116 HydrophobicContact CE2-CG 4.22Å; F6-I118 PolarHBondContact O-N 3.19Å
7	I	32	Very low	27.9	Very low	9 Å²	9	103.5 Å²	103.5	5%	0.046	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124	172.2	-51.5	-175	0	0	0	107.8	I5 L9 I86 I88 I135	I5-I7 HydrophobicContact CG2-CD1 4.5Å; I5-I7 HydrophobicContact CG2-CG1 4.02Å; I7-L9 HydrophobicContact CG2-CD2 4.11Å; I7-L9 HydrophobicContact CG2-CG 4.08Å; I7-I86 PolarHBondContact N-O 3.47Å; I7-I86 PolarHBondContact O-N 3.48Å; I7-I88 HydrophobicContact CD1-CD1 3.66Å; I7-I88 HydrophobicContact CD1-CG1 4.47Å; I7-I135 HydrophobicContact CD1-CD1 3.74Å; I7-I135 HydrophobicContact CD1-CG1 4.18Å
8	K	32.1	Very low	27.8	Very low	87 Å²	87	106.7 Å²	106.7	38%	0.378	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.6	173.9	-172.5	179.5	-179.6	-177.9	0	108.4	D83	K8-D83 WeakPolarHBondContact CE-OD1 3.34Å; K8-D83 WeakPolarHBondContact CE-OD2 3.34Å; K8-D83 VanDerWaalsContact NZ-CG 3.28Å; K8-D83 IonicContact NZ-OD1 3.33Å; K8-D83 PolarHBondContact NZ-OD1 3.04Å; K8-D83 IonicContact NZ-OD2 3.36Å; K8-D83 PolarHBondContact NZ-OD2 3.02Å
9	L	32.8	Very low	27.6	Very low	22 Å²	22	111.8 Å²	111.8	12%	0.115	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.2	175.5	-66.2	175.3	0	0	0	109	I7 F11 I84 I86	I7-L9 HydrophobicContact CG2-CD2 4.11Å; I7-L9 HydrophobicContact CG2-CG 4.08Å; L9-F11 HydrophobicContact CB-CD2 4.19Å; L9-F11 HydrophobicContact CB-CE2 3.61Å; L9-F11 HydrophobicContact CB-CZ 4.44Å; L9-F11 HydrophobicContact CD1-CE2 4.29Å; L9-F11 HydrophobicContact CD1-CZ 4.46Å; L9-I84 PolarHBondContact N-O 3.22Å; L9-I84 WeakPolarHBondContact O-CB 3.48Å; L9-I84 PolarHBondContact O-N 3.36Å; L9-I86 HydrophobicContact CD1-CD1 3.76Å; L9-I86 HydrophobicContact CD1-CG1 4.47Å
10	T	32.3	Very low	27.3	Very low	56 Å²	56	116.6 Å²	116.6	34%	0.344	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.4	173.2	-56.1	0	0	0	0	108.4	F81 D83	T10-F81 HydrophobicContact CG2-CB 4.44Å; T10-F81 HydrophobicContact CG2-CD1 3.85Å; T10-D83 PolarHBondContact OG1-OD1 2.99Å
11	F	27.5	Very low	27	Very low	60 Å²	60	121.6 Å²	121.6	26%	0.263	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	128.3	-176.2	-78.8	-101.4	0	0	0	111.7	L9 C82 I84 F162	L9-F11 HydrophobicContact CB-CD2 4.19Å; L9-F11 HydrophobicContact CB-CE2 3.61Å; L9-F11 HydrophobicContact CB-CZ 4.44Å; L9-F11 HydrophobicContact CD1-CE2 4.29Å; L9-F11 HydrophobicContact CD1-CZ 4.46Å; F11-C82 PolarHBondContact N-O 3.13Å; F11-I84 HydrophobicContact CD2-CB 4.38Å; F11-I84 HydrophobicContact CD2-CD1 3.45Å; F11-I84 VanDerWaalsContact CD2-CD1 3.45Å; F11-I84 HydrophobicContact CD2-CG1 3.84Å; F11-I84 HydrophobicContact CE2-CB 4.26Å; F11-I84 HydrophobicContact CE2-CD1 3.49Å; F11-I84 VanDerWaalsContact CE2-CD1 3.49Å; F11-I84 HydrophobicContact CE2-CG1 4.07Å; F11-I84 HydrophobicContact CG-CD1 4.32Å; F11-I84 HydrophobicContact CZ-CD1 4.38Å; F11-F162 HydrophobicContact CE1-CZ 4.03Å; F11-F162 HydrophobicContact CZ-CZ 4.23Å
12	F	26.3	Very low	26.9	Very low	160 Å²	160	121.9 Å²	121.9	70%	0.702	55%	0.545	S	S	*	.			trans	-92.1	119.3	169.9	-74.4	-93.1	0	0	0	110.2	W14 F81	F12-W14 PolarHBondContact O-N 3.15Å; F12-F81 HydrophobicContact CD1-CE1 4.43Å; F12-F81 AromaticContact CE1-CE1 3.7Å; F12-F81 HydrophobicContact CE1-CE1 3.7Å; F12-F81 HydrophobicContact CE1-CZ 4.43Å; F12-F81 AromaticContact CZ-CE1 3.94Å; F12-F81 HydrophobicContact CZ-CE1 3.94Å
13	Y	24.9	Very low	26.7	Very low	69 Å²	69	126.1 Å²	126.1	27%	0.271	56%	0.559	S	S	.	*			trans	-100.8	79.8	-171.9	-145.3	-95	0	0	0	113	K15 A154 G155 L158 I163	Y13-K15 PolarHBondContact O-N 2.89Å; Y13-A154 HydrophobicContact CE1-CB 3.86Å; Y13-A154 HydrophobicContact CE2-CB 4.35Å; Y13-A154 PolarHBondContact OH-O 3.14Å; Y13-G155 PolarHBondContact OH-N 3.45Å; Y13-L158 HydrophobicContact CD1-CD1 4.31Å; Y13-L158 HydrophobicContact CE1-CD1 3.4Å; Y13-L158 VanDerWaalsContact CE1-CD1 3.4Å; Y13-L158 HydrophobicContact CE1-CG 3.87Å; Y13-L158 HydrophobicContact CE2-CD1 4.45Å; Y13-L158 VanDerWaalsContact CZ-CD1 3.49Å; Y13-L158 WeakPolarHBondContact OH-CD1 3.29Å; Y13-L158 WeakPolarHBondContact OH-CG 3.48Å; Y13-I163 HydrophobicContact CE2-CD1 4.28Å
14	W	24.5	Very low	26.5	Very low	229 Å²	229	128.4 Å²	128.4	87%	0.867	57%	0.568	S	S	*	*			trans	-82.6	98.2	179.2	-158.2	-24.3	0	0	0	111.9	F12 S16	F12-W14 PolarHBondContact O-N 3.15Å; W14-S16 PolarHBondContact O-N 3.09Å
15	K	24.6	Very low	26	Very low	142 Å²	142	131.1 Å²	131.1	62%	0.617	58%	0.583	S	S	*	*			trans	-91	93.3	171.4	-177.2	177.5	-178.8	-176.4	0	111.2	Y13 L158	Y13-K15 PolarHBondContact O-N 2.89Å; K15-L158 HydrophobicContact CD-CD2 4.45Å; K15-L158 HydrophobicContact CG-CD2 4.19Å
16	S	26.6	Very low	25.7	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	62%	0.615	S	S	*	*			trans	-160.3	105	160.9	-102.6	0	0	0	0	113.4	W14	W14-S16 PolarHBondContact O-N 3.09Å
17	N	25.8	Very low	25.3	Very low	161 Å²	161	138 Å²	138	86%	0.861	63%	0.633	S	S	*	*			trans	38.8	127	157.7	-72.3	-54.4	0	0	0	122.6
18	L	27.2	Very low	24.8	Very low	162 Å²	162	146 Å²	146	85%	0.848	67%	0.667	S	S	*	*			trans	-48.9	137.6	165.1	-81.5	56.5	0	0	0	113.7
19	K	23.3	Very low	24.4	Very low	203 Å²	203	151.8 Å²	151.8	88%	0.883	69%	0.687	S	S	*	*				-160.9	90	123.2	-109.2	163.4	-173.2	171.4	0	111.5	R21	K19-R21 PolarHBondContact O-N 2.97Å
20	F	22	Very low	23.9	Very low	208 Å²	208	160.9 Å²	160.9	91%	0.912	72%	0.72	S	S	*	*			trans	-67.5	121.8	158.5	-100.5	-93.1	0	0	0	108.7
21	R	21.4	Very low	23.4	Very low	222 Å²	222	168 Å²	168	84%	0.838	75%	0.746	S	S	*	*			trans	-149.3	112.8	164.5	-158.9	170.3	-169.7	163.8	3.7	108.8	K19	K19-R21 PolarHBondContact O-N 2.97Å
22	Y	23.6	Very low	23.1	Very low	207 Å²	207	170.9 Å²	170.9	81%	0.812	76%	0.764	S	S	*	*			trans	-61	135.3	175	-86.2	-99.3	0	0	0	110.8
23	F	22.1	Very low	22.8	Very low	191 Å²	191	174.7 Å²	174.7	84%	0.838	77%	0.774	S	S	*	*			trans	-152.3	136.4	151.8	-103.6	-76.4	0	0	0	110.2
24	Y	19.7	Very low	22.7	Very low	203 Å²	203	176 Å²	176	80%	0.796	79%	0.792	S	S	*	*			trans	-76.3	145.8	163.1	-88.8	-121.9	0	0	0	109.3
25	F	19.9	Very low	22.6	Very low	175 Å²	175	170.3 Å²	170.3	77%	0.768	79%	0.787	S	S	*	*				-174	-179.7	103.4	-121.7	-95.2	0	0	0	113
26	E	21.8	Very low	22.5	Very low	175 Å²	175	169.7 Å²	169.7	82%	0.818	80%	0.799	S	S	*	*			trans	-73.9	169.5	-176.5	-51.6	166.3	108	0	0	114.4
27	G	21	Very low	22.4	Very low	65 Å²	65	171.9 Å²	171.9	67%	0.67	80%	0.803	S	S	*	*			trans	139	121.3	136.7	0	0	0	0	0	119.7
28	F	22.2	Very low	22.4	Very low	178 Å²	178	170.8 Å²	170.8	78%	0.781	79%	0.793	S	S	*	*			trans	51.6	97.6	142.3	-76.2	-93.3	0	0	0	122.6
29	R	22.2	Very low	22.4	Very low	208 Å²	208	170.3 Å²	170.3	79%	0.785	79%	0.786	S	S	*	*				49.7	105.8	105.2	-161.8	166.8	78.7	-174.8	7.4	119.4
30	W	22.1	Very low	22.6	Very low	213 Å²	213	168.4 Å²	168.4	81%	0.807	78%	0.784	S	S	*	*			trans	0.3	136	151.1	-68.8	77.6	0	0	0	120.1	L32	W30-L32 HydrophobicContact CE3-CD1 3.79Å; W30-L32 HydrophobicContact CZ3-CD1 3.77Å
31	F	22.4	Very low	22.7	Very low	206 Å²	206	163.9 Å²	163.9	90%	0.904	78%	0.778	S	S	*	*			trans	-150.1	153.4	130.3	-122.2	-81.8	0	0	0	112.2
32	L	21.7	Very low	22.8	Very low	120 Å²	120	156.7 Å²	156.7	63%	0.628	77%	0.773	S	S	*	*			trans	-95.9	150.1	175.5	-102	66.5	0	0	0	111.5	W30	W30-L32 HydrophobicContact CE3-CD1 3.79Å; W30-L32 HydrophobicContact CZ3-CD1 3.77Å
33	W	20.2	Very low	22.9	Very low	240 Å²	240	154.4 Å²	154.4	91%	0.909	77%	0.774	S	S	*	*				-149.7	166.3	123.3	-150.9	-92.5	0	0	0	111.9
34	C	21.5	Very low	23	Very low	98 Å²	98	152.6 Å²	152.6	66%	0.662	77%	0.772	S	S	*	*			trans	-75.3	160.3	-161	-57.9	0	0	0	0	117.4
35	S	22.3	Very low	23.2	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	77%	0.766	S	S	*	*			trans	-45.2	159.3	151.9	-37	0	0	0	0	114.2
36	C	22.8	Very low	23.5	Very low	129 Å²	129	146.1 Å²	146.1	87%	0.872	77%	0.772	S	S	*	*			trans	-129.7	134.7	144.2	-154.5	0	0	0	0	108.7
37	L	25.6	Very low	23.7	Very low	137 Å²	137	141.3 Å²	141.3	72%	0.717	77%	0.769	S	S	*	*			trans	-89.6	167.8	167.4	-86	76.3	0	0	0	109
38	Q	26.2	Very low	23.9	Very low	139 Å²	139	143.2 Å²	143.2	65%	0.65	77%	0.772	S	S	*	*				163.1	134	105.1	-163.7	65.5	7	0	0	112.7
39	E	26.5	Very low	24.1	Very low	151 Å²	151	143 Å²	143	71%	0.706	77%	0.774	S	S	*	*			trans	61.5	158.4	161.6	-77.8	154.7	-139	0	0	117.8
40	I	26.5	Very low	24.3	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	77%	0.773	S	S	*	*			cis	-134.9	158.6	33.2	-76.1	173.3	0	0	0	113.3
41	S	24.8	Very low	24.8	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	78%	0.778	S	S	*	*			trans	-80.5	160.2	-178.3	-38.6	0	0	0	0	115.8
42	G	23.1	Very low	25.5	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	77%	0.77	S	S	*	*			trans	169.4	107.3	158.7	0	0	0	0	0	120.4
43	L	25.7	Very low	25.9	Very low	159 Å²	159	131.4 Å²	131.4	83%	0.832	78%	0.777	S	S	*	*			trans	66.3	128.3	139.7	-70.4	164.7	0	0	0	123.7
44	L	25	Very low	26.3	Very low	154 Å²	154	128.6 Å²	128.6	81%	0.806	78%	0.779	S	S	*	*			trans	70.2	147.2	144.8	-61.7	165.3	0	0	0	120.2
45	S	24.2	Very low	26.4	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	79%	0.786	S	S	*	*			cis	-169.2	156.8	-29.6	-146.2	0	0	0	0	112.4
46	V	26.1	Very low	26.5	Very low	147 Å²	147	134.8 Å²	134.8	89%	0.891	79%	0.787	S	S	*	*			trans	61.8	126.8	163.1	-170.5	0	0	0	0	119.1
47	G	25.1	Very low	26.5	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	78%	0.783	S	S	*	*			trans	150.9	102.9	161.8	0	0	0	0	0	114
48	S	25.1	Very low	26.7	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	78%	0.78	S	S	*	*			trans	-83.7	168.8	165.7	63.3	0	0	0	0	110
49	E	27	Very low	26.7	Very low	173 Å²	173	131.3 Å²	131.3	81%	0.808	78%	0.783	S	S	*	*			cis	-159.3	177.5	21.1	-155	149.5	-99.8	0	0	112.5
50	A	26.3	Very low	27.1	Very low	93 Å²	93	130 Å²	130	77%	0.769	79%	0.785	S	S	*	*			trans	64.3	107.3	161.8	0	0	0	0	0	119.9
51	M	33.5	Very low	27.3	Very low	185 Å²	185	125.7 Å²	125.7	91%	0.911	76%	0.764	S	S	*	*			trans	-124.5	145.4	150.3	-85.9	-86.8	-168.2	0	0	107
52	P	37	Very low	28.1	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	77%	0.766	S	S	*	*				-150	167.9	105.1	38	-21.6	0	0	0	116.1
53	S	30.1	Very low	29	Very low	111 Å²	111	131 Å²	131	78%	0.776	77%	0.767	S	S	*	*			trans	71.4	92.6	159.5	65.6	0	0	0	0	119
54	L	27.7	Very low	29.7	Very low	181 Å²	181	129.4 Å²	129.4	95%	0.948	75%	0.751	S	S	*	*				-145.6	144.5	115.3	-104.6	169.7	0	0	0	108.8
55	K	24.6	Very low	30.9	Very low	187 Å²	187	125.4 Å²	125.4	81%	0.813	74%	0.736	S	S	*	*			trans	-139.3	143	-171.7	-133	179	-172	172	0	109.8
56	L	23.7	Very low	31.8	Very low	148 Å²	148	124.8 Å²	124.8	78%	0.775	74%	0.737	S	S	*	*			trans	68.2	150	177.9	-79.4	69.8	0	0	0	114.6
57	I	23.9	Very low	32.8	Very low	152 Å²	152	121.3 Å²	121.3	78%	0.779	72%	0.723	S	S	*	*			cis	-118.1	143.5	-0.6	-76.8	90.2	0	0	0	109.7
58	S	27.8	Very low	33.7	Very low	95 Å²	95	121 Å²	121	66%	0.664	71%	0.707	S	S	*	*			trans	-77.6	123.6	164.8	-179.2	0	0	0	0	110.7	T60	S58-T60 PolarHBondContact O-N 3.21Å
59	A	27.3	Very low	34.6	Very low	85 Å²	85	119.1 Å²	119.1	70%	0.702	69%	0.688	S	S	*	*			trans	-83.9	98.7	165.9	0	0	0	0	0	108.7	D61	A59-D61 VanDerWaalsContact C-N 3.28Å; A59-D61 PolarHBondContact O-N 3.04Å
60	T	34.4	Very low	35.5	Very low	123 Å²	123	117.1 Å²	117.1	76%	0.755	68%	0.676	S	S	*	*			trans	-76.4	78.4	176.6	52.8	0	0	0	0	110.8	S58	S58-T60 PolarHBondContact O-N 3.21Å
61	D	31.2	Very low	36.5	Very low	74 Å²	74	115.4 Å²	115.4	40%	0.396	66%	0.658	S	S	.	*			trans	-100.1	99.6	166.9	-163.8	-12.5	0	0	0	109.1	A59 Q63 Y64	A59-D61 VanDerWaalsContact C-N 3.28Å; A59-D61 PolarHBondContact O-N 3.04Å; D61-Q63 PolarHBondContact O-N 2.96Å; D61-Q63 VanDerWaalsContact O-N 3.08Å; D61-Y64 HydrophobicContact CB-CD2 4.46Å
62	T	41.3	Very low	36.8	Very low	136 Å²	136	110.5 Å²	110.5	83%	0.834	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	9.5	-168.2	48.1	0	0	0	0	114.3
63	Q	41.5	Very low	37.2	Very low	158 Å²	158	109.4 Å²	109.4	74%	0.738	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-7.2	-177.5	-53.9	-169	31	0	0	113.9	D61	D61-Q63 PolarHBondContact O-N 2.96Å; D61-Q63 VanDerWaalsContact O-N 3.08Å
64	Y	40.9	Very low	38.1	Very low	127 Å²	127	108.1 Å²	108.1	50%	0.498	61%	0.605	S	S	.	*	S	Bend	trans	-122.7	140.6	-176.8	-58.2	-71.6	0	0	0	112.2	D61 V68	D61-Y64 HydrophobicContact CB-CD2 4.46Å; Y64-V68 HydrophobicContact CD1-CG1 4.42Å
65	S	49.3	Very low	38.9	Very low	69 Å²	69	104 Å²	104	48%	0.483	58%	0.581	S	S	.	*			trans	-68.9	151.4	178.9	74.6	0	0	0	0	111.6	A67 V68 L69	S65-A67 PolarHBondContact O-N 3.47Å; S65-A67 VanDerWaalsContact O-N 3.11Å; S65-V68 PolarHBondContact O-N 2.66Å; S65-V68 WeakPolarHBondContact OG-CG2 3.39Å; S65-V68 PolarHBondContact OG-N 2.85Å; S65-L69 PolarHBondContact O-N 3.11Å
66	A	43.5	Very low	39.8	Very low	83 Å²	83	101.2 Å²	101.2	69%	0.686	57%	0.566	S	S	*	*	H	α-helix	trans	-57.3	-29.7	179.6	0	0	0	0	0	113	K70	A66-K70 VanDerWaalsContact O-CB 3.31Å; A66-K70 WeakPolarHBondContact O-CB 3.25Å; A66-K70 PolarHBondContact O-N 3.31Å
67	A	48	Very low	40.5	Very low	73 Å²	73	98.6 Å²	98.6	60%	0.603	56%	0.559	S	S	*	*	H	α-helix	trans	-67.5	-42.3	173.7	0	0	0	0	0	112.6	S65 K70 S71	S65-A67 PolarHBondContact O-N 3.47Å; S65-A67 VanDerWaalsContact O-N 3.11Å; A67-K70 PolarHBondContact O-N 3.37Å; A67-S71 WeakPolarHBondContact O-CB 3.5Å; A67-S71 PolarHBondContact O-N 3.37Å
68	V	43.6	Very low	41.3	Very low	68 Å²	68	96.2 Å²	96.2	41%	0.412	55%	0.548	S	S	.	.	H	α-helix	trans	-65.3	-43	174.9	170.6	0	0	0	0	110.6	Y64 S65 S71 L72	Y64-V68 HydrophobicContact CD1-CG1 4.42Å; S65-V68 PolarHBondContact O-N 2.66Å; S65-V68 WeakPolarHBondContact OG-CG2 3.39Å; S65-V68 PolarHBondContact OG-N 2.85Å; V68-S71 PolarHBondContact O-N 3.01Å; V68-L72 HydrophobicContact CG1-CD1 4.16Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 PolarHBondContact O-N 3.33Å
69	L	44.8	Very low	41.8	Very low	65 Å²	65	94.7 Å²	94.7	34%	0.34	55%	0.547	S	S	.	.	H	α-helix	trans	-66.2	-37.2	176.9	-67	174.7	0	0	0	112.7	S65 N73	S65-L69 PolarHBondContact O-N 3.11Å; L69-N73 PolarHBondContact O-N 3.35Å; L69-N73 VanDerWaalsContact O-N 3.08Å
70	K	46.1	Very low	42.1	Very low	132 Å²	132	95.5 Å²	95.5	57%	0.574	54%	0.539	S	S	*	.	H	α-helix	trans	-64.6	-47.6	172.9	-170.2	-177.4	-173.2	-101.3	0	111.2	A66 A67 L72 N73 E74	A66-K70 VanDerWaalsContact O-CB 3.31Å; A66-K70 WeakPolarHBondContact O-CB 3.25Å; A66-K70 PolarHBondContact O-N 3.31Å; A67-K70 PolarHBondContact O-N 3.37Å; K70-L72 PolarHBondContact O-N 3.28Å; K70-N73 CarbonylContact O-C 3.31Å; K70-N73 WeakPolarHBondContact O-CA 3.47Å; K70-N73 WeakPolarHBondContact O-CB 3.35Å; K70-N73 PolarHBondContact O-N 2.82Å; K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 IonicContact NZ-OE1 2.91Å; K70-E74 PolarHBondContact NZ-OE1 2.92Å; K70-E74 WeakPolarHBondContact O-CG 3.43Å; K70-E74 PolarHBondContact O-N 3.48Å
71	S	47.2	Very low	41.8	Very low	56 Å²	56	93.5 Å²	93.5	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-40.8	177.7	-167.8	0	0	0	0	111.9	A67 V68 N73 E74 Q75	A67-S71 WeakPolarHBondContact O-CB 3.5Å; A67-S71 PolarHBondContact O-N 3.37Å; V68-S71 PolarHBondContact O-N 3.01Å; S71-N73 PolarHBondContact O-N 3.36Å; S71-E74 PolarHBondContact O-N 2.97Å; S71-Q75 VanDerWaalsContact O-CG 3.32Å; S71-Q75 WeakPolarHBondContact O-CG 3.47Å; S71-Q75 PolarHBondContact O-N 3.01Å
72	L	39.7	Very low	41.9	Very low	83 Å²	83	91.3 Å²	91.3	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-58.3	-33.2	170.1	-97.1	159.9	0	0	0	113.1	V68 K70 R76	V68-L72 HydrophobicContact CG1-CD1 4.16Å; V68-L72 WeakPolarHBondContact O-CB 3.44Å; V68-L72 PolarHBondContact O-N 3.33Å; K70-L72 PolarHBondContact O-N 3.28Å; L72-R76 VanDerWaalsContact O-CB 3.27Å; L72-R76 WeakPolarHBondContact O-CB 3.3Å; L72-R76 PolarHBondContact O-N 3.36Å
73	N	45.5	Very low	41.4	Very low	92 Å²	92	87.8 Å²	87.8	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-78.3	-34.1	176.8	-157.2	56.6	0	0	0	112.6	L69 K70 S71 R76 S77	L69-N73 PolarHBondContact O-N 3.35Å; L69-N73 VanDerWaalsContact O-N 3.08Å; K70-N73 CarbonylContact O-C 3.31Å; K70-N73 WeakPolarHBondContact O-CA 3.47Å; K70-N73 WeakPolarHBondContact O-CB 3.35Å; K70-N73 PolarHBondContact O-N 2.82Å; S71-N73 PolarHBondContact O-N 3.36Å; N73-R76 WeakPolarHBondContact O-CB 3.38Å; N73-R76 PolarHBondContact O-N 3.04Å; N73-R76 PolarHBondContact OD1-NH1 2.96Å; N73-S77 PolarHBondContact O-N 3.12Å; N73-S77 PolarHBondContact O-OG 3.45Å
74	E	47.2	Very low	40.9	Very low	84 Å²	84	80.7 Å²	80.7	39%	0.393	45%	0.454	S	S	.	.	H	α-helix	trans	-70.1	-38.2	173.5	-70.1	162.9	170.7	0	0	111.3	K70 S71 R76 S77 N78	K70-E74 WeakPolarHBondContact CE-OE1 3.47Å; K70-E74 IonicContact NZ-OE1 2.91Å; K70-E74 PolarHBondContact NZ-OE1 2.92Å; K70-E74 WeakPolarHBondContact O-CG 3.43Å; K70-E74 PolarHBondContact O-N 3.48Å; S71-E74 PolarHBondContact O-N 2.97Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-S77 WeakPolarHBondContact CA-OG 3.21Å; E74-S77 PolarHBondContact O-N 3.19Å; E74-S77 PolarHBondContact O-OG 2.93Å; E74-N78 VanDerWaalsContact O-CG 3.27Å; E74-N78 PolarHBondContact O-ND2 3.04Å; E74-N78 PolarHBondContact O-OD1 3.07Å
75	Q	46.3	Very low	40.5	Very low	94 Å²	94	76.9 Å²	76.9	44%	0.439	44%	0.444	S	S	.	.	H	α-helix	trans	-68.9	-30.7	170.7	-64.8	-59.8	-39.1	0	0	112.4	S71 S77 N78	S71-Q75 VanDerWaalsContact O-CG 3.32Å; S71-Q75 WeakPolarHBondContact O-CG 3.47Å; S71-Q75 PolarHBondContact O-N 3.01Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; Q75-N78 PolarHBondContact O-N 2.78Å; Q75-N78 VanDerWaalsContact O-N 3.13Å
76	R	41.7	Very low	39.7	Very low	129 Å²	129	74.5 Å²	74.5	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-64.8	-34.9	173.5	174.4	-176.3	-66	121.4	4	112.4	L72 N73 E74 N78 F81	L72-R76 VanDerWaalsContact O-CB 3.27Å; L72-R76 WeakPolarHBondContact O-CB 3.3Å; L72-R76 PolarHBondContact O-N 3.36Å; N73-R76 WeakPolarHBondContact O-CB 3.38Å; N73-R76 PolarHBondContact O-N 3.04Å; N73-R76 PolarHBondContact OD1-NH1 2.96Å; E74-R76 VanDerWaalsContact C-N 3.33Å; R76-N78 VanDerWaalsContact C-N 3.26Å; R76-N78 PolarHBondContact O-N 3.48Å; R76-F81 HydrophobicContact CB-CE2 4.23Å; R76-F81 HydrophobicContact CB-CZ 4.35Å; R76-F81 HydrophobicContact CG-CE2 3.83Å; R76-F81 HydrophobicContact CG-CZ 4.01Å
77	S	40.2	Very low	39.2	Very low	92 Å²	92	72.1 Å²	72.1	64%	0.643	40%	0.4	S	S	*	.	H	α-helix	trans	-71.2	-17.1	171.9	34	0	0	0	0	114.2	N73 E74 Q75 G79	N73-S77 PolarHBondContact O-N 3.12Å; N73-S77 PolarHBondContact O-OG 3.45Å; E74-S77 WeakPolarHBondContact CA-OG 3.21Å; E74-S77 PolarHBondContact O-N 3.19Å; E74-S77 PolarHBondContact O-OG 2.93Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; S77-G79 VanDerWaalsContact C-N 3.34Å; S77-G79 PolarHBondContact O-N 3.18Å
78	N	40.5	Very low	38.6	Very low	103 Å²	103	69.2 Å²	69.2	55%	0.551	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	19.2	-175.8	-64.3	-12.9	0	0	0	114.1	E74 Q75 R76 L80	E74-N78 VanDerWaalsContact O-CG 3.27Å; E74-N78 PolarHBondContact O-ND2 3.04Å; E74-N78 PolarHBondContact O-OD1 3.07Å; Q75-N78 PolarHBondContact O-N 2.78Å; Q75-N78 VanDerWaalsContact O-N 3.13Å; R76-N78 VanDerWaalsContact C-N 3.26Å; R76-N78 PolarHBondContact O-N 3.48Å; N78-L80 PolarHBondContact O-N 3.46Å
79	G	36.7	Very low	38.1	Very low	62 Å²	62	69.5 Å²	69.5	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	12.3	164.4	0	0	0	0	0	117.6	S77 F81	S77-G79 VanDerWaalsContact C-N 3.34Å; S77-G79 PolarHBondContact O-N 3.18Å; G79-F81 PolarHBondContact O-N 3.38Å
80	L	34.4	Very low	37.8	Very low	102 Å²	102	68.8 Å²	68.8	53%	0.534	37%	0.368	S	S	.	.			trans	-73.1	32.5	-175.1	-83	165.3	0	0	0	116	N78	N78-L80 PolarHBondContact O-N 3.46Å
81	F	29.1	Very low	37.6	Very low	82 Å²	82	69.9 Å²	69.9	36%	0.36	37%	0.373	S	S	.	.			trans	-113.5	100.3	179.4	-63.2	-79.4	0	0	0	111.9	T10 F12 R76 G79 D83	T10-F81 HydrophobicContact CG2-CB 4.44Å; T10-F81 HydrophobicContact CG2-CD1 3.85Å; F12-F81 HydrophobicContact CD1-CE1 4.43Å; F12-F81 AromaticContact CE1-CE1 3.7Å; F12-F81 HydrophobicContact CE1-CE1 3.7Å; F12-F81 HydrophobicContact CE1-CZ 4.43Å; F12-F81 AromaticContact CZ-CE1 3.94Å; F12-F81 HydrophobicContact CZ-CE1 3.94Å; R76-F81 HydrophobicContact CB-CE2 4.23Å; R76-F81 HydrophobicContact CB-CZ 4.35Å; R76-F81 HydrophobicContact CG-CE2 3.83Å; R76-F81 HydrophobicContact CG-CZ 4.01Å; G79-F81 PolarHBondContact O-N 3.38Å; F81-D83 PolarHBondContact O-N 3.36Å
82	C	32.5	Very low	37.2	Very low	27 Å²	27	74.4 Å²	74.4	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	106.9	167.5	-73.2	0	0	0	0	110.1	F11 I84 L151	F11-C82 PolarHBondContact N-O 3.13Å; C82-I84 PolarHBondContact O-N 3.18Å; C82-L151 HydrophobicContact CB-CD1 4.47Å
83	D	30.4	Very low	37.4	Very low	63 Å²	63	73 Å²	73	34%	0.337	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	94.4	172.7	-92.1	-13.7	0	0	0	110.8	K8 T10 F81	K8-D83 WeakPolarHBondContact CE-OD1 3.34Å; K8-D83 WeakPolarHBondContact CE-OD2 3.34Å; K8-D83 VanDerWaalsContact NZ-CG 3.28Å; K8-D83 IonicContact NZ-OD1 3.33Å; K8-D83 PolarHBondContact NZ-OD1 3.04Å; K8-D83 IonicContact NZ-OD2 3.36Å; K8-D83 PolarHBondContact NZ-OD2 3.02Å; T10-D83 PolarHBondContact OG1-OD1 2.99Å; F81-D83 PolarHBondContact O-N 3.36Å
84	I	30.5	Very low	37.3	Very low	9 Å²	9	78.9 Å²	78.9	5%	0.046	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.6	178.1	-48.5	-170.2	0	0	0	109.4	L9 F11 C82 I86 V143 L151	L9-I84 PolarHBondContact N-O 3.22Å; L9-I84 WeakPolarHBondContact O-CB 3.48Å; L9-I84 PolarHBondContact O-N 3.36Å; F11-I84 HydrophobicContact CD2-CB 4.38Å; F11-I84 HydrophobicContact CD2-CD1 3.45Å; F11-I84 VanDerWaalsContact CD2-CD1 3.45Å; F11-I84 HydrophobicContact CD2-CG1 3.84Å; F11-I84 HydrophobicContact CE2-CB 4.26Å; F11-I84 HydrophobicContact CE2-CD1 3.49Å; F11-I84 VanDerWaalsContact CE2-CD1 3.49Å; F11-I84 HydrophobicContact CE2-CG1 4.07Å; F11-I84 HydrophobicContact CG-CD1 4.32Å; F11-I84 HydrophobicContact CZ-CD1 4.38Å; C82-I84 PolarHBondContact O-N 3.18Å; I84-I86 HydrophobicContact CG2-CG1 4.09Å; I84-V143 HydrophobicContact CG2-CG1 4.09Å; I84-L151 HydrophobicContact CD1-CD2 3.34Å; I84-L151 HydrophobicContact CG1-CD2 4.2Å
85	T	33.4	Very low	36.7	Very low	47 Å²	47	77.8 Å²	77.8	29%	0.288	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.6	170.3	-55.4	0	0	0	0	109.8	F6 I87 R144	F6-T85 HydrophobicContact CD1-CG2 4.1Å; T85-I87 HydrophobicContact CG2-CG1 4.5Å; T85-R144 PolarHBondContact N-O 3.44Å
86	I	32.9	Very low	36.4	Very low	19 Å²	19	77.4 Å²	77.4	10%	0.097	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.2	172	-56.2	-172	0	0	0	108.9	I7 L9 I84 I88 I140	I7-I86 PolarHBondContact N-O 3.47Å; I7-I86 PolarHBondContact O-N 3.48Å; L9-I86 HydrophobicContact CD1-CD1 3.76Å; L9-I86 HydrophobicContact CD1-CG1 4.47Å; I84-I86 HydrophobicContact CG2-CG1 4.09Å; I86-I88 HydrophobicContact CG2-CD1 4.39Å; I86-I88 HydrophobicContact CG2-CG1 3.92Å; I86-I140 HydrophobicContact CG2-CG1 4.24Å; I86-I140 HydrophobicContact CG2-CG2 4.15Å
87	I	31.9	Very low	36.5	Very low	32 Å²	32	75.4 Å²	75.4	16%	0.164	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.6	175.2	-54.8	178.1	0	0	0	109	Y4 I5 F6 T85	Y4-I87 HydrophobicContact CD1-CG2 3.74Å; Y4-I87 HydrophobicContact CG-CG2 4.29Å; I5-I87 WeakPolarHBondContact O-CA 3.45Å; F6-I87 HydrophobicContact CD1-CD1 4.22Å; F6-I87 HydrophobicContact CD1-CG1 3.95Å; F6-I87 HydrophobicContact CE1-CD1 3.65Å; F6-I87 HydrophobicContact CE1-CG1 3.9Å; F6-I87 HydrophobicContact CZ-CD1 4.24Å; T85-I87 HydrophobicContact CG2-CG1 4.5Å
88	I	36.3	Very low	36.4	Very low	12 Å²	12	75.7 Å²	75.7	6%	0.062	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.7	179.8	-52	-177.3	0	0	0	109.7	I5 I7 I86 I135	I5-I88 PolarHBondContact N-O 3.41Å; I5-I88 PolarHBondContact O-N 3.14Å; I7-I88 HydrophobicContact CD1-CD1 3.66Å; I7-I88 HydrophobicContact CD1-CG1 4.47Å; I86-I88 HydrophobicContact CG2-CD1 4.39Å; I86-I88 HydrophobicContact CG2-CG1 3.92Å; I88-I135 HydrophobicContact CD1-CB 4.2Å; I88-I135 HydrophobicContact CD1-CG1 3.77Å; I88-I135 HydrophobicContact CD1-CG2 3.81Å
89	Q	33.3	Very low	36.3	Very low	75 Å²	75	75.2 Å²	75.2	35%	0.35	38%	0.384	S	S	.	.			trans	-128.6	80.9	-177.6	-172.4	-176.3	66.5	0	0	110.7	Y4 I141	Y4-Q89 HydrophobicContact CD1-CB 4.2Å; Y4-Q89 HydrophobicContact CD1-CG 4.3Å; Y4-Q89 HydrophobicContact CE1-CB 4.39Å; Y4-Q89 HydrophobicContact CE1-CG 4.26Å; Y4-Q89 PolarHBondContact OH-NE2 2.78Å; Y4-Q89 VanDerWaalsContact OH-NE2 3.16Å; Q89-I141 HydrophobicContact CB-CD1 3.99Å
90	D	38.9	Very low	36.4	Very low	49 Å²	49	74 Å²	74	26%	0.262	36%	0.363	S	S	.	.			trans	-133.2	138.4	169.7	-166.7	-5.6	0	0	0	111.5	K92	D90-K92 PolarHBondContact OD1-N 3.39Å
91	K	40.3	Very low	36.8	Very low	156 Å²	156	70.7 Å²	70.7	68%	0.678	35%	0.348	S	S	*	.	S	Bend	trans	-77.3	-24.8	174.1	-62.5	173.2	-176.5	170.7	0	112	F93	K91-F93 VanDerWaalsContact C-N 3.31Å; K91-F93 PolarHBondContact O-N 2.85Å
92	K	39.1	Very low	36.9	Very low	150 Å²	150	70.9 Å²	70.9	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.4	-176.1	-66.8	179.4	177	-179.9	0	114.1	D90 R94 A95	D90-K92 PolarHBondContact OD1-N 3.39Å; K92-R94 PolarHBondContact O-N 3.46Å; K92-A95 PolarHBondContact O-N 3.13Å
93	F	45	Very low	36.9	Very low	53 Å²	53	73.4 Å²	73.4	23%	0.232	38%	0.382	C	S	.	.	H	α-helix	trans	-54.1	-27.2	179.7	-162	-101.3	0	0	0	113.6	I5 K91 A95 H96 K97 I118 Y134	I5-F93 HydrophobicContact CD1-CB 3.71Å; I5-F93 HydrophobicContact CD1-CD1 3.71Å; I5-F93 HydrophobicContact CD1-CD2 4.37Å; I5-F93 HydrophobicContact CD1-CE1 4.41Å; I5-F93 HydrophobicContact CD1-CG 3.67Å; K91-F93 VanDerWaalsContact C-N 3.31Å; K91-F93 PolarHBondContact O-N 2.85Å; F93-A95 PolarHBondContact O-N 3.3Å; F93-H96 PolarHBondContact O-N 3.42Å; F93-K97 PolarHBondContact O-N 3.4Å; F93-K97 VanDerWaalsContact O-N 3.14Å; F93-I118 HydrophobicContact CE1-CD1 3.91Å; F93-I118 HydrophobicContact CZ-CD1 4.03Å; F93-Y134 AromaticContact CD2-CE1 3.96Å; F93-Y134 HydrophobicContact CD2-CE1 3.96Å
94	R	41.9	Very low	37.2	Very low	216 Å²	216	72 Å²	72	82%	0.815	38%	0.377	S	S	*	.	H	α-helix	trans	-60	-29.5	176.6	-173.1	175.4	176.9	-174.6	-1.7	113.5	K92	K92-R94 PolarHBondContact O-N 3.46Å
95	A	35.4	Very low	37.5	Very low	61 Å²	61	77.1 Å²	77.1	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-76.6	-44.6	177.5	0	0	0	0	0	112	K92 F93 K97 T98 I99	K92-A95 PolarHBondContact O-N 3.13Å; F93-A95 PolarHBondContact O-N 3.3Å; A95-K97 VanDerWaalsContact C-N 3.29Å; A95-K97 PolarHBondContact O-N 2.73Å; A95-T98 WeakPolarHBondContact O-CB 3.49Å; A95-T98 PolarHBondContact O-N 3.19Å; A95-T98 VanDerWaalsContact O-N 3.1Å; A95-T98 PolarHBondContact O-OG1 3.38Å; A95-I99 PolarHBondContact O-N 2.85Å
96	H	40.8	Very low	37.5	Very low	87 Å²	87	84.2 Å²	84.2	40%	0.403	43%	0.432	S	S	.	.	H	α-helix	trans	-68.6	-24	179	-95.3	-101.9	0	0	0	113.7	F93 T98 I99 L100	F93-H96 PolarHBondContact O-N 3.42Å; H96-T98 PolarHBondContact O-N 3.46Å; H96-I99 PolarHBondContact O-N 2.68Å; H96-L100 WeakPolarHBondContact O-CB 3.32Å; H96-L100 WeakPolarHBondContact O-CG 3.41Å; H96-L100 PolarHBondContact O-N 3.4Å
97	K	42.5	Very low	37.7	Very low	86 Å²	86	84.2 Å²	84.2	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-53.5	-41.8	167.8	178.6	171.3	179.8	167.9	0	112	F93 A95 S101 F111	F93-K97 PolarHBondContact O-N 3.4Å; F93-K97 VanDerWaalsContact O-N 3.14Å; A95-K97 VanDerWaalsContact C-N 3.29Å; A95-K97 PolarHBondContact O-N 2.73Å; K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-N 3.11Å; K97-F111 HydrophobicContact CD-CD1 3.95Å; K97-F111 HydrophobicContact CD-CE1 4.3Å; K97-F111 HydrophobicContact CD-CG 4.42Å; K97-F111 VanDerWaalsContact CE-CD1 3.49Å; K97-F111 HydrophobicContact CG-CD1 3.94Å; K97-F111 HydrophobicContact CG-CE1 3.95Å; K97-F111 HydrophobicContact CG-CG 4.26Å; K97-F111 HydrophobicContact CG-CZ 4.26Å; K97-F111 PolarHBondContact NZ-O 2.98Å
98	T	39.2	Very low	37.9	Very low	99 Å²	99	88.7 Å²	88.7	61%	0.607	45%	0.452	S	S	*	.	H	α-helix	trans	-69.6	-42.6	179.8	-40.8	0	0	0	0	111.3	A95 H96 S101 A102	A95-T98 WeakPolarHBondContact O-CB 3.49Å; A95-T98 PolarHBondContact O-N 3.19Å; A95-T98 VanDerWaalsContact O-N 3.1Å; A95-T98 PolarHBondContact O-OG1 3.38Å; H96-T98 PolarHBondContact O-N 3.46Å; T98-S101 PolarHBondContact O-N 2.94Å; T98-A102 PolarHBondContact O-N 3.16Å; T98-A102 VanDerWaalsContact O-N 3.13Å
99	I	37.7	Very low	38	Very low	93 Å²	93	97.1 Å²	97.1	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-50.1	179.4	-62.3	170.7	0	0	0	110.8	A95 H96 S101 A102 S103	A95-I99 PolarHBondContact O-N 2.85Å; H96-I99 PolarHBondContact O-N 2.68Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.93Å; I99-A102 PolarHBondContact O-N 3.29Å; I99-S103 PolarHBondContact O-N 3.33Å; I99-S103 PolarHBondContact O-OG 2.67Å
100	L	38.1	Very low	38.3	Very low	37 Å²	37	97 Å²	97	19%	0.194	49%	0.492	C	S	.	.	H	α-helix	trans	-62.2	-38.7	178.7	-71	168.7	0	0	0	112	H96 A102 S103 F107 F111	H96-L100 WeakPolarHBondContact O-CB 3.32Å; H96-L100 WeakPolarHBondContact O-CG 3.41Å; H96-L100 PolarHBondContact O-N 3.4Å; L100-A102 PolarHBondContact O-N 3Å; L100-S103 WeakPolarHBondContact CA-OG 3.47Å; L100-S103 PolarHBondContact O-N 2.81Å; L100-S103 PolarHBondContact O-OG 3.49Å; L100-S103 VanDerWaalsContact O-OG 3.12Å; L100-F107 VanDerWaalsContact O-CD2 3.28Å; L100-F107 WeakPolarHBondContact O-CD2 2.93Å; L100-F111 HydrophobicContact CB-CE2 4.45Å
101	S	42.7	Very low	38.3	Very low	31 Å²	31	97.3 Å²	97.3	22%	0.217	49%	0.491	C	S	.	.	H	α-helix	trans	-70.9	-13.6	174.4	-173.5	0	0	0	0	114.2	K97 T98 I99 H108	K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-N 3.11Å; T98-S101 PolarHBondContact O-N 2.94Å; I99-S101 VanDerWaalsContact C-N 3.32Å; I99-S101 PolarHBondContact O-N 2.93Å; S101-H108 PolarHBondContact O-CE1 3.04Å; S101-H108 VanDerWaalsContact O-CE1 3.23Å; S101-H108 PolarHBondContact OG-ND1 2.89Å
102	A	32.7	Very low	37.7	Very low	86 Å²	86	93.9 Å²	93.9	71%	0.711	49%	0.492	S	S	*	.	H	α-helix	trans	-94.6	-31.2	173.8	0	0	0	0	0	112	T98 I99 L100 S104	T98-A102 PolarHBondContact O-N 3.16Å; T98-A102 VanDerWaalsContact O-N 3.13Å; I99-A102 PolarHBondContact O-N 3.29Å; L100-A102 PolarHBondContact O-N 3Å; A102-S104 PolarHBondContact O-N 3.03Å
103	S	31.7	Very low	37.2	Very low	80 Å²	80	93.2 Å²	93.2	56%	0.559	50%	0.5	S	S	*	.	H	α-helix	trans	-78.3	-11.2	-174.1	59	0	0	0	0	115.7	I99 L100	I99-S103 PolarHBondContact O-N 3.33Å; I99-S103 PolarHBondContact O-OG 2.67Å; L100-S103 WeakPolarHBondContact CA-OG 3.47Å; L100-S103 PolarHBondContact O-N 2.81Å; L100-S103 PolarHBondContact O-OG 3.49Å; L100-S103 VanDerWaalsContact O-OG 3.12Å
104	S	36.4	Very low	36.4	Very low	33 Å²	33	94.8 Å²	94.8	23%	0.231	52%	0.523	C	S	.	.			trans	-161.1	135.2	173.6	154.6	0	0	0	0	112.5	A102 Y106 F107	A102-S104 PolarHBondContact O-N 3.03Å; S104-Y106 PolarHBondContact O-N 3.21Å; S104-Y106 PolarHBondContact OG-N 2.82Å; S104-F107 PolarHBondContact O-N 3.38Å; S104-F107 VanDerWaalsContact O-N 3.16Å
105	T	36.8	Very low	36	Very low	117 Å²	117	88.4 Å²	88.4	72%	0.718	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.9	178.7	47.9	0	0	0	0	113.6	F107	T105-F107 VanDerWaalsContact C-N 3.3Å; T105-F107 PolarHBondContact O-N 3.29Å
106	Y	34.1	Very low	36.1	Very low	197 Å²	197	91.8 Å²	91.8	77%	0.773	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-66.4	-27.9	174.8	-94.2	-100.4	0	0	0	112.9	S104 H108	S104-Y106 PolarHBondContact O-N 3.21Å; S104-Y106 PolarHBondContact OG-N 2.82Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; Y106-H108 PolarHBondContact O-N 3.33Å
107	F	36.7	Very low	35.7	Very low	19 Å²	19	92.3 Å²	92.3	8%	0.083	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-76.9	-12.7	-175.6	-68.6	-60.3	0	0	0	114.4	L100 S104 T105 Q109 L110 F111 I127	L100-F107 VanDerWaalsContact O-CD2 3.28Å; L100-F107 WeakPolarHBondContact O-CD2 2.93Å; S104-F107 PolarHBondContact O-N 3.38Å; S104-F107 VanDerWaalsContact O-N 3.16Å; T105-F107 VanDerWaalsContact C-N 3.3Å; T105-F107 PolarHBondContact O-N 3.29Å; F107-Q109 PolarHBondContact O-N 2.91Å; F107-Q109 VanDerWaalsContact O-N 3.11Å; F107-L110 HydrophobicContact CD1-CD1 3.98Å; F107-L110 HydrophobicContact CE1-CD1 4.47Å; F107-L110 PolarHBondContact O-N 3.2Å; F107-F111 HydrophobicContact CB-CE2 4.2Å; F107-F111 WeakPolarHBondContact O-CD2 2.99Å; F107-I127 HydrophobicContact CE2-CD1 4.37Å; F107-I127 HydrophobicContact CZ-CD1 4.31Å; F107-I127 HydrophobicContact CZ-CG2 4.24Å
108	H	35.5	Very low	35.5	Very low	126 Å²	126	90.2 Å²	90.2	58%	0.583	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.5	-177.7	-76.9	-46.6	0	0	0	114.3	S101 Y106	S101-H108 PolarHBondContact O-CE1 3.04Å; S101-H108 VanDerWaalsContact O-CE1 3.23Å; S101-H108 PolarHBondContact OG-ND1 2.89Å; Y106-H108 VanDerWaalsContact C-N 3.31Å; Y106-H108 PolarHBondContact O-N 3.33Å
109	Q	40.2	Very low	35.3	Very low	188 Å²	188	91.2 Å²	91.2	88%	0.879	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-94.6	-7.7	-176.7	-154.2	161.5	0.1	0	0	114	F107	F107-Q109 PolarHBondContact O-N 2.91Å; F107-Q109 VanDerWaalsContact O-N 3.11Å
110	L	39.7	Very low	35.3	Very low	73 Å²	73	89.5 Å²	89.5	38%	0.382	52%	0.521	S	S	.	.	S	Bend	trans	-90.6	-1.7	-178.7	-85	162.3	0	0	0	114.5	F107 E119	F107-L110 HydrophobicContact CD1-CD1 3.98Å; F107-L110 HydrophobicContact CE1-CD1 4.47Å; F107-L110 PolarHBondContact O-N 3.2Å; L110-E119 VanDerWaalsContact CD2-O 3.27Å; L110-E119 WeakPolarHBondContact CD2-O 3.36Å
111	F	38.3	Very low	35.2	Very low	56 Å²	56	92.5 Å²	92.5	25%	0.246	54%	0.537	C	S	.	.	S	Bend	trans	-116.4	18.4	-162.1	-82.4	-49.2	0	0	0	117.3	K97 L100 F107	K97-F111 HydrophobicContact CD-CD1 3.95Å; K97-F111 HydrophobicContact CD-CE1 4.3Å; K97-F111 HydrophobicContact CD-CG 4.42Å; K97-F111 VanDerWaalsContact CE-CD1 3.49Å; K97-F111 HydrophobicContact CG-CD1 3.94Å; K97-F111 HydrophobicContact CG-CE1 3.95Å; K97-F111 HydrophobicContact CG-CG 4.26Å; K97-F111 HydrophobicContact CG-CZ 4.26Å; K97-F111 PolarHBondContact NZ-O 2.98Å; L100-F111 HydrophobicContact CB-CE2 4.45Å; F107-F111 HydrophobicContact CB-CE2 4.2Å; F107-F111 WeakPolarHBondContact O-CD2 2.99Å
112	A	27.4	Very low	34.8	Very low	83 Å²	83	100.7 Å²	100.7	69%	0.686	57%	0.569	S	S	*	*			trans	-141.6	145.2	159.6	0	0	0	0	0	108.3
113	V	29	Very low	35	Very low	136 Å²	136	98.2 Å²	98.2	82%	0.824	54%	0.543	S	S	*	.	S	Bend	cis	-135.5	153.9	31.4	178	0	0	0	0	111.6	G115	V113-G115 PolarHBondContact O-N 3.29Å
114	A	26.7	Very low	35.1	Very low	87 Å²	87	101.3 Å²	101.3	72%	0.719	54%	0.543	S	S	*	.	S	Bend	trans	53.4	44.4	162.2	0	0	0	0	0	118.7	Q116	A114-Q116 VanDerWaalsContact C-N 3.31Å; A114-Q116 PolarHBondContact O-N 3.08Å
115	G	34.5	Very low	35	Very low	82 Å²	82	104.4 Å²	104.4	85%	0.845	56%	0.562	S	S	*	*	S	Bend	trans	61.7	12.3	138.3	0	0	0	0	0	120.5	V113	V113-G115 PolarHBondContact O-N 3.29Å
116	Q	37	Very low	35.1	Very low	132 Å²	132	102.8 Å²	102.8	62%	0.617	55%	0.546	S	S	*	.	S	Bend	trans	-137	-1.7	-168.7	-146.6	166.1	1.4	0	0	116.6	F6 A114	F6-Q116 WeakPolarHBondContact CB-O 3.4Å; F6-Q116 HydrophobicContact CD2-CG 4.06Å; F6-Q116 HydrophobicContact CE2-CG 4.22Å; A114-Q116 VanDerWaalsContact C-N 3.31Å; A114-Q116 PolarHBondContact O-N 3.08Å
117	V	33.3	Very low	35.3	Very low	98 Å²	98	95 Å²	95	59%	0.594	52%	0.517	S	S	*	.			trans	-144	141.5	167.6	-172.9	0	0	0	0	109.1	E119	V117-E119 HydrophobicContact CG1-CG 3.95Å
118	I	38.1	Very low	35.7	Very low	42 Å²	42	98 Å²	98	22%	0.215	53%	0.531	C	S	.	.	B	Isolated β-bridge	trans	-117.1	112.4	164.7	-53.8	-178.9	0	0	0	108.2	I5 F6 F93 L120	I5-I118 HydrophobicContact CG2-CD1 3.61Å; I5-I118 HydrophobicContact CG2-CG1 4.39Å; F6-I118 PolarHBondContact O-N 3.19Å; F93-I118 HydrophobicContact CE1-CD1 3.91Å; F93-I118 HydrophobicContact CZ-CD1 4.03Å; I118-L120 HydrophobicContact CG2-CD2 3.45Å; I118-L120 VanDerWaalsContact CG2-CD2 3.45Å; I118-L120 HydrophobicContact CG2-CG 3.96Å
119	E	35.3	Very low	36	Very low	119 Å²	119	97.3 Å²	97.3	56%	0.556	53%	0.528	S	S	*	.			trans	-99.9	119.3	170.3	-64.6	-170.2	159	0	0	109.5	L110 V117 N121	L110-E119 VanDerWaalsContact CD2-O 3.27Å; L110-E119 WeakPolarHBondContact CD2-O 3.36Å; V117-E119 HydrophobicContact CG1-CG 3.95Å; E119-N121 PolarHBondContact O-N 3.45Å
120	L	38.1	Very low	36.1	Very low	58 Å²	58	94.8 Å²	94.8	30%	0.304	52%	0.516	S	S	.	.			trans	-101.1	71.9	-173	-64.3	-178.3	0	0	0	111.6	I118 I123 I131	I118-L120 HydrophobicContact CG2-CD2 3.45Å; I118-L120 VanDerWaalsContact CG2-CD2 3.45Å; I118-L120 HydrophobicContact CG2-CG 3.96Å; L120-I123 HydrophobicContact CB-CD1 3.72Å; L120-I123 HydrophobicContact CB-CG1 4.46Å; L120-I123 HydrophobicContact CD1-CD1 4.27Å; L120-I123 HydrophobicContact CD2-CD1 3.76Å; L120-I123 HydrophobicContact CG-CD1 4.11Å; L120-I131 HydrophobicContact CD1-CG2 4.36Å
121	N	35	Very low	36.5	Very low	99 Å²	99	92.8 Å²	92.8	53%	0.529	51%	0.505	S	S	.	.			trans	-83.6	138.3	177.3	-70.1	-53	0	0	0	112	E119	E119-N121 PolarHBondContact O-N 3.45Å
122	F	34.2	Very low	36.8	Very low	204 Å²	204	91.7 Å²	91.7	90%	0.895	50%	0.502	S	S	*	.	S	Bend	trans	53.4	57.4	175.3	-58.7	-78.6	0	0	0	115.9
123	I	36.4	Very low	37.6	Very low	33 Å²	33	92 Å²	92	17%	0.169	49%	0.492	C	S	.	.			trans	-98.7	133.1	172.2	-55.8	-167.2	0	0	0	110.2	L120 I127 F128 I131	L120-I123 HydrophobicContact CB-CD1 3.72Å; L120-I123 HydrophobicContact CB-CG1 4.46Å; L120-I123 HydrophobicContact CD1-CD1 4.27Å; L120-I123 HydrophobicContact CD2-CD1 3.76Å; L120-I123 HydrophobicContact CG-CD1 4.11Å; I123-I127 HydrophobicContact CG2-CB 3.8Å; I123-I127 HydrophobicContact CG2-CG2 3.89Å; I123-F128 HydrophobicContact CG2-CB 3.95Å; I123-I131 HydrophobicContact CD1-CD1 4.04Å
124	R	33.7	Very low	38.4	Very low	146 Å²	146	88.8 Å²	88.8	55%	0.551	47%	0.465	S	S	*	.			trans	-66.5	141.3	173	-49.8	-164.6	-41.8	-109.5	-5.9	110.4	E126 I127 F128	R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 WeakPolarHBondContact CB-OE1 3.08Å; R124-E126 WeakPolarHBondContact CB-OE2 3.4Å; R124-E126 IonicContact CZ-OE2 3.28Å; R124-E126 VanDerWaalsContact CZ-OE2 3.24Å; R124-E126 IonicContact NE-OE2 2.59Å; R124-E126 PolarHBondContact NE-OE2 3.44Å; R124-E126 IonicContact NH2-OE2 3.93Å; R124-E126 PolarHBondContact NH2-OE2 2.88Å; R124-E126 PolarHBondContact O-N 2.87Å; R124-E126 VanDerWaalsContact O-N 3.13Å; R124-I127 PolarHBondContact O-N 2.96Å; R124-F128 PolarHBondContact O-N 3.46Å; R124-F128 VanDerWaalsContact O-N 3.13Å
125	P	35.3	Very low	39.3	Very low	98 Å²	98	85 Å²	85	64%	0.636	43%	0.433	S	S	*	.	H	α-helix	trans	-56.2	-36.4	-169.7	18.9	-30.6	0	0	0	113.9	I127 F128 E129	P125-I127 VanDerWaalsContact C-N 3.3Å; P125-I127 PolarHBondContact O-N 3.38Å; P125-F128 PolarHBondContact O-N 2.94Å; P125-E129 PolarHBondContact O-N 2.82Å
126	E	38.6	Very low	39.8	Very low	82 Å²	82	86.8 Å²	86.8	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-37.8	178.5	-26	76	-112	0	0	112.9	R124 H130	R124-E126 VanDerWaalsContact C-N 3.27Å; R124-E126 WeakPolarHBondContact CB-OE1 3.08Å; R124-E126 WeakPolarHBondContact CB-OE2 3.4Å; R124-E126 IonicContact CZ-OE2 3.28Å; R124-E126 VanDerWaalsContact CZ-OE2 3.24Å; R124-E126 IonicContact NE-OE2 2.59Å; R124-E126 PolarHBondContact NE-OE2 3.44Å; R124-E126 IonicContact NH2-OE2 3.93Å; R124-E126 PolarHBondContact NH2-OE2 2.88Å; R124-E126 PolarHBondContact O-N 2.87Å; R124-E126 VanDerWaalsContact O-N 3.13Å; E126-H130 PolarHBondContact O-N 2.97Å; E126-H130 PolarHBondContact O-ND1 2.99Å
127	I	39.2	Very low	40	Very low	33 Å²	33	84.9 Å²	84.9	17%	0.169	42%	0.417	C	S	.	.	H	α-helix	trans	-77.2	-37	179	-58.4	175.1	0	0	0	110	F107 I123 R124 P125 E129 H130 I131	F107-I127 HydrophobicContact CE2-CD1 4.37Å; F107-I127 HydrophobicContact CZ-CD1 4.31Å; F107-I127 HydrophobicContact CZ-CG2 4.24Å; I123-I127 HydrophobicContact CG2-CB 3.8Å; I123-I127 HydrophobicContact CG2-CG2 3.89Å; R124-I127 PolarHBondContact O-N 2.96Å; P125-I127 VanDerWaalsContact C-N 3.3Å; P125-I127 PolarHBondContact O-N 3.38Å; I127-E129 VanDerWaalsContact C-N 3.35Å; I127-H130 PolarHBondContact O-N 3.33Å; I127-I131 HydrophobicContact CG2-CD1 4.01Å; I127-I131 WeakPolarHBondContact O-CG1 3.27Å; I127-I131 PolarHBondContact O-N 3.16Å
128	F	44.5	Very low	40.4	Very low	83 Å²	83	81.2 Å²	81.2	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.1	-176.8	-116.4	0	0	0	111.7	I123 R124 P125 I131 L132	I123-F128 HydrophobicContact CG2-CB 3.95Å; R124-F128 PolarHBondContact O-N 3.46Å; R124-F128 VanDerWaalsContact O-N 3.13Å; P125-F128 PolarHBondContact O-N 2.94Å; F128-I131 PolarHBondContact O-N 3.11Å; F128-L132 HydrophobicContact CD1-CD1 3.87Å; F128-L132 HydrophobicContact CD1-CG 4.48Å; F128-L132 HydrophobicContact CE1-CD1 3.47Å; F128-L132 VanDerWaalsContact CE1-CD1 3.47Å; F128-L132 HydrophobicContact CE1-CG 4.2Å; F128-L132 HydrophobicContact CE2-CD1 4.47Å; F128-L132 HydrophobicContact CE2-CG 4.35Å; F128-L132 HydrophobicContact CZ-CD1 3.81Å; F128-L132 HydrophobicContact CZ-CD2 4.34Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CB 3.39Å; F128-L132 WeakPolarHBondContact O-CG 3.43Å; F128-L132 PolarHBondContact O-N 3.02Å
129	E	40.5	Very low	40.2	Very low	111 Å²	111	90.1 Å²	90.1	52%	0.519	43%	0.426	S	S	.	.	H	α-helix	trans	-58.9	-45.7	172.7	-175.2	-177.9	178.4	0	0	112.1	P125 I127 I131 L132 N133	P125-E129 PolarHBondContact O-N 2.82Å; I127-E129 VanDerWaalsContact C-N 3.35Å; E129-I131 PolarHBondContact O-N 2.98Å; E129-L132 PolarHBondContact O-N 2.81Å; E129-N133 WeakPolarHBondContact O-CB 3.38Å; E129-N133 PolarHBondContact O-N 3.15Å; E129-N133 PolarHBondContact O-ND2 2.85Å
130	H	44	Very low	40.4	Very low	135 Å²	135	87.8 Å²	87.8	63%	0.625	42%	0.417	S	S	*	.	H	α-helix	trans	-63.9	-38.9	177.1	-78.6	66.6	0	0	0	112.5	E126 I127 Y134	E126-H130 PolarHBondContact O-N 2.97Å; E126-H130 PolarHBondContact O-ND1 2.99Å; I127-H130 PolarHBondContact O-N 3.33Å; H130-Y134 WeakPolarHBondContact O-CB 3.31Å; H130-Y134 PolarHBondContact O-N 3.26Å; H130-Y134 VanDerWaalsContact O-N 3.15Å
131	I	46.3	Very low	40.3	Very low	32 Å²	32	90 Å²	90	16%	0.164	43%	0.428	C	S	.	.	H	α-helix	trans	-65.4	-43.5	174.6	-68.9	166.5	0	0	0	110.6	L120 I123 I127 F128 E129 Y134 I135	L120-I131 HydrophobicContact CD1-CG2 4.36Å; I123-I131 HydrophobicContact CD1-CD1 4.04Å; I127-I131 HydrophobicContact CG2-CD1 4.01Å; I127-I131 WeakPolarHBondContact O-CG1 3.27Å; I127-I131 PolarHBondContact O-N 3.16Å; F128-I131 PolarHBondContact O-N 3.11Å; E129-I131 PolarHBondContact O-N 2.98Å; I131-Y134 PolarHBondContact O-N 2.87Å; I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 VanDerWaalsContact O-CG1 3.31Å; I131-I135 WeakPolarHBondContact O-CG1 3.42Å; I131-I135 PolarHBondContact O-N 2.78Å
132	L	46.3	Very low	40.3	Very low	33 Å²	33	93.3 Å²	93.3	17%	0.173	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-46.3	176.5	-77.9	178.5	0	0	0	112.3	F128 E129 Y134 I135 Y136	F128-L132 HydrophobicContact CD1-CD1 3.87Å; F128-L132 HydrophobicContact CD1-CG 4.48Å; F128-L132 HydrophobicContact CE1-CD1 3.47Å; F128-L132 VanDerWaalsContact CE1-CD1 3.47Å; F128-L132 HydrophobicContact CE1-CG 4.2Å; F128-L132 HydrophobicContact CE2-CD1 4.47Å; F128-L132 HydrophobicContact CE2-CG 4.35Å; F128-L132 HydrophobicContact CZ-CD1 3.81Å; F128-L132 HydrophobicContact CZ-CD2 4.34Å; F128-L132 HydrophobicContact CZ-CG 4.12Å; F128-L132 WeakPolarHBondContact O-CB 3.39Å; F128-L132 WeakPolarHBondContact O-CG 3.43Å; F128-L132 PolarHBondContact O-N 3.02Å; E129-L132 PolarHBondContact O-N 2.81Å; L132-Y134 PolarHBondContact O-N 3.39Å; L132-I135 CarbonylContact O-C 3.54Å; L132-I135 WeakPolarHBondContact O-CA 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.41Å; L132-I135 PolarHBondContact O-N 3.44Å; L132-Y136 HydrophobicContact CB-CD2 4.27Å; L132-Y136 HydrophobicContact CB-CE2 3.96Å; L132-Y136 HydrophobicContact CD2-CE2 4.38Å; L132-Y136 WeakPolarHBondContact O-CD2 3.45Å; L132-Y136 PolarHBondContact O-N 3.31Å
133	N	44.2	Very low	40.6	Very low	89 Å²	89	85.7 Å²	85.7	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-32	178.5	-72.8	-23	0	0	0	112.4	E129 S137	E129-N133 WeakPolarHBondContact O-CB 3.38Å; E129-N133 PolarHBondContact O-N 3.15Å; E129-N133 PolarHBondContact O-ND2 2.85Å; N133-S137 PolarHBondContact O-N 3.35Å; N133-S137 PolarHBondContact O-OG 3.2Å
134	Y	44.6	Very low	40.5	Very low	69 Å²	69	92.4 Å²	92.4	27%	0.271	43%	0.426	S	S	.	.	H	α-helix	trans	-71.9	-36	171	-172.4	-93.7	0	0	0	113.1	F93 H130 I131 L132 S137 S138	F93-Y134 AromaticContact CD2-CE1 3.96Å; F93-Y134 HydrophobicContact CD2-CE1 3.96Å; H130-Y134 WeakPolarHBondContact O-CB 3.31Å; H130-Y134 PolarHBondContact O-N 3.26Å; H130-Y134 VanDerWaalsContact O-N 3.15Å; I131-Y134 PolarHBondContact O-N 2.87Å; L132-Y134 PolarHBondContact O-N 3.39Å; Y134-S137 WeakPolarHBondContact CA-OG 3.41Å; Y134-S137 PolarHBondContact O-OG 3.29Å; Y134-S138 PolarHBondContact O-N 3.33Å; Y134-S138 PolarHBondContact O-OG 3.36Å
135	I	46	Very low	41.2	Very low	8 Å²	8	86.5 Å²	86.5	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-65.9	-43	172.5	-72.1	167.4	0	0	0	110.9	I7 I88 I131 L132 S137 S138	I7-I135 HydrophobicContact CD1-CD1 3.74Å; I7-I135 HydrophobicContact CD1-CG1 4.18Å; I88-I135 HydrophobicContact CD1-CB 4.2Å; I88-I135 HydrophobicContact CD1-CG1 3.77Å; I88-I135 HydrophobicContact CD1-CG2 3.81Å; I131-I135 HydrophobicContact CG2-CD1 3.89Å; I131-I135 VanDerWaalsContact O-CG1 3.31Å; I131-I135 WeakPolarHBondContact O-CG1 3.42Å; I131-I135 PolarHBondContact O-N 2.78Å; L132-I135 CarbonylContact O-C 3.54Å; L132-I135 WeakPolarHBondContact O-CA 3.49Å; L132-I135 WeakPolarHBondContact O-CB 3.41Å; L132-I135 PolarHBondContact O-N 3.44Å; I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 2.9Å; I135-S138 WeakPolarHBondContact O-CB 3.31Å; I135-S138 PolarHBondContact O-N 2.98Å
136	Y	46	Very low	41.7	Very low	118 Å²	118	88.2 Å²	88.2	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-69.4	-21.8	179.3	-70	-54.1	0	0	0	114.1	L132 S138	L132-Y136 HydrophobicContact CB-CD2 4.27Å; L132-Y136 HydrophobicContact CB-CE2 3.96Å; L132-Y136 HydrophobicContact CD2-CE2 4.38Å; L132-Y136 WeakPolarHBondContact O-CD2 3.45Å; L132-Y136 PolarHBondContact O-N 3.31Å; Y136-S138 VanDerWaalsContact C-N 3.3Å
137	S	40.8	Very low	41.9	Very low	93 Å²	93	89 Å²	89	65%	0.65	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	0.6	170.6	41.2	0	0	0	0	113.5	N133 Y134 I135	N133-S137 PolarHBondContact O-N 3.35Å; N133-S137 PolarHBondContact O-OG 3.2Å; Y134-S137 WeakPolarHBondContact CA-OG 3.41Å; Y134-S137 PolarHBondContact O-OG 3.29Å; I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 2.9Å
138	S	40.7	Very low	42.6	Very low	21 Å²	21	89.1 Å²	89.1	15%	0.147	42%	0.416	C	S	.	.	S	Bend	trans	-103.5	140.4	175.7	-59.6	0	0	0	0	111.5	Y134 I135 Y136 I140	Y134-S138 PolarHBondContact O-N 3.33Å; Y134-S138 PolarHBondContact O-OG 3.36Å; I135-S138 WeakPolarHBondContact O-CB 3.31Å; I135-S138 PolarHBondContact O-N 2.98Å; Y136-S138 VanDerWaalsContact C-N 3.3Å; S138-I140 PolarHBondContact O-N 2.87Å; S138-I140 VanDerWaalsContact O-N 3.1Å
139	R	35.2	Very low	42.9	Very low	228 Å²	228	91.1 Å²	91.1	86%	0.86	43%	0.427	S	S	*	.			trans	-69.1	109.9	179.9	-66.4	178	76.8	171.3	3.2	110.6
140	I	39.6	Very low	43.3	Very low	71 Å²	71	90.6 Å²	90.6	36%	0.364	42%	0.424	S	S	.	.			trans	-73.2	124.9	172.7	-61.8	172.5	0	0	0	109	I86 S138 V143	I86-I140 HydrophobicContact CG2-CG1 4.24Å; I86-I140 HydrophobicContact CG2-CG2 4.15Å; S138-I140 PolarHBondContact O-N 2.87Å; S138-I140 VanDerWaalsContact O-N 3.1Å; I140-V143 HydrophobicContact CG2-CG2 4.23Å
141	I	35.2	Very low	43.7	Very low	104 Å²	104	84.5 Å²	84.5	53%	0.533	40%	0.397	S	S	.	.			trans	-102.1	-34	-173.2	-61.5	175.1	0	0	0	112.4	Q89	Q89-I141 HydrophobicContact CB-CD1 3.99Å
142	R	35	Very low	44.1	Very low	169 Å²	169	83.5 Å²	83.5	64%	0.638	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154	137.4	178.6	-161.4	166.2	-176.2	143.4	0.5	111.8
143	V	40	Very low	44.3	Very low	43 Å²	43	88 Å²	88	26%	0.261	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.8	167.8	177.1	0	0	0	0	108	I84 I140 L148	I84-V143 HydrophobicContact CG2-CG1 4.09Å; I140-V143 HydrophobicContact CG2-CG2 4.23Å; V143-L148 HydrophobicContact CG1-CD1 4.09Å; V143-L148 HydrophobicContact CG1-CD2 4.37Å
144	R	35.4	Very low	44.6	Very low	175 Å²	175	85 Å²	85	66%	0.66	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.5	169.3	-168.7	-169.9	-61.4	166.2	-0.1	109.5	T85	T85-R144 PolarHBondContact N-O 3.44Å
145	S	46.8	Very low	44.8	Very low	21 Å²	21	81.7 Å²	81.7	15%	0.147	38%	0.38	C	S	.	.			trans	-152.1	144.7	162.4	165.5	0	0	0	0	107.1	M147 L148	S145-M147 PolarHBondContact OG-N 3.45Å; S145-L148 PolarHBondContact OG-N 3.13Å
146	D	46.3	Very low	45	Very low	135 Å²	135	87.7 Å²	87.7	72%	0.722	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-43.3	168.2	43.9	3.5	0	0	0	112.9
147	M	42.5	Very low	45	Very low	97 Å²	97	87.7 Å²	87.7	48%	0.478	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	24.8	-179.4	-64	-68.9	108.7	0	0	113.3	S145 E149 E150 L151	S145-M147 PolarHBondContact OG-N 3.45Å; M147-E149 PolarHBondContact O-N 3.01Å; M147-E149 VanDerWaalsContact O-N 3.15Å; M147-E150 HydrophobicContact CB-CB 4.29Å; M147-E150 HydrophobicContact CB-CG 4.28Å; M147-E150 WeakPolarHBondContact O-CB 3.49Å; M147-E150 PolarHBondContact O-N 3.01Å; M147-E150 VanDerWaalsContact O-N 3.07Å; M147-E150 HydrophobicContact SD-CG 3.87Å; M147-L151 PolarHBondContact O-N 2.84Å
148	L	54.4	Low	45	Very low	36 Å²	36	86.8 Å²	86.8	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-56.9	-35	-173.9	-176.1	59.4	0	0	0	113.3	V143 S145 L151 I152 L166	V143-L148 HydrophobicContact CG1-CD1 4.09Å; V143-L148 HydrophobicContact CG1-CD2 4.37Å; S145-L148 PolarHBondContact OG-N 3.13Å; L148-L151 HydrophobicContact CD1-CD2 4.43Å; L148-I152 HydrophobicContact CD1-CD1 4.36Å; L148-I152 HydrophobicContact CG-CD1 4.01Å; L148-I152 WeakPolarHBondContact O-CD1 3.44Å; L148-I152 VanDerWaalsContact O-CG1 3.25Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 2.95Å; L148-L166 HydrophobicContact CD1-CB 4.42Å; L148-L166 HydrophobicContact CD1-CD1 4.16Å
149	E	52.1	Low	44.8	Very low	126 Å²	126	88.4 Å²	88.4	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-77.1	-29.6	179	-60.3	-169.9	167.6	0	0	113.7	M147 R153	M147-E149 PolarHBondContact O-N 3.01Å; M147-E149 VanDerWaalsContact O-N 3.15Å; E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.76Å; E149-R153 PolarHBondContact O-NE 3.31Å; E149-R153 VanDerWaalsContact O-NE 3.14Å
150	E	48.8	Very low	45.1	Very low	99 Å²	99	80 Å²	80	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-47	169.9	-61.8	-92.1	114.2	0	0	109.1	M147 I152 R153 A154	M147-E150 HydrophobicContact CB-CB 4.29Å; M147-E150 HydrophobicContact CB-CG 4.28Å; M147-E150 WeakPolarHBondContact O-CB 3.49Å; M147-E150 PolarHBondContact O-N 3.01Å; M147-E150 VanDerWaalsContact O-N 3.07Å; M147-E150 HydrophobicContact SD-CG 3.87Å; E150-I152 PolarHBondContact O-N 2.82Å; E150-R153 WeakPolarHBondContact O-CB 3.35Å; E150-R153 PolarHBondContact O-N 3.08Å; E150-R153 IonicContact OE1-CZ 3.12Å; E150-R153 IonicContact OE1-NH1 2.78Å; E150-R153 PolarHBondContact OE1-NH1 2.99Å; E150-R153 IonicContact OE1-NH2 2.66Å; E150-R153 PolarHBondContact OE1-NH2 3.27Å; E150-A154 WeakPolarHBondContact O-CB 3.44Å; E150-A154 PolarHBondContact O-N 3.13Å
151	L	51.3	Low	45.4	Very low	8 Å²	8	84.9 Å²	84.9	4%	0.042	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-43.8	177.2	-179.2	71.4	0	0	0	112	C82 I84 M147 L148 A154 G155 I163 L166	C82-L151 HydrophobicContact CB-CD1 4.47Å; I84-L151 HydrophobicContact CD1-CD2 3.34Å; I84-L151 HydrophobicContact CG1-CD2 4.2Å; M147-L151 PolarHBondContact O-N 2.84Å; L148-L151 HydrophobicContact CD1-CD2 4.43Å; L151-A154 PolarHBondContact O-N 3Å; L151-G155 PolarHBondContact O-N 3.1Å; L151-I163 HydrophobicContact CD1-CG2 4.1Å; L151-I163 HydrophobicContact CD2-CG2 4.43Å; L151-I163 HydrophobicContact CG-CG2 3.76Å; L151-I163 WeakPolarHBondContact O-CG2 3.26Å; L151-L166 HydrophobicContact CD2-CD1 3.95Å
152	I	54.5	Low	45.9	Very low	11 Å²	11	84.1 Å²	84.1	6%	0.056	41%	0.406	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.1	-73.2	160.3	0	0	0	111.2	L148 E150 G155 K156 L166 H167	L148-I152 HydrophobicContact CD1-CD1 4.36Å; L148-I152 HydrophobicContact CG-CD1 4.01Å; L148-I152 WeakPolarHBondContact O-CD1 3.44Å; L148-I152 VanDerWaalsContact O-CG1 3.25Å; L148-I152 WeakPolarHBondContact O-CG1 3.47Å; L148-I152 PolarHBondContact O-N 2.95Å; E150-I152 PolarHBondContact O-N 2.82Å; I152-G155 PolarHBondContact O-N 3.36Å; I152-K156 HydrophobicContact CG2-CD 4.37Å; I152-K156 WeakPolarHBondContact O-CG 3.43Å; I152-K156 PolarHBondContact O-N 2.88Å; I152-L166 HydrophobicContact CD1-CB 4.08Å; I152-L166 HydrophobicContact CG1-CB 3.92Å; I152-L166 HydrophobicContact CG1-CD1 4.48Å; I152-H167 HydrophobicContact CD1-CB 4.11Å
153	R	52.1	Low	46.6	Very low	127 Å²	127	76.7 Å²	76.7	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175	-81.6	178.5	-81.7	139.2	-5	111.3	E149 E150 G155 K156 I157	E149-R153 WeakPolarHBondContact O-CB 3.27Å; E149-R153 WeakPolarHBondContact O-CG 3.45Å; E149-R153 PolarHBondContact O-N 2.76Å; E149-R153 PolarHBondContact O-NE 3.31Å; E149-R153 VanDerWaalsContact O-NE 3.14Å; E150-R153 WeakPolarHBondContact O-CB 3.35Å; E150-R153 PolarHBondContact O-N 3.08Å; E150-R153 IonicContact OE1-CZ 3.12Å; E150-R153 IonicContact OE1-NH1 2.78Å; E150-R153 PolarHBondContact OE1-NH1 2.99Å; E150-R153 IonicContact OE1-NH2 2.66Å; E150-R153 PolarHBondContact OE1-NH2 3.27Å; R153-G155 PolarHBondContact O-N 3.24Å; R153-K156 PolarHBondContact O-N 3.38Å; R153-I157 WeakPolarHBondContact O-CD1 3.45Å; R153-I157 VanDerWaalsContact O-CG1 3.3Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 2.86Å
154	A	48.5	Very low	47.2	Very low	25 Å²	25	75.2 Å²	75.2	21%	0.207	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-45.9	174.6	0	0	0	0	0	111.7	Y13 E150 L151 K156 I157 L158	Y13-A154 HydrophobicContact CE1-CB 3.86Å; Y13-A154 HydrophobicContact CE2-CB 4.35Å; Y13-A154 PolarHBondContact OH-O 3.14Å; E150-A154 WeakPolarHBondContact O-CB 3.44Å; E150-A154 PolarHBondContact O-N 3.13Å; L151-A154 PolarHBondContact O-N 3Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.83Å; A154-I157 CarbonylContact O-C 3.59Å; A154-I157 WeakPolarHBondContact O-CA 3.41Å; A154-I157 WeakPolarHBondContact O-CB 3.41Å; A154-I157 PolarHBondContact O-N 3.32Å; A154-L158 PolarHBondContact O-N 3.47Å
155	G	48.7	Very low	48	Very low	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-56	-40.5	175.9	0	0	0	0	0	113.8	Y13 L151 I152 R153 G159 V160	Y13-G155 PolarHBondContact OH-N 3.45Å; L151-G155 PolarHBondContact O-N 3.1Å; I152-G155 PolarHBondContact O-N 3.36Å; R153-G155 PolarHBondContact O-N 3.24Å; G155-G159 PolarHBondContact O-N 2.73Å; G155-V160 PolarHBondContact O-N 3.32Å
156	K	52.3	Low	48.3	Very low	134 Å²	134	72.4 Å²	72.4	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-65	-43.6	172	-71.6	171.7	-178.8	179.5	0	111.7	I152 R153 A154 L158 G159 A164	I152-K156 HydrophobicContact CG2-CD 4.37Å; I152-K156 WeakPolarHBondContact O-CG 3.43Å; I152-K156 PolarHBondContact O-N 2.88Å; R153-K156 PolarHBondContact O-N 3.38Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 2.83Å; K156-L158 PolarHBondContact O-N 3.31Å; K156-G159 PolarHBondContact O-N 3.4Å; K156-G159 VanDerWaalsContact O-N 3.12Å; K156-A164 HydrophobicContact CB-CB 4.45Å; K156-A164 VanDerWaalsContact CE-O 3.29Å; K156-A164 WeakPolarHBondContact CE-O 3.29Å; K156-A164 HydrophobicContact CG-CB 3.56Å
157	I	44.5	Very low	48.1	Very low	119 Å²	119	72.7 Å²	72.7	61%	0.61	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-33.4	179.8	-68	163	0	0	0	112.7	R153 A154	R153-I157 WeakPolarHBondContact O-CD1 3.45Å; R153-I157 VanDerWaalsContact O-CG1 3.3Å; R153-I157 WeakPolarHBondContact O-CG1 3.44Å; R153-I157 PolarHBondContact O-N 2.86Å; A154-I157 CarbonylContact O-C 3.59Å; A154-I157 WeakPolarHBondContact O-CA 3.41Å; A154-I157 WeakPolarHBondContact O-CB 3.41Å; A154-I157 PolarHBondContact O-N 3.32Å
158	L	40.4	Very low	48.1	Very low	74 Å²	74	71 Å²	71	39%	0.387	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.2	173	-65.4	-162.3	0	0	0	114.2	Y13 K15 A154 K156 V160	Y13-L158 HydrophobicContact CD1-CD1 4.31Å; Y13-L158 HydrophobicContact CE1-CD1 3.4Å; Y13-L158 VanDerWaalsContact CE1-CD1 3.4Å; Y13-L158 HydrophobicContact CE1-CG 3.87Å; Y13-L158 HydrophobicContact CE2-CD1 4.45Å; Y13-L158 VanDerWaalsContact CZ-CD1 3.49Å; Y13-L158 WeakPolarHBondContact OH-CD1 3.29Å; Y13-L158 WeakPolarHBondContact OH-CG 3.48Å; K15-L158 HydrophobicContact CD-CD2 4.45Å; K15-L158 HydrophobicContact CG-CD2 4.19Å; A154-L158 PolarHBondContact O-N 3.47Å; K156-L158 PolarHBondContact O-N 3.31Å; L158-V160 HydrophobicContact CB-CG2 3.93Å; L158-V160 PolarHBondContact O-N 3.47Å
159	G	36.4	Very low	47.2	Very low	55 Å²	55	74.2 Å²	74.2	57%	0.567	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	12.1	-178	0	0	0	0	0	114.9	G155 K156 K161	G155-G159 PolarHBondContact O-N 2.73Å; K156-G159 PolarHBondContact O-N 3.4Å; K156-G159 VanDerWaalsContact O-N 3.12Å; G159-K161 PolarHBondContact O-N 2.83Å
160	V	42.2	Very low	46.6	Very low	52 Å²	52	75.7 Å²	75.7	32%	0.315	40%	0.396	S	S	.	.			trans	-78	88.9	-178	-175.1	0	0	0	0	109.1	G155 L158 F162 I163 A164	G155-V160 PolarHBondContact O-N 3.32Å; L158-V160 HydrophobicContact CB-CG2 3.93Å; L158-V160 PolarHBondContact O-N 3.47Å; V160-F162 HydrophobicContact CG1-CD1 3.67Å; V160-F162 HydrophobicContact CG1-CE1 4.01Å; V160-F162 PolarHBondContact O-N 3.11Å; V160-I163 HydrophobicContact CB-CB 4.49Å; V160-I163 HydrophobicContact CB-CD1 4.19Å; V160-I163 HydrophobicContact CB-CG1 4.34Å; V160-I163 HydrophobicContact CG1-CB 4.35Å; V160-I163 HydrophobicContact CG1-CD1 3.81Å; V160-I163 HydrophobicContact CG1-CG1 3.78Å; V160-I163 PolarHBondContact O-N 3.39Å; V160-A164 PolarHBondContact O-N 3.25Å
161	K	45.5	Very low	46.1	Very low	172 Å²	172	75.6 Å²	75.6	75%	0.748	41%	0.406	S	S	*	.	H	α-helix	trans	-48.3	-34.9	-173.1	-64.3	-177.5	-179.5	178.8	0	114.5	G159 N165	G159-K161 PolarHBondContact O-N 2.83Å; K161-N165 WeakPolarHBondContact O-CB 3.37Å; K161-N165 PolarHBondContact O-N 3.21Å; K161-N165 PolarHBondContact O-ND2 3.37Å
162	F	45.8	Very low	45.4	Very low	88 Å²	88	83.1 Å²	83.1	39%	0.386	44%	0.441	S	S	.	.	H	α-helix	trans	-68.6	-45.1	178.9	105.3	-105.6	0	0	0	112.1	F11 V160 N165	F11-F162 HydrophobicContact CE1-CZ 4.03Å; F11-F162 HydrophobicContact CZ-CZ 4.23Å; V160-F162 HydrophobicContact CG1-CD1 3.67Å; V160-F162 HydrophobicContact CG1-CE1 4.01Å; V160-F162 PolarHBondContact O-N 3.11Å; F162-N165 PolarHBondContact O-N 3.11Å
163	I	49.6	Very low	44.5	Very low	13 Å²	13	87.9 Å²	87.9	7%	0.067	47%	0.47	C	S	.	.	H	α-helix	trans	-70	-40.8	179.9	-55.5	177.8	0	0	0	110.1	Y13 L151 V160 N165 L166	Y13-I163 HydrophobicContact CE2-CD1 4.28Å; L151-I163 HydrophobicContact CD1-CG2 4.1Å; L151-I163 HydrophobicContact CD2-CG2 4.43Å; L151-I163 HydrophobicContact CG-CG2 3.76Å; L151-I163 WeakPolarHBondContact O-CG2 3.26Å; V160-I163 HydrophobicContact CB-CB 4.49Å; V160-I163 HydrophobicContact CB-CD1 4.19Å; V160-I163 HydrophobicContact CB-CG1 4.34Å; V160-I163 HydrophobicContact CG1-CB 4.35Å; V160-I163 HydrophobicContact CG1-CD1 3.81Å; V160-I163 HydrophobicContact CG1-CG1 3.78Å; V160-I163 PolarHBondContact O-N 3.39Å; I163-N165 PolarHBondContact O-N 3.13Å; I163-N165 VanDerWaalsContact O-N 3.13Å; I163-L166 HydrophobicContact CG2-CD1 4.07Å; I163-L166 PolarHBondContact O-N 3.33Å
164	A	53.2	Low	43.6	Very low	13 Å²	13	91.1 Å²	91.1	11%	0.107	49%	0.488	C	S	.	.	H	α-helix	trans	-57.8	-25.1	177.3	0	0	0	0	0	114.1	K156 V160	K156-A164 HydrophobicContact CB-CB 4.45Å; K156-A164 VanDerWaalsContact CE-O 3.29Å; K156-A164 WeakPolarHBondContact CE-O 3.29Å; K156-A164 HydrophobicContact CG-CB 3.56Å; V160-A164 PolarHBondContact O-N 3.25Å
165	N	53.1	Low	42.8	Very low	87 Å²	87	92.8 Å²	92.8	47%	0.465	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	11.6	-172.1	-66.6	-7.7	0	0	0	114	K161 F162 I163 H167 S168	K161-N165 WeakPolarHBondContact O-CB 3.37Å; K161-N165 PolarHBondContact O-N 3.21Å; K161-N165 PolarHBondContact O-ND2 3.37Å; F162-N165 PolarHBondContact O-N 3.11Å; I163-N165 PolarHBondContact O-N 3.13Å; I163-N165 VanDerWaalsContact O-N 3.13Å; N165-H167 PolarHBondContact O-N 3.12Å; N165-S168 PolarHBondContact O-N 2.97Å; N165-S168 PolarHBondContact O-OG 3.43Å; N165-S168 VanDerWaalsContact O-OG 3.09Å
166	L	51.6	Low	41.9	Very low	49 Å²	49	100.9 Å²	100.9	26%	0.257	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.9	-179.6	-73.4	167.2	0	0	0	115.1	L148 L151 I152 I163	L148-L166 HydrophobicContact CD1-CB 4.42Å; L148-L166 HydrophobicContact CD1-CD1 4.16Å; L151-L166 HydrophobicContact CD2-CD1 3.95Å; I152-L166 HydrophobicContact CD1-CB 4.08Å; I152-L166 HydrophobicContact CG1-CB 3.92Å; I152-L166 HydrophobicContact CG1-CD1 4.48Å; I163-L166 HydrophobicContact CG2-CD1 4.07Å; I163-L166 PolarHBondContact O-N 3.33Å
167	H	42.7	Very low	40.8	Very low	142 Å²	142	99.9 Å²	99.9	66%	0.657	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-17.1	-179.9	-153.3	99.9	0	0	0	113.8	I152 N165	I152-H167 HydrophobicContact CD1-CB 4.11Å; N165-H167 PolarHBondContact O-N 3.12Å
168	S	42.5	Very low	40.1	Very low	60 Å²	60	103.3 Å²	103.3	42%	0.42	57%	0.573	S	S	.	*	S	Bend	trans	-93.5	133.5	-179.3	40.2	0	0	0	0	112	N165 L170	N165-S168 PolarHBondContact O-N 2.97Å; N165-S168 PolarHBondContact O-OG 3.43Å; N165-S168 VanDerWaalsContact O-OG 3.09Å; S168-L170 PolarHBondContact O-N 3Å
169	P	36	Very low	39.6	Very low	105 Å²	105	108 Å²	108	68%	0.682	59%	0.593	S	S	*	*			trans	-54.9	139.3	168.3	-25.1	34.8	0	0	0	110.9	S171	P169-S171 PolarHBondContact O-N 3.35Å
170	L	39.1	Very low	39	Very low	157 Å²	157	114.4 Å²	114.4	82%	0.822	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	38.2	-171.1	-147.5	85.6	0	0	0	114.2	S168	S168-L170 PolarHBondContact O-N 3Å
171	S	39.2	Very low	38.3	Very low	96 Å²	96	118.1 Å²	118.1	67%	0.671	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-6.4	177	54.6	0	0	0	0	113.6	P169	P169-S171 PolarHBondContact O-N 3.35Å
172	Q	36.7	Very low	37.5	Very low	166 Å²	166	117.5 Å²	117.5	78%	0.776	62%	0.623	S	S	*	*			trans	-116.1	5.6	-177	-69.3	-168.6	-7.8	0	0	115.7	K174	Q172-K174 PolarHBondContact O-N 3.16Å
173	V	33.5	Very low	36.5	Very low	111 Å²	111	119 Å²	119	67%	0.673	64%	0.64	S	S	*	*			trans	-79.2	58.6	164.7	-168.5	0	0	0	0	109.6	G175	V173-G175 VanDerWaalsContact C-N 3.33Å; V173-G175 PolarHBondContact O-N 3.26Å; V173-G175 VanDerWaalsContact O-N 3.11Å
174	K	34.5	Very low	35.4	Very low	196 Å²	196	127.6 Å²	127.6	85%	0.852	68%	0.677	S	S	*	*			trans	-85.3	76.6	179.6	-166.1	178.3	-175.4	-177	0	108.6	Q172	Q172-K174 PolarHBondContact O-N 3.16Å
175	G	30.9	Very low	34.3	Very low	59 Å²	59	137 Å²	137	61%	0.608	72%	0.715	S	S	*	*			trans	-149.4	19.4	-165.3	0	0	0	0	0	116.7	V173	V173-G175 VanDerWaalsContact C-N 3.33Å; V173-G175 PolarHBondContact O-N 3.26Å; V173-G175 VanDerWaalsContact O-N 3.11Å
176	L	29.5	Very low	33.5	Very low	171 Å²	171	138.8 Å²	138.8	90%	0.895	73%	0.732	S	S	*	*			trans	-146.8	84.7	166.1	-74.2	-179.3	0	0	0	108.4
177	S	29.2	Very low	32.2	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	76%	0.76	S	S	*	*			trans	-157.9	56.8	-178.9	-65	0	0	0	0	113.2
178	E	30.3	Very low	31.4	Very low	191 Å²	191	136.4 Å²	136.4	89%	0.893	76%	0.758	S	S	*	*			trans	-135.6	133.7	156.2	-86.7	157.8	-165.8	0	0	104
179	E	29.6	Very low	30.6	Very low	172 Å²	172	140 Å²	140	80%	0.804	77%	0.772	S	S	*	*	S	Bend	cis	-123.7	-169.5	21.1	-62.2	170.8	85.2	0	0	114
180	F	25.2	Very low	30.3	Very low	189 Å²	189	142 Å²	142	83%	0.829	77%	0.772	S	S	*	*			trans	70.5	67.1	170.6	-71.1	-80.7	0	0	0	119.8
181	N	26.1	Very low	30	Very low	131 Å²	131	142.4 Å²	142.4	70%	0.701	77%	0.77	S	S	*	*				-35.1	153.2	126.1	-78.5	-75.7	0	0	0	112.8
182	Q	28.7	Very low	29.6	Very low	158 Å²	158	146.6 Å²	146.6	74%	0.738	78%	0.779	S	S	*	*			cis	-157.7	160.4	9.9	-111.3	152.7	43.4	0	0	107.9
183	T	25.6	Very low	29.1	Very low	120 Å²	120	142.1 Å²	142.1	74%	0.736	78%	0.777	S	S	*	*				-176.5	152.4	83.3	33.2	0	0	0	0	114.8
184	K	26	Very low	28.7	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	78%	0.783	S	S	*	*			trans	68.5	87.1	148.8	-71.7	176.1	-179.8	178.8	0	122.2
185	K	29.6	Very low	28.4	Very low	210 Å²	210	141.4 Å²	141.4	91%	0.913	78%	0.779	S	S	*	*				61.7	161.1	118	-83.3	-150.6	168.7	-172.2	0	122.7
186	P	36.8	Very low	28.1	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	78%	0.78	S	S	*	*			trans	-132.4	179.8	-149.4	45.5	-30.1	0	0	0	117.3
187	G	24.8	Very low	28	Very low	82 Å²	82	141.9 Å²	141.9	85%	0.845	78%	0.777	S	S	*	*			trans	164.9	149.1	162.9	0	0	0	0	0	109.2
188	G	25.1	Very low	27.6	Very low	60 Å²	60	144.7 Å²	144.7	62%	0.619	78%	0.775	S	S	*	*			cis	168.4	157.3	-4.5	0	0	0	0	0	109.5
189	N	25.7	Very low	27.3	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	77%	0.773	S	S	*	*			trans	71.1	127.9	169.7	-53.6	74.1	0	0	0	114
190	E	30.3	Very low	27.2	Very low	148 Å²	148	139.1 Å²	139.1	69%	0.692	77%	0.77	S	S	*	*				74	136.9	67.3	-64	144.8	-155.9	0	0	111.5
191	E	31.7	Very low	27.3	Very low	165 Å²	165	136.4 Å²	136.4	77%	0.771	77%	0.773	S	S	*	*			cis	-158.9	172.6	8.7	-127.1	157.5	-167.7	0	0	112.6
192	E	30.6	Very low	27.4	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	78%	0.778	S	S	*	*			trans	38.7	121.6	144	-147.5	158.2	-118.2	0	0	120.5
193	G	27.4	Very low	27.3	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	79%	0.786	S	S	*	*				127.8	166.1	70.1	0	0	0	0	0	108.6
194	D	25.9	Very low	27.3	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	79%	0.786	S	S	*	*			cis	-157.5	-160.8	-13	-153	-13.2	0	0	0	109.1
195	D	26.9	Very low	27.5	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	79%	0.788	S	S	*	*			trans	72.1	109.6	-178.7	-74.7	-34.5	0	0	0	115.8
196	V	24.2	Very low	27.4	Very low	103 Å²	103	131.8 Å²	131.8	62%	0.624	79%	0.785	S	S	*	*			cis	71.9	121.1	47.9	-169.3	0	0	0	0	110.5
197	V	27.3	Very low	27	Very low	137 Å²	137	137.8 Å²	137.8	83%	0.83	79%	0.791	S	S	*	*				-140.6	152.1	64.3	-164	0	0	0	0	114.7
198	F	22.1	Very low	27	Very low	173 Å²	173	138.8 Å²	138.8	76%	0.759	79%	0.791	S	S	*	*			trans	-66.3	153.6	172.8	-79.9	-123.4	0	0	0	114.4
199	V	24.6	Very low	27.1	Very low	140 Å²	140	140.5 Å²	140.5	85%	0.848	80%	0.8	S	S	*	*				-146.5	127	105.4	-177.6	0	0	0	0	108.6
200	S	26.7	Very low	27.1	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	80%	0.803	S	S	*	*			trans	-141.5	125.2	159.3	-75.4	0	0	0	0	108.5
201	C	27.5	Very low	27	Very low	132 Å²	132	141.2 Å²	141.2	89%	0.892	82%	0.816	S	S	*	*			trans	-150.7	135.7	156.2	-100.8	0	0	0	0	110.2
202	T	28.5	Very low	26.8	Very low	133 Å²	133	143.4 Å²	143.4	82%	0.816	82%	0.823	S	S	*	*			trans	-111.4	138.1	173.3	48.3	0	0	0	0	108.4
203	D	25.6	Very low	26.4	Very low	167 Å²	167	139 Å²	139	89%	0.893	82%	0.818	S	S	*	*			trans	-121.8	146.9	155.3	-91.6	-52	0	0	0	108.4
204	A	25.8	Very low	26.4	Very low	89 Å²	89	143.2 Å²	143.2	74%	0.736	82%	0.824	S	S	*	*			cis	-138.5	161.9	2.7	0	0	0	0	0	110.7
205	Q	30.5	Very low	26.9	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	82%	0.822	S	S	*	*			trans	-137.1	119.9	163.8	-165.3	166.8	43.4	0	0	112
206	T	27.1	Very low	26.8	Very low	136 Å²	136	139.3 Å²	139.3	83%	0.834	82%	0.817	S	S	*	*			trans	-75.6	125.1	-173.5	-37.2	0	0	0	0	112.3
207	R	28.1	Very low	26.9	Very low	249 Å²	249	140.9 Å²	140.9	94%	0.94	82%	0.822	S	S	*	*			trans	-143	129.1	157.1	-83.3	-168.8	169.9	174.7	-2.3	111.1
208	A	25.2	Very low	26.8	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	82%	0.819	S	S	*	*			trans	-138.3	144.2	163.9	0	0	0	0	0	107.7
209	A	27.8	Very low	27.1	Very low	96 Å²	96	141.3 Å²	141.3	79%	0.793	82%	0.824	S	S	*	*			trans	-147.2	134.4	-178.2	0	0	0	0	0	112.2
210	S	25.8	Very low	27.1	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	82%	0.819	S	S	*	*			trans	53.9	107.2	155.1	-57.3	0	0	0	0	120.2
211	L	28.5	Very low	27.3	Very low	184 Å²	184	142.4 Å²	142.4	96%	0.963	82%	0.816	S	S	*	*			trans	-125.2	162.1	132.2	-77.3	179.4	0	0	0	109.7
212	K	26.1	Very low	27.5	Very low	210 Å²	210	142.3 Å²	142.3	91%	0.913	80%	0.803	S	S	*	*			trans	-99.4	145.5	-158	-57.5	169.9	177.1	175.3	0	114.2
213	A	23.9	Very low	27.5	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	80%	0.796	S	S	*	*			trans	-167.4	146.9	136.8	0	0	0	0	0	112.2
214	N	26.4	Very low	27.8	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	79%	0.785	S	S	*	*			trans	-117.3	171.8	161.7	-72.7	1.3	0	0	0	106.5
215	P	36.7	Very low	27.8	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	79%	0.786	S	S	*	*			cis	-143.8	-163	18.2	37.8	-13.7	0	0	0	116.1
216	S	23.6	Very low	27.7	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	77%	0.77	S	S	*	*			trans	102.1	143.5	150.9	-49.4	0	0	0	0	120.4
217	D	27.4	Very low	27.7	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	77%	0.767	S	S	*	*			trans	62.9	114.3	159.5	-49.9	-23	0	0	0	118.6
218	I	24.8	Very low	27.5	Very low	150 Å²	150	134.2 Å²	134.2	77%	0.769	75%	0.753	S	S	*	*				68.2	114.4	68.7	-60.1	165.1	0	0	0	109.8
219	I	28.6	Very low	27.5	Very low	169 Å²	169	134.8 Å²	134.8	87%	0.867	75%	0.746	S	S	*	*				-136.2	167.5	71.8	-74.6	170.7	0	0	0	112.8
220	D	25.2	Very low	27.2	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	74%	0.742	S	S	*	*			trans	-120.2	-170.3	-166.7	-163.5	-5.2	0	0	0	112.3
221	L	30.8	Very low	27.2	Very low	131 Å²	131	136 Å²	136	69%	0.686	73%	0.732	S	S	*	*			trans	75.5	142.8	167.2	-87.1	53.9	0	0	0	118.3
222	E	30.6	Very low	27.1	Very low	130 Å²	130	135.2 Å²	135.2	61%	0.607	72%	0.721	S	S	*	*			cis	-167.4	168.8	-18.9	-129.9	-170.4	173.2	0	0	111.6
223	K	29.3	Very low	27	Very low	156 Å²	156	133.2 Å²	133.2	68%	0.678	72%	0.715	S	S	*	*			trans	30.6	152.9	135.5	-96.6	139.2	153.2	-172.2	0	121.6
224	V	31.2	Very low	27	Very low	107 Å²	107	133.3 Å²	133.3	65%	0.648	71%	0.71	S	S	*	*			cis	-178.5	-175.7	0.3	72.2	0	0	0	0	108.4
225	E	25.8	Very low	27.1	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	71%	0.709	S	S	*	*			cis	-151.5	-177.7	1.5	-156.5	124.7	-128.6	0	0	112.4
226	S	28.5	Very low	26.6	Very low	80 Å²	80	135.8 Å²	135.8	56%	0.559	71%	0.711	S	S	*	*			trans	-51.7	160	178.4	-68	0	0	0	0	123.4
227	E	26.7	Very low	26.9	Very low	162 Å²	162	135.2 Å²	135.2	76%	0.757	71%	0.707	S	S	*	*			trans	75.1	158.2	133.3	-77.2	162.8	-124.1	0	0	120.4
228	N	23.9	Very low	26.9	Very low	124 Å²	124	135.3 Å²	135.3	66%	0.663	71%	0.708	S	S	*	*			cis	-154.9	172.6	6.7	-138.8	-30.1	0	0	0	114.4
229	V	25.5	Very low	27.1	Very low	116 Å²	116	136.3 Å²	136.3	70%	0.703	71%	0.709	S	S	*	*			trans	62.5	119.4	147.7	152.2	0	0	0	0	118.7
230	E	22.9	Very low	27	Very low	152 Å²	152	134.1 Å²	134.1	71%	0.71	70%	0.703	S	S	*	*				72	134.3	65	-178.5	96	-119.8	0	0	112.6
231	S	24.4	Very low	27.1	Very low	83 Å²	83	131.9 Å²	131.9	58%	0.58	70%	0.704	S	S	*	*			cis	175.5	169.4	-15.9	-80.4	0	0	0	0	107.6
232	K	26.4	Very low	26.9	Very low	167 Å²	167	130.5 Å²	130.5	73%	0.726	71%	0.711	S	S	*	*			trans	75.7	128.9	160.2	-67.3	168	178.2	166.2	0	118.8
233	Q	25.3	Very low	26.7	Very low	169 Å²	169	131.9 Å²	131.9	79%	0.79	72%	0.723	S	S	*	*				77.8	151.7	104	-62.6	178.4	-78.5	0	0	114.1
234	S	23.8	Very low	26.6	Very low	94 Å²	94	128.8 Å²	128.8	66%	0.657	73%	0.726	S	S	*	*			cis	-159.7	153.2	10.7	43	0	0	0	0	113.4
235	E	27.8	Very low	26.3	Very low	178 Å²	178	126.9 Å²	126.9	83%	0.832	73%	0.728	S	S	*	*			trans	59.7	155.8	135.6	-64.9	166.8	153.1	0	0	125.2
236	D	25.7	Very low	26.4	Very low	149 Å²	149	129.3 Å²	129.3	80%	0.797	74%	0.736	S	S	*	*			trans	66.6	155.2	157.4	-85.3	-16.7	0	0	0	122.8
237	S	29.5	Very low	26.2	Very low	83 Å²	83	129.6 Å²	129.6	58%	0.58	74%	0.743	S	S	*	*			cis	-171.8	154.4	-30.6	-117.2	0	0	0	0	114.7
238	N	28.4	Very low	26.2	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	75%	0.747	S	S	*	*			trans	72.9	153.8	148.5	-69.1	-40.8	0	0	0	126.3
239	H	28.2	Very low	26.2	Very low	171 Å²	171	125.6 Å²	125.6	79%	0.792	76%	0.755	S	S	*	*			trans	73.9	147.4	156.3	-73.3	-64.2	0	0	0	122.4
240	V	28.3	Very low	26.3	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	76%	0.759	S	S	*	*			cis	-168.1	148.2	-29.1	91.5	0	0	0	0	115.4
241	A	25.8	Very low	26.8	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	76%	0.76	S	S	*	*			trans	59.1	164.4	147.4	0	0	0	0	0	126.2
242	A	27.8	Very low	26.8	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	77%	0.771	S	S	*	*			trans	77.3	143.3	157	0	0	0	0	0	119.9
243	D	25.6	Very low	26.8	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	77%	0.767	S	S	*	*			cis	-160.9	-177.3	-17.1	-166.7	15.7	0	0	0	111.1
244	A	27.5	Very low	26.8	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	77%	0.77	S	S	*	*			trans	-22.9	161.7	171.6	0	0	0	0	0	120.3
245	G	24.9	Very low	26.9	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	77%	0.773	S	S	*	*			cis	140.2	164.2	8	0	0	0	0	0	111.9
246	K	26.7	Very low	26.9	Very low	216 Å²	216	120.9 Å²	120.9	94%	0.939	77%	0.773	S	S	*	*			trans	66.4	168.1	178.5	-67.3	176	178.5	172.9	0	117.3
247	A	26.3	Very low	26.8	Very low	86 Å²	86	122.5 Å²	122.5	71%	0.711	77%	0.773	S	S	*	*			cis	-172.5	150	-41.4	0	0	0	0	0	111.4
248	A	24.7	Very low	26.6	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	78%	0.776	S	S	*	*			trans	51.8	134	151.9	0	0	0	0	0	122.6
249	A	24.6	Very low	26.5	Very low	100 Å²	100	124 Å²	124	83%	0.826	78%	0.776	S	S	*	*				-176.1	146.3	123.3	0	0	0	0	0	113.1
250	T	26.9	Very low	26.4	Very low	127 Å²	127	121.3 Å²	121.3	78%	0.779	77%	0.771	S	S	*	*			trans	-121.1	148.5	162.6	55.6	0	0	0	0	109.8
251	P	34.9	Very low	26.3	Very low	115 Å²	115	121.9 Å²	121.9	75%	0.747	77%	0.77	S	S	*	*				-130	158.1	118.9	9.4	13.5	0	0	0	110.9
252	K	24.6	Very low	26.5	Very low	183 Å²	183	122.5 Å²	122.5	80%	0.796	77%	0.769	S	S	*	*			cis	66.4	139.5	49.9	-65	-171.7	178.8	179.9	0	112.1
253	T	25.3	Very low	26.7	Very low	106 Å²	106	122 Å²	122	65%	0.65	76%	0.759	S	S	*	*			cis	-167.4	162.4	7.3	4.5	0	0	0	0	111.9
254	N	25.2	Very low	26.6	Very low	158 Å²	158	120.9 Å²	120.9	85%	0.845	75%	0.753	S	S	*	*			trans	67.2	149.4	152.9	-56.4	-16	0	0	0	120
255	G	26.9	Very low	26.4	Very low	70 Å²	70	121.6 Å²	121.6	72%	0.722	75%	0.752	S	S	*	*			cis	156.5	146.5	-15.4	0	0	0	0	0	116.7
256	A	26.9	Very low	26.5	Very low	102 Å²	102	122.9 Å²	122.9	84%	0.843	75%	0.75	S	S	*	*			trans	71	163.4	164.5	0	0	0	0	0	116.5
257	K	24.4	Very low	26.6	Very low	183 Å²	183	117.6 Å²	117.6	80%	0.796	74%	0.74	S	S	*	*			cis	-157	134.2	17.1	-168.3	162.4	178.6	-175.9	0	115.3
258	C	23.9	Very low	26.6	Very low	95 Å²	95	117.9 Å²	117.9	64%	0.642	74%	0.737	S	S	*	*			trans	64	163.9	151.5	-73.3	0	0	0	0	120.3
259	Q	26.6	Very low	26.7	Very low	157 Å²	157	120.2 Å²	120.2	73%	0.734	74%	0.735	S	S	*	*			cis	-176.6	150.2	-31.9	-150.2	164.1	1.4	0	0	105.1
260	V	26.8	Very low	26.8	Very low	114 Å²	114	120.6 Å²	120.6	69%	0.691	73%	0.732	S	S	*	*				-176.9	135.9	72.6	164.5	0	0	0	0	109
261	N	26.9	Very low	27.3	Very low	137 Å²	137	120.2 Å²	120.2	73%	0.733	73%	0.731	S	S	*	*			trans	23.6	158.8	143.3	-50.5	8.5	0	0	0	121.5
262	S	29.3	Very low	27	Very low	103 Å²	103	118.9 Å²	118.9	72%	0.72	73%	0.73	S	S	*	*			cis	-171.3	-178.7	-17.5	55.9	0	0	0	0	105.6
263	S	31.5	Very low	27.1	Very low	89 Å²	89	115.9 Å²	115.9	62%	0.622	73%	0.728	S	S	*	*			cis	-164	169.4	10.8	-1	0	0	0	0	105.7
264	D	22.9	Very low	27.2	Very low	137 Å²	137	119.5 Å²	119.5	73%	0.733	74%	0.737	S	S	*	*			cis	-148.4	143.4	-7.5	-95.5	-41.6	0	0	0	106.2
265	C	24.9	Very low	27.2	Very low	106 Å²	106	116.6 Å²	116.6	72%	0.716	73%	0.734	S	S	*	*				65.8	133	79.4	138	0	0	0	0	114.1
266	S	25.8	Very low	27.2	Very low	94 Å²	94	122 Å²	122	66%	0.657	74%	0.741	S	S	*	*			cis	-161.2	160.9	-11.4	-65.1	0	0	0	0	112
267	S	28.9	Very low	28	Very low	105 Å²	105	122.9 Å²	122.9	73%	0.734	74%	0.738	S	S	*	*			trans	39.8	151.2	134.5	67.3	0	0	0	0	123.7
268	S	26.7	Very low	27.9	Very low	93 Å²	93	118 Å²	118	65%	0.65	74%	0.739	S	S	*	*			cis	-179.8	171.7	-13.4	56.6	0	0	0	0	111.8
269	N	26.5	Very low	28	Very low	150 Å²	150	118.8 Å²	118.8	80%	0.802	75%	0.746	S	S	*	*			trans	76.5	122.8	147.6	-66.9	-6.7	0	0	0	123.8
270	S	26.7	Very low	27.8	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	75%	0.752	S	S	*	*			trans	-39	173.9	145	-40.9	0	0	0	0	115.6
271	P	38.1	Very low	27.8	Very low	118 Å²	118	119.7 Å²	119.7	77%	0.766	76%	0.756	S	S	*	*			cis	-154.4	163.9	30.3	44.1	-21.8	0	0	0	122.4
272	A	27.6	Very low	28.1	Very low	87 Å²	87	119.2 Å²	119.2	72%	0.719	76%	0.761	S	S	*	*			trans	55.5	135	135	0	0	0	0	0	126
273	T	27.1	Very low	27.8	Very low	121 Å²	121	117.6 Å²	117.6	74%	0.742	76%	0.76	S	S	*	*			trans	96.8	133	138.3	9.1	0	0	0	0	124
274	H	27.4	Very low	28.4	Very low	181 Å²	181	119.2 Å²	119.2	84%	0.838	77%	0.769	S	S	*	*			trans	79.9	138.9	151.6	-82.3	-69.7	0	0	0	124.3
275	A	24.9	Very low	28.4	Very low	97 Å²	97	118.6 Å²	118.6	80%	0.802	77%	0.77	S	S	*	*			trans	84.9	130.9	151.8	0	0	0	0	0	122
276	Q	27.6	Very low	28.7	Very low	183 Å²	183	118.3 Å²	118.3	86%	0.855	77%	0.769	S	S	*	*			trans	-101.6	179.3	152.3	-86.7	-159.5	-2.8	0	0	108.6
277	P	42.6	Very low	28.6	Very low	122 Å²	122	122.2 Å²	122.2	79%	0.792	78%	0.777	S	S	*	*			cis	-123.6	-172.9	-13.5	30.6	-10.7	0	0	0	111.9
278	G	22.7	Very low	28.4	Very low	79 Å²	79	122.4 Å²	122.4	81%	0.814	78%	0.778	S	S	*	*			trans	165.3	128.8	161.6	0	0	0	0	0	115.7
279	S	25.9	Very low	28.5	Very low	112 Å²	112	123.7 Å²	123.7	78%	0.783	78%	0.782	S	S	*	*			trans	-89.6	147	164.9	178.4	0	0	0	0	109.9
280	L	24	Very low	28.5	Very low	164 Å²	164	122.8 Å²	122.8	86%	0.859	78%	0.778	S	S	*	*				177.4	142.1	121	-93.4	163.7	0	0	0	112.5
281	T	25.8	Very low	28.7	Very low	126 Å²	126	124.1 Å²	124.1	77%	0.773	77%	0.773	S	S	*	*			trans	-87.6	159.9	168.5	46.3	0	0	0	0	111
282	P	32.4	Very low	28.4	Very low	128 Å²	128	125.9 Å²	125.9	83%	0.831	78%	0.775	S	S	*	*				-142.1	164.1	98.1	35.8	-20.6	0	0	0	115.2
283	G	23.1	Very low	28.3	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	77%	0.769	S	S	*	*			trans	-95.4	-142.7	165.2	0	0	0	0	0	111.4
284	P	44.3	Very low	28.2	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	77%	0.77	S	S	*	*			cis	-116.7	-174.7	2	44.6	-31.1	0	0	0	111.9
285	T	23.5	Very low	28.1	Very low	123 Å²	123	124.5 Å²	124.5	76%	0.755	77%	0.769	S	S	*	*				-149.6	142.8	75.4	40.8	0	0	0	0	114.6
286	S	31	Very low	28.3	Very low	100 Å²	100	129.6 Å²	129.6	70%	0.699	77%	0.773	S	S	*	*			trans	6.2	151.8	140.9	58.7	0	0	0	0	120.8
287	E	23.1	Very low	28.3	Very low	176 Å²	176	130.9 Å²	130.9	82%	0.822	78%	0.776	S	S	*	*			cis	-142.4	146.5	35.4	-71.1	175.5	138.8	0	0	115
288	S	26.4	Very low	27.4	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	78%	0.777	S	S	*	*				42.5	139	127.3	114.7	0	0	0	0	120.3
289	T	28.4	Very low	27.4	Very low	120 Å²	120	136 Å²	136	74%	0.736	78%	0.777	S	S	*	*			cis	-179	149.1	16.9	-85.4	0	0	0	0	106.4
290	D	27	Very low	27.3	Very low	131 Å²	131	135 Å²	135	70%	0.701	78%	0.775	S	S	*	*			cis	-152.4	160.4	-0.6	-126.2	15.8	0	0	0	109.8
291	M	30.3	Very low	27.3	Very low	136 Å²	136	131.9 Å²	131.9	67%	0.67	77%	0.774	S	S	*	*				50.7	129.8	92.2	-55.9	-79.7	79.8	0	0	116.4
292	L	30.6	Very low	27.3	Very low	155 Å²	155	132 Å²	132	81%	0.812	78%	0.78	S	S	*	*			cis	-152.5	169.8	0.9	-94.5	151.8	0	0	0	108
293	G	26.3	Very low	27.1	Very low	56 Å²	56	131.2 Å²	131.2	58%	0.577	78%	0.777	S	S	*	*			cis	158.4	78.5	0.3	0	0	0	0	0	114.1
294	V	24.1	Very low	27.3	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	79%	0.789	S	S	*	*			trans	49.2	135.6	137	179.1	0	0	0	0	120.5
295	H	27.1	Very low	26.3	Very low	178 Å²	178	140.1 Å²	140.1	82%	0.824	80%	0.795	S	S	*	*				-177	119.7	121.2	-105.6	-78.9	0	0	0	113.9
296	K	28.1	Very low	26.4	Very low	204 Å²	204	137.2 Å²	137.2	89%	0.887	79%	0.79	S	S	*	*			trans	-102.1	152	153.3	-81.2	-175.1	175.6	-180	0	108.7
297	K	27.3	Very low	26.2	Very low	210 Å²	210	140 Å²	140	91%	0.913	80%	0.797	S	S	*	*			trans	-139.4	150.8	167.3	-160.7	174	-178.1	-178.6	0	108.9
298	Q	24.2	Very low	26.7	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	80%	0.797	S	S	*	*			trans	-134.6	178.2	-173.5	-166.4	-180	1.1	0	0	109
299	V	23.6	Very low	26.7	Very low	137 Å²	137	142.1 Å²	142.1	83%	0.83	80%	0.802	S	S	*	*			trans	81	137.3	172.9	-174.5	0	0	0	0	112.2
300	A	23.1	Very low	26.7	Very low	90 Å²	90	143.3 Å²	143.3	74%	0.744	80%	0.803	S	S	*	*			cis	-129.6	175.7	10	0	0	0	0	0	113.5
301	A	24.7	Very low	26.7	Very low	99 Å²	99	148.4 Å²	148.4	82%	0.818	81%	0.812	S	S	*	*			trans	-95.1	149.1	156.8	0	0	0	0	0	110.1
302	S	24.2	Very low	26.5	Very low	129 Å²	129	149 Å²	149	90%	0.902	82%	0.817	S	S	*	*			trans	-146.2	150.4	165.8	57.6	0	0	0	0	109.9
303	S	28.6	Very low	26.4	Very low	110 Å²	110	149.8 Å²	149.8	77%	0.769	82%	0.821	S	S	*	*			trans	-114.1	127.3	-176.6	53.9	0	0	0	0	110.5
304	Q	27.6	Very low	26.4	Very low	209 Å²	209	154.5 Å²	154.5	98%	0.977	83%	0.833	S	S	*	*			trans	-144	167.8	158.7	-79.8	-151.6	-37.5	0	0	111.2
305	D	23.8	Very low	26.7	Very low	170 Å²	170	155.4 Å²	155.4	91%	0.909	84%	0.839	S	S	*	*			trans	-110.1	163.8	-165.9	-172	13.9	0	0	0	110.6
306	G	25.6	Very low	26.8	Very low	63 Å²	63	152.2 Å²	152.2	65%	0.649	84%	0.836	S	S	*	*			trans	136.2	143.3	169.1	0	0	0	0	0	117.8
307	D	26.4	Very low	26.7	Very low	158 Å²	158	146.1 Å²	146.1	85%	0.845	83%	0.831	S	S	*	*			trans	-67.4	150	-172.1	-54.4	-87.3	0	0	0	116.5
308	P	34.3	Very low	26.6	Very low	127 Å²	127	142.3 Å²	142.3	83%	0.825	83%	0.825	S	S	*	*			trans	-80.1	122.9	168.9	32.3	-32.6	0	0	0	112.1
309	K	26.5	Very low	26.8	Very low	203 Å²	203	139.6 Å²	139.6	88%	0.883	83%	0.826	S	S	*	*			trans	-116.6	109.2	170.5	-165.5	165.9	-171.1	165.2	0	112.1
310	I	27.6	Very low	26.9	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	82%	0.823	S	S	*	*			trans	-60.5	136.2	-176.5	-58.9	165.4	0	0	0	111.9	L312	I310-L312 HydrophobicContact CG2-CD1 4.14Å
311	R	27.7	Very low	27.1	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.898	83%	0.831	S	S	*	*			trans	-142.4	123.2	153.6	-74.6	-165.3	168	-155.5	-5	110.2
312	L	24.5	Very low	27.2	Very low	148 Å²	148	140.4 Å²	140.4	78%	0.775	83%	0.831	S	S	*	*			trans	-79.9	148.8	164.3	-70.6	92.5	0	0	0	110.2	I310	I310-L312 HydrophobicContact CG2-CD1 4.14Å
313	L	28.8	Very low	27.4	Very low	171 Å²	171	139.1 Å²	139.1	90%	0.895	83%	0.828	S	S	*	*			trans	-145.4	117.5	154.4	-85.2	178.3	0	0	0	109.1
314	D	25.9	Very low	27.3	Very low	156 Å²	156	144 Å²	144	83%	0.834	84%	0.836	S	S	*	*			trans	-78.2	144.8	165.4	-92	-52.6	0	0	0	110.8
315	V	31.3	Very low	27.3	Very low	145 Å²	145	136.9 Å²	136.9	88%	0.879	82%	0.818	S	S	*	*			trans	-140	136.9	159.7	-179	0	0	0	0	109.1
316	S	29.1	Very low	27.5	Very low	111 Å²	111	136 Å²	136	78%	0.776	82%	0.819	S	S	*	*			trans	-115.6	144.5	-159.7	58.6	0	0	0	0	115.7
317	G	25.5	Very low	27.7	Very low	75 Å²	75	140.3 Å²	140.3	77%	0.773	83%	0.826	S	S	*	*			trans	87.9	168.6	160.2	0	0	0	0	0	116
318	V	26.6	Very low	27.8	Very low	131 Å²	131	141.3 Å²	141.3	79%	0.794	83%	0.825	S	S	*	*			cis	-151.2	134.7	11.4	170.7	0	0	0	0	110.9
319	S	26.9	Very low	27.5	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	83%	0.826	S	S	*	*			trans	44.4	167.1	153.3	-58.2	0	0	0	0	123.3
320	A	26.3	Very low	28.1	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	82%	0.815	S	S	*	*			cis	-178	129.5	-41.7	0	0	0	0	0	109.3
321	S	27.7	Very low	28.5	Very low	131 Å²	131	138.2 Å²	138.2	92%	0.916	82%	0.815	S	S	*	*			trans	-158.5	165	158.7	68.4	0	0	0	0	110.9
322	S	26.6	Very low	28.8	Very low	118 Å²	118	130.4 Å²	130.4	83%	0.825	79%	0.793	S	S	*	*			trans	-111	128.9	-156.2	163.5	0	0	0	0	115
323	A	27.4	Very low	29.4	Very low	102 Å²	102	126.5 Å²	126.5	84%	0.843	78%	0.776	S	S	*	*			trans	-135.6	138.8	150.9	0	0	0	0	0	109
324	K	27.5	Very low	29.9	Very low	214 Å²	214	122.9 Å²	122.9	93%	0.93	76%	0.761	S	S	*	*			trans	-111.7	103.9	-168	-166.9	176.6	-174.3	178.6	0	111.6
325	G	27.3	Very low	30.5	Very low	59 Å²	59	119.6 Å²	119.6	61%	0.608	74%	0.743	S	S	*	*			trans	-138.7	136.2	169.9	0	0	0	0	0	109.9	I327	G325-I327 PolarHBondContact O-N 3.45Å
326	T	27.8	Very low	31	Very low	150 Å²	150	119.7 Å²	119.7	92%	0.92	74%	0.738	S	S	*	*			trans	-78.8	101.9	-175	-41.1	0	0	0	0	110
327	I	30.1	Very low	31.8	Very low	155 Å²	155	120 Å²	120	80%	0.795	74%	0.736	S	S	*	*			trans	-94.1	122.7	174	-62.7	169.7	0	0	0	107.9	G325 A329	G325-I327 PolarHBondContact O-N 3.45Å; I327-A329 PolarHBondContact O-N 3.26Å
328	E	28.8	Very low	32.8	Very low	179 Å²	179	119.5 Å²	119.5	84%	0.836	73%	0.73	S	S	*	*			trans	-67.2	128.8	168.4	-66.7	-174.3	127.8	0	0	109.4	K330	E328-K330 PolarHBondContact O-N 3.44Å
329	A	28.2	Very low	33.7	Very low	101 Å²	101	119 Å²	119	84%	0.835	73%	0.728	S	S	*	*			trans	-73.5	92.3	-172.7	0	0	0	0	0	111.4	I327 Q331	I327-A329 PolarHBondContact O-N 3.26Å; A329-Q331 PolarHBondContact O-N 2.77Å; A329-Q331 VanDerWaalsContact O-N 3.12Å
330	K	38.8	Very low	34.6	Very low	152 Å²	152	119 Å²	119	66%	0.661	72%	0.715	S	S	*	*			trans	-59	111.8	163.9	-73.8	-169.5	172.4	-165.8	0	109.5	E328 T332 D360	E328-K330 PolarHBondContact O-N 3.44Å; K330-T332 PolarHBondContact O-N 2.88Å; K330-D360 IonicContact NZ-OD2 2.66Å; K330-D360 PolarHBondContact NZ-OD2 2.96Å
331	Q	36.6	Very low	35.7	Very low	158 Å²	158	120 Å²	120	74%	0.738	71%	0.706	S	S	*	*			trans	-91	86.5	172.6	-169.3	173.4	3.8	0	0	109.3	A329 V333	A329-Q331 PolarHBondContact O-N 2.77Å; A329-Q331 VanDerWaalsContact O-N 3.12Å; Q331-V333 HydrophobicContact CG-CG2 4.15Å; Q331-V333 PolarHBondContact O-N 2.92Å
332	T	32.6	Very low	36.3	Very low	73 Å²	73	121.5 Å²	121.5	45%	0.448	70%	0.704	S	S	.	*			trans	-69.7	121.8	173.4	-49.2	0	0	0	0	109.4	K330	K330-T332 PolarHBondContact O-N 2.88Å
333	V	37.8	Very low	37.1	Very low	67 Å²	67	120.9 Å²	120.9	41%	0.406	70%	0.7	S	S	.	*			trans	-117.4	114.5	-178.1	-173	0	0	0	0	110	Q331 L335	Q331-V333 HydrophobicContact CG-CG2 4.15Å; Q331-V333 PolarHBondContact O-N 2.92Å; V333-L335 HydrophobicContact CG1-CD2 3.67Å; V333-L335 HydrophobicContact CG1-CG 3.93Å
334	T	38.2	Very low	38.1	Very low	94 Å²	94	120.6 Å²	120.6	58%	0.577	68%	0.684	S	S	*	*			trans	-95.7	94.6	176.8	35.2	0	0	0	0	110.9	T358	T334-T358 HydrophobicContact CG2-CG2 4.21Å
335	L	39.6	Very low	38.7	Very low	87 Å²	87	115.1 Å²	115.1	46%	0.455	67%	0.672	S	S	.	*			trans	-85.6	123.3	-179.8	-63.5	179.4	0	0	0	112	V333 E340	V333-L335 HydrophobicContact CG1-CD2 3.67Å; V333-L335 HydrophobicContact CG1-CG 3.93Å; L335-E340 HydrophobicContact CD1-CB 4.19Å; L335-E340 VanDerWaalsContact CD2-OE2 3.26Å; L335-E340 WeakPolarHBondContact CD2-OE2 3.28Å
336	N	42	Very low	39.4	Very low	147 Å²	147	118.7 Å²	118.7	79%	0.786	69%	0.688	S	S	*	*			trans	-97.9	119.9	172.3	-74.7	-76.2	0	0	0	110
337	T	44.8	Very low	40	Very low	118 Å²	118	114.1 Å²	114.1	72%	0.724	67%	0.671	S	S	*	*	S	Bend	trans	71.9	139.1	-174.6	74.3	0	0	0	0	116	T339	T337-T339 PolarHBondContact O-N 3.33Å; T337-T339 VanDerWaalsContact O-N 3.09Å
338	G	47.4	Very low	40.5	Very low	64 Å²	64	108.9 Å²	108.9	66%	0.66	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	44.1	-160.1	0	0	0	0	0	116.5
339	T	45.8	Very low	41.1	Very low	120 Å²	120	106.5 Å²	106.5	74%	0.736	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-5.2	-179.5	40.3	0	0	0	0	115.3	T337	T337-T339 PolarHBondContact O-N 3.33Å; T337-T339 VanDerWaalsContact O-N 3.09Å
340	E	45.8	Very low	41.5	Very low	116 Å²	116	105.8 Å²	105.8	54%	0.542	62%	0.619	S	S	.	*	S	Bend	trans	-97.7	-0.9	177.8	-68.8	-172.4	-170.1	0	0	114.2	L335 D342 S343	L335-E340 HydrophobicContact CD1-CB 4.19Å; L335-E340 VanDerWaalsContact CD2-OE2 3.26Å; L335-E340 WeakPolarHBondContact CD2-OE2 3.28Å; E340-D342 VanDerWaalsContact C-N 3.25Å; E340-D342 PolarHBondContact O-N 3.29Å; E340-S343 WeakPolarHBondContact O-CB 3.42Å; E340-S343 PolarHBondContact O-N 2.1Å; E340-S343 VanDerWaalsContact O-N 3.1Å
341	I	48.5	Very low	41.7	Very low	114 Å²	114	104.6 Å²	104.6	59%	0.585	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-63.2	-32.5	-177.3	-57.9	176.6	0	0	0	111.6	S343 L344	I341-S343 PolarHBondContact O-N 2.65Å; I341-S343 VanDerWaalsContact O-N 3.16Å; I341-L344 PolarHBondContact O-N 3.48Å
342	D	40.1	Very low	41.8	Very low	163 Å²	163	100.2 Å²	100.2	87%	0.872	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-69.4	-5.5	177.7	-71.1	-23.7	0	0	0	114	E340	E340-D342 VanDerWaalsContact C-N 3.25Å; E340-D342 PolarHBondContact O-N 3.29Å
343	S	44.6	Very low	42.2	Very low	106 Å²	106	100.7 Å²	100.7	74%	0.741	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-94	-7.6	176.8	-61.1	0	0	0	0	114.2	E340 I341	E340-S343 WeakPolarHBondContact O-CB 3.42Å; E340-S343 PolarHBondContact O-N 2.1Å; E340-S343 VanDerWaalsContact O-N 3.1Å; I341-S343 PolarHBondContact O-N 2.65Å; I341-S343 VanDerWaalsContact O-N 3.16Å
344	L	48.1	Very low	42	Very low	96 Å²	96	106.1 Å²	106.1	50%	0.503	63%	0.627	S	S	.	*	S	Bend	trans	-89.1	118.2	-178.4	-70.5	171.1	0	0	0	111.1	I341	I341-L344 PolarHBondContact O-N 3.48Å
345	S	40.5	Very low	42.2	Very low	98 Å²	98	105.4 Å²	105.4	69%	0.685	64%	0.638	S	S	*	*			trans	-68.1	148.5	-178.4	63.1	0	0	0	0	113	G347	S345-G347 PolarHBondContact O-N 3Å
346	S	42.3	Very low	42.3	Very low	134 Å²	134	108.4 Å²	108.4	94%	0.937	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	84.8	-177	56.9	0	0	0	0	112.3
347	G	39.9	Very low	42.2	Very low	55 Å²	55	108.8 Å²	108.8	57%	0.567	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-176	-16	177.3	0	0	0	0	0	116.3	S345	S345-G347 PolarHBondContact O-N 3Å
348	C	39.3	Very low	41.8	Very low	45 Å²	45	104.9 Å²	104.9	30%	0.304	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-81.1	142.2	-177.4	-62.5	0	0	0	0	113.1	I361	C348-I361 HydrophobicContact CB-CG2 4.1Å
349	K	41.3	Very low	41.4	Very low	128 Å²	128	107.8 Å²	107.8	56%	0.557	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.1	125.3	163.2	-73.4	-177.3	178.2	178.1	0	109.1	Y351	K349-Y351 HydrophobicContact CB-CE2 3.83Å
350	V	38.3	Very low	41.1	Very low	86 Å²	86	103.2 Å²	103.2	52%	0.521	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.2	129.6	177.9	-176	0	0	0	0	109	Y359	V350-Y359 HydrophobicContact CG1-CD1 4.07Å; V350-Y359 HydrophobicContact CG1-CG 4.33Å
351	Y	42.2	Very low	40.8	Very low	127 Å²	127	100.4 Å²	100.4	50%	0.498	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	129.4	176.2	-67.7	-92.9	0	0	0	109.8	K349 Y359 D360	K349-Y351 HydrophobicContact CB-CE2 3.83Å; Y351-Y359 WeakPolarHBondContact O-CA 3.4Å; Y351-D360 PolarHBondContact N-O 3.12Å; Y351-D360 PolarHBondContact O-N 3.34Å; Y351-D360 VanDerWaalsContact O-N 3.07Å
352	A	38.9	Very low	40.5	Very low	67 Å²	67	99 Å²	99	55%	0.554	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.5	123.2	178.4	0	0	0	0	0	110	Y359	A352-Y359 HydrophobicContact CB-CD1 3.76Å; A352-Y359 HydrophobicContact CB-CE1 3.58Å
353	N	41.7	Very low	40.5	Very low	82 Å²	82	98.7 Å²	98.7	44%	0.439	57%	0.569	S	S	.	*			trans	-89.3	121.8	177.9	-68.3	-28.1	0	0	0	109.5	G355	N353-G355 PolarHBondContact O-N 3.39Å; N353-G355 VanDerWaalsContact O-N 3.09Å
354	I	32	Very low	40.1	Very low	182 Å²	182	100.4 Å²	100.4	93%	0.933	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	96.1	-178.4	-56.7	177.3	0	0	0	109.2
355	G	43.9	Very low	39.6	Very low	78 Å²	78	103.7 Å²	103.7	80%	0.804	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.3	-25.3	173.9	0	0	0	0	0	114.6	N353	N353-G355 PolarHBondContact O-N 3.39Å; N353-G355 VanDerWaalsContact O-N 3.09Å
356	E	41.3	Very low	39.4	Very low	150 Å²	150	107.7 Å²	107.7	70%	0.701	59%	0.585	S	S	*	*	S	Bend	trans	-140.7	150.1	-178.9	-61.8	179.1	168.4	0	0	109	T358	E356-T358 PolarHBondContact O-N 3.07Å
357	D	39.4	Very low	38.9	Very low	156 Å²	156	107.1 Å²	107.1	83%	0.834	57%	0.571	S	S	*	*	S	Bend	trans	-76.8	56.2	179.5	-68.9	-42.9	0	0	0	112
358	T	36.5	Very low	38.9	Very low	35 Å²	35	110 Å²	110	22%	0.215	58%	0.58	C	S	.	*			trans	-131.3	148.5	-179.2	64.8	0	0	0	0	112.3	T334 E356	T334-T358 HydrophobicContact CG2-CG2 4.21Å; E356-T358 PolarHBondContact O-N 3.07Å
359	Y	38	Very low	38.7	Very low	125 Å²	125	112 Å²	112	49%	0.49	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	134.6	-178.6	-59.6	-87	0	0	0	110.3	V350 Y351 A352	V350-Y359 HydrophobicContact CG1-CD1 4.07Å; V350-Y359 HydrophobicContact CG1-CG 4.33Å; Y351-Y359 WeakPolarHBondContact O-CA 3.4Å; A352-Y359 HydrophobicContact CB-CD1 3.76Å; A352-Y359 HydrophobicContact CB-CE1 3.58Å
360	D	39.6	Very low	38.2	Very low	24 Å²	24	115.2 Å²	115.2	13%	0.128	63%	0.625	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	123.4	170.3	-87.6	-24.1	0	0	0	109.6	K330 Y351	K330-D360 IonicContact NZ-OD2 2.66Å; K330-D360 PolarHBondContact NZ-OD2 2.96Å; Y351-D360 PolarHBondContact N-O 3.12Å; Y351-D360 PolarHBondContact O-N 3.34Å; Y351-D360 VanDerWaalsContact O-N 3.07Å
361	I	41.1	Very low	37.7	Very low	58 Å²	58	114.6 Å²	114.6	30%	0.297	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	111.7	172	-57.1	176.8	0	0	0	108	C348	C348-I361 HydrophobicContact CB-CG2 4.1Å
362	V	42.3	Very low	36.9	Very low	83 Å²	83	112.6 Å²	112.6	50%	0.503	65%	0.654	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	108.3	173.1	-176.8	0	0	0	0	108.7
363	Q	38.3	Very low	36.7	Very low	157 Å²	157	115.1 Å²	115.1	73%	0.734	67%	0.668	S	S	*	*			trans	-71.9	130.1	169.2	-67.4	-176.5	0.7	0	0	109.3	K365	Q363-K365 PolarHBondContact O-N 3.33Å
364	M	36.2	Very low	36.3	Very low	142 Å²	142	121.2 Å²	121.2	70%	0.7	69%	0.691	S	S	*	*			trans	-74.4	120.2	168.3	-73.6	-170.3	173.3	0	0	109.2	E366	M364-E366 PolarHBondContact O-N 3.44Å
365	K	37.9	Very low	36.5	Very low	166 Å²	166	118.5 Å²	118.5	72%	0.722	69%	0.685	S	S	*	*			trans	-79.9	109.3	170.1	-171.4	-176.7	177.7	-123.2	0	108.6	Q363 D367	Q363-K365 PolarHBondContact O-N 3.33Å; K365-D367 IonicContact NZ-OD1 2.71Å; K365-D367 PolarHBondContact NZ-OD1 2.88Å; K365-D367 PolarHBondContact O-N 3.26Å
366	E	36.5	Very low	35.8	Very low	182 Å²	182	121.5 Å²	121.5	85%	0.85	68%	0.682	S	S	*	*			trans	-69.4	109.9	164.2	-65	-172.6	141.5	0	0	108	M364 P368	M364-E366 PolarHBondContact O-N 3.44Å; E366-P368 VanDerWaalsContact O-CD 3.3Å; E366-P368 WeakPolarHBondContact O-CD 3.48Å
367	D	32.7	Very low	35.3	Very low	121 Å²	121	123.5 Å²	123.5	65%	0.647	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74.8	120.8	178.3	-90.4	-37.3	0	0	0	111	K365 G369	K365-D367 IonicContact NZ-OD1 2.71Å; K365-D367 PolarHBondContact NZ-OD1 2.88Å; K365-D367 PolarHBondContact O-N 3.26Å; D367-G369 PolarHBondContact O-N 3.1Å
368	P	39.5	Very low	34.8	Very low	116 Å²	116	119.6 Å²	119.6	75%	0.753	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-68.4	126.4	170.8	-15.5	31.5	0	0	0	109.7	E366 E370	E366-P368 VanDerWaalsContact O-CD 3.3Å; E366-P368 WeakPolarHBondContact O-CD 3.48Å; P368-E370 PolarHBondContact O-N 3.13Å
369	G	35.8	Very low	34.8	Very low	87 Å²	87	127.4 Å²	127.4	90%	0.897	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.4	127.6	-166	0	0	0	0	0	116	D367	D367-G369 PolarHBondContact O-N 3.1Å
370	E	29.4	Very low	34.4	Very low	195 Å²	195	133.1 Å²	133.1	91%	0.911	74%	0.737	S	S	*	*			trans	-142.3	139.5	164.2	-172.7	174	-146.3	0	0	107.1	P368	P368-E370 PolarHBondContact O-N 3.13Å
371	G	27.9	Very low	33.8	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	76%	0.762	S	S	*	*			cis	155.3	94.9	-2.4	0	0	0	0	0	110
372	G	26.6	Very low	33.4	Very low	84 Å²	84	140.7 Å²	140.7	87%	0.866	79%	0.788	S	S	*	*			trans	157.1	79.6	175.9	0	0	0	0	0	117.7
373	S	33.4	Very low	32.8	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	80%	0.803	S	S	*	*			trans	-98.1	141.9	160.1	57.6	0	0	0	0	110.7
374	K	33.1	Very low	32.3	Very low	210 Å²	210	141.6 Å²	141.6	91%	0.913	81%	0.805	S	S	*	*			trans	-106.1	144.6	168.7	-85.5	-176.7	177.3	175.6	0	110.6
375	P	38.1	Very low	31.9	Very low	125 Å²	125	141.5 Å²	141.5	81%	0.812	81%	0.812	S	S	*	*			trans	-101.3	164.9	-157.6	38.7	-37.2	0	0	0	114.2
376	N	27.3	Very low	32.1	Very low	140 Å²	140	138.7 Å²	138.7	75%	0.749	81%	0.811	S	S	*	*			trans	-132	105.7	152.6	-161.4	5.5	0	0	0	111.3
377	K	31.7	Very low	31.8	Very low	193 Å²	193	140.1 Å²	140.1	84%	0.839	81%	0.814	S	S	*	*			trans	34.3	116.3	155.4	-61.3	169.7	-172.8	171.5	0	119.2
378	G	29.6	Very low	31.5	Very low	73 Å²	73	144 Å²	144	75%	0.753	83%	0.825	S	S	*	*			trans	179.5	41.1	161.6	0	0	0	0	0	122.9
379	K	34.9	Very low	30.8	Very low	199 Å²	199	142.5 Å²	142.5	87%	0.865	82%	0.823	S	S	*	*			trans	51	118.1	156.7	-59.6	173.4	-177.3	173.8	0	119.5
380	R	30.7	Very low	30.3	Very low	246 Å²	246	147.8 Å²	147.8	93%	0.928	82%	0.821	S	S	*	*				48.2	140.5	126.2	-68.2	-177.6	170.6	179.5	-3.9	120.8
381	A	27.3	Very low	30.1	Very low	78 Å²	78	144.6 Å²	144.6	65%	0.645	81%	0.811	S	S	*	*			cis	-173.9	167.7	-11	0	0	0	0	0	110.2
382	L	31.9	Very low	30.2	Very low	163 Å²	163	150.1 Å²	150.1	85%	0.853	82%	0.817	S	S	*	*			trans	67.9	157.5	162.2	-57.5	171.7	0	0	0	117.2
383	M	29.6	Very low	30.2	Very low	167 Å²	167	152.6 Å²	152.6	82%	0.823	82%	0.815	S	S	*	*			cis	-166.9	158.9	-41.9	-113.1	-58.1	-178.9	0	0	108.7
384	A	29.3	Very low	30.1	Very low	92 Å²	92	152.2 Å²	152.2	76%	0.76	81%	0.809	S	S	*	*			trans	67.4	154.8	158.9	0	0	0	0	0	120.6
385	T	26.6	Very low	29.8	Very low	139 Å²	139	150.2 Å²	150.2	85%	0.853	81%	0.808	S	S	*	*			trans	-126	-154.2	-177.7	48.5	0	0	0	0	110
386	P	43.3	Very low	29.2	Very low	108 Å²	108	149.4 Å²	149.4	70%	0.701	81%	0.805	S	S	*	*				-121	179.8	-97.1	40	-24.5	0	0	0	113.7
387	K	28.5	Very low	29.4	Very low	212 Å²	212	148.7 Å²	148.7	92%	0.922	81%	0.808	S	S	*	*			trans	-170.1	161.6	144.8	-105.1	145.7	-167	176.4	0	116.6
388	K	27.8	Very low	29.2	Very low	202 Å²	202	145.7 Å²	145.7	88%	0.878	81%	0.806	S	S	*	*			trans	-68.5	168.7	171.1	-81.3	179.1	177.4	-178.6	0	112.4
389	A	24.1	Very low	29.2	Very low	85 Å²	85	150.2 Å²	150.2	70%	0.702	81%	0.812	S	S	*	*			cis	-173.2	-154.2	-13	0	0	0	0	0	109.1
390	F	25.7	Very low	29	Very low	198 Å²	198	146.1 Å²	146.1	87%	0.868	81%	0.809	S	S	*	*			trans	100.6	152.9	167.3	-91.3	-84.3	0	0	0	120.2
391	D	25.5	Very low	29.1	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	80%	0.798	S	S	*	*			trans	-83.7	159.5	-160.5	-51.5	-88.3	0	0	0	115.8
392	Q	29.6	Very low	29.8	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	81%	0.809	S	S	*	*				-172.8	161.5	111.7	-100.1	167.4	44.7	0	0	112.4
393	T	25.9	Very low	30	Very low	135 Å²	135	146.7 Å²	146.7	83%	0.828	81%	0.809	S	S	*	*			trans	-125.6	132.9	172.7	-57.8	0	0	0	0	109.1
394	P	32.8	Very low	30.8	Very low	113 Å²	113	147.7 Å²	147.7	73%	0.734	81%	0.809	S	S	*	*			trans	-142.6	133.8	135.3	34	-18.9	0	0	0	114.7
395	L	26.5	Very low	31.2	Very low	169 Å²	169	152.9 Å²	152.9	89%	0.885	81%	0.814	S	S	*	*			trans	58.8	146.8	146.6	-65.2	166.6	0	0	0	121
396	S	25.8	Very low	31.4	Very low	108 Å²	108	153.2 Å²	153.2	76%	0.755	81%	0.811	S	S	*	*			trans	-81.9	157.3	178.5	50.6	0	0	0	0	112.7
397	P	31	Very low	31.4	Very low	124 Å²	124	155.8 Å²	155.8	81%	0.805	81%	0.811	S	S	*	*				-129.1	173.4	108.3	38	-33.7	0	0	0	113.9	L399	P397-L399 PolarHBondContact O-N 3.23Å
398	T	27.7	Very low	32	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	81%	0.805	S	S	*	*			trans	-69.4	119.7	-179.7	44.4	0	0	0	0	113.6
399	L	28.1	Very low	32.8	Very low	168 Å²	168	151 Å²	151	88%	0.88	80%	0.797	S	S	*	*			trans	-161	141.8	130.3	-128.3	107.4	0	0	0	109.6	P397 P401	P397-L399 PolarHBondContact O-N 3.23Å; L399-P401 WeakPolarHBondContact O-CD 3.41Å
400	S	31.9	Very low	34.2	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	79%	0.793	S	S	*	*			trans	-92	113.4	-173.7	53.4	0	0	0	0	112.8
401	P	33.3	Very low	36.2	Very low	109 Å²	109	149 Å²	149	71%	0.708	78%	0.783	S	S	*	*			trans	-83.3	131.1	169.9	-0.3	20.3	0	0	0	109.5	L399 R403	L399-P401 WeakPolarHBondContact O-CD 3.41Å; P401-R403 PolarHBondContact O-N 3.5Å
402	N	41.5	Very low	38.5	Very low	163 Å²	163	145.1 Å²	145.1	87%	0.872	76%	0.762	S	S	*	*			trans	-71.1	76.7	177.5	-170.6	-2.6	0	0	0	111.3	K404	N402-K404 PolarHBondContact O-N 3.37Å; N402-K404 VanDerWaalsContact O-N 3.14Å
403	R	36.2	Very low	41.1	Very low	228 Å²	228	138.4 Å²	138.4	86%	0.86	73%	0.731	S	S	*	*			trans	-70.3	106.3	173.2	-88.5	-173.3	166	-178.2	-3.5	109.1	P401 K405	P401-R403 PolarHBondContact O-N 3.5Å; R403-K405 PolarHBondContact O-N 3.49Å
404	K	45.5	Very low	44	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	71%	0.709	S	S	*	*			trans	-37.7	115	164	-64.9	179.4	178.7	-178.7	0	109.1	N402 N406	N402-K404 PolarHBondContact O-N 3.37Å; N402-K404 VanDerWaalsContact O-N 3.14Å; K404-N406 PolarHBondContact O-N 3.02Å
405	K	37.7	Very low	46.8	Very low	201 Å²	201	136.8 Å²	136.8	87%	0.874	70%	0.7	S	S	*	*			trans	-65.7	106.4	169	-82	-172.7	174.2	-176.5	0	106.9	R403 K407	R403-K405 PolarHBondContact O-N 3.49Å; K405-K407 PolarHBondContact O-N 3.46Å
406	N	31	Very low	49.7	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	68%	0.677	S	S	*	*			trans	-53.1	125.6	165.1	-76.2	-5.7	0	0	0	107.3	K404 M408	K404-N406 PolarHBondContact O-N 3.02Å; N406-M408 PolarHBondContact O-N 2.85Å
407	K	43	Very low	52.7	Low	163 Å²	163	132.6 Å²	132.6	71%	0.709	67%	0.669	S	S	*	*			trans	-71	66.3	169.1	-174.5	-153	163.6	-135.1	0	108.4	K405 E409	K405-K407 PolarHBondContact O-N 3.46Å; K407-E409 IonicContact NZ-OE1 2.73Å; K407-E409 PolarHBondContact NZ-OE1 3.4Å; K407-E409 PolarHBondContact O-N 2.98Å
408	M	40.5	Very low	54.9	Low	161 Å²	161	131.3 Å²	131.3	79%	0.793	65%	0.653	S	S	*	*			trans	-62	124.8	162	-167.9	171.7	83.4	0	0	105.9	N406 L410	N406-M408 PolarHBondContact O-N 2.85Å; M408-L410 PolarHBondContact O-N 2.81Å
409	E	46.4	Very low	57.4	Low	151 Å²	151	132.2 Å²	132.2	71%	0.706	65%	0.653	S	S	*	*			trans	-72.4	101.4	-175.5	-61.3	-166.7	128.2	0	0	108.4	K407 D411	K407-E409 IonicContact NZ-OE1 2.73Å; K407-E409 PolarHBondContact NZ-OE1 3.4Å; K407-E409 PolarHBondContact O-N 2.98Å; E409-D411 PolarHBondContact O-N 3.01Å
410	L	52.5	Low	60.1	Low	121 Å²	121	127.9 Å²	127.9	63%	0.634	65%	0.649	S	S	*	*			trans	-71.7	119.2	168.9	-159.3	67.1	0	0	0	106.2	M408 D412	M408-L410 PolarHBondContact O-N 2.81Å; L410-D412 WeakPolarHBondContact CD2-OD1 3.2Å; L410-D412 WeakPolarHBondContact CG-OD1 3.5Å; L410-D412 PolarHBondContact O-N 3.33Å
411	D	68.5	Low	62.7	Low	122 Å²	122	128.7 Å²	128.7	65%	0.652	64%	0.639	S	S	*	*			trans	-75.3	62.8	-176.1	-172.4	30.4	0	0	0	111.2	E409 H413	E409-D411 PolarHBondContact O-N 3.01Å; D411-H413 PolarHBondContact O-N 2.91Å; D411-H413 VanDerWaalsContact OD1-O 3.07Å
412	D	73.7	Confident	65.2	Low	46 Å²	46	126.3 Å²	126.3	25%	0.246	62%	0.622	C	S	.	*			trans	-67.4	-12.1	-179.5	-66	-22.8	0	0	0	112	L410 A427 F443	L410-D412 WeakPolarHBondContact CD2-OD1 3.2Å; L410-D412 WeakPolarHBondContact CG-OD1 3.5Å; L410-D412 PolarHBondContact O-N 3.33Å; D412-A427 PolarHBondContact O-N 3.34Å; D412-F443 HydrophobicContact CB-CD1 4.43Å; D412-F443 HydrophobicContact CB-CD2 3.94Å; D412-F443 HydrophobicContact CB-CE1 4.15Å; D412-F443 HydrophobicContact CB-CE2 3.63Å; D412-F443 HydrophobicContact CB-CG 4.33Å; D412-F443 HydrophobicContact CB-CZ 3.75Å; D412-F443 VanDerWaalsContact CG-CE1 3.43Å; D412-F443 WeakPolarHBondContact OD1-CE1 3.24Å; D412-F443 WeakPolarHBondContact OD1-CZ 3.39Å; D412-F443 WeakPolarHBondContact OD2-CE1 3.48Å
413	H	83.6	Confident	67.5	Low	48 Å²	48	121 Å²	121	22%	0.222	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-166.5	143.6	-172	65.4	-49.3	0	0	0	114.5	D411 Y424 V425 I436 L439	D411-H413 PolarHBondContact O-N 2.91Å; D411-H413 VanDerWaalsContact OD1-O 3.07Å; H413-Y424 AromaticContact CD2-CD1 3.92Å; H413-V425 WeakPolarHBondContact CA-O 3.27Å; H413-V425 VanDerWaalsContact CB-O 3.28Å; H413-V425 WeakPolarHBondContact CB-O 3.41Å; H413-I436 WeakPolarHBondContact NE2-CD1 3.47Å; H413-L439 HydrophobicContact CB-CD1 4.24Å; H413-L439 HydrophobicContact CB-CD2 3.25Å; H413-L439 HydrophobicContact CB-CG 4.3Å; H413-L439 WeakPolarHBondContact CD2-CD2 3.48Å
414	Y	87.4	Confident	70.1	Confident	98 Å²	98	112.3 Å²	112.3	38%	0.384	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	152.5	169.3	56.3	-86.4	0	0	0	111	V425	Y414-V425 HydrophobicContact CD1-CB 4.45Å; Y414-V425 HydrophobicContact CD2-CB 3.96Å; Y414-V425 HydrophobicContact CD2-CG2 4.29Å; Y414-V425 HydrophobicContact CE1-CB 4.14Å; Y414-V425 HydrophobicContact CE1-CG1 4Å; Y414-V425 HydrophobicContact CE2-CB 3.62Å; Y414-V425 HydrophobicContact CE2-CG1 3.82Å; Y414-V425 HydrophobicContact CE2-CG2 3.95Å; Y414-V425 HydrophobicContact CG-CB 4.37Å; Y414-V425 VanDerWaalsContact CZ-CG1 3.48Å; Y414-V425 PolarHBondContact N-O 3.33Å; Y414-V425 VanDerWaalsContact N-O 3.1Å; Y414-V425 PolarHBondContact O-N 2.84Å; Y414-V425 WeakPolarHBondContact OH-CG1 3.27Å
415	E	90.8	Very high	72.1	Confident	116 Å²	116	103.6 Å²	103.6	54%	0.542	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.8	173	-64.8	-170.7	-174.7	0	0	111.3	F423 Y424	E415-F423 WeakPolarHBondContact CA-O 3.24Å; E415-Y424 HydrophobicContact CG-CD1 4.02Å; E415-Y424 HydrophobicContact CG-CE1 4.13Å; E415-Y424 WeakPolarHBondContact OE1-CE1 3.46Å
416	L	88.1	Confident	74.7	Confident	76 Å²	76	94 Å²	94	40%	0.398	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.5	174.5	178.5	67.3	0	0	0	108.5	M418 F423 V425	L416-M418 HydrophobicContact CD1-SD 4.16Å; L416-M418 HydrophobicContact CD2-CG 4.21Å; L416-M418 HydrophobicContact CD2-SD 4.3Å; L416-M418 HydrophobicContact CG-CG 4.1Å; L416-M418 HydrophobicContact CG-SD 4.11Å; L416-F423 PolarHBondContact N-O 3.37Å; L416-F423 PolarHBondContact O-N 2.93Å; L416-V425 HydrophobicContact CB-CG2 3.68Å; L416-V425 HydrophobicContact CD2-CG2 4.23Å
417	I	88.3	Confident	77.4	Confident	114 Å²	114	89 Å²	89	59%	0.585	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.4	178.6	-56.4	178.7	0	0	0	108.9	K421 T422	I417-K421 WeakPolarHBondContact CA-O 3.27Å; I417-T422 HydrophobicContact CD1-CG2 4.31Å; I417-T422 HydrophobicContact CG1-CG2 3.93Å
418	M	76.9	Confident	79.4	Confident	96 Å²	96	85.7 Å²	85.7	47%	0.473	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.6	173.4	-54.4	-61.1	-58.9	0	0	108.5	L416 G420 K421 F423	L416-M418 HydrophobicContact CD1-SD 4.16Å; L416-M418 HydrophobicContact CD2-CG 4.21Å; L416-M418 HydrophobicContact CD2-SD 4.3Å; L416-M418 HydrophobicContact CG-CG 4.1Å; L416-M418 HydrophobicContact CG-SD 4.11Å; M418-G420 PolarHBondContact O-N 3.37Å; M418-G420 VanDerWaalsContact O-N 3.13Å; M418-K421 PolarHBondContact N-O 3.19Å; M418-K421 WeakPolarHBondContact O-CB 3.15Å; M418-K421 PolarHBondContact O-N 2.9Å; M418-F423 HydrophobicContact CB-CD2 4.36Å; M418-F423 HydrophobicContact CB-CE2 4.02Å; M418-F423 HydrophobicContact CG-CD2 4.46Å
419	D	81.1	Confident	81.6	Confident	150 Å²	150	80.1 Å²	80.1	80%	0.802	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	40.6	176.9	-49.3	-25.7	0	0	0	114.4	K421	D419-K421 VanDerWaalsContact C-N 3.26Å; D419-K421 PolarHBondContact O-N 2.62Å
420	G	84.4	Confident	83.6	Confident	78 Å²	78	80.3 Å²	80.3	80%	0.804	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	10	-177.9	0	0	0	0	0	115.4	M418	M418-G420 PolarHBondContact O-N 3.37Å; M418-G420 VanDerWaalsContact O-N 3.13Å
421	K	85.8	Confident	85.2	Confident	129 Å²	129	82 Å²	82	56%	0.561	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.4	179.9	-64.9	160.6	-170.8	156.3	0	110.5	I417 M418 D419 F423	I417-K421 WeakPolarHBondContact CA-O 3.27Å; M418-K421 PolarHBondContact N-O 3.19Å; M418-K421 WeakPolarHBondContact O-CB 3.15Å; M418-K421 PolarHBondContact O-N 2.9Å; D419-K421 VanDerWaalsContact C-N 3.26Å; D419-K421 PolarHBondContact O-N 2.62Å; K421-F423 HydrophobicContact CB-CE2 3.8Å; K421-F423 HydrophobicContact CB-CZ 4.28Å; K421-F423 WeakPolarHBondContact O-CD2 3.09Å
422	T	87.1	Confident	86.2	Confident	59 Å²	59	79.8 Å²	79.8	36%	0.362	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.4	172.1	42.1	0	0	0	0	111	I417	I417-T422 HydrophobicContact CD1-CG2 4.31Å; I417-T422 HydrophobicContact CG1-CG2 3.93Å
423	F	90.2	Very high	87	Confident	51 Å²	51	79.9 Å²	79.9	22%	0.224	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.2	172.2	-63.6	-95.6	0	0	0	109.2	E415 L416 M418 K421 P432 V434	E415-F423 WeakPolarHBondContact CA-O 3.24Å; L416-F423 PolarHBondContact N-O 3.37Å; L416-F423 PolarHBondContact O-N 2.93Å; M418-F423 HydrophobicContact CB-CD2 4.36Å; M418-F423 HydrophobicContact CB-CE2 4.02Å; M418-F423 HydrophobicContact CG-CD2 4.46Å; K421-F423 HydrophobicContact CB-CE2 3.8Å; K421-F423 HydrophobicContact CB-CZ 4.28Å; K421-F423 WeakPolarHBondContact O-CD2 3.09Å; F423-P432 HydrophobicContact CB-CB 4.2Å; F423-P432 HydrophobicContact CD1-CB 4.47Å; F423-V434 HydrophobicContact CD1-CG2 4.22Å; F423-V434 HydrophobicContact CE1-CG2 3.97Å
424	Y	89.7	Confident	87.3	Confident	46 Å²	46	82.6 Å²	82.6	18%	0.18	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.7	179.3	-55.4	-90	0	0	0	108.7	H413 E415 Y433 I436	H413-Y424 AromaticContact CD2-CD1 3.92Å; E415-Y424 HydrophobicContact CG-CD1 4.02Å; E415-Y424 HydrophobicContact CG-CE1 4.13Å; E415-Y424 WeakPolarHBondContact OE1-CE1 3.46Å; Y424-Y433 PolarHBondContact N-O 3.49Å; Y424-Y433 PolarHBondContact O-N 2.97Å; Y424-I436 HydrophobicContact CD1-CB 4.02Å; Y424-I436 HydrophobicContact CD1-CD1 4.44Å; Y424-I436 HydrophobicContact CD1-CG1 4.29Å; Y424-I436 HydrophobicContact CD2-CB 4.28Å; Y424-I436 HydrophobicContact CE1-CB 4.06Å; Y424-I436 HydrophobicContact CE1-CD1 4.41Å; Y424-I436 HydrophobicContact CE2-CB 4.35Å; Y424-I436 HydrophobicContact CG-CB 4.13Å
425	V	88.4	Confident	87.2	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.03	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.6	-171.8	-170.2	0	0	0	0	110.4	H413 Y414 L416 A427 R431 P432	H413-V425 WeakPolarHBondContact CA-O 3.27Å; H413-V425 VanDerWaalsContact CB-O 3.28Å; H413-V425 WeakPolarHBondContact CB-O 3.41Å; Y414-V425 HydrophobicContact CD1-CB 4.45Å; Y414-V425 HydrophobicContact CD2-CB 3.96Å; Y414-V425 HydrophobicContact CD2-CG2 4.29Å; Y414-V425 HydrophobicContact CE1-CB 4.14Å; Y414-V425 HydrophobicContact CE1-CG1 4Å; Y414-V425 HydrophobicContact CE2-CB 3.62Å; Y414-V425 HydrophobicContact CE2-CG1 3.82Å; Y414-V425 HydrophobicContact CE2-CG2 3.95Å; Y414-V425 HydrophobicContact CG-CB 4.37Å; Y414-V425 VanDerWaalsContact CZ-CG1 3.48Å; Y414-V425 PolarHBondContact N-O 3.33Å; Y414-V425 VanDerWaalsContact N-O 3.1Å; Y414-V425 PolarHBondContact O-N 2.84Å; Y414-V425 WeakPolarHBondContact OH-CG1 3.27Å; L416-V425 HydrophobicContact CB-CG2 3.68Å; L416-V425 HydrophobicContact CD2-CG2 4.23Å; V425-A427 PolarHBondContact O-N 3.13Å; V425-R431 WeakPolarHBondContact CA-O 3.42Å; V425-P432 HydrophobicContact CG2-CB 4.17Å
426	C	91.1	Very high	86.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.5	-178.9	-179.3	0	0	0	0	111.8	V428 C429 K430 R431 Y433 L439	C426-V428 VanDerWaalsContact C-N 3.28Å; C426-V428 PolarHBondContact O-N 3.43Å; C426-C429 PolarHBondContact O-N 2.92Å; C426-K430 VanDerWaalsContact O-CA 3.27Å; C426-K430 WeakPolarHBondContact O-CA 3.31Å; C426-K430 PolarHBondContact O-N 3.3Å; C426-R431 PolarHBondContact N-O 2.83Å; C426-Y433 HydrophobicContact CB-CE2 4.49Å; C426-L439 HydrophobicContact CB-CD1 3.5Å
427	A	87.4	Confident	86.7	Confident	40 Å²	40	77.9 Å²	77.9	33%	0.331	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-38	-177.3	0	0	0	0	0	113.1	D412 V425	D412-A427 PolarHBondContact O-N 3.34Å; V425-A427 PolarHBondContact O-N 3.13Å
428	V	84.8	Confident	86.5	Confident	93 Å²	93	74.1 Å²	74.1	56%	0.564	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-37.1	-174.9	-178.7	0	0	0	0	113.3	C426 F443 H446	C426-V428 VanDerWaalsContact C-N 3.28Å; C426-V428 PolarHBondContact O-N 3.43Å; V428-F443 HydrophobicContact CG2-CE2 3.93Å; V428-H446 HydrophobicContact CB-CB 4.43Å; V428-H446 HydrophobicContact CG1-CB 4.14Å; V428-H446 HydrophobicContact CG2-CB 4.34Å
429	C	87.6	Confident	87	Confident	44 Å²	44	69.7 Å²	69.7	30%	0.297	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-1.4	-170.2	72.8	0	0	0	0	115	C426 R431 H442	C426-C429 PolarHBondContact O-N 2.92Å; C429-R431 HydrophobicContact CB-CG 4.45Å; C429-R431 PolarHBondContact O-N 3.2Å; C429-R431 VanDerWaalsContact O-N 3.12Å; C429-H442 PolarHBondContact SG-NE2 3Å
430	K	88.2	Confident	87	Confident	154 Å²	154	69.7 Å²	69.7	67%	0.67	38%	0.377	S	S	*	.			trans	53.8	24.9	-178.6	-54.5	-169.3	178.6	-170.2	0	115.2	C426	C426-K430 VanDerWaalsContact O-CA 3.27Å; C426-K430 WeakPolarHBondContact O-CA 3.31Å; C426-K430 PolarHBondContact O-N 3.3Å
431	R	87.1	Confident	86.8	Confident	156 Å²	156	71.4 Å²	71.4	59%	0.589	36%	0.359	S	S	*	.			trans	-83.3	127.9	174.2	-65.8	-179.4	108.1	98.1	0.4	110.5	V425 C426 C429 Y433	V425-R431 WeakPolarHBondContact CA-O 3.42Å; C426-R431 PolarHBondContact N-O 2.83Å; C429-R431 HydrophobicContact CB-CG 4.45Å; C429-R431 PolarHBondContact O-N 3.2Å; C429-R431 VanDerWaalsContact O-N 3.12Å; R431-Y433 HydrophobicContact CB-CE2 3.76Å; R431-Y433 WeakPolarHBondContact O-CD2 3.5Å; R431-Y433 WeakPolarHBondContact O-CE2 3.29Å
432	P	89.1	Confident	86.7	Confident	77 Å²	77	66.9 Å²	66.9	50%	0.5	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.5	174.5	32.2	-34.6	0	0	0	112.1	F423 V425	F423-P432 HydrophobicContact CB-CB 4.2Å; F423-P432 HydrophobicContact CD1-CB 4.47Å; V425-P432 HydrophobicContact CG2-CB 4.17Å
433	Y	89.6	Confident	86.4	Confident	47 Å²	47	65.7 Å²	65.7	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136	174.8	-66.6	-86.6	0	0	0	110.4	Y424 C426 R431 C435 L439 H442	Y424-Y433 PolarHBondContact N-O 3.49Å; Y424-Y433 PolarHBondContact O-N 2.97Å; C426-Y433 HydrophobicContact CB-CE2 4.49Å; R431-Y433 HydrophobicContact CB-CE2 3.76Å; R431-Y433 WeakPolarHBondContact O-CD2 3.5Å; R431-Y433 WeakPolarHBondContact O-CE2 3.29Å; Y433-C435 PolarHBondContact O-N 2.94Å; Y433-L439 HydrophobicContact CD2-CB 4.05Å; Y433-L439 HydrophobicContact CD2-CD1 3.92Å; Y433-L439 HydrophobicContact CE2-CD1 4.35Å; Y433-L439 HydrophobicContact CG-CB 4.1Å; Y433-H442 HydrophobicContact CE1-CB 4.15Å; Y433-H442 HydrophobicContact CE2-CB 4.18Å; Y433-H442 AromaticContact CE2-CD2 3.56Å; Y433-H442 AromaticContact CZ-CD2 3.55Å; Y433-H442 AromaticContact CZ-CG 3.67Å; Y433-H442 PolarHBondContact OH-CD2 2.78Å
434	V	89.6	Confident	85.9	Confident	105 Å²	105	65.2 Å²	65.2	64%	0.636	33%	0.33	S	S	*	.	S	Bend	trans	-66.9	-27.1	178.3	-174.5	0	0	0	0	112.2	F423	F423-V434 HydrophobicContact CD1-CG2 4.22Å; F423-V434 HydrophobicContact CE1-CG2 3.97Å
435	C	86.4	Confident	85.2	Confident	61 Å²	61	65.8 Å²	65.8	41%	0.412	34%	0.338	S	S	.	.	S	Bend	trans	-130.4	133.1	-177.7	-49.8	0	0	0	0	111.4	Y433 T437 S438 L439	Y433-C435 PolarHBondContact O-N 2.94Å; C435-T437 PolarHBondContact O-N 3.38Å; C435-T437 VanDerWaalsContact O-N 3.1Å; C435-S438 PolarHBondContact O-N 3.45Å; C435-L439 PolarHBondContact O-N 2.97Å; C435-L439 VanDerWaalsContact O-N 3.13Å
436	I	84.1	Confident	84.7	Confident	50 Å²	50	68.1 Å²	68.1	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-54	-29.5	174.8	-165.7	171.2	0	0	0	113.1	H413 Y424 L439 R440	H413-I436 WeakPolarHBondContact NE2-CD1 3.47Å; Y424-I436 HydrophobicContact CD1-CB 4.02Å; Y424-I436 HydrophobicContact CD1-CD1 4.44Å; Y424-I436 HydrophobicContact CD1-CG1 4.29Å; Y424-I436 HydrophobicContact CD2-CB 4.28Å; Y424-I436 HydrophobicContact CE1-CB 4.06Å; Y424-I436 HydrophobicContact CE1-CD1 4.41Å; Y424-I436 HydrophobicContact CE2-CB 4.35Å; Y424-I436 HydrophobicContact CG-CB 4.13Å; I436-L439 HydrophobicContact CG1-CD2 4.45Å; I436-L439 WeakPolarHBondContact O-CB 3.41Å; I436-L439 PolarHBondContact O-N 3.35Å; I436-R440 WeakPolarHBondContact O-CG 3.44Å; I436-R440 PolarHBondContact O-N 3.16Å
437	T	83.7	Confident	83.7	Confident	81 Å²	81	70.4 Å²	70.4	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-38.4	174.3	53.4	0	0	0	0	113	C435 R441	C435-T437 PolarHBondContact O-N 3.38Å; C435-T437 VanDerWaalsContact O-N 3.1Å; T437-R441 VanDerWaalsContact O-CB 3.26Å; T437-R441 WeakPolarHBondContact O-CB 3.5Å; T437-R441 PolarHBondContact O-N 3.09Å; T437-R441 VanDerWaalsContact O-N 3.08Å
438	S	85.4	Confident	82.5	Confident	35 Å²	35	77.5 Å²	77.5	25%	0.245	38%	0.383	C	S	.	.	H	α-helix	trans	-76	-32.2	175.6	-78.7	0	0	0	0	112.2	C435 R441 H442	C435-S438 PolarHBondContact O-N 3.45Å; S438-R441 PolarHBondContact OG-NH2 3.21Å; S438-R441 VanDerWaalsContact OG-NH2 3.08Å; S438-H442 PolarHBondContact O-N 3.31Å
439	L	85.8	Confident	81.5	Confident	3 Å²	3	77.4 Å²	77.4	2%	0.016	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-54.7	168.6	166.4	69.7	0	0	0	111.6	H413 C426 Y433 C435 I436 R441 H442 F443	H413-L439 HydrophobicContact CB-CD1 4.24Å; H413-L439 HydrophobicContact CB-CD2 3.25Å; H413-L439 HydrophobicContact CB-CG 4.3Å; H413-L439 WeakPolarHBondContact CD2-CD2 3.48Å; C426-L439 HydrophobicContact CB-CD1 3.5Å; Y433-L439 HydrophobicContact CD2-CB 4.05Å; Y433-L439 HydrophobicContact CD2-CD1 3.92Å; Y433-L439 HydrophobicContact CE2-CD1 4.35Å; Y433-L439 HydrophobicContact CG-CB 4.1Å; C435-L439 PolarHBondContact O-N 2.97Å; C435-L439 VanDerWaalsContact O-N 3.13Å; I436-L439 HydrophobicContact CG1-CD2 4.45Å; I436-L439 WeakPolarHBondContact O-CB 3.41Å; I436-L439 PolarHBondContact O-N 3.35Å; L439-R441 VanDerWaalsContact C-N 3.27Å; L439-R441 PolarHBondContact O-N 3.28Å; L439-H442 CarbonylContact O-C 3.47Å; L439-H442 WeakPolarHBondContact O-CA 3.49Å; L439-H442 WeakPolarHBondContact O-CB 3.36Å; L439-H442 PolarHBondContact O-N 3.09Å; L439-F443 PolarHBondContact O-N 3.44Å
440	R	82.1	Confident	80.2	Confident	150 Å²	150	81.1 Å²	81.1	57%	0.566	39%	0.388	S	S	*	.	H	α-helix	trans	-56.3	-43.7	178.5	-72.6	179.5	-172.4	177.9	4.8	111.1	I436 H442 F443 N444	I436-R440 WeakPolarHBondContact O-CG 3.44Å; I436-R440 PolarHBondContact O-N 3.16Å; R440-H442 VanDerWaalsContact C-N 3.26Å; R440-H442 PolarHBondContact O-N 2.92Å; R440-F443 PolarHBondContact O-N 3.41Å; R440-F443 VanDerWaalsContact O-N 3.09Å; R440-N444 PolarHBondContact O-N 2.79Å; R440-N444 PolarHBondContact O-OD1 3.38Å
441	R	80.6	Confident	79.5	Confident	113 Å²	113	79.8 Å²	79.8	43%	0.426	38%	0.382	S	S	.	.	H	α-helix	trans	-57.7	-35.4	172.8	-178.2	171.7	60	164	-7.3	113.1	T437 S438 L439 L463 E465	T437-R441 VanDerWaalsContact O-CB 3.26Å; T437-R441 WeakPolarHBondContact O-CB 3.5Å; T437-R441 PolarHBondContact O-N 3.09Å; T437-R441 VanDerWaalsContact O-N 3.08Å; S438-R441 PolarHBondContact OG-NH2 3.21Å; S438-R441 VanDerWaalsContact OG-NH2 3.08Å; L439-R441 VanDerWaalsContact C-N 3.27Å; L439-R441 PolarHBondContact O-N 3.28Å; R441-L463 HydrophobicContact CG-CD2 3.37Å; R441-L463 HydrophobicContact CG-CG 4.03Å; R441-E465 IonicContact NH1-OE2 2.65Å; R441-E465 PolarHBondContact NH1-OE2 2.97Å; R441-E465 VanDerWaalsContact NH1-OE2 3.16Å
442	H	83.5	Confident	79	Confident	34 Å²	34	75.4 Å²	75.4	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-75	-39.6	171.9	175.2	48.8	0	0	0	112.6	C429 Y433 S438 L439 R440 N444 T445 H446	C429-H442 PolarHBondContact SG-NE2 3Å; Y433-H442 HydrophobicContact CE1-CB 4.15Å; Y433-H442 HydrophobicContact CE2-CB 4.18Å; Y433-H442 AromaticContact CE2-CD2 3.56Å; Y433-H442 AromaticContact CZ-CD2 3.55Å; Y433-H442 AromaticContact CZ-CG 3.67Å; Y433-H442 PolarHBondContact OH-CD2 2.78Å; S438-H442 PolarHBondContact O-N 3.31Å; L439-H442 CarbonylContact O-C 3.47Å; L439-H442 WeakPolarHBondContact O-CA 3.49Å; L439-H442 WeakPolarHBondContact O-CB 3.36Å; L439-H442 PolarHBondContact O-N 3.09Å; R440-H442 VanDerWaalsContact C-N 3.26Å; R440-H442 PolarHBondContact O-N 2.92Å; H442-N444 VanDerWaalsContact C-N 3.26Å; H442-N444 PolarHBondContact O-N 3.43Å; H442-T445 PolarHBondContact CE1-OG1 2.91Å; H442-T445 PolarHBondContact ND1-OG1 3.17Å; H442-T445 WeakPolarHBondContact O-CA 3.45Å; H442-T445 VanDerWaalsContact O-CB 3.31Å; H442-T445 WeakPolarHBondContact O-CB 3.49Å; H442-T445 PolarHBondContact O-N 3.49Å; H442-T445 PolarHBondContact O-OG1 2.83Å; H442-H446 AromaticContact CD2-NE2 3.76Å; H442-H446 AromaticContact CE1-CE1 3.8Å; H442-H446 AromaticContact CE1-NE2 3.37Å; H442-H446 PolarHBondContact CE1-NE2 3.26Å; H442-H446 AromaticContact NE2-CD2 3.88Å; H442-H446 AromaticContact NE2-CE1 3.7Å; H442-H446 AromaticContact NE2-NE2 2.93Å; H442-H446 PolarHBondContact NE2-NE2 3.2Å
443	F	80.8	Confident	78.6	Confident	35 Å²	35	75 Å²	75	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-33	-176.5	-166.2	-99.9	0	0	0	113.3	D412 V428 L439 R440 T445 H446 S447	D412-F443 HydrophobicContact CB-CD1 4.43Å; D412-F443 HydrophobicContact CB-CD2 3.94Å; D412-F443 HydrophobicContact CB-CE1 4.15Å; D412-F443 HydrophobicContact CB-CE2 3.63Å; D412-F443 HydrophobicContact CB-CG 4.33Å; D412-F443 HydrophobicContact CB-CZ 3.75Å; D412-F443 VanDerWaalsContact CG-CE1 3.43Å; D412-F443 WeakPolarHBondContact OD1-CE1 3.24Å; D412-F443 WeakPolarHBondContact OD1-CZ 3.39Å; D412-F443 WeakPolarHBondContact OD2-CE1 3.48Å; V428-F443 HydrophobicContact CG2-CE2 3.93Å; L439-F443 PolarHBondContact O-N 3.44Å; R440-F443 PolarHBondContact O-N 3.41Å; R440-F443 VanDerWaalsContact O-N 3.09Å; F443-T445 PolarHBondContact O-N 3.29Å; F443-H446 PolarHBondContact O-N 2.87Å; F443-S447 PolarHBondContact O-N 3.28Å
444	N	78.4	Confident	78.4	Confident	40 Å²	40	73.3 Å²	73.3	21%	0.214	36%	0.358	C	S	.	.	H	α-helix	trans	-52.3	-21.2	168.2	-72	23.1	0	0	0	114	R440 H442 W448 A462 L463	R440-N444 PolarHBondContact O-N 2.79Å; R440-N444 PolarHBondContact O-OD1 3.38Å; H442-N444 VanDerWaalsContact C-N 3.26Å; H442-N444 PolarHBondContact O-N 3.43Å; N444-W448 PolarHBondContact O-N 3.27Å; N444-A462 HydrophobicContact CB-CB 4.21Å; N444-A462 PolarHBondContact ND2-O 2.83Å; N444-L463 HydrophobicContact CB-CD1 4.39Å
445	T	75.8	Confident	78	Confident	58 Å²	58	77 Å²	77	36%	0.356	36%	0.36	S	S	.	.	H	α-helix	trans	-81.9	-22.6	175.8	69.4	0	0	0	0	113.9	H442 F443	H442-T445 PolarHBondContact CE1-OG1 2.91Å; H442-T445 PolarHBondContact ND1-OG1 3.17Å; H442-T445 WeakPolarHBondContact O-CA 3.45Å; H442-T445 VanDerWaalsContact O-CB 3.31Å; H442-T445 WeakPolarHBondContact O-CB 3.49Å; H442-T445 PolarHBondContact O-N 3.49Å; H442-T445 PolarHBondContact O-OG1 2.83Å; F443-T445 PolarHBondContact O-N 3.29Å
446	H	77.8	Confident	77.7	Confident	55 Å²	55	79.5 Å²	79.5	26%	0.255	37%	0.365	S	S	.	.	H	α-helix	trans	-91.5	-35.8	172.2	-58.1	-54	0	0	0	112.5	V428 H442 F443 W448	V428-H446 HydrophobicContact CB-CB 4.43Å; V428-H446 HydrophobicContact CG1-CB 4.14Å; V428-H446 HydrophobicContact CG2-CB 4.34Å; H442-H446 AromaticContact CD2-NE2 3.76Å; H442-H446 AromaticContact CE1-CE1 3.8Å; H442-H446 AromaticContact CE1-NE2 3.37Å; H442-H446 PolarHBondContact CE1-NE2 3.26Å; H442-H446 AromaticContact NE2-CD2 3.88Å; H442-H446 AromaticContact NE2-CE1 3.7Å; H442-H446 AromaticContact NE2-NE2 2.93Å; H442-H446 PolarHBondContact NE2-NE2 3.2Å; F443-H446 PolarHBondContact O-N 2.87Å; H446-W448 PolarHBondContact O-N 3.42Å
447	S	69	Low	77.8	Confident	48 Å²	48	78.4 Å²	78.4	34%	0.336	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-21.7	177.8	169.7	0	0	0	0	113	F443 E449	F443-S447 PolarHBondContact O-N 3.28Å; S447-E449 PolarHBondContact O-N 2.81Å; S447-E449 VanDerWaalsContact OG-CG 3.27Å; S447-E449 WeakPolarHBondContact OG-CG 3.36Å
448	W	64.2	Low	77.7	Confident	189 Å²	189	82.6 Å²	82.6	72%	0.716	38%	0.381	S	S	*	.			trans	55.2	13.6	-175.4	-61.7	95.3	0	0	0	115.5	N444 H446 K450	N444-W448 PolarHBondContact O-N 3.27Å; H446-W448 PolarHBondContact O-N 3.42Å; W448-K450 VanDerWaalsContact C-N 3.26Å; W448-K450 PolarHBondContact O-N 3.31Å
449	E	63.3	Low	77.4	Confident	91 Å²	91	87 Å²	87	43%	0.425	40%	0.396	S	S	.	.			trans	-65.9	79.4	174.1	-80.8	-174.1	164.9	0	0	111.9	S447 K451	S447-E449 PolarHBondContact O-N 2.81Å; S447-E449 VanDerWaalsContact OG-CG 3.27Å; S447-E449 WeakPolarHBondContact OG-CG 3.36Å; E449-K451 HydrophobicContact CB-CG 4.42Å; E449-K451 PolarHBondContact O-N 3.17Å; E449-K451 WeakPolarHBondContact OE2-CE 3.15Å; E449-K451 IonicContact OE2-NZ 3.16Å; E449-K451 PolarHBondContact OE2-NZ 2.97Å
450	K	59.8	Low	77.1	Confident	122 Å²	122	89.9 Å²	89.9	53%	0.53	41%	0.413	S	S	.	.			trans	-71.4	74	175.2	-68.2	173.7	-174	170.7	0	110.6	W448 V460 F461	W448-K450 VanDerWaalsContact C-N 3.26Å; W448-K450 PolarHBondContact O-N 3.31Å; K450-V460 HydrophobicContact CB-CB 4.1Å; K450-V460 HydrophobicContact CB-CG1 3.7Å; K450-V460 WeakPolarHBondContact O-CG1 3.28Å; K450-F461 CarbonylContact C-O 3.55Å
451	K	72.6	Confident	76.9	Confident	125 Å²	125	84.9 Å²	84.9	54%	0.543	40%	0.395	S	S	.	.			trans	-79.4	-11.6	-177.4	-70.8	173.4	-179.5	162.3	0	114.8	E449 P453 F461	E449-K451 HydrophobicContact CB-CG 4.42Å; E449-K451 PolarHBondContact O-N 3.17Å; E449-K451 WeakPolarHBondContact OE2-CE 3.15Å; E449-K451 IonicContact OE2-NZ 3.16Å; E449-K451 PolarHBondContact OE2-NZ 2.97Å; K451-P453 VanDerWaalsContact O-CD 3.24Å; K451-P453 WeakPolarHBondContact O-CD 3.43Å; K451-F461 PolarHBondContact N-O 2.96Å
452	Y	77.8	Confident	76.6	Confident	64 Å²	64	80.3 Å²	80.3	25%	0.251	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	82.3	-167.1	-57.2	-74	0	0	0	113.1	F461 A464	Y452-F461 WeakPolarHBondContact CB-O 3.45Å; Y452-F461 PolarHBondContact N-O 3.22Å; Y452-F461 PolarHBondContact O-N 2.59Å; Y452-A464 HydrophobicContact CD1-CB 3.86Å; Y452-A464 VanDerWaalsContact CD2-N 3.31Å; Y452-A464 HydrophobicContact CE1-CB 3.78Å; Y452-A464 HydrophobicContact CE2-CB 4.45Å; Y452-A464 HydrophobicContact CG-CB 4.24Å
453	P	80.4	Confident	76.3	Confident	70 Å²	70	79.3 Å²	79.3	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.4	173.5	28.9	-34.2	0	0	0	111.4	K451 V460 R467	K451-P453 VanDerWaalsContact O-CD 3.24Å; K451-P453 WeakPolarHBondContact O-CD 3.43Å; P453-V460 HydrophobicContact CB-CG1 4.12Å; P453-V460 HydrophobicContact CB-CG2 4.26Å; P453-R467 VanDerWaalsContact O-CD 3.27Å; P453-R467 WeakPolarHBondContact O-CD 3.34Å
454	C	85.9	Confident	76.2	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.074	38%	0.383	C	S	.	.			trans	-66.5	140.1	172.7	-178.3	0	0	0	0	110.9	F456 K459 F461	C454-F456 PolarHBondContact O-N 3.48Å; C454-F456 PolarHBondContact SG-N 3.15Å; C454-K459 WeakPolarHBondContact CB-O 3.4Å; C454-K459 PolarHBondContact N-O 3.18Å; C454-F461 HydrophobicContact CB-CE2 4.27Å
455	R	81.2	Confident	76.2	Confident	181 Å²	181	80.8 Å²	80.8	68%	0.683	39%	0.389	S	S	*	.	S	Bend	trans	-70.9	-14.1	177.3	-70.8	-74.9	161.2	124.9	-0.1	114.9	E471	R455-E471 PolarHBondContact N-OE1 3.42Å
456	F	79	Confident	76.4	Confident	114 Å²	114	83.5 Å²	83.5	50%	0.5	39%	0.394	S	S	.	.	S	Bend	trans	-113.7	-7.7	-174.9	-56.5	-72	0	0	0	114.5	C454 E471 H474 T475	C454-F456 PolarHBondContact O-N 3.48Å; C454-F456 PolarHBondContact SG-N 3.15Å; F456-E471 HydrophobicContact CD2-CB 4.43Å; F456-E471 HydrophobicContact CD2-CG 4.22Å; F456-E471 HydrophobicContact CE2-CB 4.3Å; F456-E471 HydrophobicContact CE2-CG 4.36Å; F456-H474 HydrophobicContact CB-CB 3.88Å; F456-H474 HydrophobicContact CD2-CB 3.67Å; F456-H474 HydrophobicContact CE2-CB 4.38Å; F456-H474 HydrophobicContact CG-CB 3.82Å; F456-T475 HydrophobicContact CE2-CG2 4.04Å; F456-T475 HydrophobicContact CZ-CG2 4.01Å
457	C	86.2	Confident	76.6	Confident	28 Å²	28	82.2 Å²	82.2	19%	0.189	39%	0.387	C	S	.	.	S	Bend	trans	-163.2	165.3	176.4	70.1	0	0	0	0	112.5	K459 H470 H474	C457-K459 PolarHBondContact O-N 3.04Å; C457-H470 PolarHBondContact SG-NE2 3.28Å; C457-H474 WeakPolarHBondContact CB-CE1 3.35Å; C457-H474 PolarHBondContact SG-CE1 3.06Å; C457-H474 PolarHBondContact SG-NE2 3.39Å
458	N	82.3	Confident	77.2	Confident	169 Å²	169	81.5 Å²	81.5	90%	0.904	38%	0.381	S	S	*	.	S	Bend	trans	-70.8	18.7	-176.2	-58	-12.9	0	0	0	114.9
459	K	78.3	Confident	77.9	Confident	128 Å²	128	77.7 Å²	77.7	56%	0.557	37%	0.369	S	S	*	.			trans	-86.4	125	176.6	-67.6	-175	179.8	-179.1	0	110.5	C454 C457 F461	C454-K459 WeakPolarHBondContact CB-O 3.4Å; C454-K459 PolarHBondContact N-O 3.18Å; C457-K459 PolarHBondContact O-N 3.04Å; K459-F461 HydrophobicContact CB-CE2 3.85Å; K459-F461 HydrophobicContact CB-CZ 4.13Å
460	V	80	Confident	78.8	Confident	63 Å²	63	74.9 Å²	74.9	38%	0.382	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.3	-175.8	-159.4	0	0	0	0	110.7	K450 P453	K450-V460 HydrophobicContact CB-CB 4.1Å; K450-V460 HydrophobicContact CB-CG1 3.7Å; K450-V460 WeakPolarHBondContact O-CG1 3.28Å; P453-V460 HydrophobicContact CB-CG1 4.12Å; P453-V460 HydrophobicContact CB-CG2 4.26Å
461	F	78.6	Confident	79.8	Confident	45 Å²	45	69.8 Å²	69.8	20%	0.197	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.4	-172.3	-61.8	-94.4	0	0	0	111.6	K450 K451 Y452 C454 K459 L463 R467 H470	K450-F461 CarbonylContact C-O 3.55Å; K451-F461 PolarHBondContact N-O 2.96Å; Y452-F461 WeakPolarHBondContact CB-O 3.45Å; Y452-F461 PolarHBondContact N-O 3.22Å; Y452-F461 PolarHBondContact O-N 2.59Å; C454-F461 HydrophobicContact CB-CE2 4.27Å; K459-F461 HydrophobicContact CB-CE2 3.85Å; K459-F461 HydrophobicContact CB-CZ 4.13Å; F461-L463 VanDerWaalsContact C-N 3.31Å; F461-R467 HydrophobicContact CB-CB 4.31Å; F461-R467 HydrophobicContact CD2-CB 4.08Å; F461-R467 HydrophobicContact CD2-CG 4.18Å; F461-R467 HydrophobicContact CG-CB 4.33Å; F461-H470 HydrophobicContact CE1-CB 4.2Å; F461-H470 HydrophobicContact CE2-CB 4.05Å; F461-H470 AromaticContact CE2-CD2 3.48Å; F461-H470 VanDerWaalsContact CE2-CD2 3.48Å; F461-H470 WeakPolarHBondContact CE2-CD2 3.43Å; F461-H470 AromaticContact CE2-CG 3.97Å; F461-H470 HydrophobicContact CZ-CB 3.58Å; F461-H470 AromaticContact CZ-CD2 3.4Å; F461-H470 VanDerWaalsContact CZ-CD2 3.4Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.47Å; F461-H470 AromaticContact CZ-CG 3.5Å
462	A	74.4	Confident	80.2	Confident	17 Å²	17	64 Å²	64	14%	0.14	31%	0.309	C	S	.	.	S	Bend	trans	-80.4	-10.9	173.8	0	0	0	0	0	113.4	N444	N444-A462 HydrophobicContact CB-CB 4.21Å; N444-A462 PolarHBondContact ND2-O 2.83Å
463	L	77	Confident	80.2	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.063	32%	0.318	C	S	.	.			trans	-135.2	137.9	-179.7	-74.4	70.6	0	0	0	111.3	R441 N444 F461 E465 Y466 R467	R441-L463 HydrophobicContact CG-CD2 3.37Å; R441-L463 HydrophobicContact CG-CG 4.03Å; N444-L463 HydrophobicContact CB-CD1 4.39Å; F461-L463 VanDerWaalsContact C-N 3.31Å; L463-E465 PolarHBondContact O-N 3.39Å; L463-Y466 HydrophobicContact CB-CD2 3.84Å; L463-Y466 HydrophobicContact CB-CE2 4.36Å; L463-Y466 HydrophobicContact CB-CG 4.18Å; L463-Y466 HydrophobicContact CD1-CD2 3.94Å; L463-Y466 HydrophobicContact CD1-CE2 3.8Å; L463-Y466 HydrophobicContact CD2-CD2 3.81Å; L463-Y466 HydrophobicContact CD2-CE1 4.28Å; L463-Y466 HydrophobicContact CD2-CE2 3.51Å; L463-Y466 HydrophobicContact CD2-CG 4.32Å; L463-Y466 HydrophobicContact CG-CD2 4.09Å; L463-Y466 HydrophobicContact CG-CE2 4.11Å; L463-Y466 PolarHBondContact O-N 3.25Å; L463-R467 PolarHBondContact O-N 3.25Å; L463-R467 VanDerWaalsContact O-N 3.13Å
464	A	77.8	Confident	80	Confident	34 Å²	34	65.3 Å²	65.3	28%	0.281	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-30.8	170.4	0	0	0	0	0	113.2	Y452 R467 T468	Y452-A464 HydrophobicContact CD1-CB 3.86Å; Y452-A464 VanDerWaalsContact CD2-N 3.31Å; Y452-A464 HydrophobicContact CE1-CB 3.78Å; Y452-A464 HydrophobicContact CE2-CB 4.45Å; Y452-A464 HydrophobicContact CG-CB 4.24Å; A464-R467 PolarHBondContact O-N 2.78Å; A464-T468 WeakPolarHBondContact O-CB 3.06Å; A464-T468 PolarHBondContact O-N 2.99Å; A464-T468 PolarHBondContact O-OG1 3.12Å
465	E	79.3	Confident	79.5	Confident	73 Å²	73	67.4 Å²	67.4	34%	0.341	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-46.9	177.4	-163.3	-158.6	138.7	0	0	111.3	R441 L463 T468 K469	R441-E465 IonicContact NH1-OE2 2.65Å; R441-E465 PolarHBondContact NH1-OE2 2.97Å; R441-E465 VanDerWaalsContact NH1-OE2 3.16Å; L463-E465 PolarHBondContact O-N 3.39Å; E465-T468 PolarHBondContact O-N 3.32Å; E465-K469 PolarHBondContact O-N 3.12Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 3.44Å; E465-K469 PolarHBondContact OE1-NZ 3.35Å
466	Y	79.4	Confident	79.2	Confident	114 Å²	114	60.3 Å²	60.3	45%	0.447	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-38.9	177.7	-61.4	-28	0	0	0	112	L463 T468 K469 H470	L463-Y466 HydrophobicContact CB-CD2 3.84Å; L463-Y466 HydrophobicContact CB-CE2 4.36Å; L463-Y466 HydrophobicContact CB-CG 4.18Å; L463-Y466 HydrophobicContact CD1-CD2 3.94Å; L463-Y466 HydrophobicContact CD1-CE2 3.8Å; L463-Y466 HydrophobicContact CD2-CD2 3.81Å; L463-Y466 HydrophobicContact CD2-CE1 4.28Å; L463-Y466 HydrophobicContact CD2-CE2 3.51Å; L463-Y466 HydrophobicContact CD2-CG 4.32Å; L463-Y466 HydrophobicContact CG-CD2 4.09Å; L463-Y466 HydrophobicContact CG-CE2 4.11Å; L463-Y466 PolarHBondContact O-N 3.25Å; Y466-T468 VanDerWaalsContact C-N 3.31Å; Y466-T468 PolarHBondContact O-N 3.21Å; Y466-K469 PolarHBondContact O-N 3.25Å; Y466-H470 WeakPolarHBondContact O-CB 3.02Å; Y466-H470 PolarHBondContact O-N 3.09Å
467	R	82.8	Confident	79.1	Confident	28 Å²	28	56.3 Å²	56.3	11%	0.106	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-47.8	170.2	-165.5	-152.6	78.7	178.2	21	111	P453 F461 L463 A464 H470 E471	P453-R467 VanDerWaalsContact O-CD 3.27Å; P453-R467 WeakPolarHBondContact O-CD 3.34Å; F461-R467 HydrophobicContact CB-CB 4.31Å; F461-R467 HydrophobicContact CD2-CB 4.08Å; F461-R467 HydrophobicContact CD2-CG 4.18Å; F461-R467 HydrophobicContact CG-CB 4.33Å; L463-R467 PolarHBondContact O-N 3.25Å; L463-R467 VanDerWaalsContact O-N 3.13Å; A464-R467 PolarHBondContact O-N 2.78Å; R467-H470 PolarHBondContact O-N 3.31Å; R467-E471 WeakPolarHBondContact CD-OE1 3.33Å; R467-E471 HydrophobicContact CG-CG 4.47Å; R467-E471 IonicContact CZ-OE1 2.83Å; R467-E471 IonicContact CZ-OE2 2.82Å; R467-E471 VanDerWaalsContact CZ-OE2 3.27Å; R467-E471 IonicContact NE-OE1 3.33Å; R467-E471 PolarHBondContact NE-OE1 2.98Å; R467-E471 IonicContact NE-OE2 2.68Å; R467-E471 PolarHBondContact NE-OE2 2.68Å; R467-E471 IonicContact NH2-OE1 3.27Å; R467-E471 PolarHBondContact NH2-OE1 3.35Å; R467-E471 IonicContact NH2-OE2 2.76Å; R467-E471 PolarHBondContact NH2-OE2 2.82Å; R467-E471 VanDerWaalsContact O-CG 3.29Å; R467-E471 WeakPolarHBondContact O-CG 3.42Å; R467-E471 PolarHBondContact O-N 2.9Å
468	T	80.8	Confident	79	Confident	34 Å²	34	62.5 Å²	62.5	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-42.7	-179.3	-50.9	0	0	0	0	112	A464 E465 Y466 H470 E471 V472 K529	A464-T468 WeakPolarHBondContact O-CB 3.06Å; A464-T468 PolarHBondContact O-N 2.99Å; A464-T468 PolarHBondContact O-OG1 3.12Å; E465-T468 PolarHBondContact O-N 3.32Å; Y466-T468 VanDerWaalsContact C-N 3.31Å; Y466-T468 PolarHBondContact O-N 3.21Å; T468-H470 VanDerWaalsContact C-N 3.29Å; T468-H470 PolarHBondContact O-N 3.06Å; T468-E471 PolarHBondContact O-N 2.8Å; T468-V472 WeakPolarHBondContact O-CG2 3.42Å; T468-V472 PolarHBondContact O-N 3Å; T468-K529 HydrophobicContact CG2-CD 3.96Å; T468-K529 PolarHBondContact OG1-NZ 2.82Å
469	K	80	Confident	78.9	Confident	108 Å²	108	56.3 Å²	56.3	47%	0.47	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-35.7	174.9	-76	172.4	171.2	171.4	0	112.1	E465 Y466	E465-K469 PolarHBondContact O-N 3.12Å; E465-K469 WeakPolarHBondContact OE1-CE 3.4Å; E465-K469 IonicContact OE1-NZ 3.44Å; E465-K469 PolarHBondContact OE1-NZ 3.35Å; Y466-K469 PolarHBondContact O-N 3.25Å
470	H	81.2	Confident	79.2	Confident	32 Å²	32	52.2 Å²	52.2	15%	0.148	26%	0.261	C	S	.	.	H	α-helix	trans	-75.1	-36.2	175.6	-178.4	50.4	0	0	0	113.6	C457 F461 Y466 R467 T468 V472 C473 H474	C457-H470 PolarHBondContact SG-NE2 3.28Å; F461-H470 HydrophobicContact CE1-CB 4.2Å; F461-H470 HydrophobicContact CE2-CB 4.05Å; F461-H470 AromaticContact CE2-CD2 3.48Å; F461-H470 VanDerWaalsContact CE2-CD2 3.48Å; F461-H470 WeakPolarHBondContact CE2-CD2 3.43Å; F461-H470 AromaticContact CE2-CG 3.97Å; F461-H470 HydrophobicContact CZ-CB 3.58Å; F461-H470 AromaticContact CZ-CD2 3.4Å; F461-H470 VanDerWaalsContact CZ-CD2 3.4Å; F461-H470 WeakPolarHBondContact CZ-CD2 3.47Å; F461-H470 AromaticContact CZ-CG 3.5Å; Y466-H470 WeakPolarHBondContact O-CB 3.02Å; Y466-H470 PolarHBondContact O-N 3.09Å; R467-H470 PolarHBondContact O-N 3.31Å; T468-H470 VanDerWaalsContact C-N 3.29Å; T468-H470 PolarHBondContact O-N 3.06Å; H470-V472 PolarHBondContact O-N 3.16Å; H470-C473 WeakPolarHBondContact O-CA 3.27Å; H470-C473 WeakPolarHBondContact O-CB 3.33Å; H470-C473 PolarHBondContact O-N 3.41Å; H470-H474 AromaticContact CD2-NE2 3Å; H470-H474 PolarHBondContact CD2-NE2 2.65Å; H470-H474 AromaticContact CE1-CD2 3.87Å; H470-H474 AromaticContact CE1-NE2 2.65Å; H470-H474 PolarHBondContact CE1-NE2 3.1Å; H470-H474 AromaticContact CG-NE2 3.83Å; H470-H474 AromaticContact ND1-NE2 3.65Å; H470-H474 AromaticContact NE2-CD2 3.72Å; H470-H474 AromaticContact NE2-NE2 2.1Å; H470-H474 PolarHBondContact NE2-NE2 3.44Å; H470-H474 PolarHBondContact O-CD2 2.89Å
471	E	81.4	Confident	79.5	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.075	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-34.8	175.4	-76	167.7	157.7	0	0	111.5	R455 F456 R467 T468 C473 H474 T475	R455-E471 PolarHBondContact N-OE1 3.42Å; F456-E471 HydrophobicContact CD2-CB 4.43Å; F456-E471 HydrophobicContact CD2-CG 4.22Å; F456-E471 HydrophobicContact CE2-CB 4.3Å; F456-E471 HydrophobicContact CE2-CG 4.36Å; R467-E471 WeakPolarHBondContact CD-OE1 3.33Å; R467-E471 HydrophobicContact CG-CG 4.47Å; R467-E471 IonicContact CZ-OE1 2.83Å; R467-E471 IonicContact CZ-OE2 2.82Å; R467-E471 VanDerWaalsContact CZ-OE2 3.27Å; R467-E471 IonicContact NE-OE1 3.33Å; R467-E471 PolarHBondContact NE-OE1 2.98Å; R467-E471 IonicContact NE-OE2 2.68Å; R467-E471 PolarHBondContact NE-OE2 2.68Å; R467-E471 IonicContact NH2-OE1 3.27Å; R467-E471 PolarHBondContact NH2-OE1 3.35Å; R467-E471 IonicContact NH2-OE2 2.76Å; R467-E471 PolarHBondContact NH2-OE2 2.82Å; R467-E471 VanDerWaalsContact O-CG 3.29Å; R467-E471 WeakPolarHBondContact O-CG 3.42Å; R467-E471 PolarHBondContact O-N 2.9Å; T468-E471 PolarHBondContact O-N 2.8Å; E471-C473 PolarHBondContact O-N 3.09Å; E471-H474 WeakPolarHBondContact O-CB 3.35Å; E471-H474 PolarHBondContact O-N 2.88Å; E471-H474 VanDerWaalsContact O-N 3.07Å; E471-T475 PolarHBondContact O-N 2.77Å; E471-T475 VanDerWaalsContact O-N 3.12Å
472	V	80.8	Confident	80	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-21.2	173.3	173	0	0	0	0	113.1	T468 H470 G476 E477 Q490	T468-V472 WeakPolarHBondContact O-CG2 3.42Å; T468-V472 PolarHBondContact O-N 3Å; H470-V472 PolarHBondContact O-N 3.16Å; V472-G476 PolarHBondContact O-N 2.58Å; V472-E477 HydrophobicContact CG1-CB 4.49Å; V472-Q490 HydrophobicContact CG1-CG 4.14Å; V472-Q490 PolarHBondContact O-NE2 2.81Å
473	C	77.5	Confident	80.6	Confident	66 Å²	66	51.2 Å²	51.2	45%	0.446	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-34.3	169.6	-59.4	0	0	0	0	112.1	H470 E471	H470-C473 WeakPolarHBondContact O-CA 3.27Å; H470-C473 WeakPolarHBondContact O-CB 3.33Å; H470-C473 PolarHBondContact O-N 3.41Å; E471-C473 PolarHBondContact O-N 3.09Å
474	H	76.6	Confident	80.9	Confident	96 Å²	96	54 Å²	54	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-77.5	-39.6	178.1	-69.2	-85	0	0	0	112.4	F456 C457 H470 E471 G476	F456-H474 HydrophobicContact CB-CB 3.88Å; F456-H474 HydrophobicContact CD2-CB 3.67Å; F456-H474 HydrophobicContact CE2-CB 4.38Å; F456-H474 HydrophobicContact CG-CB 3.82Å; C457-H474 WeakPolarHBondContact CB-CE1 3.35Å; C457-H474 PolarHBondContact SG-CE1 3.06Å; C457-H474 PolarHBondContact SG-NE2 3.39Å; H470-H474 AromaticContact CD2-NE2 3Å; H470-H474 PolarHBondContact CD2-NE2 2.65Å; H470-H474 AromaticContact CE1-CD2 3.87Å; H470-H474 AromaticContact CE1-NE2 2.65Å; H470-H474 PolarHBondContact CE1-NE2 3.1Å; H470-H474 AromaticContact CG-NE2 3.83Å; H470-H474 AromaticContact ND1-NE2 3.65Å; H470-H474 AromaticContact NE2-CD2 3.72Å; H470-H474 AromaticContact NE2-NE2 2.1Å; H470-H474 PolarHBondContact NE2-NE2 3.44Å; H470-H474 PolarHBondContact O-CD2 2.89Å; E471-H474 WeakPolarHBondContact O-CB 3.35Å; E471-H474 PolarHBondContact O-N 2.88Å; E471-H474 VanDerWaalsContact O-N 3.07Å; H474-G476 VanDerWaalsContact C-N 3.29Å; H474-G476 PolarHBondContact O-N 2.88Å
475	T	74.1	Confident	81.3	Confident	55 Å²	55	54.6 Å²	54.6	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-78.3	-10.6	179.3	61.3	0	0	0	0	114.1	F456 E471 E477	F456-T475 HydrophobicContact CE2-CG2 4.04Å; F456-T475 HydrophobicContact CZ-CG2 4.01Å; E471-T475 PolarHBondContact O-N 2.77Å; E471-T475 VanDerWaalsContact O-N 3.12Å; T475-E477 PolarHBondContact O-N 3.43Å; T475-E477 VanDerWaalsContact O-N 3.1Å
476	G	75.6	Confident	81.6	Confident	31 Å²	31	56 Å²	56	32%	0.32	28%	0.277	S	S	.	.			trans	65.3	10.3	-178.6	0	0	0	0	0	114.8	V472 H474 R478	V472-G476 PolarHBondContact O-N 2.58Å; H474-G476 VanDerWaalsContact C-N 3.29Å; H474-G476 PolarHBondContact O-N 2.88Å; G476-R478 PolarHBondContact O-N 3.05Å; G476-R478 VanDerWaalsContact O-N 3.13Å
477	E	78.1	Confident	81.9	Confident	31 Å²	31	54.5 Å²	54.5	15%	0.145	28%	0.277	C	S	.	.			trans	-69.4	107.7	-164.7	-161.5	-174.9	-146.6	0	0	112	V472 T475 R479 C526 R527	V472-E477 HydrophobicContact CG1-CB 4.49Å; T475-E477 PolarHBondContact O-N 3.43Å; T475-E477 VanDerWaalsContact O-N 3.1Å; E477-R479 HydrophobicContact CB-CG 4.44Å; E477-R479 HydrophobicContact CG-CG 3.8Å; E477-R479 PolarHBondContact O-N 2.63Å; E477-R479 VanDerWaalsContact O-N 3.16Å; E477-R479 VanDerWaalsContact OE2-CD 3.23Å; E477-R479 WeakPolarHBondContact OE2-CD 3.43Å; E477-R479 IonicContact OE2-NE 2.81Å; E477-R479 PolarHBondContact OE2-NE 3.15Å; E477-C526 PolarHBondContact OE2-SG 3.39Å; E477-R527 WeakPolarHBondContact OE1-CB 3.05Å; E477-R527 WeakPolarHBondContact OE1-CG 3.43Å; E477-R527 PolarHBondContact OE1-N 3.05Å
478	R	82.5	Confident	82.1	Confident	157 Å²	157	57.7 Å²	57.7	59%	0.592	30%	0.295	S	S	*	.			trans	-82.8	86.7	-178.2	-68.3	171.4	166.8	83.9	-6.4	111.3	G476 M488 F489	G476-R478 PolarHBondContact O-N 3.05Å; G476-R478 VanDerWaalsContact O-N 3.13Å; R478-M488 HydrophobicContact CB-CB 3.74Å; R478-M488 VanDerWaalsContact CD-O 3.27Å; R478-M488 WeakPolarHBondContact CD-O 3.45Å; R478-F489 CarbonylContact C-O 3.18Å; R478-F489 VanDerWaalsContact C-O 3.31Å; R478-F489 WeakPolarHBondContact CA-O 3.23Å
479	R	81.2	Confident	82.3	Confident	40 Å²	40	57.5 Å²	57.5	15%	0.151	29%	0.291	C	S	.	.			trans	-92.6	-12.1	-173	-65.8	-176.7	-71.5	123.3	8.4	115.8	E477 F489 L523 L524	E477-R479 HydrophobicContact CB-CG 4.44Å; E477-R479 HydrophobicContact CG-CG 3.8Å; E477-R479 PolarHBondContact O-N 2.63Å; E477-R479 VanDerWaalsContact O-N 3.16Å; E477-R479 VanDerWaalsContact OE2-CD 3.23Å; E477-R479 WeakPolarHBondContact OE2-CD 3.43Å; E477-R479 IonicContact OE2-NE 2.81Å; E477-R479 PolarHBondContact OE2-NE 3.15Å; R479-F489 PolarHBondContact N-O 3.04Å; R479-F489 VanDerWaalsContact N-O 3.09Å; R479-L523 HydrophobicContact CB-CD1 3.97Å; R479-L523 CarbonylContact O-C 3.6Å; R479-L523 WeakPolarHBondContact O-CA 3.37Å; R479-L524 HydrophobicContact CB-CB 4.45Å; R479-L524 PolarHBondContact O-N 3.5Å
480	Y	85	Confident	82.3	Confident	41 Å²	41	55.2 Å²	55.2	16%	0.161	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	98.3	-178.3	-70.3	-89.8	0	0	0	109.9	M488 F489 Y492 L495 Y521 L523	Y480-M488 WeakPolarHBondContact O-CA 3.35Å; Y480-F489 WeakPolarHBondContact CB-O 3.09Å; Y480-F489 PolarHBondContact N-O 3.31Å; Y480-F489 WeakPolarHBondContact O-CD2 3.46Å; Y480-F489 PolarHBondContact O-N 3.29Å; Y480-Y492 HydrophobicContact CD1-CD2 4.37Å; Y480-Y492 HydrophobicContact CE1-CD2 4.2Å; Y480-Y492 HydrophobicContact CE1-CG 4.42Å; Y480-L495 HydrophobicContact CD1-CD2 3.96Å; Y480-L495 HydrophobicContact CG-CD2 4.39Å; Y480-Y521 HydrophobicContact CD1-CD2 4.18Å; Y480-Y521 HydrophobicContact CD1-CE2 4.21Å; Y480-Y521 HydrophobicContact CE1-CE2 4.39Å; Y480-L523 HydrophobicContact CD1-CD1 4.01Å; Y480-L523 HydrophobicContact CD2-CD1 4.26Å; Y480-L523 HydrophobicContact CE1-CD1 3.8Å; Y480-L523 HydrophobicContact CE1-CD2 4.47Å; Y480-L523 HydrophobicContact CE2-CD1 4.07Å; Y480-L523 HydrophobicContact CG-CD1 4.24Å
481	Q	85.9	Confident	82.4	Confident	33 Å²	33	55.9 Å²	55.9	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.3	177.8	-174.6	178.3	27.7	0	0	110.1	N486 D487 M488 Y521 R522	Q481-N486 PolarHBondContact NE2-OD1 2.78Å; Q481-D487 CarbonylContact C-O 3.56Å; Q481-D487 WeakPolarHBondContact CA-O 3.48Å; Q481-M488 HydrophobicContact CB-CG 4.3Å; Q481-M488 HydrophobicContact CG-CG 4.26Å; Q481-Y521 CarbonylContact O-C 3.58Å; Q481-Y521 WeakPolarHBondContact O-CA 3.41Å; Q481-Y521 VanDerWaalsContact O-CB 3.29Å; Q481-Y521 WeakPolarHBondContact O-CB 3.37Å; Q481-R522 HydrophobicContact CB-CB 4.42Å; Q481-R522 PolarHBondContact N-O 3.41Å; Q481-R522 PolarHBondContact O-N 2.78Å
482	C	89	Confident	82.6	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.2	169.7	-176.7	0	0	0	0	109.7	L484 N486 D487 F489 L495	C482-L484 VanDerWaalsContact C-N 3.28Å; C482-L484 PolarHBondContact O-N 3.06Å; C482-N486 WeakPolarHBondContact O-CA 3.14Å; C482-N486 PolarHBondContact O-N 3.22Å; C482-D487 PolarHBondContact N-O 3.16Å; C482-F489 HydrophobicContact CB-CE2 4.15Å; C482-L495 HydrophobicContact CB-CD1 3.61Å
483	L	86.6	Confident	82.8	Confident	72 Å²	72	64.5 Å²	64.5	38%	0.377	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.6	-178.9	-64.5	-168.8	0	0	0	114	N519 L520 R522	L483-N519 WeakPolarHBondContact CD1-O 3.29Å; L483-L520 PolarHBondContact N-O 2.96Å; L483-R522 HydrophobicContact CD2-CB 3.82Å; L483-R522 HydrophobicContact CG-CB 4.32Å
484	L	83.1	Confident	83.2	Confident	70 Å²	70	65 Å²	65	37%	0.366	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-22.4	-178.9	-56.5	171.1	0	0	0	113.1	C482 H503 L520	C482-L484 VanDerWaalsContact C-N 3.28Å; C482-L484 PolarHBondContact O-N 3.06Å; L484-H503 HydrophobicContact CD1-CB 3.59Å; L484-L520 HydrophobicContact CD2-CD2 4.45Å
485	C	87.1	Confident	83.8	Confident	47 Å²	47	60.4 Å²	60.4	32%	0.318	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	-8.3	-176.8	59.5	0	0	0	0	113.7	D487 H498 H503	C485-D487 PolarHBondContact O-N 3.17Å; C485-D487 PolarHBondContact SG-N 3.1Å; C485-D487 VanDerWaalsContact SG-N 3.42Å; C485-H498 PolarHBondContact SG-NE2 2.9Å; C485-H503 PolarHBondContact SG-NE2 2.91Å
486	N	85.5	Confident	84.4	Confident	101 Å²	101	58.5 Å²	58.5	54%	0.54	29%	0.293	S	S	.	.			trans	64.4	5.8	-171.8	-62.3	-64.8	0	0	0	116.5	Q481 C482	Q481-N486 PolarHBondContact NE2-OD1 2.78Å; C482-N486 WeakPolarHBondContact O-CA 3.14Å; C482-N486 PolarHBondContact O-N 3.22Å
487	D	85.9	Confident	85	Confident	84 Å²	84	62.8 Å²	62.8	45%	0.449	30%	0.304	S	S	.	.			trans	-57.7	140.4	173.3	-84.8	-31.8	0	0	0	112.1	Q481 C482 C485 F489 H498	Q481-D487 CarbonylContact C-O 3.56Å; Q481-D487 WeakPolarHBondContact CA-O 3.48Å; C482-D487 PolarHBondContact N-O 3.16Å; C485-D487 PolarHBondContact O-N 3.17Å; C485-D487 PolarHBondContact SG-N 3.1Å; C485-D487 VanDerWaalsContact SG-N 3.42Å; D487-F489 HydrophobicContact CB-CE1 4.46Å; D487-F489 HydrophobicContact CB-CE2 3.52Å; D487-F489 HydrophobicContact CB-CZ 3.45Å; D487-F489 VanDerWaalsContact CB-CZ 3.45Å; D487-F489 WeakPolarHBondContact O-CE2 3.5Å; D487-H498 IonicContact OD2-CE1 2.67Å; D487-H498 PolarHBondContact OD2-CE1 3.4Å; D487-H498 VanDerWaalsContact OD2-CE1 3.28Å; D487-H498 IonicContact OD2-ND1 3.24Å
488	M	86.8	Confident	85.4	Confident	95 Å²	95	62.2 Å²	62.2	47%	0.468	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.8	-179.4	-61.9	-172.7	-76.6	0	0	112.4	R478 Y480 Q481 L524	R478-M488 HydrophobicContact CB-CB 3.74Å; R478-M488 VanDerWaalsContact CD-O 3.27Å; R478-M488 WeakPolarHBondContact CD-O 3.45Å; Y480-M488 WeakPolarHBondContact O-CA 3.35Å; Q481-M488 HydrophobicContact CB-CG 4.3Å; Q481-M488 HydrophobicContact CG-CG 4.26Å; M488-L524 HydrophobicContact SD-CD1 4.26Å
489	F	84.4	Confident	85.6	Confident	29 Å²	29	54.7 Å²	54.7	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.3	-176.5	-55.7	-79.8	0	0	0	112	R478 R479 Y480 C482 D487 V494 L495 H498	R478-F489 CarbonylContact C-O 3.18Å; R478-F489 VanDerWaalsContact C-O 3.31Å; R478-F489 WeakPolarHBondContact CA-O 3.23Å; R479-F489 PolarHBondContact N-O 3.04Å; R479-F489 VanDerWaalsContact N-O 3.09Å; Y480-F489 WeakPolarHBondContact CB-O 3.09Å; Y480-F489 PolarHBondContact N-O 3.31Å; Y480-F489 WeakPolarHBondContact O-CD2 3.46Å; Y480-F489 PolarHBondContact O-N 3.29Å; C482-F489 HydrophobicContact CB-CE2 4.15Å; D487-F489 HydrophobicContact CB-CE1 4.46Å; D487-F489 HydrophobicContact CB-CE2 3.52Å; D487-F489 HydrophobicContact CB-CZ 3.45Å; D487-F489 VanDerWaalsContact CB-CZ 3.45Å; D487-F489 WeakPolarHBondContact O-CE2 3.5Å; F489-V494 HydrophobicContact CB-CB 4.41Å; F489-V494 HydrophobicContact CD1-CB 4.31Å; F489-V494 HydrophobicContact CD1-CG1 3.69Å; F489-V494 HydrophobicContact CE1-CG1 4.38Å; F489-V494 HydrophobicContact CG-CG1 4.47Å; F489-L495 HydrophobicContact CB-CB 4.14Å; F489-L495 HydrophobicContact CD2-CB 3.86Å; F489-L495 HydrophobicContact CD2-CD1 3.76Å; F489-L495 HydrophobicContact CD2-CG 4.44Å; F489-L495 HydrophobicContact CE2-CD1 4.05Å; F489-L495 HydrophobicContact CG-CB 4.13Å; F489-H498 HydrophobicContact CE1-CB 3.98Å; F489-H498 HydrophobicContact CE2-CB 4.24Å; F489-H498 AromaticContact CE2-CD2 3.59Å; F489-H498 AromaticContact CE2-CG 3.81Å; F489-H498 AromaticContact CE2-NE2 3.96Å; F489-H498 HydrophobicContact CZ-CB 3.68Å; F489-H498 AromaticContact CZ-CD2 3.53Å; F489-H498 AromaticContact CZ-CE1 3.77Å; F489-H498 AromaticContact CZ-CG 3.27Å; F489-H498 AromaticContact CZ-ND1 3.45Å; F489-H498 WeakPolarHBondContact CZ-ND1 3.3Å; F489-H498 AromaticContact CZ-NE2 3.84Å
490	Q	81	Confident	85.9	Confident	60 Å²	60	56.6 Å²	56.6	28%	0.28	28%	0.283	S	S	.	.	S	Bend	trans	-75.7	-31.6	-179.7	-166.7	176.4	39.8	0	0	113	V472	V472-Q490 HydrophobicContact CG1-CG 4.14Å; V472-Q490 PolarHBondContact O-NE2 2.81Å
491	N	82.7	Confident	86	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.251	30%	0.304	S	S	.	.	S	Bend	trans	-142.4	148.3	-173	-71.8	-60.9	0	0	0	111.7	Q493 V494 L495	N491-Q493 VanDerWaalsContact C-N 3.26Å; N491-Q493 PolarHBondContact O-N 2.87Å; N491-V494 HydrophobicContact CB-CG2 4.47Å; N491-V494 PolarHBondContact O-N 3.1Å; N491-V494 VanDerWaalsContact O-N 3.09Å; N491-L495 PolarHBondContact O-N 2.86Å
492	Y	85.4	Confident	86.1	Confident	60 Å²	60	63.7 Å²	63.7	24%	0.235	32%	0.323	C	S	.	.	H	α-helix	trans	-55.6	-35.3	180	178.9	-97.9	0	0	0	113.7	Y480 V494 L495 S496 P507 S508 Y521	Y480-Y492 HydrophobicContact CD1-CD2 4.37Å; Y480-Y492 HydrophobicContact CE1-CD2 4.2Å; Y480-Y492 HydrophobicContact CE1-CG 4.42Å; Y492-V494 VanDerWaalsContact C-N 3.3Å; Y492-V494 PolarHBondContact O-N 3.31Å; Y492-L495 HydrophobicContact CD2-CD2 4.07Å; Y492-L495 HydrophobicContact CE2-CD2 4.45Å; Y492-L495 PolarHBondContact O-N 3.08Å; Y492-S496 VanDerWaalsContact O-CB 3.24Å; Y492-S496 WeakPolarHBondContact O-CB 3.36Å; Y492-S496 PolarHBondContact O-N 2.84Å; Y492-P507 PolarHBondContact OH-O 2.83Å; Y492-S508 WeakPolarHBondContact OH-CB 2.95Å; Y492-S508 PolarHBondContact OH-N 3.06Å; Y492-Y521 HydrophobicContact CD2-CE1 4.42Å; Y492-Y521 HydrophobicContact CD2-CE2 4.27Å; Y492-Y521 HydrophobicContact CE2-CD1 4.42Å; Y492-Y521 AromaticContact CE2-CE1 3.77Å; Y492-Y521 HydrophobicContact CE2-CE1 3.77Å; Y492-Y521 HydrophobicContact CE2-CE2 4.41Å; Y492-Y521 AromaticContact CE2-CZ 3.75Å
493	Q	85	Confident	85.8	Confident	139 Å²	139	65.9 Å²	65.9	65%	0.65	33%	0.334	S	S	*	.	H	α-helix	trans	-62.2	-37.7	179.2	-62.4	88.9	-24.1	0	0	112.3	N491 H497	N491-Q493 VanDerWaalsContact C-N 3.26Å; N491-Q493 PolarHBondContact O-N 2.87Å; Q493-H497 WeakPolarHBondContact O-CB 3.14Å; Q493-H497 PolarHBondContact O-N 2.93Å
494	V	86.6	Confident	85.6	Confident	77 Å²	77	69.4 Å²	69.4	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-73.3	-44.8	-179.2	-171.1	0	0	0	0	110.1	F489 N491 Y492 S496 H497 H498	F489-V494 HydrophobicContact CB-CB 4.41Å; F489-V494 HydrophobicContact CD1-CB 4.31Å; F489-V494 HydrophobicContact CD1-CG1 3.69Å; F489-V494 HydrophobicContact CE1-CG1 4.38Å; F489-V494 HydrophobicContact CG-CG1 4.47Å; N491-V494 HydrophobicContact CB-CG2 4.47Å; N491-V494 PolarHBondContact O-N 3.1Å; N491-V494 VanDerWaalsContact O-N 3.09Å; Y492-V494 VanDerWaalsContact C-N 3.3Å; Y492-V494 PolarHBondContact O-N 3.31Å; V494-S496 PolarHBondContact O-N 2.89Å; V494-H497 PolarHBondContact O-N 2.96Å; V494-H498 WeakPolarHBondContact O-CB 3.49Å; V494-H498 PolarHBondContact O-N 3.13Å
495	L	88.1	Confident	85.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-54.9	-49.7	169.9	166.5	72.6	0	0	0	111.4	Y480 C482 F489 N491 Y492 H497 H498 C499 Y521	Y480-L495 HydrophobicContact CD1-CD2 3.96Å; Y480-L495 HydrophobicContact CG-CD2 4.39Å; C482-L495 HydrophobicContact CB-CD1 3.61Å; F489-L495 HydrophobicContact CB-CB 4.14Å; F489-L495 HydrophobicContact CD2-CB 3.86Å; F489-L495 HydrophobicContact CD2-CD1 3.76Å; F489-L495 HydrophobicContact CD2-CG 4.44Å; F489-L495 HydrophobicContact CE2-CD1 4.05Å; F489-L495 HydrophobicContact CG-CB 4.13Å; N491-L495 PolarHBondContact O-N 2.86Å; Y492-L495 HydrophobicContact CD2-CD2 4.07Å; Y492-L495 HydrophobicContact CE2-CD2 4.45Å; Y492-L495 PolarHBondContact O-N 3.08Å; L495-H497 VanDerWaalsContact C-N 3.35Å; L495-H497 PolarHBondContact O-N 3.14Å; L495-H498 WeakPolarHBondContact O-CB 3.41Å; L495-H498 PolarHBondContact O-N 2.92Å; L495-C499 PolarHBondContact O-N 3.08Å; L495-C499 PolarHBondContact O-SG 2.81Å; L495-Y521 HydrophobicContact CD2-CD1 4.03Å; L495-Y521 HydrophobicContact CD2-CD2 3.59Å; L495-Y521 HydrophobicContact CD2-CE2 4.35Å; L495-Y521 HydrophobicContact CD2-CG 3.4Å
496	S	87.3	Confident	85.1	Confident	15 Å²	15	70.9 Å²	70.9	11%	0.105	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-39.3	-177.2	-173.4	0	0	0	0	111.9	Y492 V494 K500	Y492-S496 VanDerWaalsContact O-CB 3.24Å; Y492-S496 WeakPolarHBondContact O-CB 3.36Å; Y492-S496 PolarHBondContact O-N 2.84Å; V494-S496 PolarHBondContact O-N 2.89Å; S496-K500 VanDerWaalsContact O-CG 3.28Å; S496-K500 WeakPolarHBondContact O-CG 3.26Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 WeakPolarHBondContact OG-CE 3.42Å
497	H	87	Confident	84.6	Confident	120 Å²	120	66.8 Å²	66.8	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-64.3	-46.5	171.4	-172.8	67.7	0	0	0	111.6	Q493 V494 L495 K500 Q501	Q493-H497 WeakPolarHBondContact O-CB 3.14Å; Q493-H497 PolarHBondContact O-N 2.93Å; V494-H497 PolarHBondContact O-N 2.96Å; L495-H497 VanDerWaalsContact C-N 3.35Å; L495-H497 PolarHBondContact O-N 3.14Å; H497-K500 PolarHBondContact O-N 3.18Å; H497-Q501 PolarHBondContact CE1-NE2 2.78Å; H497-Q501 WeakPolarHBondContact O-CB 3.28Å; H497-Q501 WeakPolarHBondContact O-CG 3.42Å; H497-Q501 PolarHBondContact O-N 3Å
498	H	87.7	Confident	84	Confident	19 Å²	19	66.2 Å²	66.2	9%	0.088	34%	0.337	C	S	.	.	H	α-helix	trans	-57.8	-49.9	176.3	161.1	92.7	0	0	0	112.4	C485 D487 F489 V494 L495 K500 Q501 V502 H503	C485-H498 PolarHBondContact SG-NE2 2.9Å; D487-H498 IonicContact OD2-CE1 2.67Å; D487-H498 PolarHBondContact OD2-CE1 3.4Å; D487-H498 VanDerWaalsContact OD2-CE1 3.28Å; D487-H498 IonicContact OD2-ND1 3.24Å; F489-H498 HydrophobicContact CE1-CB 3.98Å; F489-H498 HydrophobicContact CE2-CB 4.24Å; F489-H498 AromaticContact CE2-CD2 3.59Å; F489-H498 AromaticContact CE2-CG 3.81Å; F489-H498 AromaticContact CE2-NE2 3.96Å; F489-H498 HydrophobicContact CZ-CB 3.68Å; F489-H498 AromaticContact CZ-CD2 3.53Å; F489-H498 AromaticContact CZ-CE1 3.77Å; F489-H498 AromaticContact CZ-CG 3.27Å; F489-H498 AromaticContact CZ-ND1 3.45Å; F489-H498 WeakPolarHBondContact CZ-ND1 3.3Å; F489-H498 AromaticContact CZ-NE2 3.84Å; V494-H498 WeakPolarHBondContact O-CB 3.49Å; V494-H498 PolarHBondContact O-N 3.13Å; L495-H498 WeakPolarHBondContact O-CB 3.41Å; L495-H498 PolarHBondContact O-N 2.92Å; H498-K500 VanDerWaalsContact C-N 3.27Å; H498-K500 PolarHBondContact O-N 2.85Å; H498-Q501 PolarHBondContact O-N 3.38Å; H498-V502 WeakPolarHBondContact O-CB 3.14Å; H498-V502 PolarHBondContact O-N 3.18Å; H498-H503 AromaticContact CE1-NE2 3.91Å; H498-H503 AromaticContact NE2-CD2 3.59Å; H498-H503 AromaticContact NE2-NE2 3.42Å; H498-H503 PolarHBondContact NE2-NE2 2.84Å
499	C	85.7	Confident	82.9	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-38.1	178.6	-63.7	0	0	0	0	112.3	L495 H503 N504 Q505 P507	L495-C499 PolarHBondContact O-N 3.08Å; L495-C499 PolarHBondContact O-SG 2.81Å; C499-H503 CarbonylContact O-C 3.48Å; C499-H503 WeakPolarHBondContact O-CA 3.38Å; C499-H503 WeakPolarHBondContact O-CB 3.35Å; C499-H503 PolarHBondContact O-N 3.45Å; C499-N504 PolarHBondContact O-N 2.81Å; C499-Q505 CarbonylContact C-O 3.36Å; C499-Q505 WeakPolarHBondContact CB-O 3.48Å; C499-Q505 PolarHBondContact O-N 3.38Å; C499-P507 HydrophobicContact CB-CG 3.83Å
500	K	87.2	Confident	81.4	Confident	80 Å²	80	74.3 Å²	74.3	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-73.9	-30.4	178.4	-67.6	-177.9	-158	-144.6	0	113.6	S496 H497 H498 N504 Q505 D506	S496-K500 VanDerWaalsContact O-CG 3.28Å; S496-K500 WeakPolarHBondContact O-CG 3.26Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 WeakPolarHBondContact OG-CE 3.42Å; H497-K500 PolarHBondContact O-N 3.18Å; H498-K500 VanDerWaalsContact C-N 3.27Å; H498-K500 PolarHBondContact O-N 2.85Å; K500-N504 WeakPolarHBondContact O-CA 3.02Å; K500-N504 PolarHBondContact O-OD1 3.42Å; K500-Q505 WeakPolarHBondContact CG-O 3.42Å; K500-Q505 PolarHBondContact N-O 3.1Å; K500-D506 WeakPolarHBondContact CE-OD1 3.49Å; K500-D506 WeakPolarHBondContact CE-OD2 3.35Å; K500-D506 IonicContact NZ-OD1 3.04Å; K500-D506 PolarHBondContact NZ-OD1 2.8Å; K500-D506 IonicContact NZ-OD2 2.63Å; K500-D506 PolarHBondContact NZ-OD2 2.75Å
501	Q	87.8	Confident	80	Confident	130 Å²	130	77.2 Å²	77.2	61%	0.607	39%	0.388	S	S	*	.	H	α-helix	trans	-96	-32.3	-175.3	-62	-77.2	78	0	0	113.9	H497 H498	H497-Q501 PolarHBondContact CE1-NE2 2.78Å; H497-Q501 WeakPolarHBondContact O-CB 3.28Å; H497-Q501 WeakPolarHBondContact O-CG 3.42Å; H497-Q501 PolarHBondContact O-N 3Å; H498-Q501 PolarHBondContact O-N 3.38Å
502	V	87.6	Confident	78.3	Confident	92 Å²	92	81.8 Å²	81.8	56%	0.558	41%	0.408	S	S	*	.	H	α-helix	trans	-99.6	-32.8	-176.1	-178.1	0	0	0	0	111.5	H498	H498-V502 WeakPolarHBondContact O-CB 3.14Å; H498-V502 PolarHBondContact O-N 3.18Å
503	H	82.7	Confident	76.6	Confident	47 Å²	47	88.3 Å²	88.3	22%	0.218	44%	0.438	C	S	.	.	S	Bend	trans	-116.9	-2.7	-176.3	-59.6	-65.1	0	0	0	114.1	L484 C485 H498 C499 Q505	L484-H503 HydrophobicContact CD1-CB 3.59Å; C485-H503 PolarHBondContact SG-NE2 2.91Å; H498-H503 AromaticContact CE1-NE2 3.91Å; H498-H503 AromaticContact NE2-CD2 3.59Å; H498-H503 AromaticContact NE2-NE2 3.42Å; H498-H503 PolarHBondContact NE2-NE2 2.84Å; C499-H503 CarbonylContact O-C 3.48Å; C499-H503 WeakPolarHBondContact O-CA 3.38Å; C499-H503 WeakPolarHBondContact O-CB 3.35Å; C499-H503 PolarHBondContact O-N 3.45Å; H503-Q505 WeakPolarHBondContact O-CG 3.49Å; H503-Q505 PolarHBondContact O-N 3.35Å; H503-Q505 VanDerWaalsContact O-N 3.15Å
504	N	83.5	Confident	74.8	Confident	146 Å²	146	88 Å²	88	78%	0.781	44%	0.44	S	S	*	.			trans	52.6	27.9	-175.2	-62.4	-27.2	0	0	0	114.4	C499 K500	C499-N504 PolarHBondContact O-N 2.81Å; K500-N504 WeakPolarHBondContact O-CA 3.02Å; K500-N504 PolarHBondContact O-OD1 3.42Å
505	Q	79.9	Confident	72.8	Confident	77 Å²	77	88.1 Å²	88.1	36%	0.36	44%	0.439	S	S	.	.			trans	-120.5	147.9	-175.9	-72.1	170.9	46.8	0	0	111.9	C499 K500 H503 P507 L520	C499-Q505 CarbonylContact C-O 3.36Å; C499-Q505 WeakPolarHBondContact CB-O 3.48Å; C499-Q505 PolarHBondContact O-N 3.38Å; K500-Q505 WeakPolarHBondContact CG-O 3.42Å; K500-Q505 PolarHBondContact N-O 3.1Å; H503-Q505 WeakPolarHBondContact O-CG 3.49Å; H503-Q505 PolarHBondContact O-N 3.35Å; H503-Q505 VanDerWaalsContact O-N 3.15Å; Q505-P507 VanDerWaalsContact O-CD 3.3Å; Q505-P507 WeakPolarHBondContact O-CD 3.49Å; Q505-L520 HydrophobicContact CB-CD1 3.65Å; Q505-L520 VanDerWaalsContact OE1-CD2 3.27Å
506	D	78.6	Confident	71.4	Confident	70 Å²	70	91.3 Å²	91.3	37%	0.374	47%	0.472	S	S	.	.			trans	-105	103.8	-176.5	-160.7	-26	0	0	0	112.8	K500 S508 G509	K500-D506 WeakPolarHBondContact CE-OD1 3.49Å; K500-D506 WeakPolarHBondContact CE-OD2 3.35Å; K500-D506 IonicContact NZ-OD1 3.04Å; K500-D506 PolarHBondContact NZ-OD1 2.8Å; K500-D506 IonicContact NZ-OD2 2.63Å; K500-D506 PolarHBondContact NZ-OD2 2.75Å; D506-S508 PolarHBondContact O-N 3.42Å; D506-S508 WeakPolarHBondContact OD1-CA 3.26Å; D506-S508 WeakPolarHBondContact OD1-CB 3.36Å; D506-S508 PolarHBondContact OD1-N 3Å; D506-S508 PolarHBondContact OD1-OG 2.75Å; D506-G509 PolarHBondContact O-N 3.05Å
507	P	74.7	Confident	69.9	Low	15 Å²	15	97.2 Å²	97.2	10%	0.097	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	10.5	176.5	32.6	-36.5	0	0	0	113.5	Y492 C499 Q505 L520 Y521	Y492-P507 PolarHBondContact OH-O 2.83Å; C499-P507 HydrophobicContact CB-CG 3.83Å; Q505-P507 VanDerWaalsContact O-CD 3.3Å; Q505-P507 WeakPolarHBondContact O-CD 3.49Å; P507-L520 HydrophobicContact CB-CB 4.24Å; P507-L520 HydrophobicContact CB-CD1 4.43Å; P507-Y521 HydrophobicContact CB-CD1 3.98Å; P507-Y521 HydrophobicContact CB-CE1 4.32Å
508	S	73.9	Confident	68.6	Low	73 Å²	73	95.9 Å²	95.9	51%	0.51	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	10.6	164.1	67.4	0	0	0	0	113.1	Y492 D506 R510	Y492-S508 WeakPolarHBondContact OH-CB 2.95Å; Y492-S508 PolarHBondContact OH-N 3.06Å; D506-S508 PolarHBondContact O-N 3.42Å; D506-S508 WeakPolarHBondContact OD1-CA 3.26Å; D506-S508 WeakPolarHBondContact OD1-CB 3.36Å; D506-S508 PolarHBondContact OD1-N 3Å; D506-S508 PolarHBondContact OD1-OG 2.75Å; S508-R510 PolarHBondContact O-N 2.73Å
509	G	65.2	Low	68	Low	49 Å²	49	98 Å²	98	51%	0.505	51%	0.511	S	S	.	.			trans	-47.7	133	176.4	0	0	0	0	0	113.3	D506 K511	D506-G509 PolarHBondContact O-N 3.05Å; G509-K511 PolarHBondContact O-N 2.92Å
510	R	51.1	Low	67.7	Low	245 Å²	245	99.2 Å²	99.2	93%	0.925	52%	0.517	S	S	*	.			trans	-71.9	90.2	-179.6	-170.1	-173.5	-158.2	177.5	5.6	108.8	S508 Q512	S508-R510 PolarHBondContact O-N 2.73Å; R510-Q512 PolarHBondContact O-N 3.22Å
511	K	52.3	Low	67.5	Low	120 Å²	120	98.9 Å²	98.9	52%	0.522	52%	0.515	S	S	.	.			trans	-46	113	179.9	-71.4	-162.5	173.8	-162.4	0	111	G509 N519	G509-K511 PolarHBondContact O-N 2.92Å; K511-N519 WeakPolarHBondContact CE-OD1 3.49Å; K511-N519 PolarHBondContact NZ-OD1 3.34Å
512	Q	47.9	Very low	67.4	Low	143 Å²	143	99.6 Å²	99.6	67%	0.668	51%	0.512	S	S	*	.			trans	-67.4	147.9	163.2	-165.4	150.7	-34.5	0	0	107.4	R510 D514 D515	R510-Q512 PolarHBondContact O-N 3.22Å; Q512-D514 PolarHBondContact O-N 3.38Å; Q512-D515 PolarHBondContact O-N 3.4Å
513	K	48.3	Very low	67.4	Low	197 Å²	197	99.5 Å²	99.5	86%	0.857	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.2	-161	-164.9	179.8	174.8	-166.2	0	113.6
514	D	47.1	Very low	67.4	Low	132 Å²	132	100 Å²	100	71%	0.706	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-2.9	-165.3	-40.6	-68.8	0	0	0	112.6	Q512 G516	Q512-D514 PolarHBondContact O-N 3.38Å; D514-G516 PolarHBondContact O-N 3.41Å
515	D	46.2	Very low	67.3	Low	80 Å²	80	97.4 Å²	97.4	43%	0.428	50%	0.502	S	S	.	.			trans	-79.9	95.3	176.5	-77.5	-9.9	0	0	0	111.6	Q512 D517 N518	Q512-D515 PolarHBondContact O-N 3.4Å; D515-D517 PolarHBondContact O-N 3.4Å; D515-N518 HydrophobicContact CB-CB 4.31Å; D515-N518 PolarHBondContact OD2-ND2 2.94Å
516	G	58.2	Low	66.6	Low	67 Å²	67	94.8 Å²	94.8	69%	0.691	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	131.9	162	0	0	0	0	0	111.4	D514 N518	D514-G516 PolarHBondContact O-N 3.41Å; G516-N518 VanDerWaalsContact C-N 3.3Å; G516-N518 PolarHBondContact O-N 3.07Å
517	D	55.7	Low	65.9	Low	140 Å²	140	102.7 Å²	102.7	75%	0.749	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	27.6	167.1	-65.9	-40.4	0	0	0	119.9	D515 N519	D515-D517 PolarHBondContact O-N 3.4Å; D517-N519 PolarHBondContact O-N 3.05Å; D517-N519 PolarHBondContact OD1-ND2 3.01Å
518	N	58.8	Low	64.9	Low	91 Å²	91	105.1 Å²	105.1	49%	0.487	54%	0.535	S	S	.	.			trans	-67.3	46	153.3	-89.8	-29.6	0	0	0	112.3	D515 G516	D515-N518 HydrophobicContact CB-CB 4.31Å; D515-N518 PolarHBondContact OD2-ND2 2.94Å; G516-N518 VanDerWaalsContact C-N 3.3Å; G516-N518 PolarHBondContact O-N 3.07Å
519	N	74.9	Confident	63.9	Low	63 Å²	63	104.9 Å²	104.9	34%	0.337	52%	0.524	S	S	.	.			trans	-99.4	84.9	173.6	-78.7	-41.9	0	0	0	109.3	L483 K511 D517 Y521	L483-N519 WeakPolarHBondContact CD1-O 3.29Å; K511-N519 WeakPolarHBondContact CE-OD1 3.49Å; K511-N519 PolarHBondContact NZ-OD1 3.34Å; D517-N519 PolarHBondContact O-N 3.05Å; D517-N519 PolarHBondContact OD1-ND2 3.01Å; N519-Y521 PolarHBondContact O-N 2.87Å
520	L	79.5	Confident	62.5	Low	27 Å²	27	112.9 Å²	112.9	14%	0.141	55%	0.545	C	S	.	.			trans	-65.3	-1.5	-178.3	-52.1	-176.3	0	0	0	114.7	L483 L484 Q505 P507	L483-L520 PolarHBondContact N-O 2.96Å; L484-L520 HydrophobicContact CD2-CD2 4.45Å; Q505-L520 HydrophobicContact CB-CD1 3.65Å; Q505-L520 VanDerWaalsContact OE1-CD2 3.27Å; P507-L520 HydrophobicContact CB-CB 4.24Å; P507-L520 HydrophobicContact CB-CD1 4.43Å
521	Y	84.1	Confident	61.6	Low	73 Å²	73	109.5 Å²	109.5	29%	0.286	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.8	178.5	73.5	-81.3	0	0	0	112.6	Y480 Q481 Y492 L495 P507 N519	Y480-Y521 HydrophobicContact CD1-CD2 4.18Å; Y480-Y521 HydrophobicContact CD1-CE2 4.21Å; Y480-Y521 HydrophobicContact CE1-CE2 4.39Å; Q481-Y521 CarbonylContact O-C 3.58Å; Q481-Y521 WeakPolarHBondContact O-CA 3.41Å; Q481-Y521 VanDerWaalsContact O-CB 3.29Å; Q481-Y521 WeakPolarHBondContact O-CB 3.37Å; Y492-Y521 HydrophobicContact CD2-CE1 4.42Å; Y492-Y521 HydrophobicContact CD2-CE2 4.27Å; Y492-Y521 HydrophobicContact CE2-CD1 4.42Å; Y492-Y521 AromaticContact CE2-CE1 3.77Å; Y492-Y521 HydrophobicContact CE2-CE1 3.77Å; Y492-Y521 HydrophobicContact CE2-CE2 4.41Å; Y492-Y521 AromaticContact CE2-CZ 3.75Å; L495-Y521 HydrophobicContact CD2-CD1 4.03Å; L495-Y521 HydrophobicContact CD2-CD2 3.59Å; L495-Y521 HydrophobicContact CD2-CE2 4.35Å; L495-Y521 HydrophobicContact CD2-CG 3.4Å; P507-Y521 HydrophobicContact CB-CD1 3.98Å; P507-Y521 HydrophobicContact CB-CE1 4.32Å; N519-Y521 PolarHBondContact O-N 2.87Å
522	R	85.8	Confident	60.6	Low	145 Å²	145	109.6 Å²	109.6	55%	0.547	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	135.1	172	175	179.5	-70.6	-174.9	-3.1	109	Q481 L483 L524	Q481-R522 HydrophobicContact CB-CB 4.42Å; Q481-R522 PolarHBondContact N-O 3.41Å; Q481-R522 PolarHBondContact O-N 2.78Å; L483-R522 HydrophobicContact CD2-CB 3.82Å; L483-R522 HydrophobicContact CG-CB 4.32Å; R522-L524 HydrophobicContact CG-CD2 4.21Å
523	L	86.3	Confident	59.7	Low	90 Å²	90	110.2 Å²	110.2	47%	0.471	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	111.7	174	177.7	57.7	0	0	0	109.6	R479 Y480	R479-L523 HydrophobicContact CB-CD1 3.97Å; R479-L523 CarbonylContact O-C 3.6Å; R479-L523 WeakPolarHBondContact O-CA 3.37Å; Y480-L523 HydrophobicContact CD1-CD1 4.01Å; Y480-L523 HydrophobicContact CD2-CD1 4.26Å; Y480-L523 HydrophobicContact CE1-CD1 3.8Å; Y480-L523 HydrophobicContact CE1-CD2 4.47Å; Y480-L523 HydrophobicContact CE2-CD1 4.07Å; Y480-L523 HydrophobicContact CG-CD1 4.24Å
524	L	83.1	Confident	59.1	Low	58 Å²	58	106.1 Å²	106.1	30%	0.304	54%	0.542	S	S	.	.			trans	-75.9	147.4	178.2	-58.8	176.4	0	0	0	111.4	R479 M488 R522	R479-L524 HydrophobicContact CB-CB 4.45Å; R479-L524 PolarHBondContact O-N 3.5Å; M488-L524 HydrophobicContact SD-CD1 4.26Å; R522-L524 HydrophobicContact CG-CD2 4.21Å
525	P	80.9	Confident	58.2	Low	90 Å²	90	104 Å²	104	58%	0.584	53%	0.533	S	S	*	.			trans	-55.2	153.4	172.8	-26.6	35.7	0	0	0	113.1
526	C	67.3	Low	57.8	Low	22 Å²	22	107.2 Å²	107.2	15%	0.149	55%	0.55	C	S	.	*			trans	-91.2	111.9	175.3	-175	0	0	0	0	109.5	E477 S528 K529	E477-C526 PolarHBondContact OE2-SG 3.39Å; C526-S528 PolarHBondContact O-N 3.38Å; C526-K529 CarbonylContact O-C 3.48Å; C526-K529 PolarHBondContact O-N 2.81Å; C526-K529 VanDerWaalsContact O-O 3.13Å
527	R	62.2	Low	56.6	Low	236 Å²	236	111.6 Å²	111.6	89%	0.891	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-26	179.4	-56.1	-176.3	89.2	-179.8	5.5	110.8	E477 K529	E477-R527 WeakPolarHBondContact OE1-CB 3.05Å; E477-R527 WeakPolarHBondContact OE1-CG 3.43Å; E477-R527 PolarHBondContact OE1-N 3.05Å; R527-K529 VanDerWaalsContact C-N 3.26Å; R527-K529 PolarHBondContact O-N 3.13Å
528	S	55	Low	55.5	Low	67 Å²	67	110.9 Å²	110.9	47%	0.469	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-7	173.5	-43.5	0	0	0	0	115.3	C526	C526-S528 PolarHBondContact O-N 3.38Å
529	K	51.8	Low	54.5	Low	68 Å²	68	110 Å²	110	30%	0.296	58%	0.576	S	S	.	*			trans	-143.1	104.1	172.8	-71.9	-163.7	173.3	-173.8	0	112.2	T468 C526 R527 K531	T468-K529 HydrophobicContact CG2-CD 3.96Å; T468-K529 PolarHBondContact OG1-NZ 2.82Å; C526-K529 CarbonylContact O-C 3.48Å; C526-K529 PolarHBondContact O-N 2.81Å; C526-K529 VanDerWaalsContact O-O 3.13Å; R527-K529 VanDerWaalsContact C-N 3.26Å; R527-K529 PolarHBondContact O-N 3.13Å; K529-K531 VanDerWaalsContact C-N 3.31Å; K529-K531 PolarHBondContact O-N 3.09Å
530	K	36.5	Very low	52.2	Low	216 Å²	216	113.5 Å²	113.5	94%	0.939	60%	0.599	S	S	*	*			trans	-58.8	92.9	160.5	-70.2	-173.6	179.4	-176.9	0	109.4
531	K	32.7	Very low	49.7	Very low	174 Å²	174	117.5 Å²	117.5	76%	0.757	63%	0.627	S	S	*	*			trans	-95	111.6	159.1	-75.9	-168.2	172.2	-164.3	0	107.2	K529 Y533	K529-K531 VanDerWaalsContact C-N 3.31Å; K529-K531 PolarHBondContact O-N 3.09Å; K531-Y533 PolarHBondContact O-N 3.03Å
532	S	31.2	Very low	47.1	Very low	122 Å²	122	121.8 Å²	121.8	85%	0.853	65%	0.654	S	S	*	*			trans	-70.8	80.8	168.9	50.3	0	0	0	0	109.6
533	Y	28.6	Very low	44.4	Very low	156 Å²	156	122 Å²	122	61%	0.612	66%	0.664	S	S	*	*			trans	-86.5	118.8	150.9	84.7	-79.5	0	0	0	106	K531 T535	K531-Y533 PolarHBondContact O-N 3.03Å; Y533-T535 HydrophobicContact CE2-CG2 4.13Å; Y533-T535 WeakPolarHBondContact CE2-OG1 3.41Å; Y533-T535 VanDerWaalsContact CZ-OG1 3.23Å; Y533-T535 PolarHBondContact O-N 3.41Å; Y533-T535 PolarHBondContact OH-OG1 3.41Å
534	V	34.8	Very low	42	Very low	112 Å²	112	121 Å²	121	68%	0.679	67%	0.665	S	S	*	*			trans	-66.4	126.9	171.4	-179.5	0	0	0	0	106.4	D536	V534-D536 VanDerWaalsContact CG1-OD2 3.31Å; V534-D536 WeakPolarHBondContact CG1-OD2 3.48Å; V534-D536 PolarHBondContact O-N 3.19Å
535	T	29.3	Very low	39.9	Very low	86 Å²	86	128.3 Å²	128.3	53%	0.528	70%	0.698	S	S	.	*			trans	-97.6	69.2	177.6	-48.8	0	0	0	0	108.8	Y533 L537	Y533-T535 HydrophobicContact CE2-CG2 4.13Å; Y533-T535 WeakPolarHBondContact CE2-OG1 3.41Å; Y533-T535 VanDerWaalsContact CZ-OG1 3.23Å; Y533-T535 PolarHBondContact O-N 3.41Å; Y533-T535 PolarHBondContact OH-OG1 3.41Å; T535-L537 PolarHBondContact O-N 3.47Å
536	D	38.1	Very low	38.2	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	70%	0.704	S	S	*	*			trans	-75.1	82	167.7	-71.5	-36.9	0	0	0	108.9	V534	V534-D536 VanDerWaalsContact CG1-OD2 3.31Å; V534-D536 WeakPolarHBondContact CG1-OD2 3.48Å; V534-D536 PolarHBondContact O-N 3.19Å
537	L	32.7	Very low	36.9	Very low	159 Å²	159	132.6 Å²	132.6	83%	0.832	73%	0.731	S	S	*	*			trans	-151.1	110.6	163.4	-106.3	159.1	0	0	0	107.3	T535	T535-L537 PolarHBondContact O-N 3.47Å
538	S	33.1	Very low	35.4	Very low	125 Å²	125	126.6 Å²	126.6	87%	0.874	73%	0.725	S	S	*	*			trans	-72.8	158.5	-168.3	49.8	0	0	0	0	113.8
539	G	36.8	Very low	34.1	Very low	73 Å²	73	132.6 Å²	132.6	75%	0.753	75%	0.748	S	S	*	*			trans	110.4	62.5	153.7	0	0	0	0	0	117.4
540	T	26.5	Very low	32.9	Very low	136 Å²	136	138.7 Å²	138.7	83%	0.834	78%	0.778	S	S	*	*			trans	-146.5	117.4	148	-47.6	0	0	0	0	108.8
541	P	27.2	Very low	32.4	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	77%	0.774	S	S	*	*			trans	-72.7	135.8	-177.6	29.1	-33.6	0	0	0	110.9	I543	P541-I543 PolarHBondContact O-N 3.26Å
542	L	29	Very low	32.1	Very low	163 Å²	163	138 Å²	138	85%	0.853	78%	0.783	S	S	*	*			trans	-76.7	113.3	164.7	-172.8	74.9	0	0	0	107.7	S544	L542-S544 PolarHBondContact O-N 3.39Å
543	I	30.5	Very low	31.9	Very low	149 Å²	149	137 Å²	137	76%	0.764	78%	0.776	S	S	*	*			trans	-82.4	114.8	172.1	-60.5	173.8	0	0	0	107.6	P541	P541-I543 PolarHBondContact O-N 3.26Å
544	S	35	Very low	32.1	Very low	70 Å²	70	136 Å²	136	49%	0.49	79%	0.788	S	S	.	*			trans	-78.9	151.7	166.6	-60.3	0	0	0	0	110.5	L542 D546 G547	L542-S544 PolarHBondContact O-N 3.39Å; S544-D546 WeakPolarHBondContact CB-OD1 3.31Å; S544-D546 PolarHBondContact O-N 3.35Å; S544-G547 PolarHBondContact O-N 2.66Å
545	E	39.9	Very low	31.9	Very low	212 Å²	212	134.9 Å²	134.9	99%	0.991	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	0.7	-170.9	-57.7	-167	138.4	0	0	114.7
546	D	43.7	Very low	32	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	1.8	-177.7	55.6	-16.5	0	0	0	114.6	S544 S548	S544-D546 WeakPolarHBondContact CB-OD1 3.31Å; S544-D546 PolarHBondContact O-N 3.35Å; D546-S548 PolarHBondContact O-N 3.42Å
547	G	40	Very low	31.7	Very low	70 Å²	70	141.4 Å²	141.4	72%	0.722	81%	0.813	S	S	*	*			trans	69.3	33.6	148.6	0	0	0	0	0	118.5	S544	S544-G547 PolarHBondContact O-N 2.66Å
548	S	30.9	Very low	31.5	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	81%	0.814	S	S	*	*			trans	-113.2	143.9	172.1	63.2	0	0	0	0	113.1	D546	D546-S548 PolarHBondContact O-N 3.42Å
549	M	28.1	Very low	31.2	Very low	193 Å²	193	141 Å²	141	95%	0.951	81%	0.809	S	S	*	*			trans	-112.2	148.6	175.4	-80.3	-177.5	169	0	0	110.3
550	Q	27.2	Very low	30.8	Very low	195 Å²	195	146.2 Å²	146.2	91%	0.911	82%	0.816	S	S	*	*			trans	-142.4	120.5	170.1	-155.4	168.9	21.7	0	0	110.5
551	E	25.7	Very low	30.8	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	82%	0.82	S	S	*	*			trans	-83.9	155.6	171.4	-61.5	-178.4	118.8	0	0	111
552	M	25.3	Very low	30.7	Very low	188 Å²	188	149.1 Å²	149.1	93%	0.926	82%	0.822	S	S	*	*			trans	-155.7	159.1	154	-104.4	-64.5	-166.7	0	0	109.6
553	S	26.6	Very low	30.5	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	82%	0.823	S	S	*	*			trans	-108.2	165.4	-160.1	56.8	0	0	0	0	114.5
554	P	34.2	Very low	30.4	Very low	135 Å²	135	145 Å²	145	88%	0.877	83%	0.827	S	S	*	*			trans	-86.5	117.4	-172.3	32.3	-33.6	0	0	0	113.7
555	A	29.6	Very low	30.1	Very low	89 Å²	89	151.2 Å²	151.2	74%	0.736	85%	0.848	S	S	*	*			trans	-142.2	169.4	159.3	0	0	0	0	0	108.7
556	E	30.9	Very low	29.6	Very low	200 Å²	200	146.5 Å²	146.5	94%	0.935	84%	0.838	S	S	*	*			trans	66.1	39.6	178.6	-54.7	-173.1	179.4	0	0	116
557	M	32.3	Very low	28.8	Very low	171 Å²	171	143.7 Å²	143.7	84%	0.842	84%	0.841	S	S	*	*			trans	-76.9	164.5	135.1	67.6	-176.8	-173	0	0	109.5
558	E	29.5	Very low	28.4	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	85%	0.845	S	S	*	*			trans	82.4	68	-172.5	-63.2	-68.8	133.9	0	0	116.8
559	A	26.8	Very low	28.4	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	84%	0.837	S	S	*	*			trans	-152.4	143.5	151.9	0	0	0	0	0	113.5
560	M	27.3	Very low	28.9	Very low	182 Å²	182	149 Å²	149	90%	0.897	82%	0.822	S	S	*	*			trans	66.2	41.5	159.9	-46.8	-151.1	82.2	0	0	120.1	S562	M560-S562 VanDerWaalsContact C-N 3.32Å; M560-S562 PolarHBondContact O-N 3.25Å
561	H	27.5	Very low	29.2	Very low	198 Å²	198	144.6 Å²	144.6	92%	0.917	81%	0.805	S	S	*	*			trans	-70	86.2	149.8	-99.4	-67.6	0	0	0	110.8
562	S	24.4	Very low	29.8	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	79%	0.791	S	S	*	*			trans	176.2	117.1	149.6	36	0	0	0	0	114.8	M560	M560-S562 VanDerWaalsContact C-N 3.32Å; M560-S562 PolarHBondContact O-N 3.25Å
563	S	25.7	Very low	30.5	Very low	126 Å²	126	137.3 Å²	137.3	88%	0.881	78%	0.775	S	S	*	*			trans	-166.4	156.2	144.7	36.1	0	0	0	0	109.5
564	A	27.8	Very low	31.1	Very low	101 Å²	101	140.4 Å²	140.4	84%	0.835	78%	0.776	S	S	*	*			trans	-75.6	140.7	-162.2	0	0	0	0	0	114.1	S566	A564-S566 PolarHBondContact O-N 3.14Å; A564-S566 VanDerWaalsContact O-N 3.14Å
565	Q	29.7	Very low	31.1	Very low	199 Å²	199	139 Å²	139	93%	0.93	77%	0.765	S	S	*	*			trans	-67.5	106.2	165.8	-70.6	178.8	-16.9	0	0	109.9
566	S	28.2	Very low	31.4	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	76%	0.761	S	S	*	*			trans	-76.3	128.7	164.8	-168.6	0	0	0	0	109.4	A564 M568	A564-S566 PolarHBondContact O-N 3.14Å; A564-S566 VanDerWaalsContact O-N 3.14Å; S566-M568 PolarHBondContact O-N 3.12Å
567	G	27.9	Very low	31.5	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	76%	0.759	S	S	*	*			trans	-70.7	113.9	-174.4	0	0	0	0	0	112.4
568	M	31.5	Very low	31.8	Very low	167 Å²	167	134.1 Å²	134.1	82%	0.823	76%	0.758	S	S	*	*			trans	-66.2	135.4	174.7	-62.8	-165.9	78.4	0	0	111.3	S566	S566-M568 PolarHBondContact O-N 3.12Å
569	Y	29.4	Very low	32.1	Very low	148 Å²	148	129.6 Å²	129.6	58%	0.58	75%	0.752	S	S	*	*			trans	-91.4	150.2	-175.7	177.6	-109.1	0	0	0	111.7	D571 D572	Y569-D571 VanDerWaalsContact C-N 3.32Å; Y569-D571 HydrophobicContact CD1-CB 4.18Å; Y569-D571 HydrophobicContact CE1-CB 3.8Å; Y569-D571 WeakPolarHBondContact CE1-OD2 3.3Å; Y569-D571 VanDerWaalsContact CZ-OD2 3.32Å; Y569-D571 PolarHBondContact O-N 3.47Å; Y569-D571 PolarHBondContact OH-OD2 3.49Å; Y569-D572 PolarHBondContact O-N 2.71Å
570	W	39.5	Very low	32.1	Very low	169 Å²	169	133.7 Å²	133.7	64%	0.64	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-19.5	-162.1	-80.6	100.7	0	0	0	116	L573	W570-L573 HydrophobicContact CE3-CD1 3.89Å; W570-L573 HydrophobicContact CZ3-CD1 3.98Å
571	D	34	Very low	32.2	Very low	103 Å²	103	133.4 Å²	133.4	55%	0.551	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-20.8	-177.1	-69.9	-44.3	0	0	0	113.1	Y569 L573	Y569-D571 VanDerWaalsContact C-N 3.32Å; Y569-D571 HydrophobicContact CD1-CB 4.18Å; Y569-D571 HydrophobicContact CE1-CB 3.8Å; Y569-D571 WeakPolarHBondContact CE1-OD2 3.3Å; Y569-D571 VanDerWaalsContact CZ-OD2 3.32Å; Y569-D571 PolarHBondContact O-N 3.47Å; Y569-D571 PolarHBondContact OH-OD2 3.49Å; D571-L573 VanDerWaalsContact C-N 3.31Å; D571-L573 PolarHBondContact O-N 2.93Å
572	D	37.1	Very low	32.3	Very low	109 Å²	109	132.4 Å²	132.4	58%	0.583	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-73.8	-19.5	-179.1	-66.3	-44.4	0	0	0	113.7	Y569 F574	Y569-D572 PolarHBondContact O-N 2.71Å; D572-F574 PolarHBondContact O-N 3.02Å
573	L	41.2	Very low	32.6	Very low	113 Å²	113	132.9 Å²	132.9	59%	0.592	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-72.5	-4.6	-176.9	-79.4	166.2	0	0	0	114.9	W570 D571	W570-L573 HydrophobicContact CE3-CD1 3.89Å; W570-L573 HydrophobicContact CZ3-CD1 3.98Å; D571-L573 VanDerWaalsContact C-N 3.31Å; D571-L573 PolarHBondContact O-N 2.93Å
574	F	38	Very low	32.6	Very low	166 Å²	166	134.6 Å²	134.6	73%	0.728	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-131.9	7.3	-173.8	-67.5	-72.6	0	0	0	115.7	D572	D572-F574 PolarHBondContact O-N 3.02Å
575	T	35.6	Very low	32.6	Very low	105 Å²	105	135.1 Å²	135.1	64%	0.644	75%	0.746	S	S	*	*			trans	-84	133.1	172.8	-59.2	0	0	0	0	110.3
576	E	34	Very low	32.5	Very low	139 Å²	139	135.2 Å²	135.2	65%	0.65	75%	0.747	S	S	*	*			trans	-73.5	127.1	173.3	-71.7	-167	153.2	0	0	109.8	G578	E576-G578 PolarHBondContact O-N 3.18Å
577	P	34.5	Very low	32.4	Very low	138 Å²	138	135 Å²	135	90%	0.896	75%	0.746	S	S	*	*	S	Bend	trans	-72.1	112	176.4	-14.6	29.2	0	0	0	110.7
578	G	38.3	Very low	33	Very low	81 Å²	81	137 Å²	137	84%	0.835	75%	0.745	S	S	*	*			trans	139.3	55	172.1	0	0	0	0	0	115.8	E576	E576-G578 PolarHBondContact O-N 3.18Å
579	A	34.8	Very low	32.7	Very low	87 Å²	87	134.4 Å²	134.4	72%	0.719	74%	0.743	S	S	*	*			trans	-148.1	46.8	176	0	0	0	0	0	114.2
580	H	27.6	Very low	32.5	Very low	181 Å²	181	135.7 Å²	135.7	84%	0.838	76%	0.757	S	S	*	*			trans	-170.4	113.1	150.4	-99.8	-64.3	0	0	0	110.1
581	M	28.9	Very low	32	Very low	176 Å²	176	133.5 Å²	133.5	87%	0.867	77%	0.767	S	S	*	*			trans	-98.9	140.9	152.1	-69.7	-81.7	93.4	0	0	106.8
582	Q	29.9	Very low	31.5	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	78%	0.778	S	S	*	*			trans	-85.7	153.6	168.2	-74.8	-173.2	-96.1	0	0	110.1
583	P	32	Very low	31.9	Very low	119 Å²	119	134 Å²	134	77%	0.773	78%	0.784	S	S	*	*			trans	-86.3	108.7	171	32.9	-29.4	0	0	0	109.9
584	D	25.6	Very low	31.2	Very low	163 Å²	163	134.4 Å²	134.4	87%	0.872	79%	0.792	S	S	*	*			trans	-79	133.5	163	-70.8	-45	0	0	0	109.4
585	S	27.1	Very low	30.9	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	80%	0.798	S	S	*	*			trans	-135.9	85.2	-175.5	65.4	0	0	0	0	111.8
586	E	27.2	Very low	30.5	Very low	201 Å²	201	133.8 Å²	133.8	94%	0.939	80%	0.803	S	S	*	*			trans	-147.5	146	161.3	-117.9	166.3	-143.3	0	0	111.1
587	S	27	Very low	30.6	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	81%	0.808	S	S	*	*			trans	-151.8	164.1	-173.1	75	0	0	0	0	107
588	P	39.8	Very low	30.5	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	81%	0.806	S	S	*	*			cis	-147.5	-178.1	31	43.4	-24.1	0	0	0	116.7
589	S	24.6	Very low	29.9	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	81%	0.81	S	S	*	*				179.9	146.2	118.2	41.3	0	0	0	0	114.7
590	M	26.6	Very low	29.8	Very low	176 Å²	176	144.8 Å²	144.8	87%	0.867	82%	0.816	S	S	*	*			trans	-9.4	133.3	166.8	-49.6	-54.4	167.3	0	0	117.8
591	S	27.6	Very low	29.8	Very low	123 Å²	123	144.7 Å²	144.7	86%	0.86	82%	0.816	S	S	*	*				-173.2	177.3	64.7	44.8	0	0	0	0	113.1
592	S	24.9	Very low	29.8	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	81%	0.811	S	S	*	*			trans	-148.9	175.4	-176.7	70.5	0	0	0	0	110.2
593	P	44	Very low	29.8	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	81%	0.807	S	S	*	*			cis	-125.7	-164.8	-18	40.2	-24.6	0	0	0	111.3
594	T	28.3	Very low	29.6	Very low	123 Å²	123	144 Å²	144	76%	0.755	80%	0.804	S	S	*	*				175.9	155.8	126.6	-73.2	0	0	0	0	112.6
595	Q	31.7	Very low	30.3	Very low	185 Å²	185	145.3 Å²	145.3	86%	0.864	82%	0.821	S	S	*	*			trans	-52.4	162.8	-169.6	-62.1	152.1	-10	0	0	118.3
596	G	26.1	Very low	30.4	Very low	72 Å²	72	147.1 Å²	147.1	74%	0.742	82%	0.824	S	S	*	*			trans	-90.4	-147.8	169.3	0	0	0	0	0	113.2
597	P	36.9	Very low	30.6	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	82%	0.818	S	S	*	*			cis	-130.8	-174.2	12.8	44.2	-28.3	0	0	0	115.6
598	M	31.5	Very low	30.8	Very low	174 Å²	174	146.1 Å²	146.1	86%	0.857	82%	0.82	S	S	*	*			trans	31.2	123.1	156.5	-65.8	-174.5	-64	0	0	121.1
599	E	26.5	Very low	30.3	Very low	198 Å²	198	148 Å²	148	93%	0.925	83%	0.825	S	S	*	*				-164.9	173.1	110.6	-110.8	172.4	-177.8	0	0	113
600	F	31.4	Very low	30.6	Very low	190 Å²	190	150.2 Å²	150.2	83%	0.833	83%	0.827	S	S	*	*			trans	-96.3	146.7	179.4	-94.9	-110.3	0	0	0	111
601	E	27.3	Very low	30.9	Very low	179 Å²	179	148.5 Å²	148.5	84%	0.836	83%	0.825	S	S	*	*			trans	-146.9	147.1	142	-157.1	160.7	-145.5	0	0	112.3
602	Y	29.7	Very low	31.1	Very low	197 Å²	197	150.3 Å²	150.3	77%	0.773	82%	0.822	S	S	*	*			trans	-111.1	117.7	-177.1	-123.8	-93.3	0	0	0	108.4
603	I	29.7	Very low	31.6	Very low	143 Å²	143	153.3 Å²	153.3	73%	0.733	83%	0.826	S	S	*	*			trans	-129.3	118.8	170.8	-57.9	-178	0	0	0	109.3
604	T	29.1	Very low	30.6	Very low	117 Å²	117	156.9 Å²	156.9	72%	0.718	84%	0.835	S	S	*	*			trans	-95.8	135.9	-178.3	-42.8	0	0	0	0	111.2
605	P	38.4	Very low	30.8	Very low	190 Å²	190	160 Å²	160	100%	1.234	84%	0.842	S	S	*	*			trans	-109.3	0	146.9	-5.3	26	0	0	0	112.1

Retrieved 605 of 605 residues in 795.8 ms (Link to these results)

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