A0A077Z6A0_TRITR Loading...

Glutathione dependent

AlphaFold DB , UniProt , Accession A0A077Z6A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 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	30	Very low	29.7	Very low	236 Å²	236	141 Å²	141	100%	1.163	84%	0.835	S	S	*	*				0	149.5	0	-73.7	175.2	169.7	0	0	108.1
2	L	27.7	Very low	29.8	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	83%	0.831	S	S	*	*			trans	64.4	95.1	177.9	-62.1	163.1	0	0	0	113.6
3	S	29.8	Very low	29.6	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	82%	0.823	S	S	*	*				79	130.1	84.8	66.4	0	0	0	0	112.4
4	G	25.6	Very low	29.7	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	82%	0.824	S	S	*	*			cis	134.8	119.8	10.3	0	0	0	0	0	108.8
5	A	34.1	Very low	29.8	Very low	108 Å²	108	140.3 Å²	140.3	89%	0.893	83%	0.825	S	S	*	*			trans	-151.7	95.8	176.8	0	0	0	0	0	110.5
6	T	26.4	Very low	29.8	Very low	122 Å²	122	136.1 Å²	136.1	75%	0.748	82%	0.82	S	S	*	*			trans	-88.8	148.1	163	41.9	0	0	0	0	109.4
7	S	32.1	Very low	29.8	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	82%	0.822	S	S	*	*			trans	-137.4	147.9	163.9	53.6	0	0	0	0	109.8
8	Y	28.9	Very low	29.7	Very low	208 Å²	208	143.5 Å²	143.5	82%	0.816	83%	0.828	S	S	*	*			trans	-101.6	142.7	-154.1	-72.5	-107.7	0	0	0	112.8	L10	Y8-L10 PolarHBondContact O-N 2.95Å
9	S	29.5	Very low	29.8	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	82%	0.818	S	S	*	*			trans	-84	99.6	163.9	54.9	0	0	0	0	110.3	I11	S9-I11 PolarHBondContact O-N 3.05Å
10	L	31.6	Very low	29.9	Very low	144 Å²	144	141 Å²	141	75%	0.754	81%	0.814	S	S	*	*			trans	-82.2	101.9	170.9	-106.1	157.5	0	0	0	110	Y8	Y8-L10 PolarHBondContact O-N 2.95Å
11	I	31.3	Very low	29.9	Very low	153 Å²	153	140.8 Å²	140.8	79%	0.785	81%	0.809	S	S	*	*			trans	-87.8	104.4	168	-58.8	173.6	0	0	0	107.3	S9	S9-I11 PolarHBondContact O-N 3.05Å
12	H	30.7	Very low	29.8	Very low	168 Å²	168	135.8 Å²	135.8	78%	0.778	79%	0.786	S	S	*	*			trans	-102.6	113.2	163.7	-94.2	-50.1	0	0	0	110.1
13	S	27.4	Very low	29.8	Very low	104 Å²	104	133 Å²	133	73%	0.727	78%	0.776	S	S	*	*			trans	-76.2	126.1	168.2	54.8	0	0	0	0	110.6
14	L	30.2	Very low	29.6	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	78%	0.776	S	S	*	*			trans	-161	120.9	158.4	-106.3	158.7	0	0	0	108.4
15	S	32.5	Very low	29.7	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	77%	0.773	S	S	*	*	S	Bend	trans	53.3	121.7	176.6	50.7	0	0	0	0	117.2	F17	S15-F17 PolarHBondContact O-N 3.04Å
16	G	28.7	Very low	29.2	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	77%	0.769	S	S	*	*	S	Bend	trans	-65.6	118.1	-169.6	0	0	0	0	0	115.6
17	F	29.8	Very low	29.2	Very low	192 Å²	192	144.8 Å²	144.8	84%	0.842	77%	0.774	S	S	*	*			trans	-156.9	108.9	143.7	-108.3	-78.7	0	0	0	108.2	S15 I19	S15-F17 PolarHBondContact O-N 3.04Å; F17-I19 PolarHBondContact O-N 3.25Å
18	F	28.9	Very low	28.9	Very low	214 Å²	214	145.1 Å²	145.1	94%	0.939	77%	0.767	S	S	*	*			trans	-76.2	93.4	178	-85.5	-86.8	0	0	0	110.5
19	I	30.8	Very low	28.7	Very low	124 Å²	124	137.3 Å²	137.3	64%	0.636	75%	0.749	S	S	*	*			trans	-106.1	111.8	166.6	-58.1	178.1	0	0	0	107.7	F17 I21	F17-I19 PolarHBondContact O-N 3.25Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 HydrophobicContact CG2-CG1 4.18Å; I19-I21 PolarHBondContact O-N 3.07Å
20	P	31.9	Very low	28.5	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	74%	0.74	S	S	*	*			trans	-71	91.7	170.3	29.1	-32.1	0	0	0	109	L22	P20-L22 VanDerWaalsContact C-N 3.25Å; P20-L22 PolarHBondContact O-N 3.24Å
21	I	30.2	Very low	28.4	Very low	138 Å²	138	131.9 Å²	131.9	71%	0.708	72%	0.722	S	S	*	*			trans	-68.8	89.8	168.3	-59	177.9	0	0	0	107.1	I19 T23	I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 HydrophobicContact CG2-CG1 4.18Å; I19-I21 PolarHBondContact O-N 3.07Å; I21-T23 VanDerWaalsContact C-N 3.32Å; I21-T23 HydrophobicContact CG2-CG2 4.43Å; I21-T23 PolarHBondContact O-N 2.86Å
22	L	27.9	Very low	28.3	Very low	131 Å²	131	133.5 Å²	133.5	69%	0.686	73%	0.726	S	S	*	*			trans	-76.2	88.1	173.6	-141	97.5	0	0	0	108.4	P20 F24	P20-L22 VanDerWaalsContact C-N 3.25Å; P20-L22 PolarHBondContact O-N 3.24Å; L22-F24 HydrophobicContact CD2-CD2 3.73Å; L22-F24 HydrophobicContact CD2-CE2 3.45Å; L22-F24 VanDerWaalsContact CD2-CE2 3.45Å; L22-F24 HydrophobicContact CD2-CZ 4.21Å; L22-F24 PolarHBondContact O-N 3.06Å
23	T	26.7	Very low	28.2	Very low	103 Å²	103	127.6 Å²	127.6	63%	0.632	71%	0.711	S	S	*	*			trans	-65.3	87.2	167.6	23	0	0	0	0	109.2	I21 F25	I21-T23 VanDerWaalsContact C-N 3.32Å; I21-T23 HydrophobicContact CG2-CG2 4.43Å; I21-T23 PolarHBondContact O-N 2.86Å; T23-F25 PolarHBondContact O-N 3.12Å
24	F	27.3	Very low	28.4	Very low	176 Å²	176	129.9 Å²	129.9	77%	0.772	71%	0.71	S	S	*	*			trans	-63.4	87.9	164	-101.5	-77	0	0	0	108.7	L22 L26	L22-F24 HydrophobicContact CD2-CD2 3.73Å; L22-F24 HydrophobicContact CD2-CE2 3.45Å; L22-F24 VanDerWaalsContact CD2-CE2 3.45Å; L22-F24 HydrophobicContact CD2-CZ 4.21Å; L22-F24 PolarHBondContact O-N 3.06Å; F24-L26 PolarHBondContact O-N 3.34Å; F24-L26 VanDerWaalsContact O-N 3.11Å
25	F	26	Very low	28.4	Very low	170 Å²	170	126.9 Å²	126.9	75%	0.746	70%	0.695	S	S	*	*			trans	-60.5	113.9	160.1	-80.4	-85	0	0	0	107.7	T23 L27	T23-F25 PolarHBondContact O-N 3.12Å; F25-L27 PolarHBondContact O-N 3.5Å
26	L	25.3	Very low	28.3	Very low	153 Å²	153	124.2 Å²	124.2	80%	0.801	67%	0.671	S	S	*	*			trans	-60.7	89.4	165	-84.5	153.8	0	0	0	108.2	F24 D28	F24-L26 PolarHBondContact O-N 3.34Å; F24-L26 VanDerWaalsContact O-N 3.11Å; L26-D28 PolarHBondContact O-N 3.21Å
27	L	25.4	Very low	28.2	Very low	165 Å²	165	126.8 Å²	126.8	86%	0.864	67%	0.666	S	S	*	*			trans	-69.9	83.3	159.4	-84.1	162.7	0	0	0	107.3	F25 G29	F25-L27 PolarHBondContact O-N 3.5Å; L27-G29 PolarHBondContact O-N 2.85Å
28	D	25.8	Very low	28.3	Very low	128 Å²	128	118.8 Å²	118.8	68%	0.684	63%	0.631	S	S	*	*			trans	-63.3	74.6	160.5	-89.1	-35.2	0	0	0	108.4	L26 V30	L26-D28 PolarHBondContact O-N 3.21Å; D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.48Å
29	G	25.2	Very low	28.2	Very low	44 Å²	44	112.6 Å²	112.6	45%	0.454	61%	0.608	S	S	.	*			trans	-70.1	82.1	-177.3	0	0	0	0	0	110.8	L27 A31	L27-G29 PolarHBondContact O-N 2.85Å; G29-A31 VanDerWaalsContact C-N 3.33Å; G29-A31 PolarHBondContact O-N 3.49Å
30	V	25.9	Very low	28	Very low	93 Å²	93	110.5 Å²	110.5	56%	0.564	61%	0.609	S	S	*	*			trans	-62.5	97.2	163	179.6	0	0	0	0	107.4	D28 H32	D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.48Å; V30-H32 PolarHBondContact O-N 2.6Å; V30-H32 VanDerWaalsContact O-N 3.14Å
31	A	29.6	Very low	27.8	Very low	47 Å²	47	108.1 Å²	108.1	39%	0.388	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-59.6	118.3	172.4	0	0	0	0	0	108.5	G29 G33	G29-A31 VanDerWaalsContact C-N 3.33Å; G29-A31 PolarHBondContact O-N 3.49Å; A31-G33 PolarHBondContact O-N 3.36Å
32	H	27.7	Very low	27.7	Very low	188 Å²	188	107.5 Å²	107.5	87%	0.87	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-53.7	131.2	-177.5	-79.7	-78.3	0	0	0	111.1	V30 Q34	V30-H32 PolarHBondContact O-N 2.6Å; V30-H32 VanDerWaalsContact O-N 3.14Å; H32-Q34 PolarHBondContact O-N 2.83Å
33	G	29.8	Very low	27.8	Very low	44 Å²	44	105.1 Å²	105.1	45%	0.454	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-60.8	132.9	178	0	0	0	0	0	111.2	A31 D35	A31-G33 PolarHBondContact O-N 3.36Å; G33-D35 PolarHBondContact O-N 3.15Å
34	Q	31.9	Very low	28.2	Very low	151 Å²	151	101.8 Å²	101.8	71%	0.706	57%	0.566	S	S	*	*			trans	-85.4	97.1	177.6	-155	171.9	13.7	0	0	108.1	H32 I36 S76	H32-Q34 PolarHBondContact O-N 2.83Å; Q34-I36 HydrophobicContact CG-CG1 4.28Å; Q34-I36 PolarHBondContact O-N 2.93Å; Q34-S76 WeakPolarHBondContact O-CB 3.01Å
35	D	28.7	Very low	28.8	Very low	100 Å²	100	97 Å²	97	54%	0.535	55%	0.546	S	S	.	.			trans	-69.8	118.5	170.7	-78.3	-20.6	0	0	0	108.4	G33 K58 S76	G33-D35 PolarHBondContact O-N 3.15Å; D35-K58 WeakPolarHBondContact OD1-CE 3.47Å; D35-K58 IonicContact OD1-NZ 2.71Å; D35-K58 IonicContact OD2-NZ 3.57Å; D35-K58 PolarHBondContact OD2-NZ 3.2Å; D35-S76 WeakPolarHBondContact OD1-CB 3.35Å; D35-S76 PolarHBondContact OD1-OG 3.05Å
36	I	30.1	Very low	29.8	Very low	63 Å²	63	89.5 Å²	89.5	32%	0.323	51%	0.513	S	S	.	.			trans	-117.6	132	-177.2	-63.8	172.2	0	0	0	107.8	Q34 F38 F46 A74	Q34-I36 HydrophobicContact CG-CG1 4.28Å; Q34-I36 PolarHBondContact O-N 2.93Å; I36-F38 HydrophobicContact CB-CE1 4.22Å; I36-F38 HydrophobicContact CB-CE2 4.35Å; I36-F38 HydrophobicContact CB-CZ 3.68Å; I36-F38 HydrophobicContact CG2-CD1 4.31Å; I36-F38 HydrophobicContact CG2-CE1 3.52Å; I36-F38 HydrophobicContact CG2-CE2 4.32Å; I36-F38 HydrophobicContact CG2-CZ 3.5Å; I36-F38 VanDerWaalsContact CG2-CZ 3.5Å; I36-F38 WeakPolarHBondContact O-CE2 3.44Å; I36-F46 HydrophobicContact CD1-CE1 4.33Å; I36-A74 WeakPolarHBondContact O-CB 3.21Å
37	L	26.4	Very low	30.9	Very low	126 Å²	126	86.6 Å²	86.6	66%	0.66	50%	0.498	S	S	*	.			trans	-77.6	141.4	168.7	-66.3	102.9	0	0	0	110	L62	L37-L62 HydrophobicContact CB-CD1 4.13Å; L37-L62 HydrophobicContact CD2-CD1 3.41Å; L37-L62 VanDerWaalsContact CD2-CD1 3.41Å; L37-L62 HydrophobicContact CG-CD1 3.39Å
38	F	33.5	Very low	32	Very low	24 Å²	24	79.6 Å²	79.6	11%	0.105	46%	0.463	C	S	.	.			trans	-117.3	138.6	168.5	-51.5	-74.7	0	0	0	110.3	I36 F44 F46 D72 F73 V75	I36-F38 HydrophobicContact CB-CE1 4.22Å; I36-F38 HydrophobicContact CB-CE2 4.35Å; I36-F38 HydrophobicContact CB-CZ 3.68Å; I36-F38 HydrophobicContact CG2-CD1 4.31Å; I36-F38 HydrophobicContact CG2-CE1 3.52Å; I36-F38 HydrophobicContact CG2-CE2 4.32Å; I36-F38 HydrophobicContact CG2-CZ 3.5Å; I36-F38 VanDerWaalsContact CG2-CZ 3.5Å; I36-F38 WeakPolarHBondContact O-CE2 3.44Å; F38-F44 HydrophobicContact CB-CD1 4.32Å; F38-F44 HydrophobicContact CB-CE1 4.04Å; F38-F44 HydrophobicContact CD1-CB 3.76Å; F38-F44 AromaticContact CD1-CD1 3.19Å; F38-F44 HydrophobicContact CD1-CD1 3.19Å; F38-F44 AromaticContact CD1-CD2 3.85Å; F38-F44 HydrophobicContact CD1-CD2 3.85Å; F38-F44 AromaticContact CD1-CE1 3.53Å; F38-F44 HydrophobicContact CD1-CE1 3.53Å; F38-F44 HydrophobicContact CD1-CE2 4.11Å; F38-F44 AromaticContact CD1-CG 3.35Å; F38-F44 HydrophobicContact CD1-CG 3.35Å; F38-F44 AromaticContact CD1-CZ 3.95Å; F38-F44 HydrophobicContact CD1-CZ 3.95Å; F38-F44 HydrophobicContact CD2-CE1 4.07Å; F38-F44 HydrophobicContact CD2-CE2 4.26Å; F38-F44 AromaticContact CD2-CZ 3.89Å; F38-F44 HydrophobicContact CD2-CZ 3.89Å; F38-F44 HydrophobicContact CE1-CB 3.56Å; F38-F44 AromaticContact CE1-CD1 3.68Å; F38-F44 HydrophobicContact CE1-CD1 3.68Å; F38-F44 AromaticContact CE1-CD2 3.42Å; F38-F44 HydrophobicContact CE1-CD2 3.42Å; F38-F44 VanDerWaalsContact CE1-CD2 3.42Å; F38-F44 HydrophobicContact CE1-CE1 4.12Å; F38-F44 AromaticContact CE1-CE2 3.86Å; F38-F44 HydrophobicContact CE1-CE2 3.86Å; F38-F44 AromaticContact CE1-CG 3.29Å; F38-F44 HydrophobicContact CE1-CG 3.29Å; F38-F44 HydrophobicContact CE1-CZ 4.18Å; F38-F44 HydrophobicContact CE2-CD2 4.49Å; F38-F44 HydrophobicContact CE2-CE2 4.15Å; F38-F44 HydrophobicContact CE2-CZ 4.23Å; F38-F44 AromaticContact CG-CD1 3.71Å; F38-F44 HydrophobicContact CG-CD1 3.71Å; F38-F44 AromaticContact CG-CE1 3.52Å; F38-F44 HydrophobicContact CG-CE1 3.52Å; F38-F44 HydrophobicContact CG-CE2 4.32Å; F38-F44 HydrophobicContact CG-CG 4.2Å; F38-F44 AromaticContact CG-CZ 3.83Å; F38-F44 HydrophobicContact CG-CZ 3.83Å; F38-F44 AromaticContact CZ-CD2 3.83Å; F38-F44 HydrophobicContact CZ-CD2 3.83Å; F38-F44 AromaticContact CZ-CE2 3.92Å; F38-F44 HydrophobicContact CZ-CE2 3.92Å; F38-F44 HydrophobicContact CZ-CG 4.17Å; F38-F44 HydrophobicContact CZ-CZ 4.35Å; F38-F46 HydrophobicContact CE1-CE1 4.28Å; F38-F46 HydrophobicContact CE1-CZ 4.17Å; F38-F46 HydrophobicContact CE2-CE1 4.45Å; F38-F46 AromaticContact CE2-CZ 3.99Å; F38-F46 HydrophobicContact CE2-CZ 3.99Å; F38-F46 AromaticContact CZ-CE1 3.56Å; F38-F46 HydrophobicContact CZ-CE1 3.56Å; F38-F46 AromaticContact CZ-CZ 3.4Å; F38-F46 HydrophobicContact CZ-CZ 3.4Å; F38-F46 VanDerWaalsContact CZ-CZ 3.4Å; F38-D72 WeakPolarHBondContact O-CB 3.32Å; F38-F73 VanDerWaalsContact CD2-O 3.3Å; F38-F73 WeakPolarHBondContact CD2-O 3.29Å; F38-V75 HydrophobicContact CE2-CB 4.29Å; F38-V75 WeakPolarHBondContact CE2-O 3.45Å; F38-V75 WeakPolarHBondContact CZ-O 3.5Å
39	D	26.8	Very low	33	Very low	85 Å²	85	77.1 Å²	77.1	46%	0.455	45%	0.454	S	S	.	.			trans	-72.7	138.4	152.2	-45.4	-67	0	0	0	108.2	K42 D72	D39-K42 HydrophobicContact CB-CD 4.11Å; D39-K42 WeakPolarHBondContact OD2-CD 3.37Å; D39-K42 WeakPolarHBondContact OD2-CE 3.35Å; D39-K42 IonicContact OD2-NZ 2.8Å; D39-K42 PolarHBondContact OD2-NZ 2.81Å; D39-D72 WeakPolarHBondContact CA-OD1 3.22Å
40	A	26.9	Very low	34.1	Very low	80 Å²	80	83.3 Å²	83.3	66%	0.661	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	139.7	170.6	0	0	0	0	0	112.5	K42 D72	A40-K42 PolarHBondContact O-N 3.02Å; A40-D72 PolarHBondContact N-OD1 2.93Å
41	G	26.1	Very low	35.2	Very low	61 Å²	61	80.8 Å²	80.8	63%	0.629	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-5.4	172.8	0	0	0	0	0	117.4
42	K	28.3	Very low	36.5	Very low	125 Å²	125	79.5 Å²	79.5	54%	0.543	45%	0.454	S	S	.	.			trans	-87.9	133.2	175.8	-68.8	179.1	-171.4	168.6	0	111.7	D39 A40 F44	D39-K42 HydrophobicContact CB-CD 4.11Å; D39-K42 WeakPolarHBondContact OD2-CD 3.37Å; D39-K42 WeakPolarHBondContact OD2-CE 3.35Å; D39-K42 IonicContact OD2-NZ 2.8Å; D39-K42 PolarHBondContact OD2-NZ 2.81Å; A40-K42 PolarHBondContact O-N 3.02Å; K42-F44 VanDerWaalsContact O-CD1 3.28Å; K42-F44 WeakPolarHBondContact O-CD1 3.49Å; K42-F44 PolarHBondContact O-N 3.29Å; K42-F44 VanDerWaalsContact O-N 3.15Å
43	P	30.1	Very low	37.8	Very low	82 Å²	82	70.6 Å²	70.6	53%	0.532	41%	0.413	S	S	.	.			trans	-74.9	106.2	177.8	29.2	-33.9	0	0	0	111.5	I201 K202	P43-I201 WeakPolarHBondContact CA-O 3.1Å; P43-K202 HydrophobicContact CB-CB 4.26Å; P43-K202 HydrophobicContact CB-CD 4.41Å; P43-K202 HydrophobicContact CB-CG 4.28Å
44	F	35.6	Very low	39.3	Very low	33 Å²	33	68.5 Å²	68.5	15%	0.145	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	152	170.3	49.5	-84	0	0	0	110.9	F38 K42 F46 V75 Q200 I201	F38-F44 HydrophobicContact CB-CD1 4.32Å; F38-F44 HydrophobicContact CB-CE1 4.04Å; F38-F44 HydrophobicContact CD1-CB 3.76Å; F38-F44 AromaticContact CD1-CD1 3.19Å; F38-F44 HydrophobicContact CD1-CD1 3.19Å; F38-F44 AromaticContact CD1-CD2 3.85Å; F38-F44 HydrophobicContact CD1-CD2 3.85Å; F38-F44 AromaticContact CD1-CE1 3.53Å; F38-F44 HydrophobicContact CD1-CE1 3.53Å; F38-F44 HydrophobicContact CD1-CE2 4.11Å; F38-F44 AromaticContact CD1-CG 3.35Å; F38-F44 HydrophobicContact CD1-CG 3.35Å; F38-F44 AromaticContact CD1-CZ 3.95Å; F38-F44 HydrophobicContact CD1-CZ 3.95Å; F38-F44 HydrophobicContact CD2-CE1 4.07Å; F38-F44 HydrophobicContact CD2-CE2 4.26Å; F38-F44 AromaticContact CD2-CZ 3.89Å; F38-F44 HydrophobicContact CD2-CZ 3.89Å; F38-F44 HydrophobicContact CE1-CB 3.56Å; F38-F44 AromaticContact CE1-CD1 3.68Å; F38-F44 HydrophobicContact CE1-CD1 3.68Å; F38-F44 AromaticContact CE1-CD2 3.42Å; F38-F44 HydrophobicContact CE1-CD2 3.42Å; F38-F44 VanDerWaalsContact CE1-CD2 3.42Å; F38-F44 HydrophobicContact CE1-CE1 4.12Å; F38-F44 AromaticContact CE1-CE2 3.86Å; F38-F44 HydrophobicContact CE1-CE2 3.86Å; F38-F44 AromaticContact CE1-CG 3.29Å; F38-F44 HydrophobicContact CE1-CG 3.29Å; F38-F44 HydrophobicContact CE1-CZ 4.18Å; F38-F44 HydrophobicContact CE2-CD2 4.49Å; F38-F44 HydrophobicContact CE2-CE2 4.15Å; F38-F44 HydrophobicContact CE2-CZ 4.23Å; F38-F44 AromaticContact CG-CD1 3.71Å; F38-F44 HydrophobicContact CG-CD1 3.71Å; F38-F44 AromaticContact CG-CE1 3.52Å; F38-F44 HydrophobicContact CG-CE1 3.52Å; F38-F44 HydrophobicContact CG-CE2 4.32Å; F38-F44 HydrophobicContact CG-CG 4.2Å; F38-F44 AromaticContact CG-CZ 3.83Å; F38-F44 HydrophobicContact CG-CZ 3.83Å; F38-F44 AromaticContact CZ-CD2 3.83Å; F38-F44 HydrophobicContact CZ-CD2 3.83Å; F38-F44 AromaticContact CZ-CE2 3.92Å; F38-F44 HydrophobicContact CZ-CE2 3.92Å; F38-F44 HydrophobicContact CZ-CG 4.17Å; F38-F44 HydrophobicContact CZ-CZ 4.35Å; K42-F44 VanDerWaalsContact O-CD1 3.28Å; K42-F44 WeakPolarHBondContact O-CD1 3.49Å; K42-F44 PolarHBondContact O-N 3.29Å; K42-F44 VanDerWaalsContact O-N 3.15Å; F44-F46 HydrophobicContact CD2-CD2 4.15Å; F44-F46 HydrophobicContact CD2-CE1 4.29Å; F44-F46 AromaticContact CD2-CE2 3.5Å; F44-F46 HydrophobicContact CD2-CE2 3.5Å; F44-F46 VanDerWaalsContact CD2-CE2 3.5Å; F44-F46 AromaticContact CD2-CZ 3.53Å; F44-F46 HydrophobicContact CD2-CZ 3.53Å; F44-F46 HydrophobicContact CE2-CD2 4.36Å; F44-F46 AromaticContact CE2-CE2 3.38Å; F44-F46 HydrophobicContact CE2-CE2 3.38Å; F44-F46 AromaticContact CE2-CZ 3.49Å; F44-F46 HydrophobicContact CE2-CZ 3.49Å; F44-F46 VanDerWaalsContact CE2-CZ 3.49Å; F44-V75 HydrophobicContact CE2-CB 4.37Å; F44-Q200 WeakPolarHBondContact O-CA 3.38Å; F44-Q200 WeakPolarHBondContact O-CG 3.29Å; F44-I201 HydrophobicContact CD2-CB 4.48Å; F44-I201 HydrophobicContact CE1-CB 3.94Å; F44-I201 HydrophobicContact CE1-CG2 4.22Å; F44-I201 HydrophobicContact CE2-CB 3.81Å; F44-I201 HydrophobicContact CE2-CD1 3.81Å; F44-I201 HydrophobicContact CE2-CG1 3.99Å; F44-I201 HydrophobicContact CZ-CB 3.52Å; F44-I201 HydrophobicContact CZ-CD1 3.76Å; F44-I201 HydrophobicContact CZ-CG1 4.03Å; F44-I201 HydrophobicContact CZ-CG2 3.99Å; F44-I201 PolarHBondContact O-N 3.3Å
45	Q	40.3	Very low	40.9	Very low	76 Å²	76	61.3 Å²	61.3	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	111.8	172.3	-174	-168.9	-54.9	0	0	108.8	L47 V199 Q200	Q45-L47 VanDerWaalsContact NE2-CG 3.35Å; Q45-V199 WeakPolarHBondContact CA-O 3.36Å; Q45-Q200 HydrophobicContact CB-CB 4.41Å; Q45-Q200 HydrophobicContact CG-CB 4.38Å
46	F	45.8	Very low	42.6	Very low	12 Å²	12	56.5 Å²	56.5	5%	0.053	33%	0.332	C	S	.	.			trans	-73.9	145.2	167.9	-53.7	-74	0	0	0	110.7	I36 F38 F44 V75 I77 G198 V199	I36-F46 HydrophobicContact CD1-CE1 4.33Å; F38-F46 HydrophobicContact CE1-CE1 4.28Å; F38-F46 HydrophobicContact CE1-CZ 4.17Å; F38-F46 HydrophobicContact CE2-CE1 4.45Å; F38-F46 AromaticContact CE2-CZ 3.99Å; F38-F46 HydrophobicContact CE2-CZ 3.99Å; F38-F46 AromaticContact CZ-CE1 3.56Å; F38-F46 HydrophobicContact CZ-CE1 3.56Å; F38-F46 AromaticContact CZ-CZ 3.4Å; F38-F46 HydrophobicContact CZ-CZ 3.4Å; F38-F46 VanDerWaalsContact CZ-CZ 3.4Å; F44-F46 HydrophobicContact CD2-CD2 4.15Å; F44-F46 HydrophobicContact CD2-CE1 4.29Å; F44-F46 AromaticContact CD2-CE2 3.5Å; F44-F46 HydrophobicContact CD2-CE2 3.5Å; F44-F46 VanDerWaalsContact CD2-CE2 3.5Å; F44-F46 AromaticContact CD2-CZ 3.53Å; F44-F46 HydrophobicContact CD2-CZ 3.53Å; F44-F46 HydrophobicContact CE2-CD2 4.36Å; F44-F46 AromaticContact CE2-CE2 3.38Å; F44-F46 HydrophobicContact CE2-CE2 3.38Å; F44-F46 AromaticContact CE2-CZ 3.49Å; F44-F46 HydrophobicContact CE2-CZ 3.49Å; F44-F46 VanDerWaalsContact CE2-CZ 3.49Å; F46-V75 WeakPolarHBondContact CE1-O 3.42Å; F46-V75 HydrophobicContact CE2-CB 3.86Å; F46-V75 HydrophobicContact CE2-CG1 3.6Å; F46-V75 HydrophobicContact CZ-CB 3.68Å; F46-V75 HydrophobicContact CZ-CG1 3.8Å; F46-V75 WeakPolarHBondContact CZ-O 3.44Å; F46-I77 HydrophobicContact CB-CB 4.31Å; F46-I77 HydrophobicContact CB-CD1 3.57Å; F46-I77 HydrophobicContact CB-CG1 3.86Å; F46-I77 HydrophobicContact CB-CG2 3.46Å; F46-I77 VanDerWaalsContact CB-CG2 3.46Å; F46-I77 HydrophobicContact CD1-CG1 4.36Å; F46-I77 HydrophobicContact CD1-CG2 3.84Å; F46-I77 HydrophobicContact CD2-CG2 3.42Å; F46-I77 VanDerWaalsContact CD2-CG2 3.42Å; F46-I77 HydrophobicContact CE1-CG2 4.39Å; F46-I77 HydrophobicContact CE2-CG2 4.01Å; F46-I77 HydrophobicContact CG-CB 4.42Å; F46-I77 HydrophobicContact CG-CD1 4.48Å; F46-I77 HydrophobicContact CG-CG1 4.27Å; F46-I77 HydrophobicContact CG-CG2 3.32Å; F46-I77 HydrophobicContact CZ-CG2 4.49Å; F46-G198 WeakPolarHBondContact O-CA 3.18Å; F46-V199 HydrophobicContact CD2-CB 4.23Å; F46-V199 WeakPolarHBondContact CD2-O 3.49Å; F46-V199 PolarHBondContact N-O 2.95Å
47	L	47.7	Very low	44.1	Very low	91 Å²	91	53.9 Å²	53.9	48%	0.476	32%	0.319	S	S	.	.			trans	-140.3	137.6	169.1	-75.4	177.2	0	0	0	109	Q45 V197 K209	Q45-L47 VanDerWaalsContact NE2-CG 3.35Å; L47-V197 WeakPolarHBondContact CA-O 2.93Å; L47-K209 HydrophobicContact CD2-CD 4.21Å
48	C	49.2	Very low	45.8	Very low	19 Å²	19	49.5 Å²	49.5	13%	0.128	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-74.8	147.6	164.2	-68.4	0	0	0	0	111.3	Q52 A53 V54 C79 V197	C48-Q52 HydrophobicContact CB-CB 3.87Å; C48-A53 PolarHBondContact SG-O 3.28Å; C48-V54 PolarHBondContact SG-N 2.83Å; C48-V54 VanDerWaalsContact SG-N 3.43Å; C48-C79 WeakPolarHBondContact CA-SG 3.1Å; C48-C79 HydrophobicContact CB-CB 3.78Å; C48-C79 WeakPolarHBondContact CB-SG 2.99Å; C48-C79 VanDerWaalsContact SG-CA 3.59Å; C48-C79 WeakPolarHBondContact SG-CB 3.21Å; C48-C79 CovalentContact SG-SG 2.04Å; C48-C79 PolarHBondContact SG-SG 3.25Å; C48-V197 PolarHBondContact N-O 2.04Å
49	P	48	Very low	47	Very low	76 Å²	76	48.5 Å²	48.5	49%	0.494	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-48.3	155.2	164.7	-28.9	34.4	0	0	0	113.2	G51 Q52	P49-G51 PolarHBondContact O-N 2.88Å; P49-Q52 HydrophobicContact CB-CG 4.37Å; P49-Q52 VanDerWaalsContact CD-OE1 3.3Å; P49-Q52 WeakPolarHBondContact O-CB 3.41Å; P49-Q52 PolarHBondContact O-N 2.99Å
50	L	47.9	Very low	48.3	Very low	174 Å²	174	48.6 Å²	48.6	91%	0.911	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	134.9	175.5	-71.3	167.8	0	0	0	110.7	Q52	L50-Q52 VanDerWaalsContact C-N 3.31Å
51	G	49.1	Very low	49.4	Very low	40 Å²	40	46.2 Å²	46.2	41%	0.412	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-2.7	-174.4	0	0	0	0	0	115	P49 L82	P49-G51 PolarHBondContact O-N 2.88Å; G51-L82 WeakPolarHBondContact O-CB 3.38Å; G51-L82 PolarHBondContact O-N 2.84Å; G51-L82 VanDerWaalsContact O-N 3.07Å
52	Q	56.4	Low	50.3	Low	19 Å²	19	45.1 Å²	45.1	9%	0.089	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	155.2	175.7	-59.9	-172.6	-10.9	0	0	111.8	C48 P49 L50 C79 Q80 N81 L159	C48-Q52 HydrophobicContact CB-CB 3.87Å; P49-Q52 HydrophobicContact CB-CG 4.37Å; P49-Q52 VanDerWaalsContact CD-OE1 3.3Å; P49-Q52 WeakPolarHBondContact O-CB 3.41Å; P49-Q52 PolarHBondContact O-N 2.99Å; L50-Q52 VanDerWaalsContact C-N 3.31Å; Q52-C79 HydrophobicContact CB-CB 4.18Å; Q52-Q80 WeakPolarHBondContact CA-O 3.31Å; Q52-Q80 VanDerWaalsContact CB-O 3.3Å; Q52-Q80 WeakPolarHBondContact CB-O 3.39Å; Q52-N81 WeakPolarHBondContact CG-OD1 3.05Å; Q52-N81 PolarHBondContact NE2-OD1 2.91Å; Q52-L159 WeakPolarHBondContact O-CD1 3.03Å
53	A	56	Low	50.9	Low	1 Å²	1	44.3 Å²	44.3	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	163	167.4	0	0	0	0	0	110.7	C48 A55 C79 Q80 L82 F122 A195	C48-A53 PolarHBondContact SG-O 3.28Å; A53-A55 PolarHBondContact O-N 3.37Å; A53-C79 WeakPolarHBondContact O-CA 3.33Å; A53-Q80 PolarHBondContact N-O 2.82Å; A53-Q80 VanDerWaalsContact N-O 3.13Å; A53-Q80 PolarHBondContact O-N 3.43Å; A53-L82 HydrophobicContact CB-CD1 3.85Å; A53-L82 HydrophobicContact CB-CD2 3.65Å; A53-L82 HydrophobicContact CB-CG 4.04Å; A53-F122 HydrophobicContact CB-CB 3.69Å; A53-F122 HydrophobicContact CB-CD2 4.48Å; A53-F122 HydrophobicContact CB-CG 4.25Å; A53-A195 HydrophobicContact CB-CB 4.18Å
54	V	61.4	Low	51.2	Low	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	117.3	172.1	-178.6	0	0	0	0	107.8	C48 G56 L57 I77 H78 F122 V123 L196	C48-V54 PolarHBondContact SG-N 2.83Å; C48-V54 VanDerWaalsContact SG-N 3.43Å; V54-G56 WeakPolarHBondContact CG1-O 3.24Å; V54-L57 HydrophobicContact CG1-CD2 4.16Å; V54-I77 HydrophobicContact CG2-CD1 4.06Å; V54-H78 CarbonylContact C-O 3.55Å; V54-F122 WeakPolarHBondContact O-CA 3.5Å; V54-V123 HydrophobicContact CB-CB 4.48Å; V54-V123 HydrophobicContact CG1-CB 4.39Å; V54-V123 HydrophobicContact CG1-CG2 4.12Å; V54-V123 WeakPolarHBondContact O-CB 3.37Å; V54-V123 WeakPolarHBondContact O-CG2 3.3Å; V54-V123 PolarHBondContact O-N 3.11Å; V54-L196 HydrophobicContact CB-CB 4.34Å; V54-L196 HydrophobicContact CB-CD2 4.05Å; V54-L196 HydrophobicContact CB-CG 4.19Å; V54-L196 HydrophobicContact CG1-CD2 4Å; V54-L196 HydrophobicContact CG2-CD2 4.26Å; V54-L196 HydrophobicContact CG2-CG 4.09Å; V54-L196 WeakPolarHBondContact CG2-O 3.37Å; V54-L196 PolarHBondContact N-O 2.85Å; V54-L196 VanDerWaalsContact N-O 3.14Å
55	A	65.3	Low	51	Low	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-2	175.3	0	0	0	0	0	112.6	A53 H78 Q80 N116 C117	A53-A55 PolarHBondContact O-N 3.37Å; A55-H78 PolarHBondContact N-O 3.13Å; A55-Q80 HydrophobicContact CB-CB 3.77Å; A55-Q80 VanDerWaalsContact CB-CD 3.45Å; A55-Q80 HydrophobicContact CB-CG 3.47Å; A55-Q80 VanDerWaalsContact CB-CG 3.47Å; A55-N116 CarbonylContact O-C 3.57Å; A55-N116 VanDerWaalsContact O-CA 3.27Å; A55-N116 WeakPolarHBondContact O-CA 3.08Å; A55-C117 PolarHBondContact O-N 3.49Å
56	G	63.1	Low	50.7	Low	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175	169.1	175.9	0	0	0	0	0	112.6	V54 H78 K115	V54-G56 WeakPolarHBondContact CG1-O 3.24Å; G56-H78 PolarHBondContact N-O 2.95Å; G56-H78 PolarHBondContact O-N 3.4Å; G56-K115 CarbonylContact C-O 3.5Å; G56-K115 WeakPolarHBondContact CA-O 3.19Å
57	L	61.8	Low	49.9	Very low	8 Å²	8	55.9 Å²	55.9	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146	164.4	-51.9	177.4	0	0	0	108.9	V54 S76 I77 F103 K115 F149 V199	V54-L57 HydrophobicContact CG1-CD2 4.16Å; L57-S76 WeakPolarHBondContact CA-O 3.21Å; L57-I77 HydrophobicContact CD2-CB 4.09Å; L57-I77 HydrophobicContact CD2-CG2 3.45Å; L57-I77 VanDerWaalsContact CD2-CG2 3.45Å; L57-F103 HydrophobicContact CD1-CZ 4.33Å; L57-K115 PolarHBondContact N-O 3.14Å; L57-K115 PolarHBondContact O-N 3.02Å; L57-F149 HydrophobicContact CB-CZ 3.72Å; L57-F149 HydrophobicContact CD1-CE1 3.59Å; L57-F149 HydrophobicContact CD1-CZ 3.54Å; L57-F149 HydrophobicContact CG-CE1 3.73Å; L57-F149 HydrophobicContact CG-CE2 4.48Å; L57-F149 HydrophobicContact CG-CZ 3.39Å; L57-V199 HydrophobicContact CD2-CG2 4.36Å
58	K	61.6	Low	49.2	Very low	33 Å²	33	61.2 Å²	61.2	14%	0.143	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.2	164.3	161.3	178.6	166.7	166.9	0	107.6	D35 V75 S76 E112 S113 K114	D35-K58 WeakPolarHBondContact OD1-CE 3.47Å; D35-K58 IonicContact OD1-NZ 2.71Å; D35-K58 IonicContact OD2-NZ 3.57Å; D35-K58 PolarHBondContact OD2-NZ 3.2Å; K58-V75 CarbonylContact O-C 3.34Å; K58-V75 WeakPolarHBondContact O-CA 3.35Å; K58-V75 WeakPolarHBondContact O-CG1 3.32Å; K58-S76 WeakPolarHBondContact CB-OG 3.45Å; K58-S76 PolarHBondContact N-O 3.37Å; K58-S76 PolarHBondContact O-N 2.83Å; K58-E112 HydrophobicContact CD-CG 4.28Å; K58-E112 VanDerWaalsContact CD-OE1 3.32Å; K58-E112 WeakPolarHBondContact CD-OE1 3.17Å; K58-E112 WeakPolarHBondContact CE-OE1 3.11Å; K58-E112 WeakPolarHBondContact CE-OE2 3.22Å; K58-E112 HydrophobicContact CG-CG 4.28Å; K58-E112 IonicContact NZ-OE1 3.82Å; K58-E112 PolarHBondContact NZ-OE1 2.04Å; K58-E112 IonicContact NZ-OE2 3.79Å; K58-E112 PolarHBondContact NZ-OE2 2.81Å; K58-S113 CarbonylContact C-O 3.44Å; K58-S113 VanDerWaalsContact CA-O 3.23Å; K58-S113 WeakPolarHBondContact CA-O 3.4Å; K58-K114 HydrophobicContact CB-CB 4.39Å; K58-K114 HydrophobicContact CB-CG 4.3Å
59	W	59.5	Low	48.7	Very low	3 Å²	3	64.1 Å²	64.1	1%	0.011	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.7	159.2	65.7	78.4	0	0	0	111.3	F73 A74 V75 F103 S104 I105 E112 S113	W59-F73 HydrophobicContact CB-CE2 3.64Å; W59-F73 HydrophobicContact CB-CZ 3.71Å; W59-F73 AromaticContact CD1-CE2 3.61Å; W59-F73 AromaticContact CG-CE2 3.69Å; W59-F73 HydrophobicContact CG-CE2 3.69Å; W59-F73 AromaticContact CG-CZ 3.85Å; W59-F73 HydrophobicContact CG-CZ 3.85Å; W59-A74 CarbonylContact C-O 3.58Å; W59-A74 WeakPolarHBondContact CA-O 3.33Å; W59-A74 WeakPolarHBondContact CB-O 3.17Å; W59-V75 HydrophobicContact CB-CB 4.5Å; W59-V75 HydrophobicContact CB-CG2 4.12Å; W59-F103 HydrophobicContact CE3-CD2 4.49Å; W59-F103 HydrophobicContact CH2-CB 3.85Å; W59-F103 AromaticContact CH2-CD2 3.23Å; W59-F103 HydrophobicContact CH2-CD2 3.23Å; W59-F103 HydrophobicContact CH2-CE2 4.03Å; W59-F103 AromaticContact CH2-CG 3.93Å; W59-F103 HydrophobicContact CH2-CG 3.93Å; W59-F103 HydrophobicContact CZ2-CD2 4.39Å; W59-F103 HydrophobicContact CZ3-CB 4.48Å; W59-F103 AromaticContact CZ3-CD2 3.27Å; W59-F103 HydrophobicContact CZ3-CD2 3.27Å; W59-F103 AromaticContact CZ3-CE2 3.59Å; W59-F103 HydrophobicContact CZ3-CE2 3.59Å; W59-F103 HydrophobicContact CZ3-CG 4.14Å; W59-S104 VanDerWaalsContact CZ2-O 3.27Å; W59-S104 WeakPolarHBondContact CZ2-O 3.39Å; W59-I105 HydrophobicContact CD2-CG1 3.7Å; W59-I105 HydrophobicContact CE3-CG1 4.06Å; W59-I105 HydrophobicContact CG-CG1 4.26Å; W59-I105 HydrophobicContact CH2-CG1 4.2Å; W59-I105 VanDerWaalsContact CZ2-CA 3.46Å; W59-I105 HydrophobicContact CZ2-CB 4.18Å; W59-I105 HydrophobicContact CZ2-CG1 3.79Å; W59-I105 HydrophobicContact CZ3-CG1 4.31Å; W59-E112 WeakPolarHBondContact O-CA 3.25Å; W59-S113 WeakPolarHBondContact CZ2-OG 3.14Å; W59-S113 PolarHBondContact N-O 3.13Å; W59-S113 PolarHBondContact O-N 3.03Å
60	K	53.5	Low	48.2	Very low	87 Å²	87	67.8 Å²	67.8	38%	0.378	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142	-179.6	177	172	179.2	177.3	0	108.6	L62 A74	K60-L62 HydrophobicContact CD-CD2 4.08Å; K60-L62 HydrophobicContact CG-CD2 4.09Å; K60-A74 PolarHBondContact N-O 3.11Å; K60-A74 WeakPolarHBondContact O-CA 3.07Å; K60-A74 WeakPolarHBondContact O-CB 3.49Å; K60-A74 PolarHBondContact O-N 3.06Å
61	W	50	Low	48	Very low	31 Å²	31	64.2 Å²	64.2	12%	0.117	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.9	166	-73.3	101.3	0	0	0	110.1	Q71 F73 S106 I109 M144	W61-Q71 HydrophobicContact CE3-CB 4Å; W61-Q71 HydrophobicContact CZ3-CB 3.79Å; W61-F73 HydrophobicContact CD2-CD2 4.35Å; W61-F73 HydrophobicContact CE3-CB 4.21Å; W61-F73 HydrophobicContact CZ3-CB 4.19Å; W61-S106 PolarHBondContact NE1-O 2.94Å; W61-I109 HydrophobicContact CB-CG2 4.29Å; W61-M144 HydrophobicContact CH2-CE 3.42Å; W61-M144 VanDerWaalsContact CH2-CE 3.42Å; W61-M144 HydrophobicContact CZ2-CE 3.24Å; W61-M144 HydrophobicContact CZ2-CG 4.36Å; W61-M144 HydrophobicContact CZ3-CE 4.39Å
62	L	44.8	Very low	47.7	Very low	37 Å²	37	63.8 Å²	63.8	19%	0.194	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.7	179.4	-64.1	-175.3	0	0	0	109.7	L37 K60 V64 D72 A74	L37-L62 HydrophobicContact CB-CD1 4.13Å; L37-L62 HydrophobicContact CD2-CD1 3.41Å; L37-L62 VanDerWaalsContact CD2-CD1 3.41Å; L37-L62 HydrophobicContact CG-CD1 3.39Å; K60-L62 HydrophobicContact CD-CD2 4.08Å; K60-L62 HydrophobicContact CG-CD2 4.09Å; L62-V64 PolarHBondContact O-N 3.26Å; L62-D72 PolarHBondContact N-O 2.84Å; L62-A74 HydrophobicContact CD1-CB 3.48Å; L62-A74 VanDerWaalsContact CD1-CB 3.48Å; L62-A74 HydrophobicContact CG-CB 3.73Å
63	P	41.6	Very low	47.2	Very low	109 Å²	109	64.5 Å²	64.5	71%	0.708	35%	0.354	S	S	*	.			trans	-69	107.8	175.2	28.2	-32.5	0	0	0	108.5
64	V	36.2	Very low	46.7	Very low	52 Å²	52	65 Å²	65	32%	0.315	36%	0.358	S	S	.	.			trans	-91.2	120.8	177.1	168.9	0	0	0	0	109.3	L62 K66 D72	L62-V64 PolarHBondContact O-N 3.26Å; V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 HydrophobicContact CG1-CB 4.43Å; V64-K66 PolarHBondContact O-N 2.93Å; V64-D72 HydrophobicContact CG2-CB 3.72Å
65	P	32.3	Very low	46.1	Very low	128 Å²	128	65.2 Å²	65.2	83%	0.831	36%	0.36	S	S	*	.			trans	-82.7	76.2	-179.2	33.2	-34.4	0	0	0	110.3
66	K	33.1	Very low	45.5	Very low	163 Å²	163	65.4 Å²	65.4	71%	0.709	36%	0.361	S	S	*	.	S	Bend	trans	-161.9	121.4	169.6	-105.5	155.3	-170.2	-178.6	0	111.9	V64	V64-K66 VanDerWaalsContact C-N 3.32Å; V64-K66 HydrophobicContact CG1-CB 4.43Å; V64-K66 PolarHBondContact O-N 2.93Å
67	S	30.2	Very low	45.1	Very low	102 Å²	102	66.2 Å²	66.2	71%	0.713	37%	0.365	S	S	*	.	S	Bend	trans	61.7	150.3	176.1	13.5	0	0	0	0	116.1	G69	S67-G69 PolarHBondContact O-N 2.04Å
68	E	31.2	Very low	45.2	Very low	204 Å²	204	67 Å²	67	95%	0.953	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	122.2	-179.2	-62.6	179.9	143.3	0	0	111.2
69	G	40.5	Very low	45	Very low	80 Å²	80	66.1 Å²	66.1	83%	0.825	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-8.9	162	0	0	0	0	0	118	S67	S67-G69 PolarHBondContact O-N 2.04Å
70	E	36.4	Very low	45	Very low	152 Å²	152	67.3 Å²	67.3	71%	0.71	37%	0.372	S	S	*	.			trans	-91.1	127.3	178.9	-64.8	-169	155.3	0	0	112.1
71	Q	43.7	Very low	45.1	Very low	100 Å²	100	67.5 Å²	67.5	47%	0.467	38%	0.377	S	S	.	.			trans	-118.3	125.4	176.5	-64.8	-177.5	6	0	0	109.9	W61	W61-Q71 HydrophobicContact CE3-CB 4Å; W61-Q71 HydrophobicContact CZ3-CB 3.79Å
72	D	43.9	Very low	45.3	Very low	30 Å²	30	67.2 Å²	67.2	16%	0.16	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	147.6	173.8	-86.4	-37.2	0	0	0	112.2	F38 D39 A40 L62 V64	F38-D72 WeakPolarHBondContact O-CB 3.32Å; D39-D72 WeakPolarHBondContact CA-OD1 3.22Å; A40-D72 PolarHBondContact N-OD1 2.93Å; L62-D72 PolarHBondContact N-O 2.84Å; V64-D72 HydrophobicContact CG2-CB 3.72Å
73	F	44.2	Very low	45.3	Very low	34 Å²	34	70.1 Å²	70.1	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.2	-175.7	176.7	-123.8	0	0	0	109.5	F38 W59 W61 V75 I105 M144	F38-F73 VanDerWaalsContact CD2-O 3.3Å; F38-F73 WeakPolarHBondContact CD2-O 3.29Å; W59-F73 HydrophobicContact CB-CE2 3.64Å; W59-F73 HydrophobicContact CB-CZ 3.71Å; W59-F73 AromaticContact CD1-CE2 3.61Å; W59-F73 AromaticContact CG-CE2 3.69Å; W59-F73 HydrophobicContact CG-CE2 3.69Å; W59-F73 AromaticContact CG-CZ 3.85Å; W59-F73 HydrophobicContact CG-CZ 3.85Å; W61-F73 HydrophobicContact CD2-CD2 4.35Å; W61-F73 HydrophobicContact CE3-CB 4.21Å; W61-F73 HydrophobicContact CZ3-CB 4.19Å; F73-V75 HydrophobicContact CD1-CG2 3.9Å; F73-V75 HydrophobicContact CE1-CG2 3.13Å; F73-V75 HydrophobicContact CE2-CG2 4.47Å; F73-V75 HydrophobicContact CZ-CG2 3.47Å; F73-V75 VanDerWaalsContact CZ-CG2 3.47Å; F73-I105 HydrophobicContact CE1-CD1 4.45Å; F73-I105 HydrophobicContact CE2-CG2 3.59Å; F73-I105 HydrophobicContact CZ-CD1 3.84Å; F73-I105 HydrophobicContact CZ-CG1 4.12Å; F73-I105 HydrophobicContact CZ-CG2 3.82Å; F73-M144 HydrophobicContact CD2-CE 4.2Å; F73-M144 HydrophobicContact CE2-CE 4.37Å; F73-M144 HydrophobicContact CG-CE 4.35Å
74	A	45.6	Very low	45.3	Very low	11 Å²	11	69.1 Å²	69.1	9%	0.091	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.7	174.2	0	0	0	0	0	111.3	I36 W59 K60 L62	I36-A74 WeakPolarHBondContact O-CB 3.21Å; W59-A74 CarbonylContact C-O 3.58Å; W59-A74 WeakPolarHBondContact CA-O 3.33Å; W59-A74 WeakPolarHBondContact CB-O 3.17Å; K60-A74 PolarHBondContact N-O 3.11Å; K60-A74 WeakPolarHBondContact O-CA 3.07Å; K60-A74 WeakPolarHBondContact O-CB 3.49Å; K60-A74 PolarHBondContact O-N 3.06Å; L62-A74 HydrophobicContact CD1-CB 3.48Å; L62-A74 VanDerWaalsContact CD1-CB 3.48Å; L62-A74 HydrophobicContact CG-CB 3.73Å
75	V	50.1	Low	45.1	Very low	6 Å²	6	70.7 Å²	70.7	4%	0.036	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.2	162.5	-175.5	0	0	0	0	110.1	F38 F44 F46 K58 W59 F73 I201	F38-V75 HydrophobicContact CE2-CB 4.29Å; F38-V75 WeakPolarHBondContact CE2-O 3.45Å; F38-V75 WeakPolarHBondContact CZ-O 3.5Å; F44-V75 HydrophobicContact CE2-CB 4.37Å; F46-V75 WeakPolarHBondContact CE1-O 3.42Å; F46-V75 HydrophobicContact CE2-CB 3.86Å; F46-V75 HydrophobicContact CE2-CG1 3.6Å; F46-V75 HydrophobicContact CZ-CB 3.68Å; F46-V75 HydrophobicContact CZ-CG1 3.8Å; F46-V75 WeakPolarHBondContact CZ-O 3.44Å; K58-V75 CarbonylContact O-C 3.34Å; K58-V75 WeakPolarHBondContact O-CA 3.35Å; K58-V75 WeakPolarHBondContact O-CG1 3.32Å; W59-V75 HydrophobicContact CB-CB 4.5Å; W59-V75 HydrophobicContact CB-CG2 4.12Å; F73-V75 HydrophobicContact CD1-CG2 3.9Å; F73-V75 HydrophobicContact CE1-CG2 3.13Å; F73-V75 HydrophobicContact CE2-CG2 4.47Å; F73-V75 HydrophobicContact CZ-CG2 3.47Å; F73-V75 VanDerWaalsContact CZ-CG2 3.47Å; V75-I201 HydrophobicContact CG2-CD1 3.94Å
76	S	51.5	Low	45	Very low	4 Å²	4	70.1 Å²	70.1	3%	0.028	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.6	164.2	60	0	0	0	0	110.5	Q34 D35 L57 K58	Q34-S76 WeakPolarHBondContact O-CB 3.01Å; D35-S76 WeakPolarHBondContact OD1-CB 3.35Å; D35-S76 PolarHBondContact OD1-OG 3.05Å; L57-S76 WeakPolarHBondContact CA-O 3.21Å; K58-S76 WeakPolarHBondContact CB-OG 3.45Å; K58-S76 PolarHBondContact N-O 3.37Å; K58-S76 PolarHBondContact O-N 2.83Å
77	I	54.5	Low	44.8	Very low	16 Å²	16	66 Å²	66	8%	0.082	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.8	177.2	71.3	161.3	0	0	0	109.9	F46 V54 L57 C79	F46-I77 HydrophobicContact CB-CB 4.31Å; F46-I77 HydrophobicContact CB-CD1 3.57Å; F46-I77 HydrophobicContact CB-CG1 3.86Å; F46-I77 HydrophobicContact CB-CG2 3.46Å; F46-I77 VanDerWaalsContact CB-CG2 3.46Å; F46-I77 HydrophobicContact CD1-CG1 4.36Å; F46-I77 HydrophobicContact CD1-CG2 3.84Å; F46-I77 HydrophobicContact CD2-CG2 3.42Å; F46-I77 VanDerWaalsContact CD2-CG2 3.42Å; F46-I77 HydrophobicContact CE1-CG2 4.39Å; F46-I77 HydrophobicContact CE2-CG2 4.01Å; F46-I77 HydrophobicContact CG-CB 4.42Å; F46-I77 HydrophobicContact CG-CD1 4.48Å; F46-I77 HydrophobicContact CG-CG1 4.27Å; F46-I77 HydrophobicContact CG-CG2 3.32Å; F46-I77 HydrophobicContact CZ-CG2 4.49Å; V54-I77 HydrophobicContact CG2-CD1 4.06Å; L57-I77 HydrophobicContact CD2-CB 4.09Å; L57-I77 HydrophobicContact CD2-CG2 3.45Å; L57-I77 VanDerWaalsContact CD2-CG2 3.45Å; I77-C79 WeakPolarHBondContact CD1-SG 3.33Å
78	H	64.6	Low	44.9	Very low	25 Å²	25	67 Å²	67	12%	0.116	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.9	167.4	-162.5	-45.6	0	0	0	108.2	V54 A55 G56 N116	V54-H78 CarbonylContact C-O 3.55Å; A55-H78 PolarHBondContact N-O 3.13Å; G56-H78 PolarHBondContact N-O 2.95Å; G56-H78 PolarHBondContact O-N 3.4Å; H78-N116 PolarHBondContact CD2-ND2 2.74Å
79	C	58.5	Low	45.1	Very low	14 Å²	14	59.1 Å²	59.1	10%	0.095	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.6	169.9	-61.7	0	0	0	0	109.8	C48 Q52 A53 I77	C48-C79 WeakPolarHBondContact CA-SG 3.1Å; C48-C79 HydrophobicContact CB-CB 3.78Å; C48-C79 WeakPolarHBondContact CB-SG 2.99Å; C48-C79 VanDerWaalsContact SG-CA 3.59Å; C48-C79 WeakPolarHBondContact SG-CB 3.21Å; C48-C79 CovalentContact SG-SG 2.04Å; C48-C79 PolarHBondContact SG-SG 3.25Å; Q52-C79 HydrophobicContact CB-CB 4.18Å; A53-C79 WeakPolarHBondContact O-CA 3.33Å; I77-C79 WeakPolarHBondContact CD1-SG 3.33Å
80	Q	58.8	Low	45	Very low	29 Å²	29	55.6 Å²	55.6	14%	0.136	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.9	168.3	-72.9	178.8	23.6	0	0	109.8	Q52 A53 A55 L82 G120	Q52-Q80 WeakPolarHBondContact CA-O 3.31Å; Q52-Q80 VanDerWaalsContact CB-O 3.3Å; Q52-Q80 WeakPolarHBondContact CB-O 3.39Å; A53-Q80 PolarHBondContact N-O 2.82Å; A53-Q80 VanDerWaalsContact N-O 3.13Å; A53-Q80 PolarHBondContact O-N 3.43Å; A55-Q80 HydrophobicContact CB-CB 3.77Å; A55-Q80 VanDerWaalsContact CB-CD 3.45Å; A55-Q80 HydrophobicContact CB-CG 3.47Å; A55-Q80 VanDerWaalsContact CB-CG 3.47Å; Q80-L82 PolarHBondContact O-N 2.76Å; Q80-G120 VanDerWaalsContact OE1-N 3.07Å
81	N	55.4	Low	45.1	Very low	91 Å²	91	54 Å²	54	49%	0.487	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	130.9	170.1	-68	-28.2	0	0	0	109.5	Q52	Q52-N81 WeakPolarHBondContact CG-OD1 3.05Å; Q52-N81 PolarHBondContact NE2-OD1 2.91Å
82	L	53.3	Low	45.2	Very low	24 Å²	24	50.3 Å²	50.3	13%	0.126	30%	0.3	C	S	.	.			trans	-81.6	123.7	170.7	-60.7	173.1	0	0	0	107.5	G51 A53 Q80 S84 F122 I157 L159	G51-L82 WeakPolarHBondContact O-CB 3.38Å; G51-L82 PolarHBondContact O-N 2.84Å; G51-L82 VanDerWaalsContact O-N 3.07Å; A53-L82 HydrophobicContact CB-CD1 3.85Å; A53-L82 HydrophobicContact CB-CD2 3.65Å; A53-L82 HydrophobicContact CB-CG 4.04Å; Q80-L82 PolarHBondContact O-N 2.76Å; L82-S84 PolarHBondContact O-N 3.07Å; L82-F122 HydrophobicContact CD2-CB 4.33Å; L82-F122 HydrophobicContact CD2-CD1 4.4Å; L82-F122 HydrophobicContact CD2-CG 4.47Å; L82-I157 HydrophobicContact CB-CB 4.2Å; L82-I157 HydrophobicContact CB-CG2 4.39Å; L82-I157 HydrophobicContact CD1-CB 4.18Å; L82-I157 HydrophobicContact CD1-CD1 4.07Å; L82-I157 HydrophobicContact CD1-CG2 3.61Å; L82-I157 HydrophobicContact CD2-CD1 3.69Å; L82-I157 HydrophobicContact CG-CD1 4.3Å; L82-L159 HydrophobicContact CD1-CD1 3.52Å; L82-L159 HydrophobicContact CD1-CG 3.76Å
83	V	45.8	Very low	45.1	Very low	98 Å²	98	51.5 Å²	51.5	59%	0.594	31%	0.308	S	S	*	.			trans	-63.3	107.5	-179.3	-177.5	0	0	0	0	108.9	I85	V83-I85 HydrophobicContact CG1-CG1 4.5Å
84	S	41.8	Very low	45.3	Very low	89 Å²	89	54 Å²	54	62%	0.622	32%	0.322	S	S	*	.			trans	-97.8	95.3	-179.4	160.9	0	0	0	0	109.2	L82 P86	L82-S84 PolarHBondContact O-N 3.07Å; S84-P86 WeakPolarHBondContact O-CD 3.22Å
85	I	31.1	Very low	45.4	Very low	84 Å²	84	60.5 Å²	60.5	43%	0.431	36%	0.356	S	S	.	.			trans	-76.6	121.2	165.4	-53.3	-174.8	0	0	0	108.1	V83 G87 N156	V83-I85 HydrophobicContact CG1-CG1 4.5Å; I85-G87 PolarHBondContact O-N 3Å; I85-N156 WeakPolarHBondContact CB-OD1 3.42Å; I85-N156 WeakPolarHBondContact CD1-OD1 3.01Å; I85-N156 WeakPolarHBondContact CG1-OD1 3.49Å
86	P	31.2	Very low	46	Very low	117 Å²	117	61.8 Å²	61.8	76%	0.76	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	133.1	177.6	-25.1	35.1	0	0	0	112	S84 Q88	S84-P86 WeakPolarHBondContact O-CD 3.22Å; P86-Q88 PolarHBondContact O-N 2.79Å
87	G	29.6	Very low	46.6	Very low	75 Å²	75	63.5 Å²	63.5	77%	0.773	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-17.3	170.4	0	0	0	0	0	117	I85	I85-G87 PolarHBondContact O-N 3Å
88	Q	31.4	Very low	47.2	Very low	124 Å²	124	66.3 Å²	66.3	58%	0.579	39%	0.387	S	S	*	.			trans	-102.3	138.7	179.7	-64.5	-169	2.1	0	0	113.3	P86 N156	P86-Q88 PolarHBondContact O-N 2.79Å; Q88-N156 VanDerWaalsContact CB-ND2 3.32Å; Q88-N156 WeakPolarHBondContact CB-ND2 3.36Å; Q88-N156 PolarHBondContact OE1-ND2 2.9Å
89	S	34.8	Very low	47.3	Very low	39 Å²	39	69.7 Å²	69.7	27%	0.273	41%	0.406	S	S	.	.			trans	-81.3	159	173.7	37.2	0	0	0	0	112.4	I91 N156	S89-I91 PolarHBondContact O-N 2.79Å; S89-N156 PolarHBondContact O-ND2 3.28Å
90	A	39	Very low	47.5	Very low	5 Å²	5	69.5 Å²	69.5	4%	0.041	41%	0.405	C	S	.	.			trans	-65	113.9	178.8	0	0	0	0	0	111.9	F92 N156	A90-F92 HydrophobicContact CB-CD2 4.21Å; A90-F92 HydrophobicContact CB-CE2 3.78Å; A90-N156 WeakPolarHBondContact CA-O 3.3Å; A90-N156 WeakPolarHBondContact CB-O 3.05Å
91	I	37.7	Very low	47.5	Very low	119 Å²	119	74.7 Å²	74.7	61%	0.61	43%	0.429	S	S	*	.			trans	-109.5	121.3	165.7	-57.9	178.3	0	0	0	107.4	S89	S89-I91 PolarHBondContact O-N 2.79Å
92	F	46.5	Very low	47.4	Very low	23 Å²	23	73.4 Å²	73.4	10%	0.101	42%	0.422	C	S	.	.			trans	-115.8	115	176.7	-73	-81.3	0	0	0	109.7	A90 F122 A154 I157 K193 F213	A90-F92 HydrophobicContact CB-CD2 4.21Å; A90-F92 HydrophobicContact CB-CE2 3.78Å; F92-F122 AromaticContact CE1-CE1 3.61Å; F92-F122 HydrophobicContact CE1-CE1 3.61Å; F92-F122 AromaticContact CE1-CZ 3.51Å; F92-F122 HydrophobicContact CE1-CZ 3.51Å; F92-F122 HydrophobicContact CZ-CE1 4Å; F92-F122 AromaticContact CZ-CZ 3.71Å; F92-F122 HydrophobicContact CZ-CZ 3.71Å; F92-A154 HydrophobicContact CE1-CB 3.69Å; F92-A154 HydrophobicContact CZ-CB 3.98Å; F92-I157 HydrophobicContact CE1-CD1 4.49Å; F92-I157 HydrophobicContact CE2-CG1 4.24Å; F92-I157 HydrophobicContact CZ-CD1 3.85Å; F92-I157 HydrophobicContact CZ-CG1 3.59Å; F92-K193 HydrophobicContact CB-CD 3.49Å; F92-K193 VanDerWaalsContact CB-CD 3.49Å; F92-K193 VanDerWaalsContact CB-NZ 3.32Å; F92-K193 HydrophobicContact CD2-CB 4.41Å; F92-K193 HydrophobicContact CD2-CD 3.94Å; F92-K193 HydrophobicContact CG-CD 3.88Å; F92-K193 PolarHBondContact O-NZ 2.94Å; F92-F213 HydrophobicContact CD2-CD2 4.28Å; F92-F213 HydrophobicContact CE1-CE2 4.34Å; F92-F213 AromaticContact CE2-CD2 3.32Å; F92-F213 HydrophobicContact CE2-CD2 3.32Å; F92-F213 AromaticContact CE2-CE2 3.42Å; F92-F213 HydrophobicContact CE2-CE2 3.42Å; F92-F213 VanDerWaalsContact CE2-CE2 3.42Å; F92-F213 HydrophobicContact CE2-CG 4.05Å; F92-F213 HydrophobicContact CE2-CZ 4.22Å; F92-F213 AromaticContact CZ-CD2 3.75Å; F92-F213 HydrophobicContact CZ-CD2 3.75Å; F92-F213 AromaticContact CZ-CE2 3.3Å; F92-F213 HydrophobicContact CZ-CE2 3.3Å; F92-F213 AromaticContact CZ-CZ 3.8Å; F92-F213 HydrophobicContact CZ-CZ 3.8Å
93	T	42.3	Very low	47.5	Very low	54 Å²	54	72.4 Å²	72.4	33%	0.331	42%	0.416	S	S	.	.			trans	-80.9	131	160.3	51	0	0	0	0	108.6	D95 S96	T93-D95 PolarHBondContact O-N 2.82Å; T93-S96 PolarHBondContact O-N 3.26Å; T93-S96 VanDerWaalsContact O-N 3.15Å; T93-S96 PolarHBondContact O-OG 3.1Å
94	D	47.7	Very low	47.6	Very low	86 Å²	86	69.6 Å²	69.6	46%	0.46	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-59.4	-27	176.7	-90.5	32.8	0	0	0	111.4	S96 C97 R182 K193	D94-S96 PolarHBondContact O-N 3.49Å; D94-C97 PolarHBondContact O-N 2.83Å; D94-R182 IonicContact OD2-NH2 3.47Å; D94-K193 VanDerWaalsContact OD1-CE 3.29Å; D94-K193 WeakPolarHBondContact OD1-CE 3.13Å; D94-K193 IonicContact OD1-NZ 3.58Å; D94-K193 PolarHBondContact OD1-NZ 3.19Å
95	D	48.5	Very low	48	Very low	149 Å²	149	65.8 Å²	65.8	80%	0.797	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-54.8	-12	173.8	-37.8	-41.1	0	0	0	114.7	T93	T93-D95 PolarHBondContact O-N 2.82Å
96	S	61.5	Low	48.6	Very low	32 Å²	32	62.9 Å²	62.9	22%	0.224	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-108.9	16.7	179.9	67.4	0	0	0	0	114.1	T93 D94 K153	T93-S96 PolarHBondContact O-N 3.26Å; T93-S96 VanDerWaalsContact O-N 3.15Å; T93-S96 PolarHBondContact O-OG 3.1Å; D94-S96 PolarHBondContact O-N 3.49Å; S96-K153 PolarHBondContact O-N 3Å; S96-K153 PolarHBondContact OG-O 2.75Å
97	C	64.9	Low	48.9	Very low	41 Å²	41	61.9 Å²	61.9	28%	0.277	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.3	173.1	-63.3	0	0	0	0	111.6	D94 T150 C151 C152	D94-C97 PolarHBondContact O-N 2.83Å; C97-T150 HydrophobicContact CB-CG2 4.42Å; C97-C151 CarbonylContact C-O 3.51Å; C97-C151 VanDerWaalsContact CA-O 3.24Å; C97-C151 WeakPolarHBondContact CA-O 3.47Å; C97-C152 HydrophobicContact CB-CB 4.15Å; C97-C152 WeakPolarHBondContact CB-SG 3.38Å; C97-C152 WeakPolarHBondContact SG-CB 2.95Å; C97-C152 CovalentContact SG-SG 2.04Å; C97-C152 PolarHBondContact SG-SG 2.62Å
98	Y	67.5	Low	49.5	Very low	74 Å²	74	63.9 Å²	63.9	29%	0.29	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.2	172.1	69.8	-87.9	0	0	0	110.9	R118 E121 C151	Y98-R118 PolarHBondContact OH-N 2.92Å; Y98-E121 WeakPolarHBondContact CE1-OE2 3.19Å; Y98-E121 PolarHBondContact OH-OE2 2.79Å; Y98-E121 VanDerWaalsContact OH-OE2 3.13Å; Y98-C151 HydrophobicContact CD1-CB 4.28Å; Y98-C151 HydrophobicContact CE1-CB 3.82Å; Y98-C151 HydrophobicContact CE2-CB 4.05Å; Y98-C151 PolarHBondContact N-O 2.94Å; Y98-C151 PolarHBondContact O-N 3.32Å; Y98-C151 VanDerWaalsContact O-O 3.14Å
99	N	65.5	Low	50	Low	97 Å²	97	61.8 Å²	61.8	52%	0.519	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.7	171.3	-63.6	-43.8	0	0	0	109.2	R148 F149 T150	N99-R148 HydrophobicContact CB-CG 4.42Å; N99-F149 CarbonylContact C-O 3.5Å; N99-F149 WeakPolarHBondContact CA-O 3.49Å; N99-T150 PolarHBondContact OD1-OG1 2.77Å
100	S	62.4	Low	50.3	Low	10 Å²	10	69.1 Å²	69.1	7%	0.07	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-57.2	164.4	173.1	75.7	0	0	0	0	111	R148 F149	S100-R148 VanDerWaalsContact O-CD 3.23Å; S100-R148 WeakPolarHBondContact O-CD 3.14Å; S100-R148 WeakPolarHBondContact O-CG 3.49Å; S100-F149 PolarHBondContact N-O 3.49Å; S100-F149 PolarHBondContact OG-N 3.43Å
101	E	59.5	Low	50.7	Low	138 Å²	138	73.3 Å²	73.3	65%	0.645	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-53.5	148.6	160.5	-68.8	177.2	162.2	0	0	110.3	F103 K115	E101-F103 PolarHBondContact O-N 3.3Å; E101-K115 IonicContact OE2-NZ 3.28Å; E101-K115 PolarHBondContact OE2-NZ 3.29Å
102	L	53.3	Low	51.3	Low	64 Å²	64	71.9 Å²	71.9	34%	0.335	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.7	136.9	174.9	-175.7	150.2	0	0	0	109.1	V129 R146	L102-V129 HydrophobicContact CD1-CB 4.29Å; L102-V129 HydrophobicContact CD1-CG1 3.85Å; L102-V129 HydrophobicContact CD1-CG2 3.61Å; L102-V129 HydrophobicContact CG-CG2 4Å; L102-R146 HydrophobicContact CD2-CG 4.32Å
103	F	54.6	Low	51.6	Low	3 Å²	3	71.5 Å²	71.5	1%	0.013	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.3	-177.4	79.6	-109.8	0	0	0	108.6	L57 W59 E101 K115 L126 M147 F149	L57-F103 HydrophobicContact CD1-CZ 4.33Å; W59-F103 HydrophobicContact CE3-CD2 4.49Å; W59-F103 HydrophobicContact CH2-CB 3.85Å; W59-F103 AromaticContact CH2-CD2 3.23Å; W59-F103 HydrophobicContact CH2-CD2 3.23Å; W59-F103 HydrophobicContact CH2-CE2 4.03Å; W59-F103 AromaticContact CH2-CG 3.93Å; W59-F103 HydrophobicContact CH2-CG 3.93Å; W59-F103 HydrophobicContact CZ2-CD2 4.39Å; W59-F103 HydrophobicContact CZ3-CB 4.48Å; W59-F103 AromaticContact CZ3-CD2 3.27Å; W59-F103 HydrophobicContact CZ3-CD2 3.27Å; W59-F103 AromaticContact CZ3-CE2 3.59Å; W59-F103 HydrophobicContact CZ3-CE2 3.59Å; W59-F103 HydrophobicContact CZ3-CG 4.14Å; E101-F103 PolarHBondContact O-N 3.3Å; F103-K115 HydrophobicContact CB-CB 4.5Å; F103-K115 HydrophobicContact CB-CG 3.8Å; F103-L126 HydrophobicContact CE1-CD1 4.33Å; F103-L126 HydrophobicContact CZ-CD1 4.01Å; F103-M147 HydrophobicContact CD1-CB 4.23Å; F103-M147 VanDerWaalsContact CD1-O 3.28Å; F103-M147 WeakPolarHBondContact CD1-O 3.38Å; F103-M147 HydrophobicContact CD2-CB 3.94Å; F103-M147 HydrophobicContact CE1-CB 3.65Å; F103-M147 HydrophobicContact CE2-CB 3.42Å; F103-M147 VanDerWaalsContact CE2-CB 3.42Å; F103-M147 HydrophobicContact CE2-CG 4.17Å; F103-M147 HydrophobicContact CE2-SD 4Å; F103-M147 HydrophobicContact CG-CB 4.37Å; F103-M147 WeakPolarHBondContact CG-O 3.39Å; F103-M147 HydrophobicContact CZ-CB 3.25Å; F103-M147 HydrophobicContact CZ-CG 4.19Å; F103-M147 HydrophobicContact CZ-SD 3.97Å; F103-M147 PolarHBondContact N-O 3.06Å; F103-M147 PolarHBondContact O-N 2.76Å; F103-F149 AromaticContact CD1-CD2 3.97Å; F103-F149 HydrophobicContact CD1-CD2 3.97Å; F103-F149 HydrophobicContact CD1-CE1 4.44Å; F103-F149 AromaticContact CD1-CE2 3.68Å; F103-F149 HydrophobicContact CD1-CE2 3.68Å; F103-F149 HydrophobicContact CD1-CG 4.45Å; F103-F149 AromaticContact CD1-CZ 3.91Å; F103-F149 HydrophobicContact CD1-CZ 3.91Å; F103-F149 AromaticContact CE1-CD1 3.66Å; F103-F149 HydrophobicContact CE1-CD1 3.66Å; F103-F149 AromaticContact CE1-CD2 3.66Å; F103-F149 HydrophobicContact CE1-CD2 3.66Å; F103-F149 AromaticContact CE1-CE1 3.32Å; F103-F149 HydrophobicContact CE1-CE1 3.32Å; F103-F149 AromaticContact CE1-CE2 3.32Å; F103-F149 HydrophobicContact CE1-CE2 3.32Å; F103-F149 AromaticContact CE1-CG 3.8Å; F103-F149 HydrophobicContact CE1-CG 3.8Å; F103-F149 AromaticContact CE1-CZ 3.11Å; F103-F149 HydrophobicContact CE1-CZ 3.11Å; F103-F149 HydrophobicContact CE2-CZ 4.11Å; F103-F149 HydrophobicContact CZ-CD1 4.16Å; F103-F149 AromaticContact CZ-CE1 3.39Å; F103-F149 HydrophobicContact CZ-CE1 3.39Å; F103-F149 AromaticContact CZ-CE2 3.88Å; F103-F149 HydrophobicContact CZ-CE2 3.88Å; F103-F149 AromaticContact CZ-CZ 3.2Å; F103-F149 HydrophobicContact CZ-CZ 3.2Å
104	S	48.8	Very low	52.5	Low	39 Å²	39	74.2 Å²	74.2	27%	0.273	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.5	174.9	-160.7	0	0	0	0	106.7	W59 S106 R146	W59-S104 VanDerWaalsContact CZ2-O 3.27Å; W59-S104 WeakPolarHBondContact CZ2-O 3.39Å; S104-S106 PolarHBondContact O-N 2.77Å; S104-R146 WeakPolarHBondContact OG-CG 3.03Å
105	I	50.2	Low	53.4	Low	9 Å²	9	72.5 Å²	72.5	5%	0.046	36%	0.364	C	S	.	.			trans	-60.1	114.8	161.8	-62.7	158.4	0	0	0	105.3	W59 F73 M144 P145 M147	W59-I105 HydrophobicContact CD2-CG1 3.7Å; W59-I105 HydrophobicContact CE3-CG1 4.06Å; W59-I105 HydrophobicContact CG-CG1 4.26Å; W59-I105 HydrophobicContact CH2-CG1 4.2Å; W59-I105 VanDerWaalsContact CZ2-CA 3.46Å; W59-I105 HydrophobicContact CZ2-CB 4.18Å; W59-I105 HydrophobicContact CZ2-CG1 3.79Å; W59-I105 HydrophobicContact CZ3-CG1 4.31Å; F73-I105 HydrophobicContact CE1-CD1 4.45Å; F73-I105 HydrophobicContact CE2-CG2 3.59Å; F73-I105 HydrophobicContact CZ-CD1 3.84Å; F73-I105 HydrophobicContact CZ-CG1 4.12Å; F73-I105 HydrophobicContact CZ-CG2 3.82Å; I105-M144 HydrophobicContact CB-CB 3.92Å; I105-M144 HydrophobicContact CB-CG 4.25Å; I105-M144 HydrophobicContact CB-SD 4.21Å; I105-M144 HydrophobicContact CD1-SD 4.48Å; I105-M144 HydrophobicContact CG2-CB 3.95Å; I105-M144 HydrophobicContact CG2-CE 3.91Å; I105-M144 HydrophobicContact CG2-CG 3.72Å; I105-M144 HydrophobicContact CG2-SD 3.59Å; I105-M144 VanDerWaalsContact CG2-SD 3.59Å; I105-M144 WeakPolarHBondContact O-CB 3.45Å; I105-P145 HydrophobicContact CD1-CG 4.13Å; I105-M147 HydrophobicContact CD1-CE 4.48Å
106	S	43.4	Very low	54.3	Low	23 Å²	23	68 Å²	68	16%	0.161	34%	0.34	C	S	.	.			trans	-85.8	135.7	-176.8	-174.1	0	0	0	0	108.9	W61 S104 Q108	W61-S106 PolarHBondContact NE1-O 2.94Å; S104-S106 PolarHBondContact O-N 2.77Å; S106-Q108 PolarHBondContact O-N 2.89Å; S106-Q108 PolarHBondContact OG-N 3.28Å
107	D	38.7	Very low	54.7	Low	95 Å²	95	66.8 Å²	66.8	51%	0.508	33%	0.331	S	S	.	.	S	Bend	trans	-69.8	-3.3	170.9	23.3	-62.3	0	0	0	112.7	I109	D107-I109 PolarHBondContact O-N 3.42Å
108	Q	42.4	Very low	55	Low	118 Å²	118	72.8 Å²	72.8	55%	0.551	35%	0.348	S	S	*	.			trans	-73.7	114.8	168.9	-68.3	178.9	-21.2	0	0	111.3	S106 E110 F111	S106-Q108 PolarHBondContact O-N 2.89Å; S106-Q108 PolarHBondContact OG-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.14Å; Q108-E110 VanDerWaalsContact O-N 3.11Å; Q108-F111 HydrophobicContact CB-CB 4.03Å; Q108-F111 VanDerWaalsContact O-CB 3.27Å; Q108-F111 WeakPolarHBondContact O-CB 3.08Å; Q108-F111 PolarHBondContact O-N 2.92Å
109	I	41.5	Very low	54.8	Low	80 Å²	80	75.2 Å²	75.2	41%	0.41	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	-176.4	-58.4	165.7	0	0	0	112.7	W61 D107	W61-I109 HydrophobicContact CB-CG2 4.29Å; D107-I109 PolarHBondContact O-N 3.42Å
110	E	41.1	Very low	54.6	Low	192 Å²	192	72 Å²	72	90%	0.897	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.6	179.9	-59.4	-171.9	146.8	0	0	113.9	Q108 E112	Q108-E110 PolarHBondContact O-N 3.14Å; Q108-E110 VanDerWaalsContact O-N 3.11Å; E110-E112 PolarHBondContact O-N 2.8Å
111	F	46.7	Very low	55	Low	93 Å²	93	72.3 Å²	72.3	41%	0.408	36%	0.361	S	S	.	.			trans	-87.9	96.4	-168	-144.5	-84.5	0	0	0	112.8	Q108 S113	Q108-F111 HydrophobicContact CB-CB 4.03Å; Q108-F111 VanDerWaalsContact O-CB 3.27Å; Q108-F111 WeakPolarHBondContact O-CB 3.08Å; Q108-F111 PolarHBondContact O-N 2.92Å; F111-S113 PolarHBondContact O-N 2.85Å
112	E	50	Low	55.3	Low	89 Å²	89	65.9 Å²	65.9	42%	0.416	33%	0.331	S	S	.	.			trans	-70.9	115.7	157.9	177.5	167.5	153.9	0	0	108.9	K58 W59 E110	K58-E112 HydrophobicContact CD-CG 4.28Å; K58-E112 VanDerWaalsContact CD-OE1 3.32Å; K58-E112 WeakPolarHBondContact CD-OE1 3.17Å; K58-E112 WeakPolarHBondContact CE-OE1 3.11Å; K58-E112 WeakPolarHBondContact CE-OE2 3.22Å; K58-E112 HydrophobicContact CG-CG 4.28Å; K58-E112 IonicContact NZ-OE1 3.82Å; K58-E112 PolarHBondContact NZ-OE1 2.04Å; K58-E112 IonicContact NZ-OE2 3.79Å; K58-E112 PolarHBondContact NZ-OE2 2.81Å; W59-E112 WeakPolarHBondContact O-CA 3.25Å; E110-E112 PolarHBondContact O-N 2.8Å
113	S	54.1	Low	55.9	Low	15 Å²	15	62.8 Å²	62.8	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.7	166.5	-154.5	0	0	0	0	109.5	K58 W59 F111	K58-S113 CarbonylContact C-O 3.44Å; K58-S113 VanDerWaalsContact CA-O 3.23Å; K58-S113 WeakPolarHBondContact CA-O 3.4Å; W59-S113 WeakPolarHBondContact CZ2-OG 3.14Å; W59-S113 PolarHBondContact N-O 3.13Å; W59-S113 PolarHBondContact O-N 3.03Å; F111-S113 PolarHBondContact O-N 2.85Å
114	K	60.6	Low	56.1	Low	111 Å²	111	63.4 Å²	63.4	48%	0.483	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.1	175.2	-176.1	179.1	-179.2	-178.6	0	108.4	K58	K58-K114 HydrophobicContact CB-CB 4.39Å; K58-K114 HydrophobicContact CB-CG 4.3Å
115	K	65.9	Low	56.5	Low	51 Å²	51	61.6 Å²	61.6	22%	0.222	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	109.8	173.2	-72.7	-63	-172.6	-167.6	0	109.4	G56 L57 E101 F103 F149	G56-K115 CarbonylContact C-O 3.5Å; G56-K115 WeakPolarHBondContact CA-O 3.19Å; L57-K115 PolarHBondContact N-O 3.14Å; L57-K115 PolarHBondContact O-N 3.02Å; E101-K115 IonicContact OE2-NZ 3.28Å; E101-K115 PolarHBondContact OE2-NZ 3.29Å; F103-K115 HydrophobicContact CB-CB 4.5Å; F103-K115 HydrophobicContact CB-CG 3.8Å; K115-F149 HydrophobicContact CB-CD2 4.35Å; K115-F149 HydrophobicContact CB-CE2 3.83Å; K115-F149 WeakPolarHBondContact O-CE2 3.17Å
116	N	68.6	Low	56.7	Low	53 Å²	53	61.3 Å²	61.3	28%	0.283	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.4	173.5	-70.1	2	0	0	0	110.1	A55 H78	A55-N116 CarbonylContact O-C 3.57Å; A55-N116 VanDerWaalsContact O-CA 3.27Å; A55-N116 WeakPolarHBondContact O-CA 3.08Å; H78-N116 PolarHBondContact CD2-ND2 2.74Å
117	C	69.2	Low	57.1	Low	7 Å²	7	61.4 Å²	61.4	5%	0.047	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.4	168.3	153.1	-53.6	0	0	0	0	110	A55 E121 C151	A55-C117 PolarHBondContact O-N 3.49Å; C117-E121 HydrophobicContact CB-CB 3.66Å; C117-C151 WeakPolarHBondContact CA-SG 3.32Å; C117-C151 HydrophobicContact CB-CB 3.59Å; C117-C151 WeakPolarHBondContact CB-SG 3.19Å; C117-C151 VanDerWaalsContact SG-CA 3.51Å; C117-C151 WeakPolarHBondContact SG-CB 3.39Å; C117-C151 CovalentContact SG-SG 2.04Å; C117-C151 PolarHBondContact SG-SG 3.49Å
118	R	70.5	Confident	57.5	Low	167 Å²	167	57.6 Å²	57.6	63%	0.63	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-68.4	165.2	176.8	-59.3	154.4	173.9	-176	-2.4	110	Y98 G120 E121	Y98-R118 PolarHBondContact OH-N 2.92Å; R118-G120 PolarHBondContact O-N 2.83Å; R118-E121 HydrophobicContact CB-CG 4.21Å; R118-E121 WeakPolarHBondContact CB-OE2 3.33Å; R118-E121 WeakPolarHBondContact CD-OE1 3.13Å; R118-E121 PolarHBondContact N-OE2 3.17Å; R118-E121 VanDerWaalsContact O-CB 3.31Å; R118-E121 WeakPolarHBondContact O-CB 3.47Å; R118-E121 PolarHBondContact O-N 3.41Å
119	V	64.1	Low	57.7	Low	125 Å²	125	53 Å²	53	76%	0.758	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	128.2	178.9	-179.1	0	0	0	0	110
120	G	60.9	Low	57.6	Low	31 Å²	31	53.7 Å²	53.7	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	10.2	-176.5	0	0	0	0	0	114.7	Q80 R118	Q80-G120 VanDerWaalsContact OE1-N 3.07Å; R118-G120 PolarHBondContact O-N 2.83Å
121	E	71.3	Confident	57.5	Low	15 Å²	15	47.5 Å²	47.5	7%	0.07	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	159.6	172.3	-57.5	177.3	168	0	0	110.8	Y98 C117 R118 C152 K153	Y98-E121 WeakPolarHBondContact CE1-OE2 3.19Å; Y98-E121 PolarHBondContact OH-OE2 2.79Å; Y98-E121 VanDerWaalsContact OH-OE2 3.13Å; C117-E121 HydrophobicContact CB-CB 3.66Å; R118-E121 HydrophobicContact CB-CG 4.21Å; R118-E121 WeakPolarHBondContact CB-OE2 3.33Å; R118-E121 WeakPolarHBondContact CD-OE1 3.13Å; R118-E121 PolarHBondContact N-OE2 3.17Å; R118-E121 VanDerWaalsContact O-CB 3.31Å; R118-E121 WeakPolarHBondContact O-CB 3.47Å; R118-E121 PolarHBondContact O-N 3.41Å; E121-C152 WeakPolarHBondContact CA-O 3.31Å; E121-C152 WeakPolarHBondContact CB-O 2.98Å; E121-K153 HydrophobicContact CG-CB 3.93Å; E121-K153 HydrophobicContact CG-CG 4.25Å
122	F	66.2	Low	57.1	Low	3 Å²	3	51.1 Å²	51.1	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.2	179.6	65.4	-74.8	0	0	0	110.7	A53 V54 L82 F92 H124 C151 C152 A154 I157 A195 F213	A53-F122 HydrophobicContact CB-CB 3.69Å; A53-F122 HydrophobicContact CB-CD2 4.48Å; A53-F122 HydrophobicContact CB-CG 4.25Å; V54-F122 WeakPolarHBondContact O-CA 3.5Å; L82-F122 HydrophobicContact CD2-CB 4.33Å; L82-F122 HydrophobicContact CD2-CD1 4.4Å; L82-F122 HydrophobicContact CD2-CG 4.47Å; F92-F122 AromaticContact CE1-CE1 3.61Å; F92-F122 HydrophobicContact CE1-CE1 3.61Å; F92-F122 AromaticContact CE1-CZ 3.51Å; F92-F122 HydrophobicContact CE1-CZ 3.51Å; F92-F122 HydrophobicContact CZ-CE1 4Å; F92-F122 AromaticContact CZ-CZ 3.71Å; F92-F122 HydrophobicContact CZ-CZ 3.71Å; F122-H124 HydrophobicContact CE2-CB 3.91Å; F122-H124 HydrophobicContact CZ-CB 4.43Å; F122-H124 PolarHBondContact O-N 3.14Å; F122-H124 VanDerWaalsContact O-N 3.14Å; F122-C151 WeakPolarHBondContact O-CA 3.43Å; F122-C152 WeakPolarHBondContact CD1-O 3.39Å; F122-C152 HydrophobicContact CE1-CB 4.01Å; F122-C152 WeakPolarHBondContact CE1-O 3.29Å; F122-C152 HydrophobicContact CZ-CB 3.87Å; F122-C152 PolarHBondContact N-O 2.83Å; F122-C152 PolarHBondContact O-N 3.15Å; F122-A154 HydrophobicContact CD1-CB 4.42Å; F122-A154 HydrophobicContact CE1-CB 3.93Å; F122-I157 HydrophobicContact CD1-CD1 3.8Å; F122-I157 HydrophobicContact CE1-CD1 3.62Å; F122-I157 HydrophobicContact CG-CD1 4.44Å; F122-I157 HydrophobicContact CZ-CD1 4.06Å; F122-A195 HydrophobicContact CD2-CB 4Å; F122-A195 HydrophobicContact CE2-CB 4.19Å; F122-F213 HydrophobicContact CD2-CZ 4.46Å; F122-F213 AromaticContact CE2-CE2 3.99Å; F122-F213 HydrophobicContact CE2-CE2 3.99Å; F122-F213 AromaticContact CE2-CZ 3.71Å; F122-F213 HydrophobicContact CE2-CZ 3.71Å; F122-F213 AromaticContact CZ-CE2 3.91Å; F122-F213 HydrophobicContact CZ-CE2 3.91Å; F122-F213 AromaticContact CZ-CZ 3.81Å; F122-F213 HydrophobicContact CZ-CZ 3.81Å
123	V	64.4	Low	56.3	Low	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	105.8	171.7	-178.3	0	0	0	0	108	V54 G125 F149 T150 L196	V54-V123 HydrophobicContact CB-CB 4.48Å; V54-V123 HydrophobicContact CG1-CB 4.39Å; V54-V123 HydrophobicContact CG1-CG2 4.12Å; V54-V123 WeakPolarHBondContact O-CB 3.37Å; V54-V123 WeakPolarHBondContact O-CG2 3.3Å; V54-V123 PolarHBondContact O-N 3.11Å; V123-G125 WeakPolarHBondContact CG1-O 3.23Å; V123-F149 HydrophobicContact CG1-CB 4.1Å; V123-F149 HydrophobicContact CG1-CD1 3.65Å; V123-F149 HydrophobicContact CG1-CE1 4.49Å; V123-F149 HydrophobicContact CG1-CG 4.13Å; V123-F149 HydrophobicContact CG2-CB 4.27Å; V123-F149 HydrophobicContact CG2-CD1 4.03Å; V123-F149 HydrophobicContact CG2-CD2 4.5Å; V123-F149 HydrophobicContact CG2-CG 4.01Å; V123-T150 CarbonylContact C-O 3.58Å; V123-L196 HydrophobicContact CB-CB 4.1Å; V123-L196 HydrophobicContact CB-CD2 3.93Å; V123-L196 HydrophobicContact CG1-CB 4.03Å; V123-L196 HydrophobicContact CG1-CD2 3.47Å; V123-L196 VanDerWaalsContact CG1-CD2 3.47Å; V123-L196 HydrophobicContact CG1-CG 4.39Å; V123-L196 WeakPolarHBondContact O-CB 3.43Å; V123-L196 PolarHBondContact O-N 3.05Å
124	H	60.5	Low	55.3	Low	16 Å²	16	56.8 Å²	56.8	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-24.3	172.3	178.2	54.9	0	0	0	111.9	F122 T150 C152 G179 A180 S194 F210	F122-H124 HydrophobicContact CE2-CB 3.91Å; F122-H124 HydrophobicContact CZ-CB 4.43Å; F122-H124 PolarHBondContact O-N 3.14Å; F122-H124 VanDerWaalsContact O-N 3.14Å; H124-T150 PolarHBondContact N-O 2.82Å; H124-C152 HydrophobicContact CB-CB 3.93Å; H124-C152 WeakPolarHBondContact CB-SG 3.25Å; H124-C152 VanDerWaalsContact CD2-SG 3.56Å; H124-C152 VanDerWaalsContact CG-SG 3.56Å; H124-G179 WeakPolarHBondContact O-CA 3.2Å; H124-A180 VanDerWaalsContact NE2-CB 3.33Å; H124-A180 WeakPolarHBondContact NE2-CB 3.27Å; H124-S194 PolarHBondContact CE1-O 2.9Å; H124-S194 PolarHBondContact ND1-O 2.69Å; H124-F210 VanDerWaalsContact O-CE1 3.22Å; H124-F210 WeakPolarHBondContact O-CE1 3.33Å
125	G	56.5	Low	54.1	Low	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	161.9	-174.5	0	0	0	0	0	114.8	V123 F149 T150 F178	V123-G125 WeakPolarHBondContact CG1-O 3.23Å; G125-F149 CarbonylContact O-C 3.47Å; G125-F149 WeakPolarHBondContact O-CA 3.12Å; G125-T150 PolarHBondContact N-O 2.99Å; G125-T150 PolarHBondContact O-N 3.13Å; G125-F178 CarbonylContact C-O 3.55Å; G125-F178 WeakPolarHBondContact CA-O 3.46Å
126	L	54.8	Low	52.7	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.1	173.5	-170.6	76.3	0	0	0	107	F103 M147 R148 F149 F178 T206	F103-L126 HydrophobicContact CE1-CD1 4.33Å; F103-L126 HydrophobicContact CZ-CD1 4.01Å; L126-M147 HydrophobicContact CD1-CB 4.43Å; L126-M147 HydrophobicContact CD1-SD 4.12Å; L126-M147 HydrophobicContact CD2-SD 4.19Å; L126-M147 HydrophobicContact CG-SD 4.49Å; L126-R148 CarbonylContact C-O 3.39Å; L126-R148 WeakPolarHBondContact CA-O 3.47Å; L126-F149 HydrophobicContact CD1-CD1 3.71Å; L126-F149 HydrophobicContact CD1-CE1 3.61Å; L126-F178 HydrophobicContact CB-CB 4.31Å; L126-F178 HydrophobicContact CB-CD2 4.39Å; L126-F178 PolarHBondContact N-O 3.04Å; L126-F178 WeakPolarHBondContact O-CA 3.42Å; L126-F178 WeakPolarHBondContact O-CB 3.3Å; L126-F178 WeakPolarHBondContact O-CD2 2.99Å; L126-F178 PolarHBondContact O-N 3.23Å; L126-T206 HydrophobicContact CD2-CG2 3.86Å
127	S	50.7	Low	51.1	Low	25 Å²	25	58.4 Å²	58.4	18%	0.175	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.3	169.9	53.7	0	0	0	0	110.1	M147 R148	S127-M147 CarbonylContact O-C 3.58Å; S127-M147 VanDerWaalsContact O-CA 3.25Å; S127-M147 WeakPolarHBondContact O-CA 3.07Å; S127-R148 PolarHBondContact N-O 3.18Å; S127-R148 PolarHBondContact O-N 3.47Å; S127-R148 PolarHBondContact OG-O 2.76Å
128	G	46.7	Very low	49.3	Very low	15 Å²	15	61.4 Å²	61.4	16%	0.155	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	150.4	165.9	0	0	0	0	0	110.2
129	V	46.6	Very low	47.3	Very low	20 Å²	20	57.9 Å²	57.9	12%	0.121	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-94.5	129.7	177.8	-176.9	0	0	0	0	110	L102 R146	L102-V129 HydrophobicContact CD1-CB 4.29Å; L102-V129 HydrophobicContact CD1-CG1 3.85Å; L102-V129 HydrophobicContact CD1-CG2 3.61Å; L102-V129 HydrophobicContact CG-CG2 4Å; V129-R146 HydrophobicContact CB-CB 3.81Å; V129-R146 HydrophobicContact CG2-CB 3.92Å; V129-R146 PolarHBondContact N-O 3.35Å
130	Y	40.8	Very low	45.6	Very low	96 Å²	96	58.4 Å²	58.4	38%	0.376	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.5	171.5	-60.4	-101	0	0	0	108.2	E134 R135 E174	Y130-E134 CarbonylContact C-O 3.49Å; Y130-E134 WeakPolarHBondContact CA-O 3.07Å; Y130-R135 HydrophobicContact CD1-CB 3.74Å; Y130-R135 HydrophobicContact CD1-CG 4.24Å; Y130-R135 HydrophobicContact CE1-CB 3.69Å; Y130-R135 HydrophobicContact CE1-CG 4.02Å; Y130-R135 PolarHBondContact OH-NH1 3.34Å; Y130-E174 PolarHBondContact OH-O 2.81Å
131	E	37.8	Very low	44.1	Very low	61 Å²	61	60.3 Å²	60.3	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.4	171.8	-77.5	-179.4	-173	0	0	107.3	G133 E134 K136 R146	E131-G133 VanDerWaalsContact C-N 3.27Å; E131-G133 PolarHBondContact O-N 3.17Å; E131-E134 PolarHBondContact N-O 2.03Å; E131-E134 PolarHBondContact O-N 2.92Å; E131-K136 HydrophobicContact CB-CD 4.47Å; E131-K136 WeakPolarHBondContact OE2-CD 3.27Å; E131-K136 WeakPolarHBondContact OE2-CE 3.36Å; E131-K136 IonicContact OE2-NZ 3.19Å; E131-K136 PolarHBondContact OE2-NZ 3.15Å; E131-R146 IonicContact OE1-CZ 2.64Å; E131-R146 IonicContact OE1-NH1 2.79Å; E131-R146 PolarHBondContact OE1-NH1 2.81Å; E131-R146 IonicContact OE2-NH1 2.9Å
132	N	38.7	Very low	42.4	Very low	170 Å²	170	66.1 Å²	66.1	91%	0.909	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	29.9	-177	-54.9	-17.2	0	0	0	115.1	E134	N132-E134 PolarHBondContact O-N 2.95Å
133	G	32.5	Very low	40.8	Very low	70 Å²	70	67.5 Å²	67.5	72%	0.722	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-25.5	-178.3	0	0	0	0	0	113.6	E131	E131-G133 VanDerWaalsContact C-N 3.27Å; E131-G133 PolarHBondContact O-N 3.17Å
134	E	33.2	Very low	39.9	Very low	153 Å²	153	69.7 Å²	69.7	72%	0.715	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.4	165.2	-66.5	-171.1	160.7	0	0	110.8	Y130 E131 N132	Y130-E134 CarbonylContact C-O 3.49Å; Y130-E134 WeakPolarHBondContact CA-O 3.07Å; E131-E134 PolarHBondContact N-O 2.03Å; E131-E134 PolarHBondContact O-N 2.92Å; N132-E134 PolarHBondContact O-N 2.95Å
135	R	36.7	Very low	39.2	Very low	53 Å²	53	70 Å²	70	20%	0.2	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.5	167.6	-173.4	154.7	171.7	169.3	-4.6	108.3	Y130 Y137 V173	Y130-R135 HydrophobicContact CD1-CB 3.74Å; Y130-R135 HydrophobicContact CD1-CG 4.24Å; Y130-R135 HydrophobicContact CE1-CB 3.69Å; Y130-R135 HydrophobicContact CE1-CG 4.02Å; Y130-R135 PolarHBondContact OH-NH1 3.34Å; R135-Y137 HydrophobicContact CB-CD2 4.01Å; R135-Y137 HydrophobicContact CB-CE2 4.45Å; R135-Y137 HydrophobicContact CG-CD1 4.44Å; R135-Y137 HydrophobicContact CG-CD2 3.68Å; R135-Y137 HydrophobicContact CG-CE2 4Å; R135-Y137 HydrophobicContact CG-CG 3.95Å; R135-Y137 PolarHBondContact NH1-OH 2.95Å; R135-Y137 PolarHBondContact NH2-OH 2.96Å; R135-Y137 PolarHBondContact O-N 3.26Å; R135-V173 PolarHBondContact NH1-O 3.27Å
136	K	37	Very low	38.9	Very low	106 Å²	106	74 Å²	74	46%	0.461	42%	0.424	S	S	.	.			trans	-72.7	67.5	160.4	-81.2	-169.6	172.6	170	0	110.2	E131	E131-K136 HydrophobicContact CB-CD 4.47Å; E131-K136 WeakPolarHBondContact OE2-CD 3.27Å; E131-K136 WeakPolarHBondContact OE2-CE 3.36Å; E131-K136 IonicContact OE2-NZ 3.19Å; E131-K136 PolarHBondContact OE2-NZ 3.15Å
137	Y	34.2	Very low	38.9	Very low	90 Å²	90	74.7 Å²	74.7	35%	0.353	43%	0.427	S	S	.	.			trans	-69.7	146.9	143.4	-74.5	-57.1	0	0	0	107.9	R135 S139	R135-Y137 HydrophobicContact CB-CD2 4.01Å; R135-Y137 HydrophobicContact CB-CE2 4.45Å; R135-Y137 HydrophobicContact CG-CD1 4.44Å; R135-Y137 HydrophobicContact CG-CD2 3.68Å; R135-Y137 HydrophobicContact CG-CE2 4Å; R135-Y137 HydrophobicContact CG-CG 3.95Å; R135-Y137 PolarHBondContact NH1-OH 2.95Å; R135-Y137 PolarHBondContact NH2-OH 2.96Å; R135-Y137 PolarHBondContact O-N 3.26Å; Y137-S139 PolarHBondContact O-N 2.96Å
138	V	32	Very low	39.3	Very low	70 Å²	70	77.6 Å²	77.6	42%	0.424	43%	0.434	S	S	.	.			trans	-38.1	110.4	171.3	-157.1	0	0	0	0	110.8	G143	V138-G143 WeakPolarHBondContact CA-O 3.23Å; V138-G143 WeakPolarHBondContact CB-O 3.49Å; V138-G143 WeakPolarHBondContact CG1-O 3.48Å; V138-G143 VanDerWaalsContact CG2-O 3.32Å; V138-G143 WeakPolarHBondContact CG2-O 3.28Å; V138-G143 PolarHBondContact N-O 3.14Å
139	S	27.9	Very low	40.2	Very low	93 Å²	93	76.9 Å²	76.9	65%	0.65	43%	0.427	S	S	*	.			trans	-57	126.5	158.2	-175.6	0	0	0	0	106.3	Y137 G141 I142	Y137-S139 PolarHBondContact O-N 2.96Å; S139-G141 PolarHBondContact O-N 3.03Å; S139-I142 PolarHBondContact O-N 3.35Å
140	P	27.4	Very low	41.1	Very low	135 Å²	135	77.2 Å²	77.2	88%	0.877	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	99.1	-166.1	22.8	-33.8	0	0	0	110.3
141	G	31.3	Very low	42.5	Very low	72 Å²	72	72.7 Å²	72.7	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.5	-41.8	-174.2	0	0	0	0	0	116.1	S139	S139-G141 PolarHBondContact O-N 3.03Å
142	I	33.9	Very low	43.9	Very low	136 Å²	136	69.8 Å²	69.8	70%	0.697	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	-44.4	-160.7	-50.1	-177.3	0	0	0	117.4	S139 M144	S139-I142 PolarHBondContact O-N 3.35Å; I142-M144 PolarHBondContact O-N 3.07Å
143	G	34.1	Very low	45.3	Very low	32 Å²	32	67.1 Å²	67.1	33%	0.33	38%	0.378	S	S	.	.			trans	-98.5	95.5	-159.1	0	0	0	0	0	118.1	V138	V138-G143 WeakPolarHBondContact CA-O 3.23Å; V138-G143 WeakPolarHBondContact CB-O 3.49Å; V138-G143 WeakPolarHBondContact CG1-O 3.48Å; V138-G143 VanDerWaalsContact CG2-O 3.32Å; V138-G143 WeakPolarHBondContact CG2-O 3.28Å; V138-G143 PolarHBondContact N-O 3.14Å
144	M	43.6	Very low	46.3	Very low	47 Å²	47	64.7 Å²	64.7	23%	0.232	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-51.5	149.5	177.8	-89.7	-76.5	-162.2	0	0	115.6	W61 F73 I105 I142 R146	W61-M144 HydrophobicContact CH2-CE 3.42Å; W61-M144 VanDerWaalsContact CH2-CE 3.42Å; W61-M144 HydrophobicContact CZ2-CE 3.24Å; W61-M144 HydrophobicContact CZ2-CG 4.36Å; W61-M144 HydrophobicContact CZ3-CE 4.39Å; F73-M144 HydrophobicContact CD2-CE 4.2Å; F73-M144 HydrophobicContact CE2-CE 4.37Å; F73-M144 HydrophobicContact CG-CE 4.35Å; I105-M144 HydrophobicContact CB-CB 3.92Å; I105-M144 HydrophobicContact CB-CG 4.25Å; I105-M144 HydrophobicContact CB-SD 4.21Å; I105-M144 HydrophobicContact CD1-SD 4.48Å; I105-M144 HydrophobicContact CG2-CB 3.95Å; I105-M144 HydrophobicContact CG2-CE 3.91Å; I105-M144 HydrophobicContact CG2-CG 3.72Å; I105-M144 HydrophobicContact CG2-SD 3.59Å; I105-M144 VanDerWaalsContact CG2-SD 3.59Å; I105-M144 WeakPolarHBondContact O-CB 3.45Å; I142-M144 PolarHBondContact O-N 3.07Å; M144-R146 PolarHBondContact O-N 3.41Å
145	P	46.6	Very low	47.1	Very low	23 Å²	23	66.2 Å²	66.2	15%	0.149	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-72.4	129	-170.4	27	-31.5	0	0	0	113.6	I105 M147	I105-P145 HydrophobicContact CD1-CG 4.13Å; P145-M147 HydrophobicContact CB-CE 4.17Å; P145-M147 HydrophobicContact CG-CE 3.92Å
146	R	50	Low	47.5	Very low	84 Å²	84	64.1 Å²	64.1	32%	0.317	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.8	171.7	-72.5	178.1	176.9	-168.3	-1.6	111.2	L102 S104 V129 E131 M144	L102-R146 HydrophobicContact CD2-CG 4.32Å; S104-R146 WeakPolarHBondContact OG-CG 3.03Å; V129-R146 HydrophobicContact CB-CB 3.81Å; V129-R146 HydrophobicContact CG2-CB 3.92Å; V129-R146 PolarHBondContact N-O 3.35Å; E131-R146 IonicContact OE1-CZ 2.64Å; E131-R146 IonicContact OE1-NH1 2.79Å; E131-R146 PolarHBondContact OE1-NH1 2.81Å; E131-R146 IonicContact OE2-NH1 2.9Å; M144-R146 PolarHBondContact O-N 3.41Å
147	M	55.8	Low	47.9	Very low	17 Å²	17	59.5 Å²	59.5	8%	0.084	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	169.6	-179.1	-63.3	-178.6	-151.7	0	0	111.5	F103 I105 L126 S127 P145 T206	F103-M147 HydrophobicContact CD1-CB 4.23Å; F103-M147 VanDerWaalsContact CD1-O 3.28Å; F103-M147 WeakPolarHBondContact CD1-O 3.38Å; F103-M147 HydrophobicContact CD2-CB 3.94Å; F103-M147 HydrophobicContact CE1-CB 3.65Å; F103-M147 HydrophobicContact CE2-CB 3.42Å; F103-M147 VanDerWaalsContact CE2-CB 3.42Å; F103-M147 HydrophobicContact CE2-CG 4.17Å; F103-M147 HydrophobicContact CE2-SD 4Å; F103-M147 HydrophobicContact CG-CB 4.37Å; F103-M147 WeakPolarHBondContact CG-O 3.39Å; F103-M147 HydrophobicContact CZ-CB 3.25Å; F103-M147 HydrophobicContact CZ-CG 4.19Å; F103-M147 HydrophobicContact CZ-SD 3.97Å; F103-M147 PolarHBondContact N-O 3.06Å; F103-M147 PolarHBondContact O-N 2.76Å; I105-M147 HydrophobicContact CD1-CE 4.48Å; L126-M147 HydrophobicContact CD1-CB 4.43Å; L126-M147 HydrophobicContact CD1-SD 4.12Å; L126-M147 HydrophobicContact CD2-SD 4.19Å; L126-M147 HydrophobicContact CG-SD 4.49Å; S127-M147 CarbonylContact O-C 3.58Å; S127-M147 VanDerWaalsContact O-CA 3.25Å; S127-M147 WeakPolarHBondContact O-CA 3.07Å; P145-M147 HydrophobicContact CB-CE 4.17Å; P145-M147 HydrophobicContact CG-CE 3.92Å; M147-T206 HydrophobicContact CE-CG2 4.35Å; M147-T206 VanDerWaalsContact CE-OG1 3.29Å; M147-T206 WeakPolarHBondContact CE-OG1 3.44Å; M147-T206 HydrophobicContact SD-CG2 4.46Å
148	R	59.2	Low	48.2	Very low	86 Å²	86	62.7 Å²	62.7	33%	0.325	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.6	175.7	-164.8	-178	-66.2	170.2	-7.3	109.8	N99 S100 L126 S127	N99-R148 HydrophobicContact CB-CG 4.42Å; S100-R148 VanDerWaalsContact O-CD 3.23Å; S100-R148 WeakPolarHBondContact O-CD 3.14Å; S100-R148 WeakPolarHBondContact O-CG 3.49Å; L126-R148 CarbonylContact C-O 3.39Å; L126-R148 WeakPolarHBondContact CA-O 3.47Å; S127-R148 PolarHBondContact N-O 3.18Å; S127-R148 PolarHBondContact O-N 3.47Å; S127-R148 PolarHBondContact OG-O 2.76Å
149	F	64.8	Low	48.6	Very low	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	154.2	172.5	-55	-57.7	0	0	0	111.3	L57 N99 S100 F103 K115 V123 G125 L126	L57-F149 HydrophobicContact CB-CZ 3.72Å; L57-F149 HydrophobicContact CD1-CE1 3.59Å; L57-F149 HydrophobicContact CD1-CZ 3.54Å; L57-F149 HydrophobicContact CG-CE1 3.73Å; L57-F149 HydrophobicContact CG-CE2 4.48Å; L57-F149 HydrophobicContact CG-CZ 3.39Å; N99-F149 CarbonylContact C-O 3.5Å; N99-F149 WeakPolarHBondContact CA-O 3.49Å; S100-F149 PolarHBondContact N-O 3.49Å; S100-F149 PolarHBondContact OG-N 3.43Å; F103-F149 AromaticContact CD1-CD2 3.97Å; F103-F149 HydrophobicContact CD1-CD2 3.97Å; F103-F149 HydrophobicContact CD1-CE1 4.44Å; F103-F149 AromaticContact CD1-CE2 3.68Å; F103-F149 HydrophobicContact CD1-CE2 3.68Å; F103-F149 HydrophobicContact CD1-CG 4.45Å; F103-F149 AromaticContact CD1-CZ 3.91Å; F103-F149 HydrophobicContact CD1-CZ 3.91Å; F103-F149 AromaticContact CE1-CD1 3.66Å; F103-F149 HydrophobicContact CE1-CD1 3.66Å; F103-F149 AromaticContact CE1-CD2 3.66Å; F103-F149 HydrophobicContact CE1-CD2 3.66Å; F103-F149 AromaticContact CE1-CE1 3.32Å; F103-F149 HydrophobicContact CE1-CE1 3.32Å; F103-F149 AromaticContact CE1-CE2 3.32Å; F103-F149 HydrophobicContact CE1-CE2 3.32Å; F103-F149 AromaticContact CE1-CG 3.8Å; F103-F149 HydrophobicContact CE1-CG 3.8Å; F103-F149 AromaticContact CE1-CZ 3.11Å; F103-F149 HydrophobicContact CE1-CZ 3.11Å; F103-F149 HydrophobicContact CE2-CZ 4.11Å; F103-F149 HydrophobicContact CZ-CD1 4.16Å; F103-F149 AromaticContact CZ-CE1 3.39Å; F103-F149 HydrophobicContact CZ-CE1 3.39Å; F103-F149 AromaticContact CZ-CE2 3.88Å; F103-F149 HydrophobicContact CZ-CE2 3.88Å; F103-F149 AromaticContact CZ-CZ 3.2Å; F103-F149 HydrophobicContact CZ-CZ 3.2Å; K115-F149 HydrophobicContact CB-CD2 4.35Å; K115-F149 HydrophobicContact CB-CE2 3.83Å; K115-F149 WeakPolarHBondContact O-CE2 3.17Å; V123-F149 HydrophobicContact CG1-CB 4.1Å; V123-F149 HydrophobicContact CG1-CD1 3.65Å; V123-F149 HydrophobicContact CG1-CE1 4.49Å; V123-F149 HydrophobicContact CG1-CG 4.13Å; V123-F149 HydrophobicContact CG2-CB 4.27Å; V123-F149 HydrophobicContact CG2-CD1 4.03Å; V123-F149 HydrophobicContact CG2-CD2 4.5Å; V123-F149 HydrophobicContact CG2-CG 4.01Å; G125-F149 CarbonylContact O-C 3.47Å; G125-F149 WeakPolarHBondContact O-CA 3.12Å; L126-F149 HydrophobicContact CD1-CD1 3.71Å; L126-F149 HydrophobicContact CD1-CE1 3.61Å
150	T	65.8	Low	49.1	Very low	28 Å²	28	59.3 Å²	59.3	17%	0.172	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.5	154.9	-51.8	0	0	0	0	107.3	C97 N99 V123 H124 G125	C97-T150 HydrophobicContact CB-CG2 4.42Å; N99-T150 PolarHBondContact OD1-OG1 2.77Å; V123-T150 CarbonylContact C-O 3.58Å; H124-T150 PolarHBondContact N-O 2.82Å; G125-T150 PolarHBondContact N-O 2.99Å; G125-T150 PolarHBondContact O-N 3.13Å
151	C	71.1	Confident	49.4	Very low	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.7	174.8	-71.7	0	0	0	0	109.3	C97 Y98 C117 F122	C97-C151 CarbonylContact C-O 3.51Å; C97-C151 VanDerWaalsContact CA-O 3.24Å; C97-C151 WeakPolarHBondContact CA-O 3.47Å; Y98-C151 HydrophobicContact CD1-CB 4.28Å; Y98-C151 HydrophobicContact CE1-CB 3.82Å; Y98-C151 HydrophobicContact CE2-CB 4.05Å; Y98-C151 PolarHBondContact N-O 2.94Å; Y98-C151 PolarHBondContact O-N 3.32Å; Y98-C151 VanDerWaalsContact O-O 3.14Å; C117-C151 WeakPolarHBondContact CA-SG 3.32Å; C117-C151 HydrophobicContact CB-CB 3.59Å; C117-C151 WeakPolarHBondContact CB-SG 3.19Å; C117-C151 VanDerWaalsContact SG-CA 3.51Å; C117-C151 WeakPolarHBondContact SG-CB 3.39Å; C117-C151 CovalentContact SG-SG 2.04Å; C117-C151 PolarHBondContact SG-SG 3.49Å; F122-C151 WeakPolarHBondContact O-CA 3.43Å
152	C	66.7	Low	49.4	Very low	1 Å²	1	59.7 Å²	59.7	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.4	176.4	-68.6	0	0	0	0	110.8	C97 E121 F122 H124	C97-C152 HydrophobicContact CB-CB 4.15Å; C97-C152 WeakPolarHBondContact CB-SG 3.38Å; C97-C152 WeakPolarHBondContact SG-CB 2.95Å; C97-C152 CovalentContact SG-SG 2.04Å; C97-C152 PolarHBondContact SG-SG 2.62Å; E121-C152 WeakPolarHBondContact CA-O 3.31Å; E121-C152 WeakPolarHBondContact CB-O 2.98Å; F122-C152 WeakPolarHBondContact CD1-O 3.39Å; F122-C152 HydrophobicContact CE1-CB 4.01Å; F122-C152 WeakPolarHBondContact CE1-O 3.29Å; F122-C152 HydrophobicContact CZ-CB 3.87Å; F122-C152 PolarHBondContact N-O 2.83Å; F122-C152 PolarHBondContact O-N 3.15Å; H124-C152 HydrophobicContact CB-CB 3.93Å; H124-C152 WeakPolarHBondContact CB-SG 3.25Å; H124-C152 VanDerWaalsContact CD2-SG 3.56Å; H124-C152 VanDerWaalsContact CG-SG 3.56Å
153	K	66.5	Low	49.4	Very low	113 Å²	113	57.4 Å²	57.4	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.1	167.6	-167.3	168.6	-176.6	167.9	0	109.9	S96 E121	S96-K153 PolarHBondContact O-N 3Å; S96-K153 PolarHBondContact OG-O 2.75Å; E121-K153 HydrophobicContact CG-CB 3.93Å; E121-K153 HydrophobicContact CG-CG 4.25Å
154	A	54.8	Low	49.3	Very low	19 Å²	19	59.8 Å²	59.8	16%	0.157	30%	0.299	C	S	.	.			trans	-90.9	139.8	165	0	0	0	0	0	110	F92 F122 I157	F92-A154 HydrophobicContact CE1-CB 3.69Å; F92-A154 HydrophobicContact CZ-CB 3.98Å; F122-A154 HydrophobicContact CD1-CB 4.42Å; F122-A154 HydrophobicContact CE1-CB 3.93Å; A154-I157 HydrophobicContact CB-CD1 3.37Å; A154-I157 HydrophobicContact CB-CG1 3.56Å
155	R	48.8	Very low	49	Very low	185 Å²	185	59.6 Å²	59.6	70%	0.698	30%	0.302	S	S	*	.	S	Bend	trans	-84.1	-33.5	162	-65.9	-171.5	-177.1	-164.5	1.7	111.9
156	N	46.8	Very low	48.7	Very low	9 Å²	9	61.8 Å²	61.8	5%	0.048	32%	0.315	C	S	.	.			trans	-146.3	138	175	-70.4	-45.7	0	0	0	107.5	I85 Q88 S89 A90	I85-N156 WeakPolarHBondContact CB-OD1 3.42Å; I85-N156 WeakPolarHBondContact CD1-OD1 3.01Å; I85-N156 WeakPolarHBondContact CG1-OD1 3.49Å; Q88-N156 VanDerWaalsContact CB-ND2 3.32Å; Q88-N156 WeakPolarHBondContact CB-ND2 3.36Å; Q88-N156 PolarHBondContact OE1-ND2 2.9Å; S89-N156 PolarHBondContact O-ND2 3.28Å; A90-N156 WeakPolarHBondContact CA-O 3.3Å; A90-N156 WeakPolarHBondContact CB-O 3.05Å
157	I	44.5	Very low	48.1	Very low	9 Å²	9	62.8 Å²	62.8	5%	0.046	32%	0.321	C	S	.	.			trans	-132.4	136.2	160.7	-76.7	160.3	0	0	0	109.5	L82 F92 F122 A154 L159 F213	L82-I157 HydrophobicContact CB-CB 4.2Å; L82-I157 HydrophobicContact CB-CG2 4.39Å; L82-I157 HydrophobicContact CD1-CB 4.18Å; L82-I157 HydrophobicContact CD1-CD1 4.07Å; L82-I157 HydrophobicContact CD1-CG2 3.61Å; L82-I157 HydrophobicContact CD2-CD1 3.69Å; L82-I157 HydrophobicContact CG-CD1 4.3Å; F92-I157 HydrophobicContact CE1-CD1 4.49Å; F92-I157 HydrophobicContact CE2-CG1 4.24Å; F92-I157 HydrophobicContact CZ-CD1 3.85Å; F92-I157 HydrophobicContact CZ-CG1 3.59Å; F122-I157 HydrophobicContact CD1-CD1 3.8Å; F122-I157 HydrophobicContact CE1-CD1 3.62Å; F122-I157 HydrophobicContact CG-CD1 4.44Å; F122-I157 HydrophobicContact CZ-CD1 4.06Å; A154-I157 HydrophobicContact CB-CD1 3.37Å; A154-I157 HydrophobicContact CB-CG1 3.56Å; I157-L159 HydrophobicContact CG2-CD2 4.43Å; I157-L159 HydrophobicContact CG2-CG 4.02Å; I157-F213 HydrophobicContact CB-CE1 4.29Å; I157-F213 HydrophobicContact CD1-CE1 3.79Å; I157-F213 HydrophobicContact CD1-CE2 4.47Å; I157-F213 HydrophobicContact CD1-CZ 3.58Å; I157-F213 HydrophobicContact CG1-CD1 4.28Å; I157-F213 HydrophobicContact CG1-CE1 3.74Å; I157-F213 HydrophobicContact CG1-CZ 3.84Å; I157-F213 HydrophobicContact CG2-CD1 3.77Å; I157-F213 HydrophobicContact CG2-CE1 3.46Å; I157-F213 VanDerWaalsContact CG2-CE1 3.46Å; I157-F213 HydrophobicContact CG2-CZ 4.37Å
158	R	39.7	Very low	47.3	Very low	157 Å²	157	62.9 Å²	62.9	59%	0.592	32%	0.323	S	S	*	.			trans	-113.5	106.9	158.7	179.1	175.2	168.3	138.7	-3.9	108.3	D160 P214	R158-D160 HydrophobicContact CG-CB 4.3Å; R158-D160 IonicContact CZ-OD2 2.6Å; R158-D160 VanDerWaalsContact CZ-OD2 3.28Å; R158-D160 IonicContact NE-OD2 2.68Å; R158-D160 PolarHBondContact NE-OD2 3.17Å; R158-D160 IonicContact NH2-OD2 2.74Å; R158-D160 PolarHBondContact NH2-OD2 3.04Å; R158-D160 PolarHBondContact O-N 3.45Å; R158-P214 HydrophobicContact CB-CG 4.31Å; R158-P214 HydrophobicContact CG-CG 4.47Å; R158-P214 WeakPolarHBondContact O-CD 3.23Å; R158-P214 WeakPolarHBondContact O-CG 3.18Å
159	L	41.5	Very low	46.2	Very low	52 Å²	52	62.9 Å²	62.9	27%	0.272	33%	0.326	S	S	.	.			trans	-77.4	100.2	161.4	-72.8	178	0	0	0	106.7	Q52 L82 I157 A195 C211 F213	Q52-L159 WeakPolarHBondContact O-CD1 3.03Å; L82-L159 HydrophobicContact CD1-CD1 3.52Å; L82-L159 HydrophobicContact CD1-CG 3.76Å; I157-L159 HydrophobicContact CG2-CD2 4.43Å; I157-L159 HydrophobicContact CG2-CG 4.02Å; L159-A195 HydrophobicContact CD2-CB 4.34Å; L159-C211 HydrophobicContact CD2-CB 4.22Å; L159-F213 HydrophobicContact CD2-CD1 4.09Å; L159-F213 HydrophobicContact CD2-CE1 3.84Å
160	D	38.7	Very low	44.7	Very low	40 Å²	40	65.1 Å²	65.1	21%	0.214	34%	0.341	C	S	.	.			trans	-86.4	129.6	178.6	-160.8	-43.7	0	0	0	109.5	R158 D162 F163 P214	R158-D160 HydrophobicContact CG-CB 4.3Å; R158-D160 IonicContact CZ-OD2 2.6Å; R158-D160 VanDerWaalsContact CZ-OD2 3.28Å; R158-D160 IonicContact NE-OD2 2.68Å; R158-D160 PolarHBondContact NE-OD2 3.17Å; R158-D160 IonicContact NH2-OD2 2.74Å; R158-D160 PolarHBondContact NH2-OD2 3.04Å; R158-D160 PolarHBondContact O-N 3.45Å; D160-D162 PolarHBondContact O-N 3.32Å; D160-D162 VanDerWaalsContact O-N 3.17Å; D160-D162 PolarHBondContact OD1-N 3.35Å; D160-F163 HydrophobicContact CB-CD2 3.85Å; D160-F163 HydrophobicContact CB-CE2 4.19Å; D160-F163 PolarHBondContact O-N 2.93Å; D160-F163 VanDerWaalsContact O-N 3.15Å; D160-P214 HydrophobicContact CB-CG 4.31Å
161	A	32.9	Very low	43.3	Very low	86 Å²	86	69.1 Å²	69.1	71%	0.711	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.5	-174.2	0	0	0	0	0	113.1	F163	A161-F163 VanDerWaalsContact C-N 3.31Å
162	D	31.8	Very low	41.6	Very low	130 Å²	130	71.4 Å²	71.4	70%	0.695	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	177.7	-70	-22.4	0	0	0	113.3	D160	D160-D162 PolarHBondContact O-N 3.32Å; D160-D162 VanDerWaalsContact O-N 3.17Å; D160-D162 PolarHBondContact OD1-N 3.35Å
163	F	34.2	Very low	40	Very low	87 Å²	87	71.6 Å²	71.6	38%	0.382	37%	0.371	S	S	.	.	S	Bend	trans	-89.1	125.9	177.8	-79.5	-100.3	0	0	0	113.2	D160 A161 C165 P212 P214	D160-F163 HydrophobicContact CB-CD2 3.85Å; D160-F163 HydrophobicContact CB-CE2 4.19Å; D160-F163 PolarHBondContact O-N 2.93Å; D160-F163 VanDerWaalsContact O-N 3.15Å; A161-F163 VanDerWaalsContact C-N 3.31Å; F163-C165 PolarHBondContact O-N 3.02Å; F163-P212 HydrophobicContact CB-CG 4.25Å; F163-P212 HydrophobicContact CD1-CB 4.46Å; F163-P212 HydrophobicContact CD1-CG 3.83Å; F163-P212 HydrophobicContact CG-CG 4.47Å; F163-P214 HydrophobicContact CE2-CB 3.73Å; F163-P214 HydrophobicContact CE2-CG 4.34Å; F163-P214 HydrophobicContact CZ-CB 3.75Å
164	A	31.8	Very low	38.2	Very low	83 Å²	83	71.5 Å²	71.5	69%	0.686	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-70.8	120	175.1	0	0	0	0	0	111.2	P212	A164-P212 WeakPolarHBondContact O-CD 3.27Å
165	C	37.1	Very low	37.1	Very low	43 Å²	43	75.7 Å²	75.7	29%	0.291	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-84.1	124.9	175.9	-48.2	0	0	0	0	110.8	F163 K209 F210 C211	F163-C165 PolarHBondContact O-N 3.02Å; C165-K209 HydrophobicContact CB-CG 4.33Å; C165-F210 CarbonylContact C-O 3.11Å; C165-F210 WeakPolarHBondContact CA-O 3.37Å; C165-F210 WeakPolarHBondContact CB-O 3.48Å; C165-C211 HydrophobicContact CB-CB 3.96Å; C165-C211 WeakPolarHBondContact CB-SG 3.35Å; C165-C211 WeakPolarHBondContact SG-CB 3.4Å; C165-C211 CovalentContact SG-SG 2.03Å; C165-C211 PolarHBondContact SG-SG 2.91Å
166	V	40.2	Very low	36.3	Very low	69 Å²	69	70.6 Å²	70.6	42%	0.418	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.8	-176.7	-173.4	0	0	0	0	109.5	K209 F210 F225	V166-K209 WeakPolarHBondContact O-CA 3.28Å; V166-F210 PolarHBondContact N-O 3.36Å; V166-F210 PolarHBondContact O-N 2.86Å; V166-F225 HydrophobicContact CG2-CE1 4.37Å
167	K	37.9	Very low	35.6	Very low	104 Å²	104	77.9 Å²	77.9	45%	0.452	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.9	163.8	-70.2	-165.7	173.3	-159.3	0	108.1	V207 K209	K167-V207 HydrophobicContact CB-CG1 4.46Å; K167-K209 HydrophobicContact CG-CG 4.29Å
168	T	38.1	Very low	35.1	Very low	20 Å²	20	78.2 Å²	78.2	12%	0.123	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-68.1	139.8	169.9	58.3	0	0	0	0	109.3	F178 V207 A208 F210	T168-F178 HydrophobicContact CG2-CD1 3.64Å; T168-F178 HydrophobicContact CG2-CE1 3.98Å; T168-V207 WeakPolarHBondContact O-CG1 3.44Å; T168-A208 HydrophobicContact CG2-CB 4.27Å; T168-A208 WeakPolarHBondContact CG2-O 3.47Å; T168-A208 PolarHBondContact N-O 3.34Å; T168-A208 PolarHBondContact OG1-N 3.15Å; T168-A208 PolarHBondContact OG1-O 3.3Å; T168-A208 VanDerWaalsContact OG1-O 3.07Å; T168-F210 HydrophobicContact CG2-CD2 4.04Å; T168-F210 HydrophobicContact CG2-CE2 3.99Å
169	H	37.3	Very low	34.7	Very low	86 Å²	86	71.5 Å²	71.5	40%	0.398	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.4	146	172.6	-159.9	-116.7	0	0	0	109.4	Q171 D172	H169-Q171 PolarHBondContact CE1-OE1 3.42Å; H169-Q171 PolarHBondContact ND1-OE1 3.07Å; H169-Q171 PolarHBondContact O-N 3.01Å; H169-D172 WeakPolarHBondContact CA-OD2 3.45Å; H169-D172 HydrophobicContact CB-CB 4.3Å; H169-D172 WeakPolarHBondContact CB-OD1 3.4Å; H169-D172 WeakPolarHBondContact CB-OD2 3.38Å; H169-D172 PolarHBondContact N-OD2 3.13Å; H169-D172 PolarHBondContact O-N 3.27Å; H169-D172 VanDerWaalsContact O-N 3.09Å
170	P	33.5	Very low	34.1	Very low	46 Å²	46	70.2 Å²	70.2	30%	0.299	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20	176.3	-25.1	34.7	0	0	0	114.3	V173 M205 V207	P170-V173 VanDerWaalsContact O-CB 3.29Å; P170-V173 WeakPolarHBondContact O-CB 3.49Å; P170-V173 WeakPolarHBondContact O-CG2 3.17Å; P170-M205 HydrophobicContact CB-CE 4.4Å; P170-M205 HydrophobicContact CB-SD 3.86Å; P170-V207 HydrophobicContact CB-CG2 4.36Å; P170-V207 HydrophobicContact CG-CG2 3.95Å
171	Q	35	Very low	33.6	Very low	112 Å²	112	73 Å²	73	52%	0.523	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-27	176.3	-64.5	167.4	-27.1	0	0	113.2	H169 V173 E174	H169-Q171 PolarHBondContact CE1-OE1 3.42Å; H169-Q171 PolarHBondContact ND1-OE1 3.07Å; H169-Q171 PolarHBondContact O-N 3.01Å; Q171-V173 PolarHBondContact O-N 2.98Å; Q171-E174 WeakPolarHBondContact O-CB 3.33Å; Q171-E174 PolarHBondContact O-N 3.44Å
172	D	36.5	Very low	33.5	Very low	49 Å²	49	76.7 Å²	76.7	26%	0.262	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-60	-23.2	173.2	-56.6	-19.5	0	0	0	111.4	H169 E174 F229	H169-D172 WeakPolarHBondContact CA-OD2 3.45Å; H169-D172 HydrophobicContact CB-CB 4.3Å; H169-D172 WeakPolarHBondContact CB-OD1 3.4Å; H169-D172 WeakPolarHBondContact CB-OD2 3.38Å; H169-D172 PolarHBondContact N-OD2 3.13Å; H169-D172 PolarHBondContact O-N 3.27Å; H169-D172 VanDerWaalsContact O-N 3.09Å; D172-E174 PolarHBondContact O-N 3.2Å; D172-F229 WeakPolarHBondContact OD1-CE2 3.01Å
173	V	32.3	Very low	33.2	Very low	5 Å²	5	74.8 Å²	74.8	3%	0.03	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-50.9	-36.8	171.6	-179.8	0	0	0	0	111.7	R135 P170 Q171 T175 F178	R135-V173 PolarHBondContact NH1-O 3.27Å; P170-V173 VanDerWaalsContact O-CB 3.29Å; P170-V173 WeakPolarHBondContact O-CB 3.49Å; P170-V173 WeakPolarHBondContact O-CG2 3.17Å; Q171-V173 PolarHBondContact O-N 2.98Å; V173-T175 PolarHBondContact O-N 2.82Å; V173-F178 VanDerWaalsContact CA-CZ 3.41Å; V173-F178 HydrophobicContact CB-CE1 4.41Å; V173-F178 HydrophobicContact CB-CZ 3.77Å; V173-F178 HydrophobicContact CG1-CE2 4.4Å; V173-F178 HydrophobicContact CG1-CZ 3.82Å; V173-F178 HydrophobicContact CG2-CE1 4.03Å; V173-F178 HydrophobicContact CG2-CZ 3.71Å
174	E	27.7	Very low	33	Very low	111 Å²	111	76.3 Å²	76.3	52%	0.519	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-74	-17.2	-166.2	-63.4	-172.5	132.2	0	0	115.3	Y130 Q171 D172	Y130-E174 PolarHBondContact OH-O 2.81Å; Q171-E174 WeakPolarHBondContact O-CB 3.33Å; Q171-E174 PolarHBondContact O-N 3.44Å; D172-E174 PolarHBondContact O-N 3.2Å
175	T	33.4	Very low	32.9	Very low	106 Å²	106	83.8 Å²	83.8	65%	0.65	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	-9.6	-169.1	52.5	0	0	0	0	116.2	V173	V173-T175 PolarHBondContact O-N 2.82Å
176	Q	31.9	Very low	32.6	Very low	79 Å²	79	83.5 Å²	83.5	37%	0.369	41%	0.412	S	S	.	.			trans	-132.3	146.3	-165	-58.8	-170.1	14.3	0	0	115.7	F178	Q176-F178 PolarHBondContact O-N 3.06Å
177	K	32	Very low	32	Very low	162 Å²	162	89.1 Å²	89.1	70%	0.704	43%	0.434	S	S	*	.			trans	-66.5	112.3	164.8	-63.7	173.6	-178.1	174.1	0	107
178	F	33.3	Very low	31.5	Very low	16 Å²	16	95.2 Å²	95.2	7%	0.07	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-78.8	138.1	177.7	-48.6	-109.5	0	0	0	109.7	G125 L126 T168 V173 Q176 F210	G125-F178 CarbonylContact C-O 3.55Å; G125-F178 WeakPolarHBondContact CA-O 3.46Å; L126-F178 HydrophobicContact CB-CB 4.31Å; L126-F178 HydrophobicContact CB-CD2 4.39Å; L126-F178 PolarHBondContact N-O 3.04Å; L126-F178 WeakPolarHBondContact O-CA 3.42Å; L126-F178 WeakPolarHBondContact O-CB 3.3Å; L126-F178 WeakPolarHBondContact O-CD2 2.99Å; L126-F178 PolarHBondContact O-N 3.23Å; T168-F178 HydrophobicContact CG2-CD1 3.64Å; T168-F178 HydrophobicContact CG2-CE1 3.98Å; V173-F178 VanDerWaalsContact CA-CZ 3.41Å; V173-F178 HydrophobicContact CB-CE1 4.41Å; V173-F178 HydrophobicContact CB-CZ 3.77Å; V173-F178 HydrophobicContact CG1-CE2 4.4Å; V173-F178 HydrophobicContact CG1-CZ 3.82Å; V173-F178 HydrophobicContact CG2-CE1 4.03Å; V173-F178 HydrophobicContact CG2-CZ 3.71Å; Q176-F178 PolarHBondContact O-N 3.06Å; F178-F210 HydrophobicContact CB-CE2 3.97Å; F178-F210 HydrophobicContact CB-CZ 3.99Å
179	G	31.2	Very low	31.1	Very low	16 Å²	16	99.5 Å²	99.5	17%	0.165	48%	0.476	C	S	.	.	S	Bend	trans	106.9	115.5	179.3	0	0	0	0	0	112.3	H124	H124-G179 WeakPolarHBondContact O-CA 3.2Å
180	A	29.9	Very low	30.8	Very low	25 Å²	25	99.5 Å²	99.5	21%	0.207	48%	0.479	C	S	.	.	S	Bend	trans	57.1	142.8	-156.5	0	0	0	0	0	114.3	H124 R182	H124-A180 VanDerWaalsContact NE2-CB 3.33Å; H124-A180 WeakPolarHBondContact NE2-CB 3.27Å; A180-R182 PolarHBondContact O-N 3.07Å
181	F	28.3	Very low	30.7	Very low	98 Å²	98	99.2 Å²	99.2	43%	0.43	48%	0.478	S	S	.	.			trans	-70.1	77.9	163.9	-63.3	-96.3	0	0	0	108.6	N183 C191 F225	F181-N183 VanDerWaalsContact C-N 3.26Å; F181-N183 PolarHBondContact O-N 3.04Å; F181-N183 VanDerWaalsContact O-N 3.1Å; F181-C191 HydrophobicContact CB-CB 3.8Å; F181-C191 PolarHBondContact O-SG 2.85Å; F181-C191 VanDerWaalsContact O-SG 3.4Å; F181-F225 AromaticContact CE1-CE1 3.72Å; F181-F225 HydrophobicContact CE1-CE1 3.72Å; F181-F225 HydrophobicContact CE1-CE2 4.44Å; F181-F225 AromaticContact CE1-CZ 3.69Å; F181-F225 HydrophobicContact CE1-CZ 3.69Å; F181-F225 HydrophobicContact CE2-CE1 4.27Å; F181-F225 HydrophobicContact CE2-CE2 4.44Å; F181-F225 AromaticContact CE2-CZ 3.62Å; F181-F225 HydrophobicContact CE2-CZ 3.62Å; F181-F225 AromaticContact CZ-CE1 3.36Å; F181-F225 HydrophobicContact CZ-CE1 3.36Å; F181-F225 HydrophobicContact CZ-CE2 4.15Å; F181-F225 AromaticContact CZ-CZ 3.14Å; F181-F225 HydrophobicContact CZ-CZ 3.14Å
182	R	29.2	Very low	30.9	Very low	164 Å²	164	95.8 Å²	95.8	62%	0.619	47%	0.465	S	S	*	.			trans	-79.9	81	166	-81.7	-167.1	170.3	-150.6	-1.7	108.7	D94 A180 P184	D94-R182 IonicContact OD2-NH2 3.47Å; A180-R182 PolarHBondContact O-N 3.07Å; R182-P184 VanDerWaalsContact O-CD 3.22Å; R182-P184 WeakPolarHBondContact O-CD 3.37Å
183	N	26.8	Very low	31.5	Very low	90 Å²	90	95.1 Å²	95.1	48%	0.481	46%	0.46	S	S	.	.			trans	-59.1	117.6	153.6	168.8	-1.9	0	0	0	106.7	F181 R185 S186	F181-N183 VanDerWaalsContact C-N 3.26Å; F181-N183 PolarHBondContact O-N 3.04Å; F181-N183 VanDerWaalsContact O-N 3.1Å; N183-R185 PolarHBondContact O-N 3.37Å; N183-R185 WeakPolarHBondContact OD1-CB 3.49Å; N183-R185 PolarHBondContact OD1-N 2.95Å; N183-S186 WeakPolarHBondContact CB-OG 3.24Å; N183-S186 PolarHBondContact O-N 2.96Å; N183-S186 PolarHBondContact O-OG 3.04Å; N183-S186 VanDerWaalsContact O-OG 3.13Å
184	P	29.9	Very low	32.2	Very low	118 Å²	118	95.3 Å²	95.3	77%	0.766	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.7	-175.2	-22.7	34.8	0	0	0	113.9	R182	R182-P184 VanDerWaalsContact O-CD 3.22Å; R182-P184 WeakPolarHBondContact O-CD 3.37Å
185	R	30.2	Very low	33.2	Very low	241 Å²	241	90 Å²	90	91%	0.909	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	1.5	175.1	-62.5	-178.4	174.4	177.6	-2.1	113.4	N183	N183-R185 PolarHBondContact O-N 3.37Å; N183-R185 WeakPolarHBondContact OD1-CB 3.49Å; N183-R185 PolarHBondContact OD1-N 2.95Å
186	S	29.9	Very low	34.2	Very low	36 Å²	36	85 Å²	85	25%	0.252	41%	0.405	S	S	.	.			trans	-115.5	50.8	-178	78.1	0	0	0	0	113.7	N183 R188	N183-S186 WeakPolarHBondContact CB-OG 3.24Å; N183-S186 PolarHBondContact O-N 2.96Å; N183-S186 PolarHBondContact O-OG 3.04Å; N183-S186 VanDerWaalsContact O-OG 3.13Å; S186-R188 PolarHBondContact O-N 2.67Å
187	E	28.2	Very low	35.1	Very low	188 Å²	188	81.8 Å²	81.8	88%	0.879	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	13.5	171.3	-63.2	-169.1	137.6	0	0	114.4
188	R	27.7	Very low	35.7	Very low	231 Å²	231	74.1 Å²	74.1	87%	0.872	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-10.1	-173.7	-70	-167.7	176.3	-165	-1.5	117.3	S186	S186-R188 PolarHBondContact O-N 2.67Å
189	N	28	Very low	36.4	Very low	110 Å²	110	73.4 Å²	73.4	59%	0.588	36%	0.355	S	S	*	.	S	Bend	trans	-146.2	111.4	-170.4	-77.4	-54	0	0	0	115.7	C191	N189-C191 PolarHBondContact O-N 3.42Å
190	N	31.3	Very low	37.2	Very low	86 Å²	86	74.3 Å²	74.3	46%	0.46	36%	0.355	S	S	.	.				62.5	21.5	122.5	-66.7	-16.3	0	0	0	121.7	Y220	N190-Y220 HydrophobicContact CB-CE1 3.88Å; N190-Y220 WeakPolarHBondContact CB-OH 3.43Å; N190-Y220 PolarHBondContact ND2-OH 3.43Å; N190-Y220 VanDerWaalsContact ND2-OH 3.12Å
191	C	32.1	Very low	37.8	Very low	41 Å²	41	74.6 Å²	74.6	28%	0.277	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-71.3	139	165.5	-72.5	0	0	0	0	112.4	F181 N189 K193	F181-C191 HydrophobicContact CB-CB 3.8Å; F181-C191 PolarHBondContact O-SG 2.85Å; F181-C191 VanDerWaalsContact O-SG 3.4Å; N189-C191 PolarHBondContact O-N 3.42Å; C191-K193 PolarHBondContact O-N 3.43Å
192	P	38.1	Very low	38.4	Very low	39 Å²	39	74.3 Å²	74.3	25%	0.253	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65.8	122.5	177.4	26.4	-33.3	0	0	0	110.7
193	K	49.6	Very low	38.9	Very low	36 Å²	36	71.2 Å²	71.2	16%	0.157	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-70.1	149.7	175.4	-65.3	177.3	176.6	-167.6	0	109.9	F92 D94 C191 F213	F92-K193 HydrophobicContact CB-CD 3.49Å; F92-K193 VanDerWaalsContact CB-CD 3.49Å; F92-K193 VanDerWaalsContact CB-NZ 3.32Å; F92-K193 HydrophobicContact CD2-CB 4.41Å; F92-K193 HydrophobicContact CD2-CD 3.94Å; F92-K193 HydrophobicContact CG-CD 3.88Å; F92-K193 PolarHBondContact O-NZ 2.94Å; D94-K193 VanDerWaalsContact OD1-CE 3.29Å; D94-K193 WeakPolarHBondContact OD1-CE 3.13Å; D94-K193 IonicContact OD1-NZ 3.58Å; D94-K193 PolarHBondContact OD1-NZ 3.19Å; C191-K193 PolarHBondContact O-N 3.43Å; K193-F213 VanDerWaalsContact C-CD2 3.47Å; K193-F213 HydrophobicContact CB-CD2 3.97Å; K193-F213 HydrophobicContact CB-CE2 4.49Å; K193-F213 WeakPolarHBondContact O-CD2 3.41Å; K193-F213 PolarHBondContact O-N 3.05Å
194	S	48.4	Very low	39.3	Very low	8 Å²	8	69.9 Å²	69.9	6%	0.056	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.9	-174.4	57.9	0	0	0	0	113.4	H124 C211	H124-S194 PolarHBondContact CE1-O 2.9Å; H124-S194 PolarHBondContact ND1-O 2.69Å; S194-C211 CarbonylContact C-O 3.48Å; S194-C211 WeakPolarHBondContact CA-O 3.31Å; S194-C211 VanDerWaalsContact CB-O 3.25Å; S194-C211 WeakPolarHBondContact CB-O 3.5Å
195	A	48.4	Very low	39.6	Very low	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.6	167.6	0	0	0	0	0	111.1	A53 F122 L159 V197 F210 C211 F213	A53-A195 HydrophobicContact CB-CB 4.18Å; F122-A195 HydrophobicContact CD2-CB 4Å; F122-A195 HydrophobicContact CE2-CB 4.19Å; L159-A195 HydrophobicContact CD2-CB 4.34Å; A195-V197 HydrophobicContact CB-CG1 4.27Å; A195-V197 PolarHBondContact O-N 3.33Å; A195-F210 CarbonylContact O-C 3.59Å; A195-F210 WeakPolarHBondContact O-CA 3.29Å; A195-C211 PolarHBondContact N-O 2.91Å; A195-C211 PolarHBondContact O-N 2.92Å; A195-F213 HydrophobicContact CB-CE1 3.66Å; A195-F213 HydrophobicContact CB-CZ 3.51Å
196	L	54	Low	40.2	Very low	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	119	158	-173.2	70.2	0	0	0	108.1	V54 V123 G198 V199 A208 F210	V54-L196 HydrophobicContact CB-CB 4.34Å; V54-L196 HydrophobicContact CB-CD2 4.05Å; V54-L196 HydrophobicContact CB-CG 4.19Å; V54-L196 HydrophobicContact CG1-CD2 4Å; V54-L196 HydrophobicContact CG2-CD2 4.26Å; V54-L196 HydrophobicContact CG2-CG 4.09Å; V54-L196 WeakPolarHBondContact CG2-O 3.37Å; V54-L196 PolarHBondContact N-O 2.85Å; V54-L196 VanDerWaalsContact N-O 3.14Å; V123-L196 HydrophobicContact CB-CB 4.1Å; V123-L196 HydrophobicContact CB-CD2 3.93Å; V123-L196 HydrophobicContact CG1-CB 4.03Å; V123-L196 HydrophobicContact CG1-CD2 3.47Å; V123-L196 VanDerWaalsContact CG1-CD2 3.47Å; V123-L196 HydrophobicContact CG1-CG 4.39Å; V123-L196 WeakPolarHBondContact O-CB 3.43Å; V123-L196 PolarHBondContact O-N 3.05Å; L196-G198 VanDerWaalsContact CD1-O 3.31Å; L196-G198 WeakPolarHBondContact CD1-O 3.18Å; L196-V199 HydrophobicContact CD1-CG2 4.23Å; L196-V199 HydrophobicContact CD2-CG2 3.86Å; L196-V199 HydrophobicContact CG-CG2 4.37Å; L196-A208 HydrophobicContact CD1-CB 3.66Å; L196-F210 HydrophobicContact CB-CD1 4.16Å; L196-F210 HydrophobicContact CB-CE1 3.84Å; L196-F210 HydrophobicContact CD1-CD1 4.22Å; L196-F210 HydrophobicContact CD1-CE1 3.79Å; L196-F210 HydrophobicContact CD1-CE2 4.36Å; L196-F210 HydrophobicContact CD1-CZ 3.88Å; L196-F210 HydrophobicContact CG-CE1 4.43Å
197	V	49.8	Very low	41	Very low	13 Å²	13	55.4 Å²	55.4	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-9.7	178	-64.7	0	0	0	0	113.2	L47 C48 A195 K209 C211	L47-V197 WeakPolarHBondContact CA-O 2.93Å; C48-V197 PolarHBondContact N-O 2.04Å; A195-V197 HydrophobicContact CB-CG1 4.27Å; A195-V197 PolarHBondContact O-N 3.33Å; V197-K209 HydrophobicContact CG2-CB 4.37Å; V197-K209 HydrophobicContact CG2-CD 4.2Å; V197-K209 HydrophobicContact CG2-CG 4Å; V197-K209 WeakPolarHBondContact CG2-O 3.03Å; V197-K209 PolarHBondContact N-O 2.67Å; V197-C211 HydrophobicContact CG1-CB 3.94Å; V197-C211 WeakPolarHBondContact CG1-SG 3.17Å; V197-C211 WeakPolarHBondContact CG2-SG 3.19Å
198	G	46	Very low	41.8	Very low	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	158	-178.4	0	0	0	0	0	112.8	F46 L196 K209	F46-G198 WeakPolarHBondContact O-CA 3.18Å; L196-G198 VanDerWaalsContact CD1-O 3.31Å; L196-G198 WeakPolarHBondContact CD1-O 3.18Å; G198-K209 PolarHBondContact N-O 2.93Å; G198-K209 PolarHBondContact O-N 2.64Å
199	V	47.5	Very low	42.8	Very low	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.6	174.8	177.7	0	0	0	0	107.3	Q45 F46 L57 L196 I201 T206	Q45-V199 WeakPolarHBondContact CA-O 3.36Å; F46-V199 HydrophobicContact CD2-CB 4.23Å; F46-V199 WeakPolarHBondContact CD2-O 3.49Å; F46-V199 PolarHBondContact N-O 2.95Å; L57-V199 HydrophobicContact CD2-CG2 4.36Å; L196-V199 HydrophobicContact CD1-CG2 4.23Å; L196-V199 HydrophobicContact CD2-CG2 3.86Å; L196-V199 HydrophobicContact CG-CG2 4.37Å; V199-I201 HydrophobicContact CG1-CG1 4.23Å; V199-T206 HydrophobicContact CG1-CG2 3.43Å; V199-T206 VanDerWaalsContact CG1-CG2 3.43Å
200	Q	47.3	Very low	43.8	Very low	36 Å²	36	33.2 Å²	33.2	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124	172.8	168.5	177.4	-6.5	0	0	108.4	F44 Q45 V207	F44-Q200 WeakPolarHBondContact O-CA 3.38Å; F44-Q200 WeakPolarHBondContact O-CG 3.29Å; Q45-Q200 HydrophobicContact CB-CB 4.41Å; Q45-Q200 HydrophobicContact CG-CB 4.38Å; Q200-V207 HydrophobicContact CB-CB 4.13Å; Q200-V207 HydrophobicContact CB-CG1 4.37Å; Q200-V207 HydrophobicContact CG-CB 4.49Å; Q200-V207 PolarHBondContact N-O 3.14Å; Q200-V207 PolarHBondContact O-N 2.88Å
201	I	43.3	Very low	44.4	Very low	30 Å²	30	29.8 Å²	29.8	15%	0.154	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132	173.2	-64.4	178	0	0	0	107.8	P43 F44 V75 V199 M205 T206	P43-I201 WeakPolarHBondContact CA-O 3.1Å; F44-I201 HydrophobicContact CD2-CB 4.48Å; F44-I201 HydrophobicContact CE1-CB 3.94Å; F44-I201 HydrophobicContact CE1-CG2 4.22Å; F44-I201 HydrophobicContact CE2-CB 3.81Å; F44-I201 HydrophobicContact CE2-CD1 3.81Å; F44-I201 HydrophobicContact CE2-CG1 3.99Å; F44-I201 HydrophobicContact CZ-CB 3.52Å; F44-I201 HydrophobicContact CZ-CD1 3.76Å; F44-I201 HydrophobicContact CZ-CG1 4.03Å; F44-I201 HydrophobicContact CZ-CG2 3.99Å; F44-I201 PolarHBondContact O-N 3.3Å; V75-I201 HydrophobicContact CG2-CD1 3.94Å; V199-I201 HydrophobicContact CG1-CG1 4.23Å; I201-M205 WeakPolarHBondContact CA-O 3.48Å; I201-T206 HydrophobicContact CG1-CG2 4.31Å
202	K	41.7	Very low	45.1	Very low	92 Å²	92	29.2 Å²	29.2	40%	0.4	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	126.7	179.7	179.8	178	-174.9	-73.8	0	108.7	P43 G204 M205	P43-K202 HydrophobicContact CB-CB 4.26Å; P43-K202 HydrophobicContact CB-CD 4.41Å; P43-K202 HydrophobicContact CB-CG 4.28Å; K202-G204 PolarHBondContact O-N 3.03Å; K202-M205 PolarHBondContact N-O 3.05Å; K202-M205 WeakPolarHBondContact O-CA 3.33Å; K202-M205 WeakPolarHBondContact O-CB 3.18Å; K202-M205 PolarHBondContact O-N 2.89Å
203	D	39.2	Very low	45.4	Very low	99 Å²	99	27.5 Å²	27.5	53%	0.529	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	42	174.7	-41.2	-27.4	0	0	0	113	M205	D203-M205 HydrophobicContact CB-CE 4.4Å; D203-M205 PolarHBondContact O-N 2.94Å; D203-M205 VanDerWaalsContact O-N 3.14Å
204	G	35.1	Very low	44.8	Very low	62 Å²	62	27 Å²	27	64%	0.639	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	-12.2	-175.1	0	0	0	0	0	115.7	K202	K202-G204 PolarHBondContact O-N 3.03Å
205	M	36.4	Very low	44.1	Very low	66 Å²	66	29.7 Å²	29.7	33%	0.325	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.9	176	-65	179.2	-83	0	0	111.9	P170 I201 K202 D203	P170-M205 HydrophobicContact CB-CE 4.4Å; P170-M205 HydrophobicContact CB-SD 3.86Å; I201-M205 WeakPolarHBondContact CA-O 3.48Å; K202-M205 PolarHBondContact N-O 3.05Å; K202-M205 WeakPolarHBondContact O-CA 3.33Å; K202-M205 WeakPolarHBondContact O-CB 3.18Å; K202-M205 PolarHBondContact O-N 2.89Å; D203-M205 HydrophobicContact CB-CE 4.4Å; D203-M205 PolarHBondContact O-N 2.94Å; D203-M205 VanDerWaalsContact O-N 3.14Å
206	T	42.3	Very low	43.3	Very low	16 Å²	16	36.5 Å²	36.5	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.2	178.1	-58.3	0	0	0	0	110.3	L126 M147 V199 I201	L126-T206 HydrophobicContact CD2-CG2 3.86Å; M147-T206 HydrophobicContact CE-CG2 4.35Å; M147-T206 VanDerWaalsContact CE-OG1 3.29Å; M147-T206 WeakPolarHBondContact CE-OG1 3.44Å; M147-T206 HydrophobicContact SD-CG2 4.46Å; V199-T206 HydrophobicContact CG1-CG2 3.43Å; V199-T206 VanDerWaalsContact CG1-CG2 3.43Å; I201-T206 HydrophobicContact CG1-CG2 4.31Å
207	V	45.5	Very low	42.1	Very low	10 Å²	10	43.3 Å²	43.3	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	114.8	176.1	166.6	0	0	0	0	109.2	K167 T168 P170 Q200	K167-V207 HydrophobicContact CB-CG1 4.46Å; T168-V207 WeakPolarHBondContact O-CG1 3.44Å; P170-V207 HydrophobicContact CB-CG2 4.36Å; P170-V207 HydrophobicContact CG-CG2 3.95Å; Q200-V207 HydrophobicContact CB-CB 4.13Å; Q200-V207 HydrophobicContact CB-CG1 4.37Å; Q200-V207 HydrophobicContact CG-CB 4.49Å; Q200-V207 PolarHBondContact N-O 3.14Å; Q200-V207 PolarHBondContact O-N 2.88Å
208	A	46.8	Very low	41	Very low	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.2	174.6	0	0	0	0	0	110.9	T168 L196 F210	T168-A208 HydrophobicContact CG2-CB 4.27Å; T168-A208 WeakPolarHBondContact CG2-O 3.47Å; T168-A208 PolarHBondContact N-O 3.34Å; T168-A208 PolarHBondContact OG1-N 3.15Å; T168-A208 PolarHBondContact OG1-O 3.3Å; T168-A208 VanDerWaalsContact OG1-O 3.07Å; L196-A208 HydrophobicContact CD1-CB 3.66Å; A208-F210 HydrophobicContact CB-CD2 4.11Å; A208-F210 HydrophobicContact CB-CE2 3.37Å; A208-F210 HydrophobicContact CB-CZ 3.82Å
209	K	47.1	Very low	39.9	Very low	45 Å²	45	57 Å²	57	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.2	173.9	-173	-176.9	175	-173.2	0	109.7	L47 C165 V166 K167 V197 G198	L47-K209 HydrophobicContact CD2-CD 4.21Å; C165-K209 HydrophobicContact CB-CG 4.33Å; V166-K209 WeakPolarHBondContact O-CA 3.28Å; K167-K209 HydrophobicContact CG-CG 4.29Å; V197-K209 HydrophobicContact CG2-CB 4.37Å; V197-K209 HydrophobicContact CG2-CD 4.2Å; V197-K209 HydrophobicContact CG2-CG 4Å; V197-K209 WeakPolarHBondContact CG2-O 3.03Å; V197-K209 PolarHBondContact N-O 2.67Å; G198-K209 PolarHBondContact N-O 2.93Å; G198-K209 PolarHBondContact O-N 2.64Å
210	F	50	Low	38.8	Very low	18 Å²	18	61 Å²	61	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.9	-176.4	-67.4	-80.3	0	0	0	111.5	H124 C165 V166 T168 F178 A195 L196 A208	H124-F210 VanDerWaalsContact O-CE1 3.22Å; H124-F210 WeakPolarHBondContact O-CE1 3.33Å; C165-F210 CarbonylContact C-O 3.11Å; C165-F210 WeakPolarHBondContact CA-O 3.37Å; C165-F210 WeakPolarHBondContact CB-O 3.48Å; V166-F210 PolarHBondContact N-O 3.36Å; V166-F210 PolarHBondContact O-N 2.86Å; T168-F210 HydrophobicContact CG2-CD2 4.04Å; T168-F210 HydrophobicContact CG2-CE2 3.99Å; F178-F210 HydrophobicContact CB-CE2 3.97Å; F178-F210 HydrophobicContact CB-CZ 3.99Å; A195-F210 CarbonylContact O-C 3.59Å; A195-F210 WeakPolarHBondContact O-CA 3.29Å; L196-F210 HydrophobicContact CB-CD1 4.16Å; L196-F210 HydrophobicContact CB-CE1 3.84Å; L196-F210 HydrophobicContact CD1-CD1 4.22Å; L196-F210 HydrophobicContact CD1-CE1 3.79Å; L196-F210 HydrophobicContact CD1-CE2 4.36Å; L196-F210 HydrophobicContact CD1-CZ 3.88Å; L196-F210 HydrophobicContact CG-CE1 4.43Å; A208-F210 HydrophobicContact CB-CD2 4.11Å; A208-F210 HydrophobicContact CB-CE2 3.37Å; A208-F210 HydrophobicContact CB-CZ 3.82Å
211	C	44.5	Very low	37.6	Very low	14 Å²	14	63.3 Å²	63.3	10%	0.095	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.5	167.4	-56.9	0	0	0	0	109.5	L159 C165 S194 A195 V197	L159-C211 HydrophobicContact CD2-CB 4.22Å; C165-C211 HydrophobicContact CB-CB 3.96Å; C165-C211 WeakPolarHBondContact CB-SG 3.35Å; C165-C211 WeakPolarHBondContact SG-CB 3.4Å; C165-C211 CovalentContact SG-SG 2.03Å; C165-C211 PolarHBondContact SG-SG 2.91Å; S194-C211 CarbonylContact C-O 3.48Å; S194-C211 WeakPolarHBondContact CA-O 3.31Å; S194-C211 VanDerWaalsContact CB-O 3.25Å; S194-C211 WeakPolarHBondContact CB-O 3.5Å; A195-C211 PolarHBondContact N-O 2.91Å; A195-C211 PolarHBondContact O-N 2.92Å; V197-C211 HydrophobicContact CG1-CB 3.94Å; V197-C211 WeakPolarHBondContact CG1-SG 3.17Å; V197-C211 WeakPolarHBondContact CG2-SG 3.19Å
212	P	46.6	Very low	36.7	Very low	29 Å²	29	69.1 Å²	69.1	19%	0.188	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	147.8	173.4	29.6	-35.3	0	0	0	111.3	F163 A164	F163-P212 HydrophobicContact CB-CG 4.25Å; F163-P212 HydrophobicContact CD1-CB 4.46Å; F163-P212 HydrophobicContact CD1-CG 3.83Å; F163-P212 HydrophobicContact CG-CG 4.47Å; A164-P212 WeakPolarHBondContact O-CD 3.27Å
213	F	43.4	Very low	35.8	Very low	3 Å²	3	68.3 Å²	68.3	1%	0.013	38%	0.379	C	S	.	.			trans	-89.3	142	173.9	-58.3	-56.9	0	0	0	111.4	F92 F122 I157 L159 K193 A195 L215	F92-F213 HydrophobicContact CD2-CD2 4.28Å; F92-F213 HydrophobicContact CE1-CE2 4.34Å; F92-F213 AromaticContact CE2-CD2 3.32Å; F92-F213 HydrophobicContact CE2-CD2 3.32Å; F92-F213 AromaticContact CE2-CE2 3.42Å; F92-F213 HydrophobicContact CE2-CE2 3.42Å; F92-F213 VanDerWaalsContact CE2-CE2 3.42Å; F92-F213 HydrophobicContact CE2-CG 4.05Å; F92-F213 HydrophobicContact CE2-CZ 4.22Å; F92-F213 AromaticContact CZ-CD2 3.75Å; F92-F213 HydrophobicContact CZ-CD2 3.75Å; F92-F213 AromaticContact CZ-CE2 3.3Å; F92-F213 HydrophobicContact CZ-CE2 3.3Å; F92-F213 AromaticContact CZ-CZ 3.8Å; F92-F213 HydrophobicContact CZ-CZ 3.8Å; F122-F213 HydrophobicContact CD2-CZ 4.46Å; F122-F213 AromaticContact CE2-CE2 3.99Å; F122-F213 HydrophobicContact CE2-CE2 3.99Å; F122-F213 AromaticContact CE2-CZ 3.71Å; F122-F213 HydrophobicContact CE2-CZ 3.71Å; F122-F213 AromaticContact CZ-CE2 3.91Å; F122-F213 HydrophobicContact CZ-CE2 3.91Å; F122-F213 AromaticContact CZ-CZ 3.81Å; F122-F213 HydrophobicContact CZ-CZ 3.81Å; I157-F213 HydrophobicContact CB-CE1 4.29Å; I157-F213 HydrophobicContact CD1-CE1 3.79Å; I157-F213 HydrophobicContact CD1-CE2 4.47Å; I157-F213 HydrophobicContact CD1-CZ 3.58Å; I157-F213 HydrophobicContact CG1-CD1 4.28Å; I157-F213 HydrophobicContact CG1-CE1 3.74Å; I157-F213 HydrophobicContact CG1-CZ 3.84Å; I157-F213 HydrophobicContact CG2-CD1 3.77Å; I157-F213 HydrophobicContact CG2-CE1 3.46Å; I157-F213 VanDerWaalsContact CG2-CE1 3.46Å; I157-F213 HydrophobicContact CG2-CZ 4.37Å; L159-F213 HydrophobicContact CD2-CD1 4.09Å; L159-F213 HydrophobicContact CD2-CE1 3.84Å; K193-F213 VanDerWaalsContact C-CD2 3.47Å; K193-F213 HydrophobicContact CB-CD2 3.97Å; K193-F213 HydrophobicContact CB-CE2 4.49Å; K193-F213 WeakPolarHBondContact O-CD2 3.41Å; K193-F213 PolarHBondContact O-N 3.05Å; A195-F213 HydrophobicContact CB-CE1 3.66Å; A195-F213 HydrophobicContact CB-CZ 3.51Å; F213-L215 PolarHBondContact O-N 2.03Å; F213-L215 VanDerWaalsContact O-N 3.14Å
214	P	37.9	Very low	35.1	Very low	24 Å²	24	70.2 Å²	70.2	16%	0.156	39%	0.385	C	S	.	.			trans	-67.5	107.7	169.3	26.6	-32	0	0	0	111	R158 D160 F163 K216	R158-P214 HydrophobicContact CB-CG 4.31Å; R158-P214 HydrophobicContact CG-CG 4.47Å; R158-P214 WeakPolarHBondContact O-CD 3.23Å; R158-P214 WeakPolarHBondContact O-CG 3.18Å; D160-P214 HydrophobicContact CB-CG 4.31Å; F163-P214 HydrophobicContact CE2-CB 3.73Å; F163-P214 HydrophobicContact CE2-CG 4.34Å; F163-P214 HydrophobicContact CZ-CB 3.75Å; P214-K216 PolarHBondContact O-N 3.26Å
215	L	32.8	Very low	34.6	Very low	66 Å²	66	72.4 Å²	72.4	35%	0.346	38%	0.377	S	S	.	.			trans	-80.2	111.1	163.2	-67.2	174.8	0	0	0	108.7	F213	F213-L215 PolarHBondContact O-N 2.03Å; F213-L215 VanDerWaalsContact O-N 3.14Å
216	K	33.1	Very low	34	Very low	142 Å²	142	77.4 Å²	77.4	62%	0.617	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	143.3	170.4	-116.8	-177.4	179.1	-176.8	0	109.3	P214	P214-K216 PolarHBondContact O-N 3.26Å
217	N	26.9	Very low	33	Very low	144 Å²	144	84.6 Å²	84.6	77%	0.77	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	18.8	168.6	-52.9	-3.6	0	0	0	118.9
218	H	26.9	Very low	32	Very low	122 Å²	122	91.1 Å²	91.1	57%	0.565	45%	0.448	S	S	*	.			trans	-136	125.8	162.5	-74.8	-56.1	0	0	0	112.1	Y220	H218-Y220 HydrophobicContact CB-CD2 3.73Å; H218-Y220 HydrophobicContact CB-CE1 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.26Å; H218-Y220 HydrophobicContact CB-CG 4.46Å; H218-Y220 PolarHBondContact CD2-OH 3.48Å; H218-Y220 AromaticContact CG-CE2 3.97Å; H218-Y220 AromaticContact CG-CZ 3.93Å; H218-Y220 PolarHBondContact O-N 3.04Å
219	D	23.9	Very low	30.9	Very low	178 Å²	178	98 Å²	98	95%	0.952	48%	0.478	S	S	*	.			trans	-68.4	74.7	164.3	-73.1	-44.4	0	0	0	109.5	A221	D219-A221 PolarHBondContact O-N 3.11Å; D219-A221 VanDerWaalsContact O-N 3.07Å
220	Y	24.8	Very low	29.8	Very low	85 Å²	85	101.1 Å²	101.1	33%	0.333	51%	0.505	S	S	.	.			trans	-70.7	103.1	163.4	-69.2	-64.4	0	0	0	108.1	N190 H218 L222	N190-Y220 HydrophobicContact CB-CE1 3.88Å; N190-Y220 WeakPolarHBondContact CB-OH 3.43Å; N190-Y220 PolarHBondContact ND2-OH 3.43Å; N190-Y220 VanDerWaalsContact ND2-OH 3.12Å; H218-Y220 HydrophobicContact CB-CD2 3.73Å; H218-Y220 HydrophobicContact CB-CE1 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.26Å; H218-Y220 HydrophobicContact CB-CG 4.46Å; H218-Y220 PolarHBondContact CD2-OH 3.48Å; H218-Y220 AromaticContact CG-CE2 3.97Å; H218-Y220 AromaticContact CG-CZ 3.93Å; H218-Y220 PolarHBondContact O-N 3.04Å; Y220-L222 PolarHBondContact O-N 2.82Å
221	A	22.2	Very low	28.6	Very low	84 Å²	84	106.6 Å²	106.6	69%	0.694	54%	0.535	S	S	*	.			trans	-44.4	133.9	139.3	0	0	0	0	0	107.2	D219 C223	D219-A221 PolarHBondContact O-N 3.11Å; D219-A221 VanDerWaalsContact O-N 3.07Å; A221-C223 PolarHBondContact O-N 2.84Å
222	L	24.2	Very low	27.5	Very low	152 Å²	152	111.6 Å²	111.6	80%	0.796	57%	0.569	S	S	*	*			trans	-44.5	107.2	175	-79.3	140.9	0	0	0	108.6	Y220 E224	Y220-L222 PolarHBondContact O-N 2.82Å; L222-E224 PolarHBondContact O-N 2.94Å
223	C	21.7	Very low	26.4	Very low	75 Å²	75	117.8 Å²	117.8	51%	0.507	60%	0.595	S	S	.	*			trans	-63.7	92.3	171.5	-81.5	0	0	0	0	107.1	A221 F225	A221-C223 PolarHBondContact O-N 2.84Å; C223-F225 PolarHBondContact O-N 3.25Å
224	E	24.1	Very low	25.4	Very low	139 Å²	139	122 Å²	122	65%	0.65	63%	0.625	S	S	*	*			trans	26.8	66.8	160.6	-57.1	179.3	128.8	0	0	114.4	L222 Y226 Y227	L222-E224 PolarHBondContact O-N 2.94Å; E224-Y226 PolarHBondContact O-N 2.71Å; E224-Y227 HydrophobicContact CB-CD2 3.97Å
225	F	24.6	Very low	24.8	Very low	109 Å²	109	128.9 Å²	128.9	48%	0.478	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	38.1	169.4	-100.4	-97.4	0	0	0	112	V166 F181 C223	V166-F225 HydrophobicContact CG2-CE1 4.37Å; F181-F225 AromaticContact CE1-CE1 3.72Å; F181-F225 HydrophobicContact CE1-CE1 3.72Å; F181-F225 HydrophobicContact CE1-CE2 4.44Å; F181-F225 AromaticContact CE1-CZ 3.69Å; F181-F225 HydrophobicContact CE1-CZ 3.69Å; F181-F225 HydrophobicContact CE2-CE1 4.27Å; F181-F225 HydrophobicContact CE2-CE2 4.44Å; F181-F225 AromaticContact CE2-CZ 3.62Å; F181-F225 HydrophobicContact CE2-CZ 3.62Å; F181-F225 AromaticContact CZ-CE1 3.36Å; F181-F225 HydrophobicContact CZ-CE1 3.36Å; F181-F225 HydrophobicContact CZ-CE2 4.15Å; F181-F225 AromaticContact CZ-CZ 3.14Å; F181-F225 HydrophobicContact CZ-CZ 3.14Å; C223-F225 PolarHBondContact O-N 3.25Å
226	Y	23.7	Very low	24.3	Very low	170 Å²	170	130.1 Å²	130.1	67%	0.667	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-148	35.2	-172.8	-106.5	-74.3	0	0	0	111.6	E224 H274	E224-Y226 PolarHBondContact O-N 2.71Å; Y226-H274 PolarHBondContact OH-CD2 3.34Å
227	Y	23.1	Very low	23.9	Very low	167 Å²	167	129.8 Å²	129.8	66%	0.655	68%	0.68	S	S	*	*	S	Bend	trans	-123.5	21.9	178.5	-107.7	-64.8	0	0	0	115.4	E224	E224-Y227 HydrophobicContact CB-CD2 3.97Å
228	F	24.2	Very low	23.9	Very low	147 Å²	147	130.8 Å²	130.8	65%	0.645	69%	0.685	S	S	*	*	S	Bend	trans	-130.1	7.8	175.3	-111.2	-73.1	0	0	0	117
229	F	24.2	Very low	23.7	Very low	146 Å²	146	128.1 Å²	128.1	64%	0.64	69%	0.691	S	S	*	*	S	Bend	trans	-140.3	58.5	174.1	-86.1	-83.6	0	0	0	112.2	D172	D172-F229 WeakPolarHBondContact OD1-CE2 3.01Å
230	S	23.9	Very low	23.7	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	68%	0.684	S	S	*	*	S	Bend	trans	-161.4	137.3	156.1	-176	0	0	0	0	109.7	C232	S230-C232 PolarHBondContact O-N 3.01Å
231	N	24.9	Very low	23.6	Very low	133 Å²	133	129.9 Å²	129.9	71%	0.711	71%	0.711	S	S	*	*			trans	-57	137.7	171	-73.3	-31.1	0	0	0	110.4	H233	N231-H233 PolarHBondContact O-N 3.34Å
232	C	20.5	Very low	23.7	Very low	120 Å²	120	131.6 Å²	131.6	81%	0.811	72%	0.718	S	S	*	*			trans	-71.9	80.2	166.8	-68	0	0	0	0	109.6	S230	S230-C232 PolarHBondContact O-N 3.01Å
233	H	24.3	Very low	23.7	Very low	158 Å²	158	135.4 Å²	135.4	73%	0.731	72%	0.722	S	S	*	*			trans	-94.9	95.1	153.6	-75.8	-54.9	0	0	0	106.2	N231	N231-H233 PolarHBondContact O-N 3.34Å
234	S	22.7	Very low	23.9	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	74%	0.737	S	S	*	*				75.5	53.7	84.5	74.7	0	0	0	0	113	S236	S234-S236 PolarHBondContact O-N 2.9Å
235	D	23.6	Very low	23.9	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	75%	0.751	S	S	*	*			trans	-85.1	93.1	147.3	-80.2	-30.9	0	0	0	108.1
236	S	22.9	Very low	23.8	Very low	91 Å²	91	147.9 Å²	147.9	64%	0.636	77%	0.772	S	S	*	*			trans	-67.4	150.6	159	46.8	0	0	0	0	109.8	S234	S234-S236 PolarHBondContact O-N 2.9Å
237	N	25.2	Very low	23.9	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	78%	0.775	S	S	*	*	S	Bend	trans	78.2	119.7	167.4	-49.4	-34	0	0	0	117.6
238	N	25.5	Very low	24	Very low	164 Å²	164	148.4 Å²	148.4	88%	0.877	79%	0.785	S	S	*	*			trans	66	109.2	154.5	-46	-28.9	0	0	0	115.4
239	G	23.2	Very low	24	Very low	67 Å²	67	148.4 Å²	148.4	69%	0.691	79%	0.792	S	S	*	*			cis	132.4	155.2	29	0	0	0	0	0	108.7
240	N	24.2	Very low	24	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	80%	0.799	S	S	*	*			trans	69.6	54.1	174.3	-66.8	-33.2	0	0	0	119.8
241	V	23.3	Very low	24	Very low	148 Å²	148	155.4 Å²	155.4	90%	0.897	81%	0.808	S	S	*	*			trans	-114.8	35	158.6	-160.6	0	0	0	0	111.8
242	S	23.6	Very low	24	Very low	119 Å²	119	157.4 Å²	157.4	83%	0.832	81%	0.814	S	S	*	*	S	Bend	trans	-120.2	13.1	-171.3	-43.2	0	0	0	0	114.6
243	R	25.4	Very low	24.1	Very low	233 Å²	233	157.9 Å²	157.9	88%	0.879	82%	0.815	S	S	*	*	S	Bend	trans	-133.9	1.8	-164.9	-124.4	177.1	-176.4	-179.5	0.6	118.1
244	L	24.1	Very low	24.1	Very low	160 Å²	160	159.9 Å²	159.9	84%	0.838	82%	0.822	S	S	*	*	S	Bend	trans	-109.9	4.1	-160.3	-108	164.9	0	0	0	118.4
245	L	25.1	Very low	24	Very low	177 Å²	177	166.2 Å²	166.2	93%	0.927	83%	0.832	S	S	*	*	S	Bend	trans	-124	31.6	-175.1	-68	174.6	0	0	0	114.9
246	R	23.1	Very low	23.9	Very low	248 Å²	248	166.4 Å²	166.4	94%	0.936	83%	0.832	S	S	*	*			trans	-109.6	13.1	-179.5	-111.9	-174	-175.9	-165.5	1.5	116.2
247	T	26	Very low	23.9	Very low	117 Å²	117	167.2 Å²	167.2	72%	0.718	83%	0.833	S	S	*	*			trans	-132	111.7	-176.3	44.7	0	0	0	0	115.1
248	R	25.2	Very low	23.8	Very low	230 Å²	230	165.6 Å²	165.6	87%	0.868	83%	0.828	S	S	*	*			trans	70.2	105.5	140.1	-62.9	-179.5	174.1	-178.7	-2.7	119.6
249	N	24.3	Very low	23.7	Very low	148 Å²	148	164.5 Å²	164.5	79%	0.791	82%	0.822	S	S	*	*				30.2	135.4	116.5	-61.4	2.9	0	0	0	119.6
250	N	23.4	Very low	23.8	Very low	147 Å²	147	167 Å²	167	79%	0.786	83%	0.829	S	S	*	*			trans	60	80.1	157.4	-64.4	-4.2	0	0	0	116.8
251	R	24.7	Very low	24.1	Very low	255 Å²	255	166.6 Å²	166.6	96%	0.962	82%	0.816	S	S	*	*			trans	-169.2	156.4	133.8	-96.4	138.9	-164.5	-156.8	2.8	110.6
252	Q	23.4	Very low	24.2	Very low	175 Å²	175	164.6 Å²	164.6	82%	0.818	81%	0.806	S	S	*	*			trans	-45.9	153.1	-174.8	-65.1	168.1	-14.3	0	0	114.2	K254	Q252-K254 PolarHBondContact O-N 2.92Å
253	P	23.8	Very low	24.4	Very low	130 Å²	130	162.7 Å²	162.7	84%	0.844	79%	0.793	S	S	*	*			trans	-57.2	111.2	173.5	24.6	-33.7	0	0	0	109.7	R255	P253-R255 PolarHBondContact O-N 3.13Å
254	K	23.4	Very low	24.7	Very low	200 Å²	200	155.8 Å²	155.8	87%	0.87	77%	0.772	S	S	*	*			trans	-56.7	127.2	174.5	-77.8	-177	174.4	-178.1	0	108.1	Q252 L256	Q252-K254 PolarHBondContact O-N 2.92Å; K254-L256 PolarHBondContact O-N 3.12Å
255	R	21.8	Very low	25.1	Very low	224 Å²	224	149.2 Å²	149.2	85%	0.845	74%	0.743	S	S	*	*			trans	-47.1	131.1	164.5	-73.5	174.8	167.5	177.6	-4.6	108.1	P253 T257	P253-R255 PolarHBondContact O-N 3.13Å; R255-T257 PolarHBondContact O-N 2.94Å
256	L	20.9	Very low	25.8	Very low	174 Å²	174	149.6 Å²	149.6	91%	0.911	74%	0.738	S	S	*	*			trans	-64.7	86.7	156.6	-79.8	163	0	0	0	106.8	K254 V258	K254-L256 PolarHBondContact O-N 3.12Å; L256-V258 PolarHBondContact O-N 3.18Å
257	T	22.1	Very low	26.3	Very low	107 Å²	107	138.6 Å²	138.6	66%	0.656	70%	0.701	S	S	*	*			trans	-57.6	119.7	162.3	35	0	0	0	0	106.7	R255 D259	R255-T257 PolarHBondContact O-N 2.94Å; T257-D259 PolarHBondContact O-N 3.41Å
258	V	23.4	Very low	26.7	Very low	103 Å²	103	135.4 Å²	135.4	62%	0.624	68%	0.678	S	S	*	*			trans	-65.1	106.6	172.9	177	0	0	0	0	106.3	L256	L256-V258 PolarHBondContact O-N 3.18Å
259	D	23.6	Very low	27.4	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	65%	0.649	S	S	*	*			trans	-57.3	140.7	173.7	-72.4	-41.4	0	0	0	109.3	T257 W261	T257-D259 PolarHBondContact O-N 3.41Å; D259-W261 PolarHBondContact O-N 2.87Å; D259-W261 VanDerWaalsContact O-N 3.17Å
260	S	25.1	Very low	27.9	Very low	120 Å²	120	123.2 Å²	123.2	84%	0.839	63%	0.63	S	S	*	*			trans	-61.9	115.9	-164.9	48.6	0	0	0	0	112.2
261	W	29.9	Very low	28.5	Very low	143 Å²	143	119.9 Å²	119.9	54%	0.542	61%	0.608	S	S	.	*			trans	-65	150.4	169.7	-59.5	71	0	0	0	109.8	D259 S263	D259-W261 PolarHBondContact O-N 2.87Å; D259-W261 VanDerWaalsContact O-N 3.17Å; W261-S263 PolarHBondContact O-N 2.64Å
262	P	25	Very low	29.1	Very low	107 Å²	107	112.8 Å²	112.8	70%	0.695	60%	0.596	S	S	*	*			trans	-66.9	87.5	167.1	28.9	-33.2	0	0	0	109.3	I264	P262-I264 PolarHBondContact O-N 3.17Å
263	S	28.4	Very low	29.5	Very low	79 Å²	79	106.9 Å²	106.9	55%	0.552	58%	0.582	S	S	*	*			trans	-60.8	110.9	168.5	158.9	0	0	0	0	108.6	W261 G265	W261-S263 PolarHBondContact O-N 2.64Å; S263-G265 PolarHBondContact O-N 3.32Å; S263-G265 PolarHBondContact OG-N 3.09Å; S263-G265 PolarHBondContact OG-O 2.94Å
264	I	32.8	Very low	29.8	Very low	87 Å²	87	108.2 Å²	108.2	45%	0.446	58%	0.576	S	S	.	*	S	Bend	trans	-67.9	-20.9	171.7	-0.4	166.5	0	0	0	111.7	P262 E268 T270 I305	P262-I264 PolarHBondContact O-N 3.17Å; I264-E268 HydrophobicContact CB-CB 4.27Å; I264-E268 HydrophobicContact CD1-CB 4.12Å; I264-E268 HydrophobicContact CG1-CB 4.08Å; I264-T270 HydrophobicContact CD1-CG2 3.6Å; I264-T270 HydrophobicContact CG1-CG2 4.27Å; I264-I305 HydrophobicContact CD1-CB 4.38Å; I264-I305 HydrophobicContact CD1-CD1 3.68Å; I264-I305 HydrophobicContact CD1-CG1 3.82Å; I264-I305 HydrophobicContact CD1-CG2 3.76Å
265	G	32.7	Very low	30.2	Very low	22 Å²	22	105.2 Å²	105.2	23%	0.227	57%	0.57	C	S	.	*	B	Isolated β-bridge	trans	180	168.6	178.5	0	0	0	0	0	110.2	S263 G267 E268	S263-G265 PolarHBondContact O-N 3.32Å; S263-G265 PolarHBondContact OG-N 3.09Å; S263-G265 PolarHBondContact OG-O 2.94Å; G265-G267 PolarHBondContact O-N 3.06Å; G265-E268 PolarHBondContact O-N 3.3Å
266	K	38.1	Very low	30.8	Very low	186 Å²	186	97.2 Å²	97.2	81%	0.809	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	105.3	179.6	-169.2	-174.5	-179.1	-167.2	0	109.7
267	G	35	Very low	31.6	Very low	17 Å²	17	95.8 Å²	95.8	18%	0.175	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	7.5	-177.1	0	0	0	0	0	115.4	G265 F269 K307 I308	G265-G267 PolarHBondContact O-N 3.06Å; G267-F269 VanDerWaalsContact C-CE2 3.46Å; G267-F269 WeakPolarHBondContact O-CD2 3.22Å; G267-F269 WeakPolarHBondContact O-CE2 3.18Å; G267-K307 VanDerWaalsContact O-CA 3.3Å; G267-K307 WeakPolarHBondContact O-CA 3.15Å; G267-I308 PolarHBondContact O-N 2.78Å
268	E	34.5	Very low	32.6	Very low	50 Å²	50	91 Å²	91	23%	0.234	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.9	179.5	-47.4	-159.8	173.3	0	0	112.5	I264 G265 I305 Y306 K307	I264-E268 HydrophobicContact CB-CB 4.27Å; I264-E268 HydrophobicContact CD1-CB 4.12Å; I264-E268 HydrophobicContact CG1-CB 4.08Å; G265-E268 PolarHBondContact O-N 3.3Å; E268-I305 HydrophobicContact CB-CG2 4.22Å; E268-Y306 CarbonylContact C-O 3.21Å; E268-Y306 WeakPolarHBondContact CA-O 3.45Å; E268-K307 HydrophobicContact CG-CD 4.04Å; E268-K307 HydrophobicContact CG-CG 4.06Å; E268-K307 WeakPolarHBondContact OE1-CD 3.32Å; E268-K307 WeakPolarHBondContact OE1-CE 3.43Å; E268-K307 IonicContact OE1-NZ 2.64Å; E268-K307 PolarHBondContact OE1-NZ 2.84Å; E268-K307 WeakPolarHBondContact OE2-CE 3.27Å; E268-K307 IonicContact OE2-NZ 3.86Å; E268-K307 PolarHBondContact OE2-NZ 2.87Å
269	F	38.8	Very low	33.6	Very low	58 Å²	58	91.1 Å²	91.1	25%	0.254	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.5	-174.5	-52.7	-97.9	0	0	0	111.3	G267 L278 I305 Y306 I308	G267-F269 VanDerWaalsContact C-CE2 3.46Å; G267-F269 WeakPolarHBondContact O-CD2 3.22Å; G267-F269 WeakPolarHBondContact O-CE2 3.18Å; F269-L278 HydrophobicContact CB-CD2 4.34Å; F269-L278 HydrophobicContact CD1-CD2 4.42Å; F269-L278 HydrophobicContact CD2-CD2 3.17Å; F269-L278 HydrophobicContact CE2-CD2 3.4Å; F269-L278 HydrophobicContact CG-CD2 3.75Å; F269-L278 HydrophobicContact CZ-CD2 4.13Å; F269-I305 WeakPolarHBondContact O-CA 3.1Å; F269-Y306 PolarHBondContact N-O 2.75Å; F269-Y306 PolarHBondContact O-N 2.91Å; F269-I308 HydrophobicContact CE2-CG1 4.46Å
270	T	34.6	Very low	34.7	Very low	64 Å²	64	85 Å²	85	39%	0.393	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.6	169.7	48	0	0	0	0	111.6	I264	I264-T270 HydrophobicContact CD1-CG2 3.6Å; I264-T270 HydrophobicContact CG1-CG2 4.27Å
271	K	37.4	Very low	35.7	Very low	76 Å²	76	82.2 Å²	82.2	33%	0.33	44%	0.439	S	S	.	.			trans	-76.1	125	173.4	-155.4	175.4	-174.6	-179.8	0	108.4	D303 F304 Y306	K271-D303 VanDerWaalsContact CB-OD1 3.24Å; K271-D303 WeakPolarHBondContact CB-OD1 3.45Å; K271-F304 HydrophobicContact CD-CB 4.45Å; K271-F304 HydrophobicContact CD-CD2 3.95Å; K271-F304 PolarHBondContact N-O 2.77Å; K271-Y306 HydrophobicContact CB-CE2 3.85Å; K271-Y306 HydrophobicContact CD-CE2 4.22Å; K271-Y306 WeakPolarHBondContact CD-OH 3.25Å; K271-Y306 WeakPolarHBondContact CE-OH 3.32Å; K271-Y306 HydrophobicContact CG-CE2 3.88Å
272	P	36.1	Very low	36.3	Very low	107 Å²	107	80.5 Å²	80.5	70%	0.695	46%	0.455	S	S	*	.				-155.2	120.3	108.1	33.6	-13.6	0	0	0	114.3
273	G	31.1	Very low	36.9	Very low	51 Å²	51	76.4 Å²	76.4	53%	0.526	43%	0.432	S	S	.	.	S	Bend	trans	147.4	157	167	0	0	0	0	0	114.5	N275	G273-N275 PolarHBondContact O-N 3.46Å
274	H	31.4	Very low	37.6	Very low	158 Å²	158	75.2 Å²	75.2	73%	0.731	42%	0.418	S	S	*	.	S	Bend	trans	-72.9	-4.8	-174.4	-84	-89.5	0	0	0	115.3	Y226	Y226-H274 PolarHBondContact OH-CD2 3.34Å
275	N	32	Very low	37.8	Very low	137 Å²	137	71.4 Å²	71.4	73%	0.733	40%	0.4	S	S	*	.			trans	-143.7	107	178.6	-65.9	-72.1	0	0	0	110.3	G273	G273-N275 PolarHBondContact O-N 3.46Å
276	F	34	Very low	38.3	Very low	55 Å²	55	71.1 Å²	71.1	24%	0.241	39%	0.393	C	S	.	.			trans	-121.6	148.1	171.6	66.1	-92	0	0	0	110.3	L278 Y306 I325	F276-L278 HydrophobicContact CD2-CD1 4.28Å; F276-L278 HydrophobicContact CD2-CD2 4.34Å; F276-L278 HydrophobicContact CD2-CG 3.87Å; F276-L278 HydrophobicContact CE2-CD1 3.81Å; F276-L278 HydrophobicContact CE2-CG 3.89Å; F276-Y306 HydrophobicContact CZ-CE1 4.31Å; F276-I325 HydrophobicContact CE2-CD1 4.2Å; F276-I325 HydrophobicContact CE2-CG2 4.15Å; F276-I325 HydrophobicContact CZ-CG2 4Å
277	K	38.1	Very low	38.3	Very low	144 Å²	144	65.3 Å²	65.3	63%	0.626	37%	0.374	S	S	*	.			trans	-122.3	96.5	-174.9	-171.1	-167.3	177.3	-160	0	110.8
278	L	42.7	Very low	38.5	Very low	8 Å²	8	66 Å²	66	4%	0.042	38%	0.376	C	S	.	.			trans	-80.4	121.9	167.3	-57	179.9	0	0	0	108.7	F269 F276 F289 I308 I325	F269-L278 HydrophobicContact CB-CD2 4.34Å; F269-L278 HydrophobicContact CD1-CD2 4.42Å; F269-L278 HydrophobicContact CD2-CD2 3.17Å; F269-L278 HydrophobicContact CE2-CD2 3.4Å; F269-L278 HydrophobicContact CG-CD2 3.75Å; F269-L278 HydrophobicContact CZ-CD2 4.13Å; F276-L278 HydrophobicContact CD2-CD1 4.28Å; F276-L278 HydrophobicContact CD2-CD2 4.34Å; F276-L278 HydrophobicContact CD2-CG 3.87Å; F276-L278 HydrophobicContact CE2-CD1 3.81Å; F276-L278 HydrophobicContact CE2-CG 3.89Å; L278-F289 HydrophobicContact CD1-CD2 3.78Å; L278-F289 HydrophobicContact CD1-CE2 3.38Å; L278-F289 HydrophobicContact CD1-CZ 4.38Å; L278-I308 HydrophobicContact CB-CD1 4.29Å; L278-I308 HydrophobicContact CB-CG2 4.06Å; L278-I308 HydrophobicContact CD1-CG2 3.93Å; L278-I308 HydrophobicContact CG-CG2 4.46Å; L278-I325 HydrophobicContact CB-CD1 4.13Å; L278-I325 HydrophobicContact CD1-CD1 3.77Å; L278-I325 HydrophobicContact CG-CD1 4.19Å
279	Q	44.1	Very low	38.9	Very low	105 Å²	105	64.7 Å²	64.7	49%	0.491	37%	0.369	S	S	.	.			trans	-143.8	133.2	179.5	169.5	168.5	3.2	0	0	109.6
280	C	45.8	Very low	38.9	Very low	11 Å²	11	64.1 Å²	64.1	7%	0.074	37%	0.371	C	S	.	.			trans	-76.3	157.4	169.1	-65.4	0	0	0	0	112.1	E284 V286 C310	C280-E284 HydrophobicContact CB-CB 3.81Å; C280-E284 WeakPolarHBondContact CB-O 3.47Å; C280-V286 VanDerWaalsContact SG-CA 3.52Å; C280-V286 WeakPolarHBondContact SG-CG2 3.09Å; C280-V286 PolarHBondContact SG-N 2.83Å; C280-C310 WeakPolarHBondContact CA-SG 3.25Å; C280-C310 HydrophobicContact CB-CB 3.71Å; C280-C310 WeakPolarHBondContact CB-SG 3.37Å; C280-C310 WeakPolarHBondContact SG-CB 3.43Å; C280-C310 CovalentContact SG-SG 2.03Å; C280-C310 PolarHBondContact SG-SG 2.83Å
281	P	47.1	Very low	39.1	Very low	61 Å²	61	61.4 Å²	61.4	40%	0.396	35%	0.354	S	S	.	.			trans	-45.7	155.3	164.3	-28.3	35	0	0	0	113.7	G283 E284	P281-G283 PolarHBondContact O-N 2.8Å; P281-E284 HydrophobicContact CB-CB 4.49Å; P281-E284 HydrophobicContact CB-CG 4.34Å; P281-E284 VanDerWaalsContact CD-OE2 3.23Å; P281-E284 WeakPolarHBondContact CD-OE2 3.24Å; P281-E284 WeakPolarHBondContact CG-OE2 3.1Å; P281-E284 PolarHBondContact O-N 3.45Å
282	A	42.8	Very low	39.2	Very low	108 Å²	108	61.7 Å²	61.7	89%	0.893	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	128.6	175	0	0	0	0	0	110.2
283	G	37.4	Very low	39.2	Very low	20 Å²	20	60 Å²	60	21%	0.206	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-9.7	-173.7	0	0	0	0	0	114.8	P281 M312 V313	P281-G283 PolarHBondContact O-N 2.8Å; G283-M312 WeakPolarHBondContact O-CA 3.07Å; G283-V313 WeakPolarHBondContact O-CG2 3.44Å; G283-V313 PolarHBondContact O-N 3.37Å
284	E	43.9	Very low	39.6	Very low	54 Å²	54	60 Å²	60	25%	0.252	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.1	174.8	-65.5	170.2	-148	0	0	111.3	C280 P281 C310 D311 M312	C280-E284 HydrophobicContact CB-CB 3.81Å; C280-E284 WeakPolarHBondContact CB-O 3.47Å; P281-E284 HydrophobicContact CB-CB 4.49Å; P281-E284 HydrophobicContact CB-CG 4.34Å; P281-E284 VanDerWaalsContact CD-OE2 3.23Å; P281-E284 WeakPolarHBondContact CD-OE2 3.24Å; P281-E284 WeakPolarHBondContact CG-OE2 3.1Å; P281-E284 PolarHBondContact O-N 3.45Å; E284-C310 HydrophobicContact CB-CB 4.02Å; E284-C310 WeakPolarHBondContact OE2-CB 3.35Å; E284-D311 CarbonylContact C-O 3.57Å; E284-D311 VanDerWaalsContact CA-O 3.28Å; E284-D311 WeakPolarHBondContact CA-O 3.5Å; E284-M312 HydrophobicContact CG-CG 4.39Å
285	A	36.2	Very low	39.8	Very low	8 Å²	8	56 Å²	56	7%	0.066	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.6	172.4	0	0	0	0	0	109.7	T287 C310 D311 V313 Y321	A285-T287 PolarHBondContact O-N 2.89Å; A285-T287 VanDerWaalsContact O-N 3.11Å; A285-C310 WeakPolarHBondContact O-CA 3.32Å; A285-D311 PolarHBondContact N-O 3.05Å; A285-D311 PolarHBondContact O-N 3.04Å; A285-V313 HydrophobicContact CB-CB 4.29Å; A285-V313 HydrophobicContact CB-CG1 3.63Å; A285-V313 HydrophobicContact CB-CG2 3.67Å; A285-Y321 HydrophobicContact CB-CD1 3.93Å; A285-Y321 HydrophobicContact CB-CE1 4.08Å
286	V	42.8	Very low	39.7	Very low	15 Å²	15	51.5 Å²	51.5	9%	0.091	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	117.3	174.1	174.5	0	0	0	0	108	C280 S288 F289 I308 Q309 R323	C280-V286 VanDerWaalsContact SG-CA 3.52Å; C280-V286 WeakPolarHBondContact SG-CG2 3.09Å; C280-V286 PolarHBondContact SG-N 2.83Å; V286-S288 VanDerWaalsContact CG1-O 3.27Å; V286-S288 WeakPolarHBondContact CG1-O 3.48Å; V286-F289 HydrophobicContact CG1-CB 4.49Å; V286-I308 HydrophobicContact CG1-CB 4.23Å; V286-I308 HydrophobicContact CG1-CG2 3.92Å; V286-I308 HydrophobicContact CG2-CB 4.26Å; V286-I308 HydrophobicContact CG2-CD1 4.27Å; V286-I308 HydrophobicContact CG2-CG2 4.08Å; V286-Q309 CarbonylContact C-O 3.59Å; V286-Q309 VanDerWaalsContact CA-O 3.25Å; V286-Q309 WeakPolarHBondContact CA-O 3.28Å; V286-R323 VanDerWaalsContact CB-NH1 3.32Å; V286-R323 VanDerWaalsContact O-CZ 3.24Å; V286-R323 PolarHBondContact O-NH1 2.81Å; V286-R323 PolarHBondContact O-NH2 2.83Å
287	T	38.2	Very low	39.4	Very low	65 Å²	65	54.9 Å²	54.9	40%	0.399	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-34.7	179.3	47.3	0	0	0	0	112.3	A285 Q309 D311	A285-T287 PolarHBondContact O-N 2.89Å; A285-T287 VanDerWaalsContact O-N 3.11Å; T287-Q309 PolarHBondContact N-O 3.29Å; T287-D311 WeakPolarHBondContact CB-OD2 3.39Å; T287-D311 HydrophobicContact CG2-CB 3.61Å; T287-D311 WeakPolarHBondContact CG2-OD2 3.33Å; T287-D311 VanDerWaalsContact OG1-CG 3.29Å; T287-D311 PolarHBondContact OG1-OD2 2.89Å
288	S	39.5	Very low	39	Very low	32 Å²	32	59.8 Å²	59.8	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.7	165.5	91.2	0	0	0	0	111.9	V286 Q309	V286-S288 VanDerWaalsContact CG1-O 3.27Å; V286-S288 WeakPolarHBondContact CG1-O 3.48Å; S288-Q309 PolarHBondContact O-N 2.8Å; S288-Q309 WeakPolarHBondContact OG-CB 3.35Å; S288-Q309 WeakPolarHBondContact OG-CG 3.09Å; S288-Q309 PolarHBondContact OG-OE1 2.66Å
289	F	43	Very low	38.5	Very low	21 Å²	21	63.2 Å²	63.2	9%	0.092	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	123.5	174.1	164.3	-107.5	0	0	0	107.4	L278 V286 I291 Y306 K307 I308 W347 A369	L278-F289 HydrophobicContact CD1-CD2 3.78Å; L278-F289 HydrophobicContact CD1-CE2 3.38Å; L278-F289 HydrophobicContact CD1-CZ 4.38Å; V286-F289 HydrophobicContact CG1-CB 4.49Å; F289-I291 HydrophobicContact CD1-CG1 4.47Å; F289-I291 HydrophobicContact CE1-CD1 3.8Å; F289-I291 HydrophobicContact CE1-CG1 3.61Å; F289-I291 HydrophobicContact CE2-CG1 4.37Å; F289-I291 HydrophobicContact CZ-CD1 3.88Å; F289-I291 HydrophobicContact CZ-CG1 3.57Å; F289-Y306 AromaticContact CE2-CD1 3.79Å; F289-Y306 HydrophobicContact CE2-CD1 3.79Å; F289-Y306 HydrophobicContact CE2-CG 4.43Å; F289-Y306 AromaticContact CZ-CD1 3.63Å; F289-Y306 HydrophobicContact CZ-CD1 3.63Å; F289-Y306 HydrophobicContact CZ-CE1 4.23Å; F289-K307 CarbonylContact C-O 3.59Å; F289-K307 VanDerWaalsContact CA-O 3.29Å; F289-K307 WeakPolarHBondContact CA-O 3.44Å; F289-K307 VanDerWaalsContact CD2-O 3.28Å; F289-K307 WeakPolarHBondContact CD2-O 3.08Å; F289-I308 HydrophobicContact CB-CG2 4.49Å; F289-I308 HydrophobicContact CD2-CG2 3.93Å; F289-W347 HydrophobicContact CD1-CE3 4.29Å; F289-W347 HydrophobicContact CD1-CH2 4.43Å; F289-W347 AromaticContact CD1-CZ3 3.95Å; F289-W347 HydrophobicContact CD1-CZ3 3.95Å; F289-W347 HydrophobicContact CE1-CE3 4.49Å; F289-A369 HydrophobicContact CD1-CB 4.43Å
290	T	38.8	Very low	38	Very low	47 Å²	47	64.7 Å²	64.7	29%	0.288	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.9	-178	-26.1	0	0	0	0	108.1	Q292 K307	T290-Q292 HydrophobicContact CG2-CG 4.41Å; T290-K307 PolarHBondContact N-O 2.86Å; T290-K307 PolarHBondContact O-N 2.94Å
291	I	39.5	Very low	37.2	Very low	7 Å²	7	72.9 Å²	72.9	4%	0.036	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.7	165.2	-47.2	-179.7	0	0	0	106.1	F289 F304 I305 Y306 F328 V360 V367	F289-I291 HydrophobicContact CD1-CG1 4.47Å; F289-I291 HydrophobicContact CE1-CD1 3.8Å; F289-I291 HydrophobicContact CE1-CG1 3.61Å; F289-I291 HydrophobicContact CE2-CG1 4.37Å; F289-I291 HydrophobicContact CZ-CD1 3.88Å; F289-I291 HydrophobicContact CZ-CG1 3.57Å; I291-F304 HydrophobicContact CG2-CB 3.79Å; I291-F304 HydrophobicContact CG2-CD1 3.58Å; I291-F304 HydrophobicContact CG2-CG 4.09Å; I291-I305 CarbonylContact C-O 3.55Å; I291-I305 WeakPolarHBondContact CA-O 3.39Å; I291-Y306 HydrophobicContact CD1-CD1 4.32Å; I291-Y306 HydrophobicContact CD1-CE1 3.98Å; I291-Y306 HydrophobicContact CG1-CD1 4.04Å; I291-Y306 HydrophobicContact CG1-CE1 4.18Å; I291-Y306 HydrophobicContact CG2-CD1 4.23Å; I291-Y306 HydrophobicContact CG2-CE1 4.13Å; I291-F328 HydrophobicContact CD1-CE2 4.27Å; I291-V360 HydrophobicContact CD1-CG1 3.93Å; I291-V360 HydrophobicContact CD1-CG2 4.44Å; I291-V367 HydrophobicContact CB-CB 4.34Å; I291-V367 HydrophobicContact CB-CG1 4.17Å; I291-V367 HydrophobicContact CB-CG2 4.37Å; I291-V367 VanDerWaalsContact O-CB 3.26Å; I291-V367 WeakPolarHBondContact O-CB 3.41Å; I291-V367 WeakPolarHBondContact O-CG2 3.28Å
292	Q	39.2	Very low	36.4	Very low	81 Å²	81	74.2 Å²	74.2	38%	0.379	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.8	173.4	-69.5	-176.2	-24.6	0	0	108	T290 V294 F304 I305	T290-Q292 HydrophobicContact CG2-CG 4.41Å; Q292-V294 HydrophobicContact CB-CG2 4.49Å; Q292-V294 PolarHBondContact O-N 3.06Å; Q292-F304 WeakPolarHBondContact O-CA 3.45Å; Q292-I305 HydrophobicContact CB-CB 4.48Å; Q292-I305 PolarHBondContact N-O 2.58Å; Q292-I305 PolarHBondContact O-N 2.93Å
293	M	36.4	Very low	36.3	Very low	72 Å²	72	70.9 Å²	70.9	36%	0.355	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.6	169	-165.1	-171.1	-46.2	0	0	107.7	T302 D303 E362	M293-T302 HydrophobicContact CG-CG2 4.13Å; M293-T302 HydrophobicContact SD-CG2 3.64Å; M293-D303 WeakPolarHBondContact CA-O 3.38Å; M293-E362 WeakPolarHBondContact CE-OE1 3.29Å; M293-E362 WeakPolarHBondContact CE-OE2 3.27Å
294	V	38.4	Very low	36.5	Very low	50 Å²	50	71.9 Å²	71.9	30%	0.303	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.9	179	174.2	0	0	0	0	109.1	Q292 V296 D303 I305	Q292-V294 HydrophobicContact CB-CG2 4.49Å; Q292-V294 PolarHBondContact O-N 3.06Å; V294-V296 PolarHBondContact O-N 2.58Å; V294-D303 PolarHBondContact N-O 2.9Å; V294-D303 PolarHBondContact O-N 2.68Å; V294-I305 HydrophobicContact CB-CD1 4.22Å; V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 4.48Å; V294-I305 HydrophobicContact CG2-CB 4.41Å; V294-I305 HydrophobicContact CG2-CD1 3.56Å; V294-I305 HydrophobicContact CG2-CG1 3.76Å
295	V	35.3	Very low	36.5	Very low	74 Å²	74	70.4 Å²	70.4	45%	0.448	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112.2	169.4	-177.7	0	0	0	0	106.9	P297 N300 R301 T302	V295-P297 VanDerWaalsContact O-CD 3.25Å; V295-P297 WeakPolarHBondContact O-CD 3.39Å; V295-N300 WeakPolarHBondContact CG1-OD1 3.25Å; V295-R301 WeakPolarHBondContact CA-O 3.36Å; V295-T302 HydrophobicContact CG2-CG2 4.41Å
296	V	31	Very low	37	Very low	44 Å²	44	70.3 Å²	70.3	27%	0.267	36%	0.36	S	S	.	.			trans	-70.2	113.6	177.6	172.2	0	0	0	0	108.1	V294 W298 N299 N300 R301 D303	V294-V296 PolarHBondContact O-N 2.58Å; V296-W298 PolarHBondContact O-N 3.23Å; V296-N299 WeakPolarHBondContact CB-OD1 3.48Å; V296-N299 WeakPolarHBondContact CG1-OD1 3.36Å; V296-N299 PolarHBondContact O-N 2.98Å; V296-N299 VanDerWaalsContact O-N 3.17Å; V296-N299 PolarHBondContact O-OD1 3.3Å; V296-N300 PolarHBondContact O-N 3.36Å; V296-R301 PolarHBondContact N-O 2.93Å; V296-D303 HydrophobicContact CG2-CB 3.88Å
297	P	26.9	Very low	37.2	Very low	125 Å²	125	71.7 Å²	71.7	81%	0.812	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26	-166.3	-26.7	35.4	0	0	0	114.5	V295	V295-P297 VanDerWaalsContact O-CD 3.25Å; V295-P297 WeakPolarHBondContact O-CD 3.39Å
298	W	29.6	Very low	37.6	Very low	247 Å²	247	69.3 Å²	69.3	94%	0.936	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.6	-176.4	-167.9	-83.7	0	0	0	114.3	V296	V296-W298 PolarHBondContact O-N 3.23Å
299	N	32.2	Very low	38	Very low	81 Å²	81	73.5 Å²	73.5	43%	0.433	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	4.8	-171.3	66.5	19	0	0	0	114.1	V296 R301	V296-N299 WeakPolarHBondContact CB-OD1 3.48Å; V296-N299 WeakPolarHBondContact CG1-OD1 3.36Å; V296-N299 PolarHBondContact O-N 2.98Å; V296-N299 VanDerWaalsContact O-N 3.17Å; V296-N299 PolarHBondContact O-OD1 3.3Å; N299-R301 HydrophobicContact CB-CG 4.44Å; N299-R301 PolarHBondContact O-N 2.94Å; N299-R301 VanDerWaalsContact OD1-CB 3.24Å; N299-R301 WeakPolarHBondContact OD1-CB 3.28Å; N299-R301 WeakPolarHBondContact OD1-CG 3.44Å; N299-R301 PolarHBondContact OD1-N 2.8Å
300	N	33.2	Very low	38.4	Very low	136 Å²	136	74 Å²	74	73%	0.727	37%	0.371	S	S	*	.			trans	53.7	16.3	-177.6	-116.2	4.3	0	0	0	114.8	V295 V296	V295-N300 WeakPolarHBondContact CG1-OD1 3.25Å; V296-N300 PolarHBondContact O-N 3.36Å
301	R	29.5	Very low	38.8	Very low	182 Å²	182	76.1 Å²	76.1	69%	0.687	38%	0.38	S	S	*	.			trans	-76.2	136.2	176.1	-68.2	-174	173.5	-170	-1.1	109.7	V295 V296 N299 D303	V295-R301 WeakPolarHBondContact CA-O 3.36Å; V296-R301 PolarHBondContact N-O 2.93Å; N299-R301 HydrophobicContact CB-CG 4.44Å; N299-R301 PolarHBondContact O-N 2.94Å; N299-R301 VanDerWaalsContact OD1-CB 3.24Å; N299-R301 WeakPolarHBondContact OD1-CB 3.28Å; N299-R301 WeakPolarHBondContact OD1-CG 3.44Å; N299-R301 PolarHBondContact OD1-N 2.8Å; R301-D303 PolarHBondContact O-N 3.02Å
302	T	31.7	Very low	39.1	Very low	90 Å²	90	83.9 Å²	83.9	55%	0.552	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	107.6	163.3	39.4	0	0	0	0	109.2	M293 V295	M293-T302 HydrophobicContact CG-CG2 4.13Å; M293-T302 HydrophobicContact SD-CG2 3.64Å; V295-T302 HydrophobicContact CG2-CG2 4.41Å
303	D	40	Very low	39.2	Very low	38 Å²	38	81.3 Å²	81.3	20%	0.203	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	171	169.3	-157.9	-2.7	0	0	0	110.1	K271 M293 V294 V296 R301	K271-D303 VanDerWaalsContact CB-OD1 3.24Å; K271-D303 WeakPolarHBondContact CB-OD1 3.45Å; M293-D303 WeakPolarHBondContact CA-O 3.38Å; V294-D303 PolarHBondContact N-O 2.9Å; V294-D303 PolarHBondContact O-N 2.68Å; V296-D303 HydrophobicContact CG2-CB 3.88Å; R301-D303 PolarHBondContact O-N 3.02Å
304	F	41.6	Very low	39.2	Very low	41 Å²	41	80.6 Å²	80.6	18%	0.18	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117	177.5	-62.6	-83.7	0	0	0	109.6	K271 I291 Q292 Y306	K271-F304 HydrophobicContact CD-CB 4.45Å; K271-F304 HydrophobicContact CD-CD2 3.95Å; K271-F304 PolarHBondContact N-O 2.77Å; I291-F304 HydrophobicContact CG2-CB 3.79Å; I291-F304 HydrophobicContact CG2-CD1 3.58Å; I291-F304 HydrophobicContact CG2-CG 4.09Å; Q292-F304 WeakPolarHBondContact O-CA 3.45Å; F304-Y306 HydrophobicContact CB-CE2 4.24Å
305	I	43	Very low	39	Very low	23 Å²	23	83 Å²	83	12%	0.118	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.3	163.9	-62.1	-175.1	0	0	0	108.2	I264 E268 F269 I291 Q292 V294 K307	I264-I305 HydrophobicContact CD1-CB 4.38Å; I264-I305 HydrophobicContact CD1-CD1 3.68Å; I264-I305 HydrophobicContact CD1-CG1 3.82Å; I264-I305 HydrophobicContact CD1-CG2 3.76Å; E268-I305 HydrophobicContact CB-CG2 4.22Å; F269-I305 WeakPolarHBondContact O-CA 3.1Å; I291-I305 CarbonylContact C-O 3.55Å; I291-I305 WeakPolarHBondContact CA-O 3.39Å; Q292-I305 HydrophobicContact CB-CB 4.48Å; Q292-I305 PolarHBondContact N-O 2.58Å; Q292-I305 PolarHBondContact O-N 2.93Å; V294-I305 HydrophobicContact CB-CD1 4.22Å; V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 4.48Å; V294-I305 HydrophobicContact CG2-CB 4.41Å; V294-I305 HydrophobicContact CG2-CD1 3.56Å; V294-I305 HydrophobicContact CG2-CG1 3.76Å; I305-K307 HydrophobicContact CG2-CD 4.42Å; I305-K307 HydrophobicContact CG2-CG 3.86Å
306	Y	46.3	Very low	38.9	Very low	6 Å²	6	88.1 Å²	88.1	2%	0.024	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.6	172.1	-62	-74.3	0	0	0	109.3	E268 F269 K271 F276 F289 I291 F304	E268-Y306 CarbonylContact C-O 3.21Å; E268-Y306 WeakPolarHBondContact CA-O 3.45Å; F269-Y306 PolarHBondContact N-O 2.75Å; F269-Y306 PolarHBondContact O-N 2.91Å; K271-Y306 HydrophobicContact CB-CE2 3.85Å; K271-Y306 HydrophobicContact CD-CE2 4.22Å; K271-Y306 WeakPolarHBondContact CD-OH 3.25Å; K271-Y306 WeakPolarHBondContact CE-OH 3.32Å; K271-Y306 HydrophobicContact CG-CE2 3.88Å; F276-Y306 HydrophobicContact CZ-CE1 4.31Å; F289-Y306 AromaticContact CE2-CD1 3.79Å; F289-Y306 HydrophobicContact CE2-CD1 3.79Å; F289-Y306 HydrophobicContact CE2-CG 4.43Å; F289-Y306 AromaticContact CZ-CD1 3.63Å; F289-Y306 HydrophobicContact CZ-CD1 3.63Å; F289-Y306 HydrophobicContact CZ-CE1 4.23Å; I291-Y306 HydrophobicContact CD1-CD1 4.32Å; I291-Y306 HydrophobicContact CD1-CE1 3.98Å; I291-Y306 HydrophobicContact CG1-CD1 4.04Å; I291-Y306 HydrophobicContact CG1-CE1 4.18Å; I291-Y306 HydrophobicContact CG2-CD1 4.23Å; I291-Y306 HydrophobicContact CG2-CE1 4.13Å; F304-Y306 HydrophobicContact CB-CE2 4.24Å
307	K	47.5	Very low	38.8	Very low	43 Å²	43	90.1 Å²	90.1	19%	0.187	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.7	176.7	-54.3	-162.5	176.7	-163.5	0	110.4	G267 E268 F289 T290 I305	G267-K307 VanDerWaalsContact O-CA 3.3Å; G267-K307 WeakPolarHBondContact O-CA 3.15Å; E268-K307 HydrophobicContact CG-CD 4.04Å; E268-K307 HydrophobicContact CG-CG 4.06Å; E268-K307 WeakPolarHBondContact OE1-CD 3.32Å; E268-K307 WeakPolarHBondContact OE1-CE 3.43Å; E268-K307 IonicContact OE1-NZ 2.64Å; E268-K307 PolarHBondContact OE1-NZ 2.84Å; E268-K307 WeakPolarHBondContact OE2-CE 3.27Å; E268-K307 IonicContact OE2-NZ 3.86Å; E268-K307 PolarHBondContact OE2-NZ 2.87Å; F289-K307 CarbonylContact C-O 3.59Å; F289-K307 VanDerWaalsContact CA-O 3.29Å; F289-K307 WeakPolarHBondContact CA-O 3.44Å; F289-K307 VanDerWaalsContact CD2-O 3.28Å; F289-K307 WeakPolarHBondContact CD2-O 3.08Å; T290-K307 PolarHBondContact N-O 2.86Å; T290-K307 PolarHBondContact O-N 2.94Å; I305-K307 HydrophobicContact CG2-CD 4.42Å; I305-K307 HydrophobicContact CG2-CG 3.86Å
308	I	46.5	Very low	38.8	Very low	16 Å²	16	88.6 Å²	88.6	8%	0.082	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.9	167	51	172.8	0	0	0	110.5	G267 F269 L278 V286 F289	G267-I308 PolarHBondContact O-N 2.78Å; F269-I308 HydrophobicContact CE2-CG1 4.46Å; L278-I308 HydrophobicContact CB-CD1 4.29Å; L278-I308 HydrophobicContact CB-CG2 4.06Å; L278-I308 HydrophobicContact CD1-CG2 3.93Å; L278-I308 HydrophobicContact CG-CG2 4.46Å; V286-I308 HydrophobicContact CG1-CB 4.23Å; V286-I308 HydrophobicContact CG1-CG2 3.92Å; V286-I308 HydrophobicContact CG2-CB 4.26Å; V286-I308 HydrophobicContact CG2-CD1 4.27Å; V286-I308 HydrophobicContact CG2-CG2 4.08Å; F289-I308 HydrophobicContact CB-CG2 4.49Å; F289-I308 HydrophobicContact CD2-CG2 3.93Å
309	Q	48.8	Very low	38.5	Very low	119 Å²	119	81.7 Å²	81.7	56%	0.556	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	142.4	159.1	-69.5	179	-37.7	0	0	108.7	V286 T287 S288	V286-Q309 CarbonylContact C-O 3.59Å; V286-Q309 VanDerWaalsContact CA-O 3.25Å; V286-Q309 WeakPolarHBondContact CA-O 3.28Å; T287-Q309 PolarHBondContact N-O 3.29Å; S288-Q309 PolarHBondContact O-N 2.8Å; S288-Q309 WeakPolarHBondContact OG-CB 3.35Å; S288-Q309 WeakPolarHBondContact OG-CG 3.09Å; S288-Q309 PolarHBondContact OG-OE1 2.66Å
310	C	50.4	Low	38	Very low	31 Å²	31	79.1 Å²	79.1	21%	0.209	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117	-174.2	-67.8	0	0	0	0	108.5	C280 E284 A285	C280-C310 WeakPolarHBondContact CA-SG 3.25Å; C280-C310 HydrophobicContact CB-CB 3.71Å; C280-C310 WeakPolarHBondContact CB-SG 3.37Å; C280-C310 WeakPolarHBondContact SG-CB 3.43Å; C280-C310 CovalentContact SG-SG 2.03Å; C280-C310 PolarHBondContact SG-SG 2.83Å; E284-C310 HydrophobicContact CB-CB 4.02Å; E284-C310 WeakPolarHBondContact OE2-CB 3.35Å; A285-C310 WeakPolarHBondContact O-CA 3.32Å
311	D	47.4	Very low	37.5	Very low	92 Å²	92	75.4 Å²	75.4	49%	0.492	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.7	175.7	-56.8	-46.8	0	0	0	110.5	E284 A285 T287 V313	E284-D311 CarbonylContact C-O 3.57Å; E284-D311 VanDerWaalsContact CA-O 3.28Å; E284-D311 WeakPolarHBondContact CA-O 3.5Å; A285-D311 PolarHBondContact N-O 3.05Å; A285-D311 PolarHBondContact O-N 3.04Å; T287-D311 WeakPolarHBondContact CB-OD2 3.39Å; T287-D311 HydrophobicContact CG2-CB 3.61Å; T287-D311 WeakPolarHBondContact CG2-OD2 3.33Å; T287-D311 VanDerWaalsContact OG1-CG 3.29Å; T287-D311 PolarHBondContact OG1-OD2 2.89Å; D311-V313 PolarHBondContact O-N 2.85Å
312	M	47.1	Very low	37.4	Very low	171 Å²	171	73.9 Å²	73.9	84%	0.842	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	131.4	-177.7	-64.3	-155.4	-64.9	0	0	112.3	G283 E284	G283-M312 WeakPolarHBondContact O-CA 3.07Å; E284-M312 HydrophobicContact CG-CG 4.39Å
313	V	40	Very low	37.2	Very low	26 Å²	26	72.6 Å²	72.6	16%	0.158	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-102.2	143.4	170.7	-101.4	0	0	0	0	110.3	G283 A285 D311 M317	G283-V313 WeakPolarHBondContact O-CG2 3.44Å; G283-V313 PolarHBondContact O-N 3.37Å; A285-V313 HydrophobicContact CB-CB 4.29Å; A285-V313 HydrophobicContact CB-CG1 3.63Å; A285-V313 HydrophobicContact CB-CG2 3.67Å; D311-V313 PolarHBondContact O-N 2.85Å; V313-M317 HydrophobicContact CB-CB 4.19Å; V313-M317 HydrophobicContact CG1-CB 4.18Å; V313-M317 HydrophobicContact CG1-SD 4.03Å
314	S	37.1	Very low	36.8	Very low	58 Å²	58	79.9 Å²	79.9	41%	0.406	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-56.5	146.8	176.6	76.9	0	0	0	0	110.9	Q316 M317 Q318	S314-Q316 PolarHBondContact O-N 3.15Å; S314-M317 PolarHBondContact O-N 3Å; S314-Q318 PolarHBondContact O-N 3.14Å
315	P	34.6	Very low	36.3	Very low	101 Å²	101	79.7 Å²	79.7	66%	0.656	40%	0.398	S	S	*	.	H	α-helix	trans	-53.1	-29.6	179.8	-29.2	36.3	0	0	0	114	M317 Q318	P315-M317 VanDerWaalsContact C-N 3.33Å; P315-M317 PolarHBondContact O-N 2.92Å; P315-Q318 PolarHBondContact O-N 3.2Å
316	Q	32	Very low	35.7	Very low	180 Å²	180	81.3 Å²	81.3	84%	0.841	41%	0.411	S	S	*	.	H	α-helix	trans	-67.4	-27.1	176.4	-66.1	173.7	-12.6	0	0	113.4	S314	S314-Q316 PolarHBondContact O-N 3.15Å
317	M	29.2	Very low	35.1	Very low	86 Å²	86	86.2 Å²	86.2	42%	0.424	43%	0.432	S	S	.	.	H	α-helix	trans	-84.8	-25.4	172.4	-74.8	-159.5	-176.4	0	0	113.7	V313 S314 P315 T319 A320 Y321	V313-M317 HydrophobicContact CB-CB 4.19Å; V313-M317 HydrophobicContact CG1-CB 4.18Å; V313-M317 HydrophobicContact CG1-SD 4.03Å; S314-M317 PolarHBondContact O-N 3Å; P315-M317 VanDerWaalsContact C-N 3.33Å; P315-M317 PolarHBondContact O-N 2.92Å; M317-T319 VanDerWaalsContact C-N 3.26Å; M317-T319 PolarHBondContact O-N 3.15Å; M317-T319 VanDerWaalsContact O-N 3.11Å; M317-A320 PolarHBondContact O-N 2.85Å; M317-Y321 HydrophobicContact CB-CD2 4.41Å; M317-Y321 HydrophobicContact CB-CE2 4.18Å; M317-Y321 WeakPolarHBondContact O-CD2 3.11Å; M317-Y321 HydrophobicContact SD-CE2 4.14Å
318	Q	26.1	Very low	34.3	Very low	93 Å²	93	87 Å²	87	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-55.3	-37	-168.4	-72.3	-179.2	8.5	0	0	114	S314 P315 A320	S314-Q318 PolarHBondContact O-N 3.14Å; P315-Q318 PolarHBondContact O-N 3.2Å; Q318-A320 PolarHBondContact O-N 3.38Å; Q318-A320 VanDerWaalsContact O-N 3.15Å
319	T	24	Very low	33.6	Very low	102 Å²	102	89.8 Å²	89.8	63%	0.626	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.6	-179.3	47.7	0	0	0	0	113.6	M317 R453	M317-T319 VanDerWaalsContact C-N 3.26Å; M317-T319 PolarHBondContact O-N 3.15Å; M317-T319 VanDerWaalsContact O-N 3.11Å; T319-R453 VanDerWaalsContact C-NH1 3.3Å; T319-R453 PolarHBondContact O-NH1 3.07Å; T319-R453 VanDerWaalsContact O-NH1 3.14Å; T319-R453 PolarHBondContact O-NH2 3.47Å
320	A	22.1	Very low	32.6	Very low	27 Å²	27	91.3 Å²	91.3	22%	0.223	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-13.9	-173.1	0	0	0	0	0	115.5	M317 Q318 H322 L352	M317-A320 PolarHBondContact O-N 2.85Å; Q318-A320 PolarHBondContact O-N 3.38Å; Q318-A320 VanDerWaalsContact O-N 3.15Å; A320-H322 PolarHBondContact O-N 3.5Å; A320-L352 HydrophobicContact CB-CD2 3.72Å; A320-L352 HydrophobicContact CB-CG 4.34Å
321	Y	23.3	Very low	31.7	Very low	59 Å²	59	92.7 Å²	92.7	23%	0.231	46%	0.46	C	S	.	.			trans	-98.9	63.8	-161.3	-86.5	-110	0	0	0	114.4	A285 M317 R323 R351	A285-Y321 HydrophobicContact CB-CD1 3.93Å; A285-Y321 HydrophobicContact CB-CE1 4.08Å; M317-Y321 HydrophobicContact CB-CD2 4.41Å; M317-Y321 HydrophobicContact CB-CE2 4.18Å; M317-Y321 WeakPolarHBondContact O-CD2 3.11Å; M317-Y321 HydrophobicContact SD-CE2 4.14Å; Y321-R323 PolarHBondContact O-N 2.8Å; Y321-R351 PolarHBondContact OH-NH2 3.28Å
322	H	25.9	Very low	30.8	Very low	150 Å²	150	94.8 Å²	94.8	69%	0.694	48%	0.477	S	S	*	.			trans	-91.8	75.5	158.3	-90.2	-77.1	0	0	0	110.5	A320 R324	A320-H322 PolarHBondContact O-N 3.5Å; H322-R324 PolarHBondContact O-N 3.34Å; H322-R324 VanDerWaalsContact O-N 3.07Å
323	R	28.9	Very low	30.1	Very low	62 Å²	62	88.6 Å²	88.6	23%	0.234	46%	0.456	C	S	.	.			trans	-61.8	112.6	170.5	-77.7	-167	170.1	169.5	20.6	109.6	V286 Y321 E349	V286-R323 VanDerWaalsContact CB-NH1 3.32Å; V286-R323 VanDerWaalsContact O-CZ 3.24Å; V286-R323 PolarHBondContact O-NH1 2.81Å; V286-R323 PolarHBondContact O-NH2 2.83Å; Y321-R323 PolarHBondContact O-N 2.8Å; R323-E349 VanDerWaalsContact CD-OE1 3.31Å; R323-E349 WeakPolarHBondContact CD-OE1 3.17Å; R323-E349 WeakPolarHBondContact CG-OE1 3.18Å; R323-E349 IonicContact CZ-OE1 2.67Å; R323-E349 IonicContact NE-OE1 3.31Å; R323-E349 PolarHBondContact NE-OE1 2.86Å; R323-E349 IonicContact NH2-OE1 3.8Å
324	R	30.5	Very low	29.7	Very low	191 Å²	191	97.7 Å²	97.7	72%	0.721	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.8	168.3	-84.3	-175.7	170	-179	-3.2	109.5	H322 S326	H322-R324 PolarHBondContact O-N 3.34Å; H322-R324 VanDerWaalsContact O-N 3.07Å; R324-S326 PolarHBondContact O-N 3.11Å
325	I	31.7	Very low	29.7	Very low	38 Å²	38	103.5 Å²	103.5	20%	0.195	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.4	161.7	-57.6	-171.2	0	0	0	105.9	F276 L278 W347	F276-I325 HydrophobicContact CE2-CD1 4.2Å; F276-I325 HydrophobicContact CE2-CG2 4.15Å; F276-I325 HydrophobicContact CZ-CG2 4Å; L278-I325 HydrophobicContact CB-CD1 4.13Å; L278-I325 HydrophobicContact CD1-CD1 3.77Å; L278-I325 HydrophobicContact CG-CD1 4.19Å; I325-W347 HydrophobicContact CD1-CZ2 3.89Å; I325-W347 HydrophobicContact CG1-CZ2 3.87Å
326	S	30.8	Very low	30.1	Very low	56 Å²	56	105.7 Å²	105.7	39%	0.392	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-23.6	-170	50.2	0	0	0	0	113.8	R324 S348	R324-S326 PolarHBondContact O-N 3.11Å; S326-S348 PolarHBondContact OG-O 3.26Å; S326-S348 PolarHBondContact OG-OG 2.97Å
327	K	32.4	Very low	30.5	Very low	110 Å²	110	98.3 Å²	98.3	48%	0.478	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	146.3	177.3	-150.1	171.4	-179.5	-172.6	0	111	E329	K327-E329 HydrophobicContact CD-CG 3.73Å; K327-E329 WeakPolarHBondContact CD-OE1 3.3Å; K327-E329 WeakPolarHBondContact CE-OE1 3.46Å; K327-E329 HydrophobicContact CG-CG 4.01Å; K327-E329 IonicContact NZ-OE1 2.62Å; K327-E329 PolarHBondContact NZ-OE1 3.28Å
328	F	30.9	Very low	31.4	Very low	58 Å²	58	98.8 Å²	98.8	25%	0.254	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.4	159.3	-177.2	-88	0	0	0	106.8	I291 Q330 V360	I291-F328 HydrophobicContact CD1-CE2 4.27Å; F328-Q330 HydrophobicContact CE1-CB 4.39Å; F328-V360 HydrophobicContact CE2-CG2 4.39Å
329	E	32.4	Very low	32.4	Very low	75 Å²	75	101.3 Å²	101.3	35%	0.35	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115	172.8	-70.8	-175.8	157.6	0	0	108.6	K327 I331 G345 L346	K327-E329 HydrophobicContact CD-CG 3.73Å; K327-E329 WeakPolarHBondContact CD-OE1 3.3Å; K327-E329 WeakPolarHBondContact CE-OE1 3.46Å; K327-E329 HydrophobicContact CG-CG 4.01Å; K327-E329 IonicContact NZ-OE1 2.62Å; K327-E329 PolarHBondContact NZ-OE1 3.28Å; E329-I331 HydrophobicContact CB-CG1 4.36Å; E329-I331 PolarHBondContact O-N 3.01Å; E329-G345 CarbonylContact O-C 3.5Å; E329-G345 WeakPolarHBondContact O-CA 3.43Å; E329-L346 PolarHBondContact N-O 3.02Å; E329-L346 PolarHBondContact O-N 3.34Å
330	Q	28.2	Very low	33.5	Very low	152 Å²	152	103.1 Å²	103.1	71%	0.71	50%	0.501	S	S	*	.			trans	-67.3	117.7	168.1	-178.6	176.7	-5.3	0	0	107.8	F328	F328-Q330 HydrophobicContact CE1-CB 4.39Å
331	I	31.6	Very low	34.4	Very low	60 Å²	60	102.6 Å²	102.6	31%	0.308	49%	0.494	S	S	.	.			trans	-113.7	115.9	178.3	-62.1	-149.4	0	0	0	109.3	E329 G333 L343 L346	E329-I331 HydrophobicContact CB-CG1 4.36Å; E329-I331 PolarHBondContact O-N 3.01Å; I331-G333 PolarHBondContact O-N 3.4Å; I331-L343 HydrophobicContact CB-CD2 4.17Å; I331-L343 HydrophobicContact CG2-CD2 4Å; I331-L346 HydrophobicContact CD1-CB 4.43Å; I331-L346 HydrophobicContact CD1-CD1 3.38Å; I331-L346 HydrophobicContact CD1-CG 3.6Å; I331-L346 HydrophobicContact CG1-CD1 4.28Å; I331-L346 HydrophobicContact CG1-CG 3.94Å
332	T	28.4	Very low	35.2	Very low	136 Å²	136	103.3 Å²	103.3	83%	0.834	51%	0.505	S	S	*	.			trans	-77.3	104.1	167.1	49.2	0	0	0	0	109.3
333	G	32.2	Very low	35.8	Very low	40 Å²	40	97.2 Å²	97.2	41%	0.412	48%	0.477	S	S	.	.			trans	-171.4	134.2	175.6	0	0	0	0	0	111.7	I331 E335	I331-G333 PolarHBondContact O-N 3.4Å; G333-E335 PolarHBondContact O-N 3.17Å
334	K	31.1	Very low	36.2	Very low	217 Å²	217	98.6 Å²	98.6	94%	0.943	48%	0.482	S	S	*	.	S	Bend	trans	-83.6	7	-169	-79.5	-170.7	170.3	-172.4	0	115.8
335	E	37.7	Very low	36.4	Very low	181 Å²	181	89.5 Å²	89.5	85%	0.846	45%	0.448	S	S	*	.	S	Bend	trans	-124.5	19.4	-152.7	-60.2	-176.6	161.8	0	0	117	G333	G333-E335 PolarHBondContact O-N 3.17Å
336	R	42.3	Very low	36.6	Very low	146 Å²	146	88.8 Å²	88.8	55%	0.551	45%	0.445	S	S	*	.	S	Bend	trans	-133.1	4	-178.2	-65.5	-165.1	-175.6	-178.1	7.3	116.9	Y359	R336-Y359 HydrophobicContact CB-CD1 4.01Å; R336-Y359 HydrophobicContact CB-CE1 4.23Å; R336-Y359 HydrophobicContact CG-CE1 4.32Å; R336-Y359 PolarHBondContact NH1-OH 3.48Å
337	C	40.5	Very low	37.1	Very low	26 Å²	26	86.6 Å²	86.6	18%	0.176	43%	0.428	C	S	.	.	S	Bend	trans	-122.5	151.7	-179.3	-64.7	0	0	0	0	108.9	E341 L343 C361	C337-E341 HydrophobicContact CB-CB 3.49Å; C337-E341 VanDerWaalsContact CB-CB 3.49Å; C337-E341 WeakPolarHBondContact CB-O 3.4Å; C337-L343 VanDerWaalsContact SG-CA 3.58Å; C337-C361 VanDerWaalsContact CA-SG 3.55Å; C337-C361 HydrophobicContact CB-CB 3.69Å; C337-C361 WeakPolarHBondContact CB-SG 3.34Å; C337-C361 WeakPolarHBondContact SG-CA 3Å; C337-C361 WeakPolarHBondContact SG-CB 3.29Å; C337-C361 CovalentContact SG-SG 2.04Å; C337-C361 PolarHBondContact SG-SG 3.14Å
338	Q	48.2	Very low	37.3	Very low	95 Å²	95	81.6 Å²	81.6	44%	0.444	41%	0.406	S	S	.	.			trans	-89.7	146.6	-169.3	-73.1	-170.8	-43.3	0	0	113	D340 E341	Q338-D340 PolarHBondContact O-N 2.61Å; Q338-E341 PolarHBondContact N-OE2 2.87Å; Q338-E341 VanDerWaalsContact O-CB 3.24Å; Q338-E341 WeakPolarHBondContact O-CB 3.4Å; Q338-E341 WeakPolarHBondContact O-CG 3.47Å; Q338-E341 PolarHBondContact O-N 3.31Å
339	N	47.4	Very low	37.4	Very low	147 Å²	147	79.1 Å²	79.1	79%	0.786	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-92.8	170.9	-51.3	-12.1	0	0	0	112.1
340	D	48	Very low	37.5	Very low	139 Å²	139	78.4 Å²	78.4	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	4.5	-179.4	-57.5	-67.9	0	0	0	112.8	Q338 V342	Q338-D340 PolarHBondContact O-N 2.61Å; D340-V342 PolarHBondContact O-N 2.97Å
341	E	39.8	Very low	37.6	Very low	16 Å²	16	76.8 Å²	76.8	8%	0.075	38%	0.377	C	S	.	.			trans	-66.7	128.1	-180	-74.4	174.3	167.5	0	0	111.8	C337 Q338 C361 E362 E363 R368 R370	C337-E341 HydrophobicContact CB-CB 3.49Å; C337-E341 VanDerWaalsContact CB-CB 3.49Å; C337-E341 WeakPolarHBondContact CB-O 3.4Å; Q338-E341 PolarHBondContact N-OE2 2.87Å; Q338-E341 VanDerWaalsContact O-CB 3.24Å; Q338-E341 WeakPolarHBondContact O-CB 3.4Å; Q338-E341 WeakPolarHBondContact O-CG 3.47Å; Q338-E341 PolarHBondContact O-N 3.31Å; E341-C361 HydrophobicContact CB-CB 3.99Å; E341-C361 HydrophobicContact CG-CB 4.17Å; E341-C361 WeakPolarHBondContact OE2-CB 3.49Å; E341-E362 CarbonylContact C-O 3.54Å; E341-E362 VanDerWaalsContact CA-O 3.28Å; E341-E362 WeakPolarHBondContact CA-O 3.47Å; E341-E363 HydrophobicContact CG-CB 3.92Å; E341-E363 HydrophobicContact CG-CG 4.42Å; E341-R368 IonicContact OE1-NH1 2.94Å; E341-R370 IonicContact OE1-CZ 2.68Å; E341-R370 IonicContact OE1-NE 3.34Å; E341-R370 PolarHBondContact OE1-NE 3.06Å; E341-R370 IonicContact OE1-NH2 3.9Å; E341-R370 PolarHBondContact OE1-NH2 3.27Å; E341-R370 IonicContact OE2-CZ 2.93Å; E341-R370 IonicContact OE2-NE 3.49Å; E341-R370 IonicContact OE2-NH2 3.4Å; E341-R370 PolarHBondContact OE2-NH2 2.93Å
342	V	39.8	Very low	37.3	Very low	75 Å²	75	77 Å²	77	46%	0.455	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.5	176	-178.5	0	0	0	0	111	D340 R344 C361 E362	D340-V342 PolarHBondContact O-N 2.97Å; V342-R344 PolarHBondContact O-N 2.93Å; V342-R344 VanDerWaalsContact O-N 3.12Å; V342-C361 CarbonylContact O-C 3.29Å; V342-C361 WeakPolarHBondContact O-CA 3.07Å; V342-E362 PolarHBondContact N-O 2.78Å; V342-E362 PolarHBondContact O-N 3.36Å
343	L	38.2	Very low	37.3	Very low	22 Å²	22	70.7 Å²	70.7	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	109.2	171.5	-176.1	68.7	0	0	0	110.1	I331 C337 L346 Y359	I331-L343 HydrophobicContact CB-CD2 4.17Å; I331-L343 HydrophobicContact CG2-CD2 4Å; C337-L343 VanDerWaalsContact SG-CA 3.58Å; L343-L346 HydrophobicContact CD1-CD2 4.48Å; L343-Y359 HydrophobicContact CD1-CD1 4.18Å
344	R	39.4	Very low	37.2	Very low	91 Å²	91	74.5 Å²	74.5	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-19.8	178.3	-72.5	-63.1	-163.6	178.4	-1.4	113.8	V342 V360 E362	V342-R344 PolarHBondContact O-N 2.93Å; V342-R344 VanDerWaalsContact O-N 3.12Å; R344-V360 HydrophobicContact CB-CG1 4.06Å; R344-V360 PolarHBondContact N-O 3.33Å; R344-E362 HydrophobicContact CG-CB 3.73Å; R344-E362 WeakPolarHBondContact CG-OE2 3.44Å; R344-E362 IonicContact CZ-OE1 2.64Å; R344-E362 IonicContact CZ-OE2 2.71Å; R344-E362 IonicContact NE-OE1 3.37Å; R344-E362 PolarHBondContact NE-OE1 3.17Å; R344-E362 IonicContact NE-OE2 3.46Å; R344-E362 PolarHBondContact NE-OE2 2.9Å; R344-E362 IonicContact NH2-OE1 3.73Å; R344-E362 PolarHBondContact NH2-OE1 2.87Å; R344-E362 IonicContact NH2-OE2 2.98Å; R344-E362 PolarHBondContact NH2-OE2 3.46Å
345	G	34.4	Very low	37.4	Very low	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	169.1	173.7	0	0	0	0	0	114.8	E329 V360	E329-G345 CarbonylContact O-C 3.5Å; E329-G345 WeakPolarHBondContact O-CA 3.43Å; G345-V360 WeakPolarHBondContact O-CB 2.99Å; G345-V360 PolarHBondContact O-N 3.32Å
346	L	36	Very low	37.2	Very low	23 Å²	23	59.4 Å²	59.4	12%	0.12	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.3	163	-61.4	-169.6	0	0	0	110	E329 I331 L343 I357 Y359	E329-L346 PolarHBondContact N-O 3.02Å; E329-L346 PolarHBondContact O-N 3.34Å; I331-L346 HydrophobicContact CD1-CB 4.43Å; I331-L346 HydrophobicContact CD1-CD1 3.38Å; I331-L346 HydrophobicContact CD1-CG 3.6Å; I331-L346 HydrophobicContact CG1-CD1 4.28Å; I331-L346 HydrophobicContact CG1-CG 3.94Å; L343-L346 HydrophobicContact CD1-CD2 4.48Å; L346-I357 HydrophobicContact CB-CG2 4.1Å; L346-I357 HydrophobicContact CD1-CG2 4.11Å; L346-I357 HydrophobicContact CD2-CG2 4.14Å; L346-I357 HydrophobicContact CG-CG2 4.35Å; L346-Y359 HydrophobicContact CD2-CD1 3.39Å; L346-Y359 HydrophobicContact CD2-CE1 3.36Å; L346-Y359 HydrophobicContact CD2-CG 4.41Å
347	W	39.9	Very low	36.9	Very low	10 Å²	10	54.2 Å²	54.2	4%	0.038	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.5	167.1	168.8	30.8	0	0	0	108.5	F289 I325 E349 I357 A358 W371	F289-W347 HydrophobicContact CD1-CE3 4.29Å; F289-W347 HydrophobicContact CD1-CH2 4.43Å; F289-W347 AromaticContact CD1-CZ3 3.95Å; F289-W347 HydrophobicContact CD1-CZ3 3.95Å; F289-W347 HydrophobicContact CE1-CE3 4.49Å; I325-W347 HydrophobicContact CD1-CZ2 3.89Å; I325-W347 HydrophobicContact CG1-CZ2 3.87Å; W347-E349 HydrophobicContact CZ2-CB 4.25Å; W347-I357 CarbonylContact O-C 3.52Å; W347-I357 VanDerWaalsContact O-CA 3.25Å; W347-I357 WeakPolarHBondContact O-CA 3.12Å; W347-I357 WeakPolarHBondContact O-CG2 3.26Å; W347-A358 HydrophobicContact CB-CB 4.32Å; W347-A358 HydrophobicContact CD2-CB 4.25Å; W347-A358 HydrophobicContact CE3-CB 3.64Å; W347-A358 HydrophobicContact CZ3-CB 4.4Å; W347-A358 PolarHBondContact N-O 3.01Å; W347-A358 PolarHBondContact O-N 2.83Å; W347-W371 HydrophobicContact CE3-CH2 4.43Å; W347-W371 AromaticContact CH2-CH2 3.14Å; W347-W371 HydrophobicContact CH2-CH2 3.14Å; W347-W371 AromaticContact CH2-CZ2 3.61Å; W347-W371 HydrophobicContact CH2-CZ2 3.61Å; W347-W371 AromaticContact CH2-CZ3 3.86Å; W347-W371 HydrophobicContact CH2-CZ3 3.86Å; W347-W371 AromaticContact CZ2-CH2 3.99Å; W347-W371 HydrophobicContact CZ2-CH2 3.99Å; W347-W371 HydrophobicContact CZ2-CZ3 4.48Å; W347-W371 HydrophobicContact CZ3-CE3 4.47Å; W347-W371 AromaticContact CZ3-CH2 3.39Å; W347-W371 HydrophobicContact CZ3-CH2 3.39Å; W347-W371 AromaticContact CZ3-CZ2 3.61Å; W347-W371 HydrophobicContact CZ3-CZ2 3.61Å; W347-W371 AromaticContact CZ3-CZ3 3.84Å; W347-W371 HydrophobicContact CZ3-CZ3 3.84Å
348	S	36.5	Very low	36.7	Very low	4 Å²	4	53 Å²	53	3%	0.028	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	162.1	65.9	0	0	0	0	113.8	S326 R355 T356	S326-S348 PolarHBondContact OG-O 3.26Å; S326-S348 PolarHBondContact OG-OG 2.97Å; S348-R355 VanDerWaalsContact CB-NE 3.29Å; S348-R355 PolarHBondContact OG-NE 3.41Å; S348-R355 VanDerWaalsContact OG-NE 3.14Å; S348-R355 PolarHBondContact OG-NH2 2.71Å; S348-T356 CarbonylContact C-O 3.59Å; S348-T356 VanDerWaalsContact CA-O 3.28Å; S348-T356 WeakPolarHBondContact CA-O 3.42Å
349	E	33.8	Very low	36.3	Very low	6 Å²	6	49.2 Å²	49.2	3%	0.028	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.7	169.5	-177	-158.1	-151.7	0	0	108.9	R323 W347 R355 T356 W371	R323-E349 VanDerWaalsContact CD-OE1 3.31Å; R323-E349 WeakPolarHBondContact CD-OE1 3.17Å; R323-E349 WeakPolarHBondContact CG-OE1 3.18Å; R323-E349 IonicContact CZ-OE1 2.67Å; R323-E349 IonicContact NE-OE1 3.31Å; R323-E349 PolarHBondContact NE-OE1 2.86Å; R323-E349 IonicContact NH2-OE1 3.8Å; W347-E349 HydrophobicContact CZ2-CB 4.25Å; E349-R355 CarbonylContact O-C 3.52Å; E349-R355 WeakPolarHBondContact O-CA 3.47Å; E349-T356 PolarHBondContact N-O 3.11Å; E349-T356 PolarHBondContact O-N 3.24Å; E349-T356 PolarHBondContact O-OG1 3.26Å; E349-T356 PolarHBondContact OE2-OG1 3.25Å; E349-W371 HydrophobicContact CB-CZ3 4.35Å; E349-W371 WeakPolarHBondContact OE2-CZ3 3.5Å
350	Y	33.9	Very low	36	Very low	61 Å²	61	42.4 Å²	42.4	24%	0.239	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.4	161.1	-79.6	-91.1	0	0	0	109.3	Y354 R355 N447	Y350-Y354 WeakPolarHBondContact CA-O 3.37Å; Y350-R355 HydrophobicContact CD1-CB 4.41Å; Y350-R355 HydrophobicContact CE1-CB 3.98Å; Y350-R355 HydrophobicContact CE1-CG 4.32Å; Y350-R355 HydrophobicContact CE2-CG 4.24Å; Y350-N447 HydrophobicContact CE1-CB 4.28Å
351	R	30.9	Very low	35.6	Very low	117 Å²	117	35.8 Å²	35.8	44%	0.442	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119	172.5	-176	-179.8	-175.7	-161.7	1	109.4	Y321 G353 Y354	Y321-R351 PolarHBondContact OH-NH2 3.28Å; R351-G353 PolarHBondContact O-N 2.89Å; R351-Y354 PolarHBondContact N-O 3.29Å; R351-Y354 PolarHBondContact O-N 2.84Å
352	L	25.6	Very low	35.6	Very low	66 Å²	66	35.8 Å²	35.8	35%	0.346	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	29.9	-179	-74.2	163.1	0	0	0	112	A320 Q449 Q450	A320-L352 HydrophobicContact CB-CD2 3.72Å; A320-L352 HydrophobicContact CB-CG 4.34Å; L352-Q449 CarbonylContact O-C 3.59Å; L352-Q450 HydrophobicContact CB-CG 4.2Å; L352-Q450 WeakPolarHBondContact O-CA 3.35Å; L352-Q450 WeakPolarHBondContact O-CB 3.28Å; L352-Q450 WeakPolarHBondContact O-CG 3.18Å; L352-Q450 PolarHBondContact O-N 3.2Å; L352-Q450 VanDerWaalsContact O-N 3.13Å; L352-Q450 PolarHBondContact O-NE2 2.83Å; L352-Q450 VanDerWaalsContact O-NE2 3.12Å
353	G	27.9	Very low	35.6	Very low	2 Å²	2	35.2 Å²	35.2	2%	0.021	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	22.4	-178.3	0	0	0	0	0	118.8	R351 V448 Q449	R351-G353 PolarHBondContact O-N 2.89Å; G353-V448 CarbonylContact O-C 3.52Å; G353-V448 WeakPolarHBondContact O-CA 3.27Å; G353-V448 PolarHBondContact O-N 3.41Å; G353-Q449 VanDerWaalsContact CA-CA 3.47Å; G353-Q449 VanDerWaalsContact CA-N 3.29Å; G353-Q449 PolarHBondContact O-N 3.44Å
354	Y	30	Very low	35.9	Very low	120 Å²	120	37.2 Å²	37.2	47%	0.471	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.8	154	-79	-119.7	0	0	0	107.5	Y350 R351 T356 Q450	Y350-Y354 WeakPolarHBondContact CA-O 3.37Å; R351-Y354 PolarHBondContact N-O 3.29Å; R351-Y354 PolarHBondContact O-N 2.84Å; Y354-T356 PolarHBondContact O-N 3.03Å; Y354-Q450 HydrophobicContact CD2-CB 3.67Å; Y354-Q450 HydrophobicContact CD2-CG 4.09Å; Y354-Q450 HydrophobicContact CE2-CB 3.4Å; Y354-Q450 HydrophobicContact CE2-CG 3.81Å
355	R	34.7	Very low	35.4	Very low	56 Å²	56	38.2 Å²	38.2	21%	0.211	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	96.6	173.1	-169.1	179.2	-175.9	-151.6	-5.8	109.2	S348 E349 Y350	S348-R355 VanDerWaalsContact CB-NE 3.29Å; S348-R355 PolarHBondContact OG-NE 3.41Å; S348-R355 VanDerWaalsContact OG-NE 3.14Å; S348-R355 PolarHBondContact OG-NH2 2.71Å; E349-R355 CarbonylContact O-C 3.52Å; E349-R355 WeakPolarHBondContact O-CA 3.47Å; Y350-R355 HydrophobicContact CD1-CB 4.41Å; Y350-R355 HydrophobicContact CE1-CB 3.98Å; Y350-R355 HydrophobicContact CE1-CG 4.32Å; Y350-R355 HydrophobicContact CE2-CG 4.24Å
356	T	34.7	Very low	35.1	Very low	25 Å²	25	42.7 Å²	42.7	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.9	170.2	11.4	0	0	0	0	109.1	S348 E349 Y354	S348-T356 CarbonylContact C-O 3.59Å; S348-T356 VanDerWaalsContact CA-O 3.28Å; S348-T356 WeakPolarHBondContact CA-O 3.42Å; E349-T356 PolarHBondContact N-O 3.11Å; E349-T356 PolarHBondContact O-N 3.24Å; E349-T356 PolarHBondContact O-OG1 3.26Å; E349-T356 PolarHBondContact OE2-OG1 3.25Å; Y354-T356 PolarHBondContact O-N 3.03Å
357	I	35.2	Very low	35.1	Very low	37 Å²	37	42.5 Å²	42.5	19%	0.19	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.9	169.9	-54.1	-174.6	0	0	0	108.3	L346 W347	L346-I357 HydrophobicContact CB-CG2 4.1Å; L346-I357 HydrophobicContact CD1-CG2 4.11Å; L346-I357 HydrophobicContact CD2-CG2 4.14Å; L346-I357 HydrophobicContact CG-CG2 4.35Å; W347-I357 CarbonylContact O-C 3.52Å; W347-I357 VanDerWaalsContact O-CA 3.25Å; W347-I357 WeakPolarHBondContact O-CA 3.12Å; W347-I357 WeakPolarHBondContact O-CG2 3.26Å
358	A	37	Very low	34.8	Very low	1 Å²	1	47.8 Å²	47.8	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.7	174	0	0	0	0	0	110.2	W347 W371	W347-A358 HydrophobicContact CB-CB 4.32Å; W347-A358 HydrophobicContact CD2-CB 4.25Å; W347-A358 HydrophobicContact CE3-CB 3.64Å; W347-A358 HydrophobicContact CZ3-CB 4.4Å; W347-A358 PolarHBondContact N-O 3.01Å; W347-A358 PolarHBondContact O-N 2.83Å; A358-W371 HydrophobicContact CB-CE3 4.29Å
359	Y	39	Very low	34.7	Very low	16 Å²	16	48.9 Å²	48.9	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.4	177.9	-63	-81.2	0	0	0	109.2	R336 L343 L346 A369 R370 H374	R336-Y359 HydrophobicContact CB-CD1 4.01Å; R336-Y359 HydrophobicContact CB-CE1 4.23Å; R336-Y359 HydrophobicContact CG-CE1 4.32Å; R336-Y359 PolarHBondContact NH1-OH 3.48Å; L343-Y359 HydrophobicContact CD1-CD1 4.18Å; L346-Y359 HydrophobicContact CD2-CD1 3.39Å; L346-Y359 HydrophobicContact CD2-CE1 3.36Å; L346-Y359 HydrophobicContact CD2-CG 4.41Å; Y359-A369 WeakPolarHBondContact O-CA 3.42Å; Y359-R370 PolarHBondContact N-O 3.46Å; Y359-R370 PolarHBondContact O-N 3.19Å; Y359-H374 AromaticContact CZ-NE2 3.91Å; Y359-H374 PolarHBondContact OH-CE1 3.36Å; Y359-H374 VanDerWaalsContact OH-CE1 3.25Å; Y359-H374 PolarHBondContact OH-NE2 2.83Å
360	V	40.4	Very low	34.7	Very low	3 Å²	3	52.1 Å²	52.1	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105	174.1	-175.5	0	0	0	0	107.8	I291 F328 R344 G345 V367	I291-V360 HydrophobicContact CD1-CG1 3.93Å; I291-V360 HydrophobicContact CD1-CG2 4.44Å; F328-V360 HydrophobicContact CE2-CG2 4.39Å; R344-V360 HydrophobicContact CB-CG1 4.06Å; R344-V360 PolarHBondContact N-O 3.33Å; G345-V360 WeakPolarHBondContact O-CB 2.99Å; G345-V360 PolarHBondContact O-N 3.32Å; V360-V367 HydrophobicContact CG1-CG1 3.37Å
361	C	40.5	Very low	34.7	Very low	1 Å²	1	53.9 Å²	53.9	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.7	-177.1	-66.5	0	0	0	0	109.6	C337 E341 V342 V367 R368	C337-C361 VanDerWaalsContact CA-SG 3.55Å; C337-C361 HydrophobicContact CB-CB 3.69Å; C337-C361 WeakPolarHBondContact CB-SG 3.34Å; C337-C361 WeakPolarHBondContact SG-CA 3Å; C337-C361 WeakPolarHBondContact SG-CB 3.29Å; C337-C361 CovalentContact SG-SG 2.04Å; C337-C361 PolarHBondContact SG-SG 3.14Å; E341-C361 HydrophobicContact CB-CB 3.99Å; E341-C361 HydrophobicContact CG-CB 4.17Å; E341-C361 WeakPolarHBondContact OE2-CB 3.49Å; V342-C361 CarbonylContact O-C 3.29Å; V342-C361 WeakPolarHBondContact O-CA 3.07Å; C361-V367 CarbonylContact O-C 3.46Å; C361-V367 WeakPolarHBondContact O-CA 3.05Å; C361-R368 PolarHBondContact N-O 3.16Å; C361-R368 PolarHBondContact O-N 2.68Å
362	E	39.7	Very low	34.6	Very low	16 Å²	16	55.5 Å²	55.5	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115	-176	-179.9	-179.1	112	0	0	111.5	M293 E341 V342 R344 G364 N366 V367	M293-E362 WeakPolarHBondContact CE-OE1 3.29Å; M293-E362 WeakPolarHBondContact CE-OE2 3.27Å; E341-E362 CarbonylContact C-O 3.54Å; E341-E362 VanDerWaalsContact CA-O 3.28Å; E341-E362 WeakPolarHBondContact CA-O 3.47Å; V342-E362 PolarHBondContact N-O 2.78Å; V342-E362 PolarHBondContact O-N 3.36Å; R344-E362 HydrophobicContact CG-CB 3.73Å; R344-E362 WeakPolarHBondContact CG-OE2 3.44Å; R344-E362 IonicContact CZ-OE1 2.64Å; R344-E362 IonicContact CZ-OE2 2.71Å; R344-E362 IonicContact NE-OE1 3.37Å; R344-E362 PolarHBondContact NE-OE1 3.17Å; R344-E362 IonicContact NE-OE2 3.46Å; R344-E362 PolarHBondContact NE-OE2 2.9Å; R344-E362 IonicContact NH2-OE1 3.73Å; R344-E362 PolarHBondContact NH2-OE1 2.87Å; R344-E362 IonicContact NH2-OE2 2.98Å; R344-E362 PolarHBondContact NH2-OE2 3.46Å; E362-G364 VanDerWaalsContact CG-O 3.3Å; E362-G364 WeakPolarHBondContact CG-O 3.44Å; E362-N366 CarbonylContact C-O 3.58Å; E362-N366 WeakPolarHBondContact CA-O 3.33Å; E362-V367 HydrophobicContact CG-CG2 4.37Å
363	E	40.9	Very low	34.6	Very low	63 Å²	63	57.7 Å²	57.7	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	91.4	175.3	-166.2	175.1	-160.8	0	0	108.3	E341 S365 N366 R368	E341-E363 HydrophobicContact CG-CB 3.92Å; E341-E363 HydrophobicContact CG-CG 4.42Å; E363-S365 PolarHBondContact O-N 2.79Å; E363-N366 PolarHBondContact N-O 3.47Å; E363-N366 WeakPolarHBondContact O-CB 3.34Å; E363-N366 PolarHBondContact O-N 2.82Å; E363-R368 IonicContact OE2-CZ 2.72Å; E363-R368 VanDerWaalsContact OE2-CZ 3.31Å; E363-R368 IonicContact OE2-NH1 3.37Å; E363-R368 PolarHBondContact OE2-NH1 3.05Å; E363-R368 IonicContact OE2-NH2 3.64Å
364	G	42.6	Very low	34.7	Very low	64 Å²	64	60.9 Å²	60.9	66%	0.66	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-117.6	-173.1	0	0	0	0	0	112	E362	E362-G364 VanDerWaalsContact CG-O 3.3Å; E362-G364 WeakPolarHBondContact CG-O 3.44Å
365	S	29.6	Very low	34.5	Very low	111 Å²	111	59.1 Å²	59.1	78%	0.776	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.6	175.3	53.1	0	0	0	0	114.2	E363	E363-S365 PolarHBondContact O-N 2.79Å
366	N	28.1	Very low	34	Very low	95 Å²	95	60.6 Å²	60.6	51%	0.508	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.9	-176.4	-69.4	-47.5	0	0	0	111.7	E362 E363	E362-N366 CarbonylContact C-O 3.58Å; E362-N366 WeakPolarHBondContact CA-O 3.33Å; E363-N366 PolarHBondContact N-O 3.47Å; E363-N366 WeakPolarHBondContact O-CB 3.34Å; E363-N366 PolarHBondContact O-N 2.82Å
367	V	35.4	Very low	33.6	Very low	19 Å²	19	65.3 Å²	65.3	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.3	168.4	-172.3	0	0	0	0	110.1	I291 V360 C361 E362	I291-V367 HydrophobicContact CB-CB 4.34Å; I291-V367 HydrophobicContact CB-CG1 4.17Å; I291-V367 HydrophobicContact CB-CG2 4.37Å; I291-V367 VanDerWaalsContact O-CB 3.26Å; I291-V367 WeakPolarHBondContact O-CB 3.41Å; I291-V367 WeakPolarHBondContact O-CG2 3.28Å; V360-V367 HydrophobicContact CG1-CG1 3.37Å; C361-V367 CarbonylContact O-C 3.46Å; C361-V367 WeakPolarHBondContact O-CA 3.05Å; E362-V367 HydrophobicContact CG-CG2 4.37Å
368	R	33.7	Very low	33	Very low	121 Å²	121	66.9 Å²	66.9	46%	0.457	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.4	170.6	-71.2	-177.9	178.7	141	4.9	110.2	E341 C361 E363 R370	E341-R368 IonicContact OE1-NH1 2.94Å; C361-R368 PolarHBondContact N-O 3.16Å; C361-R368 PolarHBondContact O-N 2.68Å; E363-R368 IonicContact OE2-CZ 2.72Å; E363-R368 VanDerWaalsContact OE2-CZ 3.31Å; E363-R368 IonicContact OE2-NH1 3.37Å; E363-R368 PolarHBondContact OE2-NH1 3.05Å; E363-R368 IonicContact OE2-NH2 3.64Å; R368-R370 HydrophobicContact CB-CG 4.49Å; R368-R370 PolarHBondContact O-N 2.85Å
369	A	35.4	Very low	32.4	Very low	26 Å²	26	77 Å²	77	22%	0.215	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	99.4	163.6	0	0	0	0	0	108.9	F289 Y359 W371	F289-A369 HydrophobicContact CD1-CB 4.43Å; Y359-A369 WeakPolarHBondContact O-CA 3.42Å; A369-W371 PolarHBondContact O-N 2.74Å
370	R	34	Very low	31.6	Very low	74 Å²	74	83.3 Å²	83.3	28%	0.279	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	105	175.7	-65.7	-167.1	-169.3	-150.5	15.1	109.6	E341 Y359 R368 R372	E341-R370 IonicContact OE1-CZ 2.68Å; E341-R370 IonicContact OE1-NE 3.34Å; E341-R370 PolarHBondContact OE1-NE 3.06Å; E341-R370 IonicContact OE1-NH2 3.9Å; E341-R370 PolarHBondContact OE1-NH2 3.27Å; E341-R370 IonicContact OE2-CZ 2.93Å; E341-R370 IonicContact OE2-NE 3.49Å; E341-R370 IonicContact OE2-NH2 3.4Å; E341-R370 PolarHBondContact OE2-NH2 2.93Å; Y359-R370 PolarHBondContact N-O 3.46Å; Y359-R370 PolarHBondContact O-N 3.19Å; R368-R370 HydrophobicContact CB-CG 4.49Å; R368-R370 PolarHBondContact O-N 2.85Å; R370-R372 PolarHBondContact O-N 3.12Å
371	W	32.8	Very low	30.8	Very low	98 Å²	98	90 Å²	90	37%	0.371	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	115.3	165.5	-59.8	102.2	0	0	0	109.4	W347 E349 A358 A369	W347-W371 HydrophobicContact CE3-CH2 4.43Å; W347-W371 AromaticContact CH2-CH2 3.14Å; W347-W371 HydrophobicContact CH2-CH2 3.14Å; W347-W371 AromaticContact CH2-CZ2 3.61Å; W347-W371 HydrophobicContact CH2-CZ2 3.61Å; W347-W371 AromaticContact CH2-CZ3 3.86Å; W347-W371 HydrophobicContact CH2-CZ3 3.86Å; W347-W371 AromaticContact CZ2-CH2 3.99Å; W347-W371 HydrophobicContact CZ2-CH2 3.99Å; W347-W371 HydrophobicContact CZ2-CZ3 4.48Å; W347-W371 HydrophobicContact CZ3-CE3 4.47Å; W347-W371 AromaticContact CZ3-CH2 3.39Å; W347-W371 HydrophobicContact CZ3-CH2 3.39Å; W347-W371 AromaticContact CZ3-CZ2 3.61Å; W347-W371 HydrophobicContact CZ3-CZ2 3.61Å; W347-W371 AromaticContact CZ3-CZ3 3.84Å; W347-W371 HydrophobicContact CZ3-CZ3 3.84Å; E349-W371 HydrophobicContact CB-CZ3 4.35Å; E349-W371 WeakPolarHBondContact OE2-CZ3 3.5Å; A358-W371 HydrophobicContact CB-CE3 4.29Å; A369-W371 PolarHBondContact O-N 2.74Å
372	R	29.3	Very low	29.9	Very low	151 Å²	151	100.9 Å²	100.9	57%	0.57	52%	0.523	S	S	*	.			trans	-116.7	123.2	159.4	-73	-169.4	173.8	-171.2	0.1	107.5	R370 H374	R370-R372 PolarHBondContact O-N 3.12Å; R372-H374 PolarHBondContact O-N 2.85Å; R372-H374 VanDerWaalsContact O-N 3.11Å
373	P	27	Very low	29	Very low	112 Å²	112	107.7 Å²	107.7	73%	0.727	56%	0.559	S	S	*	*			trans	-59.2	120.5	168.1	23.9	-29.3	0	0	0	107.3	P375	P373-P375 WeakPolarHBondContact O-CD 2.84Å
374	H	28.9	Very low	28.2	Very low	69 Å²	69	111.5 Å²	111.5	32%	0.319	58%	0.581	S	S	.	*			trans	-90.4	107.6	171.2	-101.3	-11.2	0	0	0	108.5	Y359 R372 V376	Y359-H374 AromaticContact CZ-NE2 3.91Å; Y359-H374 PolarHBondContact OH-CE1 3.36Å; Y359-H374 VanDerWaalsContact OH-CE1 3.25Å; Y359-H374 PolarHBondContact OH-NE2 2.83Å; R372-H374 PolarHBondContact O-N 2.85Å; R372-H374 VanDerWaalsContact O-N 3.11Å; H374-V376 PolarHBondContact O-N 2.04Å
375	P	25.3	Very low	27.4	Very low	83 Å²	83	114.3 Å²	114.3	54%	0.539	59%	0.587	S	S	.	*			trans	-68.2	120.7	166.6	30.6	-34.4	0	0	0	108.4	P373 H377	P373-P375 WeakPolarHBondContact O-CD 2.84Å; P375-H377 VanDerWaalsContact C-N 3.35Å; P375-H377 WeakPolarHBondContact CB-NE2 3.46Å; P375-H377 WeakPolarHBondContact CG-NE2 3.04Å; P375-H377 PolarHBondContact O-CD2 2.71Å; P375-H377 PolarHBondContact O-N 2.7Å
376	V	25.5	Very low	27.2	Very low	87 Å²	87	113.6 Å²	113.6	53%	0.527	59%	0.588	S	S	.	*			trans	-80.7	85.1	177.4	-177.1	0	0	0	0	108.6	H374 G378	H374-V376 PolarHBondContact O-N 2.04Å; V376-G378 PolarHBondContact O-N 2.79Å; V376-G378 VanDerWaalsContact O-N 3.15Å
377	H	25.9	Very low	26.9	Very low	125 Å²	125	120.2 Å²	120.2	58%	0.579	61%	0.606	S	S	*	*			trans	-78.8	91.2	172.9	-64.1	-83.9	0	0	0	110.4	P375 K399	P375-H377 VanDerWaalsContact C-N 3.35Å; P375-H377 WeakPolarHBondContact CB-NE2 3.46Å; P375-H377 WeakPolarHBondContact CG-NE2 3.04Å; P375-H377 PolarHBondContact O-CD2 2.71Å; P375-H377 PolarHBondContact O-N 2.7Å; H377-K399 PolarHBondContact CE1-O 2.64Å
378	G	22.9	Very low	26.3	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	64%	0.641	S	S	*	*			trans	-86.8	149.9	165.9	0	0	0	0	0	111.8	V376	V376-G378 PolarHBondContact O-N 2.79Å; V376-G378 VanDerWaalsContact O-N 3.15Å
379	R	23.4	Very low	25.9	Very low	214 Å²	214	127.3 Å²	127.3	81%	0.808	65%	0.651	S	S	*	*			trans	-125	90.9	164.4	-131.7	-180	-173.1	175.4	3.3	110.8
380	L	23.2	Very low	25.3	Very low	149 Å²	149	131.4 Å²	131.4	78%	0.78	68%	0.678	S	S	*	*			trans	-56.7	141.8	141.2	-77.5	136.3	0	0	0	106.9
381	N	22	Very low	25	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	69%	0.687	S	S	*	*			cis	-156.2	177.9	35.5	-75.9	-60.9	0	0	0	110.7
382	Y	22.4	Very low	24.8	Very low	231 Å²	231	133.8 Å²	133.8	91%	0.906	70%	0.703	S	S	*	*			trans	-129.3	104.8	156.8	-147.8	-87	0	0	0	110.7
383	L	21.2	Very low	24.8	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	71%	0.708	S	S	*	*			trans	-160.7	99.6	162.7	-118.4	167.9	0	0	0	110.5
384	N	23.9	Very low	24.9	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	69%	0.694	S	S	*	*			trans	66.2	158.4	164.1	-94.7	-8.3	0	0	0	119.9
385	P	26.2	Very low	24.9	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	69%	0.694	S	S	*	*			trans	-132	76.6	-137.7	36.2	-13.7	0	0	0	111.6
386	A	23.9	Very low	25.2	Very low	96 Å²	96	129.8 Å²	129.8	79%	0.793	68%	0.679	S	S	*	*			trans	-138.9	138.6	176.8	0	0	0	0	0	112.3
387	R	23.7	Very low	25.4	Very low	235 Å²	235	131.8 Å²	131.8	89%	0.887	68%	0.681	S	S	*	*			trans	-49.6	137	179.4	-58.7	166.7	173.8	-172.5	-4.3	113.3
388	T	22.6	Very low	25.6	Very low	136 Å²	136	130.7 Å²	130.7	83%	0.834	68%	0.677	S	S	*	*			trans	134.3	135.8	138.6	54.6	0	0	0	0	114.5
389	F	24.5	Very low	26	Very low	153 Å²	153	134.4 Å²	134.4	67%	0.671	67%	0.674	S	S	*	*			trans	-88.6	141.9	171	-83.3	-114	0	0	0	109.8	T414	F389-T414 HydrophobicContact CE1-CG2 4.11Å; F389-T414 HydrophobicContact CZ-CG2 3.85Å
390	S	23.4	Very low	26.2	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	65%	0.652	S	S	*	*			trans	-160.2	130.9	159.5	67.4	0	0	0	0	113.5
391	A	26.2	Very low	26.3	Very low	57 Å²	57	122.3 Å²	122.3	47%	0.471	63%	0.63	S	S	.	*				-161.3	134.1	120.6	0	0	0	0	0	105.2	Q396	A391-Q396 PolarHBondContact O-OE1 2.99Å
392	K	28.6	Very low	26.7	Very low	164 Å²	164	121.9 Å²	121.9	71%	0.713	62%	0.619	S	S	*	*			cis	79.9	55.5	6.1	-146.5	-175.9	-173.7	-178.4	0	117.1
393	K	30.5	Very low	26.8	Very low	153 Å²	153	116.6 Å²	116.6	67%	0.665	61%	0.606	S	S	*	*			trans	-161.4	166.8	147.1	-105.3	155.9	-171.9	-172.2	0	110.7	D395 Q396	K393-D395 VanDerWaalsContact C-N 3.31Å; K393-Q396 HydrophobicContact CB-CG 4.14Å; K393-Q396 WeakPolarHBondContact O-CB 3.19Å; K393-Q396 VanDerWaalsContact O-CG 3.29Å; K393-Q396 WeakPolarHBondContact O-CG 3.37Å; K393-Q396 PolarHBondContact O-OE1 2.81Å
394	T	29.8	Very low	27.3	Very low	70 Å²	70	111.8 Å²	111.8	43%	0.429	58%	0.583	S	S	.	*	S	Bend	trans	-93.1	-1.4	-164.3	43.9	0	0	0	0	113.2	F421 P426	T394-F421 VanDerWaalsContact CB-CZ 3.41Å; T394-F421 WeakPolarHBondContact OG1-CE2 3.19Å; T394-F421 WeakPolarHBondContact OG1-CZ 3.06Å; T394-P426 HydrophobicContact CG2-CB 4.48Å; T394-P426 HydrophobicContact CG2-CG 3.36Å
395	D	27.4	Very low	27.3	Very low	63 Å²	63	115.2 Å²	115.2	34%	0.337	59%	0.587	S	S	.	*	S	Bend	trans	-113.2	64.6	172.1	21.2	0.7	0	0	0	107.8	K393 S419 F421	K393-D395 VanDerWaalsContact C-N 3.31Å; D395-S419 VanDerWaalsContact C-OG 3.3Å; D395-S419 CarbonylContact O-C 3.58Å; D395-S419 VanDerWaalsContact O-CA 3.27Å; D395-S419 WeakPolarHBondContact O-CA 3.16Å; D395-S419 PolarHBondContact O-N 3.42Å; D395-F421 HydrophobicContact CB-CD2 3.89Å; D395-F421 HydrophobicContact CB-CE2 4.45Å; D395-F421 HydrophobicContact CB-CG 4.49Å
396	Q	32.4	Very low	27.8	Very low	46 Å²	46	112 Å²	112	22%	0.215	57%	0.567	C	S	.	*			trans	-136.2	105.9	-176	-63.9	-166	-32.4	0	0	118.6	A391 K393 F417 S419	A391-Q396 PolarHBondContact O-OE1 2.99Å; K393-Q396 HydrophobicContact CB-CG 4.14Å; K393-Q396 WeakPolarHBondContact O-CB 3.19Å; K393-Q396 VanDerWaalsContact O-CG 3.29Å; K393-Q396 WeakPolarHBondContact O-CG 3.37Å; K393-Q396 PolarHBondContact O-OE1 2.81Å; Q396-F417 HydrophobicContact CB-CB 4.18Å; Q396-S419 WeakPolarHBondContact CA-OG 3.42Å; Q396-S419 PolarHBondContact N-OG 2.79Å
397	F	29.3	Very low	27.9	Very low	128 Å²	128	112.5 Å²	112.5	56%	0.561	57%	0.571	S	S	*	*			trans	-87.5	130.9	-179.5	-83.8	-59.5	0	0	0	111.6	K399 F417 D418 S419 Y420	F397-K399 PolarHBondContact O-N 2.71Å; F397-F417 CarbonylContact O-C 3.05Å; F397-F417 WeakPolarHBondContact O-CA 3.43Å; F397-F417 PolarHBondContact O-N 2.81Å; F397-D418 VanDerWaalsContact CB-O 3.28Å; F397-D418 WeakPolarHBondContact CB-O 3.42Å; F397-D418 PolarHBondContact N-O 2.72Å; F397-D418 PolarHBondContact O-N 2.9Å; F397-S419 VanDerWaalsContact CB-CB 3.46Å; F397-S419 PolarHBondContact N-OG 3.2Å; F397-Y420 AromaticContact CD2-CD2 3.87Å; F397-Y420 HydrophobicContact CD2-CD2 3.87Å; F397-Y420 HydrophobicContact CD2-CE2 4.01Å; F397-Y420 AromaticContact CE2-CD2 3.39Å; F397-Y420 HydrophobicContact CE2-CD2 3.39Å; F397-Y420 AromaticContact CE2-CE2 3.63Å; F397-Y420 HydrophobicContact CE2-CE2 3.63Å; F397-Y420 HydrophobicContact CZ-CD2 4.24Å
398	M	30.8	Very low	28	Very low	103 Å²	103	113 Å²	113	51%	0.507	57%	0.573	S	S	.	*			trans	-49.3	134.2	166.7	-110.1	167	60	0	0	113.4	E416 F417	M398-E416 WeakPolarHBondContact CA-OE1 3.28Å; M398-E416 HydrophobicContact CB-CB 4.16Å; M398-E416 HydrophobicContact CB-CG 4.36Å; M398-E416 WeakPolarHBondContact CB-OE1 3.07Å; M398-E416 HydrophobicContact CG-CB 3.49Å; M398-E416 VanDerWaalsContact CG-CB 3.49Å; M398-E416 HydrophobicContact CG-CG 3.91Å; M398-E416 WeakPolarHBondContact CG-OE1 3.35Å; M398-F417 HydrophobicContact CB-CD1 4.31Å; M398-F417 HydrophobicContact CB-CE1 4.28Å; M398-F417 HydrophobicContact CG-CD1 3.69Å; M398-F417 HydrophobicContact CG-CD2 4.3Å; M398-F417 HydrophobicContact CG-CE1 3.34Å; M398-F417 HydrophobicContact CG-CE2 3.96Å; M398-F417 HydrophobicContact CG-CG 4.17Å; M398-F417 HydrophobicContact CG-CZ 3.47Å; M398-F417 VanDerWaalsContact CG-CZ 3.47Å; M398-F417 HydrophobicContact SD-CE1 3.6Å; M398-F417 VanDerWaalsContact SD-CE1 3.6Å; M398-F417 HydrophobicContact SD-CE2 4.38Å; M398-F417 HydrophobicContact SD-CZ 3.5Å; M398-F417 WeakPolarHBondContact SD-CZ 3.12Å
399	K	30.1	Very low	28.2	Very low	147 Å²	147	108.3 Å²	108.3	64%	0.639	55%	0.546	S	S	*	.			trans	-113.1	8.6	-171.5	-155.3	-171.4	179.1	166.5	0	116.1	H377 F397 E416	H377-K399 PolarHBondContact CE1-O 2.64Å; F397-K399 PolarHBondContact O-N 2.71Å; K399-E416 VanDerWaalsContact N-CG 3.34Å; K399-E416 PolarHBondContact N-OE1 3.46Å
400	G	27.3	Very low	28.2	Very low	33 Å²	33	102.2 Å²	102.2	34%	0.34	53%	0.526	S	S	.	.			trans	89.9	123.7	-161.8	0	0	0	0	0	116	E416	G400-E416 WeakPolarHBondContact CA-OE1 3.37Å; G400-E416 WeakPolarHBondContact CA-OE2 3.45Å; G400-E416 PolarHBondContact N-OE1 2.89Å; G400-E416 WeakPolarHBondContact O-CG 3.42Å
401	F	26.8	Very low	28.4	Very low	76 Å²	76	98.9 Å²	98.9	33%	0.333	50%	0.501	S	S	.	.			trans	-114.4	-149.7	166.3	78.4	-99.8	0	0	0	112.2	T414 A415 E416	F401-T414 WeakPolarHBondContact CA-O 3.3Å; F401-T414 VanDerWaalsContact CB-O 3.28Å; F401-T414 WeakPolarHBondContact CB-O 3.45Å; F401-A415 HydrophobicContact CB-CB 3.22Å; F401-A415 HydrophobicContact CD1-CB 3.85Å; F401-A415 HydrophobicContact CD2-CB 4.22Å; F401-A415 HydrophobicContact CG-CB 3.61Å; F401-E416 HydrophobicContact CB-CG 3.93Å; F401-E416 HydrophobicContact CD1-CG 4.24Å; F401-E416 WeakPolarHBondContact CD1-OE2 3.38Å; F401-E416 VanDerWaalsContact N-CD 3.29Å; F401-E416 PolarHBondContact N-OE2 3.37Å
402	Y	29	Very low	28.5	Very low	132 Å²	132	99 Å²	99	52%	0.518	49%	0.491	S	S	.	.			trans	59.7	168.7	165.6	29.8	-95.7	0	0	0	116.2	E416	Y402-E416 WeakPolarHBondContact CE1-OE2 3.03Å; Y402-E416 PolarHBondContact OH-OE2 2.72Å; Y402-E416 VanDerWaalsContact OH-OE2 3.14Å
403	L	25.9	Very low	28.5	Very low	120 Å²	120	92 Å²	92	63%	0.628	46%	0.463	S	S	*	.			cis	-149.2	159	-40.8	-109.3	160.5	0	0	0	105.3	V413	L403-V413 HydrophobicContact CD2-CB 4.42Å; L403-V413 HydrophobicContact CD2-CG1 3.89Å; L403-V413 HydrophobicContact CD2-CG2 3.58Å; L403-V413 HydrophobicContact CG-CG1 3.82Å; L403-V413 HydrophobicContact CG-CG2 4.32Å
404	T	30.1	Very low	28.5	Very low	58 Å²	58	87.6 Å²	87.6	36%	0.356	45%	0.449	S	S	.	.			trans	-137.4	166.6	-177.5	45.8	0	0	0	0	110.2	V411 H412	T404-V411 WeakPolarHBondContact O-CG1 3.28Å; T404-V411 WeakPolarHBondContact OG1-CG1 3.5Å; T404-H412 WeakPolarHBondContact CG2-O 3.35Å; T404-H412 PolarHBondContact OG1-N 3.11Å; T404-H412 PolarHBondContact OG1-O 3.04Å; T404-H412 VanDerWaalsContact OG1-O 3.11Å
405	Y	25.7	Very low	28.5	Very low	216 Å²	216	85.7 Å²	85.7	85%	0.847	44%	0.44	S	S	*	.			trans	-150.8	157.4	159.9	-88.2	-79.6	0	0	0	110.3	V411	Y405-V411 HydrophobicContact CD1-CG1 4.21Å; Y405-V411 HydrophobicContact CG-CG1 4.37Å
406	S	36	Very low	29.1	Very low	55 Å²	55	84.5 Å²	84.5	39%	0.385	43%	0.432	S	S	.	.			trans	-143	160	-177.9	89.1	0	0	0	0	111.4	S409 G410	S406-S409 PolarHBondContact OG-N 3.37Å; S406-G410 WeakPolarHBondContact CB-O 3.13Å; S406-G410 PolarHBondContact OG-N 2.84Å; S406-G410 PolarHBondContact OG-O 3.14Å
407	A	25.4	Very low	29	Very low	106 Å²	106	86 Å²	86	88%	0.876	44%	0.439	S	S	*	.	S	Bend	trans	-101.7	-20.4	173.7	0	0	0	0	0	114.3
408	R	25.6	Very low	29.2	Very low	246 Å²	246	85.2 Å²	85.2	93%	0.928	44%	0.44	S	S	*	.	S	Bend	trans	-147.6	2.2	-173.1	-69.9	-165.3	177.7	-177.4	-0.5	117.4
409	S	26.9	Very low	29.2	Very low	36 Å²	36	82 Å²	82	25%	0.252	43%	0.428	S	S	.	.	S	Bend	trans	-152	-18.1	-166.1	48.3	0	0	0	0	119.5	S406 Q436 Y437 D438	S406-S409 PolarHBondContact OG-N 3.37Å; S409-Q436 CarbonylContact O-C 3.51Å; S409-Q436 VanDerWaalsContact O-C 3.29Å; S409-Y437 CarbonylContact C-O 3.4Å; S409-Y437 WeakPolarHBondContact CB-O 3.39Å; S409-Y437 WeakPolarHBondContact O-CA 3.35Å; S409-Y437 WeakPolarHBondContact O-CB 3.24Å; S409-Y437 PolarHBondContact O-N 3.37Å; S409-Y437 PolarHBondContact OG-O 3.35Å; S409-D438 PolarHBondContact OG-O 3.44Å
410	G	24.5	Very low	29.2	Very low	26 Å²	26	83.6 Å²	83.6	27%	0.268	43%	0.431	S	S	.	.			trans	143.8	156.2	169.3	0	0	0	0	0	115.9	S406 Q436	S406-G410 WeakPolarHBondContact CB-O 3.13Å; S406-G410 PolarHBondContact OG-N 2.84Å; S406-G410 PolarHBondContact OG-O 3.14Å; G410-Q436 WeakPolarHBondContact CA-O 3.42Å
411	V	27.5	Very low	29.1	Very low	41 Å²	41	86.7 Å²	86.7	25%	0.248	44%	0.435	C	S	.	.			trans	-141.3	97.3	-164.6	-178.7	0	0	0	0	113.3	T404 Y405	T404-V411 WeakPolarHBondContact O-CG1 3.28Å; T404-V411 WeakPolarHBondContact OG1-CG1 3.5Å; Y405-V411 HydrophobicContact CD1-CG1 4.21Å; Y405-V411 HydrophobicContact CG-CG1 4.37Å
412	H	28.4	Very low	29	Very low	59 Å²	59	92.7 Å²	92.7	27%	0.273	46%	0.461	S	S	.	.			trans	-133.2	140.8	-168.5	-57.6	-67.6	0	0	0	117.3	T404 T433 L434 F435 Q436	T404-H412 WeakPolarHBondContact CG2-O 3.35Å; T404-H412 PolarHBondContact OG1-N 3.11Å; T404-H412 PolarHBondContact OG1-O 3.04Å; T404-H412 VanDerWaalsContact OG1-O 3.11Å; H412-T433 HydrophobicContact CB-CG2 4.48Å; H412-T433 WeakPolarHBondContact ND1-CB 3.17Å; H412-T433 WeakPolarHBondContact ND1-CG2 3.2Å; H412-L434 PolarHBondContact CE1-O 3.28Å; H412-L434 PolarHBondContact ND1-O 3.28Å; H412-F435 PolarHBondContact CD2-O 2.87Å; H412-F435 PolarHBondContact CE1-O 2.76Å; H412-F435 VanDerWaalsContact CG-C 3.46Å; H412-F435 PolarHBondContact ND1-N 3.22Å; H412-F435 PolarHBondContact ND1-O 2.98Å; H412-F435 PolarHBondContact NE2-O 2.78Å; H412-Q436 PolarHBondContact CD2-N 3.4Å; H412-Q436 PolarHBondContact NE2-N 2.74Å
413	V	28.9	Very low	28.9	Very low	18 Å²	18	93.2 Å²	93.2	11%	0.109	47%	0.473	C	S	.	.			trans	-143.8	137.2	-152	-167.5	0	0	0	0	110.3	L403 E432 T433	L403-V413 HydrophobicContact CD2-CB 4.42Å; L403-V413 HydrophobicContact CD2-CG1 3.89Å; L403-V413 HydrophobicContact CD2-CG2 3.58Å; L403-V413 HydrophobicContact CG-CG1 3.82Å; L403-V413 HydrophobicContact CG-CG2 4.32Å; V413-E432 CarbonylContact O-C 3.5Å; V413-T433 WeakPolarHBondContact CA-OG1 3.37Å; V413-T433 WeakPolarHBondContact CB-OG1 3.44Å; V413-T433 WeakPolarHBondContact CG2-OG1 3.06Å; V413-T433 PolarHBondContact N-OG1 3.49Å; V413-T433 PolarHBondContact O-N 3.34Å; V413-T433 PolarHBondContact O-OG1 2.98Å
414	T	30.1	Very low	28.9	Very low	60 Å²	60	96.2 Å²	96.2	37%	0.368	48%	0.484	S	S	.	.			trans	-163.7	160.8	173.7	-28.8	0	0	0	0	115.3	F389 F401	F389-T414 HydrophobicContact CE1-CG2 4.11Å; F389-T414 HydrophobicContact CZ-CG2 3.85Å; F401-T414 WeakPolarHBondContact CA-O 3.3Å; F401-T414 VanDerWaalsContact CB-O 3.28Å; F401-T414 WeakPolarHBondContact CB-O 3.45Å
415	A	30.4	Very low	28.6	Very low	31 Å²	31	98.9 Å²	98.9	26%	0.256	51%	0.505	S	S	.	.			trans	-133.8	137	-159	0	0	0	0	0	122.3	F401	F401-A415 HydrophobicContact CB-CB 3.22Å; F401-A415 HydrophobicContact CD1-CB 3.85Å; F401-A415 HydrophobicContact CD2-CB 4.22Å; F401-A415 HydrophobicContact CG-CB 3.61Å
416	E	38.8	Very low	29	Very low	37 Å²	37	92 Å²	92	17%	0.173	49%	0.487	C	S	.	.				49	166.7	126.2	-60.5	-160.8	73	0	0	127.4	M398 K399 G400 F401 Y402	M398-E416 WeakPolarHBondContact CA-OE1 3.28Å; M398-E416 HydrophobicContact CB-CB 4.16Å; M398-E416 HydrophobicContact CB-CG 4.36Å; M398-E416 WeakPolarHBondContact CB-OE1 3.07Å; M398-E416 HydrophobicContact CG-CB 3.49Å; M398-E416 VanDerWaalsContact CG-CB 3.49Å; M398-E416 HydrophobicContact CG-CG 3.91Å; M398-E416 WeakPolarHBondContact CG-OE1 3.35Å; K399-E416 VanDerWaalsContact N-CG 3.34Å; K399-E416 PolarHBondContact N-OE1 3.46Å; G400-E416 WeakPolarHBondContact CA-OE1 3.37Å; G400-E416 WeakPolarHBondContact CA-OE2 3.45Å; G400-E416 PolarHBondContact N-OE1 2.89Å; G400-E416 WeakPolarHBondContact O-CG 3.42Å; F401-E416 HydrophobicContact CB-CG 3.93Å; F401-E416 HydrophobicContact CD1-CG 4.24Å; F401-E416 WeakPolarHBondContact CD1-OE2 3.38Å; F401-E416 VanDerWaalsContact N-CD 3.29Å; F401-E416 PolarHBondContact N-OE2 3.37Å; Y402-E416 WeakPolarHBondContact CE1-OE2 3.03Å; Y402-E416 PolarHBondContact OH-OE2 2.72Å; Y402-E416 VanDerWaalsContact OH-OE2 3.14Å
417	F	31.9	Very low	28.4	Very low	78 Å²	78	99 Å²	99	34%	0.342	51%	0.511	S	S	.	.			trans	104.2	111.7	160.2	-54.3	-85.5	0	0	0	122.7	Q396 F397 M398	Q396-F417 HydrophobicContact CB-CB 4.18Å; F397-F417 CarbonylContact O-C 3.05Å; F397-F417 WeakPolarHBondContact O-CA 3.43Å; F397-F417 PolarHBondContact O-N 2.81Å; M398-F417 HydrophobicContact CB-CD1 4.31Å; M398-F417 HydrophobicContact CB-CE1 4.28Å; M398-F417 HydrophobicContact CG-CD1 3.69Å; M398-F417 HydrophobicContact CG-CD2 4.3Å; M398-F417 HydrophobicContact CG-CE1 3.34Å; M398-F417 HydrophobicContact CG-CE2 3.96Å; M398-F417 HydrophobicContact CG-CG 4.17Å; M398-F417 HydrophobicContact CG-CZ 3.47Å; M398-F417 VanDerWaalsContact CG-CZ 3.47Å; M398-F417 HydrophobicContact SD-CE1 3.6Å; M398-F417 VanDerWaalsContact SD-CE1 3.6Å; M398-F417 HydrophobicContact SD-CE2 4.38Å; M398-F417 HydrophobicContact SD-CZ 3.5Å; M398-F417 WeakPolarHBondContact SD-CZ 3.12Å
418	D	33.2	Very low	28.4	Very low	111 Å²	111	101.4 Å²	101.4	59%	0.594	50%	0.502	S	S	*	.			trans	-175.6	104.4	-175.2	-168	13.5	0	0	0	117.4	F397	F397-D418 VanDerWaalsContact CB-O 3.28Å; F397-D418 WeakPolarHBondContact CB-O 3.42Å; F397-D418 PolarHBondContact N-O 2.72Å; F397-D418 PolarHBondContact O-N 2.9Å
419	S	30.6	Very low	28.3	Very low	35 Å²	35	97 Å²	97	25%	0.245	50%	0.496	C	S	.	.			trans	-166.5	-127.3	-166.8	78.2	0	0	0	0	124.5	D395 Q396 F397	D395-S419 VanDerWaalsContact C-OG 3.3Å; D395-S419 CarbonylContact O-C 3.58Å; D395-S419 VanDerWaalsContact O-CA 3.27Å; D395-S419 WeakPolarHBondContact O-CA 3.16Å; D395-S419 PolarHBondContact O-N 3.42Å; Q396-S419 WeakPolarHBondContact CA-OG 3.42Å; Q396-S419 PolarHBondContact N-OG 2.79Å; F397-S419 VanDerWaalsContact CB-CB 3.46Å; F397-S419 PolarHBondContact N-OG 3.2Å
420	Y	31.2	Very low	28.1	Very low	182 Å²	182	100.7 Å²	100.7	71%	0.714	52%	0.516	S	S	*	.			trans	-148.5	136.3	-150.9	-63.1	-90.9	0	0	0	115.6	F397	F397-Y420 AromaticContact CD2-CD2 3.87Å; F397-Y420 HydrophobicContact CD2-CD2 3.87Å; F397-Y420 HydrophobicContact CD2-CE2 4.01Å; F397-Y420 AromaticContact CE2-CD2 3.39Å; F397-Y420 HydrophobicContact CE2-CD2 3.39Å; F397-Y420 AromaticContact CE2-CE2 3.63Å; F397-Y420 HydrophobicContact CE2-CE2 3.63Å; F397-Y420 HydrophobicContact CZ-CD2 4.24Å
421	F	25.1	Very low	28.1	Very low	97 Å²	97	101.9 Å²	101.9	43%	0.425	52%	0.52	S	S	.	.			trans	-97.4	132.4	156.8	-84.8	-69.3	0	0	0	110.4	T394 D395	T394-F421 VanDerWaalsContact CB-CZ 3.41Å; T394-F421 WeakPolarHBondContact OG1-CE2 3.19Å; T394-F421 WeakPolarHBondContact OG1-CZ 3.06Å; D395-F421 HydrophobicContact CB-CD2 3.89Å; D395-F421 HydrophobicContact CB-CE2 4.45Å; D395-F421 HydrophobicContact CB-CG 4.49Å
422	F	24.9	Very low	27.9	Very low	202 Å²	202	105.7 Å²	105.7	89%	0.886	54%	0.536	S	S	*	.	S	Bend		-142	119.7	110.5	-84.8	-76.9	0	0	0	106.6
423	D	25.2	Very low	27.8	Very low	144 Å²	144	105 Å²	105	77%	0.77	54%	0.535	S	S	*	.	S	Bend	trans	65.3	123.7	175.2	-52	-32.5	0	0	0	119.5
424	E	26	Very low	27.6	Very low	182 Å²	182	109.2 Å²	109.2	85%	0.85	56%	0.557	S	S	*	*			trans	79.4	163.9	166.6	-51.8	-166.8	167.4	0	0	119.5
425	S	24.9	Very low	27.2	Very low	114 Å²	114	114.6 Å²	114.6	80%	0.797	58%	0.576	S	S	*	*			trans	-114.9	160	-130.8	66	0	0	0	0	118.1
426	P	34.1	Very low	27	Very low	72 Å²	72	119.1 Å²	119.1	47%	0.468	59%	0.591	S	S	.	*			trans	-115.5	151	-158	36	-22.4	0	0	0	116	T394	T394-P426 HydrophobicContact CG2-CB 4.48Å; T394-P426 HydrophobicContact CG2-CG 3.36Å
427	K	23.7	Very low	26.3	Very low	203 Å²	203	124.9 Å²	124.9	88%	0.883	61%	0.613	S	S	*	*			trans	-144.8	138.3	173.8	-66.3	-177.2	-178.8	171.3	0	112.6
428	F	23.9	Very low	25.9	Very low	156 Å²	156	126.4 Å²	126.4	68%	0.684	62%	0.624	S	S	*	*			trans	-78.3	161.2	-179.6	-67.3	-98.9	0	0	0	113.6
429	L	23.6	Very low	25.4	Very low	154 Å²	154	129.1 Å²	129.1	81%	0.806	64%	0.639	S	S	*	*				-157	155.2	122	-130.9	105.6	0	0	0	113
430	V	24.2	Very low	25.1	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.685	66%	0.662	S	S	*	*			trans	-97.7	150.3	-172.7	175.6	0	0	0	0	111.4	E432	V430-E432 HydrophobicContact CG1-CG 4.29Å
431	S	23.4	Very low	24.7	Very low	50 Å²	50	132.4 Å²	132.4	35%	0.35	67%	0.669	S	S	.	*			trans	-143.5	138.4	141.3	79.9	0	0	0	0	113.2
432	E	23.4	Very low	24.7	Very low	122 Å²	122	137.1 Å²	137.1	57%	0.57	69%	0.69	S	S	*	*			trans	-96.6	170.9	-179.3	-49.6	160.1	96	0	0	110.8	V413 V430 L434	V413-E432 CarbonylContact O-C 3.5Å; V430-E432 HydrophobicContact CG1-CG 4.29Å; E432-L434 HydrophobicContact CB-CD1 4.01Å; E432-L434 HydrophobicContact CB-CG 3.88Å
433	T	26.1	Very low	24.6	Very low	44 Å²	44	134.5 Å²	134.5	27%	0.27	69%	0.69	S	S	.	*			trans	-162.2	104.6	132.7	-10.1	0	0	0	0	109.6	H412 V413	H412-T433 HydrophobicContact CB-CG2 4.48Å; H412-T433 WeakPolarHBondContact ND1-CB 3.17Å; H412-T433 WeakPolarHBondContact ND1-CG2 3.2Å; V413-T433 WeakPolarHBondContact CA-OG1 3.37Å; V413-T433 WeakPolarHBondContact CB-OG1 3.44Å; V413-T433 WeakPolarHBondContact CG2-OG1 3.06Å; V413-T433 PolarHBondContact N-OG1 3.49Å; V413-T433 PolarHBondContact O-N 3.34Å; V413-T433 PolarHBondContact O-OG1 2.98Å
434	L	25.5	Very low	24.4	Very low	106 Å²	106	131.7 Å²	131.7	56%	0.555	69%	0.687	S	S	*	*				62.4	41.9	66.1	-55.3	173	0	0	0	115.8	H412 E432	H412-L434 PolarHBondContact CE1-O 3.28Å; H412-L434 PolarHBondContact ND1-O 3.28Å; E432-L434 HydrophobicContact CB-CD1 4.01Å; E432-L434 HydrophobicContact CB-CG 3.88Å
435	F	22.1	Very low	24.3	Very low	174 Å²	174	128.4 Å²	128.4	76%	0.763	68%	0.679	S	S	*	*			trans	63.9	126.9	163	-52.1	-97.3	0	0	0	119.9	H412	H412-F435 PolarHBondContact CD2-O 2.87Å; H412-F435 PolarHBondContact CE1-O 2.76Å; H412-F435 VanDerWaalsContact CG-C 3.46Å; H412-F435 PolarHBondContact ND1-N 3.22Å; H412-F435 PolarHBondContact ND1-O 2.98Å; H412-F435 PolarHBondContact NE2-O 2.78Å
436	Q	26.3	Very low	24.2	Very low	126 Å²	126	125.1 Å²	125.1	59%	0.589	66%	0.656	S	S	*	*				157.5	151.5	109.6	-159.6	153.4	5	0	0	117.6	S409 G410 H412	S409-Q436 CarbonylContact O-C 3.51Å; S409-Q436 VanDerWaalsContact O-C 3.29Å; G410-Q436 WeakPolarHBondContact CA-O 3.42Å; H412-Q436 PolarHBondContact CD2-N 3.4Å; H412-Q436 PolarHBondContact NE2-N 2.74Å
437	Y	23.6	Very low	23.8	Very low	158 Å²	158	126.1 Å²	126.1	62%	0.62	66%	0.657	S	S	*	*			trans	6.2	158	173.4	-69.9	-55.1	0	0	0	130.4	S409	S409-Y437 CarbonylContact C-O 3.4Å; S409-Y437 WeakPolarHBondContact CB-O 3.39Å; S409-Y437 WeakPolarHBondContact O-CA 3.35Å; S409-Y437 WeakPolarHBondContact O-CB 3.24Å; S409-Y437 PolarHBondContact O-N 3.37Å; S409-Y437 PolarHBondContact OG-O 3.35Å
438	D	22.8	Very low	23.9	Very low	109 Å²	109	121.3 Å²	121.3	58%	0.583	65%	0.645	S	S	*	*	S	Bend	trans	50.1	128.8	144.6	-56.6	-15.4	0	0	0	123.3	S409	S409-D438 PolarHBondContact OG-O 3.44Å
439	N	22.9	Very low	23.9	Very low	168 Å²	168	119.9 Å²	119.9	90%	0.898	64%	0.64	S	S	*	*			trans	80.3	15.8	171.4	-66.3	-32.6	0	0	0	119.9
440	A	25.3	Very low	24.1	Very low	90 Å²	90	116.8 Å²	116.8	74%	0.744	62%	0.621	S	S	*	*			trans	-92.2	120.1	172.9	0	0	0	0	0	114
441	K	22.1	Very low	24.1	Very low	196 Å²	196	118.6 Å²	118.6	85%	0.852	62%	0.624	S	S	*	*			trans	-102	121.1	168.8	-82.4	179.1	175.8	170.8	0	110.9
442	F	24.7	Very low	24.2	Very low	196 Å²	196	126 Å²	126	86%	0.86	64%	0.644	S	S	*	*			trans	-139.8	140.6	164.3	-72	-74.2	0	0	0	113.3
443	V	22.4	Very low	24.3	Very low	147 Å²	147	127.6 Å²	127.6	89%	0.891	65%	0.645	S	S	*	*			trans	-126.7	154.5	-173.8	179	0	0	0	0	109.2
444	A	22	Very low	24.4	Very low	85 Å²	85	130.2 Å²	130.2	70%	0.702	67%	0.666	S	S	*	*			trans	-118.8	-159.5	-149.1	0	0	0	0	0	116.6
445	V	24.1	Very low	24.5	Very low	114 Å²	114	130.4 Å²	130.4	69%	0.691	68%	0.676	S	S	*	*			trans	87.9	124.9	150.3	-106.8	0	0	0	0	124.3
446	S	21.3	Very low	24.7	Very low	44 Å²	44	126.5 Å²	126.5	31%	0.308	68%	0.676	S	S	.	*				125.5	130.8	105.1	57.6	0	0	0	0	120.2
447	N	26.4	Very low	24.7	Very low	93 Å²	93	131 Å²	131	50%	0.497	69%	0.689	S	S	.	*			trans	57.1	124	164.1	-69.3	-1.7	0	0	0	119.8	Y350	Y350-N447 HydrophobicContact CE1-CB 4.28Å
448	V	25.1	Very low	24.9	Very low	102 Å²	102	132.4 Å²	132.4	62%	0.618	70%	0.703	S	S	*	*			cis	84.7	77.3	33.1	-170.3	0	0	0	0	114.3	G353 M451	G353-V448 CarbonylContact O-C 3.52Å; G353-V448 WeakPolarHBondContact O-CA 3.27Å; G353-V448 PolarHBondContact O-N 3.41Å; V448-M451 HydrophobicContact CG1-CE 4.5Å
449	Q	24.9	Very low	24.9	Very low	127 Å²	127	133.5 Å²	133.5	59%	0.593	72%	0.718	S	S	*	*			trans	-147.8	-2.5	159.2	-127.5	-179.4	10.7	0	0	112.5	L352 G353	L352-Q449 CarbonylContact O-C 3.59Å; G353-Q449 VanDerWaalsContact CA-CA 3.47Å; G353-Q449 VanDerWaalsContact CA-N 3.29Å; G353-Q449 PolarHBondContact O-N 3.44Å
450	Q	26.8	Very low	25	Very low	88 Å²	88	134.1 Å²	134.1	41%	0.411	72%	0.718	S	S	.	*	G	3₁₀ helix	trans	-81.5	-16.5	-175.9	-149.5	157.1	100.3	0	0	114.6	L352 Y354 R452	L352-Q450 HydrophobicContact CB-CG 4.2Å; L352-Q450 WeakPolarHBondContact O-CA 3.35Å; L352-Q450 WeakPolarHBondContact O-CB 3.28Å; L352-Q450 WeakPolarHBondContact O-CG 3.18Å; L352-Q450 PolarHBondContact O-N 3.2Å; L352-Q450 VanDerWaalsContact O-N 3.13Å; L352-Q450 PolarHBondContact O-NE2 2.83Å; L352-Q450 VanDerWaalsContact O-NE2 3.12Å; Y354-Q450 HydrophobicContact CD2-CB 3.67Å; Y354-Q450 HydrophobicContact CD2-CG 4.09Å; Y354-Q450 HydrophobicContact CE2-CB 3.4Å; Y354-Q450 HydrophobicContact CE2-CG 3.81Å; Q450-R452 PolarHBondContact O-N 3.46Å
451	M	24.1	Very low	25.2	Very low	151 Å²	151	142.7 Å²	142.7	74%	0.744	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-73.4	-3.9	173.5	-76.4	-169.2	-90.3	0	0	113.6	V448	V448-M451 HydrophobicContact CG1-CE 4.5Å
452	R	25.2	Very low	25.3	Very low	205 Å²	205	140.1 Å²	140.1	77%	0.774	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-107.9	31.1	-170.8	-73.3	-170.4	175	166.4	1.8	115.3	Q450	Q450-R452 PolarHBondContact O-N 3.46Å
453	R	26.9	Very low	25.3	Very low	156 Å²	156	137.1 Å²	137.1	59%	0.589	73%	0.731	S	S	*	*	S	Bend	trans	-129.7	3.4	171.2	-76.7	-163.7	175.4	-152.4	-4.4	116.5	T319	T319-R453 VanDerWaalsContact C-NH1 3.3Å; T319-R453 PolarHBondContact O-NH1 3.07Å; T319-R453 VanDerWaalsContact O-NH1 3.14Å; T319-R453 PolarHBondContact O-NH2 3.47Å
454	S	27.3	Very low	25.5	Very low	100 Å²	100	136.6 Å²	136.6	70%	0.699	72%	0.722	S	S	*	*	S	Bend	trans	-131.2	55.1	-174.3	55.5	0	0	0	0	111.7
455	S	28	Very low	25.7	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	72%	0.723	S	S	*	*			trans	-178.1	59.6	170.1	42.6	0	0	0	0	112.7
456	A	25.7	Very low	25.8	Very low	92 Å²	92	141.2 Å²	141.2	76%	0.76	73%	0.725	S	S	*	*	S	Bend	trans	-121.9	-8.1	171	0	0	0	0	0	114.1
457	Y	27	Very low	26.1	Very low	219 Å²	219	147.7 Å²	147.7	86%	0.859	75%	0.753	S	S	*	*	S	Bend	trans	-143	97.3	174.9	-77.4	-88.4	0	0	0	108.4
458	M	27.8	Very low	26.1	Very low	188 Å²	188	151.6 Å²	151.6	93%	0.926	77%	0.771	S	S	*	*			trans	179.7	-5.4	160.6	-104.8	174.5	-149.8	0	0	112.9	M460	M458-M460 VanDerWaalsContact C-N 3.26Å; M458-M460 PolarHBondContact O-N 2.98Å; M458-M460 VanDerWaalsContact O-N 3.07Å
459	C	23.9	Very low	26.2	Very low	132 Å²	132	155.4 Å²	155.4	89%	0.892	78%	0.783	S	S	*	*			trans	-75.3	82.5	154	-63	0	0	0	0	109.1
460	M	24.8	Very low	26.3	Very low	182 Å²	182	157.8 Å²	157.8	90%	0.897	80%	0.798	S	S	*	*			trans	172.6	68.6	153.3	-97.5	-166.3	-64.4	0	0	110.9	M458	M458-M460 VanDerWaalsContact C-N 3.26Å; M458-M460 PolarHBondContact O-N 2.98Å; M458-M460 VanDerWaalsContact O-N 3.07Å
461	Q	27.7	Very low	26.2	Very low	270 Å²	270	164.1 Å²	164.1	100%	1.262	83%	0.834	S	S	*	*			trans	-175.4	0	136.1	-103.1	175.2	-1.9	0	0	109.4

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