A0A096MNV5_PAPAN Loading...

Zinc finger protein 496

DNA-binding transcription factor that can both act as an activator and a repressor.

AlphaFold DB , UniProt , Accession A0A096MNV5, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF496, Length 587 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.5	Very low	39.8	Very low	211 Å²	211	143 Å²	143	100%	1.039	82%	0.82	S	S	*	*				0	139.7	0	-57.9	-42.9	-169	0	0	108.3
2	P	48.8	Very low	39.6	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	82%	0.822	S	S	*	*			cis	-58.8	157.7	1.3	-22.3	35.8	0	0	0	112.9
3	T	37.8	Very low	39.3	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	82%	0.82	S	S	*	*			cis	80.1	121.1	26.7	-46.7	0	0	0	0	112.3
4	A	37	Very low	39.2	Very low	80 Å²	80	146.1 Å²	146.1	66%	0.661	82%	0.815	S	S	*	*			cis	-166.2	-156.6	-11.8	0	0	0	0	0	109.5
5	L	34.7	Very low	39.2	Very low	169 Å²	169	144.1 Å²	144.1	89%	0.885	82%	0.815	S	S	*	*			trans	92.7	93.7	161.3	-51.9	-179.8	0	0	0	119
6	C	33.4	Very low	38.8	Very low	124 Å²	124	147.2 Å²	147.2	84%	0.838	82%	0.82	S	S	*	*			trans	-108.4	175.2	143.1	-68.8	0	0	0	0	108
7	P	53.7	Low	39	Very low	118 Å²	118	148.7 Å²	148.7	77%	0.766	82%	0.82	S	S	*	*			cis	-128	178.1	-32.2	37.3	-23.1	0	0	0	112
8	R	33.1	Very low	38.7	Very low	244 Å²	244	146.6 Å²	146.6	92%	0.921	81%	0.814	S	S	*	*			trans	-159.9	118.8	141.3	-122.3	169.1	-176.3	150	2.9	116.6
9	V	37	Very low	38.6	Very low	125 Å²	125	150.8 Å²	150.8	76%	0.758	82%	0.816	S	S	*	*			trans	0	123.4	146.8	-173.3	0	0	0	0	118.1
10	L	33	Very low	38.9	Very low	177 Å²	177	153.4 Å²	153.4	93%	0.927	82%	0.819	S	S	*	*			trans	-138.1	141.7	134.3	-76.7	-178	0	0	0	108.7
11	A	43.9	Very low	38.7	Very low	89 Å²	89	154.7 Å²	154.7	74%	0.736	82%	0.823	S	S	*	*			trans	-112.4	136.8	178.8	0	0	0	0	0	110.7
12	P	37	Very low	38.2	Very low	130 Å²	130	156.4 Å²	156.4	84%	0.844	82%	0.818	S	S	*	*			trans	-81.6	143.9	168	-7.3	25.5	0	0	0	111.2
13	K	36.2	Very low	37.6	Very low	183 Å²	183	155.3 Å²	155.3	80%	0.796	81%	0.813	S	S	*	*			trans	-94.2	141.3	164.6	-77.6	-167.4	170.5	-157.6	0	111
14	E	37.5	Very low	37.7	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.743	81%	0.814	S	S	*	*			trans	35.7	138.4	135.8	-57.1	176.2	111.2	0	0	121.8
15	S	39.2	Very low	37.7	Very low	117 Å²	117	157.4 Å²	157.4	82%	0.818	82%	0.821	S	S	*	*			trans	60.4	104.8	151.9	60.1	0	0	0	0	120.3
16	E	32.4	Very low	38	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	81%	0.813	S	S	*	*				-147.9	152.8	114.3	-83.9	-133.3	116.8	0	0	109.7
17	E	42.3	Very low	37.9	Very low	173 Å²	173	155.8 Å²	155.8	81%	0.808	82%	0.815	S	S	*	*			trans	-76.3	149.1	177.3	-78.7	-174.2	79.6	0	0	112.7
18	P	35	Very low	36.8	Very low	110 Å²	110	156.9 Å²	156.9	71%	0.714	82%	0.815	S	S	*	*			trans	-128.7	107.4	144.8	34	-22.1	0	0	0	114.1
19	R	35.6	Very low	36.9	Very low	227 Å²	227	151 Å²	151	86%	0.857	81%	0.809	S	S	*	*			trans	67.6	106.2	138.8	-56.7	174.8	-173.9	-172.2	0.4	117.6	M21	R19-M21 PolarHBondContact O-N 3.14Å
20	K	44.8	Very low	36.7	Very low	203 Å²	203	150.2 Å²	150.2	88%	0.883	81%	0.808	S	S	*	*			trans	-50.7	100.7	161.8	-68.9	170.7	179.3	168.9	0	111.9
21	M	34.4	Very low	37.2	Very low	181 Å²	181	147.4 Å²	147.4	89%	0.892	80%	0.801	S	S	*	*			trans	-71.2	133.4	160.7	-75.6	-78.8	-90.5	0	0	108.7	R19 S23	R19-M21 PolarHBondContact O-N 3.14Å; M21-S23 PolarHBondContact O-N 3.4Å
22	R	35.8	Very low	36.9	Very low	247 Å²	247	152 Å²	152	93%	0.932	81%	0.807	S	S	*	*			trans	-79.7	112	-175.5	-174.7	-178.7	-169.8	167.9	2.2	109.3
23	S	35.8	Very low	37	Very low	100 Å²	100	149.1 Å²	149.1	70%	0.699	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-53.8	144.6	171.6	-50	0	0	0	0	110.8	M21	M21-S23 PolarHBondContact O-N 3.4Å
24	P	40.1	Very low	37.4	Very low	111 Å²	111	149.2 Å²	149.2	72%	0.721	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-57.7	153.9	164.4	27.4	-33.9	0	0	0	109.8	G26	P24-G26 PolarHBondContact O-N 3.19Å
25	P	38.1	Very low	38.3	Very low	125 Å²	125	148.4 Å²	148.4	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.2	139.4	177	27.7	-34.7	0	0	0	109.4	E27	P25-E27 PolarHBondContact O-N 3.32Å; P25-E27 VanDerWaalsContact O-N 3.13Å
26	G	39.8	Very low	39.8	Very low	68 Å²	68	145.4 Å²	145.4	70%	0.701	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-62.3	117.3	-175.9	0	0	0	0	0	111.5	P24 N28	P24-G26 PolarHBondContact O-N 3.19Å; G26-N28 PolarHBondContact O-N 3.47Å
27	E	32.1	Very low	42.2	Very low	191 Å²	191	139.2 Å²	139.2	89%	0.893	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-57.3	121.2	145	-65.7	-175	122.5	0	0	106.2	P25	P25-E27 PolarHBondContact O-N 3.32Å; P25-E27 VanDerWaalsContact O-N 3.13Å
28	N	30.9	Very low	44.1	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-57.3	142.4	178	-61.4	-75.7	0	0	0	108.5	G26 S30	G26-N28 PolarHBondContact O-N 3.47Å; N28-S30 PolarHBondContact O-N 3.2Å
29	P	34.9	Very low	46.3	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-55.2	119	166.8	25	-32.7	0	0	0	107.7
30	S	31.1	Very low	48.6	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-47.7	135.6	-179	-63.2	0	0	0	0	109.7	N28 Q32	N28-S30 PolarHBondContact O-N 3.2Å; S30-Q32 PolarHBondContact O-N 3.07Å; S30-Q32 VanDerWaalsContact O-N 3.17Å
31	P	43.6	Very low	50.7	Low	118 Å²	118	111.8 Å²	111.8	77%	0.766	65%	0.645	S	S	*	*	S	Bend	trans	-56	123.2	-159.1	21.7	-34.2	0	0	0	111.3	G33	P31-G33 PolarHBondContact O-N 2.99Å
32	Q	38.7	Very low	53.2	Low	184 Å²	184	103.7 Å²	103.7	86%	0.86	61%	0.605	S	S	*	*	S	Bend	trans	14.3	78.2	166.4	-75.8	-75.9	4	0	0	112.7	S30 E34	S30-Q32 PolarHBondContact O-N 3.07Å; S30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-E34 PolarHBondContact O-N 3.24Å
33	G	38.4	Very low	55.6	Low	71 Å²	71	96.4 Å²	96.4	73%	0.732	58%	0.577	S	S	*	*			trans	-48	107.1	-166.1	0	0	0	0	0	111.4	P31 L35	P31-G33 PolarHBondContact O-N 2.99Å; G33-L35 PolarHBondContact O-N 2.89Å; G33-L35 VanDerWaalsContact O-N 3.15Å
34	E	44.5	Very low	58.1	Low	184 Å²	184	95.9 Å²	95.9	86%	0.86	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.3	123.3	-169.1	-66.6	-171.7	131.6	0	0	108.9	Q32 P36	Q32-E34 PolarHBondContact O-N 3.24Å; E34-P36 WeakPolarHBondContact O-CD 3.47Å
35	L	57.1	Low	60.5	Low	143 Å²	143	94 Å²	94	75%	0.749	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-52.9	117.9	179.1	-91.9	109.5	0	0	0	107.9	G33 S37	G33-L35 PolarHBondContact O-N 2.89Å; G33-L35 VanDerWaalsContact O-N 3.15Å; L35-S37 PolarHBondContact O-N 2.86Å
36	P	69.7	Low	62.7	Low	53 Å²	53	92.9 Å²	92.9	34%	0.344	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-54.1	135.9	-169.4	12.3	-25.2	0	0	0	110.2	E34 S41	E34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-S41 WeakPolarHBondContact CG-OG 3.47Å; P36-S41 PolarHBondContact O-OG 3.14Å
37	S	82.8	Confident	65	Low	64 Å²	64	98.9 Å²	98.9	45%	0.448	53%	0.528	S	S	.	.			trans	-40.9	144.8	173.7	177.4	0	0	0	0	110.5	L35 E39 S40 S41	L35-S37 PolarHBondContact O-N 2.86Å; S37-E39 PolarHBondContact O-N 3.11Å; S37-S40 CarbonylContact O-C 3.58Å; S37-S40 WeakPolarHBondContact O-CA 3.42Å; S37-S40 WeakPolarHBondContact O-CB 3.44Å; S37-S40 PolarHBondContact O-N 3.2Å; S37-S41 PolarHBondContact O-N 3.24Å; S37-S41 PolarHBondContact O-OG 3.47Å
38	P	82.6	Confident	67.9	Low	44 Å²	44	91.6 Å²	91.6	29%	0.286	49%	0.493	S	S	.	.	H	α-helix	trans	-48.7	-41.5	-178.1	-25.5	32.4	0	0	0	112.3	S41 R42	P38-S41 WeakPolarHBondContact O-CB 3.49Å; P38-S41 PolarHBondContact O-N 2.84Å; P38-R42 VanDerWaalsContact O-CB 3.28Å; P38-R42 WeakPolarHBondContact O-CB 3.41Å; P38-R42 PolarHBondContact O-N 3.2Å
39	E	80.8	Confident	70.8	Confident	36 Å²	36	92.8 Å²	92.8	17%	0.168	49%	0.487	C	S	.	.	H	α-helix	trans	-70.2	-34.4	178.8	-171.6	54.4	-151	0	0	112.7	S37 R42 R43	S37-E39 PolarHBondContact O-N 3.11Å; E39-R42 WeakPolarHBondContact OE2-CD 3.48Å; E39-R42 IonicContact OE2-CZ 3.44Å; E39-R42 IonicContact OE2-NE 2.72Å; E39-R42 IonicContact OE2-NH1 3.41Å; E39-R42 PolarHBondContact OE2-NH1 2.89Å; E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 VanDerWaalsContact O-CD 3.31Å; E39-R43 WeakPolarHBondContact O-CD 3.32Å; E39-R43 WeakPolarHBondContact O-CG 3.3Å; E39-R43 PolarHBondContact O-N 3.5Å; E39-R43 IonicContact OE1-CZ 3.14Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 2.8Å; E39-R43 PolarHBondContact OE1-NH2 3.17Å
40	S	85.3	Confident	73.4	Confident	55 Å²	55	93.1 Å²	93.1	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-67.4	-43.1	170	-60.4	0	0	0	0	111.8	S37 R43 L44	S37-S40 CarbonylContact O-C 3.58Å; S37-S40 WeakPolarHBondContact O-CA 3.42Å; S37-S40 WeakPolarHBondContact O-CB 3.44Å; S37-S40 PolarHBondContact O-N 3.2Å; S40-R43 PolarHBondContact O-N 3.16Å; S40-L44 WeakPolarHBondContact O-CB 3.25Å; S40-L44 WeakPolarHBondContact O-CG 3.47Å; S40-L44 PolarHBondContact O-N 3.45Å
41	S	88.4	Confident	76.3	Confident	1 Å²	1	95.8 Å²	95.8	1%	0.007	47%	0.474	C	S	.	.	H	α-helix	trans	-61.9	-44.7	176.5	-63.5	0	0	0	0	111.4	P36 S37 P38 L44 F45	P36-S41 WeakPolarHBondContact CG-OG 3.47Å; P36-S41 PolarHBondContact O-OG 3.14Å; S37-S41 PolarHBondContact O-N 3.24Å; S37-S41 PolarHBondContact O-OG 3.47Å; P38-S41 WeakPolarHBondContact O-CB 3.49Å; P38-S41 PolarHBondContact O-N 2.84Å; S41-L44 PolarHBondContact O-N 2.95Å; S41-F45 WeakPolarHBondContact O-CB 3.18Å; S41-F45 PolarHBondContact O-N 2.93Å
42	R	87.3	Confident	78.3	Confident	11 Å²	11	94.8 Å²	94.8	4%	0.042	46%	0.459	C	S	.	.	H	α-helix	trans	-56.7	-48.3	172.4	-176.3	-166.8	-169.9	163.6	8.7	112.3	P38 E39 F45 R46 W70 E88	P38-R42 VanDerWaalsContact O-CB 3.28Å; P38-R42 WeakPolarHBondContact O-CB 3.41Å; P38-R42 PolarHBondContact O-N 3.2Å; E39-R42 WeakPolarHBondContact OE2-CD 3.48Å; E39-R42 IonicContact OE2-CZ 3.44Å; E39-R42 IonicContact OE2-NE 2.72Å; E39-R42 IonicContact OE2-NH1 3.41Å; E39-R42 PolarHBondContact OE2-NH1 2.89Å; R42-F45 PolarHBondContact O-N 3.39Å; R42-R46 PolarHBondContact O-N 2.92Å; R42-R46 VanDerWaalsContact O-N 3.09Å; R42-W70 HydrophobicContact CB-CB 4.29Å; R42-W70 HydrophobicContact CB-CD2 4.07Å; R42-W70 HydrophobicContact CB-CG 3.75Å; R42-W70 HydrophobicContact CG-CD2 4.08Å; R42-W70 HydrophobicContact CG-CG 4.24Å; R42-W70 HydrophobicContact CG-CZ2 4.35Å; R42-E88 VanDerWaalsContact CG-OE1 3.22Å; R42-E88 WeakPolarHBondContact CG-OE1 3.48Å; R42-E88 IonicContact CZ-OE2 3.29Å; R42-E88 VanDerWaalsContact CZ-OE2 3.31Å; R42-E88 IonicContact NE-OE1 2.74Å; R42-E88 PolarHBondContact NE-OE1 3.04Å; R42-E88 IonicContact NE-OE2 3.03Å; R42-E88 PolarHBondContact NE-OE2 3.24Å; R42-E88 IonicContact NH2-OE2 3.96Å; R42-E88 PolarHBondContact NH2-OE2 3.17Å
43	R	84.8	Confident	80.8	Confident	94 Å²	94	86.7 Å²	86.7	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-65.3	-38.2	178.9	-74.9	165.3	-171.2	-168.7	-0.4	112.6	E39 S40 R47 E106	E39-R43 WeakPolarHBondContact O-CB 3.4Å; E39-R43 VanDerWaalsContact O-CD 3.31Å; E39-R43 WeakPolarHBondContact O-CD 3.32Å; E39-R43 WeakPolarHBondContact O-CG 3.3Å; E39-R43 PolarHBondContact O-N 3.5Å; E39-R43 IonicContact OE1-CZ 3.14Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 2.8Å; E39-R43 PolarHBondContact OE1-NH2 3.17Å; S40-R43 PolarHBondContact O-N 3.16Å; R43-R47 WeakPolarHBondContact O-CB 3.45Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.41Å; R43-R47 PolarHBondContact O-N 3.47Å; R43-E106 IonicContact CZ-OE1 2.71Å; R43-E106 IonicContact NH1-OE1 3.42Å; R43-E106 PolarHBondContact NH1-OE1 3.02Å; R43-E106 VanDerWaalsContact NH2-CD 3.31Å; R43-E106 IonicContact NH2-OE1 2.72Å; R43-E106 PolarHBondContact NH2-OE1 3.03Å
44	L	89.5	Confident	83.3	Confident	90 Å²	90	88.2 Å²	88.2	47%	0.471	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-46.7	174.5	-72.5	170	0	0	0	111.3	S40 S41 R46 R47 F48 L66	S40-L44 WeakPolarHBondContact O-CB 3.25Å; S40-L44 WeakPolarHBondContact O-CG 3.47Å; S40-L44 PolarHBondContact O-N 3.45Å; S41-L44 PolarHBondContact O-N 2.95Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.21Å; L44-R47 CarbonylContact O-C 3.33Å; L44-R47 PolarHBondContact O-N 3Å; L44-F48 WeakPolarHBondContact O-CB 3.43Å; L44-F48 PolarHBondContact O-N 3.31Å; L44-L66 HydrophobicContact CB-CD1 4.04Å; L44-L66 HydrophobicContact CB-CD2 3.71Å; L44-L66 HydrophobicContact CD1-CD2 4.02Å
45	F	90.4	Very high	85.6	Confident	70 Å²	70	80.2 Å²	80.2	31%	0.307	40%	0.397	S	S	.	.	H	α-helix	trans	-53.9	-44.8	176.8	-176.9	-100.7	0	0	0	112.2	S41 R42 R47 L63 L66 C67 W70	S41-F45 WeakPolarHBondContact O-CB 3.18Å; S41-F45 PolarHBondContact O-N 2.93Å; R42-F45 PolarHBondContact O-N 3.39Å; F45-R47 PolarHBondContact O-N 3.26Å; F45-L63 HydrophobicContact CD2-CD2 3.78Å; F45-L63 WeakPolarHBondContact CD2-O 3.42Å; F45-L63 HydrophobicContact CE2-CB 4.18Å; F45-L63 HydrophobicContact CE2-CD2 3.77Å; F45-L63 WeakPolarHBondContact CE2-O 3.43Å; F45-L66 HydrophobicContact CB-CB 4.11Å; F45-L66 HydrophobicContact CD2-CB 4.19Å; F45-C67 HydrophobicContact CD2-CB 4.02Å; F45-C67 HydrophobicContact CE2-CB 3.76Å; F45-C67 HydrophobicContact CZ-CB 4.4Å; F45-W70 HydrophobicContact CD1-CE3 4.43Å; F45-W70 HydrophobicContact CD1-CZ3 4.33Å; F45-W70 HydrophobicContact CE1-CZ3 4.47Å
46	R	83.9	Confident	87.2	Confident	103 Å²	103	77.7 Å²	77.7	39%	0.389	39%	0.389	S	S	.	.	H	α-helix	trans	-71.4	-20.6	176.1	-90.5	-179.7	152.6	164.2	1.3	115.6	R42 L44 E88	R42-R46 PolarHBondContact O-N 2.92Å; R42-R46 VanDerWaalsContact O-N 3.09Å; L44-R46 VanDerWaalsContact C-N 3.3Å; L44-R46 PolarHBondContact O-N 3.21Å; R46-E88 WeakPolarHBondContact CD-OE1 3.26Å; R46-E88 IonicContact CZ-OE1 3.65Å; R46-E88 IonicContact CZ-OE2 3.96Å; R46-E88 VanDerWaalsContact CZ-OE2 3.25Å; R46-E88 IonicContact NE-OE1 3.02Å; R46-E88 PolarHBondContact NE-OE1 3.39Å; R46-E88 IonicContact NH1-OE1 3.31Å; R46-E88 PolarHBondContact NH1-OE1 2.76Å; R46-E88 IonicContact NH1-OE2 3.22Å; R46-E88 PolarHBondContact NH1-OE2 3.15Å; R46-E88 PolarHBondContact NH2-O 2.86Å; R46-E88 IonicContact NH2-OE1 2.77Å; R46-E88 IonicContact NH2-OE2 3.34Å; R46-E88 PolarHBondContact NH2-OE2 2.9Å
47	R	89	Confident	88.3	Confident	194 Å²	194	85.8 Å²	85.8	73%	0.732	41%	0.413	S	S	*	.	H	α-helix	trans	-105.2	-13.2	-177.1	-72.9	179.7	174	-177.4	0.1	113.7	R43 L44 F45 R49	R43-R47 WeakPolarHBondContact O-CB 3.45Å; R43-R47 VanDerWaalsContact O-CG 3.3Å; R43-R47 WeakPolarHBondContact O-CG 3.41Å; R43-R47 PolarHBondContact O-N 3.47Å; L44-R47 CarbonylContact O-C 3.33Å; L44-R47 PolarHBondContact O-N 3Å; F45-R47 PolarHBondContact O-N 3.26Å; R47-R49 WeakPolarHBondContact O-CG 3.32Å; R47-R49 PolarHBondContact O-N 2.86Å
48	F	91.7	Very high	88.9	Confident	37 Å²	37	86.1 Å²	86.1	16%	0.162	41%	0.407	C	S	.	.			trans	-50.3	127.5	-177	-179.8	-97.2	0	0	0	111.8	L44 E52 A53 A59 R62 L63 L66	L44-F48 WeakPolarHBondContact O-CB 3.43Å; L44-F48 PolarHBondContact O-N 3.31Å; F48-E52 HydrophobicContact CE2-CB 4.36Å; F48-A53 HydrophobicContact CZ-CB 4.22Å; F48-A59 HydrophobicContact CE1-CB 4.09Å; F48-A59 HydrophobicContact CZ-CB 4.13Å; F48-R62 HydrophobicContact CE2-CB 4.11Å; F48-R62 HydrophobicContact CZ-CB 4.45Å; F48-L63 HydrophobicContact CB-CD2 3.97Å; F48-L63 HydrophobicContact CD1-CD1 4.01Å; F48-L63 HydrophobicContact CD1-CD2 3.59Å; F48-L63 HydrophobicContact CD1-CG 3.69Å; F48-L63 HydrophobicContact CE1-CD1 4.07Å; F48-L63 HydrophobicContact CE1-CD2 4.32Å; F48-L63 HydrophobicContact CE1-CG 3.9Å; F48-L63 HydrophobicContact CG-CD2 3.87Å; F48-L63 HydrophobicContact CG-CG 4.26Å; F48-L66 HydrophobicContact CD2-CD1 4.43Å
49	R	91.4	Very high	89.4	Confident	166 Å²	166	84.2 Å²	84.2	63%	0.626	40%	0.395	S	S	*	.			trans	-110.7	138.8	178.7	-56	-177.2	171.1	-168	-4	109.9	R47 Q51 E52	R47-R49 WeakPolarHBondContact O-CG 3.32Å; R47-R49 PolarHBondContact O-N 2.86Å; R49-Q51 PolarHBondContact O-N 2.96Å; R49-Q51 VanDerWaalsContact O-N 3.07Å; R49-E52 HydrophobicContact CB-CG 4.18Å; R49-E52 VanDerWaalsContact CB-OE1 3.3Å; R49-E52 WeakPolarHBondContact CB-OE1 3.25Å; R49-E52 VanDerWaalsContact CG-OE1 3.32Å; R49-E52 WeakPolarHBondContact CG-OE1 3.46Å; R49-E52 PolarHBondContact N-OE1 3.29Å; R49-E52 PolarHBondContact N-OE2 2.84Å; R49-E52 VanDerWaalsContact N-OE2 3.09Å; R49-E52 VanDerWaalsContact O-CB 3.28Å; R49-E52 WeakPolarHBondContact O-CB 3.42Å; R49-E52 PolarHBondContact O-N 3.28Å
50	Y	90.7	Very high	90	Very high	130 Å²	130	88.4 Å²	88.4	51%	0.51	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-56.4	-30.3	178.4	-173.7	-92.7	0	0	0	112.8	E52 A53 P56 A59	Y50-E52 PolarHBondContact O-N 2.85Å; Y50-A53 PolarHBondContact O-N 2.92Å; Y50-P56 HydrophobicContact CE2-CB 4.34Å; Y50-P56 WeakPolarHBondContact OH-CD 3.44Å; Y50-A59 HydrophobicContact CD2-CB 3.98Å; Y50-A59 HydrophobicContact CE2-CB 3.98Å
51	Q	91.6	Very high	90.4	Very high	163 Å²	163	90.4 Å²	90.4	76%	0.762	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-64.6	-12.7	175.3	-62.5	81.8	1.1	0	0	114.4	R49 A53	R49-Q51 PolarHBondContact O-N 2.96Å; R49-Q51 VanDerWaalsContact O-N 3.07Å; Q51-A53 VanDerWaalsContact C-N 3.34Å
52	E	86.5	Confident	90.6	Very high	97 Å²	97	94.7 Å²	94.7	45%	0.453	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-83	-12.3	177.9	-65.7	156.1	-163.9	0	0	112.4	F48 R49 Y50 R62	F48-E52 HydrophobicContact CE2-CB 4.36Å; R49-E52 HydrophobicContact CB-CG 4.18Å; R49-E52 VanDerWaalsContact CB-OE1 3.3Å; R49-E52 WeakPolarHBondContact CB-OE1 3.25Å; R49-E52 VanDerWaalsContact CG-OE1 3.32Å; R49-E52 WeakPolarHBondContact CG-OE1 3.46Å; R49-E52 PolarHBondContact N-OE1 3.29Å; R49-E52 PolarHBondContact N-OE2 2.84Å; R49-E52 VanDerWaalsContact N-OE2 3.09Å; R49-E52 VanDerWaalsContact O-CB 3.28Å; R49-E52 WeakPolarHBondContact O-CB 3.42Å; R49-E52 PolarHBondContact O-N 3.28Å; Y50-E52 PolarHBondContact O-N 2.85Å; E52-R62 PolarHBondContact O-NH1 3.46Å
53	A	91.1	Very high	90.9	Very high	15 Å²	15	96.8 Å²	96.8	12%	0.124	45%	0.449	C	S	.	.	S	Bend	trans	-110.9	148.3	178.7	0	0	0	0	0	112.3	F48 Y50 Q51 G55 E58 A59	F48-A53 HydrophobicContact CZ-CB 4.22Å; Y50-A53 PolarHBondContact O-N 2.92Å; Q51-A53 VanDerWaalsContact C-N 3.34Å; A53-G55 PolarHBondContact O-N 3.5Å; A53-E58 HydrophobicContact CB-CB 4.31Å; A53-E58 HydrophobicContact CB-CG 4.26Å; A53-A59 HydrophobicContact CB-CB 3.88Å
54	A	89.6	Confident	91.3	Very high	102 Å²	102	99 Å²	99	84%	0.843	46%	0.457	S	S	*	.	S	Bend	trans	-76.9	-7.3	177	0	0	0	0	0	113.6	E58	A54-E58 WeakPolarHBondContact CB-OE2 3.44Å; A54-E58 PolarHBondContact N-OE2 2.93Å
55	G	92.9	Very high	91.4	Very high	17 Å²	17	98.3 Å²	98.3	18%	0.175	46%	0.455	C	S	.	.	S	Bend	trans	177.3	175	176.1	0	0	0	0	0	114.1	A53 R57 E58 A59	A53-G55 PolarHBondContact O-N 3.5Å; G55-R57 VanDerWaalsContact C-N 3.34Å; G55-R57 PolarHBondContact O-N 3.43Å; G55-E58 PolarHBondContact O-N 3.43Å; G55-A59 PolarHBondContact O-N 2.8Å
56	P	91.9	Very high	91.6	Very high	89 Å²	89	96.4 Å²	96.4	58%	0.578	45%	0.447	S	S	*	.	H	α-helix	trans	-68.7	-30.4	-169.1	26.6	-34.1	0	0	0	113.5	Y50 L60	Y50-P56 HydrophobicContact CE2-CB 4.34Å; Y50-P56 WeakPolarHBondContact OH-CD 3.44Å; P56-L60 WeakPolarHBondContact O-CB 3.41Å; P56-L60 PolarHBondContact O-N 2.85Å
57	R	93.1	Very high	91.9	Very high	223 Å²	223	93.2 Å²	93.2	84%	0.842	44%	0.441	S	S	*	.	H	α-helix	trans	-66.7	-41.3	175.1	-63.3	-175.5	-173.2	-88.5	1.5	111.7	G55 Q61	G55-R57 VanDerWaalsContact C-N 3.34Å; G55-R57 PolarHBondContact O-N 3.43Å; R57-Q61 WeakPolarHBondContact O-CB 3.38Å; R57-Q61 PolarHBondContact O-N 3.33Å
58	E	93.8	Very high	92	Very high	71 Å²	71	89.2 Å²	89.2	33%	0.332	43%	0.425	S	S	.	.	H	α-helix	trans	-71.7	-38.7	176.5	-175.6	-179.9	-145.3	0	0	111.5	A53 A54 G55 L60 Q61 R62	A53-E58 HydrophobicContact CB-CB 4.31Å; A53-E58 HydrophobicContact CB-CG 4.26Å; A54-E58 WeakPolarHBondContact CB-OE2 3.44Å; A54-E58 PolarHBondContact N-OE2 2.93Å; G55-E58 PolarHBondContact O-N 3.43Å; E58-L60 PolarHBondContact O-N 3.38Å; E58-Q61 PolarHBondContact O-N 2.98Å; E58-R62 VanDerWaalsContact CD-NH2 3.26Å; E58-R62 HydrophobicContact CG-CG 4.28Å; E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.08Å; E58-R62 IonicContact OE1-CZ 3.1Å; E58-R62 VanDerWaalsContact OE1-CZ 3.32Å; E58-R62 IonicContact OE1-NE 2.7Å; E58-R62 PolarHBondContact OE1-NE 2.91Å; E58-R62 IonicContact OE1-NH2 2.78Å; E58-R62 PolarHBondContact OE1-NH2 3.24Å; E58-R62 IonicContact OE2-NH2 3.17Å
59	A	93.4	Very high	91.9	Very high	5 Å²	5	88 Å²	88	4%	0.041	42%	0.423	C	S	.	.	H	α-helix	trans	-58.9	-46.6	174	0	0	0	0	0	111.8	F48 Y50 A53 G55 L63	F48-A59 HydrophobicContact CE1-CB 4.09Å; F48-A59 HydrophobicContact CZ-CB 4.13Å; Y50-A59 HydrophobicContact CD2-CB 3.98Å; Y50-A59 HydrophobicContact CE2-CB 3.98Å; A53-A59 HydrophobicContact CB-CB 3.88Å; G55-A59 PolarHBondContact O-N 2.8Å; A59-L63 WeakPolarHBondContact O-CB 3.31Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.31Å; A59-L63 PolarHBondContact O-N 3.41Å
60	L	93.8	Very high	91.8	Very high	124 Å²	124	80.8 Å²	80.8	65%	0.649	40%	0.396	S	S	*	.	H	α-helix	trans	-63.1	-45.1	175.8	-178.4	62.2	0	0	0	112	P56 E58 L63 W64	P56-L60 WeakPolarHBondContact O-CB 3.41Å; P56-L60 PolarHBondContact O-N 2.85Å; E58-L60 PolarHBondContact O-N 3.38Å; L60-L63 PolarHBondContact O-N 3.32Å; L60-W64 WeakPolarHBondContact O-CB 3.44Å; L60-W64 PolarHBondContact O-N 3.23Å
61	Q	94.2	Very high	91.7	Very high	96 Å²	96	75.6 Å²	75.6	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-49.8	178.7	-176.4	58.3	51	0	0	111.5	R57 E58 L63 W64 D65	R57-Q61 WeakPolarHBondContact O-CB 3.38Å; R57-Q61 PolarHBondContact O-N 3.33Å; E58-Q61 PolarHBondContact O-N 2.98Å; Q61-L63 PolarHBondContact O-N 3.35Å; Q61-W64 WeakPolarHBondContact O-CB 3.44Å; Q61-W64 PolarHBondContact O-N 3.33Å; Q61-W64 VanDerWaalsContact O-N 3.1Å; Q61-D65 WeakPolarHBondContact CG-OD2 3.37Å; Q61-D65 VanDerWaalsContact NE2-CG 3.26Å; Q61-D65 PolarHBondContact NE2-OD1 3.22Å; Q61-D65 PolarHBondContact NE2-OD2 2.94Å; Q61-D65 VanDerWaalsContact O-CG 3.31Å; Q61-D65 PolarHBondContact O-N 3.21Å; Q61-D65 VanDerWaalsContact O-OD2 3.1Å
62	R	92.3	Very high	91.5	Very high	92 Å²	92	70.6 Å²	70.6	35%	0.347	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-38.6	178.9	-69.5	-178	-175.1	-179	7	112.6	F48 E52 E58 W64 D65 L66	F48-R62 HydrophobicContact CE2-CB 4.11Å; F48-R62 HydrophobicContact CZ-CB 4.45Å; E52-R62 PolarHBondContact O-NH1 3.46Å; E58-R62 VanDerWaalsContact CD-NH2 3.26Å; E58-R62 HydrophobicContact CG-CG 4.28Å; E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.08Å; E58-R62 IonicContact OE1-CZ 3.1Å; E58-R62 VanDerWaalsContact OE1-CZ 3.32Å; E58-R62 IonicContact OE1-NE 2.7Å; E58-R62 PolarHBondContact OE1-NE 2.91Å; E58-R62 IonicContact OE1-NH2 2.78Å; E58-R62 PolarHBondContact OE1-NH2 3.24Å; E58-R62 IonicContact OE2-NH2 3.17Å; R62-W64 VanDerWaalsContact C-N 3.32Å; R62-D65 PolarHBondContact O-N 3.37Å; R62-L66 WeakPolarHBondContact O-CB 3.28Å; R62-L66 VanDerWaalsContact O-CG 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.01Å
63	L	92.9	Very high	91.5	Very high	54 Å²	54	69.2 Å²	69.2	28%	0.283	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-39.5	172.7	-78.3	169.3	0	0	0	111.7	F45 F48 A59 L60 Q61 C67	F45-L63 HydrophobicContact CD2-CD2 3.78Å; F45-L63 WeakPolarHBondContact CD2-O 3.42Å; F45-L63 HydrophobicContact CE2-CB 4.18Å; F45-L63 HydrophobicContact CE2-CD2 3.77Å; F45-L63 WeakPolarHBondContact CE2-O 3.43Å; F48-L63 HydrophobicContact CB-CD2 3.97Å; F48-L63 HydrophobicContact CD1-CD1 4.01Å; F48-L63 HydrophobicContact CD1-CD2 3.59Å; F48-L63 HydrophobicContact CD1-CG 3.69Å; F48-L63 HydrophobicContact CE1-CD1 4.07Å; F48-L63 HydrophobicContact CE1-CD2 4.32Å; F48-L63 HydrophobicContact CE1-CG 3.9Å; F48-L63 HydrophobicContact CG-CD2 3.87Å; F48-L63 HydrophobicContact CG-CG 4.26Å; A59-L63 WeakPolarHBondContact O-CB 3.31Å; A59-L63 VanDerWaalsContact O-CG 3.32Å; A59-L63 WeakPolarHBondContact O-CG 3.31Å; A59-L63 PolarHBondContact O-N 3.41Å; L60-L63 PolarHBondContact O-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.35Å; L63-C67 WeakPolarHBondContact O-CB 3.49Å; L63-C67 PolarHBondContact O-N 2.58Å
64	W	93.1	Very high	91.4	Very high	140 Å²	140	73.9 Å²	73.9	53%	0.53	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-45.2	176.1	-170.3	85.4	0	0	0	112.2	L60 Q61 R62 L66 C67 R68	L60-W64 WeakPolarHBondContact O-CB 3.44Å; L60-W64 PolarHBondContact O-N 3.23Å; Q61-W64 WeakPolarHBondContact O-CB 3.44Å; Q61-W64 PolarHBondContact O-N 3.33Å; Q61-W64 VanDerWaalsContact O-N 3.1Å; R62-W64 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 2.97Å; W64-C67 PolarHBondContact O-N 2.86Å; W64-R68 VanDerWaalsContact CH2-NH1 3.26Å; W64-R68 VanDerWaalsContact O-CB 3.27Å; W64-R68 WeakPolarHBondContact O-CB 3.47Å; W64-R68 PolarHBondContact O-N 3.29Å
65	D	92.6	Very high	91.2	Very high	77 Å²	77	78.1 Å²	78.1	41%	0.412	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-41.3	177.2	-66.2	-39.8	0	0	0	111.9	Q61 R62 R68 G69	Q61-D65 WeakPolarHBondContact CG-OD2 3.37Å; Q61-D65 VanDerWaalsContact NE2-CG 3.26Å; Q61-D65 PolarHBondContact NE2-OD1 3.22Å; Q61-D65 PolarHBondContact NE2-OD2 2.94Å; Q61-D65 VanDerWaalsContact O-CG 3.31Å; Q61-D65 PolarHBondContact O-N 3.21Å; Q61-D65 VanDerWaalsContact O-OD2 3.1Å; R62-D65 PolarHBondContact O-N 3.37Å; D65-R68 PolarHBondContact O-N 3.38Å; D65-G69 PolarHBondContact O-N 3.13Å
66	L	93.3	Very high	91	Very high	29 Å²	29	80.4 Å²	80.4	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-42	174.7	-72.2	172	0	0	0	112.5	L44 F45 F48 R62 W64 R68 G69 W70	L44-L66 HydrophobicContact CB-CD1 4.04Å; L44-L66 HydrophobicContact CB-CD2 3.71Å; L44-L66 HydrophobicContact CD1-CD2 4.02Å; F45-L66 HydrophobicContact CB-CB 4.11Å; F45-L66 HydrophobicContact CD2-CB 4.19Å; F48-L66 HydrophobicContact CD2-CD1 4.43Å; R62-L66 WeakPolarHBondContact O-CB 3.28Å; R62-L66 VanDerWaalsContact O-CG 3.23Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.01Å; W64-L66 PolarHBondContact O-N 2.97Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-G69 PolarHBondContact O-N 2.99Å; L66-W70 WeakPolarHBondContact O-CB 3.36Å; L66-W70 PolarHBondContact O-N 3.32Å
67	C	91	Very high	91	Very high	37 Å²	37	79.3 Å²	79.3	25%	0.25	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-43.4	175.3	-174.2	0	0	0	0	111.2	F45 L63 W64 W70 L71	F45-C67 HydrophobicContact CD2-CB 4.02Å; F45-C67 HydrophobicContact CE2-CB 3.76Å; F45-C67 HydrophobicContact CZ-CB 4.4Å; L63-C67 WeakPolarHBondContact O-CB 3.49Å; L63-C67 PolarHBondContact O-N 2.58Å; W64-C67 PolarHBondContact O-N 2.86Å; C67-W70 PolarHBondContact O-N 3.02Å; C67-L71 WeakPolarHBondContact O-CB 3.4Å; C67-L71 PolarHBondContact O-N 2.82Å
68	R	91.1	Very high	90.9	Very high	109 Å²	109	76.6 Å²	76.6	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-39.8	176.1	-168.6	176.4	-177.2	-172.5	0.8	112.3	W64 D65 L66 W70 R72 P73 E74	W64-R68 VanDerWaalsContact CH2-NH1 3.26Å; W64-R68 VanDerWaalsContact O-CB 3.27Å; W64-R68 WeakPolarHBondContact O-CB 3.47Å; W64-R68 PolarHBondContact O-N 3.29Å; D65-R68 PolarHBondContact O-N 3.38Å; L66-R68 VanDerWaalsContact C-N 3.34Å; R68-W70 VanDerWaalsContact C-N 3.31Å; R68-W70 PolarHBondContact O-N 3.21Å; R68-R72 VanDerWaalsContact O-CA 3.32Å; R68-R72 WeakPolarHBondContact O-CA 3.48Å; R68-R72 PolarHBondContact O-N 3.47Å; R68-P73 HydrophobicContact CG-CG 4.28Å; R68-E74 IonicContact CZ-OE1 3.63Å; R68-E74 IonicContact NE-OE1 2.67Å; R68-E74 PolarHBondContact NE-OE1 2.81Å; R68-E74 IonicContact NH2-OE1 3.32Å; R68-E74 PolarHBondContact NH2-OE1 3.13Å
69	G	89.2	Confident	90.7	Very high	12 Å²	12	78.6 Å²	78.6	12%	0.124	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-32.6	175	0	0	0	0	0	113.9	D65 L66 R72	D65-G69 PolarHBondContact O-N 3.13Å; L66-G69 PolarHBondContact O-N 2.99Å; G69-R72 WeakPolarHBondContact O-CG 3.18Å; G69-R72 PolarHBondContact O-NE 3.41Å
70	W	89.7	Confident	90.5	Very high	15 Å²	15	82.1 Å²	82.1	6%	0.057	38%	0.381	C	S	.	.	H	α-helix	trans	-76	-63.1	172.6	168	32.5	0	0	0	112.1	R42 F45 L66 C67 R68 R72 L85 E88	R42-W70 HydrophobicContact CB-CB 4.29Å; R42-W70 HydrophobicContact CB-CD2 4.07Å; R42-W70 HydrophobicContact CB-CG 3.75Å; R42-W70 HydrophobicContact CG-CD2 4.08Å; R42-W70 HydrophobicContact CG-CG 4.24Å; R42-W70 HydrophobicContact CG-CZ2 4.35Å; F45-W70 HydrophobicContact CD1-CE3 4.43Å; F45-W70 HydrophobicContact CD1-CZ3 4.33Å; F45-W70 HydrophobicContact CE1-CZ3 4.47Å; L66-W70 WeakPolarHBondContact O-CB 3.36Å; L66-W70 PolarHBondContact O-N 3.32Å; C67-W70 PolarHBondContact O-N 3.02Å; R68-W70 VanDerWaalsContact C-N 3.31Å; R68-W70 PolarHBondContact O-N 3.21Å; W70-R72 PolarHBondContact O-N 3.32Å; W70-L85 HydrophobicContact CH2-CD2 3.82Å; W70-L85 HydrophobicContact CZ3-CD2 4.34Å; W70-E88 HydrophobicContact CH2-CB 4.03Å; W70-E88 HydrophobicContact CH2-CG 3.73Å; W70-E88 HydrophobicContact CZ2-CB 3.86Å; W70-E88 HydrophobicContact CZ2-CG 3.84Å
71	L	88.4	Confident	90.3	Very high	20 Å²	20	77.9 Å²	77.9	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-76.5	-19.4	-170.4	-63.2	178.4	0	0	0	113.8	C67 H76 I81 L84 L85	C67-L71 WeakPolarHBondContact O-CB 3.4Å; C67-L71 PolarHBondContact O-N 2.82Å; L71-H76 PolarHBondContact O-ND1 3.24Å; L71-I81 HydrophobicContact CD1-CG2 4.25Å; L71-L84 HydrophobicContact CD2-CB 4.14Å; L71-L84 HydrophobicContact CD2-CD1 4.44Å; L71-L85 HydrophobicContact CD1-CD2 4.34Å; L71-L85 HydrophobicContact CD2-CD2 4.27Å; L71-L85 HydrophobicContact CD2-CG 4.4Å
72	R	87.8	Confident	90.2	Very high	59 Å²	59	78.4 Å²	78.4	22%	0.223	36%	0.364	C	S	.	.			trans	41.9	62.4	175.8	-63	-176.8	171.5	-173.7	-6.1	113.6	R68 G69 W70 E74 R75 H76	R68-R72 VanDerWaalsContact O-CA 3.32Å; R68-R72 WeakPolarHBondContact O-CA 3.48Å; R68-R72 PolarHBondContact O-N 3.47Å; G69-R72 WeakPolarHBondContact O-CG 3.18Å; G69-R72 PolarHBondContact O-NE 3.41Å; W70-R72 PolarHBondContact O-N 3.32Å; R72-E74 PolarHBondContact O-N 3.12Å; R72-R75 HydrophobicContact CB-CB 4.39Å; R72-R75 PolarHBondContact O-N 3.03Å; R72-H76 PolarHBondContact O-N 3.11Å; R72-H76 VanDerWaalsContact O-N 3.16Å
73	P	86.9	Confident	90.1	Very high	68 Å²	68	79.8 Å²	79.8	44%	0.442	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.2	-177.3	28.5	-36.4	0	0	0	114.4	R68 R75 I81	R68-P73 HydrophobicContact CG-CG 4.28Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-I81 HydrophobicContact CB-CD1 4.05Å
74	E	88.6	Confident	90	Very high	112 Å²	112	78.6 Å²	78.6	52%	0.523	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.5	170.1	-54.7	73.9	-163.2	0	0	113.4	R68 R72	R68-E74 IonicContact CZ-OE1 3.63Å; R68-E74 IonicContact NE-OE1 2.67Å; R68-E74 PolarHBondContact NE-OE1 2.81Å; R68-E74 IonicContact NH2-OE1 3.32Å; R68-E74 PolarHBondContact NH2-OE1 3.13Å; R72-E74 PolarHBondContact O-N 3.12Å
75	R	84.8	Confident	89.8	Confident	191 Å²	191	75.5 Å²	75.5	72%	0.721	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-25.3	-174.1	-60.6	-169.1	-176.5	-160.2	0.6	114.2	R72 P73	R72-R75 HydrophobicContact CB-CB 4.39Å; R72-R75 PolarHBondContact O-N 3.03Å; P73-R75 VanDerWaalsContact C-N 3.31Å
76	H	89.1	Confident	89.8	Confident	65 Å²	65	76.6 Å²	76.6	30%	0.301	37%	0.371	S	S	.	.	S	Bend	trans	-106.5	144.9	-178.6	-59.8	129.8	0	0	0	111.8	L71 R72 Q80 I81	L71-H76 PolarHBondContact O-ND1 3.24Å; R72-H76 PolarHBondContact O-N 3.11Å; R72-H76 VanDerWaalsContact O-N 3.16Å; H76-Q80 HydrophobicContact CB-CB 3.94Å; H76-I81 HydrophobicContact CB-CD1 4.48Å; H76-I81 HydrophobicContact CB-CG1 3.84Å
77	T	92.9	Very high	89.7	Confident	66 Å²	66	75.3 Å²	75.3	41%	0.405	36%	0.364	S	S	.	.			trans	-72.8	170.9	169.8	79.2	0	0	0	0	111.1	E79 Q80 I81	T77-E79 WeakPolarHBondContact CB-OE2 3.43Å; T77-E79 PolarHBondContact O-N 3.2Å; T77-E79 PolarHBondContact OG1-N 3Å; T77-E79 PolarHBondContact OG1-OE2 3.44Å; T77-Q80 PolarHBondContact O-N 3.09Å; T77-Q80 PolarHBondContact OG1-N 3.34Å; T77-I81 VanDerWaalsContact O-CG1 3.28Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.09Å
78	K	91.1	Very high	89.6	Confident	166 Å²	166	74.1 Å²	74.1	72%	0.722	36%	0.355	S	S	*	.	H	α-helix	trans	-60.5	-36.9	178.1	-67.9	179.6	179.2	178	0	111.7	I81 L82	K78-I81 PolarHBondContact O-N 2.82Å; K78-L82 VanDerWaalsContact O-CG 3.31Å; K78-L82 WeakPolarHBondContact O-CG 3.27Å; K78-L82 PolarHBondContact O-N 3.19Å
79	E	89.4	Confident	89.7	Confident	113 Å²	113	74.5 Å²	74.5	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-66.5	-46.9	-179.7	-55.6	67.4	-141.5	0	0	109.8	T77 I81 L82 E83	T77-E79 WeakPolarHBondContact CB-OE2 3.43Å; T77-E79 PolarHBondContact O-N 3.2Å; T77-E79 PolarHBondContact OG1-N 3Å; T77-E79 PolarHBondContact OG1-OE2 3.44Å; E79-I81 PolarHBondContact O-N 3.18Å; E79-L82 CarbonylContact O-C 3.59Å; E79-L82 WeakPolarHBondContact O-CB 3.44Å; E79-L82 PolarHBondContact O-N 2.89Å; E79-L82 VanDerWaalsContact O-N 3.13Å; E79-E83 WeakPolarHBondContact O-CG 3.33Å; E79-E83 PolarHBondContact O-N 2.96Å
80	Q	87.7	Confident	89.8	Confident	80 Å²	80	76.5 Å²	76.5	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-36.1	175.5	-68.5	171.8	-23.3	0	0	112.6	H76 T77 L82 E83 L84	H76-Q80 HydrophobicContact CB-CB 3.94Å; T77-Q80 PolarHBondContact O-N 3.09Å; T77-Q80 PolarHBondContact OG1-N 3.34Å; Q80-L82 VanDerWaalsContact C-N 3.34Å; Q80-E83 PolarHBondContact O-N 3.45Å; Q80-L84 WeakPolarHBondContact O-CG 3.42Å; Q80-L84 PolarHBondContact O-N 3.35Å
81	I	91.1	Very high	89.8	Confident	34 Å²	34	76 Å²	76	17%	0.174	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-40.3	172.9	-66.4	163.5	0	0	0	110.5	L71 P73 H76 T77 K78 E79 L84 L85	L71-I81 HydrophobicContact CD1-CG2 4.25Å; P73-I81 HydrophobicContact CB-CD1 4.05Å; H76-I81 HydrophobicContact CB-CD1 4.48Å; H76-I81 HydrophobicContact CB-CG1 3.84Å; T77-I81 VanDerWaalsContact O-CG1 3.28Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 3.09Å; K78-I81 PolarHBondContact O-N 2.82Å; E79-I81 PolarHBondContact O-N 3.18Å; I81-L84 PolarHBondContact O-N 2.8Å; I81-L85 HydrophobicContact CG2-CD1 4.19Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.1Å; I81-L85 VanDerWaalsContact O-N 3.09Å
82	L	91.6	Very high	89.7	Confident	107 Å²	107	76.9 Å²	76.9	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-65.1	-40.5	174.1	-71.3	168.2	0	0	0	111.6	K78 E79 Q80 L84 L85 V86	K78-L82 VanDerWaalsContact O-CG 3.31Å; K78-L82 WeakPolarHBondContact O-CG 3.27Å; K78-L82 PolarHBondContact O-N 3.19Å; E79-L82 CarbonylContact O-C 3.59Å; E79-L82 WeakPolarHBondContact O-CB 3.44Å; E79-L82 PolarHBondContact O-N 2.89Å; E79-L82 VanDerWaalsContact O-N 3.13Å; Q80-L82 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 2.64Å; L82-L85 PolarHBondContact O-N 2.82Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 VanDerWaalsContact O-CG2 3.29Å; L82-V86 WeakPolarHBondContact O-CG2 3.49Å; L82-V86 PolarHBondContact O-N 3.16Å
83	E	90.6	Very high	89.8	Confident	121 Å²	121	79.7 Å²	79.7	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-59.8	-44.5	174.2	-73.8	172	178.5	0	0	112.1	E79 Q80 L85 V86 L87	E79-E83 WeakPolarHBondContact O-CG 3.33Å; E79-E83 PolarHBondContact O-N 2.96Å; Q80-E83 PolarHBondContact O-N 3.45Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.15Å; E83-V86 PolarHBondContact O-N 3.21Å; E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 PolarHBondContact O-N 3.48Å
84	L	89.4	Confident	89.8	Confident	29 Å²	29	77.4 Å²	77.4	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-36.8	175.2	-71.3	171.9	0	0	0	112.5	L71 Q80 I81 L82 E88	L71-L84 HydrophobicContact CD2-CB 4.14Å; L71-L84 HydrophobicContact CD2-CD1 4.44Å; Q80-L84 WeakPolarHBondContact O-CG 3.42Å; Q80-L84 PolarHBondContact O-N 3.35Å; I81-L84 PolarHBondContact O-N 2.8Å; L82-L84 PolarHBondContact O-N 2.64Å; L84-E88 VanDerWaalsContact O-CB 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.92Å
85	L	90.8	Very high	89.7	Confident	75 Å²	75	74.6 Å²	74.6	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-72.8	-40.5	175.8	-69	169.7	0	0	0	112.3	W70 L71 I81 L82 E83 E88 Q89	W70-L85 HydrophobicContact CH2-CD2 3.82Å; W70-L85 HydrophobicContact CZ3-CD2 4.34Å; L71-L85 HydrophobicContact CD1-CD2 4.34Å; L71-L85 HydrophobicContact CD2-CD2 4.27Å; L71-L85 HydrophobicContact CD2-CG 4.4Å; I81-L85 HydrophobicContact CG2-CD1 4.19Å; I81-L85 VanDerWaalsContact O-CG 3.3Å; I81-L85 WeakPolarHBondContact O-CG 3.47Å; I81-L85 PolarHBondContact O-N 3.1Å; I81-L85 VanDerWaalsContact O-N 3.09Å; L82-L85 PolarHBondContact O-N 2.82Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.15Å; L85-E88 PolarHBondContact O-N 2.98Å; L85-Q89 PolarHBondContact O-N 3.47Å
86	V	92.3	Very high	89.5	Confident	101 Å²	101	74.9 Å²	74.9	61%	0.612	37%	0.371	S	S	*	.	H	α-helix	trans	-66.2	-43.3	176.3	167.8	0	0	0	0	110.8	L82 E83 E88 Q89 F90	L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 VanDerWaalsContact O-CG2 3.29Å; L82-V86 WeakPolarHBondContact O-CG2 3.49Å; L82-V86 PolarHBondContact O-N 3.16Å; E83-V86 PolarHBondContact O-N 3.21Å; V86-E88 VanDerWaalsContact C-N 3.3Å; V86-E88 PolarHBondContact O-N 3.05Å; V86-Q89 PolarHBondContact O-N 2.93Å; V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.12Å
87	L	90.7	Very high	89.2	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-44.3	169.3	167.1	62.4	0	0	0	111.3	E83 Q89 F90 L91 P107 E108 A113	E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 PolarHBondContact O-N 3.48Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3Å; L87-F90 PolarHBondContact O-N 3.48Å; L87-L91 HydrophobicContact CD1-CD1 4.04Å; L87-L91 HydrophobicContact CD1-CG 4Å; L87-L91 HydrophobicContact CG-CD1 4.48Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 3.45Å; L87-P107 HydrophobicContact CD1-CG 4.44Å; L87-E108 WeakPolarHBondContact CD2-O 3.27Å; L87-A113 HydrophobicContact CD1-CB 3.57Å
88	E	89.7	Confident	88.7	Confident	13 Å²	13	74.5 Å²	74.5	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-68.3	-31.2	-177.9	-171.9	67.7	145.4	0	0	113.4	R42 R46 W70 L84 L85 V86 A92	R42-E88 VanDerWaalsContact CG-OE1 3.22Å; R42-E88 WeakPolarHBondContact CG-OE1 3.48Å; R42-E88 IonicContact CZ-OE2 3.29Å; R42-E88 VanDerWaalsContact CZ-OE2 3.31Å; R42-E88 IonicContact NE-OE1 2.74Å; R42-E88 PolarHBondContact NE-OE1 3.04Å; R42-E88 IonicContact NE-OE2 3.03Å; R42-E88 PolarHBondContact NE-OE2 3.24Å; R42-E88 IonicContact NH2-OE2 3.96Å; R42-E88 PolarHBondContact NH2-OE2 3.17Å; R46-E88 WeakPolarHBondContact CD-OE1 3.26Å; R46-E88 IonicContact CZ-OE1 3.65Å; R46-E88 IonicContact CZ-OE2 3.96Å; R46-E88 VanDerWaalsContact CZ-OE2 3.25Å; R46-E88 IonicContact NE-OE1 3.02Å; R46-E88 PolarHBondContact NE-OE1 3.39Å; R46-E88 IonicContact NH1-OE1 3.31Å; R46-E88 PolarHBondContact NH1-OE1 2.76Å; R46-E88 IonicContact NH1-OE2 3.22Å; R46-E88 PolarHBondContact NH1-OE2 3.15Å; R46-E88 PolarHBondContact NH2-O 2.86Å; R46-E88 IonicContact NH2-OE1 2.77Å; R46-E88 IonicContact NH2-OE2 3.34Å; R46-E88 PolarHBondContact NH2-OE2 2.9Å; W70-E88 HydrophobicContact CH2-CB 4.03Å; W70-E88 HydrophobicContact CH2-CG 3.73Å; W70-E88 HydrophobicContact CZ2-CB 3.86Å; W70-E88 HydrophobicContact CZ2-CG 3.84Å; L84-E88 VanDerWaalsContact O-CB 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.92Å; L85-E88 PolarHBondContact O-N 2.98Å; V86-E88 VanDerWaalsContact C-N 3.3Å; V86-E88 PolarHBondContact O-N 3.05Å; E88-A92 PolarHBondContact O-N 3.44Å
89	Q	92.6	Very high	88.4	Confident	117 Å²	117	68.6 Å²	68.6	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-75	-40.1	170.3	-175.4	58.6	31.7	0	0	112.1	L85 V86 L87 L91 A92 I93	L85-Q89 PolarHBondContact O-N 3.47Å; V86-Q89 PolarHBondContact O-N 2.93Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3Å; Q89-L91 PolarHBondContact O-N 3.04Å; Q89-A92 WeakPolarHBondContact O-CA 3.38Å; Q89-A92 WeakPolarHBondContact O-CB 3.24Å; Q89-A92 PolarHBondContact O-N 3.42Å; Q89-I93 PolarHBondContact O-N 2.86Å; Q89-I93 VanDerWaalsContact O-N 3.12Å
90	F	91.8	Very high	88.1	Confident	54 Å²	54	67.2 Å²	67.2	24%	0.237	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-49.6	174.3	179	-104.4	0	0	0	110.8	V86 L87 A92 I93 L94 A113 V114 V117	V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.12Å; L87-F90 PolarHBondContact O-N 3.48Å; F90-A92 PolarHBondContact O-N 3.38Å; F90-A92 VanDerWaalsContact O-N 3.1Å; F90-I93 VanDerWaalsContact O-CG1 3.24Å; F90-I93 WeakPolarHBondContact O-CG1 2.97Å; F90-I93 PolarHBondContact O-N 3.48Å; F90-I93 VanDerWaalsContact O-N 3.16Å; F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 HydrophobicContact CE1-CD2 4.28Å; F90-L94 HydrophobicContact CE1-CG 4.44Å; F90-L94 HydrophobicContact CE2-CD2 4.43Å; F90-L94 HydrophobicContact CZ-CD2 4Å; F90-L94 PolarHBondContact O-N 3.15Å; F90-A113 HydrophobicContact CD1-CB 3.81Å; F90-A113 HydrophobicContact CE1-CB 3.78Å; F90-V114 HydrophobicContact CE1-CG2 4.12Å; F90-V114 HydrophobicContact CE2-CG2 4.23Å; F90-V114 HydrophobicContact CZ-CG2 3.72Å; F90-V117 HydrophobicContact CE1-CG2 4.42Å; F90-V117 HydrophobicContact CZ-CG2 4.37Å
91	L	87.9	Confident	87.9	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-12	174.7	-64.4	-176.8	0	0	0	113.9	L87 Q89 L94 Q99 V102 R103 P107 A113	L87-L91 HydrophobicContact CD1-CD1 4.04Å; L87-L91 HydrophobicContact CD1-CG 4Å; L87-L91 HydrophobicContact CG-CD1 4.48Å; L87-L91 WeakPolarHBondContact O-CG 3.4Å; L87-L91 PolarHBondContact O-N 3.45Å; Q89-L91 PolarHBondContact O-N 3.04Å; L91-L94 HydrophobicContact CD2-CD1 3.99Å; L91-Q99 WeakPolarHBondContact O-CG 3.27Å; L91-Q99 PolarHBondContact O-NE2 3.26Å; L91-V102 HydrophobicContact CD2-CB 4.41Å; L91-V102 HydrophobicContact CD2-CG1 3.55Å; L91-R103 HydrophobicContact CD1-CG 4.3Å; L91-R103 PolarHBondContact O-NE 2.94Å; L91-R103 PolarHBondContact O-NH2 2.9Å; L91-P107 HydrophobicContact CD1-CG 4.14Å; L91-P107 HydrophobicContact CD2-CG 4.31Å; L91-A113 HydrophobicContact CD2-CB 4.05Å
92	A	86.8	Confident	87.7	Confident	40 Å²	40	66 Å²	66	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-88.5	-31.2	173.9	0	0	0	0	0	113.1	E88 Q89 F90 Q99	E88-A92 PolarHBondContact O-N 3.44Å; Q89-A92 WeakPolarHBondContact O-CA 3.38Å; Q89-A92 WeakPolarHBondContact O-CB 3.24Å; Q89-A92 PolarHBondContact O-N 3.42Å; F90-A92 PolarHBondContact O-N 3.38Å; F90-A92 VanDerWaalsContact O-N 3.1Å; A92-Q99 PolarHBondContact O-NE2 2.82Å
93	I	89.5	Confident	87.3	Confident	117 Å²	117	64.3 Å²	64.3	60%	0.6	32%	0.318	S	S	*	.	H	α-helix	trans	-88.1	-12.5	-179.1	63.2	168.6	0	0	0	114.6	Q89 F90	Q89-I93 PolarHBondContact O-N 2.86Å; Q89-I93 VanDerWaalsContact O-N 3.12Å; F90-I93 VanDerWaalsContact O-CG1 3.24Å; F90-I93 WeakPolarHBondContact O-CG1 2.97Å; F90-I93 PolarHBondContact O-N 3.48Å; F90-I93 VanDerWaalsContact O-N 3.16Å
94	L	87.8	Confident	87	Confident	20 Å²	20	62.1 Å²	62.1	11%	0.105	32%	0.321	C	S	.	.	S	Bend	trans	-60.7	141.9	173.1	-68.8	176.8	0	0	0	111.4	F90 L91 Q99 V102 V117	F90-L94 HydrophobicContact CE1-CD1 4.19Å; F90-L94 HydrophobicContact CE1-CD2 4.28Å; F90-L94 HydrophobicContact CE1-CG 4.44Å; F90-L94 HydrophobicContact CE2-CD2 4.43Å; F90-L94 HydrophobicContact CZ-CD2 4Å; F90-L94 PolarHBondContact O-N 3.15Å; L91-L94 HydrophobicContact CD2-CD1 3.99Å; L94-Q99 HydrophobicContact CB-CB 4.27Å; L94-Q99 PolarHBondContact O-NE2 3.06Å; L94-V102 HydrophobicContact CD1-CB 4.04Å; L94-V102 HydrophobicContact CD1-CG1 4.05Å; L94-V102 HydrophobicContact CD1-CG2 4.08Å; L94-V117 HydrophobicContact CD1-CG2 3.98Å; L94-V117 HydrophobicContact CD2-CG2 3.87Å
95	P	86.4	Confident	86.7	Confident	54 Å²	54	65.5 Å²	65.5	35%	0.351	34%	0.335	S	S	.	.			trans	-52.6	152	172.4	-24.7	33.8	0	0	0	111.9	E97 I98 Q99	P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 VanDerWaalsContact CB-OE2 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.45Å; P95-E97 PolarHBondContact O-N 3.45Å; P95-I98 HydrophobicContact CB-CD1 4.16Å; P95-I98 HydrophobicContact CG-CD1 4.41Å; P95-I98 CarbonylContact O-C 3.59Å; P95-I98 VanDerWaalsContact O-CA 3.27Å; P95-I98 WeakPolarHBondContact O-CA 3.41Å; P95-I98 PolarHBondContact O-N 3.35Å; P95-Q99 VanDerWaalsContact O-CB 3.25Å; P95-Q99 WeakPolarHBondContact O-CB 3.47Å; P95-Q99 PolarHBondContact O-N 3.11Å
96	R	81.3	Confident	86.4	Confident	197 Å²	197	66.4 Å²	66.4	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-34.7	-167.8	-65.4	-177.2	175.8	-78.6	-0	113	I98 S100	R96-I98 VanDerWaalsContact C-N 3.35Å; R96-S100 PolarHBondContact O-N 3.17Å
97	E	82.4	Confident	86	Confident	118 Å²	118	61.7 Å²	61.7	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-61.1	-49.5	174.9	-49.8	64.5	-136	0	0	108.7	P95 S100	P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 VanDerWaalsContact CB-OE2 3.25Å; P95-E97 WeakPolarHBondContact CB-OE2 3.45Å; P95-E97 PolarHBondContact O-N 3.45Å; E97-S100 PolarHBondContact O-OG 3.35Å; E97-S100 VanDerWaalsContact O-OG 3.12Å
98	I	83	Confident	85.5	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-54.7	-58.2	174.1	32.4	48.8	0	0	0	113	P95 R96 S100 W101 V102 V117 L120 W128	P95-I98 HydrophobicContact CB-CD1 4.16Å; P95-I98 HydrophobicContact CG-CD1 4.41Å; P95-I98 CarbonylContact O-C 3.59Å; P95-I98 VanDerWaalsContact O-CA 3.27Å; P95-I98 WeakPolarHBondContact O-CA 3.41Å; P95-I98 PolarHBondContact O-N 3.35Å; R96-I98 VanDerWaalsContact C-N 3.35Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.2Å; I98-W101 PolarHBondContact O-N 3.13Å; I98-V102 HydrophobicContact CG2-CG2 3.86Å; I98-V102 PolarHBondContact O-N 3.3Å; I98-V102 VanDerWaalsContact O-N 3.07Å; I98-V117 HydrophobicContact CG2-CG2 4.46Å; I98-L120 HydrophobicContact CB-CD2 3.63Å; I98-L120 HydrophobicContact CG1-CD2 3.76Å; I98-L120 HydrophobicContact CG2-CD2 3.83Å; I98-W128 HydrophobicContact CB-CZ2 4.26Å; I98-W128 HydrophobicContact CD1-CD2 4.01Å; I98-W128 HydrophobicContact CD1-CE3 3.88Å; I98-W128 HydrophobicContact CD1-CH2 3.27Å; I98-W128 HydrophobicContact CD1-CZ2 3.36Å; I98-W128 HydrophobicContact CD1-CZ3 3.51Å; I98-W128 HydrophobicContact CG1-CD2 4.42Å; I98-W128 HydrophobicContact CG1-CH2 4Å; I98-W128 HydrophobicContact CG1-CZ2 3.54Å; I98-W128 HydrophobicContact CG2-CH2 4.14Å; I98-W128 HydrophobicContact CG2-CZ2 3.68Å
99	Q	84.6	Confident	85.3	Confident	42 Å²	42	71 Å²	71	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-37.9	-168	-179.2	174.6	98.7	0	0	112.5	L91 A92 L94 P95 R103	L91-Q99 WeakPolarHBondContact O-CG 3.27Å; L91-Q99 PolarHBondContact O-NE2 3.26Å; A92-Q99 PolarHBondContact O-NE2 2.82Å; L94-Q99 HydrophobicContact CB-CB 4.27Å; L94-Q99 PolarHBondContact O-NE2 3.06Å; P95-Q99 VanDerWaalsContact O-CB 3.25Å; P95-Q99 WeakPolarHBondContact O-CB 3.47Å; P95-Q99 PolarHBondContact O-N 3.11Å; Q99-R103 VanDerWaalsContact O-CB 3.26Å; Q99-R103 WeakPolarHBondContact O-CB 3.49Å; Q99-R103 VanDerWaalsContact O-CD 3.23Å; Q99-R103 WeakPolarHBondContact O-CD 3.48Å; Q99-R103 WeakPolarHBondContact O-CG 3.32Å; Q99-R103 PolarHBondContact O-N 3.46Å
100	S	82.8	Confident	85.1	Confident	83 Å²	83	66.8 Å²	66.8	58%	0.58	35%	0.346	S	S	*	.	H	α-helix	trans	-67.3	-43.1	179.3	66.8	0	0	0	0	112.8	R96 E97 I98 A104	R96-S100 PolarHBondContact O-N 3.17Å; E97-S100 PolarHBondContact O-OG 3.35Å; E97-S100 VanDerWaalsContact O-OG 3.12Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.2Å; S100-A104 PolarHBondContact O-N 2.83Å
101	W	84	Confident	84.9	Confident	89 Å²	89	72 Å²	72	34%	0.337	37%	0.371	S	S	.	.	H	α-helix	trans	-72.9	-46.4	-179.3	-173	97.5	0	0	0	111.7	I98 R103 A104 Q105 A116 L120	I98-W101 PolarHBondContact O-N 3.13Å; W101-R103 VanDerWaalsContact C-N 3.28Å; W101-R103 PolarHBondContact O-N 3.25Å; W101-A104 WeakPolarHBondContact O-CB 3.35Å; W101-A104 PolarHBondContact O-N 3.03Å; W101-Q105 HydrophobicContact CE3-CG 4.12Å; W101-Q105 HydrophobicContact CH2-CG 4.06Å; W101-Q105 VanDerWaalsContact CH2-NE2 3.3Å; W101-Q105 HydrophobicContact CZ3-CG 3.83Å; W101-Q105 PolarHBondContact O-N 2.72Å; W101-A116 HydrophobicContact CZ3-CB 4Å; W101-A116 WeakPolarHBondContact CZ3-O 3.37Å; W101-L120 HydrophobicContact CB-CD2 4.36Å; W101-L120 HydrophobicContact CD2-CD1 4.08Å; W101-L120 HydrophobicContact CD2-CD2 4.03Å; W101-L120 HydrophobicContact CD2-CG 4.48Å; W101-L120 HydrophobicContact CE3-CB 4.23Å; W101-L120 HydrophobicContact CE3-CD2 4.02Å; W101-L120 HydrophobicContact CE3-CG 4.49Å; W101-L120 HydrophobicContact CG-CD1 4.41Å; W101-L120 HydrophobicContact CG-CD2 4.2Å; W101-L120 HydrophobicContact CH2-CB 4.25Å; W101-L120 HydrophobicContact CZ2-CD1 4.21Å; W101-L120 HydrophobicContact CZ3-CB 4.05Å
102	V	86	Confident	85	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-34	-179.7	179.2	0	0	0	0	111.4	L91 L94 I98 A104 Q105 P107 A113 A116 V117	L91-V102 HydrophobicContact CD2-CB 4.41Å; L91-V102 HydrophobicContact CD2-CG1 3.55Å; L94-V102 HydrophobicContact CD1-CB 4.04Å; L94-V102 HydrophobicContact CD1-CG1 4.05Å; L94-V102 HydrophobicContact CD1-CG2 4.08Å; I98-V102 HydrophobicContact CG2-CG2 3.86Å; I98-V102 PolarHBondContact O-N 3.3Å; I98-V102 VanDerWaalsContact O-N 3.07Å; V102-A104 VanDerWaalsContact C-N 3.31Å; V102-A104 PolarHBondContact O-N 2.96Å; V102-Q105 PolarHBondContact O-N 3.25Å; V102-P107 HydrophobicContact CG1-CG 4.41Å; V102-P107 VanDerWaalsContact O-CD 3.22Å; V102-P107 WeakPolarHBondContact O-CD 3.4Å; V102-A113 HydrophobicContact CG1-CB 4.39Å; V102-A116 HydrophobicContact CG1-CB 4.18Å; V102-V117 HydrophobicContact CG1-CG2 4.5Å; V102-V117 HydrophobicContact CG2-CG2 3.68Å
103	R	83.9	Confident	85.1	Confident	72 Å²	72	74 Å²	74	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-71.2	-23.3	173.3	-71.5	170.4	-176.7	-122.6	5.6	113.6	L91 Q99 W101 Q105 E106	L91-R103 HydrophobicContact CD1-CG 4.3Å; L91-R103 PolarHBondContact O-NE 2.94Å; L91-R103 PolarHBondContact O-NH2 2.9Å; Q99-R103 VanDerWaalsContact O-CB 3.26Å; Q99-R103 WeakPolarHBondContact O-CB 3.49Å; Q99-R103 VanDerWaalsContact O-CD 3.23Å; Q99-R103 WeakPolarHBondContact O-CD 3.48Å; Q99-R103 WeakPolarHBondContact O-CG 3.32Å; Q99-R103 PolarHBondContact O-N 3.46Å; W101-R103 VanDerWaalsContact C-N 3.28Å; W101-R103 PolarHBondContact O-N 3.25Å; R103-Q105 VanDerWaalsContact C-N 3.28Å; R103-E106 PolarHBondContact O-N 3.2Å
104	A	84.4	Confident	85.2	Confident	75 Å²	75	71.3 Å²	71.3	62%	0.62	36%	0.362	S	S	*	.	H	α-helix	trans	-75.2	-18	174.2	0	0	0	0	0	113	S100 W101 V102	S100-A104 PolarHBondContact O-N 2.83Å; W101-A104 WeakPolarHBondContact O-CB 3.35Å; W101-A104 PolarHBondContact O-N 3.03Å; V102-A104 VanDerWaalsContact C-N 3.31Å; V102-A104 PolarHBondContact O-N 2.96Å
105	Q	82.9	Confident	85.3	Confident	99 Å²	99	73 Å²	73	46%	0.463	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.9	170.8	-55.6	-65.7	3.8	0	0	113.3	W101 V102 R103 P107 A116	W101-Q105 HydrophobicContact CE3-CG 4.12Å; W101-Q105 HydrophobicContact CH2-CG 4.06Å; W101-Q105 VanDerWaalsContact CH2-NE2 3.3Å; W101-Q105 HydrophobicContact CZ3-CG 3.83Å; W101-Q105 PolarHBondContact O-N 2.72Å; V102-Q105 PolarHBondContact O-N 3.25Å; R103-Q105 VanDerWaalsContact C-N 3.28Å; Q105-P107 VanDerWaalsContact C-CD 3.5Å; Q105-A116 HydrophobicContact CG-CB 4.46Å
106	E	83.4	Confident	85.4	Confident	95 Å²	95	71 Å²	71	44%	0.444	37%	0.367	S	S	.	.			trans	38.5	54.8	179.2	-52.5	-160.7	153.8	0	0	114.8	R43 R103 E108	R43-E106 IonicContact CZ-OE1 2.71Å; R43-E106 IonicContact NH1-OE1 3.42Å; R43-E106 PolarHBondContact NH1-OE1 3.02Å; R43-E106 VanDerWaalsContact NH2-CD 3.31Å; R43-E106 IonicContact NH2-OE1 2.72Å; R43-E106 PolarHBondContact NH2-OE1 3.03Å; R103-E106 PolarHBondContact O-N 3.2Å; E106-E108 PolarHBondContact O-N 3.41Å
107	P	83.6	Confident	85.7	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.013	34%	0.337	C	S	.	.			trans	-65.5	133.8	-174.5	26.7	-35	0	0	0	112.2	L87 L91 V102 Q105 Q112 A113	L87-P107 HydrophobicContact CD1-CG 4.44Å; L91-P107 HydrophobicContact CD1-CG 4.14Å; L91-P107 HydrophobicContact CD2-CG 4.31Å; V102-P107 HydrophobicContact CG1-CG 4.41Å; V102-P107 VanDerWaalsContact O-CD 3.22Å; V102-P107 WeakPolarHBondContact O-CD 3.4Å; Q105-P107 VanDerWaalsContact C-CD 3.5Å; P107-Q112 HydrophobicContact CB-CB 4.03Å; P107-Q112 HydrophobicContact CB-CG 3.94Å; P107-A113 HydrophobicContact CB-CB 3.92Å; P107-A113 HydrophobicContact CG-CB 3.86Å
108	E	80.8	Confident	86	Confident	162 Å²	162	60.5 Å²	60.5	76%	0.757	33%	0.328	S	S	*	.	S	Bend	trans	-91.1	-24.7	178.6	-59.3	-168.5	147	0	0	112.2	L87 E106	L87-E108 WeakPolarHBondContact CD2-O 3.27Å; E106-E108 PolarHBondContact O-N 3.41Å
109	S	86.7	Confident	86.2	Confident	46 Å²	46	62.3 Å²	62.3	32%	0.322	34%	0.343	S	S	.	.	S	Bend	trans	-123.7	158.7	177.2	82.8	0	0	0	0	113.3	E111 Q112 A113	S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 2.99Å; S109-E111 PolarHBondContact OG-N 2.93Å; S109-Q112 PolarHBondContact O-N 3.48Å; S109-Q112 PolarHBondContact OG-N 2.88Å; S109-Q112 VanDerWaalsContact OG-N 3.08Å; S109-A113 PolarHBondContact O-N 3.04Å; S109-A113 VanDerWaalsContact O-N 3.08Å
110	G	87.3	Confident	85.9	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-39.5	172.6	0	0	0	0	0	112.7	A113 V114	G110-A113 PolarHBondContact O-N 2.68Å; G110-V114 WeakPolarHBondContact O-CG2 3.37Å; G110-V114 PolarHBondContact O-N 2.81Å
111	E	88.4	Confident	85.6	Confident	165 Å²	165	63 Å²	63	77%	0.771	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-42.2	176.4	-59.1	-174.5	151.4	0	0	111.9	S109 A113 V114 A115	S109-E111 VanDerWaalsContact C-N 3.29Å; S109-E111 PolarHBondContact O-N 2.99Å; S109-E111 PolarHBondContact OG-N 2.93Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.75Å; E111-V114 PolarHBondContact O-N 3.33Å; E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.99Å
112	Q	89.9	Confident	85.2	Confident	83 Å²	83	67.1 Å²	67.1	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-65	-38.2	176.4	-170.6	-174.7	-1.1	0	0	111.6	P107 S109 A116	P107-Q112 HydrophobicContact CB-CB 4.03Å; P107-Q112 HydrophobicContact CB-CG 3.94Å; S109-Q112 PolarHBondContact O-N 3.48Å; S109-Q112 PolarHBondContact OG-N 2.88Å; S109-Q112 VanDerWaalsContact OG-N 3.08Å; Q112-A116 VanDerWaalsContact O-CB 3.3Å; Q112-A116 WeakPolarHBondContact O-CB 3.25Å; Q112-A116 PolarHBondContact O-N 2.96Å
113	A	89.2	Confident	84.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-67.5	-37.7	175.1	0	0	0	0	0	112.6	L87 F90 L91 V102 P107 S109 G110 E111 V117	L87-A113 HydrophobicContact CD1-CB 3.57Å; F90-A113 HydrophobicContact CD1-CB 3.81Å; F90-A113 HydrophobicContact CE1-CB 3.78Å; L91-A113 HydrophobicContact CD2-CB 4.05Å; V102-A113 HydrophobicContact CG1-CB 4.39Å; P107-A113 HydrophobicContact CB-CB 3.92Å; P107-A113 HydrophobicContact CG-CB 3.86Å; S109-A113 PolarHBondContact O-N 3.04Å; S109-A113 VanDerWaalsContact O-N 3.08Å; G110-A113 PolarHBondContact O-N 2.68Å; E111-A113 VanDerWaalsContact C-N 3.34Å; E111-A113 PolarHBondContact O-N 2.75Å; A113-V117 WeakPolarHBondContact O-CG2 3.48Å; A113-V117 PolarHBondContact O-N 3.2Å; A113-V117 VanDerWaalsContact O-N 3.13Å
114	V	90.8	Very high	82.8	Confident	61 Å²	61	75.9 Å²	75.9	37%	0.37	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-48.5	173.3	170.8	0	0	0	0	110.7	F90 G110 E111 A116 V117 E118	F90-V114 HydrophobicContact CE1-CG2 4.12Å; F90-V114 HydrophobicContact CE2-CG2 4.23Å; F90-V114 HydrophobicContact CZ-CG2 3.72Å; G110-V114 WeakPolarHBondContact O-CG2 3.37Å; G110-V114 PolarHBondContact O-N 2.81Å; E111-V114 PolarHBondContact O-N 3.33Å; V114-A116 PolarHBondContact O-N 2.92Å; V114-V117 WeakPolarHBondContact O-CA 3.29Å; V114-V117 WeakPolarHBondContact O-CB 3.28Å; V114-V117 PolarHBondContact O-N 3.26Å; V114-E118 HydrophobicContact CG1-CG 4.33Å; V114-E118 PolarHBondContact O-N 3.35Å
115	A	90.6	Very high	81.7	Confident	55 Å²	55	74.8 Å²	74.8	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-35.7	177.3	0	0	0	0	0	112.3	E111 A119	E111-A115 WeakPolarHBondContact O-CB 3.46Å; E111-A115 PolarHBondContact O-N 2.99Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 3.14Å
116	A	87.9	Confident	80.8	Confident	13 Å²	13	77.8 Å²	77.8	11%	0.107	41%	0.412	C	S	.	.	H	α-helix	trans	-64.2	-45.9	171.9	0	0	0	0	0	112.1	W101 V102 Q105 Q112 V114 A119 L120	W101-A116 HydrophobicContact CZ3-CB 4Å; W101-A116 WeakPolarHBondContact CZ3-O 3.37Å; V102-A116 HydrophobicContact CG1-CB 4.18Å; Q105-A116 HydrophobicContact CG-CB 4.46Å; Q112-A116 VanDerWaalsContact O-CB 3.3Å; Q112-A116 WeakPolarHBondContact O-CB 3.25Å; Q112-A116 PolarHBondContact O-N 2.96Å; V114-A116 PolarHBondContact O-N 2.92Å; A116-A119 PolarHBondContact O-N 3.41Å; A116-L120 PolarHBondContact O-N 2.83Å; A116-L120 VanDerWaalsContact O-N 3.13Å
117	V	88.1	Confident	79	Confident	18 Å²	18	76 Å²	76	11%	0.109	41%	0.408	C	S	.	.	H	α-helix	trans	-59	-50.7	174.2	172.6	0	0	0	0	110.9	F90 L94 I98 V102 A113 V114 A119 L120 E121 W128	F90-V117 HydrophobicContact CE1-CG2 4.42Å; F90-V117 HydrophobicContact CZ-CG2 4.37Å; L94-V117 HydrophobicContact CD1-CG2 3.98Å; L94-V117 HydrophobicContact CD2-CG2 3.87Å; I98-V117 HydrophobicContact CG2-CG2 4.46Å; V102-V117 HydrophobicContact CG1-CG2 4.5Å; V102-V117 HydrophobicContact CG2-CG2 3.68Å; A113-V117 WeakPolarHBondContact O-CG2 3.48Å; A113-V117 PolarHBondContact O-N 3.2Å; A113-V117 VanDerWaalsContact O-N 3.13Å; V114-V117 WeakPolarHBondContact O-CA 3.29Å; V114-V117 WeakPolarHBondContact O-CB 3.28Å; V114-V117 PolarHBondContact O-N 3.26Å; V117-A119 VanDerWaalsContact C-N 3.28Å; V117-A119 PolarHBondContact O-N 3.48Å; V117-L120 PolarHBondContact O-N 2.67Å; V117-L120 VanDerWaalsContact O-N 3.14Å; V117-E121 PolarHBondContact O-N 3.39Å; V117-W128 HydrophobicContact CG1-CZ2 4.33Å
118	E	88.6	Confident	77.5	Confident	77 Å²	77	78.7 Å²	78.7	36%	0.36	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-27.8	-179.7	-59.3	-171.2	-179	0	0	113.4	V114 E121 R122	V114-E118 HydrophobicContact CG1-CG 4.33Å; V114-E118 PolarHBondContact O-N 3.35Å; E118-E121 PolarHBondContact O-N 3.41Å; E118-R122 VanDerWaalsContact O-CG 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.4Å; E118-R122 PolarHBondContact O-N 3.06Å; E118-R122 PolarHBondContact O-NH1 3.44Å; E118-R122 IonicContact OE2-CZ 2.81Å; E118-R122 IonicContact OE2-NH1 3.92Å; E118-R122 PolarHBondContact OE2-NH1 2.83Å; E118-R122 IonicContact OE2-NH2 3.04Å; E118-R122 PolarHBondContact OE2-NH2 3.05Å
119	A	86	Confident	76	Confident	42 Å²	42	77 Å²	77	35%	0.347	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-44.9	172.5	0	0	0	0	0	110.4	A115 A116 V117 E121 R122 E123	A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 3.14Å; A116-A119 PolarHBondContact O-N 3.41Å; V117-A119 VanDerWaalsContact C-N 3.28Å; V117-A119 PolarHBondContact O-N 3.48Å; A119-E121 VanDerWaalsContact C-N 3.27Å; A119-E121 PolarHBondContact O-N 3.34Å; A119-R122 PolarHBondContact O-N 2.88Å; A119-E123 PolarHBondContact O-N 3.41Å
120	L	79.3	Confident	74.1	Confident	22 Å²	22	83 Å²	83	12%	0.115	43%	0.426	C	S	.	.	H	α-helix	trans	-66.6	-25.8	175.8	-169.5	66.4	0	0	0	113.1	I98 W101 A116 V117 R122	I98-L120 HydrophobicContact CB-CD2 3.63Å; I98-L120 HydrophobicContact CG1-CD2 3.76Å; I98-L120 HydrophobicContact CG2-CD2 3.83Å; W101-L120 HydrophobicContact CB-CD2 4.36Å; W101-L120 HydrophobicContact CD2-CD1 4.08Å; W101-L120 HydrophobicContact CD2-CD2 4.03Å; W101-L120 HydrophobicContact CD2-CG 4.48Å; W101-L120 HydrophobicContact CE3-CB 4.23Å; W101-L120 HydrophobicContact CE3-CD2 4.02Å; W101-L120 HydrophobicContact CE3-CG 4.49Å; W101-L120 HydrophobicContact CG-CD1 4.41Å; W101-L120 HydrophobicContact CG-CD2 4.2Å; W101-L120 HydrophobicContact CH2-CB 4.25Å; W101-L120 HydrophobicContact CZ2-CD1 4.21Å; W101-L120 HydrophobicContact CZ3-CB 4.05Å; A116-L120 PolarHBondContact O-N 2.83Å; A116-L120 VanDerWaalsContact O-N 3.13Å; V117-L120 PolarHBondContact O-N 2.67Å; V117-L120 VanDerWaalsContact O-N 3.14Å; L120-R122 VanDerWaalsContact C-N 3.33Å
121	E	75.8	Confident	72	Confident	119 Å²	119	87 Å²	87	56%	0.556	44%	0.44	S	S	*	.	H	α-helix	trans	-74.2	-20.5	170.9	-70.5	-172	156.5	0	0	113.6	V117 E118 A119 W128	V117-E121 PolarHBondContact O-N 3.39Å; E118-E121 PolarHBondContact O-N 3.41Å; A119-E121 VanDerWaalsContact C-N 3.27Å; A119-E121 PolarHBondContact O-N 3.34Å; E121-W128 HydrophobicContact CG-CZ2 4.1Å
122	R	75.9	Confident	70	Confident	174 Å²	174	86.4 Å²	86.4	66%	0.657	44%	0.435	S	S	*	.	H	α-helix	trans	-91.3	-12.6	179.3	-71	171.6	-176.5	115	4.5	113.8	E118 A119 L120 P124	E118-R122 VanDerWaalsContact O-CG 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.4Å; E118-R122 PolarHBondContact O-N 3.06Å; E118-R122 PolarHBondContact O-NH1 3.44Å; E118-R122 IonicContact OE2-CZ 2.81Å; E118-R122 IonicContact OE2-NH1 3.92Å; E118-R122 PolarHBondContact OE2-NH1 2.83Å; E118-R122 IonicContact OE2-NH2 3.04Å; E118-R122 PolarHBondContact OE2-NH2 3.05Å; A119-R122 PolarHBondContact O-N 2.88Å; L120-R122 VanDerWaalsContact C-N 3.33Å; R122-P124 WeakPolarHBondContact O-CD 3.3Å
123	E	67.9	Low	67.8	Low	130 Å²	130	88.4 Å²	88.4	61%	0.607	44%	0.444	S	S	*	.			trans	-72.6	115.8	178.5	-77.2	-63.9	155	0	0	112.6	A119 G125	A119-E123 PolarHBondContact O-N 3.41Å; E123-G125 PolarHBondContact O-N 3.23Å
124	P	52.3	Low	65.1	Low	126 Å²	126	93.6 Å²	93.6	82%	0.818	48%	0.479	S	S	*	.	S	Bend	trans	-81.5	84.5	-176.8	33.2	-34.4	0	0	0	111.9	R122	R122-P124 WeakPolarHBondContact O-CD 3.3Å
125	G	60.9	Low	62.8	Low	53 Å²	53	96.3 Å²	96.3	55%	0.546	49%	0.488	S	S	.	.	S	Bend	trans	-171	-50	172.2	0	0	0	0	0	118.1	E123	E123-G125 PolarHBondContact O-N 3.23Å
126	R	63.2	Low	60.2	Low	161 Å²	161	98.8 Å²	98.8	61%	0.608	49%	0.493	S	S	*	.	S	Bend	trans	-162.8	168.8	179.5	-72.7	-155.4	-163.6	-62.1	0.5	109.7
127	P	46.5	Very low	57.8	Low	57 Å²	57	103.4 Å²	103.4	37%	0.37	52%	0.522	S	S	.	.	S	Bend	cis	-109.4	-11.1	-11	15.4	5.5	0	0	0	113.4	Q129 W130	P127-Q129 VanDerWaalsContact C-N 3.27Å; P127-Q129 PolarHBondContact O-N 3.19Å; P127-Q129 VanDerWaalsContact O-N 3.11Å; P127-W130 WeakPolarHBondContact O-CB 3.42Å; P127-W130 PolarHBondContact O-N 3.25Å
128	W	51.5	Low	55.2	Low	59 Å²	59	108.9 Å²	108.9	22%	0.223	56%	0.555	C	S	.	*	H	α-helix	trans	-57.1	-30.8	-167.1	-63.5	105.6	0	0	0	115.7	I98 V117 E121 W130 L131 K132	I98-W128 HydrophobicContact CB-CZ2 4.26Å; I98-W128 HydrophobicContact CD1-CD2 4.01Å; I98-W128 HydrophobicContact CD1-CE3 3.88Å; I98-W128 HydrophobicContact CD1-CH2 3.27Å; I98-W128 HydrophobicContact CD1-CZ2 3.36Å; I98-W128 HydrophobicContact CD1-CZ3 3.51Å; I98-W128 HydrophobicContact CG1-CD2 4.42Å; I98-W128 HydrophobicContact CG1-CH2 4Å; I98-W128 HydrophobicContact CG1-CZ2 3.54Å; I98-W128 HydrophobicContact CG2-CH2 4.14Å; I98-W128 HydrophobicContact CG2-CZ2 3.68Å; V117-W128 HydrophobicContact CG1-CZ2 4.33Å; E121-W128 HydrophobicContact CG-CZ2 4.1Å; W128-W130 PolarHBondContact O-N 3.25Å; W128-L131 PolarHBondContact O-N 3.08Å; W128-K132 PolarHBondContact O-N 3.47Å
129	Q	49.2	Very low	52.6	Low	127 Å²	127	110.8 Å²	110.8	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-61.2	-33.2	177.5	-71	175.1	-18.2	0	0	112.2	P127 K132 H133	P127-Q129 VanDerWaalsContact C-N 3.27Å; P127-Q129 PolarHBondContact O-N 3.19Å; P127-Q129 VanDerWaalsContact O-N 3.11Å; Q129-K132 PolarHBondContact O-N 3Å; Q129-H133 PolarHBondContact O-CD2 3.47Å; Q129-H133 PolarHBondContact O-N 2.83Å
130	W	46.3	Very low	50.1	Low	173 Å²	173	115.1 Å²	115.1	66%	0.655	59%	0.588	S	S	*	*	H	α-helix	trans	-69	-36.6	178.6	-69.6	8.4	0	0	0	111.5	P127 W128 K132 H133 C134	P127-W130 WeakPolarHBondContact O-CB 3.42Å; P127-W130 PolarHBondContact O-N 3.25Å; W128-W130 PolarHBondContact O-N 3.25Å; W130-K132 VanDerWaalsContact C-N 3.34Å; W130-H133 PolarHBondContact O-N 2.79Å; W130-C134 PolarHBondContact O-N 2.84Å; W130-C134 PolarHBondContact O-SG 3.32Å
131	L	43.8	Very low	47.6	Very low	112 Å²	112	120.7 Å²	120.7	59%	0.586	62%	0.618	S	S	*	*	H	α-helix	trans	-69.5	-31.3	175.5	-167.6	65.4	0	0	0	112.3	W128	W128-L131 PolarHBondContact O-N 3.08Å
132	K	46.9	Very low	45.5	Very low	153 Å²	153	122.5 Å²	122.5	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-72.4	-38.1	173.3	-74.2	-176	176.1	175.6	0	113.1	W128 Q129 W130 C134 E135	W128-K132 PolarHBondContact O-N 3.47Å; Q129-K132 PolarHBondContact O-N 3Å; W130-K132 VanDerWaalsContact C-N 3.34Å; K132-C134 VanDerWaalsContact C-N 3.34Å; K132-E135 PolarHBondContact O-N 2.72Å
133	H	42.3	Very low	43.4	Very low	124 Å²	124	117 Å²	117	57%	0.574	63%	0.629	S	S	*	*	H	α-helix	trans	-87.5	3.7	-178.8	-67.9	-55.1	0	0	0	114.9	Q129 W130 D136	Q129-H133 PolarHBondContact O-CD2 3.47Å; Q129-H133 PolarHBondContact O-N 2.83Å; W130-H133 PolarHBondContact O-N 2.79Å; H133-D136 IonicContact CE1-OD2 3.22Å; H133-D136 IonicContact ND1-OD2 2.72Å; H133-D136 PolarHBondContact ND1-OD2 3.09Å
134	C	33.6	Very low	41.5	Very low	109 Å²	109	118.6 Å²	118.6	74%	0.736	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-9	164.3	-73.2	0	0	0	0	113.4	W130 K132	W130-C134 PolarHBondContact O-N 2.84Å; W130-C134 PolarHBondContact O-SG 3.32Å; K132-C134 VanDerWaalsContact C-N 3.34Å
135	E	42.7	Very low	40.3	Very low	119 Å²	119	117.6 Å²	117.6	56%	0.556	64%	0.638	S	S	*	*	S	Bend	trans	-88.5	-6.4	173	-68.7	-174.7	133.7	0	0	112.9	K132 R429	K132-E135 PolarHBondContact O-N 2.72Å; E135-R429 IonicContact OE1-CZ 3.01Å; E135-R429 IonicContact OE1-NE 3.27Å; E135-R429 PolarHBondContact OE1-NE 2.72Å; E135-R429 IonicContact OE1-NH2 3.71Å; E135-R429 PolarHBondContact OE1-NH2 3.5Å; E135-R429 IonicContact OE2-NH2 2.78Å; E135-R429 PolarHBondContact OE2-NH2 2.86Å
136	D	36	Very low	39.3	Very low	106 Å²	106	120.4 Å²	120.4	57%	0.567	65%	0.646	S	S	*	*	S	Bend	trans	-91.1	126.7	177	-69.7	-48.5	0	0	0	111.7	H133	H133-D136 IonicContact CE1-OD2 3.22Å; H133-D136 IonicContact ND1-OD2 2.72Å; H133-D136 PolarHBondContact ND1-OD2 3.09Å
137	P	37.2	Very low	37.6	Very low	110 Å²	110	119.5 Å²	119.5	71%	0.714	65%	0.653	S	S	*	*			trans	-74.9	138.5	177.3	30.2	-34	0	0	0	112	V139	P137-V139 PolarHBondContact O-N 2.89Å
138	V	34.2	Very low	36.7	Very low	133 Å²	133	122.3 Å²	122.3	81%	0.806	67%	0.665	S	S	*	*			trans	-63.8	107.4	169.2	177.4	0	0	0	0	109.1	I140	V138-I140 PolarHBondContact O-N 3.34Å
139	V	32.7	Very low	35.6	Very low	117 Å²	117	126.5 Å²	126.5	71%	0.709	69%	0.687	S	S	*	*			trans	-71	110.4	167.1	-179	0	0	0	0	107.7	P137 D141	P137-V139 PolarHBondContact O-N 2.89Å; V139-D141 HydrophobicContact CG1-CB 4.4Å; V139-D141 PolarHBondContact O-N 3.07Å
140	I	33.3	Very low	34.6	Very low	133 Å²	133	126.7 Å²	126.7	68%	0.682	69%	0.687	S	S	*	*			trans	-79.8	104.7	160.2	-60.5	174.1	0	0	0	105.5	V138	V138-I140 PolarHBondContact O-N 3.34Å
141	D	28.2	Very low	33.7	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	69%	0.689	S	S	*	*			trans	-92.2	103.2	170.6	-163.2	63.4	0	0	0	107.6	V139 G143	V139-D141 HydrophobicContact CG1-CB 4.4Å; V139-D141 PolarHBondContact O-N 3.07Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.27Å
142	D	30.3	Very low	33	Very low	156 Å²	156	127 Å²	127	83%	0.834	69%	0.693	S	S	*	*			trans	-75.8	86.9	177.7	-85.9	-55.4	0	0	0	108.8
143	G	32.3	Very low	32.1	Very low	58 Å²	58	126.8 Å²	126.8	60%	0.598	69%	0.694	S	S	*	*			trans	-69.4	179.3	-155.6	0	0	0	0	0	118.1	D141	D141-G143 VanDerWaalsContact C-N 3.3Å; D141-G143 PolarHBondContact O-N 3.27Å
144	D	27.7	Very low	31.3	Very low	164 Å²	164	128.5 Å²	128.5	88%	0.877	71%	0.707	S	S	*	*			trans	-135.8	156.6	157.9	-131.9	-27	0	0	0	110.5
145	S	26.8	Very low	31.1	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	71%	0.71	S	S	*	*			trans	-127.8	163.1	179.3	-73.6	0	0	0	0	108
146	P	40.2	Very low	30.3	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	72%	0.722	S	S	*	*			cis	-153.1	-165.3	30.9	40.4	-16.7	0	0	0	117
147	L	28.1	Very low	30.1	Very low	143 Å²	143	132.7 Å²	132.7	75%	0.749	73%	0.732	S	S	*	*			trans	92.2	140.1	147.9	-73.6	170	0	0	0	122.3
148	D	27.3	Very low	30	Very low	116 Å²	116	133.1 Å²	133.1	62%	0.62	74%	0.735	S	S	*	*			trans	75.5	100.5	146.6	-58.2	-21.4	0	0	0	124.2
149	Q	29	Very low	29.7	Very low	147 Å²	147	134 Å²	134	69%	0.687	73%	0.73	S	S	*	*				80.1	120.8	119.1	-75.4	179.3	-114.3	0	0	122.5
150	E	27.6	Very low	29.3	Very low	130 Å²	130	134.4 Å²	134.4	61%	0.607	74%	0.738	S	S	*	*			trans	84.4	123.4	132.5	-71.6	-178	101.8	0	0	122.7
151	Q	27	Very low	29.1	Very low	149 Å²	149	134 Å²	134	70%	0.696	74%	0.737	S	S	*	*				62.9	142	128.4	-63.9	-173.8	42	0	0	119.3
152	E	28.8	Very low	29.2	Very low	144 Å²	144	135 Å²	135	67%	0.673	74%	0.741	S	S	*	*			cis	-146.4	166.2	19	-78	-161.6	88.8	0	0	114.2
153	Q	28.1	Very low	29.1	Very low	147 Å²	147	130.9 Å²	130.9	69%	0.687	73%	0.729	S	S	*	*			trans	25.7	132.4	145.8	-80.4	77.2	-68.8	0	0	124
154	L	26.9	Very low	28.9	Very low	161 Å²	161	137.6 Å²	137.6	84%	0.843	74%	0.742	S	S	*	*			trans	-72.7	149.2	146	-75.8	160.3	0	0	0	112.5
155	P	29.3	Very low	28.9	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	73%	0.73	S	S	*	*			trans	-101.6	96	163.6	34.3	-27	0	0	0	113.5
156	V	25.7	Very low	29.1	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	73%	0.733	S	S	*	*			trans	39.2	132.1	133.5	-170.4	0	0	0	0	121.8
157	E	31.1	Very low	28.4	Very low	165 Å²	165	138.6 Å²	138.6	77%	0.771	73%	0.734	S	S	*	*			trans	-51.7	177.5	166.5	-66.2	-80.5	113.2	0	0	116.5
158	P	34.3	Very low	28.3	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	73%	0.729	S	S	*	*				-135.8	112.3	124.7	35.6	-24.6	0	0	0	116.3
159	H	28.6	Very low	28.4	Very low	152 Å²	152	137.4 Å²	137.4	70%	0.704	74%	0.735	S	S	*	*			trans	39.8	131.2	135.4	-73.1	-98.5	0	0	0	121.9	D161	H159-D161 IonicContact CE1-OD2 3.63Å; H159-D161 IonicContact ND1-OD2 2.71Å; H159-D161 PolarHBondContact ND1-OD2 3Å
160	S	25	Very low	29	Very low	125 Å²	125	135.4 Å²	135.4	87%	0.874	73%	0.734	S	S	*	*			trans	-139	129.6	133.1	56.5	0	0	0	0	110.8
161	D	29.1	Very low	29	Very low	125 Å²	125	135.6 Å²	135.6	67%	0.668	74%	0.738	S	S	*	*			trans	-107.4	144.3	-178.9	-83.7	-85.9	0	0	0	110.3	H159	H159-D161 IonicContact CE1-OD2 3.63Å; H159-D161 IonicContact ND1-OD2 2.71Å; H159-D161 PolarHBondContact ND1-OD2 3Å
162	L	29.4	Very low	28.9	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	74%	0.744	S	S	*	*				164.4	149.5	94.8	-158.3	70.4	0	0	0	113.6
163	A	28.5	Very low	29	Very low	69 Å²	69	133.6 Å²	133.6	57%	0.57	75%	0.75	S	S	*	*			trans	88.2	104	146.6	0	0	0	0	0	122
164	K	28.6	Very low	29	Very low	200 Å²	200	130.5 Å²	130.5	87%	0.87	75%	0.75	S	S	*	*				73.9	147.7	128.4	-63.6	172.7	-174.1	175.1	0	119.2
165	S	28.3	Very low	29.3	Very low	91 Å²	91	131 Å²	131	64%	0.636	75%	0.748	S	S	*	*			cis	-173.6	160.3	-17.4	52.3	0	0	0	0	112.1
166	Q	30	Very low	29.1	Very low	170 Å²	170	130.3 Å²	130.3	79%	0.794	74%	0.744	S	S	*	*			trans	82.3	121.9	152.9	-73.5	172.9	-34.9	0	0	122
167	D	25.1	Very low	29.3	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	75%	0.746	S	S	*	*			trans	73.4	103.7	132	-68.8	-65.8	0	0	0	125.1
168	A	26.1	Very low	29	Very low	77 Å²	77	127 Å²	127	64%	0.636	74%	0.742	S	S	*	*				81.4	107.2	109.5	0	0	0	0	0	123.7
169	Q	29.8	Very low	28.6	Very low	157 Å²	157	129.8 Å²	129.8	73%	0.734	75%	0.749	S	S	*	*				63.7	171.1	120.1	-65.1	-72	-2.7	0	0	120.2
170	P	42.5	Very low	29.7	Very low	104 Å²	104	127.8 Å²	127.8	68%	0.675	75%	0.75	S	S	*	*			cis	-132	149.2	-22.4	23.7	-1.6	0	0	0	116.7
171	I	28	Very low	29.7	Very low	135 Å²	135	127.3 Å²	127.3	69%	0.692	75%	0.747	S	S	*	*				35	120.3	129.2	-49.8	166.9	0	0	0	121.2	L173	I171-L173 HydrophobicContact CG2-CD1 4.15Å; I171-L173 HydrophobicContact CG2-CG 4.1Å
172	A	25	Very low	29.6	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	76%	0.76	S	S	*	*				-173.5	159.8	129.2	0	0	0	0	0	111.5
173	L	28.9	Very low	29.5	Very low	150 Å²	150	129.8 Å²	129.8	79%	0.785	75%	0.754	S	S	*	*				-171.8	157.2	-56.4	-115.3	174.1	0	0	0	108.7	I171	I171-L173 HydrophobicContact CG2-CD1 4.15Å; I171-L173 HydrophobicContact CG2-CG 4.1Å
174	A	29.2	Very low	30.3	Very low	83 Å²	83	132 Å²	132	69%	0.686	76%	0.762	S	S	*	*			trans	67.8	151.9	159.9	0	0	0	0	0	120
175	Q	32.3	Very low	30.1	Very low	172 Å²	172	128.4 Å²	128.4	80%	0.804	76%	0.762	S	S	*	*			cis	-173.7	172.2	-27.9	-119.5	167	10.7	0	0	111.8
176	C	25.8	Very low	30.1	Very low	106 Å²	106	132.3 Å²	132.3	72%	0.716	77%	0.771	S	S	*	*			trans	73.7	155.8	156.6	-68.4	0	0	0	0	121.2
177	L	29.6	Very low	29.9	Very low	163 Å²	163	131.9 Å²	131.9	85%	0.853	77%	0.773	S	S	*	*			cis	-169.3	129.5	-39.4	-117.5	177.2	0	0	0	112.3
178	G	24.4	Very low	29.9	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	78%	0.776	S	S	*	*			trans	49.6	117.1	144.2	0	0	0	0	0	127.5
179	L	27.5	Very low	29.9	Very low	178 Å²	178	130.5 Å²	130.5	93%	0.932	78%	0.78	S	S	*	*				86.6	158.7	127.1	-64.4	178.2	0	0	0	123.3
180	P	51.4	Low	29.6	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	79%	0.786	S	S	*	*			trans	-136.1	-175.4	-147	46.3	-30.8	0	0	0	117.8
181	S	24.4	Very low	29.5	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	78%	0.784	S	S	*	*			trans	178.7	144.3	139.7	43.2	0	0	0	0	118.5
182	R	26.3	Very low	29.3	Very low	253 Å²	253	129.8 Å²	129.8	96%	0.955	79%	0.787	S	S	*	*			trans	50.2	147.2	140.6	-143	167	-176.3	137	-0.5	123.9
183	A	27.8	Very low	29.4	Very low	85 Å²	85	130.9 Å²	130.9	70%	0.702	78%	0.778	S	S	*	*			trans	-110.6	-165.1	176.7	0	0	0	0	0	111.6
184	P	45.1	Very low	29.4	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	77%	0.774	S	S	*	*			cis	-137.9	-173.6	-5.8	44.5	-27.7	0	0	0	115
185	S	25.3	Very low	29.3	Very low	125 Å²	125	132.9 Å²	132.9	87%	0.874	77%	0.774	S	S	*	*			trans	170.6	176	139.1	-79.6	0	0	0	0	114.5
186	Q	27.8	Very low	29.2	Very low	173 Å²	173	128.6 Å²	128.6	81%	0.808	77%	0.767	S	S	*	*			trans	-104.9	-173.3	-167.5	-58.6	-176.8	-8.6	0	0	115.5
187	L	26.3	Very low	29.3	Very low	161 Å²	161	132.3 Å²	132.3	84%	0.843	77%	0.772	S	S	*	*			trans	87.4	151.7	166.4	-53.5	173	0	0	0	115.3
188	S	23.8	Very low	29.3	Very low	117 Å²	117	131.5 Å²	131.5	82%	0.818	77%	0.767	S	S	*	*			cis	179.3	139.1	-23.7	173.4	0	0	0	0	107
189	G	25.8	Very low	29.6	Very low	71 Å²	71	134.8 Å²	134.8	73%	0.732	77%	0.769	S	S	*	*			trans	125	97.3	162	0	0	0	0	0	117.3
190	D	23.8	Very low	29.5	Very low	160 Å²	160	133.3 Å²	133.3	86%	0.856	76%	0.757	S	S	*	*				-64.2	167.8	128.2	-104.3	-45.7	0	0	0	109.3
191	P	40.2	Very low	28.4	Very low	98 Å²	98	134.8 Å²	134.8	64%	0.636	75%	0.754	S	S	*	*			cis	-142.9	-167.2	20	35.1	-11.1	0	0	0	115.5
192	V	24.5	Very low	28.5	Very low	124 Å²	124	137.2 Å²	137.2	75%	0.752	75%	0.753	S	S	*	*			trans	63.4	136.9	133.8	149.5	0	0	0	0	118.7
193	L	26.6	Very low	28.5	Very low	122 Å²	122	131.7 Å²	131.7	64%	0.639	74%	0.743	S	S	*	*			cis	-167.7	174.6	-5.6	-121.5	173	0	0	0	108.5
194	Q	29	Very low	28.5	Very low	150 Å²	150	132.7 Å²	132.7	70%	0.701	74%	0.74	S	S	*	*			trans	64.7	145.2	149.5	-87.7	137.4	5.6	0	0	119.4
195	D	27	Very low	27.9	Very low	126 Å²	126	138.8 Å²	138.8	67%	0.674	75%	0.748	S	S	*	*			cis	-166.5	175.8	-21	-139.9	-49.7	0	0	0	109.4
196	A	30.2	Very low	27.9	Very low	81 Å²	81	138.7 Å²	138.7	67%	0.669	74%	0.738	S	S	*	*			trans	65.2	140.9	149.5	0	0	0	0	0	120.4
197	F	29.6	Very low	28	Very low	184 Å²	184	137.4 Å²	137.4	81%	0.807	74%	0.741	S	S	*	*			cis	-161.8	-173	-17.9	-133.5	-87.3	0	0	0	108.6
198	L	28.6	Very low	28.3	Very low	146 Å²	146	137.6 Å²	137.6	76%	0.764	74%	0.738	S	S	*	*			trans	80.9	129.5	-179.7	-48.7	-177.7	0	0	0	112.8
199	L	29.8	Very low	28.5	Very low	135 Å²	135	141.4 Å²	141.4	71%	0.707	74%	0.743	S	S	*	*			cis	-158.7	165.7	0.1	-105	168.3	0	0	0	106.7
200	Q	26.6	Very low	28.6	Very low	148 Å²	148	143.8 Å²	143.8	69%	0.692	74%	0.743	S	S	*	*			cis	-148.8	-178.7	9.8	-167.8	146.9	1.3	0	0	111.8
201	E	27.7	Very low	28.8	Very low	142 Å²	142	141.5 Å²	141.5	66%	0.664	74%	0.735	S	S	*	*			trans	-49.3	158.5	165.9	-65.5	139.4	148.5	0	0	115.1
202	E	27.3	Very low	28.7	Very low	166 Å²	166	143.4 Å²	143.4	78%	0.776	75%	0.745	S	S	*	*			cis	-150.3	140.1	-8.1	-110.3	177.5	126.1	0	0	106.6
203	N	25.4	Very low	28.8	Very low	137 Å²	137	144.5 Å²	144.5	73%	0.733	75%	0.746	S	S	*	*				69.6	139.4	50.1	-136.7	9.2	0	0	0	112.5
204	V	28.2	Very low	29	Very low	106 Å²	106	147.2 Å²	147.2	64%	0.642	76%	0.755	S	S	*	*			cis	-140.6	158.6	3.4	-155.8	0	0	0	0	108.4
205	R	32.3	Very low	28.9	Very low	242 Å²	242	148 Å²	148	91%	0.913	76%	0.763	S	S	*	*			trans	171.8	65	130.2	-85.2	-95.9	-168.8	172	6.6	111.9
206	D	26	Very low	29	Very low	124 Å²	124	147 Å²	147	66%	0.663	76%	0.764	S	S	*	*			trans	-63.1	153.2	160	-77.5	-85.7	0	0	0	112.3
207	T	29.4	Very low	29.4	Very low	145 Å²	145	149 Å²	149	89%	0.89	77%	0.77	S	S	*	*				-162.9	124.5	115.7	6.4	0	0	0	0	110.8
208	Q	32.6	Very low	29.4	Very low	165 Å²	165	146.9 Å²	146.9	77%	0.771	77%	0.767	S	S	*	*			trans	-73.6	148.1	174.4	-61.6	174	-2.9	0	0	111
209	Q	28.2	Very low	29.4	Very low	197 Å²	197	152 Å²	152	92%	0.921	78%	0.777	S	S	*	*			trans	-150.2	143.5	134	-123.8	162.7	107.8	0	0	112.7
210	V	28.4	Very low	29.5	Very low	121 Å²	121	151.1 Å²	151.1	73%	0.733	78%	0.776	S	S	*	*			trans	-74.4	131.9	-171.3	175.4	0	0	0	0	111.7
211	T	26.7	Very low	29.7	Very low	112 Å²	112	148 Å²	148	69%	0.687	77%	0.77	S	S	*	*			trans	-148.7	105	147.1	-33.4	0	0	0	0	111.8	L213	T211-L213 VanDerWaalsContact C-N 3.26Å; T211-L213 HydrophobicContact CG2-CD1 3.93Å; T211-L213 HydrophobicContact CG2-CG 3.76Å; T211-L213 PolarHBondContact O-N 2.79Å
212	T	39.2	Very low	30.2	Very low	139 Å²	139	146.8 Å²	146.8	85%	0.853	78%	0.775	S	S	*	*			trans	-74.4	80.3	167.3	-49.7	0	0	0	0	109.3
213	L	26.7	Very low	30.4	Very low	146 Å²	146	146.6 Å²	146.6	76%	0.764	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-87.9	129.6	177	-95.2	166.5	0	0	0	111.7	T211	T211-L213 VanDerWaalsContact C-N 3.26Å; T211-L213 HydrophobicContact CG2-CD1 3.93Å; T211-L213 HydrophobicContact CG2-CG 3.76Å; T211-L213 PolarHBondContact O-N 2.79Å
214	Q	29.9	Very low	30.7	Very low	180 Å²	180	146.7 Å²	146.7	84%	0.841	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.2	177	-63.5	168.9	-25.2	0	0	110.5
215	L	27.7	Very low	31.2	Very low	165 Å²	165	149.7 Å²	149.7	86%	0.864	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.3	128.3	162.4	-127.9	73.3	0	0	0	108.6
216	P	29.5	Very low	31	Very low	107 Å²	107	144.6 Å²	144.6	70%	0.695	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-74.6	130.3	-174.8	27.8	-34	0	0	0	111.9	N218	P216-N218 VanDerWaalsContact C-N 3.32Å; P216-N218 PolarHBondContact O-N 3.05Å
217	P	37.8	Very low	31.6	Very low	123 Å²	123	146 Å²	146	80%	0.799	77%	0.773	S	S	*	*			trans	-80.3	78.3	174.3	33.2	-34.2	0	0	0	110.4
218	N	30.3	Very low	31.8	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	76%	0.758	S	S	*	*			trans	-159.1	106	167	-103.9	-42.9	0	0	0	111.8	P216	P216-N218 VanDerWaalsContact C-N 3.32Å; P216-N218 PolarHBondContact O-N 3.05Å
219	R	27.6	Very low	32.1	Very low	255 Å²	255	142 Å²	142	96%	0.962	76%	0.758	S	S	*	*			trans	-111.4	93	152.7	-83.9	-166.4	171.5	-160.9	-2.5	108.1
220	V	32	Very low	32.6	Very low	116 Å²	116	136.9 Å²	136.9	70%	0.703	73%	0.733	S	S	*	*			trans	-63.9	139.9	168.2	-179.2	0	0	0	0	108.3
221	S	30.7	Very low	33.5	Very low	81 Å²	81	133.4 Å²	133.4	57%	0.566	71%	0.714	S	S	*	*			trans	-65.8	132.8	176.2	-178.5	0	0	0	0	110.6	F223	S221-F223 PolarHBondContact O-N 3.09Å
222	P	38.9	Very low	34.4	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	19.5	-170.3	33.1	-37.5	0	0	0	115
223	F	30.3	Very low	34.6	Very low	163 Å²	163	137.1 Å²	137.1	72%	0.715	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	8	-169	-75.3	-70.8	0	0	0	115.6	S221	S221-F223 PolarHBondContact O-N 3.09Å
224	K	32.6	Very low	35.5	Very low	139 Å²	139	133.6 Å²	133.6	60%	0.604	70%	0.696	S	S	*	*	S	Bend	trans	-88.4	-6.6	-171.9	-156.1	133.7	-168.8	155.2	0	116	E458	K224-E458 IonicContact NZ-OE1 2.64Å; K224-E458 PolarHBondContact NZ-OE1 3.2Å; K224-E458 IonicContact NZ-OE2 2.82Å; K224-E458 PolarHBondContact NZ-OE2 3.41Å
225	D	38.9	Very low	36.6	Very low	169 Å²	169	130.2 Å²	130.2	90%	0.904	68%	0.675	S	S	*	*	S	Bend	trans	-123.9	42.8	-176.4	-63.9	-59.6	0	0	0	113.3
226	M	28.4	Very low	37.8	Very low	134 Å²	134	127.1 Å²	127.1	66%	0.66	67%	0.667	S	S	*	*			trans	-118.3	58.6	178.1	-154.2	-178.8	83.5	0	0	113.2	L228	M226-L228 HydrophobicContact CE-CD1 4.25Å; M226-L228 HydrophobicContact CE-CG 4.42Å; M226-L228 HydrophobicContact CG-CD2 4.07Å; M226-L228 HydrophobicContact CG-CG 4.23Å; M226-L228 PolarHBondContact O-N 3.37Å
227	I	37	Very low	38.8	Very low	155 Å²	155	129 Å²	129	80%	0.795	67%	0.671	S	S	*	*			trans	-77.9	104.8	159.5	-60.7	178.5	0	0	0	107	C229	I227-C229 PolarHBondContact O-N 2.93Å; I227-C229 VanDerWaalsContact O-N 3.13Å
228	L	35.1	Very low	39.3	Very low	110 Å²	110	125.2 Å²	125.2	58%	0.576	64%	0.644	S	S	*	*			trans	-77.3	94.2	173.8	-66.1	177.8	0	0	0	109.7	M226 F230	M226-L228 HydrophobicContact CE-CD1 4.25Å; M226-L228 HydrophobicContact CE-CG 4.42Å; M226-L228 HydrophobicContact CG-CD2 4.07Å; M226-L228 HydrophobicContact CG-CG 4.23Å; M226-L228 PolarHBondContact O-N 3.37Å; L228-F230 HydrophobicContact CB-CD2 4.2Å; L228-F230 HydrophobicContact CB-CE2 3.88Å; L228-F230 HydrophobicContact CD1-CE2 4.36Å; L228-F230 HydrophobicContact CD1-CZ 4.43Å; L228-F230 WeakPolarHBondContact O-CD2 3.43Å; L228-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact O-N 3.09Å
229	C	38.3	Very low	40.2	Very low	116 Å²	116	122.8 Å²	122.8	78%	0.784	63%	0.631	S	S	*	*			trans	-73.4	91.3	163.2	-63.2	0	0	0	0	108.8	I227	I227-C229 PolarHBondContact O-N 2.93Å; I227-C229 VanDerWaalsContact O-N 3.13Å
230	F	38.3	Very low	41.2	Very low	89 Å²	89	115.9 Å²	115.9	39%	0.39	62%	0.619	S	S	.	*			trans	-59.8	132.4	168	-72.5	-96.8	0	0	0	109.8	L228 D234	L228-F230 HydrophobicContact CB-CD2 4.2Å; L228-F230 HydrophobicContact CB-CE2 3.88Å; L228-F230 HydrophobicContact CD1-CE2 4.36Å; L228-F230 HydrophobicContact CD1-CZ 4.43Å; L228-F230 WeakPolarHBondContact O-CD2 3.43Å; L228-F230 PolarHBondContact O-N 3.12Å; L228-F230 VanDerWaalsContact O-N 3.09Å; F230-D234 HydrophobicContact CB-CB 4.31Å; F230-D234 HydrophobicContact CD1-CB 3.84Å
231	S	47.5	Very low	42.1	Very low	48 Å²	48	114.1 Å²	114.1	34%	0.336	62%	0.616	S	S	.	*			trans	-75.9	163.1	168.3	71.7	0	0	0	0	110.8	E233 D234 W235	S231-E233 PolarHBondContact O-N 3.42Å; S231-D234 VanDerWaalsContact CB-OD2 3.29Å; S231-D234 WeakPolarHBondContact CB-OD2 3.38Å; S231-D234 PolarHBondContact N-OD2 3.3Å; S231-D234 PolarHBondContact O-N 3.46Å; S231-D234 PolarHBondContact OG-N 3.38Å; S231-D234 PolarHBondContact OG-OD2 3.46Å; S231-W235 VanDerWaalsContact O-CD1 3.24Å; S231-W235 PolarHBondContact O-N 3.49Å; S231-W235 VanDerWaalsContact O-N 3.11Å
232	E	44.8	Very low	42.9	Very low	173 Å²	173	115.1 Å²	115.1	81%	0.808	61%	0.612	S	S	*	*	H	α-helix	trans	-59.3	-29.1	174.8	-166.8	171.3	176.7	0	0	112.1	S236	E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 3.25Å
233	E	44.3	Very low	43.7	Very low	156 Å²	156	111.9 Å²	111.9	73%	0.729	59%	0.591	S	S	*	*	H	α-helix	trans	-69.3	-41	173	-60.3	173	-145.5	0	0	111.5	S231 S236	S231-E233 PolarHBondContact O-N 3.42Å; E233-S236 WeakPolarHBondContact O-CB 3.41Å; E233-S236 PolarHBondContact O-N 3.48Å
234	D	45.8	Very low	44.4	Very low	72 Å²	72	106.3 Å²	106.3	39%	0.385	58%	0.579	S	S	.	*	H	α-helix	trans	-68.6	-38.5	178.3	-58.9	-64	0	0	0	112.5	F230 S231 S236 L237	F230-D234 HydrophobicContact CB-CB 4.31Å; F230-D234 HydrophobicContact CD1-CB 3.84Å; S231-D234 VanDerWaalsContact CB-OD2 3.29Å; S231-D234 WeakPolarHBondContact CB-OD2 3.38Å; S231-D234 PolarHBondContact N-OD2 3.3Å; S231-D234 PolarHBondContact O-N 3.46Å; S231-D234 PolarHBondContact OG-N 3.38Å; S231-D234 PolarHBondContact OG-OD2 3.46Å; D234-S236 PolarHBondContact O-N 3.44Å; D234-L237 PolarHBondContact O-N 3.5Å; D234-L237 VanDerWaalsContact O-N 3.12Å
235	W	52.9	Low	44.9	Very low	108 Å²	108	107.2 Å²	107.2	41%	0.409	58%	0.583	S	S	.	*	H	α-helix	trans	-58.7	-34.3	174.8	-80.9	104.4	0	0	0	112.3	S231 L237 L238	S231-W235 VanDerWaalsContact O-CD1 3.24Å; S231-W235 PolarHBondContact O-N 3.49Å; S231-W235 VanDerWaalsContact O-N 3.11Å; W235-L237 PolarHBondContact O-N 3.21Å; W235-L238 HydrophobicContact CE3-CD1 3.94Å; W235-L238 HydrophobicContact CZ3-CD1 4.27Å; W235-L238 PolarHBondContact O-N 3.37Å
236	S	53	Low	45.1	Very low	100 Å²	100	104.9 Å²	104.9	70%	0.699	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-6.3	180	-58	0	0	0	0	113.9	E232 E233 D234	E232-S236 PolarHBondContact O-N 3.38Å; E232-S236 PolarHBondContact O-OG 3.25Å; E233-S236 WeakPolarHBondContact O-CB 3.41Å; E233-S236 PolarHBondContact O-N 3.48Å; D234-S236 PolarHBondContact O-N 3.44Å
237	L	51	Low	45.8	Very low	146 Å²	146	100.1 Å²	100.1	76%	0.764	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-1.6	-179.4	-63.1	173.6	0	0	0	113.7	D234 W235	D234-L237 PolarHBondContact O-N 3.5Å; D234-L237 VanDerWaalsContact O-N 3.12Å; W235-L237 PolarHBondContact O-N 3.21Å
238	L	48.6	Very low	46.2	Very low	44 Å²	44	101.6 Å²	101.6	23%	0.23	55%	0.551	C	S	.	*	S	Bend	trans	-83.4	144.9	179.5	-66.3	175.9	0	0	0	112.3	W235 T243	W235-L238 HydrophobicContact CE3-CD1 3.94Å; W235-L238 HydrophobicContact CZ3-CD1 4.27Å; W235-L238 PolarHBondContact O-N 3.37Å; L238-T243 HydrophobicContact CB-CG2 3.64Å; L238-T243 HydrophobicContact CD1-CG2 4.28Å
239	D	47.8	Very low	46.4	Very low	88 Å²	88	105.1 Å²	105.1	47%	0.471	56%	0.562	S	S	.	*			trans	-61.7	135.9	171.3	-174.5	-39.2	0	0	0	109.9	A241 Q242 T243	D239-A241 PolarHBondContact O-N 3.17Å; D239-A241 WeakPolarHBondContact OD1-CB 3.43Å; D239-A241 PolarHBondContact OD1-N 3.19Å; D239-Q242 HydrophobicContact CB-CB 4.41Å; D239-Q242 HydrophobicContact CB-CG 4.09Å; D239-Q242 WeakPolarHBondContact O-CA 3.23Å; D239-Q242 WeakPolarHBondContact O-CB 3.27Å; D239-Q242 PolarHBondContact O-N 3.01Å; D239-T243 PolarHBondContact O-N 2.84Å; D239-T243 VanDerWaalsContact O-N 3.09Å
240	P	49.9	Very low	46.6	Very low	110 Å²	110	105.9 Å²	105.9	71%	0.714	56%	0.557	S	S	*	*	H	α-helix	trans	-50.8	-26	173.2	-30.1	36.9	0	0	0	115.6	T243	P240-T243 PolarHBondContact O-OG1 3.01Å
241	A	50.1	Low	46.5	Very low	78 Å²	78	108.2 Å²	108.2	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-73.4	-25.2	172.7	0	0	0	0	0	113.4	D239	D239-A241 PolarHBondContact O-N 3.17Å; D239-A241 WeakPolarHBondContact OD1-CB 3.43Å; D239-A241 PolarHBondContact OD1-N 3.19Å
242	Q	46.8	Very low	45.7	Very low	102 Å²	102	108.8 Å²	108.8	48%	0.477	59%	0.585	S	S	.	*	H	α-helix	trans	-88.1	-37.3	178.5	-65.9	178.1	-0.2	0	0	112	D239 G244 F245 Y246	D239-Q242 HydrophobicContact CB-CB 4.41Å; D239-Q242 HydrophobicContact CB-CG 4.09Å; D239-Q242 WeakPolarHBondContact O-CA 3.23Å; D239-Q242 WeakPolarHBondContact O-CB 3.27Å; D239-Q242 PolarHBondContact O-N 3.01Å; Q242-G244 VanDerWaalsContact C-N 3.29Å; Q242-G244 PolarHBondContact O-N 2.95Å; Q242-F245 PolarHBondContact O-N 3.24Å; Q242-F245 VanDerWaalsContact O-N 3.12Å; Q242-Y246 WeakPolarHBondContact O-CD2 3.47Å; Q242-Y246 PolarHBondContact O-N 2.91Å
243	T	55.8	Low	45.5	Very low	50 Å²	50	109.1 Å²	109.1	31%	0.307	59%	0.587	S	S	.	*	H	α-helix	trans	-62	-37	177	55.6	0	0	0	0	111.9	L238 D239 P240 F245 Y246 G247	L238-T243 HydrophobicContact CB-CG2 3.64Å; L238-T243 HydrophobicContact CD1-CG2 4.28Å; D239-T243 PolarHBondContact O-N 2.84Å; D239-T243 VanDerWaalsContact O-N 3.09Å; P240-T243 PolarHBondContact O-OG1 3.01Å; T243-F245 VanDerWaalsContact C-N 3.33Å; T243-F245 PolarHBondContact O-N 2.9Å; T243-Y246 PolarHBondContact O-N 2.87Å; T243-G247 PolarHBondContact O-N 3.47Å
244	G	46.8	Very low	45.3	Very low	46 Å²	46	109.7 Å²	109.7	47%	0.474	60%	0.595	S	S	.	*	H	α-helix	trans	-59.6	-38.2	172.5	0	0	0	0	0	113.9	Q242 Y246 G247	Q242-G244 VanDerWaalsContact C-N 3.29Å; Q242-G244 PolarHBondContact O-N 2.95Å; G244-Y246 PolarHBondContact O-N 2.72Å; G244-G247 PolarHBondContact O-N 3.04Å
245	F	42.5	Very low	44.5	Very low	158 Å²	158	111.8 Å²	111.8	69%	0.693	61%	0.614	S	S	*	*	H	α-helix	trans	-70.2	-29.9	-178.7	-166.5	-93.8	0	0	0	113.2	Q242 T243	Q242-F245 PolarHBondContact O-N 3.24Å; Q242-F245 VanDerWaalsContact O-N 3.12Å; T243-F245 VanDerWaalsContact C-N 3.33Å; T243-F245 PolarHBondContact O-N 2.9Å
246	Y	41.8	Very low	43.9	Very low	120 Å²	120	110.4 Å²	110.4	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-92.5	-22.7	176.4	-69.1	-71.3	0	0	0	113.5	Q242 T243 G244 E248 F249 I250	Q242-Y246 WeakPolarHBondContact O-CD2 3.47Å; Q242-Y246 PolarHBondContact O-N 2.91Å; T243-Y246 PolarHBondContact O-N 2.87Å; G244-Y246 PolarHBondContact O-N 2.72Å; Y246-E248 PolarHBondContact O-N 3.17Å; Y246-F249 PolarHBondContact O-N 2.99Å; Y246-I250 PolarHBondContact O-N 3.14Å
247	G	43.7	Very low	42.7	Very low	33 Å²	33	111.7 Å²	111.7	34%	0.34	64%	0.637	S	S	.	*	H	α-helix	trans	-62.1	-38.3	179.1	0	0	0	0	0	114.2	T243 G244 F249	T243-G247 PolarHBondContact O-N 3.47Å; G244-G247 PolarHBondContact O-N 3.04Å; G247-F249 VanDerWaalsContact C-N 3.31Å; G247-F249 PolarHBondContact O-N 3.42Å
248	E	45.8	Very low	41.6	Very low	186 Å²	186	110.2 Å²	110.2	87%	0.869	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-17.1	179.3	-65.9	-164.9	142.3	0	0	114	Y246	Y246-E248 PolarHBondContact O-N 3.17Å
249	F	38.6	Very low	40.8	Very low	184 Å²	184	115.5 Å²	115.5	81%	0.807	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-11.1	-174.2	-110.9	-86.9	0	0	0	115.2	Y246 G247	Y246-F249 PolarHBondContact O-N 2.99Å; G247-F249 VanDerWaalsContact C-N 3.31Å; G247-F249 PolarHBondContact O-N 3.42Å
250	I	43.3	Very low	39.9	Very low	133 Å²	133	116.4 Å²	116.4	68%	0.682	68%	0.676	S	S	*	*	S	Bend	trans	-136.4	49.1	-179.7	-37.9	-178.5	0	0	0	112.1	Y246	Y246-I250 PolarHBondContact O-N 3.14Å
251	I	36.2	Very low	39	Very low	138 Å²	138	117 Å²	117	71%	0.708	68%	0.68	S	S	*	*			trans	-120.3	80.5	157.3	-55.9	178.4	0	0	0	108.5
252	G	30.7	Very low	38	Very low	59 Å²	59	120.2 Å²	120.2	61%	0.608	69%	0.686	S	S	*	*			trans	-81.7	110.5	158.3	0	0	0	0	0	108.7
253	E	40.7	Very low	37.1	Very low	181 Å²	181	124.2 Å²	124.2	85%	0.846	71%	0.705	S	S	*	*	S	Bend	trans	-56.7	161.5	165.7	-61.7	-179.3	123.9	0	0	110.3
254	D	38.8	Very low	35.9	Very low	168 Å²	168	129.4 Å²	129.4	90%	0.898	73%	0.73	S	S	*	*			trans	72.7	24.7	-174	-65.3	-18.2	0	0	0	118.1	G256	D254-G256 VanDerWaalsContact C-N 3.3Å; D254-G256 PolarHBondContact O-N 3.32Å; D254-G256 VanDerWaalsContact O-N 3.13Å
255	C	30.8	Very low	34.9	Very low	115 Å²	115	132 Å²	132	78%	0.777	75%	0.748	S	S	*	*			trans	-78.8	79.6	152.4	-76.3	0	0	0	0	110.8	V257	C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.11Å
256	G	38.4	Very low	34.4	Very low	80 Å²	80	129 Å²	129	83%	0.825	75%	0.751	S	S	*	*			trans	-67.7	74.4	-174.6	0	0	0	0	0	115.7	D254	D254-G256 VanDerWaalsContact C-N 3.3Å; D254-G256 PolarHBondContact O-N 3.32Å; D254-G256 VanDerWaalsContact O-N 3.13Å
257	V	28.7	Very low	33.9	Very low	126 Å²	126	131.9 Å²	131.9	76%	0.764	77%	0.769	S	S	*	*			trans	-98.3	117.4	169.6	-179.2	0	0	0	0	109.3	C255 I259	C255-V257 VanDerWaalsContact C-N 3.33Å; C255-V257 PolarHBondContact O-N 3.11Å; V257-I259 PolarHBondContact O-N 3.41Å
258	S	28.3	Very low	33.3	Very low	116 Å²	116	135.7 Å²	135.7	81%	0.811	79%	0.788	S	S	*	*			trans	-67.7	114	177.9	-58.4	0	0	0	0	111.4	P260	S258-P260 WeakPolarHBondContact O-CD 3.3Å
259	I	30.6	Very low	32.3	Very low	155 Å²	155	134.2 Å²	134.2	80%	0.795	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.4	119.9	173.5	-62.3	167.3	0	0	0	109.3	V257	V257-I259 PolarHBondContact O-N 3.41Å
260	P	29.8	Very low	31.7	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.1	141	161.9	31.5	-32.4	0	0	0	109.1	S258	S258-P260 WeakPolarHBondContact O-CD 3.3Å
261	P	31.5	Very low	30.9	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.7	140.4	-175.5	25.8	-34	0	0	0	112.2	E263	P261-E263 PolarHBondContact O-N 3.11Å
262	N	29.4	Very low	30.6	Very low	144 Å²	144	135 Å²	135	77%	0.77	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.2	119	-179.5	-180	11.5	0	0	0	112.3
263	E	26.4	Very low	30.4	Very low	186 Å²	186	141.5 Å²	141.5	87%	0.869	81%	0.811	S	S	*	*			trans	-109.7	137.1	160.9	-77	-159.5	118.4	0	0	110.5	P261 A265	P261-E263 PolarHBondContact O-N 3.11Å; E263-A265 PolarHBondContact O-N 2.81Å
264	L	32	Very low	29.9	Very low	159 Å²	159	138.8 Å²	138.8	83%	0.832	80%	0.798	S	S	*	*			trans	-69.7	120.1	-175.2	-82.8	66	0	0	0	111.9	A266	L264-A266 PolarHBondContact O-N 3.01Å
265	A	25.2	Very low	29.3	Very low	102 Å²	102	138.4 Å²	138.4	84%	0.843	79%	0.791	S	S	*	*			trans	-87.5	96.4	159.6	0	0	0	0	0	110.3	E263	E263-A265 PolarHBondContact O-N 2.81Å
266	A	32.6	Very low	29.1	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72	143.5	163.2	0	0	0	0	0	110.1	L264	L264-A266 PolarHBondContact O-N 3.01Å
267	Q	31.6	Very low	28.5	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.7	136.5	-176.6	-69	-72.8	-18.3	0	0	112.6
268	P	29.8	Very low	29.1	Very low	113 Å²	113	142.5 Å²	142.5	73%	0.734	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-96.1	124.4	166.6	34.4	-28.1	0	0	0	111.8
269	D	24.1	Very low	29.1	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	78%	0.783	S	S	*	*			trans	-142.7	162.1	148.6	-156.2	-0.3	0	0	0	110.1
270	L	27.5	Very low	28.8	Very low	161 Å²	161	146.8 Å²	146.8	84%	0.843	78%	0.784	S	S	*	*			trans	-103.6	137.3	-144.8	-63.6	162.9	0	0	0	113.8
271	S	26.7	Very low	29.4	Very low	124 Å²	124	146.5 Å²	146.5	87%	0.867	78%	0.782	S	S	*	*			trans	-145.1	152.5	144.9	58	0	0	0	0	111.8
272	Q	28.7	Very low	29.3	Very low	186 Å²	186	148.5 Å²	148.5	87%	0.869	78%	0.78	S	S	*	*			trans	-75.5	155.5	-167.1	-57.6	156.4	3.6	0	0	111.7
273	R	27	Very low	29.8	Very low	196 Å²	196	145.9 Å²	145.9	74%	0.74	77%	0.771	S	S	*	*				157.7	135.7	102.1	-170.5	162.2	-176.2	-129	-19.6	114.4
274	E	29.3	Very low	29.7	Very low	124 Å²	124	144.9 Å²	144.9	58%	0.579	77%	0.766	S	S	*	*			trans	54.3	113.6	155.3	-72.1	154.7	-162.1	0	0	122.8
275	E	27	Very low	29.5	Very low	159 Å²	159	144 Å²	144	74%	0.743	76%	0.763	S	S	*	*				83	132.9	124.2	-70.7	-165.5	83.2	0	0	125
276	N	27	Very low	29.7	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	76%	0.764	S	S	*	*			trans	77.8	114.6	151.4	-66.1	-50.9	0	0	0	123
277	E	25.8	Very low	29.3	Very low	178 Å²	178	151.7 Å²	151.7	83%	0.832	77%	0.77	S	S	*	*			trans	-69.1	-179.7	154.1	-108	-156.8	117.9	0	0	112.4
278	P	42	Very low	29.1	Very low	85 Å²	85	146.9 Å²	146.9	55%	0.552	77%	0.769	S	S	*	*			cis	-141.1	-171.1	-26.9	32.6	-11.2	0	0	0	115.4
279	R	28.2	Very low	29	Very low	228 Å²	228	150.9 Å²	150.9	86%	0.86	78%	0.775	S	S	*	*			trans	84.7	129.5	163.6	-53.9	178.4	-175.6	-178.1	1.6	116.8
280	V	23.7	Very low	29	Very low	134 Å²	134	152.2 Å²	152.2	81%	0.812	78%	0.776	S	S	*	*			cis	75	126.8	26.2	-171.8	0	0	0	0	113.8
281	P	41.2	Very low	29.1	Very low	100 Å²	100	150.5 Å²	150.5	65%	0.649	77%	0.772	S	S	*	*			cis	-138.6	-164.9	-14.5	41.6	-22.3	0	0	0	115.6
282	E	29.4	Very low	29.5	Very low	165 Å²	165	150.3 Å²	150.3	77%	0.771	77%	0.768	S	S	*	*			trans	74.6	162.9	149	-79.1	-161.5	92	0	0	120.5
283	P	41.2	Very low	29.6	Very low	89 Å²	89	149.5 Å²	149.5	58%	0.578	76%	0.764	S	S	*	*				-144.7	-173.8	-57.5	43	-24.6	0	0	0	115.4
284	Q	24.8	Very low	29.5	Very low	165 Å²	165	145.8 Å²	145.8	77%	0.771	76%	0.763	S	S	*	*			trans	73.6	127	149.1	-80	165.3	69.6	0	0	122.3
285	D	27.5	Very low	29.3	Very low	141 Å²	141	145 Å²	145	75%	0.754	77%	0.771	S	S	*	*			trans	5.6	139.8	148.6	-61.5	-101.5	0	0	0	122.1
286	L	28.2	Very low	29.3	Very low	167 Å²	167	147.1 Å²	147.1	87%	0.874	77%	0.774	S	S	*	*				-164	165.9	104.3	-105.9	168.8	0	0	0	114.3
287	Q	25.5	Very low	29.6	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	77%	0.766	S	S	*	*			trans	-82.2	147.5	-176.2	-57	167.5	13.1	0	0	112.3
288	G	26.1	Very low	29.5	Very low	81 Å²	81	144 Å²	144	84%	0.835	76%	0.762	S	S	*	*			trans	-166.8	115.4	171	0	0	0	0	0	113.5
289	K	27.6	Very low	29	Very low	196 Å²	196	144.9 Å²	144.9	85%	0.852	77%	0.77	S	S	*	*			trans	-88.2	151.9	172.5	-53.9	169	-178	172.5	0	109.8
290	E	24.1	Very low	29.6	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	77%	0.765	S	S	*	*				175.6	174.1	95.1	-82.1	-153.6	153.7	0	0	111.4
291	V	29.6	Very low	29.8	Very low	125 Å²	125	138.1 Å²	138.1	76%	0.758	76%	0.761	S	S	*	*			trans	-142	144.9	-166.7	174.8	0	0	0	0	110.4
292	P	36.7	Very low	29.1	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	77%	0.771	S	S	*	*			trans	-123.8	121.8	136.6	3.8	18	0	0	0	110.8
293	Q	29.4	Very low	29.1	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.794	77%	0.774	S	S	*	*				76	135.9	81.2	-79.1	-155.4	29.6	0	0	114.3
294	V	25.7	Very low	29.1	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.715	78%	0.779	S	S	*	*			cis	-164.1	175.5	-8.8	100.4	0	0	0	0	111.1
295	S	24.3	Very low	29.1	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	78%	0.776	S	S	*	*			trans	94.4	137.9	161.2	78.3	0	0	0	0	118.7
296	Y	28.4	Very low	29.1	Very low	205 Å²	205	142.7 Å²	142.7	80%	0.804	77%	0.772	S	S	*	*			cis	-155.5	176.7	-27.5	-155.8	-110.1	0	0	0	111.1
297	L	32.9	Very low	29	Very low	117 Å²	117	141 Å²	141	61%	0.613	77%	0.768	S	S	*	*			trans	-66.2	176.1	-172.7	-44.5	175	0	0	0	114.5
298	D	24	Very low	29.1	Very low	140 Å²	140	139 Å²	139	75%	0.749	76%	0.759	S	S	*	*			cis	-159	-178	13	-142.7	-34.6	0	0	0	113.5
299	S	31.2	Very low	29.3	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	75%	0.748	S	S	*	*			trans	-102.7	-161.7	167.3	-60.9	0	0	0	0	110.1
300	P	39.9	Very low	29.4	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	74%	0.743	S	S	*	*			cis	-140.5	-179.9	-4.5	44.5	-26	0	0	0	117.4
301	S	27.4	Very low	29.9	Very low	103 Å²	103	143.2 Å²	143.2	72%	0.72	74%	0.742	S	S	*	*			trans	37.4	128.2	143.5	-162	0	0	0	0	122.8
302	L	27.2	Very low	29.8	Very low	166 Å²	166	147.7 Å²	147.7	87%	0.869	75%	0.752	S	S	*	*				173.2	164.1	116	-89.9	169.7	0	0	0	112.4
303	Q	30.1	Very low	29.5	Very low	179 Å²	179	150.5 Å²	150.5	84%	0.836	75%	0.747	S	S	*	*			trans	-102.3	-173.4	170.7	-60.5	-163.6	-6	0	0	110.3
304	P	41	Very low	29.3	Very low	103 Å²	103	151.9 Å²	151.9	67%	0.669	75%	0.753	S	S	*	*			cis	-144.5	-166.7	4.2	39.9	-16.6	0	0	0	117.5
305	F	24.2	Very low	29.7	Very low	165 Å²	165	152.6 Å²	152.6	72%	0.724	75%	0.748	S	S	*	*			trans	92.9	117.3	142.9	-122.2	-111.9	0	0	0	123.3
306	Q	27	Very low	30	Very low	143 Å²	143	154.5 Å²	154.5	67%	0.668	75%	0.75	S	S	*	*			trans	35.2	146.3	142.9	-59.4	-172.8	-7.9	0	0	124.6
307	V	26	Very low	29.9	Very low	131 Å²	131	152.9 Å²	152.9	79%	0.794	75%	0.75	S	S	*	*				172.6	151.1	112.7	154.2	0	0	0	0	113.9
308	E	28.4	Very low	29.9	Very low	149 Å²	149	153.7 Å²	153.7	70%	0.696	76%	0.759	S	S	*	*			trans	-31.5	161	179.5	-95.1	66.3	-162.9	0	0	126
309	E	29.4	Very low	30.7	Very low	128 Å²	128	153 Å²	153	60%	0.598	76%	0.762	S	S	*	*			trans	68.1	161.4	149.8	-76.4	-155.5	98.6	0	0	118.9
310	R	30.2	Very low	30.5	Very low	198 Å²	198	151.2 Å²	151.2	75%	0.747	76%	0.759	S	S	*	*			cis	-153.2	158.9	17.7	-153.4	157.1	-127.3	-178	13.7	116.1
311	R	35.1	Very low	30	Very low	223 Å²	223	155.6 Å²	155.6	84%	0.842	77%	0.767	S	S	*	*			trans	-34.8	155.9	170	-56.1	168.7	172.7	172.1	-3.9	119.2
312	K	27.5	Very low	30	Very low	219 Å²	219	160.3 Å²	160.3	95%	0.952	78%	0.778	S	S	*	*				-152.6	167	127.8	-120.8	178.8	-177.6	-174.9	0	113.6
313	R	30.1	Very low	29.9	Very low	179 Å²	179	156.8 Å²	156.8	68%	0.675	77%	0.772	S	S	*	*			trans	-150	144.2	-171.5	173	-172.9	-172.4	-98.4	2.7	109.8	E315	R313-E315 IonicContact CZ-OE1 3.25Å; R313-E315 IonicContact CZ-OE2 3.42Å; R313-E315 IonicContact NH1-OE1 3.43Å; R313-E315 PolarHBondContact NH1-OE1 3.33Å; R313-E315 IonicContact NH1-OE2 3.58Å; R313-E315 PolarHBondContact NH1-OE2 3.42Å; R313-E315 VanDerWaalsContact NH2-CD 3.29Å; R313-E315 IonicContact NH2-OE1 2.68Å; R313-E315 PolarHBondContact NH2-OE1 2.93Å; R313-E315 IonicContact NH2-OE2 3.32Å
314	E	26.2	Very low	29.7	Very low	198 Å²	198	154.1 Å²	154.1	93%	0.925	77%	0.772	S	S	*	*			trans	-134.9	172.9	163.1	-68.3	-169	113.1	0	0	110.9
315	E	32.7	Very low	30	Very low	133 Å²	133	155.3 Å²	155.3	62%	0.621	78%	0.78	S	S	*	*			trans	-154.7	-171	-156.8	-175.7	159.3	-132	0	0	111.9	R313	R313-E315 IonicContact CZ-OE1 3.25Å; R313-E315 IonicContact CZ-OE2 3.42Å; R313-E315 IonicContact NH1-OE1 3.43Å; R313-E315 PolarHBondContact NH1-OE1 3.33Å; R313-E315 IonicContact NH1-OE2 3.58Å; R313-E315 PolarHBondContact NH1-OE2 3.42Å; R313-E315 VanDerWaalsContact NH2-CD 3.29Å; R313-E315 IonicContact NH2-OE1 2.68Å; R313-E315 PolarHBondContact NH2-OE1 2.93Å; R313-E315 IonicContact NH2-OE2 3.32Å
316	L	31.9	Very low	30.2	Very low	147 Å²	147	155.7 Å²	155.7	77%	0.77	78%	0.784	S	S	*	*			trans	95.4	142.8	178	-51.5	168.2	0	0	0	113.9
317	Q	25.8	Very low	30.2	Very low	171 Å²	171	154.6 Å²	154.6	80%	0.799	79%	0.787	S	S	*	*			cis	-155.8	169.3	1.6	-135.3	166.4	18.7	0	0	112.8
318	V	31.8	Very low	30.1	Very low	133 Å²	133	154.3 Å²	154.3	81%	0.806	79%	0.785	S	S	*	*			trans	-145.9	148.6	179.3	-179.9	0	0	0	0	111.3
319	P	40.7	Very low	30.2	Very low	127 Å²	127	153.9 Å²	153.9	83%	0.825	79%	0.792	S	S	*	*			trans	-125.3	163.1	163.7	36.2	-22.1	0	0	0	116
320	G	28.3	Very low	31.1	Very low	63 Å²	63	152.7 Å²	152.7	65%	0.649	80%	0.796	S	S	*	*			trans	-138.6	-162.2	173.6	0	0	0	0	0	111.6
321	F	29.3	Very low	31.1	Very low	209 Å²	209	150.7 Å²	150.7	92%	0.917	80%	0.795	S	S	*	*			cis	-160.5	163.5	6.7	-86.7	-83	0	0	0	109.9
322	Q	26.2	Very low	30.8	Very low	203 Å²	203	146 Å²	146	95%	0.949	79%	0.787	S	S	*	*			trans	-152.7	168.5	162.2	-120.7	176.2	11.2	0	0	113.3
323	A	26.4	Very low	30.6	Very low	91 Å²	91	141.9 Å²	141.9	75%	0.752	78%	0.78	S	S	*	*			trans	-144.9	161.7	-152.2	0	0	0	0	0	118.3
324	C	26.4	Very low	30.5	Very low	124 Å²	124	143.8 Å²	143.8	84%	0.838	79%	0.789	S	S	*	*			trans	18.8	152.2	145.3	-70.4	0	0	0	0	122.6
325	P	45.8	Very low	31.6	Very low	127 Å²	127	140 Å²	140	83%	0.825	78%	0.782	S	S	*	*				-149.4	-155.1	53.9	43.4	-21.1	0	0	0	118.6
326	Q	29.8	Very low	31.4	Very low	173 Å²	173	138.5 Å²	138.5	81%	0.808	79%	0.791	S	S	*	*			trans	-99.5	-170.6	-159.5	-53.6	168.6	6.7	0	0	113.3
327	T	26.7	Very low	31.2	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	79%	0.793	S	S	*	*			cis	-144	-148.4	8.6	-21.2	0	0	0	0	109.5
328	V	23.8	Very low	31.2	Very low	124 Å²	124	131 Å²	131	75%	0.752	80%	0.795	S	S	*	*			cis	-150.2	149.9	14.3	-172.9	0	0	0	0	107.9
329	V	30.8	Very low	31	Very low	140 Å²	140	132.3 Å²	132.3	85%	0.848	80%	0.798	S	S	*	*			trans	-144	121.2	-178.7	-176.6	0	0	0	0	115.7
330	P	46.9	Very low	31.5	Very low	103 Å²	103	131 Å²	131	67%	0.669	79%	0.79	S	S	*	*			trans	-142	162.9	155.9	38.1	-23.1	0	0	0	114.4
331	Q	31.1	Very low	31.4	Very low	156 Å²	156	139.9 Å²	139.9	73%	0.729	80%	0.803	S	S	*	*			cis	-168.6	142.1	-30.2	-122.4	-173.3	97.4	0	0	110.4
332	N	28.7	Very low	31.3	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	80%	0.798	S	S	*	*			trans	70.4	149.1	151.3	-56.5	-12.8	0	0	0	119.9
333	T	24.1	Very low	31.3	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	79%	0.792	S	S	*	*			cis	-147.4	154.5	38.3	-53.6	0	0	0	0	115
334	Y	28.1	Very low	31.5	Very low	220 Å²	220	135.6 Å²	135.6	86%	0.863	79%	0.788	S	S	*	*			trans	-129.3	-175.6	-179	-93.6	-61.2	0	0	0	109.4
335	P	48.9	Very low	31.5	Very low	119 Å²	119	137.4 Å²	137.4	77%	0.773	79%	0.789	S	S	*	*			cis	-120	-152	9.4	42.6	-24.5	0	0	0	111.7
336	A	28.1	Very low	30.8	Very low	100 Å²	100	136.1 Å²	136.1	83%	0.826	78%	0.783	S	S	*	*			cis	-156	173.4	6.3	0	0	0	0	0	109.1
337	G	26.8	Very low	30.8	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	78%	0.781	S	S	*	*			cis	159	157.8	-8.4	0	0	0	0	0	111.9
338	G	26.2	Very low	31	Very low	82 Å²	82	136 Å²	136	85%	0.845	78%	0.782	S	S	*	*			trans	113.1	127.4	172.4	0	0	0	0	0	116.1
339	N	28.3	Very low	31.3	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	79%	0.789	S	S	*	*			trans	-170	174.9	177.4	-135.5	-11.3	0	0	0	106.7
340	P	51	Low	31.3	Very low	100 Å²	100	141.5 Å²	141.5	65%	0.649	79%	0.791	S	S	*	*			cis	-132.8	-171.5	-17.1	43	-27.4	0	0	0	113.1
341	R	25.4	Very low	30.4	Very low	249 Å²	249	142.9 Å²	142.9	94%	0.94	80%	0.797	S	S	*	*			trans	-168.2	158.3	133.7	-108.3	171	-169.4	-152.3	0.3	112.5
342	S	27.1	Very low	30.2	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	80%	0.798	S	S	*	*			trans	-122	160.7	-170	-36.9	0	0	0	0	112.2
343	L	27.5	Very low	30.3	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	80%	0.8	S	S	*	*			trans	-153.4	156.7	149.8	-150.7	69.9	0	0	0	111
344	E	30.1	Very low	30.4	Very low	142 Å²	142	143.6 Å²	143.6	66%	0.664	80%	0.798	S	S	*	*			trans	-66.8	162.5	-179.7	-50.9	105.6	122.4	0	0	112.6
345	N	27	Very low	30.4	Very low	162 Å²	162	139.8 Å²	139.8	87%	0.866	79%	0.791	S	S	*	*				-162.5	-180	54.1	-95.8	-60.1	0	0	0	114
346	S	29.6	Very low	29.4	Very low	100 Å²	100	139.5 Å²	139.5	70%	0.699	79%	0.788	S	S	*	*			trans	-127	179.8	176.8	-170.7	0	0	0	0	110.7
347	L	31.5	Very low	29.6	Very low	145 Å²	145	142.1 Å²	142.1	76%	0.759	79%	0.787	S	S	*	*			trans	82.6	115.6	179.2	-47.1	-179.4	0	0	0	112.2
348	D	30.4	Very low	29.7	Very low	145 Å²	145	143.5 Å²	143.5	78%	0.775	78%	0.784	S	S	*	*				81.5	104.7	61.7	-68.3	-49.7	0	0	0	111.9
349	E	30.5	Very low	29.9	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	79%	0.785	S	S	*	*			trans	-131.5	130.1	162.7	-74.6	-158	135.2	0	0	110.2
350	E	30.4	Very low	30	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	78%	0.782	S	S	*	*			trans	-82.5	130.2	178.9	-61.9	175.6	110.8	0	0	110.7	T352	E350-T352 PolarHBondContact O-N 3.49Å; E350-T352 VanDerWaalsContact O-N 3.16Å
351	V	28.6	Very low	28.9	Very low	132 Å²	132	141.1 Å²	141.1	80%	0.8	78%	0.778	S	S	*	*			trans	-85.7	89.6	176.2	-177.8	0	0	0	0	110.2	I353	V351-I353 PolarHBondContact O-N 3.21Å
352	T	25.9	Very low	29	Very low	121 Å²	121	136.5 Å²	136.5	74%	0.742	77%	0.772	S	S	*	*			trans	-65.4	115.1	173.1	-50.6	0	0	0	0	110.9	E350	E350-T352 PolarHBondContact O-N 3.49Å; E350-T352 VanDerWaalsContact O-N 3.16Å
353	I	31.2	Very low	29.2	Very low	140 Å²	140	138.8 Å²	138.8	72%	0.718	77%	0.77	S	S	*	*			trans	-94.1	99.8	175.5	-57.5	178.4	0	0	0	109.4	V351 I355	V351-I353 PolarHBondContact O-N 3.21Å; I353-I355 HydrophobicContact CG2-CG1 4.42Å; I353-I355 PolarHBondContact O-N 2.89Å
354	E	25.3	Very low	29.2	Very low	166 Å²	166	137.2 Å²	137.2	78%	0.776	76%	0.763	S	S	*	*			trans	-72.6	114.5	169.1	-69.4	-163.9	146.9	0	0	111.1	V356	E354-V356 PolarHBondContact O-N 3.01Å
355	I	29.6	Very low	29.2	Very low	140 Å²	140	136.3 Å²	136.3	72%	0.718	77%	0.772	S	S	*	*			trans	-86.9	87.2	174.5	-55.5	178.5	0	0	0	109.1	I353 L357	I353-I355 HydrophobicContact CG2-CG1 4.42Å; I353-I355 PolarHBondContact O-N 2.89Å; I355-L357 HydrophobicContact CG2-CD2 4.15Å; I355-L357 HydrophobicContact CG2-CG 4.29Å; I355-L357 PolarHBondContact O-N 3.43Å
356	V	27.5	Very low	29.5	Very low	114 Å²	114	136.7 Å²	136.7	69%	0.691	77%	0.769	S	S	*	*			trans	-74.6	93.9	171.8	-177.4	0	0	0	0	109.6	E354	E354-V356 PolarHBondContact O-N 3.01Å
357	L	31.5	Very low	29.5	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	77%	0.771	S	S	*	*			trans	-68.8	133	166.2	-65.5	177.6	0	0	0	109.7	I355	I355-L357 HydrophobicContact CG2-CD2 4.15Å; I355-L357 HydrophobicContact CG2-CG 4.29Å; I355-L357 PolarHBondContact O-N 3.43Å
358	S	29.1	Very low	29.4	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	77%	0.77	S	S	*	*			trans	-144.6	125.3	170.6	-71	0	0	0	0	110.1
359	S	31.6	Very low	30.1	Very low	123 Å²	123	135.9 Å²	135.9	86%	0.86	78%	0.776	S	S	*	*			trans	-98.5	-179.4	177.6	-169.1	0	0	0	0	110.4
360	S	29.5	Very low	29.9	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	77%	0.771	S	S	*	*			trans	74.6	144.6	-171.3	-157.4	0	0	0	0	114.2
361	G	28.5	Very low	29.8	Very low	55 Å²	55	131.8 Å²	131.8	57%	0.567	76%	0.758	S	S	*	*			cis	168.9	144.1	-7.4	0	0	0	0	0	112.7
362	D	27.8	Very low	29.7	Very low	152 Å²	152	130.6 Å²	130.6	81%	0.813	75%	0.751	S	S	*	*			trans	64.8	154	152.5	-49.4	-21.8	0	0	0	122.8
363	E	29.5	Very low	29.6	Very low	163 Å²	163	133 Å²	133	76%	0.762	76%	0.755	S	S	*	*			trans	57.9	111.8	163.1	-47.8	-44.7	69.5	0	0	124.1
364	D	27.2	Very low	29.4	Very low	124 Å²	124	134.6 Å²	134.6	66%	0.663	76%	0.759	S	S	*	*				37	131	115.2	-107	13.4	0	0	0	121.3
365	S	30.6	Very low	30	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	75%	0.753	S	S	*	*			trans	-153.2	141.3	141.6	-84	0	0	0	0	111.8
366	Q	33.4	Very low	29.7	Very low	171 Å²	171	134 Å²	134	80%	0.799	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-93.5	167.9	-165.8	-65	164.9	6.3	0	0	112.3
367	H	30.1	Very low	29.5	Very low	163 Å²	163	133.7 Å²	133.7	76%	0.755	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-83	139.2	172.7	-67.8	34.6	0	0	0	110.6
368	G	29.1	Very low	29.8	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-96.4	157.6	163.1	0	0	0	0	0	111.7
369	P	44.6	Very low	29.5	Very low	139 Å²	139	134 Å²	134	90%	0.903	76%	0.757	S	S	*	*			trans	-98.3	-167.3	-166.8	39.8	-37	0	0	0	115.5
370	Y	26.1	Very low	29.2	Very low	204 Å²	204	135 Å²	135	80%	0.8	75%	0.748	S	S	*	*			trans	-88.8	167	-159.9	179.6	-94.8	0	0	0	115.7
371	C	29.4	Very low	29.1	Very low	90 Å²	90	136.4 Å²	136.4	61%	0.608	74%	0.742	S	S	*	*			trans	-32.6	170.8	176.4	-50.2	0	0	0	0	118.3
372	T	26.1	Very low	29	Very low	107 Å²	107	140.4 Å²	140.4	66%	0.656	75%	0.746	S	S	*	*			cis	-139.6	-176.8	35.7	39.5	0	0	0	0	112.1
373	E	24	Very low	28.9	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	75%	0.747	S	S	*	*			cis	-149.4	171.2	34.7	-61.4	-85.7	120.5	0	0	113.1
374	E	25.9	Very low	28.7	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	75%	0.749	S	S	*	*			trans	-102.5	-179.4	165.3	-87.9	-95.6	123.1	0	0	109.6
375	P	38.9	Very low	28.8	Very low	100 Å²	100	143.5 Å²	143.5	65%	0.649	76%	0.759	S	S	*	*			cis	-127.1	173.4	-8.2	38.2	-22.5	0	0	0	114
376	E	23.7	Very low	29.1	Very low	193 Å²	193	143.8 Å²	143.8	90%	0.902	76%	0.758	S	S	*	*				173.1	155.9	122.6	-96.3	-170.5	173.9	0	0	113.2
377	S	23.4	Very low	28.8	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	76%	0.759	S	S	*	*			trans	-152.6	150	-173.5	-175.3	0	0	0	0	106.3
378	P	36.4	Very low	28.8	Very low	105 Å²	105	137 Å²	137	68%	0.682	75%	0.753	S	S	*	*			cis	-155.1	-162.1	49.6	34.6	-7.5	0	0	0	117.3
379	K	23.5	Very low	28.9	Very low	162 Å²	162	142.3 Å²	142.3	70%	0.704	76%	0.759	S	S	*	*			trans	99.9	122	158.3	-59.3	-151.2	166.8	-127.1	0	117
380	E	26.2	Very low	28.4	Very low	145 Å²	145	147.7 Å²	147.7	68%	0.678	76%	0.761	S	S	*	*				70	131.7	68.3	-70.7	175.5	150.7	0	0	111.7
381	E	26.1	Very low	28.5	Very low	145 Å²	145	141.4 Å²	141.4	68%	0.678	76%	0.758	S	S	*	*			cis	-166.7	176	-7.5	-150.8	-163	124.7	0	0	110.4
382	Q	26.3	Very low	28.6	Very low	139 Å²	139	143.5 Å²	143.5	65%	0.65	77%	0.774	S	S	*	*			trans	62.3	123.1	158.1	-54.5	-164	15.2	0	0	123.7
383	R	25.5	Very low	28.9	Very low	223 Å²	223	142.7 Å²	142.7	84%	0.842	78%	0.778	S	S	*	*				31.5	127.6	127.6	-55.4	176.5	175.8	-167.5	-0.3	119.7
384	S	26.1	Very low	29.4	Very low	115 Å²	115	143.9 Å²	143.9	80%	0.804	78%	0.784	S	S	*	*				178.2	148.7	94.3	-75.3	0	0	0	0	113.5
385	L	30.2	Very low	29.7	Very low	165 Å²	165	140.6 Å²	140.6	86%	0.864	79%	0.786	S	S	*	*			trans	-87.6	158.1	159.9	-69.2	169.4	0	0	0	109.4
386	P	36.3	Very low	29.5	Very low	128 Å²	128	140 Å²	140	83%	0.831	80%	0.799	S	S	*	*				-135.5	167.7	102.5	37.3	-27.5	0	0	0	113.7
387	A	28	Very low	29.9	Very low	99 Å²	99	134.3 Å²	134.3	82%	0.818	79%	0.791	S	S	*	*			trans	-98.3	163.4	-177.7	0	0	0	0	0	112.8
388	S	28.1	Very low	30.4	Very low	92 Å²	92	138.7 Å²	138.7	64%	0.643	80%	0.8	S	S	*	*				-178.5	167.5	115.7	-168.2	0	0	0	0	112.9
389	H	33	Very low	30.8	Very low	184 Å²	184	139.5 Å²	139.5	85%	0.852	80%	0.803	S	S	*	*			trans	80.7	131	166.9	-59.5	-68.5	0	0	0	119.7
390	R	33.4	Very low	31.3	Very low	251 Å²	251	140.8 Å²	140.8	95%	0.947	81%	0.811	S	S	*	*			trans	-88.6	152.3	-179.4	-63.5	175.3	168.5	-155.5	-2.5	110.9
391	G	28.1	Very low	31.4	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	81%	0.808	S	S	*	*				104.7	99.7	117.5	0	0	0	0	0	117.8
392	S	31.8	Very low	32.1	Very low	135 Å²	135	136.7 Å²	136.7	94%	0.944	81%	0.81	S	S	*	*				-154.1	150.6	126.8	-78.7	0	0	0	0	107.9
393	A	32.6	Very low	33.2	Very low	90 Å²	90	137.8 Å²	137.8	74%	0.744	81%	0.813	S	S	*	*			trans	-115.1	146	-172.5	0	0	0	0	0	111.8
394	E	33.8	Very low	34.4	Very low	197 Å²	197	135 Å²	135	92%	0.921	81%	0.807	S	S	*	*			trans	56.8	97.6	153.3	-63.2	179.8	158	0	0	119.2
395	A	33.3	Very low	36.3	Very low	104 Å²	104	132.8 Å²	132.8	86%	0.86	79%	0.791	S	S	*	*			trans	-135.7	139.9	132.7	0	0	0	0	0	107.9
396	G	33	Very low	38.1	Very low	88 Å²	88	128 Å²	128	91%	0.907	76%	0.762	S	S	*	*			trans	-76.9	150.1	-164.8	0	0	0	0	0	115.5
397	G	33.3	Very low	39.5	Very low	72 Å²	72	125.4 Å²	125.4	74%	0.742	74%	0.744	S	S	*	*			trans	-166.5	111.2	174.8	0	0	0	0	0	113.5
398	E	34.2	Very low	41.5	Very low	201 Å²	201	120.7 Å²	120.7	94%	0.939	71%	0.705	S	S	*	*			trans	66.4	140.1	162.2	-52.8	-163	120.2	0	0	120.4
399	V	43.5	Very low	42.6	Very low	123 Å²	123	121.2 Å²	121.2	75%	0.745	71%	0.706	S	S	*	*			trans	-109.8	92.9	-169	175.6	0	0	0	0	110.8	T401	V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 HydrophobicContact CG1-CG2 3.82Å; V399-T401 PolarHBondContact O-N 2.85Å
400	Q	35	Very low	43.5	Very low	189 Å²	189	118.7 Å²	118.7	88%	0.883	70%	0.699	S	S	*	*			trans	-83.7	73.1	173.7	-164	67.2	-0.5	0	0	111.3	S402	Q400-S402 PolarHBondContact O-N 2.84Å; Q400-S402 VanDerWaalsContact O-N 3.14Å
401	T	28.5	Very low	45	Very low	100 Å²	100	109.3 Å²	109.3	61%	0.613	67%	0.671	S	S	*	*			trans	-65.1	113.3	172.1	40	0	0	0	0	110.7	V399 K403	V399-T401 VanDerWaalsContact C-N 3.32Å; V399-T401 HydrophobicContact CG1-CG2 3.82Å; V399-T401 PolarHBondContact O-N 2.85Å; T401-K403 VanDerWaalsContact C-N 3.34Å; T401-K403 PolarHBondContact O-N 2.94Å
402	S	39.6	Very low	46.1	Very low	104 Å²	104	108.1 Å²	108.1	73%	0.727	66%	0.659	S	S	*	*			trans	-69.1	87.9	176	45.9	0	0	0	0	110.8	Q400 K404	Q400-S402 PolarHBondContact O-N 2.84Å; Q400-S402 VanDerWaalsContact O-N 3.14Å; S402-K404 PolarHBondContact O-N 2.73Å
403	K	49.1	Very low	47.3	Very low	162 Å²	162	106.3 Å²	106.3	70%	0.704	63%	0.634	S	S	*	*			trans	-58.8	95.6	172.2	-79.1	173.7	179.6	160	0	109.8	T401 S405	T401-K403 VanDerWaalsContact C-N 3.34Å; T401-K403 PolarHBondContact O-N 2.94Å; K403-S405 PolarHBondContact O-N 3.45Å
404	K	51.3	Low	49	Very low	164 Å²	164	107.6 Å²	107.6	71%	0.713	63%	0.627	S	S	*	*			trans	-59.6	95.2	174.2	-70.5	176.3	179.2	173.6	0	109.7	S402 Y406	S402-K404 PolarHBondContact O-N 2.73Å; K404-Y406 VanDerWaalsContact O-CE2 3.29Å; K404-Y406 WeakPolarHBondContact O-CE2 3.49Å
405	S	66.7	Low	50.9	Low	68 Å²	68	100.1 Å²	100.1	48%	0.476	59%	0.592	S	S	.	*			trans	-83.8	151.5	170.8	56.9	0	0	0	0	110.3	K403	K403-S405 PolarHBondContact O-N 3.45Å
406	Y	68	Low	52.3	Low	65 Å²	65	103 Å²	103	26%	0.255	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	111.1	-178	-59.9	-88.5	0	0	0	108.6	K404 F415 R418 F421	K404-Y406 VanDerWaalsContact O-CE2 3.29Å; K404-Y406 WeakPolarHBondContact O-CE2 3.49Å; Y406-F415 PolarHBondContact N-O 2.92Å; Y406-F415 PolarHBondContact O-N 3.4Å; Y406-R418 HydrophobicContact CD2-CB 4.26Å; Y406-R418 HydrophobicContact CE1-CB 4.13Å; Y406-R418 HydrophobicContact CE1-CG 4.11Å; Y406-R418 HydrophobicContact CE2-CB 3.77Å; Y406-F421 VanDerWaalsContact CB-CG 3.44Å; Y406-F421 HydrophobicContact CD1-CD1 4.2Å; Y406-F421 HydrophobicContact CG-CB 4.24Å; Y406-F421 HydrophobicContact CG-CD1 4.27Å; Y406-F421 HydrophobicContact CG-CG 4.25Å
407	V	65.4	Low	54.1	Low	73 Å²	73	105.6 Å²	105.6	44%	0.442	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	129.9	-175.9	-171.3	0	0	0	0	109.7	P409 I414 F421	V407-P409 WeakPolarHBondContact O-CD 3.35Å; V407-I414 HydrophobicContact CG1-CG1 4.29Å; V407-I414 HydrophobicContact CG2-CG1 4.08Å; V407-I414 HydrophobicContact CG2-CG2 4.3Å; V407-F421 VanDerWaalsContact O-CE2 3.31Å; V407-F421 WeakPolarHBondContact O-CE2 3.39Å
408	C	69.6	Low	55.6	Low	0 Å²	0	109.4 Å²	109.4	0%	0	56%	0.555	C	S	.	*			trans	-79.8	117.2	173.8	-173.6	0	0	0	0	110.8	N410 C411 G412 K413 F415 F421 H424 R428	C408-N410 VanDerWaalsContact C-N 3.34Å; C408-N410 PolarHBondContact O-N 3.39Å; C408-C411 PolarHBondContact O-N 3.44Å; C408-G412 WeakPolarHBondContact O-CA 3.19Å; C408-G412 PolarHBondContact O-N 2.86Å; C408-K413 PolarHBondContact N-O 3Å; C408-F415 HydrophobicContact CB-CE2 4.41Å; C408-F421 HydrophobicContact CB-CE2 4.32Å; C408-H424 VanDerWaalsContact SG-CD2 3.55Å; C408-H424 PolarHBondContact SG-NE2 2.99Å; C408-R428 PolarHBondContact SG-NH2 3.43Å
409	P	52.3	Low	57.2	Low	104 Å²	104	105.1 Å²	105.1	68%	0.675	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-46.8	-179.6	20.6	-30.1	0	0	0	111.1	V407 C411	V407-P409 WeakPolarHBondContact O-CD 3.35Å; P409-C411 PolarHBondContact O-N 2.82Å
410	N	51.9	Low	57.9	Low	130 Å²	130	102 Å²	102	70%	0.695	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	14	-172.6	-52.3	18.4	0	0	0	113.9	C408 R428	C408-N410 VanDerWaalsContact C-N 3.34Å; C408-N410 PolarHBondContact O-N 3.39Å; N410-R428 PolarHBondContact O-NH1 3.26Å; N410-R428 PolarHBondContact O-NH2 2.71Å
411	C	63.5	Low	59.5	Low	55 Å²	55	94.3 Å²	94.3	37%	0.372	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-166.5	6.1	170.2	73.2	0	0	0	0	116.4	C408 P409 K413 H424 R428	C408-C411 PolarHBondContact O-N 3.44Å; P409-C411 PolarHBondContact O-N 2.82Å; C411-K413 PolarHBondContact O-N 3.49Å; C411-H424 VanDerWaalsContact SG-CE1 3.59Å; C411-H424 PolarHBondContact SG-NE2 3.29Å; C411-R428 PolarHBondContact SG-NH2 2.85Å
412	G	51.4	Low	61.4	Low	46 Å²	46	92.5 Å²	92.5	47%	0.474	47%	0.471	S	S	.	.			trans	69.7	-8.2	179.9	0	0	0	0	0	116.9	C408 I414	C408-G412 WeakPolarHBondContact O-CA 3.19Å; C408-G412 PolarHBondContact O-N 2.86Å; G412-I414 WeakPolarHBondContact O-CG1 3.32Å; G412-I414 PolarHBondContact O-N 3.32Å
413	K	58.1	Low	62.6	Low	98 Å²	98	93.5 Å²	93.5	43%	0.426	46%	0.459	S	S	.	.			trans	-63.6	127.1	-175.7	-71.5	-174.1	176.1	-173.2	0	112.1	C408 C411 F415	C408-K413 PolarHBondContact N-O 3Å; C411-K413 PolarHBondContact O-N 3.49Å; K413-F415 HydrophobicContact CB-CE2 3.69Å; K413-F415 HydrophobicContact CB-CZ 3.92Å; K413-F415 WeakPolarHBondContact O-CD2 3.42Å; K413-F415 WeakPolarHBondContact O-CE2 3.49Å
414	I	66.9	Low	63.5	Low	117 Å²	117	87 Å²	87	60%	0.6	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.8	-177.2	-50.2	-173.3	0	0	0	109.7	V407 G412	V407-I414 HydrophobicContact CG1-CG1 4.29Å; V407-I414 HydrophobicContact CG2-CG1 4.08Å; V407-I414 HydrophobicContact CG2-CG2 4.3Å; G412-I414 WeakPolarHBondContact O-CG1 3.32Å; G412-I414 PolarHBondContact O-N 3.32Å
415	F	75.3	Confident	64.1	Low	40 Å²	40	82.2 Å²	82.2	18%	0.175	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.8	179.7	-61.6	-88.3	0	0	0	110.8	Y406 C408 K413 W417 N420 F421 H424	Y406-F415 PolarHBondContact N-O 2.92Å; Y406-F415 PolarHBondContact O-N 3.4Å; C408-F415 HydrophobicContact CB-CE2 4.41Å; K413-F415 HydrophobicContact CB-CE2 3.69Å; K413-F415 HydrophobicContact CB-CZ 3.92Å; K413-F415 WeakPolarHBondContact O-CD2 3.42Å; K413-F415 WeakPolarHBondContact O-CE2 3.49Å; F415-W417 PolarHBondContact O-N 2.89Å; F415-N420 HydrophobicContact CD1-CB 3.88Å; F415-F421 HydrophobicContact CB-CB 4Å; F415-F421 HydrophobicContact CD2-CB 4.23Å; F415-F421 HydrophobicContact CD2-CD2 4.01Å; F415-F421 HydrophobicContact CG-CB 4.23Å; F415-H424 HydrophobicContact CE1-CB 3.99Å; F415-H424 HydrophobicContact CE2-CB 3.85Å; F415-H424 AromaticContact CE2-CD2 3.64Å; F415-H424 AromaticContact CE2-CG 3.62Å; F415-H424 HydrophobicContact CZ-CB 3.44Å; F415-H424 VanDerWaalsContact CZ-CB 3.44Å; F415-H424 AromaticContact CZ-CD2 3.82Å; F415-H424 AromaticContact CZ-CG 3.32Å; F415-H424 AromaticContact CZ-ND1 3.71Å
416	R	62.6	Low	63.8	Low	164 Å²	164	86 Å²	86	62%	0.619	42%	0.416	S	S	*	.	S	Bend	trans	-66.2	-20.8	175.9	176.5	176.4	158.4	173.6	-5.8	113.6
417	W	70.5	Confident	63.2	Low	142 Å²	142	86 Å²	86	54%	0.538	43%	0.425	S	S	.	.	S	Bend	trans	-133.5	136.9	-172.1	-55.7	122.4	0	0	0	111.9	F415 V419 N420 F421	F415-W417 PolarHBondContact O-N 2.89Å; W417-V419 VanDerWaalsContact C-N 3.28Å; W417-V419 HydrophobicContact CB-CG2 4.18Å; W417-V419 PolarHBondContact O-N 2.99Å; W417-N420 PolarHBondContact O-N 2.96Å; W417-F421 PolarHBondContact O-N 2.86Å
418	R	63.2	Low	62.7	Low	153 Å²	153	87.8 Å²	87.8	58%	0.577	42%	0.424	S	S	*	.	H	α-helix	trans	-57.8	-36.9	-179.2	-170.1	174.9	172.2	91.2	-7.8	112.8	Y406 N420 F421 I422	Y406-R418 HydrophobicContact CD2-CB 4.26Å; Y406-R418 HydrophobicContact CE1-CB 4.13Å; Y406-R418 HydrophobicContact CE1-CG 4.11Å; Y406-R418 HydrophobicContact CE2-CB 3.77Å; R418-N420 PolarHBondContact O-N 3.48Å; R418-F421 WeakPolarHBondContact O-CB 3.39Å; R418-F421 PolarHBondContact O-N 3.1Å; R418-I422 HydrophobicContact CG-CG1 4.17Å; R418-I422 WeakPolarHBondContact O-CB 3.4Å; R418-I422 VanDerWaalsContact O-CG1 3.29Å; R418-I422 WeakPolarHBondContact O-CG1 3.3Å; R418-I422 PolarHBondContact O-N 2.94Å
419	V	68.4	Low	61.9	Low	110 Å²	110	95.8 Å²	95.8	67%	0.667	45%	0.454	S	S	*	.	H	α-helix	trans	-62.1	-42.3	179.1	-65.1	0	0	0	0	112.6	W417 I422 R423	W417-V419 VanDerWaalsContact C-N 3.28Å; W417-V419 HydrophobicContact CB-CG2 4.18Å; W417-V419 PolarHBondContact O-N 2.99Å; V419-I422 PolarHBondContact O-N 3.49Å; V419-R423 WeakPolarHBondContact O-CB 3.46Å; V419-R423 PolarHBondContact O-N 3.48Å
420	N	59.1	Low	61.4	Low	57 Å²	57	97 Å²	97	31%	0.305	45%	0.451	S	S	.	.	H	α-helix	trans	-71.1	-35.6	177.9	-74	-24.5	0	0	0	112	F415 W417 R418 R423 H424	F415-N420 HydrophobicContact CD1-CB 3.88Å; W417-N420 PolarHBondContact O-N 2.96Å; R418-N420 PolarHBondContact O-N 3.48Å; N420-R423 PolarHBondContact OD1-NH2 3.37Å; N420-H424 WeakPolarHBondContact O-CB 3.45Å; N420-H424 PolarHBondContact O-N 3.47Å
421	F	67.9	Low	61	Low	29 Å²	29	99.5 Å²	99.5	13%	0.127	46%	0.459	C	S	.	.	H	α-helix	trans	-62.3	-48.1	172	174	-112.4	0	0	0	112.4	Y406 V407 C408 F415 W417 R418 H424 L425	Y406-F421 VanDerWaalsContact CB-CG 3.44Å; Y406-F421 HydrophobicContact CD1-CD1 4.2Å; Y406-F421 HydrophobicContact CG-CB 4.24Å; Y406-F421 HydrophobicContact CG-CD1 4.27Å; Y406-F421 HydrophobicContact CG-CG 4.25Å; V407-F421 VanDerWaalsContact O-CE2 3.31Å; V407-F421 WeakPolarHBondContact O-CE2 3.39Å; C408-F421 HydrophobicContact CB-CE2 4.32Å; F415-F421 HydrophobicContact CB-CB 4Å; F415-F421 HydrophobicContact CD2-CB 4.23Å; F415-F421 HydrophobicContact CD2-CD2 4.01Å; F415-F421 HydrophobicContact CG-CB 4.23Å; W417-F421 PolarHBondContact O-N 2.86Å; R418-F421 WeakPolarHBondContact O-CB 3.39Å; R418-F421 PolarHBondContact O-N 3.1Å; F421-H424 PolarHBondContact O-N 2.84Å; F421-L425 HydrophobicContact CD1-CD1 4.16Å; F421-L425 HydrophobicContact CE1-CD1 3.63Å; F421-L425 HydrophobicContact CE2-CD1 4.11Å; F421-L425 HydrophobicContact CE2-CG 4.3Å; F421-L425 HydrophobicContact CZ-CD1 3.61Å; F421-L425 HydrophobicContact CZ-CG 4.3Å; F421-L425 WeakPolarHBondContact O-CG 3.26Å; F421-L425 PolarHBondContact O-N 3.47Å
422	I	67.9	Low	60.1	Low	62 Å²	62	105 Å²	105	32%	0.318	48%	0.479	S	S	.	.	H	α-helix	trans	-65.6	-39.2	178.6	-66.8	-65.2	0	0	0	111.2	R418 V419 L425 R426	R418-I422 HydrophobicContact CG-CG1 4.17Å; R418-I422 WeakPolarHBondContact O-CB 3.4Å; R418-I422 VanDerWaalsContact O-CG1 3.29Å; R418-I422 WeakPolarHBondContact O-CG1 3.3Å; R418-I422 PolarHBondContact O-N 2.94Å; V419-I422 PolarHBondContact O-N 3.49Å; I422-L425 PolarHBondContact O-N 2.91Å; I422-R426 PolarHBondContact O-N 3.12Å
423	R	64.6	Low	60.1	Low	125 Å²	125	106.8 Å²	106.8	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-43	172.2	179.5	163.9	53.9	171.4	-6.1	111.9	V419 N420 L425 R426 S427	V419-R423 WeakPolarHBondContact O-CB 3.46Å; V419-R423 PolarHBondContact O-N 3.48Å; N420-R423 PolarHBondContact OD1-NH2 3.37Å; R423-L425 PolarHBondContact O-N 2.82Å; R423-R426 PolarHBondContact O-N 3.2Å; R423-S427 WeakPolarHBondContact O-CB 3.32Å; R423-S427 PolarHBondContact O-N 3.17Å; R423-S427 PolarHBondContact O-OG 3.15Å
424	H	69.5	Low	60	Low	25 Å²	25	106.7 Å²	106.7	12%	0.116	48%	0.483	C	S	.	.	H	α-helix	trans	-64.8	-34.9	175.6	172.5	75.7	0	0	0	113.7	C408 C411 F415 N420 F421 S427 R428	C408-H424 VanDerWaalsContact SG-CD2 3.55Å; C408-H424 PolarHBondContact SG-NE2 2.99Å; C411-H424 VanDerWaalsContact SG-CE1 3.59Å; C411-H424 PolarHBondContact SG-NE2 3.29Å; F415-H424 HydrophobicContact CE1-CB 3.99Å; F415-H424 HydrophobicContact CE2-CB 3.85Å; F415-H424 AromaticContact CE2-CD2 3.64Å; F415-H424 AromaticContact CE2-CG 3.62Å; F415-H424 HydrophobicContact CZ-CB 3.44Å; F415-H424 VanDerWaalsContact CZ-CB 3.44Å; F415-H424 AromaticContact CZ-CD2 3.82Å; F415-H424 AromaticContact CZ-CG 3.32Å; F415-H424 AromaticContact CZ-ND1 3.71Å; N420-H424 WeakPolarHBondContact O-CB 3.45Å; N420-H424 PolarHBondContact O-N 3.47Å; F421-H424 PolarHBondContact O-N 2.84Å; H424-S427 PolarHBondContact O-OG 2.99Å; H424-R428 PolarHBondContact CE1-NE 3.43Å; H424-R428 VanDerWaalsContact CE1-NE 3.29Å; H424-R428 PolarHBondContact NE2-NE 3.36Å; H424-R428 PolarHBondContact NE2-NH2 3.09Å
425	L	63.3	Low	59.4	Low	63 Å²	63	104 Å²	104	33%	0.33	47%	0.468	S	S	.	.	H	α-helix	trans	-69.6	-44.6	172.4	-70.3	179.4	0	0	0	111.3	F421 I422 R423 S427 R428 R429	F421-L425 HydrophobicContact CD1-CD1 4.16Å; F421-L425 HydrophobicContact CE1-CD1 3.63Å; F421-L425 HydrophobicContact CE2-CD1 4.11Å; F421-L425 HydrophobicContact CE2-CG 4.3Å; F421-L425 HydrophobicContact CZ-CD1 3.61Å; F421-L425 HydrophobicContact CZ-CG 4.3Å; F421-L425 WeakPolarHBondContact O-CG 3.26Å; F421-L425 PolarHBondContact O-N 3.47Å; I422-L425 PolarHBondContact O-N 2.91Å; R423-L425 PolarHBondContact O-N 2.82Å; L425-S427 PolarHBondContact O-N 2.87Å; L425-R428 PolarHBondContact O-N 2.93Å; L425-R428 VanDerWaalsContact O-N 3.14Å; L425-R429 PolarHBondContact O-N 2.8Å; L425-R429 VanDerWaalsContact O-N 3.11Å
426	R	61.3	Low	58.2	Low	149 Å²	149	108 Å²	108	56%	0.562	49%	0.487	S	S	*	.	H	α-helix	trans	-57.8	-47	175.2	-80	-164.3	-92	129.9	-12.3	111.9	I422 R423 R428 D446	I422-R426 PolarHBondContact O-N 3.12Å; R423-R426 PolarHBondContact O-N 3.2Å; R426-R428 PolarHBondContact O-N 3.33Å; R426-D446 IonicContact NH1-OD1 3.56Å; R426-D446 PolarHBondContact NH1-OD1 2.97Å
427	S	54.1	Low	57.9	Low	63 Å²	63	100.1 Å²	100.1	44%	0.441	46%	0.457	S	S	.	.	H	α-helix	trans	-68.2	2.1	179.1	72.5	0	0	0	0	114.9	R423 H424 L425	R423-S427 WeakPolarHBondContact O-CB 3.32Å; R423-S427 PolarHBondContact O-N 3.17Å; R423-S427 PolarHBondContact O-OG 3.15Å; H424-S427 PolarHBondContact O-OG 2.99Å; L425-S427 PolarHBondContact O-N 2.87Å
428	R	55.9	Low	57	Low	111 Å²	111	98.6 Å²	98.6	42%	0.419	47%	0.468	S	S	.	.	H	α-helix	trans	-134.8	-1.2	-176.9	-72.4	-139.8	-58.3	142.7	0.3	115.6	C408 N410 C411 H424 L425 R426	C408-R428 PolarHBondContact SG-NH2 3.43Å; N410-R428 PolarHBondContact O-NH1 3.26Å; N410-R428 PolarHBondContact O-NH2 2.71Å; C411-R428 PolarHBondContact SG-NH2 2.85Å; H424-R428 PolarHBondContact CE1-NE 3.43Å; H424-R428 VanDerWaalsContact CE1-NE 3.29Å; H424-R428 PolarHBondContact NE2-NE 3.36Å; H424-R428 PolarHBondContact NE2-NH2 3.09Å; L425-R428 PolarHBondContact O-N 2.93Å; L425-R428 VanDerWaalsContact O-N 3.14Å; R426-R428 PolarHBondContact O-N 3.33Å
429	R	51.5	Low	56.1	Low	168 Å²	168	95.6 Å²	95.6	63%	0.634	47%	0.467	S	S	*	.	H	α-helix	trans	-74.1	-58	178.1	-166.8	172.8	-166.3	-175.6	4.4	111.3	E135 L425	E135-R429 IonicContact OE1-CZ 3.01Å; E135-R429 IonicContact OE1-NE 3.27Å; E135-R429 PolarHBondContact OE1-NE 2.72Å; E135-R429 IonicContact OE1-NH2 3.71Å; E135-R429 PolarHBondContact OE1-NH2 3.5Å; E135-R429 IonicContact OE2-NH2 2.78Å; E135-R429 PolarHBondContact OE2-NH2 2.86Å; L425-R429 PolarHBondContact O-N 2.8Å; L425-R429 VanDerWaalsContact O-N 3.11Å
430	E	42	Very low	54.9	Low	131 Å²	131	93.6 Å²	93.6	61%	0.612	46%	0.457	S	S	*	.			trans	-141	172	-178.8	-126.6	71.9	-125.6	0	0	110.6	E432	E430-E432 HydrophobicContact CB-CG 4.38Å; E430-E432 PolarHBondContact O-N 2.86Å
431	Q	44.9	Very low	54.1	Low	181 Å²	181	92.8 Å²	92.8	85%	0.846	46%	0.462	S	S	*	.	S	Bend	trans	-80.4	23.6	168	-61.9	-170.2	22.1	0	0	113.2	K433	Q431-K433 PolarHBondContact O-N 3.32Å
432	E	43.2	Very low	53.1	Low	171 Å²	171	96.6 Å²	96.6	80%	0.799	48%	0.48	S	S	*	.			trans	-69.3	82.4	164	-69.7	-153.1	146.3	0	0	109.8	E430 P434	E430-E432 HydrophobicContact CB-CG 4.38Å; E430-E432 PolarHBondContact O-N 2.86Å; E432-P434 VanDerWaalsContact O-CD 3.28Å; E432-P434 WeakPolarHBondContact O-CD 3.37Å
433	K	51.7	Low	52.6	Low	83 Å²	83	97 Å²	97	36%	0.361	48%	0.482	S	S	.	.			trans	-98.6	87.4	164.9	-79.9	169.5	142.3	-150.2	0	106.7	Q431 H435 L443 F444	Q431-K433 PolarHBondContact O-N 3.32Å; K433-H435 PolarHBondContact O-N 2.86Å; K433-H435 VanDerWaalsContact O-N 3.12Å; K433-L443 HydrophobicContact CB-CB 3.6Å; K433-L443 HydrophobicContact CD-CB 3.84Å; K433-L443 VanDerWaalsContact CD-O 3.3Å; K433-L443 WeakPolarHBondContact CD-O 3.3Å; K433-L443 VanDerWaalsContact CE-O 3.24Å; K433-L443 WeakPolarHBondContact CE-O 3.34Å; K433-L443 HydrophobicContact CG-CB 4.38Å; K433-L443 PolarHBondContact NZ-O 2.91Å; K433-F444 CarbonylContact C-O 3.58Å; K433-F444 WeakPolarHBondContact CA-O 3.47Å; K433-F444 VanDerWaalsContact CB-O 3.31Å; K433-F444 WeakPolarHBondContact CB-O 3.35Å
434	P	56.2	Low	52.9	Low	96 Å²	96	92.6 Å²	92.6	62%	0.623	47%	0.467	S	S	*	.			trans	-71.4	-10.2	-165.6	30.1	-37.1	0	0	0	113.6	E432	E432-P434 VanDerWaalsContact O-CD 3.28Å; E432-P434 WeakPolarHBondContact O-CD 3.37Å
435	H	54.6	Low	52.4	Low	62 Å²	62	93.5 Å²	93.5	29%	0.287	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	84.2	-175.1	-65.7	-61.1	0	0	0	110.3	K433 F444 S447 L450	K433-H435 PolarHBondContact O-N 2.86Å; K433-H435 VanDerWaalsContact O-N 3.12Å; H435-F444 HydrophobicContact CB-CB 4.04Å; H435-F444 PolarHBondContact N-O 3.38Å; H435-F444 PolarHBondContact O-N 3.43Å; H435-S447 PolarHBondContact CD2-N 3.14Å; H435-L450 HydrophobicContact CB-CB 3.82Å; H435-L450 HydrophobicContact CB-CD2 3.7Å; H435-L450 HydrophobicContact CB-CG 4.27Å
436	E	49.6	Very low	52.7	Low	122 Å²	122	92.4 Å²	92.4	57%	0.57	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	132	174.2	-175.1	176.4	177.7	0	0	111.9	S438 L443	E436-S438 PolarHBondContact O-N 3.15Å; E436-L443 HydrophobicContact CB-CD2 3.6Å; E436-L443 HydrophobicContact CG-CD2 3.73Å
437	C	56.9	Low	53	Low	0 Å²	0	88 Å²	88	0%	0	46%	0.462	C	S	.	.			trans	-74.5	109.1	168.7	-178.1	0	0	0	0	111.6	V439 C440 G441 E442 F444 L450 H453 H457	C437-V439 PolarHBondContact O-N 3.34Å; C437-V439 PolarHBondContact SG-N 3.01Å; C437-C440 PolarHBondContact O-N 3.36Å; C437-C440 VanDerWaalsContact O-N 3.15Å; C437-G441 PolarHBondContact O-N 3.04Å; C437-E442 HydrophobicContact CB-CB 4.46Å; C437-E442 WeakPolarHBondContact CB-O 3.24Å; C437-E442 PolarHBondContact N-O 3.27Å; C437-F444 HydrophobicContact CB-CE2 4.18Å; C437-L450 HydrophobicContact CB-CD1 3.97Å; C437-H453 VanDerWaalsContact CB-CD2 3.47Å; C437-H453 WeakPolarHBondContact CB-CD2 3.17Å; C437-H453 WeakPolarHBondContact CB-NE2 3.21Å; C437-H453 PolarHBondContact SG-CD2 3.23Å; C437-H453 PolarHBondContact SG-NE2 3.04Å; C437-H453 VanDerWaalsContact SG-NE2 3.35Å; C437-H457 PolarHBondContact SG-CD2 3Å; C437-H457 PolarHBondContact SG-NE2 3.12Å
438	S	51	Low	53.8	Low	109 Å²	109	92.5 Å²	92.5	76%	0.762	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-9.6	175.6	57.6	0	0	0	0	116.1	E436	E436-S438 PolarHBondContact O-N 3.15Å
439	V	44.5	Very low	54.3	Low	91 Å²	91	91.7 Å²	91.7	55%	0.552	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-24.9	-179.7	-169	0	0	0	0	112.9	C437 L454 H457	C437-V439 PolarHBondContact O-N 3.34Å; C437-V439 PolarHBondContact SG-N 3.01Å; V439-L454 HydrophobicContact CG2-CD2 4.49Å; V439-H457 HydrophobicContact CB-CB 4.12Å; V439-H457 HydrophobicContact CG1-CB 3.93Å; V439-H457 WeakPolarHBondContact CG1-ND1 3.45Å; V439-H457 HydrophobicContact CG2-CB 4.03Å
440	C	43.9	Very low	55.3	Low	68 Å²	68	84.7 Å²	84.7	46%	0.459	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	2.5	-177.3	72.9	0	0	0	0	117.2	C437 E442 H453 H457	C437-C440 PolarHBondContact O-N 3.36Å; C437-C440 VanDerWaalsContact O-N 3.15Å; C440-E442 PolarHBondContact O-N 2.78Å; C440-E442 VanDerWaalsContact SG-CG 3.57Å; C440-H453 PolarHBondContact SG-NE2 3.46Å; C440-H453 VanDerWaalsContact SG-NE2 3.39Å; C440-H457 PolarHBondContact SG-CE1 3.28Å; C440-H457 PolarHBondContact SG-NE2 3.3Å; C440-H457 VanDerWaalsContact SG-NE2 3.41Å
441	G	41.5	Very low	56.6	Low	39 Å²	39	82.8 Å²	82.8	40%	0.402	45%	0.449	S	S	.	.			trans	69.4	11.4	179.1	0	0	0	0	0	115	C437	C437-G441 PolarHBondContact O-N 3.04Å
442	E	47.8	Very low	57.7	Low	110 Å²	110	76 Å²	76	51%	0.514	43%	0.429	S	S	.	.			trans	-68.7	131.3	167.7	-76.9	-81.5	155.6	0	0	108.6	C437 C440 F444	C437-E442 HydrophobicContact CB-CB 4.46Å; C437-E442 WeakPolarHBondContact CB-O 3.24Å; C437-E442 PolarHBondContact N-O 3.27Å; C440-E442 PolarHBondContact O-N 2.78Å; C440-E442 VanDerWaalsContact SG-CG 3.57Å; E442-F444 HydrophobicContact CB-CE2 3.52Å; E442-F444 HydrophobicContact CB-CZ 3.74Å; E442-F444 WeakPolarHBondContact O-CD2 3.41Å; E442-F444 VanDerWaalsContact O-CE2 3.3Å; E442-F444 WeakPolarHBondContact O-CE2 3.42Å
443	L	57.6	Low	59	Low	69 Å²	69	69.4 Å²	69.4	36%	0.361	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.1	-175.3	-61.4	172.6	0	0	0	110.5	K433 E436	K433-L443 HydrophobicContact CB-CB 3.6Å; K433-L443 HydrophobicContact CD-CB 3.84Å; K433-L443 VanDerWaalsContact CD-O 3.3Å; K433-L443 WeakPolarHBondContact CD-O 3.3Å; K433-L443 VanDerWaalsContact CE-O 3.24Å; K433-L443 WeakPolarHBondContact CE-O 3.34Å; K433-L443 HydrophobicContact CG-CB 4.38Å; K433-L443 PolarHBondContact NZ-O 2.91Å; E436-L443 HydrophobicContact CB-CD2 3.6Å; E436-L443 HydrophobicContact CG-CD2 3.73Å
444	F	69.7	Low	59.3	Low	34 Å²	34	67.6 Å²	67.6	15%	0.149	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	152.4	-175.9	-64.6	-84.4	0	0	0	113.4	K433 H435 C437 E442 D449 L450 H453	K433-F444 CarbonylContact C-O 3.58Å; K433-F444 WeakPolarHBondContact CA-O 3.47Å; K433-F444 VanDerWaalsContact CB-O 3.31Å; K433-F444 WeakPolarHBondContact CB-O 3.35Å; H435-F444 HydrophobicContact CB-CB 4.04Å; H435-F444 PolarHBondContact N-O 3.38Å; H435-F444 PolarHBondContact O-N 3.43Å; C437-F444 HydrophobicContact CB-CE2 4.18Å; E442-F444 HydrophobicContact CB-CE2 3.52Å; E442-F444 HydrophobicContact CB-CZ 3.74Å; E442-F444 WeakPolarHBondContact O-CD2 3.41Å; E442-F444 VanDerWaalsContact O-CE2 3.3Å; E442-F444 WeakPolarHBondContact O-CE2 3.42Å; F444-D449 HydrophobicContact CB-CB 4.37Å; F444-D449 HydrophobicContact CD1-CB 3.99Å; F444-L450 HydrophobicContact CB-CB 4.06Å; F444-L450 HydrophobicContact CD2-CB 4.32Å; F444-L450 HydrophobicContact CD2-CD1 3.84Å; F444-L450 HydrophobicContact CE2-CD1 4.42Å; F444-L450 HydrophobicContact CG-CB 4.3Å; F444-H453 HydrophobicContact CE1-CB 4.01Å; F444-H453 HydrophobicContact CE2-CB 3.94Å; F444-H453 AromaticContact CE2-CD2 3.32Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.28Å; F444-H453 AromaticContact CE2-CE1 3.93Å; F444-H453 AromaticContact CE2-CG 3.43Å; F444-H453 VanDerWaalsContact CE2-CG 3.43Å; F444-H453 AromaticContact CE2-ND1 3.84Å; F444-H453 AromaticContact CE2-NE2 3.67Å; F444-H453 HydrophobicContact CZ-CB 3.69Å; F444-H453 AromaticContact CZ-CD2 3.61Å; F444-H453 AromaticContact CZ-CE1 3.6Å; F444-H453 AromaticContact CZ-CG 3.23Å; F444-H453 AromaticContact CZ-ND1 3.26Å; F444-H453 VanDerWaalsContact CZ-ND1 3.26Å; F444-H453 WeakPolarHBondContact CZ-ND1 3.31Å; F444-H453 AromaticContact CZ-NE2 3.83Å
445	S	60.5	Low	59.6	Low	43 Å²	43	68.8 Å²	68.8	30%	0.301	39%	0.389	S	S	.	.	S	Bend	trans	-91.5	-33.8	-170.9	-67.8	0	0	0	0	114.6
446	D	68	Low	59.7	Low	40 Å²	40	67.3 Å²	67.3	21%	0.214	39%	0.385	C	S	.	.	S	Bend	trans	-127.2	156.2	174	-68.6	-62.1	0	0	0	107.9	R426 E448 D449 L450	R426-D446 IonicContact NH1-OD1 3.56Å; R426-D446 PolarHBondContact NH1-OD1 2.97Å; D446-E448 PolarHBondContact O-N 3.01Å; D446-D449 PolarHBondContact O-N 3.05Å; D446-L450 PolarHBondContact O-N 2.84Å
447	S	67.1	Low	59.9	Low	57 Å²	57	64.7 Å²	64.7	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-69	-34.2	-173.6	58	0	0	0	0	113.6	H435 D449 L450 D451	H435-S447 PolarHBondContact CD2-N 3.14Å; S447-D449 VanDerWaalsContact C-N 3.25Å; S447-D449 PolarHBondContact O-N 3.31Å; S447-L450 CarbonylContact O-C 3.53Å; S447-L450 WeakPolarHBondContact O-CA 3.45Å; S447-L450 WeakPolarHBondContact O-CB 3.41Å; S447-L450 PolarHBondContact O-N 3.39Å; S447-D451 PolarHBondContact O-N 2.84Å
448	E	72.4	Confident	59.6	Low	157 Å²	157	69.2 Å²	69.2	73%	0.734	39%	0.394	S	S	*	.	H	α-helix	trans	-59.5	-36.3	177.4	-60.3	177.2	160.9	0	0	112	D446 D451 G452	D446-E448 PolarHBondContact O-N 3.01Å; E448-D451 PolarHBondContact O-N 2.99Å; E448-G452 PolarHBondContact O-N 2.88Å
449	D	66.1	Low	59.6	Low	95 Å²	95	68.2 Å²	68.2	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-69.1	-35.1	174.5	-76.9	-27.4	0	0	0	111.6	F444 D446 S447 H453	F444-D449 HydrophobicContact CB-CB 4.37Å; F444-D449 HydrophobicContact CD1-CB 3.99Å; D446-D449 PolarHBondContact O-N 3.05Å; S447-D449 VanDerWaalsContact C-N 3.25Å; S447-D449 PolarHBondContact O-N 3.31Å; D449-H453 WeakPolarHBondContact O-CB 3.35Å; D449-H453 PolarHBondContact O-N 3.33Å; D449-H453 VanDerWaalsContact O-N 3.14Å
450	L	72	Confident	59.8	Low	20 Å²	20	70.8 Å²	70.8	11%	0.105	40%	0.398	C	S	.	.	H	α-helix	trans	-68.7	-44.9	172.9	173.3	64.9	0	0	0	111	H435 C437 F444 D446 S447 H453 L454	H435-L450 HydrophobicContact CB-CB 3.82Å; H435-L450 HydrophobicContact CB-CD2 3.7Å; H435-L450 HydrophobicContact CB-CG 4.27Å; C437-L450 HydrophobicContact CB-CD1 3.97Å; F444-L450 HydrophobicContact CB-CB 4.06Å; F444-L450 HydrophobicContact CD2-CB 4.32Å; F444-L450 HydrophobicContact CD2-CD1 3.84Å; F444-L450 HydrophobicContact CE2-CD1 4.42Å; F444-L450 HydrophobicContact CG-CB 4.3Å; D446-L450 PolarHBondContact O-N 2.84Å; S447-L450 CarbonylContact O-C 3.53Å; S447-L450 WeakPolarHBondContact O-CA 3.45Å; S447-L450 WeakPolarHBondContact O-CB 3.41Å; S447-L450 PolarHBondContact O-N 3.39Å; L450-H453 CarbonylContact O-C 3.55Å; L450-H453 WeakPolarHBondContact O-CA 3.23Å; L450-H453 WeakPolarHBondContact O-CB 3.36Å; L450-H453 PolarHBondContact O-N 2.76Å; L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CD2 4.34Å; L450-L454 HydrophobicContact CD1-CG 3.9Å; L450-L454 HydrophobicContact CD2-CD1 4.21Å; L450-L454 HydrophobicContact CG-CD1 3.84Å; L450-L454 HydrophobicContact CG-CG 4.11Å; L450-L454 WeakPolarHBondContact O-CG 3.35Å; L450-L454 PolarHBondContact O-N 2.72Å
451	D	69.4	Low	60.5	Low	91 Å²	91	71.8 Å²	71.8	49%	0.487	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-45.9	-177.5	-70	-35.7	0	0	0	110.9	S447 E448 H453 L454 E455	S447-D451 PolarHBondContact O-N 2.84Å; E448-D451 PolarHBondContact O-N 2.99Å; D451-H453 PolarHBondContact O-N 3.38Å; D451-L454 PolarHBondContact O-N 2.78Å; D451-E455 WeakPolarHBondContact O-CG 3.5Å; D451-E455 PolarHBondContact O-N 2.7Å
452	G	69.1	Low	61.2	Low	40 Å²	40	74.3 Å²	74.3	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-19.2	170.4	0	0	0	0	0	114.2	E448	E448-G452 PolarHBondContact O-N 2.88Å
453	H	70.3	Confident	61.7	Low	31 Å²	31	73.4 Å²	73.4	14%	0.144	40%	0.397	C	S	.	.	H	α-helix	trans	-87.8	-27.3	170.3	178.6	87.2	0	0	0	113.5	C437 C440 F444 D449 L450 D451 S456 H457	C437-H453 VanDerWaalsContact CB-CD2 3.47Å; C437-H453 WeakPolarHBondContact CB-CD2 3.17Å; C437-H453 WeakPolarHBondContact CB-NE2 3.21Å; C437-H453 PolarHBondContact SG-CD2 3.23Å; C437-H453 PolarHBondContact SG-NE2 3.04Å; C437-H453 VanDerWaalsContact SG-NE2 3.35Å; C440-H453 PolarHBondContact SG-NE2 3.46Å; C440-H453 VanDerWaalsContact SG-NE2 3.39Å; F444-H453 HydrophobicContact CE1-CB 4.01Å; F444-H453 HydrophobicContact CE2-CB 3.94Å; F444-H453 AromaticContact CE2-CD2 3.32Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.28Å; F444-H453 AromaticContact CE2-CE1 3.93Å; F444-H453 AromaticContact CE2-CG 3.43Å; F444-H453 VanDerWaalsContact CE2-CG 3.43Å; F444-H453 AromaticContact CE2-ND1 3.84Å; F444-H453 AromaticContact CE2-NE2 3.67Å; F444-H453 HydrophobicContact CZ-CB 3.69Å; F444-H453 AromaticContact CZ-CD2 3.61Å; F444-H453 AromaticContact CZ-CE1 3.6Å; F444-H453 AromaticContact CZ-CG 3.23Å; F444-H453 AromaticContact CZ-ND1 3.26Å; F444-H453 VanDerWaalsContact CZ-ND1 3.26Å; F444-H453 WeakPolarHBondContact CZ-ND1 3.31Å; F444-H453 AromaticContact CZ-NE2 3.83Å; D449-H453 WeakPolarHBondContact O-CB 3.35Å; D449-H453 PolarHBondContact O-N 3.33Å; D449-H453 VanDerWaalsContact O-N 3.14Å; L450-H453 CarbonylContact O-C 3.55Å; L450-H453 WeakPolarHBondContact O-CA 3.23Å; L450-H453 WeakPolarHBondContact O-CB 3.36Å; L450-H453 PolarHBondContact O-N 2.76Å; D451-H453 PolarHBondContact O-N 3.38Å; H453-S456 VanDerWaalsContact C-N 3.33Å; H453-S456 VanDerWaalsContact O-CA 3.24Å; H453-S456 WeakPolarHBondContact O-CA 3.32Å; H453-S456 WeakPolarHBondContact O-CB 3.4Å; H453-S456 PolarHBondContact O-N 3.18Å; H453-S456 PolarHBondContact O-OG 2.67Å; H453-H457 AromaticContact CD2-CD2 3.92Å; H453-H457 AromaticContact CD2-NE2 3.59Å; H453-H457 AromaticContact CE1-NE2 3.54Å; H453-H457 AromaticContact NE2-CD2 3.72Å; H453-H457 AromaticContact NE2-CE1 3.98Å; H453-H457 AromaticContact NE2-NE2 2.92Å; H453-H457 PolarHBondContact NE2-NE2 3.05Å; H453-H457 PolarHBondContact O-CD2 2.76Å; H453-H457 PolarHBondContact O-N 3.26Å
454	L	56.9	Low	61.5	Low	46 Å²	46	78 Å²	78	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-75	-38.2	172.2	-70.8	172	0	0	0	110.9	V439 L450 D451 S456 H457 E458	V439-L454 HydrophobicContact CG2-CD2 4.49Å; L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CD2 4.34Å; L450-L454 HydrophobicContact CD1-CG 3.9Å; L450-L454 HydrophobicContact CD2-CD1 4.21Å; L450-L454 HydrophobicContact CG-CD1 3.84Å; L450-L454 HydrophobicContact CG-CG 4.11Å; L450-L454 WeakPolarHBondContact O-CG 3.35Å; L450-L454 PolarHBondContact O-N 2.72Å; D451-L454 PolarHBondContact O-N 2.78Å; L454-S456 PolarHBondContact O-N 3.44Å; L454-H457 PolarHBondContact O-N 3.25Å; L454-E458 PolarHBondContact O-N 2.92Å
455	E	63.8	Low	61.4	Low	120 Å²	120	76.5 Å²	76.5	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-55.6	-14.5	158.3	-70.2	-171.1	170.6	0	0	112.9	D451 R473	D451-E455 WeakPolarHBondContact O-CG 3.5Å; D451-E455 PolarHBondContact O-N 2.7Å; E455-R473 VanDerWaalsContact O-CD 3.27Å; E455-R473 WeakPolarHBondContact O-CD 3.35Å; E455-R473 PolarHBondContact O-NE 2.8Å
456	S	55.8	Low	61.2	Low	31 Å²	31	78.2 Å²	78.2	22%	0.217	43%	0.427	C	S	.	.	H	α-helix	trans	-80	-31.5	173.6	105.5	0	0	0	0	113.7	H453 L454 R473	H453-S456 VanDerWaalsContact C-N 3.33Å; H453-S456 VanDerWaalsContact O-CA 3.24Å; H453-S456 WeakPolarHBondContact O-CA 3.32Å; H453-S456 WeakPolarHBondContact O-CB 3.4Å; H453-S456 PolarHBondContact O-N 3.18Å; H453-S456 PolarHBondContact O-OG 2.67Å; L454-S456 PolarHBondContact O-N 3.44Å; S456-R473 VanDerWaalsContact CA-NH2 3.29Å; S456-R473 PolarHBondContact O-NH2 3.29Å
457	H	54.5	Low	60.8	Low	67 Å²	67	80 Å²	80	31%	0.31	45%	0.448	S	S	.	.	H	α-helix	trans	-88.9	-42	177.6	-64.5	-71.6	0	0	0	112.4	C437 V439 C440 H453 L454 A459	C437-H457 PolarHBondContact SG-CD2 3Å; C437-H457 PolarHBondContact SG-NE2 3.12Å; V439-H457 HydrophobicContact CB-CB 4.12Å; V439-H457 HydrophobicContact CG1-CB 3.93Å; V439-H457 WeakPolarHBondContact CG1-ND1 3.45Å; V439-H457 HydrophobicContact CG2-CB 4.03Å; C440-H457 PolarHBondContact SG-CE1 3.28Å; C440-H457 PolarHBondContact SG-NE2 3.3Å; C440-H457 VanDerWaalsContact SG-NE2 3.41Å; H453-H457 AromaticContact CD2-CD2 3.92Å; H453-H457 AromaticContact CD2-NE2 3.59Å; H453-H457 AromaticContact CE1-NE2 3.54Å; H453-H457 AromaticContact NE2-CD2 3.72Å; H453-H457 AromaticContact NE2-CE1 3.98Å; H453-H457 AromaticContact NE2-NE2 2.92Å; H453-H457 PolarHBondContact NE2-NE2 3.05Å; H453-H457 PolarHBondContact O-CD2 2.76Å; H453-H457 PolarHBondContact O-N 3.26Å; L454-H457 PolarHBondContact O-N 3.25Å; H457-A459 PolarHBondContact O-N 2.9Å; H457-A459 VanDerWaalsContact O-N 3.16Å
458	E	49	Very low	60.3	Low	95 Å²	95	79.8 Å²	79.8	44%	0.444	45%	0.445	S	S	.	.	S	Bend	trans	-63.2	113.5	167.2	-65.1	-84.7	112.4	0	0	107.8	K224 L454 Q460	K224-E458 IonicContact NZ-OE1 2.64Å; K224-E458 PolarHBondContact NZ-OE1 3.2Å; K224-E458 IonicContact NZ-OE2 2.82Å; K224-E458 PolarHBondContact NZ-OE2 3.41Å; L454-E458 PolarHBondContact O-N 2.92Å; E458-Q460 PolarHBondContact O-N 2.79Å
459	A	52.4	Low	59.1	Low	88 Å²	88	73.9 Å²	73.9	73%	0.727	43%	0.427	S	S	*	.			trans	-72.3	20.2	-174.6	0	0	0	0	0	114.5	H457 K461	H457-A459 PolarHBondContact O-N 2.9Å; H457-A459 VanDerWaalsContact O-N 3.16Å; A459-K461 PolarHBondContact O-N 3.44Å; A459-K461 VanDerWaalsContact O-N 3.1Å
460	Q	48	Very low	58.6	Low	145 Å²	145	75.1 Å²	75.1	68%	0.678	43%	0.428	S	S	*	.			trans	-60.9	109.9	172.2	-71.4	-67.4	9.9	0	0	109.6	E458	E458-Q460 PolarHBondContact O-N 2.79Å
461	K	58.4	Low	58	Low	90 Å²	90	75.7 Å²	75.7	39%	0.391	43%	0.433	S	S	.	.			trans	-131.7	75.9	-178.6	-75.1	168.5	148.4	-137.9	0	107.1	A459 Y463 S471 F472 R473	A459-K461 PolarHBondContact O-N 3.44Å; A459-K461 VanDerWaalsContact O-N 3.1Å; K461-Y463 PolarHBondContact O-N 2.9Å; K461-S471 WeakPolarHBondContact CD-O 3.22Å; K461-S471 PolarHBondContact NZ-O 3.25Å; K461-S471 VanDerWaalsContact O-CB 3.31Å; K461-S471 WeakPolarHBondContact O-CB 3.4Å; K461-F472 CarbonylContact C-O 3.19Å; K461-F472 WeakPolarHBondContact CA-O 3.35Å; K461-R473 HydrophobicContact CG-CG 3.96Å
462	P	55.9	Low	58	Low	91 Å²	91	73.5 Å²	73.5	59%	0.591	42%	0.42	S	S	*	.			trans	-62.1	-32.6	-170.3	21.3	-31.5	0	0	0	112.3	R464	P462-R464 PolarHBondContact O-N 3.45Å
463	Y	58.6	Low	57.5	Low	91 Å²	91	76.6 Å²	76.6	36%	0.357	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	84.3	-176.5	-55.1	-74.5	0	0	0	111.7	K461 F472 R473 L474 N475	K461-Y463 PolarHBondContact O-N 2.9Å; Y463-F472 PolarHBondContact N-O 3.34Å; Y463-F472 WeakPolarHBondContact O-CD2 3.3Å; Y463-F472 PolarHBondContact O-N 2.9Å; Y463-R473 VanDerWaalsContact CD2-O 3.27Å; Y463-R473 WeakPolarHBondContact CD2-O 3.27Å; Y463-R473 VanDerWaalsContact CE2-O 3.23Å; Y463-R473 WeakPolarHBondContact CE2-O 3.47Å; Y463-L474 VanDerWaalsContact CD2-C 3.45Å; Y463-N475 HydrophobicContact CD1-CB 3.66Å; Y463-N475 HydrophobicContact CE1-CB 3.55Å; Y463-N475 HydrophobicContact CE2-CB 4.43Å; Y463-N475 HydrophobicContact CG-CB 4.17Å
464	R	52.9	Low	57.3	Low	167 Å²	167	79.6 Å²	79.6	63%	0.63	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.9	178.5	-161.4	170.6	-156.1	-179.7	5.1	113	P462 G469 S471	P462-R464 PolarHBondContact O-N 3.45Å; R464-G469 PolarHBondContact NE-O 3.24Å; R464-G469 VanDerWaalsContact NE-O 3.09Å; R464-S471 WeakPolarHBondContact CG-OG 3.32Å
465	C	68.6	Low	57.5	Low	2 Å²	2	81 Å²	81	1%	0.014	44%	0.443	C	S	.	.			trans	-90.3	108.7	173.7	-168.6	0	0	0	0	110.9	A467 C468 G469 K470 F472 L478 H485	C465-A467 PolarHBondContact O-N 3.48Å; C465-C468 PolarHBondContact O-N 2.91Å; C465-G469 WeakPolarHBondContact O-CA 3.5Å; C465-G469 PolarHBondContact O-N 3.45Å; C465-K470 WeakPolarHBondContact CB-O 3.48Å; C465-K470 PolarHBondContact N-O 3.46Å; C465-F472 HydrophobicContact CB-CE2 4.34Å; C465-L478 HydrophobicContact CB-CD1 3.53Å; C465-H485 VanDerWaalsContact SG-CD2 3.56Å; C465-H485 PolarHBondContact SG-NE2 2.74Å
466	G	55.6	Low	57.7	Low	79 Å²	79	78.5 Å²	78.5	81%	0.814	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.2	179.7	0	0	0	0	0	114.2	C468	G466-C468 VanDerWaalsContact C-N 3.31Å; G466-C468 PolarHBondContact O-N 3.31Å
467	A	60.4	Low	58.3	Low	77 Å²	77	82.1 Å²	82.1	64%	0.636	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.6	-178.5	0	0	0	0	0	115.1	C465 H485	C465-A467 PolarHBondContact O-N 3.48Å; A467-H485 HydrophobicContact CB-CB 4.41Å
468	C	57	Low	59	Low	52 Å²	52	79.2 Å²	79.2	35%	0.351	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	6	-175.2	72.4	0	0	0	0	115.6	C465 G466 K470 H481 H485	C465-C468 PolarHBondContact O-N 2.91Å; G466-C468 VanDerWaalsContact C-N 3.31Å; G466-C468 PolarHBondContact O-N 3.31Å; C468-K470 PolarHBondContact O-N 3.24Å; C468-K470 VanDerWaalsContact SG-CG 3.6Å; C468-H481 PolarHBondContact SG-NE2 3.3Å; C468-H485 PolarHBondContact SG-NE2 2.77Å
469	G	47	Very low	60.2	Low	34 Å²	34	79.2 Å²	79.2	35%	0.351	44%	0.442	S	S	.	.			trans	68.9	-7.4	-179.9	0	0	0	0	0	116.3	R464 C465	R464-G469 PolarHBondContact NE-O 3.24Å; R464-G469 VanDerWaalsContact NE-O 3.09Å; C465-G469 WeakPolarHBondContact O-CA 3.5Å; C465-G469 PolarHBondContact O-N 3.45Å
470	K	55.3	Low	61.2	Low	121 Å²	121	77.5 Å²	77.5	53%	0.526	42%	0.424	S	S	.	.			trans	-67	134.7	-179	-67.7	178	-176.8	173.1	0	111.4	C465 C468 F472	C465-K470 WeakPolarHBondContact CB-O 3.48Å; C465-K470 PolarHBondContact N-O 3.46Å; C468-K470 PolarHBondContact O-N 3.24Å; C468-K470 VanDerWaalsContact SG-CG 3.6Å; K470-F472 HydrophobicContact CB-CE2 3.9Å; K470-F472 HydrophobicContact CB-CZ 4.11Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å
471	S	59.8	Low	62.5	Low	31 Å²	31	71.4 Å²	71.4	22%	0.217	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.7	-178.4	-47.4	0	0	0	0	113.1	K461 R464	K461-S471 WeakPolarHBondContact CD-O 3.22Å; K461-S471 PolarHBondContact NZ-O 3.25Å; K461-S471 VanDerWaalsContact O-CB 3.31Å; K461-S471 WeakPolarHBondContact O-CB 3.4Å; R464-S471 WeakPolarHBondContact CG-OG 3.32Å
472	F	69.5	Low	62.8	Low	46 Å²	46	73.1 Å²	73.1	20%	0.202	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	153.5	-175.4	-57.6	-92.1	0	0	0	110.4	K461 Y463 C465 K470 H477 L478 H481	K461-F472 CarbonylContact C-O 3.19Å; K461-F472 WeakPolarHBondContact CA-O 3.35Å; Y463-F472 PolarHBondContact N-O 3.34Å; Y463-F472 WeakPolarHBondContact O-CD2 3.3Å; Y463-F472 PolarHBondContact O-N 2.9Å; C465-F472 HydrophobicContact CB-CE2 4.34Å; K470-F472 HydrophobicContact CB-CE2 3.9Å; K470-F472 HydrophobicContact CB-CZ 4.11Å; K470-F472 WeakPolarHBondContact O-CE2 3.48Å; F472-H477 HydrophobicContact CB-CB 4.2Å; F472-H477 HydrophobicContact CD1-CB 3.99Å; F472-H477 HydrophobicContact CG-CB 4.37Å; F472-L478 HydrophobicContact CB-CB 4.41Å; F472-L478 HydrophobicContact CD2-CB 4.13Å; F472-L478 HydrophobicContact CD2-CD1 4.07Å; F472-L478 HydrophobicContact CE2-CD1 4.34Å; F472-L478 HydrophobicContact CG-CB 4.45Å; F472-H481 HydrophobicContact CE1-CB 4.04Å; F472-H481 HydrophobicContact CE2-CB 3.96Å; F472-H481 AromaticContact CE2-CD2 3.34Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.25Å; F472-H481 AromaticContact CE2-CG 3.78Å; F472-H481 HydrophobicContact CZ-CB 3.56Å; F472-H481 AromaticContact CZ-CD2 3.3Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.25Å; F472-H481 AromaticContact CZ-CG 3.33Å
473	R	57	Low	63.4	Low	104 Å²	104	76.8 Å²	76.8	39%	0.392	40%	0.402	S	S	.	.	S	Bend	trans	-82.2	-25.9	177.2	-60.6	-168.7	-161.6	111.5	1.8	113.7	E455 S456 K461 Y463	E455-R473 VanDerWaalsContact O-CD 3.27Å; E455-R473 WeakPolarHBondContact O-CD 3.35Å; E455-R473 PolarHBondContact O-NE 2.8Å; S456-R473 VanDerWaalsContact CA-NH2 3.29Å; S456-R473 PolarHBondContact O-NH2 3.29Å; K461-R473 HydrophobicContact CG-CG 3.96Å; Y463-R473 VanDerWaalsContact CD2-O 3.27Å; Y463-R473 WeakPolarHBondContact CD2-O 3.27Å; Y463-R473 VanDerWaalsContact CE2-O 3.23Å; Y463-R473 WeakPolarHBondContact CE2-O 3.47Å
474	L	66.8	Low	63.5	Low	94 Å²	94	77.9 Å²	77.9	49%	0.492	41%	0.413	S	S	.	.	S	Bend	trans	-121	141.9	-180	-64.3	173.7	0	0	0	110.9	Y463 S476 H477 L478	Y463-L474 VanDerWaalsContact CD2-C 3.45Å; L474-S476 VanDerWaalsContact C-N 3.33Å; L474-S476 PolarHBondContact O-N 3.3Å; L474-H477 PolarHBondContact O-N 3.21Å; L474-L478 PolarHBondContact O-N 3.04Å
475	N	61	Low	63.9	Low	75 Å²	75	73.1 Å²	73.1	40%	0.401	40%	0.398	S	S	.	.	H	α-helix	trans	-62.4	-39.6	178.9	-162.7	7.5	0	0	0	111.8	Y463 H477 L478 L479	Y463-N475 HydrophobicContact CD1-CB 3.66Å; Y463-N475 HydrophobicContact CE1-CB 3.55Å; Y463-N475 HydrophobicContact CE2-CB 4.43Å; Y463-N475 HydrophobicContact CG-CB 4.17Å; N475-H477 PolarHBondContact O-N 3.31Å; N475-L478 CarbonylContact O-C 3.58Å; N475-L478 WeakPolarHBondContact O-CA 3.37Å; N475-L478 WeakPolarHBondContact O-CB 3.28Å; N475-L478 PolarHBondContact O-N 3.41Å; N475-L479 WeakPolarHBondContact O-CG 3.31Å; N475-L479 PolarHBondContact O-N 3.44Å
476	S	68.9	Low	63.4	Low	69 Å²	69	79.9 Å²	79.9	48%	0.483	43%	0.433	S	S	.	.	H	α-helix	trans	-53.5	-40.1	174	55.5	0	0	0	0	112.8	L474 S480	L474-S476 VanDerWaalsContact C-N 3.33Å; L474-S476 PolarHBondContact O-N 3.3Å; S476-S480 VanDerWaalsContact O-CB 3.3Å; S476-S480 WeakPolarHBondContact O-CB 3.36Å; S476-S480 PolarHBondContact O-N 2.99Å
477	H	66.9	Low	63.3	Low	106 Å²	106	84.5 Å²	84.5	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-71.4	-36.1	176	-65.6	160.5	0	0	0	112.7	F472 L474 N475 H481	F472-H477 HydrophobicContact CB-CB 4.2Å; F472-H477 HydrophobicContact CD1-CB 3.99Å; F472-H477 HydrophobicContact CG-CB 4.37Å; L474-H477 PolarHBondContact O-N 3.21Å; N475-H477 PolarHBondContact O-N 3.31Å; H477-H481 VanDerWaalsContact O-CB 3.26Å; H477-H481 WeakPolarHBondContact O-CB 3.14Å; H477-H481 PolarHBondContact O-N 3.42Å
478	L	69.8	Low	62.5	Low	7 Å²	7	86.1 Å²	86.1	4%	0.037	44%	0.437	C	S	.	.	H	α-helix	trans	-64.3	-47	171.1	170.5	62.4	0	0	0	111.5	C465 F472 L474 N475 H481 R482	C465-L478 HydrophobicContact CB-CD1 3.53Å; F472-L478 HydrophobicContact CB-CB 4.41Å; F472-L478 HydrophobicContact CD2-CB 4.13Å; F472-L478 HydrophobicContact CD2-CD1 4.07Å; F472-L478 HydrophobicContact CE2-CD1 4.34Å; F472-L478 HydrophobicContact CG-CB 4.45Å; L474-L478 PolarHBondContact O-N 3.04Å; N475-L478 CarbonylContact O-C 3.58Å; N475-L478 WeakPolarHBondContact O-CA 3.37Å; N475-L478 WeakPolarHBondContact O-CB 3.28Å; N475-L478 PolarHBondContact O-N 3.41Å; L478-H481 CarbonylContact O-C 3.49Å; L478-H481 WeakPolarHBondContact O-CB 3.23Å; L478-H481 PolarHBondContact O-N 3.21Å; L478-R482 HydrophobicContact CD1-CG 4.21Å; L478-R482 WeakPolarHBondContact O-CG 3.27Å; L478-R482 PolarHBondContact O-N 3.12Å
479	L	74.3	Confident	61.4	Low	94 Å²	94	90.2 Å²	90.2	49%	0.492	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-46	178.6	-68	172.8	0	0	0	111.2	N475 H481 R482 R483	N475-L479 WeakPolarHBondContact O-CG 3.31Å; N475-L479 PolarHBondContact O-N 3.44Å; L479-H481 VanDerWaalsContact C-N 3.29Å; L479-H481 PolarHBondContact O-N 2.81Å; L479-R482 PolarHBondContact O-N 2.98Å; L479-R483 PolarHBondContact O-N 3.11Å
480	S	72.7	Confident	60.6	Low	52 Å²	52	98.2 Å²	98.2	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-39.7	174.1	-166.3	0	0	0	0	111.8	S476 R483	S476-S480 VanDerWaalsContact O-CB 3.3Å; S476-S480 WeakPolarHBondContact O-CB 3.36Å; S476-S480 PolarHBondContact O-N 2.99Å; S480-R483 PolarHBondContact OG-NH2 3.25Å
481	H	75.6	Confident	59.8	Low	17 Å²	17	101 Å²	101	8%	0.079	50%	0.495	C	S	.	.	H	α-helix	trans	-67.7	-37.6	174.9	178.8	48.4	0	0	0	113.7	C468 F472 H477 L478 L479 R483 I484 H485	C468-H481 PolarHBondContact SG-NE2 3.3Å; F472-H481 HydrophobicContact CE1-CB 4.04Å; F472-H481 HydrophobicContact CE2-CB 3.96Å; F472-H481 AromaticContact CE2-CD2 3.34Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.25Å; F472-H481 AromaticContact CE2-CG 3.78Å; F472-H481 HydrophobicContact CZ-CB 3.56Å; F472-H481 AromaticContact CZ-CD2 3.3Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.25Å; F472-H481 AromaticContact CZ-CG 3.33Å; H477-H481 VanDerWaalsContact O-CB 3.26Å; H477-H481 WeakPolarHBondContact O-CB 3.14Å; H477-H481 PolarHBondContact O-N 3.42Å; L478-H481 CarbonylContact O-C 3.49Å; L478-H481 WeakPolarHBondContact O-CB 3.23Å; L478-H481 PolarHBondContact O-N 3.21Å; L479-H481 VanDerWaalsContact C-N 3.29Å; L479-H481 PolarHBondContact O-N 2.81Å; H481-R483 PolarHBondContact O-N 3.12Å; H481-I484 WeakPolarHBondContact O-CB 3.26Å; H481-I484 WeakPolarHBondContact O-CG1 3.11Å; H481-I484 PolarHBondContact O-N 2.92Å; H481-H485 AromaticContact CD2-NE2 3.73Å; H481-H485 AromaticContact CE1-CE1 3.77Å; H481-H485 AromaticContact CE1-NE2 3.44Å; H481-H485 PolarHBondContact CE1-NE2 3.02Å; H481-H485 AromaticContact NE2-CE1 3.63Å; H481-H485 AromaticContact NE2-NE2 3Å; H481-H485 PolarHBondContact NE2-NE2 2.92Å
482	R	64.7	Low	58.2	Low	127 Å²	127	106.7 Å²	106.7	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-57.2	-33.1	178.4	-77.5	-178.1	-177.3	-157.6	1.6	112.1	L478 L479 I484 H485	L478-R482 HydrophobicContact CD1-CG 4.21Å; L478-R482 WeakPolarHBondContact O-CG 3.27Å; L478-R482 PolarHBondContact O-N 3.12Å; L479-R482 PolarHBondContact O-N 2.98Å; R482-I484 PolarHBondContact O-N 3.49Å; R482-I484 VanDerWaalsContact O-N 3.17Å; R482-H485 PolarHBondContact O-N 2.89Å
483	R	69.7	Low	56.8	Low	167 Å²	167	110 Å²	110	63%	0.63	54%	0.544	S	S	*	.	H	α-helix	trans	-58.4	-25.2	174.4	-61.6	-173.7	-69.1	-167.4	-4.3	113.9	L479 S480 H481 L486	L479-R483 PolarHBondContact O-N 3.11Å; S480-R483 PolarHBondContact OG-NH2 3.25Å; H481-R483 PolarHBondContact O-N 3.12Å; R483-L486 PolarHBondContact O-N 3.34Å
484	I	60.3	Low	55.3	Low	115 Å²	115	111 Å²	111	59%	0.59	56%	0.562	S	S	*	*	H	α-helix	trans	-72.4	-30.4	178	-52.7	-177.7	0	0	0	111.3	H481 R482 L486	H481-I484 WeakPolarHBondContact O-CB 3.26Å; H481-I484 WeakPolarHBondContact O-CG1 3.11Å; H481-I484 PolarHBondContact O-N 2.92Å; R482-I484 PolarHBondContact O-N 3.49Å; R482-I484 VanDerWaalsContact O-N 3.17Å; I484-L486 VanDerWaalsContact C-N 3.3Å
485	H	60.8	Low	53.9	Low	67 Å²	67	115 Å²	115	31%	0.31	58%	0.578	S	S	.	*	H	α-helix	trans	-79.1	-15	175.7	-55.7	-57.9	0	0	0	113.1	C465 A467 C468 H481 R482 Q487	C465-H485 VanDerWaalsContact SG-CD2 3.56Å; C465-H485 PolarHBondContact SG-NE2 2.74Å; A467-H485 HydrophobicContact CB-CB 4.41Å; C468-H485 PolarHBondContact SG-NE2 2.77Å; H481-H485 AromaticContact CD2-NE2 3.73Å; H481-H485 AromaticContact CE1-CE1 3.77Å; H481-H485 AromaticContact CE1-NE2 3.44Å; H481-H485 PolarHBondContact CE1-NE2 3.02Å; H481-H485 AromaticContact NE2-CE1 3.63Å; H481-H485 AromaticContact NE2-NE2 3Å; H481-H485 PolarHBondContact NE2-NE2 2.92Å; R482-H485 PolarHBondContact O-N 2.89Å; H485-Q487 VanDerWaalsContact C-N 3.27Å
486	L	57.4	Low	52.3	Low	143 Å²	143	120.7 Å²	120.7	75%	0.749	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	2.6	174.8	-64.6	173.9	0	0	0	113.2	R483 I484	R483-L486 PolarHBondContact O-N 3.34Å; I484-L486 VanDerWaalsContact C-N 3.3Å
487	Q	55.1	Low	50.5	Low	176 Å²	176	127.4 Å²	127.4	82%	0.822	61%	0.614	S	S	*	*			trans	-121.9	84.8	169.7	-71.3	-165.9	-25.2	0	0	113.2	H485	H485-Q487 VanDerWaalsContact C-N 3.27Å
488	P	43.4	Very low	49	Very low	112 Å²	112	131.5 Å²	131.5	73%	0.727	63%	0.633	S	S	*	*			trans	-134.1	79.1	160.6	37.9	-20.5	0	0	0	112.9
489	D	32.9	Very low	47.1	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	67%	0.669	S	S	*	*			trans	-152.9	166.6	148.7	-166.8	22.7	0	0	0	111
490	R	30.1	Very low	44.9	Very low	203 Å²	203	143.7 Å²	143.7	77%	0.766	69%	0.687	S	S	*	*			trans	76.3	44.2	173.6	-52.7	-77.7	166.5	132.2	-2.7	116.1	Q492	R490-Q492 PolarHBondContact O-N 3.16Å
491	L	39	Very low	42.9	Very low	178 Å²	178	145.5 Å²	145.5	93%	0.932	71%	0.705	S	S	*	*			trans	-78.4	95.9	135	-78.2	179.2	0	0	0	108.6
492	Q	26.4	Very low	40.7	Very low	151 Å²	151	149.2 Å²	149.2	71%	0.706	73%	0.733	S	S	*	*			trans	-110.4	110.1	163.2	-84.5	-75.4	-18.9	0	0	107.5	R490 V494	R490-Q492 PolarHBondContact O-N 3.16Å; Q492-V494 PolarHBondContact O-N 3.1Å
493	P	39.5	Very low	39.2	Very low	115 Å²	115	151.3 Å²	151.3	75%	0.747	75%	0.749	S	S	*	*			trans	-76.2	116.8	177.5	29	-29.8	0	0	0	109.7
494	V	26.8	Very low	37.2	Very low	126 Å²	126	151 Å²	151	76%	0.764	76%	0.759	S	S	*	*			trans	-108.1	103	168.4	-179.8	0	0	0	0	108.2	Q492	Q492-V494 PolarHBondContact O-N 3.1Å
495	E	36.3	Very low	35.9	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	77%	0.766	S	S	*	*			trans	-69.4	126.5	168	-60.5	-178.1	146.1	0	0	110.1
496	K	28.9	Very low	34.5	Very low	193 Å²	193	154 Å²	154	84%	0.839	79%	0.791	S	S	*	*			trans	166.9	142.5	156.1	-92.5	146.5	-169.3	176.3	0	108.8
497	R	29.8	Very low	33.2	Very low	210 Å²	210	156.1 Å²	156.1	79%	0.792	80%	0.797	S	S	*	*			cis	-162.5	140.1	-26.9	-152.9	-178.5	-159.9	173.4	4.5	105.4
498	E	36.1	Very low	32.1	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	79%	0.787	S	S	*	*			trans	-73	131.5	168.9	-66.5	173.8	139.7	0	0	109.1
499	Q	29.9	Very low	32	Very low	168 Å²	168	151.1 Å²	151.1	79%	0.785	79%	0.791	S	S	*	*			trans	-161.4	156.8	167.6	-115.7	166	-20.2	0	0	110
500	E	28.5	Very low	32	Very low	188 Å²	188	154.5 Å²	154.5	88%	0.879	80%	0.799	S	S	*	*			trans	-116.1	162.7	-153.8	-57.8	169.6	116.8	0	0	114.2
501	A	29.1	Very low	32.1	Very low	90 Å²	90	152.7 Å²	152.7	74%	0.744	80%	0.799	S	S	*	*			trans	80.4	148.9	146	0	0	0	0	0	123.3
502	S	29.7	Very low	32.2	Very low	95 Å²	95	149.8 Å²	149.8	66%	0.664	79%	0.791	S	S	*	*			trans	73.9	118.7	145.9	47.2	0	0	0	0	123.4
503	E	32.8	Very low	32.4	Very low	172 Å²	172	149 Å²	149	80%	0.804	79%	0.791	S	S	*	*				85.5	96.9	125.7	-69.5	160.6	-142.5	0	0	122.4
504	D	29.3	Very low	32.5	Very low	160 Å²	160	151.5 Å²	151.5	86%	0.856	79%	0.792	S	S	*	*				79.6	161.5	119.4	-87.2	-65.7	0	0	0	125.5
505	A	32.7	Very low	32.7	Very low	89 Å²	89	153 Å²	153	74%	0.736	80%	0.797	S	S	*	*			trans	79.3	85	166.9	0	0	0	0	0	120.8
506	D	30.1	Very low	33.1	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	79%	0.791	S	S	*	*				27.4	112.4	121.1	-166.1	28.9	0	0	0	121.2
507	E	31.2	Very low	33.6	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	79%	0.791	S	S	*	*				-168.3	165.7	118.1	-127.6	-167.9	-166.1	0	0	111.7
508	G	30.8	Very low	34.3	Very low	59 Å²	59	142.3 Å²	142.3	61%	0.608	79%	0.791	S	S	*	*			trans	-157.1	-170.1	169.3	0	0	0	0	0	111.3
509	P	42.7	Very low	35.3	Very low	123 Å²	123	139.8 Å²	139.8	80%	0.799	78%	0.776	S	S	*	*			cis	-125.6	143.4	-7.6	37.8	-23.5	0	0	0	113.3
510	K	32.6	Very low	36.5	Very low	209 Å²	209	138.3 Å²	138.3	91%	0.909	77%	0.773	S	S	*	*			trans	-144	94.6	169.5	-69.4	-172.9	-178.6	167.1	0	113.6
511	E	32.9	Very low	38.5	Very low	165 Å²	165	132.7 Å²	132.7	77%	0.771	76%	0.755	S	S	*	*			trans	-55.8	147	145.4	-86.8	-66.1	147.5	0	0	109.3	L513	E511-L513 PolarHBondContact OE2-N 3.41Å
512	P	39.6	Very low	40.7	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	74%	0.737	S	S	*	*				-148.4	147.6	69.3	40.6	-21.7	0	0	0	118.9
513	L	30.4	Very low	42.6	Very low	135 Å²	135	133.6 Å²	133.6	71%	0.707	73%	0.732	S	S	*	*			trans	84.1	95.4	138.7	-143.7	75.4	0	0	0	119.2	E511	E511-L513 PolarHBondContact OE2-N 3.41Å
514	E	42.6	Very low	44.5	Very low	167 Å²	167	125.5 Å²	125.5	78%	0.78	69%	0.694	S	S	*	*			trans	40.7	124.2	135.6	-55.3	-165.6	117.8	0	0	121.4
515	N	31.3	Very low	46.4	Very low	159 Å²	159	122.3 Å²	122.3	85%	0.85	68%	0.684	S	S	*	*				-150.2	114.2	112.5	-135.2	-61.6	0	0	0	112.5	K517	N515-K517 PolarHBondContact O-N 2.72Å
516	G	44.4	Very low	47.7	Very low	70 Å²	70	122.1 Å²	122.1	72%	0.722	67%	0.67	S	S	*	*			trans	-76	119	-172.4	0	0	0	0	0	113.9
517	K	39.2	Very low	49.6	Very low	192 Å²	192	117.3 Å²	117.3	84%	0.835	65%	0.648	S	S	*	*			trans	-126.7	78.9	159.1	-73.1	-173.5	179.3	175.3	0	110.2	N515 K519	N515-K517 PolarHBondContact O-N 2.72Å; K517-K519 PolarHBondContact O-N 3.29Å
518	A	45.2	Very low	51.2	Low	95 Å²	95	110.3 Å²	110.3	79%	0.785	63%	0.626	S	S	*	*			trans	-59.2	95.2	171.4	0	0	0	0	0	109.8	L520	A518-L520 VanDerWaalsContact C-N 3.3Å; A518-L520 PolarHBondContact O-N 3.31Å
519	K	56.5	Low	52.9	Low	139 Å²	139	113.2 Å²	113.2	60%	0.604	62%	0.622	S	S	*	*			trans	-79.3	79.4	-173.1	-169.7	172.1	-176.2	178.2	0	110.2	K517 S521 Q532	K517-K519 PolarHBondContact O-N 3.29Å; K519-S521 PolarHBondContact O-N 3.33Å; K519-Q532 VanDerWaalsContact CE-CD 3.48Å; K519-Q532 VanDerWaalsContact NZ-CD 3.29Å
520	L	54.3	Low	54.2	Low	138 Å²	138	110 Å²	110	72%	0.723	61%	0.606	S	S	*	*			trans	-36	102.1	-177.4	-66.4	174.2	0	0	0	112	A518	A518-L520 VanDerWaalsContact C-N 3.3Å; A518-L520 PolarHBondContact O-N 3.31Å
521	S	71.4	Confident	56.4	Low	70 Å²	70	102.3 Å²	102.3	49%	0.49	57%	0.573	S	S	.	*			trans	-106.1	105.9	-173.1	65.8	0	0	0	0	110	K519 Q523 F531	K519-S521 PolarHBondContact O-N 3.33Å; S521-Q523 PolarHBondContact O-N 3.49Å; S521-F531 CarbonylContact C-O 3.4Å; S521-F531 WeakPolarHBondContact CA-O 3.37Å
522	F	74.8	Confident	58.4	Low	84 Å²	84	100.9 Å²	100.9	37%	0.368	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.4	111.9	-178.6	-59.4	-90	0	0	0	110	F531 H534 L537	F522-F531 PolarHBondContact N-O 3.46Å; F522-F531 PolarHBondContact O-N 3.19Å; F522-H534 HydrophobicContact CD1-CB 4.1Å; F522-H534 AromaticContact CD1-CD2 3.97Å; F522-H534 HydrophobicContact CD2-CB 4.4Å; F522-H534 HydrophobicContact CE1-CB 4.08Å; F522-H534 HydrophobicContact CE2-CB 4.39Å; F522-H534 HydrophobicContact CG-CB 4.26Å; F522-H534 HydrophobicContact CZ-CB 4.22Å; F522-L537 HydrophobicContact CB-CB 4.09Å; F522-L537 HydrophobicContact CB-CD2 3.68Å
523	Q	70.2	Confident	59.8	Low	120 Å²	120	101.8 Å²	101.8	56%	0.561	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.4	146.9	-174	-156.2	175.3	19.8	0	0	113.1	S521 G528 K529 A530 L537 R541	S521-Q523 PolarHBondContact O-N 3.49Å; Q523-G528 VanDerWaalsContact CG-O 3.25Å; Q523-G528 WeakPolarHBondContact CG-O 3.32Å; Q523-G528 PolarHBondContact NE2-O 3.01Å; Q523-K529 CarbonylContact C-O 3.57Å; Q523-K529 WeakPolarHBondContact CA-O 3.3Å; Q523-A530 HydrophobicContact CG-CB 4.44Å; Q523-L537 WeakPolarHBondContact O-CD2 3.22Å; Q523-R541 PolarHBondContact O-NH2 3Å
524	C	72.8	Confident	61.3	Low	1 Å²	1	100.5 Å²	100.5	1%	0.007	55%	0.545	C	S	.	.			trans	-82.9	115.9	171.3	-147	0	0	0	0	110.4	D526 C527 G528 K529 L537 H540 R541 H545	C524-D526 PolarHBondContact O-N 3.32Å; C524-D526 PolarHBondContact SG-OD2 3.07Å; C524-C527 PolarHBondContact O-N 3.19Å; C524-G528 VanDerWaalsContact O-CA 3.29Å; C524-G528 WeakPolarHBondContact O-CA 3.44Å; C524-G528 PolarHBondContact O-N 3.42Å; C524-K529 PolarHBondContact N-O 3.21Å; C524-L537 HydrophobicContact CB-CD1 3.67Å; C524-H540 PolarHBondContact SG-CD2 2.89Å; C524-H540 PolarHBondContact SG-NE2 3.31Å; C524-R541 WeakPolarHBondContact SG-CG 3.29Å; C524-H545 PolarHBondContact SG-CD2 3.39Å; C524-H545 PolarHBondContact SG-NE2 3.09Å; C524-H545 VanDerWaalsContact SG-NE2 3.45Å
525	C	68.4	Low	62.3	Low	94 Å²	94	96.3 Å²	96.3	64%	0.635	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-42	170	39	0	0	0	0	111.3	C527 R541	C525-C527 PolarHBondContact O-N 3Å; C525-R541 PolarHBondContact SG-NH2 3.35Å; C525-R541 VanDerWaalsContact SG-NH2 3.45Å
526	D	61.3	Low	64.4	Low	85 Å²	85	92.2 Å²	92.2	46%	0.455	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.8	-168.9	-19.1	-73.8	0	0	0	114.4	C524 R541 H545	C524-D526 PolarHBondContact O-N 3.32Å; C524-D526 PolarHBondContact SG-OD2 3.07Å; D526-R541 IonicContact OD2-NE 2.81Å; D526-H545 HydrophobicContact CB-CB 4.25Å; D526-H545 IonicContact OD2-CD2 3.11Å; D526-H545 PolarHBondContact OD2-CD2 3.13Å; D526-H545 IonicContact OD2-CG 3.74Å; D526-H545 IonicContact OD2-NE2 3.88Å
527	C	69.9	Low	65.8	Low	56 Å²	56	89.3 Å²	89.3	38%	0.378	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.1	20.5	174.7	74.9	0	0	0	0	116.3	C524 C525 K529 H540 H545	C524-C527 PolarHBondContact O-N 3.19Å; C525-C527 PolarHBondContact O-N 3Å; C527-K529 PolarHBondContact O-N 3.32Å; C527-H540 PolarHBondContact SG-NE2 2.87Å; C527-H545 VanDerWaalsContact SG-CE1 3.59Å; C527-H545 PolarHBondContact SG-NE2 3.43Å; C527-H545 VanDerWaalsContact SG-NE2 3.38Å
528	G	63.3	Low	67.2	Low	40 Å²	40	82.3 Å²	82.3	41%	0.412	45%	0.449	S	S	.	.			trans	68.9	-3.4	174.1	0	0	0	0	0	117.2	Q523 C524 A530	Q523-G528 VanDerWaalsContact CG-O 3.25Å; Q523-G528 WeakPolarHBondContact CG-O 3.32Å; Q523-G528 PolarHBondContact NE2-O 3.01Å; C524-G528 VanDerWaalsContact O-CA 3.29Å; C524-G528 WeakPolarHBondContact O-CA 3.44Å; C524-G528 PolarHBondContact O-N 3.42Å; G528-A530 PolarHBondContact O-N 3.23Å
529	K	67.6	Low	68.3	Low	119 Å²	119	84.2 Å²	84.2	52%	0.517	44%	0.436	S	S	.	.			trans	-70.5	126	-175.9	-70.1	-179.7	-177.2	178.5	0	112.2	Q523 C524 C527 F531	Q523-K529 CarbonylContact C-O 3.57Å; Q523-K529 WeakPolarHBondContact CA-O 3.3Å; C524-K529 PolarHBondContact N-O 3.21Å; C527-K529 PolarHBondContact O-N 3.32Å; K529-F531 HydrophobicContact CB-CE2 3.69Å; K529-F531 HydrophobicContact CB-CZ 3.94Å; K529-F531 WeakPolarHBondContact O-CD2 3.3Å; K529-F531 VanDerWaalsContact O-CE2 3.27Å; K529-F531 WeakPolarHBondContact O-CE2 3.24Å
530	A	70.1	Confident	69.2	Low	57 Å²	57	78.2 Å²	78.2	47%	0.471	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.3	-179	0	0	0	0	0	112.2	Q523 G528	Q523-A530 HydrophobicContact CG-CB 4.44Å; G528-A530 PolarHBondContact O-N 3.23Å
531	F	77.5	Confident	69.8	Low	47 Å²	47	75.9 Å²	75.9	21%	0.206	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138	-176.4	-62.6	-88.6	0	0	0	111.8	S521 F522 K529 R533 H536 L537 H540	S521-F531 CarbonylContact C-O 3.4Å; S521-F531 WeakPolarHBondContact CA-O 3.37Å; F522-F531 PolarHBondContact N-O 3.46Å; F522-F531 PolarHBondContact O-N 3.19Å; K529-F531 HydrophobicContact CB-CE2 3.69Å; K529-F531 HydrophobicContact CB-CZ 3.94Å; K529-F531 WeakPolarHBondContact O-CD2 3.3Å; K529-F531 VanDerWaalsContact O-CE2 3.27Å; K529-F531 WeakPolarHBondContact O-CE2 3.24Å; F531-R533 PolarHBondContact O-N 3.02Å; F531-R533 VanDerWaalsContact O-N 3.11Å; F531-H536 HydrophobicContact CB-CB 4.08Å; F531-H536 HydrophobicContact CD1-CB 3.89Å; F531-H536 HydrophobicContact CG-CB 4.26Å; F531-L537 HydrophobicContact CB-CB 4.23Å; F531-L537 HydrophobicContact CD2-CB 3.92Å; F531-L537 HydrophobicContact CD2-CD1 3.85Å; F531-L537 HydrophobicContact CE2-CD1 4.1Å; F531-L537 HydrophobicContact CG-CB 4.28Å; F531-H540 HydrophobicContact CE1-CB 4.07Å; F531-H540 HydrophobicContact CE2-CB 3.86Å; F531-H540 AromaticContact CE2-CD2 3.35Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.45Å; F531-H540 AromaticContact CE2-CG 3.7Å; F531-H540 HydrophobicContact CZ-CB 3.48Å; F531-H540 VanDerWaalsContact CZ-CB 3.48Å; F531-H540 AromaticContact CZ-CD2 3.48Å; F531-H540 VanDerWaalsContact CZ-CD2 3.48Å; F531-H540 WeakPolarHBondContact CZ-CD2 3.01Å; F531-H540 AromaticContact CZ-CG 3.37Å
532	Q	75.3	Confident	69.3	Low	134 Å²	134	74.6 Å²	74.6	63%	0.626	38%	0.383	S	S	*	.	S	Bend	trans	-73.1	-0.6	-178.2	-56.5	178.5	16.5	0	0	114.1	K519	K519-Q532 VanDerWaalsContact CE-CD 3.48Å; K519-Q532 VanDerWaalsContact NZ-CD 3.29Å
533	R	69.1	Low	68.8	Low	135 Å²	135	75.2 Å²	75.2	51%	0.509	39%	0.387	S	S	.	.	S	Bend	trans	-149.4	141.4	178.9	-69.8	-174.4	61	86	8.3	110.4	F531 D535 H536 L537	F531-R533 PolarHBondContact O-N 3.02Å; F531-R533 VanDerWaalsContact O-N 3.11Å; R533-D535 IonicContact CZ-OD2 2.75Å; R533-D535 IonicContact NE-OD2 2.72Å; R533-D535 PolarHBondContact NE-OD2 2.97Å; R533-D535 IonicContact NH2-OD1 2.8Å; R533-D535 PolarHBondContact NH2-OD1 3.38Å; R533-D535 IonicContact NH2-OD2 2.67Å; R533-D535 PolarHBondContact NH2-OD2 3.42Å; R533-D535 PolarHBondContact O-N 3.11Å; R533-H536 HydrophobicContact CB-CB 4.49Å; R533-H536 PolarHBondContact O-N 3.03Å; R533-H536 VanDerWaalsContact O-N 3.11Å; R533-L537 PolarHBondContact O-N 3.24Å
534	H	62.2	Low	68.1	Low	108 Å²	108	75.2 Å²	75.2	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-57.6	-44.2	176.6	-174	-108.8	0	0	0	112.4	F522 H536 L537 A538	F522-H534 HydrophobicContact CD1-CB 4.1Å; F522-H534 AromaticContact CD1-CD2 3.97Å; F522-H534 HydrophobicContact CD2-CB 4.4Å; F522-H534 HydrophobicContact CE1-CB 4.08Å; F522-H534 HydrophobicContact CE2-CB 4.39Å; F522-H534 HydrophobicContact CG-CB 4.26Å; F522-H534 HydrophobicContact CZ-CB 4.22Å; H534-H536 PolarHBondContact O-N 2.98Å; H534-H536 VanDerWaalsContact O-N 3.14Å; H534-L537 WeakPolarHBondContact O-CA 3.4Å; H534-L537 WeakPolarHBondContact O-CB 3.46Å; H534-L537 PolarHBondContact O-N 3.44Å; H534-A538 PolarHBondContact O-N 2.95Å
535	D	63.2	Low	67.8	Low	79 Å²	79	78.1 Å²	78.1	42%	0.422	40%	0.398	S	S	.	.	H	α-helix	trans	-59.8	-26.7	177.7	6.7	-60.4	0	0	0	113.7	R533 R539	R533-D535 IonicContact CZ-OD2 2.75Å; R533-D535 IonicContact NE-OD2 2.72Å; R533-D535 PolarHBondContact NE-OD2 2.97Å; R533-D535 IonicContact NH2-OD1 2.8Å; R533-D535 PolarHBondContact NH2-OD1 3.38Å; R533-D535 IonicContact NH2-OD2 2.67Å; R533-D535 PolarHBondContact NH2-OD2 3.42Å; R533-D535 PolarHBondContact O-N 3.11Å; D535-R539 VanDerWaalsContact O-CB 3.27Å; D535-R539 WeakPolarHBondContact O-CB 3.37Å; D535-R539 PolarHBondContact O-N 3.27Å
536	H	75.6	Confident	67.6	Low	74 Å²	74	79.8 Å²	79.8	34%	0.343	40%	0.4	S	S	.	.	H	α-helix	trans	-78.5	-36.3	175.7	-66.3	3.7	0	0	0	111.9	F531 R533 H534 H540	F531-H536 HydrophobicContact CB-CB 4.08Å; F531-H536 HydrophobicContact CD1-CB 3.89Å; F531-H536 HydrophobicContact CG-CB 4.26Å; R533-H536 HydrophobicContact CB-CB 4.49Å; R533-H536 PolarHBondContact O-N 3.03Å; R533-H536 VanDerWaalsContact O-N 3.11Å; H534-H536 PolarHBondContact O-N 2.98Å; H534-H536 VanDerWaalsContact O-N 3.14Å; H536-H540 WeakPolarHBondContact O-CB 3.34Å; H536-H540 PolarHBondContact O-N 2.94Å
537	L	73.4	Confident	67.2	Low	8 Å²	8	84.5 Å²	84.5	4%	0.042	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-48.3	169.5	172.6	63.2	0	0	0	111.3	F522 Q523 C524 F531 R533 H534 R539 H540 R541	F522-L537 HydrophobicContact CB-CB 4.09Å; F522-L537 HydrophobicContact CB-CD2 3.68Å; Q523-L537 WeakPolarHBondContact O-CD2 3.22Å; C524-L537 HydrophobicContact CB-CD1 3.67Å; F531-L537 HydrophobicContact CB-CB 4.23Å; F531-L537 HydrophobicContact CD2-CB 3.92Å; F531-L537 HydrophobicContact CD2-CD1 3.85Å; F531-L537 HydrophobicContact CE2-CD1 4.1Å; F531-L537 HydrophobicContact CG-CB 4.28Å; R533-L537 PolarHBondContact O-N 3.24Å; H534-L537 WeakPolarHBondContact O-CA 3.4Å; H534-L537 WeakPolarHBondContact O-CB 3.46Å; H534-L537 PolarHBondContact O-N 3.44Å; L537-R539 PolarHBondContact O-N 3.32Å; L537-H540 WeakPolarHBondContact O-CA 3.31Å; L537-H540 WeakPolarHBondContact O-CB 3.46Å; L537-H540 PolarHBondContact O-N 3.48Å; L537-R541 HydrophobicContact CD1-CG 4.15Å; L537-R541 PolarHBondContact O-N 2.99Å
538	A	68.7	Low	66.3	Low	46 Å²	46	88.9 Å²	88.9	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-59.1	-45.8	179.2	0	0	0	0	0	111.4	H534 H540 R541 S542	H534-A538 PolarHBondContact O-N 2.95Å; A538-H540 VanDerWaalsContact C-N 3.33Å; A538-H540 PolarHBondContact O-N 3.2Å; A538-R541 PolarHBondContact O-N 3.16Å; A538-S542 VanDerWaalsContact O-CB 3.28Å; A538-S542 WeakPolarHBondContact O-CB 3.5Å; A538-S542 PolarHBondContact O-N 3.31Å
539	R	69.2	Low	65.8	Low	135 Å²	135	96.5 Å²	96.5	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-39.4	172.3	-176.6	174.6	61.8	-164.8	-3.9	112.2	D535 L537 H543	D535-R539 VanDerWaalsContact O-CB 3.27Å; D535-R539 WeakPolarHBondContact O-CB 3.37Å; D535-R539 PolarHBondContact O-N 3.27Å; L537-R539 PolarHBondContact O-N 3.32Å; R539-H543 WeakPolarHBondContact O-CB 3.49Å; R539-H543 PolarHBondContact O-N 3.21Å
540	H	74.6	Confident	65.4	Low	13 Å²	13	94.3 Å²	94.3	6%	0.06	46%	0.462	C	S	.	.	H	α-helix	trans	-65.3	-47.8	177	168.8	56.1	0	0	0	112.3	C524 C527 F531 H536 L537 A538 S542 H543 F544 H545	C524-H540 PolarHBondContact SG-CD2 2.89Å; C524-H540 PolarHBondContact SG-NE2 3.31Å; C527-H540 PolarHBondContact SG-NE2 2.87Å; F531-H540 HydrophobicContact CE1-CB 4.07Å; F531-H540 HydrophobicContact CE2-CB 3.86Å; F531-H540 AromaticContact CE2-CD2 3.35Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.45Å; F531-H540 AromaticContact CE2-CG 3.7Å; F531-H540 HydrophobicContact CZ-CB 3.48Å; F531-H540 VanDerWaalsContact CZ-CB 3.48Å; F531-H540 AromaticContact CZ-CD2 3.48Å; F531-H540 VanDerWaalsContact CZ-CD2 3.48Å; F531-H540 WeakPolarHBondContact CZ-CD2 3.01Å; F531-H540 AromaticContact CZ-CG 3.37Å; H536-H540 WeakPolarHBondContact O-CB 3.34Å; H536-H540 PolarHBondContact O-N 2.94Å; L537-H540 WeakPolarHBondContact O-CA 3.31Å; L537-H540 WeakPolarHBondContact O-CB 3.46Å; L537-H540 PolarHBondContact O-N 3.48Å; A538-H540 VanDerWaalsContact C-N 3.33Å; A538-H540 PolarHBondContact O-N 3.2Å; H540-S542 PolarHBondContact O-N 2.86Å; H540-H543 PolarHBondContact O-N 3.21Å; H540-F544 AromaticContact CE1-CD2 3.9Å; H540-F544 AromaticContact CE1-CG 3.99Å; H540-F544 AromaticContact ND1-CD2 3.28Å; H540-F544 VanDerWaalsContact ND1-CD2 3.28Å; H540-F544 WeakPolarHBondContact ND1-CD2 3.28Å; H540-F544 AromaticContact ND1-CE2 3.93Å; H540-F544 AromaticContact ND1-CG 3.84Å; H540-F544 WeakPolarHBondContact O-CD2 3.41Å; H540-F544 PolarHBondContact O-N 2.81Å; H540-H545 AromaticContact CD2-NE2 3.96Å; H540-H545 AromaticContact CE1-NE2 3.48Å; H540-H545 PolarHBondContact CE1-NE2 3.33Å; H540-H545 AromaticContact NE2-CD2 3.95Å; H540-H545 AromaticContact NE2-NE2 3.12Å; H540-H545 PolarHBondContact NE2-NE2 2.91Å; H540-H545 VanDerWaalsContact NE2-NE2 3.12Å
541	R	66.8	Low	65	Low	89 Å²	89	99.8 Å²	99.8	34%	0.336	47%	0.471	S	S	.	.	H	α-helix	trans	-57.6	-48.6	174.6	-69.1	-175.4	-173.1	-174.8	3.7	111.3	Q523 C524 C525 D526 L537 A538 H543 H545 L546	Q523-R541 PolarHBondContact O-NH2 3Å; C524-R541 WeakPolarHBondContact SG-CG 3.29Å; C525-R541 PolarHBondContact SG-NH2 3.35Å; C525-R541 VanDerWaalsContact SG-NH2 3.45Å; D526-R541 IonicContact OD2-NE 2.81Å; L537-R541 HydrophobicContact CD1-CG 4.15Å; L537-R541 PolarHBondContact O-N 2.99Å; A538-R541 PolarHBondContact O-N 3.16Å; R541-H543 VanDerWaalsContact C-N 3.26Å; R541-H543 PolarHBondContact O-N 3.5Å; R541-H545 PolarHBondContact O-N 2.97Å; R541-L546 PolarHBondContact O-N 3.45Å
542	S	62.3	Low	64.1	Low	42 Å²	42	102 Å²	102	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-56.7	-33.7	176.1	173.9	0	0	0	0	113.9	A538 H540 Q564	A538-S542 VanDerWaalsContact O-CB 3.28Å; A538-S542 WeakPolarHBondContact O-CB 3.5Å; A538-S542 PolarHBondContact O-N 3.31Å; H540-S542 PolarHBondContact O-N 2.86Å; S542-Q564 PolarHBondContact OG-NE2 3.14Å
543	H	62.8	Low	63.6	Low	98 Å²	98	98.9 Å²	98.9	45%	0.454	48%	0.475	S	S	.	.	H	α-helix	trans	-102.7	-14.3	-168.8	-151.6	-49.5	0	0	0	114.5	R539 H540 R541	R539-H543 WeakPolarHBondContact O-CB 3.49Å; R539-H543 PolarHBondContact O-N 3.21Å; H540-H543 PolarHBondContact O-N 3.21Å; R541-H543 VanDerWaalsContact C-N 3.26Å; R541-H543 PolarHBondContact O-N 3.5Å
544	F	56.2	Low	63.7	Low	119 Å²	119	98 Å²	98	52%	0.522	48%	0.476	S	S	.	.	H	α-helix	trans	-122.6	-33.3	-178.3	-70.3	-89.1	0	0	0	114.2	H540	H540-F544 AromaticContact CE1-CD2 3.9Å; H540-F544 AromaticContact CE1-CG 3.99Å; H540-F544 AromaticContact ND1-CD2 3.28Å; H540-F544 VanDerWaalsContact ND1-CD2 3.28Å; H540-F544 WeakPolarHBondContact ND1-CD2 3.28Å; H540-F544 AromaticContact ND1-CE2 3.93Å; H540-F544 AromaticContact ND1-CG 3.84Å; H540-F544 WeakPolarHBondContact O-CD2 3.41Å; H540-F544 PolarHBondContact O-N 2.81Å
545	H	67.3	Low	64.3	Low	62 Å²	62	93.2 Å²	93.2	29%	0.287	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-34.3	-170.7	-52.2	-43	0	0	0	112.7	C524 D526 C527 H540 R541 K547	C524-H545 PolarHBondContact SG-CD2 3.39Å; C524-H545 PolarHBondContact SG-NE2 3.09Å; C524-H545 VanDerWaalsContact SG-NE2 3.45Å; D526-H545 HydrophobicContact CB-CB 4.25Å; D526-H545 IonicContact OD2-CD2 3.11Å; D526-H545 PolarHBondContact OD2-CD2 3.13Å; D526-H545 IonicContact OD2-CG 3.74Å; D526-H545 IonicContact OD2-NE2 3.88Å; C527-H545 VanDerWaalsContact SG-CE1 3.59Å; C527-H545 PolarHBondContact SG-NE2 3.43Å; C527-H545 VanDerWaalsContact SG-NE2 3.38Å; H540-H545 AromaticContact CD2-NE2 3.96Å; H540-H545 AromaticContact CE1-NE2 3.48Å; H540-H545 PolarHBondContact CE1-NE2 3.33Å; H540-H545 AromaticContact NE2-CD2 3.95Å; H540-H545 AromaticContact NE2-NE2 3.12Å; H540-H545 PolarHBondContact NE2-NE2 2.91Å; H540-H545 VanDerWaalsContact NE2-NE2 3.12Å; R541-H545 PolarHBondContact O-N 2.97Å; H545-K547 PolarHBondContact O-N 3.42Å
546	L	63.4	Low	64.7	Low	130 Å²	130	100.1 Å²	100.1	68%	0.681	48%	0.475	S	S	*	.			trans	-72.5	69.4	164	-98.4	66.3	0	0	0	110.9	R541 D548	R541-L546 PolarHBondContact O-N 3.45Å; L546-D548 VanDerWaalsContact C-N 3.26Å; L546-D548 PolarHBondContact O-N 3.02Å
547	K	53.5	Low	64.5	Low	184 Å²	184	101.4 Å²	101.4	80%	0.8	48%	0.477	S	S	*	.			trans	-88.4	52.9	171.2	-81.2	-176.5	177.7	172.8	0	111.9	H545	H545-K547 PolarHBondContact O-N 3.42Å
548	D	51.1	Low	64.7	Low	148 Å²	148	102.8 Å²	102.8	79%	0.791	49%	0.487	S	S	*	.	S	Bend	trans	-119.7	151.7	165.2	-135.2	-37.7	0	0	0	113.1	L546 A550	L546-D548 VanDerWaalsContact C-N 3.26Å; L546-D548 PolarHBondContact O-N 3.02Å; D548-A550 PolarHBondContact O-N 2.83Å; D548-A550 VanDerWaalsContact O-N 3.08Å
549	K	52.9	Low	64.8	Low	199 Å²	199	107.2 Å²	107.2	87%	0.865	51%	0.509	S	S	*	.			trans	-94.3	59.5	-147.2	-68.3	179.3	-176.5	166.2	0	114.7
550	A	57.5	Low	64.8	Low	74 Å²	74	106.7 Å²	106.7	61%	0.612	51%	0.51	S	S	*	.			trans	-100.3	109.4	157.6	0	0	0	0	0	110.4	D548 P552	D548-A550 PolarHBondContact O-N 2.83Å; D548-A550 VanDerWaalsContact O-N 3.08Å; A550-P552 VanDerWaalsContact C-CD 3.47Å
551	R	62.3	Low	64.4	Low	171 Å²	171	107.7 Å²	107.7	65%	0.645	52%	0.519	S	S	*	.			trans	-124.4	67.9	169.8	-69	-169.9	178.9	-159.4	9.6	110.8	F553 S561 F562	R551-F553 PolarHBondContact O-N 3.39Å; R551-S561 WeakPolarHBondContact CD-O 3.42Å; R551-S561 PolarHBondContact NH1-O 3.13Å; R551-F562 CarbonylContact C-O 3.46Å; R551-F562 WeakPolarHBondContact CA-O 3.41Å
552	P	58.5	Low	64.6	Low	94 Å²	94	105.4 Å²	105.4	61%	0.61	51%	0.512	S	S	*	.			trans	-68.2	-18.4	-171.5	28.1	-35.3	0	0	0	113.7	A550 Q554	A550-P552 VanDerWaalsContact C-CD 3.47Å; P552-Q554 PolarHBondContact O-N 2.97Å
553	F	65.3	Low	64.1	Low	69 Å²	69	105.9 Å²	105.9	30%	0.303	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	83.7	-174.9	-56.5	-66.5	0	0	0	111.4	R551 S561 F562 N565 L568	R551-F553 PolarHBondContact O-N 3.39Å; F553-S561 WeakPolarHBondContact O-CA 3.29Å; F553-F562 HydrophobicContact CB-CB 4.33Å; F553-F562 PolarHBondContact N-O 3.48Å; F553-F562 PolarHBondContact O-N 2.82Å; F553-N565 HydrophobicContact CD1-CB 3.92Å; F553-N565 HydrophobicContact CD2-CB 4.39Å; F553-N565 HydrophobicContact CE1-CB 3.79Å; F553-N565 HydrophobicContact CE2-CB 4.26Å; F553-N565 HydrophobicContact CG-CB 4.23Å; F553-N565 HydrophobicContact CZ-CB 3.97Å; F553-L568 HydrophobicContact CB-CB 4.1Å; F553-L568 HydrophobicContact CB-CD2 3.82Å
554	Q	69.8	Low	64	Low	117 Å²	117	104 Å²	104	55%	0.547	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.4	174.8	-174.3	170.3	-9.5	0	0	112.4	P552	P552-Q554 PolarHBondContact O-N 2.97Å
555	C	76.3	Confident	64	Low	6 Å²	6	101.9 Å²	101.9	4%	0.041	50%	0.5	C	S	.	.			trans	-69.9	132.6	175.6	-176.5	0	0	0	0	112	Y557 K560 F562 L568	C555-Y557 PolarHBondContact O-N 3.44Å; C555-Y557 PolarHBondContact SG-N 3.08Å; C555-Y557 VanDerWaalsContact SG-N 3.39Å; C555-K560 VanDerWaalsContact CB-O 3.32Å; C555-K560 WeakPolarHBondContact CB-O 3.39Å; C555-K560 PolarHBondContact N-O 3.36Å; C555-F562 HydrophobicContact CB-CE2 4.41Å; C555-L568 VanDerWaalsContact CA-CD1 3.48Å; C555-L568 HydrophobicContact CB-CD1 3.91Å
556	R	71.1	Confident	63.9	Low	224 Å²	224	106 Å²	106	85%	0.845	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11	176.5	-70.3	-177.8	168.1	-170.8	-4.2	113.4	E572	R556-E572 PolarHBondContact N-OE1 3.29Å
557	Y	71.4	Confident	63.9	Low	101 Å²	101	101.4 Å²	101.4	40%	0.396	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-2.5	-173.6	-55.4	-79.9	0	0	0	114.4	C555 E572 H575 M576	C555-Y557 PolarHBondContact O-N 3.44Å; C555-Y557 PolarHBondContact SG-N 3.08Å; C555-Y557 VanDerWaalsContact SG-N 3.39Å; Y557-E572 HydrophobicContact CD2-CB 4.49Å; Y557-E572 HydrophobicContact CD2-CG 4.1Å; Y557-E572 HydrophobicContact CE2-CG 4.45Å; Y557-H575 HydrophobicContact CD2-CB 4.47Å; Y557-H575 HydrophobicContact CG-CB 4.3Å; Y557-H575 PolarHBondContact O-NE2 2.95Å; Y557-M576 HydrophobicContact CD2-CE 4.2Å; Y557-M576 HydrophobicContact CE1-CE 3.88Å; Y557-M576 HydrophobicContact CE2-CE 3.52Å; Y557-M576 WeakPolarHBondContact OH-CE 3.49Å
558	C	77.2	Confident	64.9	Low	37 Å²	37	93.5 Å²	93.5	25%	0.25	46%	0.457	C	S	.	.	S	Bend	trans	-165.5	171.2	169.7	70.4	0	0	0	0	113	K560 H571 H575	C558-K560 PolarHBondContact O-N 3.43Å; C558-H571 PolarHBondContact SG-NE2 3.31Å; C558-H575 WeakPolarHBondContact CB-NE2 3.29Å
559	V	70.8	Confident	65.8	Low	139 Å²	139	90.6 Å²	90.6	84%	0.842	44%	0.441	S	S	*	.	S	Bend	trans	-72.8	29.4	-179	-151.3	0	0	0	0	113.9
560	K	69.5	Low	66.6	Low	124 Å²	124	88.4 Å²	88.4	54%	0.539	43%	0.427	S	S	.	.			trans	-102.7	120.6	178.7	-67.9	-170.6	177.2	-169.6	0	111.3	C555 C558 F562	C555-K560 VanDerWaalsContact CB-O 3.32Å; C555-K560 WeakPolarHBondContact CB-O 3.39Å; C555-K560 PolarHBondContact N-O 3.36Å; C558-K560 PolarHBondContact O-N 3.43Å; K560-F562 HydrophobicContact CB-CE2 3.8Å; K560-F562 HydrophobicContact CB-CZ 3.95Å; K560-F562 WeakPolarHBondContact O-CE2 3.47Å
561	S	67	Low	67.4	Low	34 Å²	34	86.2 Å²	86.2	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.1	172.6	-46.5	0	0	0	0	111.7	R551 F553	R551-S561 WeakPolarHBondContact CD-O 3.42Å; R551-S561 PolarHBondContact NH1-O 3.13Å; F553-S561 WeakPolarHBondContact O-CA 3.29Å
562	F	69.8	Low	67.7	Low	42 Å²	42	79.8 Å²	79.8	18%	0.184	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.2	-173.1	-59.2	-92.4	0	0	0	110.5	R551 F553 C555 K560 D567 L568 H571	R551-F562 CarbonylContact C-O 3.46Å; R551-F562 WeakPolarHBondContact CA-O 3.41Å; F553-F562 HydrophobicContact CB-CB 4.33Å; F553-F562 PolarHBondContact N-O 3.48Å; F553-F562 PolarHBondContact O-N 2.82Å; C555-F562 HydrophobicContact CB-CE2 4.41Å; K560-F562 HydrophobicContact CB-CE2 3.8Å; K560-F562 HydrophobicContact CB-CZ 3.95Å; K560-F562 WeakPolarHBondContact O-CE2 3.47Å; F562-D567 HydrophobicContact CD1-CB 3.91Å; F562-L568 HydrophobicContact CB-CB 4.48Å; F562-L568 HydrophobicContact CD2-CB 4.05Å; F562-L568 HydrophobicContact CD2-CD1 4.26Å; F562-L568 HydrophobicContact CE2-CD1 4.46Å; F562-L568 HydrophobicContact CG-CB 4.41Å; F562-H571 HydrophobicContact CE1-CB 4.22Å; F562-H571 HydrophobicContact CE2-CB 4.03Å; F562-H571 AromaticContact CE2-CD2 3.56Å; F562-H571 AromaticContact CE2-CG 3.98Å; F562-H571 HydrophobicContact CZ-CB 3.57Å; F562-H571 AromaticContact CZ-CD2 3.46Å; F562-H571 VanDerWaalsContact CZ-CD2 3.46Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.41Å; F562-H571 AromaticContact CZ-CG 3.5Å; F562-H571 VanDerWaalsContact CZ-CG 3.5Å
563	S	52.9	Low	68.5	Low	51 Å²	51	82 Å²	82	36%	0.357	38%	0.378	S	S	.	.	S	Bend	trans	-82	-19.5	173.5	45.3	0	0	0	0	113
564	Q	60.4	Low	68.9	Low	58 Å²	58	83.5 Å²	83.5	27%	0.271	39%	0.388	S	S	.	.	S	Bend	trans	-132.5	137.5	-177.8	-58.5	-172.5	7.1	0	0	111.8	S542 Y566 D567 L568	S542-Q564 PolarHBondContact OG-NE2 3.14Å; Q564-Y566 VanDerWaalsContact C-N 3.3Å; Q564-Y566 PolarHBondContact O-N 3.02Å; Q564-D567 PolarHBondContact O-N 3.13Å; Q564-L568 PolarHBondContact O-N 3.01Å
565	N	55.9	Low	69	Low	76 Å²	76	80.8 Å²	80.8	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-34.9	-177.9	-168.1	-4	0	0	0	112.6	F553 D567 L568 L569	F553-N565 HydrophobicContact CD1-CB 3.92Å; F553-N565 HydrophobicContact CD2-CB 4.39Å; F553-N565 HydrophobicContact CE1-CB 3.79Å; F553-N565 HydrophobicContact CE2-CB 4.26Å; F553-N565 HydrophobicContact CG-CB 4.23Å; F553-N565 HydrophobicContact CZ-CB 3.97Å; N565-D567 VanDerWaalsContact C-N 3.31Å; N565-D567 PolarHBondContact O-N 3.33Å; N565-L568 WeakPolarHBondContact O-CB 3.39Å; N565-L568 PolarHBondContact O-N 3.34Å; N565-L569 WeakPolarHBondContact O-CG 3.35Å; N565-L569 PolarHBondContact O-N 3.02Å
566	Y	64.4	Low	68.4	Low	147 Å²	147	84.1 Å²	84.1	58%	0.576	39%	0.392	S	S	*	.	H	α-helix	trans	-57.9	-41.1	176.9	176.6	-97.9	0	0	0	113	Q564 L569 R570	Q564-Y566 VanDerWaalsContact C-N 3.3Å; Q564-Y566 PolarHBondContact O-N 3.02Å; Y566-L569 PolarHBondContact O-N 3.18Å; Y566-R570 VanDerWaalsContact O-CB 3.31Å; Y566-R570 WeakPolarHBondContact O-CB 3.41Å; Y566-R570 PolarHBondContact O-N 3.04Å
567	D	64.1	Low	67.9	Low	35 Å²	35	81.1 Å²	81.1	19%	0.187	39%	0.385	C	S	.	.	H	α-helix	trans	-75.7	-31.9	179.7	-72.8	-62.8	0	0	0	112.6	F562 Q564 N565 R570 H571	F562-D567 HydrophobicContact CD1-CB 3.91Å; Q564-D567 PolarHBondContact O-N 3.13Å; N565-D567 VanDerWaalsContact C-N 3.31Å; N565-D567 PolarHBondContact O-N 3.33Å; D567-R570 PolarHBondContact O-N 3.22Å; D567-H571 VanDerWaalsContact O-CB 3.25Å; D567-H571 WeakPolarHBondContact O-CB 3.3Å; D567-H571 PolarHBondContact O-N 3.34Å
568	L	74.6	Confident	67.3	Low	18 Å²	18	85 Å²	85	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-58.2	-54.6	165.8	167.8	60.8	0	0	0	110.6	F553 C555 F562 Q564 N565 R570 H571 E572	F553-L568 HydrophobicContact CB-CB 4.1Å; F553-L568 HydrophobicContact CB-CD2 3.82Å; C555-L568 VanDerWaalsContact CA-CD1 3.48Å; C555-L568 HydrophobicContact CB-CD1 3.91Å; F562-L568 HydrophobicContact CB-CB 4.48Å; F562-L568 HydrophobicContact CD2-CB 4.05Å; F562-L568 HydrophobicContact CD2-CD1 4.26Å; F562-L568 HydrophobicContact CE2-CD1 4.46Å; F562-L568 HydrophobicContact CG-CB 4.41Å; Q564-L568 PolarHBondContact O-N 3.01Å; N565-L568 WeakPolarHBondContact O-CB 3.39Å; N565-L568 PolarHBondContact O-N 3.34Å; L568-R570 VanDerWaalsContact C-N 3.27Å; L568-R570 PolarHBondContact O-N 3.34Å; L568-H571 CarbonylContact O-C 3.58Å; L568-H571 WeakPolarHBondContact O-CA 3.2Å; L568-H571 WeakPolarHBondContact O-CB 3.4Å; L568-H571 PolarHBondContact O-N 3.03Å; L568-E572 HydrophobicContact CD1-CG 3.81Å; L568-E572 PolarHBondContact O-N 2.63Å
569	L	69.6	Low	66.1	Low	87 Å²	87	91 Å²	91	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-32.2	179.5	-68.4	170.7	0	0	0	112.5	N565 Y566 R573	N565-L569 WeakPolarHBondContact O-CG 3.35Å; N565-L569 PolarHBondContact O-N 3.02Å; Y566-L569 PolarHBondContact O-N 3.18Å; L569-R573 WeakPolarHBondContact O-CG 3.5Å; L569-R573 PolarHBondContact O-N 3.31Å; L569-R573 PolarHBondContact O-NE 2.83Å; L569-R573 PolarHBondContact O-NH2 3.38Å
570	R	69.5	Low	65.2	Low	153 Å²	153	87.8 Å²	87.8	58%	0.577	40%	0.4	S	S	*	.	H	α-helix	trans	-67.7	-37.3	171.1	-174.2	178.9	176.6	-139.6	-0.9	111.6	Y566 D567 L568	Y566-R570 VanDerWaalsContact O-CB 3.31Å; Y566-R570 WeakPolarHBondContact O-CB 3.41Å; Y566-R570 PolarHBondContact O-N 3.04Å; D567-R570 PolarHBondContact O-N 3.22Å; L568-R570 VanDerWaalsContact C-N 3.27Å; L568-R570 PolarHBondContact O-N 3.34Å
571	H	74.5	Confident	64.3	Low	28 Å²	28	89.1 Å²	89.1	13%	0.13	41%	0.406	C	S	.	.	H	α-helix	trans	-73.1	-43.1	178.4	-178.7	49.6	0	0	0	113.1	C558 F562 D567 L568 R573 L574 H575	C558-H571 PolarHBondContact SG-NE2 3.31Å; F562-H571 HydrophobicContact CE1-CB 4.22Å; F562-H571 HydrophobicContact CE2-CB 4.03Å; F562-H571 AromaticContact CE2-CD2 3.56Å; F562-H571 AromaticContact CE2-CG 3.98Å; F562-H571 HydrophobicContact CZ-CB 3.57Å; F562-H571 AromaticContact CZ-CD2 3.46Å; F562-H571 VanDerWaalsContact CZ-CD2 3.46Å; F562-H571 WeakPolarHBondContact CZ-CD2 3.41Å; F562-H571 AromaticContact CZ-CG 3.5Å; F562-H571 VanDerWaalsContact CZ-CG 3.5Å; D567-H571 VanDerWaalsContact O-CB 3.25Å; D567-H571 WeakPolarHBondContact O-CB 3.3Å; D567-H571 PolarHBondContact O-N 3.34Å; L568-H571 CarbonylContact O-C 3.58Å; L568-H571 WeakPolarHBondContact O-CA 3.2Å; L568-H571 WeakPolarHBondContact O-CB 3.4Å; L568-H571 PolarHBondContact O-N 3.03Å; H571-R573 VanDerWaalsContact C-N 3.26Å; H571-R573 PolarHBondContact O-N 2.86Å; H571-L574 WeakPolarHBondContact O-CA 3.2Å; H571-L574 VanDerWaalsContact O-CB 3.25Å; H571-L574 WeakPolarHBondContact O-CB 3.07Å; H571-L574 PolarHBondContact O-N 3.08Å; H571-H575 AromaticContact CE1-CD2 3.97Å; H571-H575 AromaticContact NE2-CD2 3.75Å; H571-H575 PolarHBondContact O-N 3.46Å
572	E	69.9	Low	63.4	Low	36 Å²	36	94 Å²	94	17%	0.168	43%	0.425	C	S	.	.	H	α-helix	trans	-64.5	-30.8	179	-67.1	-164.4	150.3	0	0	112.5	R556 Y557 L568 L574 H575 M576	R556-E572 PolarHBondContact N-OE1 3.29Å; Y557-E572 HydrophobicContact CD2-CB 4.49Å; Y557-E572 HydrophobicContact CD2-CG 4.1Å; Y557-E572 HydrophobicContact CE2-CG 4.45Å; L568-E572 HydrophobicContact CD1-CG 3.81Å; L568-E572 PolarHBondContact O-N 2.63Å; E572-L574 PolarHBondContact O-N 3.45Å; E572-H575 WeakPolarHBondContact O-CB 3.46Å; E572-H575 PolarHBondContact O-N 2.95Å; E572-M576 PolarHBondContact O-N 3.27Å
573	R	75	Confident	62.3	Low	140 Å²	140	94.2 Å²	94.2	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-22.1	169.4	-77	176.1	-75.6	-176.7	-2.1	113.7	L569 H571 K577	L569-R573 WeakPolarHBondContact O-CG 3.5Å; L569-R573 PolarHBondContact O-N 3.31Å; L569-R573 PolarHBondContact O-NE 2.83Å; L569-R573 PolarHBondContact O-NH2 3.38Å; H571-R573 VanDerWaalsContact C-N 3.26Å; H571-R573 PolarHBondContact O-N 2.86Å; R573-K577 WeakPolarHBondContact O-CG 3.46Å; R573-K577 PolarHBondContact O-N 3.3Å
574	L	72.4	Confident	62	Low	100 Å²	100	98.2 Å²	98.2	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-78.3	-34.4	171.4	-57.4	175.1	0	0	0	112.1	H571 E572 K577 R578	H571-L574 WeakPolarHBondContact O-CA 3.2Å; H571-L574 VanDerWaalsContact O-CB 3.25Å; H571-L574 WeakPolarHBondContact O-CB 3.07Å; H571-L574 PolarHBondContact O-N 3.08Å; E572-L574 PolarHBondContact O-N 3.45Å; L574-K577 PolarHBondContact O-N 2.88Å; L574-R578 PolarHBondContact O-N 3.46Å
575	H	72.4	Confident	61.3	Low	60 Å²	60	102.1 Å²	102.1	28%	0.278	47%	0.474	S	S	.	.	H	α-helix	trans	-63.5	-44.8	171.1	-75.3	-80.1	0	0	0	110.9	Y557 C558 H571 E572 K577 R578 R579	Y557-H575 HydrophobicContact CD2-CB 4.47Å; Y557-H575 HydrophobicContact CG-CB 4.3Å; Y557-H575 PolarHBondContact O-NE2 2.95Å; C558-H575 WeakPolarHBondContact CB-NE2 3.29Å; H571-H575 AromaticContact CE1-CD2 3.97Å; H571-H575 AromaticContact NE2-CD2 3.75Å; H571-H575 PolarHBondContact O-N 3.46Å; E572-H575 WeakPolarHBondContact O-CB 3.46Å; E572-H575 PolarHBondContact O-N 2.95Å; H575-K577 PolarHBondContact O-N 2.91Å; H575-R578 PolarHBondContact O-N 3.27Å; H575-R578 VanDerWaalsContact O-N 3.17Å; H575-R579 WeakPolarHBondContact O-CB 3.31Å; H575-R579 PolarHBondContact O-N 3.26Å
576	M	63.8	Low	60.7	Low	76 Å²	76	102.8 Å²	102.8	37%	0.374	48%	0.484	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176	-61.4	-54.6	138.6	0	0	112	Y557 E572 R578 R579 S580	Y557-M576 HydrophobicContact CD2-CE 4.2Å; Y557-M576 HydrophobicContact CE1-CE 3.88Å; Y557-M576 HydrophobicContact CE2-CE 3.52Å; Y557-M576 WeakPolarHBondContact OH-CE 3.49Å; E572-M576 PolarHBondContact O-N 3.27Å; M576-R578 VanDerWaalsContact C-N 3.32Å; M576-R578 PolarHBondContact O-N 2.83Å; M576-R579 PolarHBondContact O-N 3.44Å; M576-R579 VanDerWaalsContact O-N 3.16Å; M576-S580 PolarHBondContact O-N 3.36Å; M576-S580 PolarHBondContact O-OG 3.35Å; M576-S580 VanDerWaalsContact O-OG 3.14Å
577	K	60.8	Low	59.5	Low	162 Å²	162	108.9 Å²	108.9	70%	0.704	51%	0.509	S	S	*	.	H	α-helix	trans	-61.7	-34	174.8	-75.5	-171.6	175	-168.2	0	113.8	R573 L574 H575 K581	R573-K577 WeakPolarHBondContact O-CG 3.46Å; R573-K577 PolarHBondContact O-N 3.3Å; L574-K577 PolarHBondContact O-N 2.88Å; H575-K577 PolarHBondContact O-N 2.91Å; K577-K581 PolarHBondContact O-N 3.04Å
578	R	57.9	Low	59.3	Low	182 Å²	182	112.6 Å²	112.6	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-69.8	-42.4	172.2	-78.7	-174.6	172.4	-159.5	-3.5	112	L574 H575 M576 K581 Q582	L574-R578 PolarHBondContact O-N 3.46Å; H575-R578 PolarHBondContact O-N 3.27Å; H575-R578 VanDerWaalsContact O-N 3.17Å; M576-R578 VanDerWaalsContact C-N 3.32Å; M576-R578 PolarHBondContact O-N 2.83Å; R578-K581 PolarHBondContact O-N 3.28Å; R578-Q582 PolarHBondContact O-N 2.88Å
579	R	53.7	Low	58.4	Low	162 Å²	162	117.6 Å²	117.6	61%	0.611	55%	0.547	S	S	*	.	H	α-helix	trans	-66.6	-39.7	-179.9	-143.2	174.7	-168.2	178.8	2.1	111.8	H575 M576 Q582 A583	H575-R579 WeakPolarHBondContact O-CB 3.31Å; H575-R579 PolarHBondContact O-N 3.26Å; M576-R579 PolarHBondContact O-N 3.44Å; M576-R579 VanDerWaalsContact O-N 3.16Å; R579-Q582 PolarHBondContact O-N 2.72Å; R579-A583 WeakPolarHBondContact O-CB 3.41Å; R579-A583 PolarHBondContact O-N 2.81Å
580	S	50.8	Low	57.8	Low	73 Å²	73	119.3 Å²	119.3	51%	0.51	55%	0.552	S	S	.	*	H	α-helix	trans	-61.2	-41	170.5	-57.2	0	0	0	0	112.4	M576 L584	M576-S580 PolarHBondContact O-N 3.36Å; M576-S580 PolarHBondContact O-OG 3.35Å; M576-S580 VanDerWaalsContact O-OG 3.14Å; S580-L584 WeakPolarHBondContact O-CB 3.41Å; S580-L584 WeakPolarHBondContact O-CG 3.33Å; S580-L584 PolarHBondContact O-N 3.04Å
581	K	51.1	Low	57.1	Low	152 Å²	152	117.3 Å²	117.3	66%	0.661	55%	0.551	S	S	*	*	H	α-helix	trans	-68	-34.7	173.3	-85.7	-158.8	168.8	-161.9	0	113.3	K577 R578 N585	K577-K581 PolarHBondContact O-N 3.04Å; R578-K581 PolarHBondContact O-N 3.28Å; K581-N585 VanDerWaalsContact O-CB 3.3Å; K581-N585 WeakPolarHBondContact O-CB 3.28Å; K581-N585 VanDerWaalsContact O-CG 3.23Å; K581-N585 PolarHBondContact O-N 3.16Å; K581-N585 PolarHBondContact O-OD1 3.14Å; K581-N585 VanDerWaalsContact O-OD1 3.11Å
582	Q	48.1	Very low	56	Low	135 Å²	135	122.9 Å²	122.9	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-70	-39.5	175.1	-74.5	-179.5	-71.7	0	0	111.9	R578 R579 N585 S586	R578-Q582 PolarHBondContact O-N 2.88Å; R579-Q582 PolarHBondContact O-N 2.72Å; Q582-N585 CarbonylContact O-C 3.34Å; Q582-N585 PolarHBondContact O-N 2.86Å; Q582-S586 WeakPolarHBondContact O-CB 3.3Å; Q582-S586 PolarHBondContact O-N 2.71Å; Q582-S586 PolarHBondContact O-OG 2.68Å
583	A	45.6	Very low	55.1	Low	48 Å²	48	128.7 Å²	128.7	40%	0.397	60%	0.604	S	S	.	*	H	α-helix	trans	-65.6	-37.8	174.6	0	0	0	0	0	112.7	R579 N585 S586 Y587	R579-A583 WeakPolarHBondContact O-CB 3.41Å; R579-A583 PolarHBondContact O-N 2.81Å; A583-N585 VanDerWaalsContact C-N 3.27Å; A583-N585 PolarHBondContact O-N 2.84Å; A583-S586 PolarHBondContact O-N 3.32Å; A583-S586 PolarHBondContact O-OG 3.05Å; A583-S586 VanDerWaalsContact O-OG 3.14Å; A583-Y587 WeakPolarHBondContact O-CD2 3.37Å
584	L	47.6	Very low	53.7	Low	134 Å²	134	127.9 Å²	127.9	70%	0.702	61%	0.61	S	S	*	*	H	α-helix	trans	-74	-15.5	173.6	-72.3	168.7	0	0	0	113.7	S580	S580-L584 WeakPolarHBondContact O-CB 3.41Å; S580-L584 WeakPolarHBondContact O-CG 3.33Å; S580-L584 PolarHBondContact O-N 3.04Å
585	N	45.3	Very low	52.3	Low	140 Å²	140	130 Å²	130	75%	0.749	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	10.7	173.3	-74.4	29.8	0	0	0	112.1	K581 Q582 A583	K581-N585 VanDerWaalsContact O-CB 3.3Å; K581-N585 WeakPolarHBondContact O-CB 3.28Å; K581-N585 VanDerWaalsContact O-CG 3.23Å; K581-N585 PolarHBondContact O-N 3.16Å; K581-N585 PolarHBondContact O-OD1 3.14Å; K581-N585 VanDerWaalsContact O-OD1 3.11Å; Q582-N585 CarbonylContact O-C 3.34Å; Q582-N585 PolarHBondContact O-N 2.86Å; A583-N585 VanDerWaalsContact C-N 3.27Å; A583-N585 PolarHBondContact O-N 2.84Å
586	S	43.3	Very low	50.6	Low	90 Å²	90	135.8 Å²	135.8	63%	0.629	65%	0.645	S	S	*	*			trans	-125.5	28.1	178.2	73.8	0	0	0	0	112.5	Q582 A583	Q582-S586 WeakPolarHBondContact O-CB 3.3Å; Q582-S586 PolarHBondContact O-N 2.71Å; Q582-S586 PolarHBondContact O-OG 2.68Å; A583-S586 PolarHBondContact O-N 3.32Å; A583-S586 PolarHBondContact O-OG 3.05Å; A583-S586 VanDerWaalsContact O-OG 3.14Å
587	Y	39.2	Very low	49.4	Very low	276 Å²	276	141.3 Å²	141.3	100%	1.082	67%	0.669	S	S	*	*			trans	-128.7	0	170	-90.2	-80.3	0	0	0	108.2	A583	A583-Y587 WeakPolarHBondContact O-CD2 3.37Å

Retrieved 587 of 587 residues in 656.9 ms (Link to these results)

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