G4VN30_SCHMA Loading...

Gnk2-homologous domain-containing protein

AlphaFold DB , UniProt , Accession G4VN30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 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	31.3	Very low	27.4	Very low	232 Å²	232	148.4 Å²	148.4	100%	1.143	78%	0.783	S	S	*	*				0	95.5	0	-164.4	166	87.9	0	0	107.4
2	M	23.9	Very low	27.5	Very low	183 Å²	183	146.2 Å²	146.2	90%	0.901	79%	0.789	S	S	*	*			trans	-97.9	100.4	-176.4	-165.7	172.7	-176.1	0	0	107.5	L4	M2-L4 PolarHBondContact O-N 3.29Å
3	L	22	Very low	27.8	Very low	142 Å²	142	143.7 Å²	143.7	74%	0.743	79%	0.79	S	S	*	*			trans	-77.2	105.7	-179.9	-156	80.9	0	0	0	108.4
4	L	23.9	Very low	27.8	Very low	138 Å²	138	143 Å²	143	72%	0.723	79%	0.785	S	S	*	*			trans	-77.5	113.7	166.8	-81.1	159.5	0	0	0	108.1	M2 F6	M2-L4 PolarHBondContact O-N 3.29Å; L4-F6 HydrophobicContact CB-CD2 4.35Å; L4-F6 HydrophobicContact CB-CE2 4.48Å; L4-F6 PolarHBondContact O-N 2.82Å
5	L	27.4	Very low	27.9	Very low	151 Å²	151	144.1 Å²	144.1	79%	0.791	79%	0.789	S	S	*	*			trans	-81.4	99.5	165.7	-73.4	170.9	0	0	0	108.5
6	F	25.3	Very low	27.9	Very low	156 Å²	156	141.8 Å²	141.8	68%	0.684	78%	0.78	S	S	*	*			trans	-76.8	120.6	159.2	-88.7	-96.2	0	0	0	108.2	L4 D8	L4-F6 HydrophobicContact CB-CD2 4.35Å; L4-F6 HydrophobicContact CB-CE2 4.48Å; L4-F6 PolarHBondContact O-N 2.82Å; F6-D8 WeakPolarHBondContact CD1-OD2 3.12Å
7	I	33.4	Very low	27.9	Very low	158 Å²	158	143.7 Å²	143.7	81%	0.81	79%	0.789	S	S	*	*			trans	-115.3	86.4	157.7	-56.2	177.9	0	0	0	105
8	D	25.8	Very low	28	Very low	120 Å²	120	143.9 Å²	143.9	64%	0.642	78%	0.784	S	S	*	*			trans	-99.7	148	160.8	-81.8	-34.9	0	0	0	108	F6	F6-D8 WeakPolarHBondContact CD1-OD2 3.12Å
9	S	29.9	Very low	28.2	Very low	87 Å²	87	142.7 Å²	142.7	61%	0.608	78%	0.782	S	S	*	*			trans	84.8	139.6	170.8	-24.8	0	0	0	0	114
10	F	31.9	Very low	28.4	Very low	196 Å²	196	141.6 Å²	141.6	86%	0.86	77%	0.773	S	S	*	*			cis	-147.1	149.6	14.5	-81.6	-84.4	0	0	0	105.8
11	G	27.3	Very low	28.5	Very low	69 Å²	69	141.9 Å²	141.9	71%	0.711	77%	0.769	S	S	*	*				80.7	93.2	68.2	0	0	0	0	0	109.5
12	S	28.4	Very low	28.5	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	75%	0.745	S	S	*	*			trans	9.5	117	155.3	-169.1	0	0	0	0	117.7
13	S	31	Very low	28.7	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	73%	0.731	S	S	*	*			trans	-165.9	130.5	147.6	-176.9	0	0	0	0	110
14	D	27.8	Very low	29.2	Very low	134 Å²	134	130.9 Å²	130.9	72%	0.717	74%	0.735	S	S	*	*			trans	-61	150.6	179.1	-55.8	-57.7	0	0	0	113
15	N	28.9	Very low	29.3	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	73%	0.725	S	S	*	*			trans	54.4	78.5	159.2	-65.4	-27	0	0	0	118.1
16	V	29	Very low	29.4	Very low	106 Å²	106	124.1 Å²	124.1	64%	0.642	72%	0.723	S	S	*	*			trans	-143.3	123.9	149.4	-166.5	0	0	0	0	110.7	E18	V16-E18 HydrophobicContact CB-CB 4.44Å; V16-E18 HydrophobicContact CG1-CB 3.94Å; V16-E18 HydrophobicContact CG1-CG 3.61Å; V16-E18 PolarHBondContact O-N 2.79Å
17	N	28.1	Very low	29.5	Very low	175 Å²	175	124.5 Å²	124.5	94%	0.936	73%	0.731	S	S	*	*			trans	-74.7	65.3	173.1	-147.6	23	0	0	0	108.9
18	E	29.4	Very low	29.3	Very low	148 Å²	148	128.5 Å²	128.5	69%	0.692	74%	0.736	S	S	*	*			trans	-103	110.1	-172.1	-111	174	-162.5	0	0	111.8	V16 I20	V16-E18 HydrophobicContact CB-CB 4.44Å; V16-E18 HydrophobicContact CG1-CB 3.94Å; V16-E18 HydrophobicContact CG1-CG 3.61Å; V16-E18 PolarHBondContact O-N 2.79Å; E18-I20 PolarHBondContact O-N 3.13Å; E18-I20 VanDerWaalsContact O-N 3.13Å
19	T	30.6	Very low	29.5	Very low	121 Å²	121	128 Å²	128	74%	0.742	74%	0.74	S	S	*	*			trans	-61.6	104.7	167.1	-18	0	0	0	0	108.8	E21	T19-E21 PolarHBondContact O-N 3.48Å
20	I	33.6	Very low	29.5	Very low	119 Å²	119	131.8 Å²	131.8	61%	0.61	75%	0.752	S	S	*	*			trans	-80.7	99.3	174.4	-59.7	175.7	0	0	0	108.3	E18 A22	E18-I20 PolarHBondContact O-N 3.13Å; E18-I20 VanDerWaalsContact O-N 3.13Å; I20-A22 PolarHBondContact O-N 3.21Å; I20-A22 VanDerWaalsContact O-N 3.16Å
21	E	28.8	Very low	29.6	Very low	148 Å²	148	129.2 Å²	129.2	69%	0.692	75%	0.747	S	S	*	*			trans	-71.1	99.8	166.1	-77.1	-165.8	153.7	0	0	110	T19 S23	T19-E21 PolarHBondContact O-N 3.48Å; E21-S23 PolarHBondContact O-N 2.73Å; E21-S23 VanDerWaalsContact O-N 3.15Å
22	A	31.8	Very low	30.2	Very low	78 Å²	78	131.3 Å²	131.3	65%	0.645	76%	0.758	S	S	*	*			trans	-78.2	92.5	166.1	0	0	0	0	0	109.5	I20 I24	I20-A22 PolarHBondContact O-N 3.21Å; I20-A22 VanDerWaalsContact O-N 3.16Å; A22-I24 PolarHBondContact O-N 2.84Å
23	S	28.3	Very low	31.1	Very low	84 Å²	84	129 Å²	129	59%	0.587	74%	0.742	S	S	*	*			trans	-76.4	106.2	173.8	-171.6	0	0	0	0	110.8	E21 C25	E21-S23 PolarHBondContact O-N 2.73Å; E21-S23 VanDerWaalsContact O-N 3.15Å; S23-C25 VanDerWaalsContact C-N 3.29Å; S23-C25 PolarHBondContact O-N 3.13Å
24	I	33.3	Very low	31.3	Very low	164 Å²	164	127.1 Å²	127.1	84%	0.841	74%	0.74	S	S	*	*			trans	-88.5	70	169.1	-52.3	176	0	0	0	108	A22	A22-I24 PolarHBondContact O-N 2.84Å
25	C	26.4	Very low	31.7	Very low	75 Å²	75	128.6 Å²	128.6	51%	0.507	74%	0.743	S	S	.	*			trans	-137	63.4	171.8	-84.3	0	0	0	0	109.7	S23 L27	S23-C25 VanDerWaalsContact C-N 3.29Å; S23-C25 PolarHBondContact O-N 3.13Å; C25-L27 PolarHBondContact O-N 3.14Å
26	G	28.3	Very low	31.8	Very low	73 Å²	73	126.3 Å²	126.3	75%	0.753	74%	0.739	S	S	*	*			trans	-81.6	91.1	172.6	0	0	0	0	0	111.2
27	L	28.5	Very low	31.9	Very low	163 Å²	163	125.1 Å²	125.1	85%	0.853	74%	0.735	S	S	*	*	S	Bend	trans	55.3	101.7	152	-65.5	148.4	0	0	0	116.3	C25	C25-L27 PolarHBondContact O-N 3.14Å
28	W	27.8	Very low	32.1	Very low	243 Å²	243	121.8 Å²	121.8	92%	0.92	73%	0.725	S	S	*	*			trans	-175.7	144.5	136.6	-103.8	46.9	0	0	0	108.4	L30	W28-L30 PolarHBondContact O-N 3.43Å
29	P	29.9	Very low	32.4	Very low	109 Å²	109	120.8 Å²	120.8	71%	0.708	72%	0.72	S	S	*	*	S	Bend	trans	-74.3	128.1	-178.5	31.2	-30.1	0	0	0	109.4
30	L	30.4	Very low	32.7	Very low	166 Å²	166	120.2 Å²	120.2	87%	0.869	72%	0.716	S	S	*	*			trans	42.3	97.7	161.2	-65.3	163.2	0	0	0	115.8	W28 A32	W28-L30 PolarHBondContact O-N 3.43Å; L30-A32 PolarHBondContact O-N 2.02Å
31	N	34.4	Very low	32.8	Very low	142 Å²	142	119.1 Å²	119.1	76%	0.759	72%	0.715	S	S	*	*			trans	-63.8	136.1	161.6	-135	-1.3	0	0	0	108.6	S33 G34	N31-S33 PolarHBondContact O-N 2.95Å; N31-G34 PolarHBondContact O-N 3.45Å
32	A	39.3	Very low	33.4	Very low	113 Å²	113	114.6 Å²	114.6	93%	0.934	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	12.8	-172.6	0	0	0	0	0	115.6	L30	L30-A32 PolarHBondContact O-N 2.02Å
33	S	46.7	Very low	34.1	Very low	75 Å²	75	113.5 Å²	113.5	52%	0.524	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.2	0.4	179.8	59.5	0	0	0	0	114.7	N31 Q35	N31-S33 PolarHBondContact O-N 2.95Å; S33-Q35 PolarHBondContact O-N 3.19Å; S33-Q35 VanDerWaalsContact O-N 3.11Å
34	G	35.5	Very low	35	Very low	73 Å²	73	116 Å²	116	75%	0.753	68%	0.684	S	S	*	*			trans	61.9	21.3	172.8	0	0	0	0	0	115.5	N31	N31-G34 PolarHBondContact O-N 3.45Å
35	Q	36.4	Very low	35.7	Very low	166 Å²	166	113.9 Å²	113.9	78%	0.776	67%	0.674	S	S	*	*			trans	-84.1	119.6	-179	-82.1	178.7	-25.7	0	0	112.1	S33	S33-Q35 PolarHBondContact O-N 3.19Å; S33-Q35 VanDerWaalsContact O-N 3.11Å
36	S	32.2	Very low	36.9	Very low	112 Å²	112	114.7 Å²	114.7	78%	0.783	67%	0.67	S	S	*	*			trans	-58	132.9	169.9	170	0	0	0	0	111.2	S38	S36-S38 PolarHBondContact O-N 3.23Å
37	C	29.8	Very low	38.2	Very low	80 Å²	80	113.4 Å²	113.4	54%	0.541	65%	0.646	S	S	.	*			trans	-70.5	111	171.7	-69.6	0	0	0	0	109.2	H39	C37-H39 PolarHBondContact O-N 3.23Å
38	S	33.2	Very low	39.4	Very low	105 Å²	105	110.1 Å²	110.1	73%	0.734	63%	0.626	S	S	*	*			trans	-72	110.3	171.1	-178.7	0	0	0	0	109.2	S36 T40	S36-S38 PolarHBondContact O-N 3.23Å; S38-T40 PolarHBondContact O-N 3.11Å; S38-T40 VanDerWaalsContact O-N 3.16Å
39	H	35.4	Very low	40.7	Very low	128 Å²	128	99.9 Å²	99.9	59%	0.593	59%	0.594	S	S	*	*			trans	-66.3	108.6	170.6	-73.8	-113.4	0	0	0	108.6	C37 V41	C37-H39 PolarHBondContact O-N 3.23Å; H39-V41 PolarHBondContact O-N 3.48Å
40	T	36.3	Very low	42.1	Very low	108 Å²	108	100.1 Å²	100.1	66%	0.663	58%	0.584	S	S	*	*			trans	-88.3	97.1	167.5	-49.5	0	0	0	0	107.6	S38 L42	S38-T40 PolarHBondContact O-N 3.11Å; S38-T40 VanDerWaalsContact O-N 3.16Å; T40-L42 HydrophobicContact CG2-CD2 4.3Å; T40-L42 PolarHBondContact O-N 2.73Å
41	V	36.2	Very low	43.6	Very low	97 Å²	97	97.3 Å²	97.3	59%	0.588	57%	0.569	S	S	*	*			trans	-70.8	109.3	170.2	-179.1	0	0	0	0	107.2	H39	H39-V41 PolarHBondContact O-N 3.48Å
42	L	40.8	Very low	44.7	Very low	52 Å²	52	92.5 Å²	92.5	27%	0.272	55%	0.545	S	S	.	.			trans	-82.3	137.2	173.5	-64.9	167.4	0	0	0	108.9	T40 E46 I47 K50	T40-L42 HydrophobicContact CG2-CD2 4.3Å; T40-L42 PolarHBondContact O-N 2.73Å; L42-E46 WeakPolarHBondContact CA-OE2 3.49Å; L42-E46 HydrophobicContact CB-CB 4.19Å; L42-E46 HydrophobicContact CD2-CB 4.29Å; L42-E46 WeakPolarHBondContact CD2-OE2 3.3Å; L42-I47 HydrophobicContact CB-CG1 4.1Å; L42-K50 HydrophobicContact CD1-CD 4.2Å
43	S	46.5	Very low	45.6	Very low	56 Å²	56	89.5 Å²	89.5	39%	0.392	51%	0.513	S	S	.	.			trans	-68.6	158	172.9	74.2	0	0	0	0	110.8	D45 E46 I47	S43-D45 PolarHBondContact O-N 3.46Å; S43-E46 PolarHBondContact N-OE2 3.21Å; S43-E46 WeakPolarHBondContact O-CB 2.96Å; S43-E46 PolarHBondContact O-N 2.9Å; S43-E46 WeakPolarHBondContact OG-CG 3.29Å; S43-E46 PolarHBondContact OG-N 3.28Å; S43-I47 PolarHBondContact O-N 3.47Å
44	F	47.6	Very low	46.2	Very low	136 Å²	136	90.5 Å²	90.5	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-53.8	-38.7	174.4	-178.3	-100.2	0	0	0	111.9	E46 I47 Q48	F44-E46 VanDerWaalsContact C-N 3.34Å; F44-E46 PolarHBondContact O-N 2.93Å; F44-I47 PolarHBondContact O-N 2.82Å; F44-Q48 HydrophobicContact CD1-CG 4.23Å; F44-Q48 HydrophobicContact CE1-CG 3.93Å; F44-Q48 HydrophobicContact CZ-CG 4.19Å; F44-Q48 WeakPolarHBondContact O-CG 3.48Å; F44-Q48 PolarHBondContact O-N 3Å
45	D	49.2	Very low	47.4	Very low	119 Å²	119	95.5 Å²	95.5	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-38.8	175.4	-64.1	-32	0	0	0	112.4	S43 A49	S43-D45 PolarHBondContact O-N 3.46Å; D45-A49 VanDerWaalsContact O-CB 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.41Å
46	E	51	Low	48.3	Very low	92 Å²	92	88.1 Å²	88.1	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-37.5	176.3	-73.3	179.4	145.7	0	0	112.5	L42 S43 F44 A49 K50	L42-E46 WeakPolarHBondContact CA-OE2 3.49Å; L42-E46 HydrophobicContact CB-CB 4.19Å; L42-E46 HydrophobicContact CD2-CB 4.29Å; L42-E46 WeakPolarHBondContact CD2-OE2 3.3Å; S43-E46 PolarHBondContact N-OE2 3.21Å; S43-E46 WeakPolarHBondContact O-CB 2.96Å; S43-E46 PolarHBondContact O-N 2.9Å; S43-E46 WeakPolarHBondContact OG-CG 3.29Å; S43-E46 PolarHBondContact OG-N 3.28Å; F44-E46 VanDerWaalsContact C-N 3.34Å; F44-E46 PolarHBondContact O-N 2.93Å; E46-A49 PolarHBondContact O-N 3.45Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.1Å; E46-K50 PolarHBondContact O-N 3.22Å
47	I	54.5	Low	49.5	Very low	47 Å²	47	88.1 Å²	88.1	24%	0.241	46%	0.459	C	S	.	.	H	α-helix	trans	-65	-46.5	174.8	-64.5	172.9	0	0	0	109.9	L42 S43 F44 A49 K50 N51	L42-I47 HydrophobicContact CB-CG1 4.1Å; S43-I47 PolarHBondContact O-N 3.47Å; F44-I47 PolarHBondContact O-N 2.82Å; I47-A49 PolarHBondContact O-N 3.23Å; I47-K50 PolarHBondContact O-N 3.29Å; I47-N51 PolarHBondContact O-N 3.12Å
48	Q	55.2	Low	50.9	Low	93 Å²	93	91.1 Å²	91.1	44%	0.435	46%	0.458	S	S	.	.	H	α-helix	trans	-60.9	-45.5	176.1	-72.2	-142.8	-6.6	0	0	111.8	F44 K50 N51 V52	F44-Q48 HydrophobicContact CD1-CG 4.23Å; F44-Q48 HydrophobicContact CE1-CG 3.93Å; F44-Q48 HydrophobicContact CZ-CG 4.19Å; F44-Q48 WeakPolarHBondContact O-CG 3.48Å; F44-Q48 PolarHBondContact O-N 3Å; Q48-K50 VanDerWaalsContact C-N 3.35Å; Q48-K50 PolarHBondContact O-N 3.32Å; Q48-N51 PolarHBondContact O-N 2.91Å; Q48-V52 VanDerWaalsContact O-CG2 3.27Å; Q48-V52 WeakPolarHBondContact O-CG2 3.4Å; Q48-V52 PolarHBondContact O-N 3.06Å
49	A	54.1	Low	51.8	Low	29 Å²	29	89.8 Å²	89.8	24%	0.24	44%	0.441	C	S	.	.	H	α-helix	trans	-60.1	-43.1	176.7	0	0	0	0	0	112	D45 E46 I47 V52 I53	D45-A49 VanDerWaalsContact O-CB 3.31Å; D45-A49 WeakPolarHBondContact O-CB 3.45Å; D45-A49 PolarHBondContact O-N 3.41Å; E46-A49 PolarHBondContact O-N 3.45Å; I47-A49 PolarHBondContact O-N 3.23Å; A49-V52 PolarHBondContact O-N 2.79Å; A49-I53 WeakPolarHBondContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 2.75Å
50	K	59.7	Low	52.4	Low	114 Å²	114	84.6 Å²	84.6	50%	0.496	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-41.7	176.6	-79.2	178.5	177	178.3	0	112.4	L42 E46 I47 Q48 I53 H54	L42-K50 HydrophobicContact CD1-CD 4.2Å; E46-K50 WeakPolarHBondContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.1Å; E46-K50 PolarHBondContact O-N 3.22Å; I47-K50 PolarHBondContact O-N 3.29Å; Q48-K50 VanDerWaalsContact C-N 3.35Å; Q48-K50 PolarHBondContact O-N 3.32Å; K50-I53 PolarHBondContact O-N 2.95Å; K50-H54 WeakPolarHBondContact O-CB 3.39Å; K50-H54 PolarHBondContact O-N 2.87Å
51	N	61	Low	52.9	Low	106 Å²	106	84.4 Å²	84.4	57%	0.567	41%	0.409	S	S	*	.	H	α-helix	trans	-65.5	-41.8	176.9	-77.6	-19.3	0	0	0	112.2	I47 Q48 H54 R55	I47-N51 PolarHBondContact O-N 3.12Å; Q48-N51 PolarHBondContact O-N 2.91Å; N51-H54 PolarHBondContact O-N 3.03Å; N51-R55 WeakPolarHBondContact O-CB 2.81Å; N51-R55 PolarHBondContact O-N 3.23Å
52	V	58.3	Low	53.2	Low	42 Å²	42	85.5 Å²	85.5	26%	0.255	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-45.4	175.1	172	0	0	0	0	110.7	Q48 A49 H54 R55 A56 I219	Q48-V52 VanDerWaalsContact O-CG2 3.27Å; Q48-V52 WeakPolarHBondContact O-CG2 3.4Å; Q48-V52 PolarHBondContact O-N 3.06Å; A49-V52 PolarHBondContact O-N 2.79Å; V52-H54 PolarHBondContact O-N 3.49Å; V52-R55 PolarHBondContact O-N 2.86Å; V52-A56 VanDerWaalsContact O-CB 3.29Å; V52-A56 WeakPolarHBondContact O-CB 3.31Å; V52-A56 PolarHBondContact O-N 2.86Å; V52-I219 HydrophobicContact CG1-CD1 3.51Å; V52-I219 HydrophobicContact CG1-CG1 4.18Å
53	I	58.1	Low	53.2	Low	49 Å²	49	87.8 Å²	87.8	25%	0.251	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-43.8	174.9	-67.6	163.9	0	0	0	110.9	A49 K50 A56 K57 I204 L206	A49-I53 WeakPolarHBondContact O-CD1 3.31Å; A49-I53 WeakPolarHBondContact O-CG1 3.48Å; A49-I53 PolarHBondContact O-N 2.75Å; K50-I53 PolarHBondContact O-N 2.95Å; I53-A56 PolarHBondContact O-N 2.96Å; I53-K57 HydrophobicContact CG2-CD 4.33Å; I53-K57 HydrophobicContact CG2-CG 4.49Å; I53-K57 WeakPolarHBondContact O-CB 3.35Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.32Å; I53-I204 HydrophobicContact CG2-CD1 4.23Å; I53-L206 HydrophobicContact CD1-CD1 3.94Å; I53-L206 HydrophobicContact CG1-CD1 4.24Å
54	H	59.6	Low	52.8	Low	96 Å²	96	88.8 Å²	88.8	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-44.1	179.5	-169.2	-27.1	0	0	0	111.1	K50 N51 V52 K57 R58	K50-H54 WeakPolarHBondContact O-CB 3.39Å; K50-H54 PolarHBondContact O-N 2.87Å; N51-H54 PolarHBondContact O-N 3.03Å; V52-H54 PolarHBondContact O-N 3.49Å; H54-K57 PolarHBondContact O-N 2.94Å; H54-R58 PolarHBondContact CE1-NE 3.39Å; H54-R58 PolarHBondContact CE1-NH2 3.49Å; H54-R58 VanDerWaalsContact CE1-NH2 3.25Å; H54-R58 PolarHBondContact ND1-NE 2.87Å; H54-R58 PolarHBondContact NE2-NH2 2.91Å; H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 2.79Å
55	R	60.8	Low	52.6	Low	178 Å²	178	89.6 Å²	89.6	67%	0.672	41%	0.413	S	S	*	.	H	α-helix	trans	-61.8	-45.7	175.3	-177.8	179.8	-93.8	-178.9	-5.3	110.6	N51 V52 K57 R58 E59	N51-R55 WeakPolarHBondContact O-CB 2.81Å; N51-R55 PolarHBondContact O-N 3.23Å; V52-R55 PolarHBondContact O-N 2.86Å; R55-K57 VanDerWaalsContact C-N 3.32Å; R55-K57 PolarHBondContact O-N 2.76Å; R55-R58 WeakPolarHBondContact O-CB 3.29Å; R55-R58 PolarHBondContact O-N 3.33Å; R55-R58 VanDerWaalsContact O-N 3.12Å; R55-E59 HydrophobicContact CG-CG 4.35Å; R55-E59 WeakPolarHBondContact O-CG 3.47Å; R55-E59 PolarHBondContact O-N 3.35Å
56	A	55.2	Low	52	Low	12 Å²	12	87.6 Å²	87.6	10%	0.099	41%	0.405	C	S	.	.	H	α-helix	trans	-59.8	-41.3	176.9	0	0	0	0	0	112.7	V52 I53 E59 T60 I219	V52-A56 VanDerWaalsContact O-CB 3.29Å; V52-A56 WeakPolarHBondContact O-CB 3.31Å; V52-A56 PolarHBondContact O-N 2.86Å; I53-A56 PolarHBondContact O-N 2.96Å; A56-E59 PolarHBondContact O-N 2.94Å; A56-T60 WeakPolarHBondContact O-CB 3.48Å; A56-T60 WeakPolarHBondContact O-CG2 3.21Å; A56-T60 PolarHBondContact O-N 3.15Å; A56-T60 PolarHBondContact O-OG1 3.04Å; A56-I219 HydrophobicContact CB-CD1 3.37Å; A56-I219 HydrophobicContact CB-CG2 4.21Å
57	K	57.1	Low	51.7	Low	112 Å²	112	87 Å²	87	49%	0.487	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-48.4	172.8	-78.5	-179.1	177.8	-176.6	0	111.3	I53 H54 R55 E59 T60 E61 I204	I53-K57 HydrophobicContact CG2-CD 4.33Å; I53-K57 HydrophobicContact CG2-CG 4.49Å; I53-K57 WeakPolarHBondContact O-CB 3.35Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.32Å; H54-K57 PolarHBondContact O-N 2.94Å; R55-K57 VanDerWaalsContact C-N 3.32Å; R55-K57 PolarHBondContact O-N 2.76Å; K57-E59 PolarHBondContact O-N 3.38Å; K57-T60 VanDerWaalsContact CA-OG1 3.31Å; K57-T60 WeakPolarHBondContact CA-OG1 3.41Å; K57-T60 PolarHBondContact O-N 3.4Å; K57-T60 PolarHBondContact O-OG1 2.98Å; K57-E61 WeakPolarHBondContact O-CB 3.48Å; K57-E61 WeakPolarHBondContact O-CG 3.48Å; K57-E61 PolarHBondContact O-N 3.27Å; K57-I204 HydrophobicContact CG-CD1 4.21Å
58	R	58.1	Low	51	Low	142 Å²	142	88.9 Å²	88.9	54%	0.536	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-43	176.3	-68.4	-176.8	-150.3	-168.6	0.7	112	H54 R55 E61 K62	H54-R58 PolarHBondContact CE1-NE 3.39Å; H54-R58 PolarHBondContact CE1-NH2 3.49Å; H54-R58 VanDerWaalsContact CE1-NH2 3.25Å; H54-R58 PolarHBondContact ND1-NE 2.87Å; H54-R58 PolarHBondContact NE2-NH2 2.91Å; H54-R58 WeakPolarHBondContact O-CG 3.42Å; H54-R58 PolarHBondContact O-N 2.79Å; R55-R58 WeakPolarHBondContact O-CB 3.29Å; R55-R58 PolarHBondContact O-N 3.33Å; R55-R58 VanDerWaalsContact O-N 3.12Å; R58-E61 PolarHBondContact O-N 3.46Å; R58-K62 WeakPolarHBondContact O-CG 3.37Å; R58-K62 PolarHBondContact O-N 3.23Å
59	E	53.2	Low	50.3	Low	78 Å²	78	87.7 Å²	87.7	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-40.1	178.9	-68.8	-53.3	134.4	0	0	111.7	R55 A56 K57 E61 K62 I63	R55-E59 HydrophobicContact CG-CG 4.35Å; R55-E59 WeakPolarHBondContact O-CG 3.47Å; R55-E59 PolarHBondContact O-N 3.35Å; A56-E59 PolarHBondContact O-N 2.94Å; K57-E59 PolarHBondContact O-N 3.38Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.21Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 2.74Å; E59-K62 PolarHBondContact OE1-NZ 2.92Å; E59-K62 IonicContact OE2-NZ 3.16Å; E59-I63 WeakPolarHBondContact O-CD1 3.44Å; E59-I63 VanDerWaalsContact O-CG1 3.24Å; E59-I63 WeakPolarHBondContact O-CG1 3.19Å; E59-I63 PolarHBondContact O-N 3.26Å
60	T	47.5	Very low	49.3	Very low	18 Å²	18	90.7 Å²	90.7	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-61.1	-43.9	171.1	46.9	0	0	0	0	111.7	A56 K57 K62 I63 Y64 I221	A56-T60 WeakPolarHBondContact O-CB 3.48Å; A56-T60 WeakPolarHBondContact O-CG2 3.21Å; A56-T60 PolarHBondContact O-N 3.15Å; A56-T60 PolarHBondContact O-OG1 3.04Å; K57-T60 VanDerWaalsContact CA-OG1 3.31Å; K57-T60 WeakPolarHBondContact CA-OG1 3.41Å; K57-T60 PolarHBondContact O-N 3.4Å; K57-T60 PolarHBondContact O-OG1 2.98Å; T60-K62 VanDerWaalsContact C-N 3.26Å; T60-K62 PolarHBondContact O-N 3.39Å; T60-I63 PolarHBondContact O-N 2.94Å; T60-I63 VanDerWaalsContact O-N 3.15Å; T60-Y64 VanDerWaalsContact C-CD2 3.42Å; T60-Y64 WeakPolarHBondContact O-CD2 3.43Å; T60-Y64 WeakPolarHBondContact O-CE2 3.09Å; T60-Y64 VanDerWaalsContact O-CG 3.29Å; T60-Y64 PolarHBondContact O-N 3.3Å; T60-I221 HydrophobicContact CG2-CD1 3.24Å; T60-I221 HydrophobicContact CG2-CG1 3.77Å; T60-I221 HydrophobicContact CG2-CG2 4.33Å
61	E	47.7	Very low	48.1	Very low	104 Å²	104	86.5 Å²	86.5	49%	0.486	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-34.2	174.6	-76.4	174.2	-175.3	0	0	112.6	K57 R58 E59 R65	K57-E61 WeakPolarHBondContact O-CB 3.48Å; K57-E61 WeakPolarHBondContact O-CG 3.48Å; K57-E61 PolarHBondContact O-N 3.27Å; R58-E61 PolarHBondContact O-N 3.46Å; E59-E61 VanDerWaalsContact C-N 3.34Å; E59-E61 PolarHBondContact O-N 3.3Å; E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.33Å; E61-R65 PolarHBondContact O-N 2.9Å
62	K	42.9	Very low	46.8	Very low	121 Å²	121	90.4 Å²	90.4	53%	0.526	42%	0.415	S	S	.	.	H	α-helix	trans	-69.7	-43.5	172.3	-72.1	173.5	-176.3	173	0	112.4	R58 E59 T60 Y64 R65	R58-K62 WeakPolarHBondContact O-CG 3.37Å; R58-K62 PolarHBondContact O-N 3.23Å; E59-K62 WeakPolarHBondContact O-CB 3.21Å; E59-K62 PolarHBondContact O-N 3.4Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 2.74Å; E59-K62 PolarHBondContact OE1-NZ 2.92Å; E59-K62 IonicContact OE2-NZ 3.16Å; T60-K62 VanDerWaalsContact C-N 3.26Å; T60-K62 PolarHBondContact O-N 3.39Å; K62-Y64 PolarHBondContact O-N 3.14Å; K62-R65 PolarHBondContact O-N 2.94Å
63	I	39.4	Very low	45.6	Very low	100 Å²	100	89 Å²	89	51%	0.513	41%	0.406	S	S	.	.	H	α-helix	trans	-61.9	-34.7	177.9	-65.2	160.7	0	0	0	110.6	E59 T60 R65 I245	E59-I63 WeakPolarHBondContact O-CD1 3.44Å; E59-I63 VanDerWaalsContact O-CG1 3.24Å; E59-I63 WeakPolarHBondContact O-CG1 3.19Å; E59-I63 PolarHBondContact O-N 3.26Å; T60-I63 PolarHBondContact O-N 2.94Å; T60-I63 VanDerWaalsContact O-N 3.15Å; I63-R65 VanDerWaalsContact C-N 3.27Å; I63-R65 PolarHBondContact O-N 3.36Å; I63-I245 HydrophobicContact CD1-CD1 3.61Å
64	Y	39.4	Very low	44.5	Very low	76 Å²	76	91.3 Å²	91.3	30%	0.298	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.6	176.1	-64.5	-53.5	0	0	0	114.5	T60 K62 I199	T60-Y64 VanDerWaalsContact C-CD2 3.42Å; T60-Y64 WeakPolarHBondContact O-CD2 3.43Å; T60-Y64 WeakPolarHBondContact O-CE2 3.09Å; T60-Y64 VanDerWaalsContact O-CG 3.29Å; T60-Y64 PolarHBondContact O-N 3.3Å; K62-Y64 PolarHBondContact O-N 3.14Å; Y64-I199 HydrophobicContact CE1-CD1 3.89Å
65	R	42.1	Very low	43.4	Very low	154 Å²	154	89.5 Å²	89.5	58%	0.581	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-18.6	-168.9	-87.9	174.7	-164.7	-142.4	5.6	115.8	E61 K62 I63 I114	E61-R65 VanDerWaalsContact O-CG 3.24Å; E61-R65 WeakPolarHBondContact O-CG 3.33Å; E61-R65 PolarHBondContact O-N 2.9Å; K62-R65 PolarHBondContact O-N 2.94Å; I63-R65 VanDerWaalsContact C-N 3.27Å; I63-R65 PolarHBondContact O-N 3.36Å; R65-I114 WeakPolarHBondContact O-CG2 3.4Å
66	V	37.4	Very low	42.2	Very low	77 Å²	77	84 Å²	84	47%	0.467	40%	0.399	S	S	.	.			trans	-142.4	104.8	-168.6	-168.9	0	0	0	0	112.2	Q68	V66-Q68 HydrophobicContact CG1-CB 4.25Å
67	Q	43.7	Very low	41.3	Very low	80 Å²	80	88.1 Å²	88.1	37%	0.374	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	99.4	155.1	-74.3	-171.4	-5.3	0	0	107.4	F69	Q67-F69 HydrophobicContact CB-CE2 3.85Å; Q67-F69 HydrophobicContact CB-CZ 4.26Å; Q67-F69 WeakPolarHBondContact O-CD2 3.47Å
68	Q	40.1	Very low	40.3	Very low	85 Å²	85	91.7 Å²	91.7	40%	0.397	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.7	175.6	-176.9	174.5	-34	0	0	109.3	V66 D70	V66-Q68 HydrophobicContact CG1-CB 4.25Å; Q68-D70 PolarHBondContact NE2-OD1 3.23Å
69	F	40.8	Very low	39.4	Very low	68 Å²	68	88.4 Å²	88.4	30%	0.298	42%	0.419	S	S	.	.			trans	-113.1	113.4	172.1	-65.4	-83.9	0	0	0	108.6	Q67 C71 F111 V113	Q67-F69 HydrophobicContact CB-CE2 3.85Å; Q67-F69 HydrophobicContact CB-CZ 4.26Å; Q67-F69 WeakPolarHBondContact O-CD2 3.47Å; F69-C71 PolarHBondContact O-N 3.36Å; F69-F111 VanDerWaalsContact O-O 3.08Å; F69-V113 HydrophobicContact CD2-CB 4.19Å; F69-V113 HydrophobicContact CD2-CG2 4.05Å; F69-V113 HydrophobicContact CE2-CB 4.28Å; F69-V113 HydrophobicContact CE2-CG2 4.38Å
70	D	33.7	Very low	38.5	Very low	93 Å²	93	86.8 Å²	86.8	50%	0.497	42%	0.423	S	S	.	.			trans	-79.5	113.7	176.6	-61	-33	0	0	0	109.3	Q68	Q68-D70 PolarHBondContact NE2-OD1 3.23Å
71	C	34	Very low	38.1	Very low	26 Å²	26	89.7 Å²	89.7	18%	0.176	44%	0.442	C	S	.	.			trans	-95.3	118.3	178.2	-67.4	0	0	0	0	110.3	F69 Y189	F69-C71 PolarHBondContact O-N 3.36Å; C71-Y189 HydrophobicContact CB-CD1 3.82Å; C71-Y189 HydrophobicContact CB-CE1 4.01Å
72	Q	33.2	Very low	37.6	Very low	188 Å²	188	87.3 Å²	87.3	88%	0.879	44%	0.435	S	S	*	.			trans	-72.6	144.5	172.9	-70.3	-171.7	-7.8	0	0	111.6
73	C	33.9	Very low	37.6	Very low	11 Å²	11	85.7 Å²	85.7	7%	0.074	44%	0.435	C	S	.	.			trans	-111.7	138.2	-165.2	-70.9	0	0	0	0	116.7	R187	C73-R187 VanDerWaalsContact CB-CZ 3.42Å; C73-R187 VanDerWaalsContact SG-CZ 3.57Å; C73-R187 PolarHBondContact SG-NH1 3.14Å; C73-R187 PolarHBondContact SG-NH2 3.16Å
74	N	36	Very low	37.9	Very low	98 Å²	98	84.2 Å²	84.2	52%	0.524	43%	0.427	S	S	.	.			trans	-137.8	136.8	169.9	-64.7	-48.8	0	0	0	110.5	R187	N74-R187 VanDerWaalsContact N-NH2 3.14Å; N74-R187 PolarHBondContact O-NE 2.79Å
75	E	36	Very low	38.3	Very low	59 Å²	59	85.8 Å²	85.8	28%	0.276	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.7	-178.5	-149.8	172.7	-151.5	0	0	111.3	F99 F101 H130	E75-F99 CarbonylContact O-C 3.47Å; E75-F99 PolarHBondContact O-N 2.99Å; E75-F101 HydrophobicContact CB-CD2 3.58Å; E75-F101 HydrophobicContact CB-CE2 4Å; E75-F101 HydrophobicContact CG-CD2 4.5Å; E75-F101 VanDerWaalsContact OE2-CD2 3.23Å; E75-F101 WeakPolarHBondContact OE2-CD2 3.5Å; E75-F101 WeakPolarHBondContact OE2-CE2 3.35Å; E75-H130 IonicContact OE1-CD2 3.81Å
76	C	35.5	Very low	38.6	Very low	61 Å²	61	83.1 Å²	83.1	41%	0.412	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.9	174.7	-72.1	0	0	0	0	111.1	C98	C76-C98 HydrophobicContact CB-CB 4.07Å; C76-C98 WeakPolarHBondContact CB-SG 3.16Å; C76-C98 WeakPolarHBondContact SG-CB 3.42Å; C76-C98 CovalentContact SG-SG 2.05Å; C76-C98 PolarHBondContact SG-SG 2.95Å
77	H	36.5	Very low	39.2	Very low	99 Å²	99	86.2 Å²	86.2	46%	0.458	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.8	171.8	-91.8	114	0	0	0	110.1	I79 K97 F99	H77-I79 PolarHBondContact O-N 2.74Å; H77-K97 PolarHBondContact N-O 3.42Å; H77-K97 CarbonylContact O-C 3.56Å; H77-K97 PolarHBondContact O-N 3.27Å; H77-F99 HydrophobicContact CB-CD2 4.5Å
78	R	36	Very low	39.9	Very low	187 Å²	187	89.9 Å²	89.9	71%	0.706	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.2	161.3	-74.1	-172.6	-175.4	-172.3	2.5	107.5
79	I	37.9	Very low	40.3	Very low	73 Å²	73	92 Å²	92	37%	0.374	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.1	163.4	-51.4	-175.1	0	0	0	104.2	H77 I95 K97	H77-I79 PolarHBondContact O-N 2.74Å; I79-I95 CarbonylContact C-O 3.5Å; I79-I95 WeakPolarHBondContact CA-O 3.08Å; I79-I95 WeakPolarHBondContact CB-O 3.39Å; I79-I95 PolarHBondContact N-O 3.32Å; I79-I95 VanDerWaalsContact N-O 3.13Å; I79-K97 HydrophobicContact CD1-CB 3.4Å; I79-K97 VanDerWaalsContact CD1-CB 3.4Å; I79-K97 HydrophobicContact CD1-CD 3.61Å; I79-K97 HydrophobicContact CD1-CG 4.13Å; I79-K97 HydrophobicContact CG1-CB 3.84Å
80	G	34.6	Very low	40.3	Very low	44 Å²	44	94.5 Å²	94.5	45%	0.454	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	172.8	-175	0	0	0	0	0	113.3	V82	G80-V82 PolarHBondContact O-N 3.16Å; G80-V82 VanDerWaalsContact O-N 3.09Å
81	P	39.8	Very low	40.5	Very low	79 Å²	79	93 Å²	93	51%	0.513	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	123.5	175.9	23.3	-32.1	0	0	0	109.9	L92	P81-L92 HydrophobicContact CB-CD2 3.6Å; P81-L92 HydrophobicContact CG-CD2 4.37Å
82	V	37.3	Very low	40.5	Very low	55 Å²	55	98 Å²	98	33%	0.333	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.7	173	178.4	0	0	0	0	106.7	G80 I84 K93 I95	G80-V82 PolarHBondContact O-N 3.16Å; G80-V82 VanDerWaalsContact O-N 3.09Å; V82-I84 HydrophobicContact CG1-CG1 4.2Å; V82-I84 PolarHBondContact O-N 3.26Å; V82-K93 PolarHBondContact N-O 2.93Å; V82-K93 PolarHBondContact O-N 3.24Å; V82-I95 HydrophobicContact CB-CD1 3.61Å; V82-I95 HydrophobicContact CB-CG1 4.02Å; V82-I95 HydrophobicContact CG1-CD1 4.07Å; V82-I95 HydrophobicContact CG2-CB 4.29Å; V82-I95 HydrophobicContact CG2-CD1 3.65Å; V82-I95 HydrophobicContact CG2-CG1 3.99Å
83	V	41.5	Very low	40.8	Very low	86 Å²	86	95.4 Å²	95.4	52%	0.521	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	109.1	170.5	-178.8	0	0	0	0	106.5	P85 T90 L92	V83-P85 WeakPolarHBondContact O-CD 3.4Å; V83-T90 HydrophobicContact CG1-CG2 3.9Å; V83-L92 HydrophobicContact CG2-CD2 4.15Å
84	I	47.6	Very low	40.9	Very low	69 Å²	69	100.7 Å²	100.7	35%	0.354	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.7	172.1	-55.5	176.6	0	0	0	105.6	V82 N86 K93	V82-I84 HydrophobicContact CG1-CG1 4.2Å; V82-I84 PolarHBondContact O-N 3.26Å; I84-N86 PolarHBondContact O-N 3.23Å; I84-K93 HydrophobicContact CD1-CB 4.04Å; I84-K93 HydrophobicContact CD1-CD 3.89Å
85	P	47.7	Very low	40.8	Very low	109 Å²	109	99.1 Å²	99.1	71%	0.708	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	105.5	173.3	25.6	-29.9	0	0	0	107.7	V83	V83-P85 WeakPolarHBondContact O-CD 3.4Å
86	N	46.5	Very low	40.7	Very low	99 Å²	99	100.3 Å²	100.3	53%	0.529	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	138	161.8	-161.6	10.9	0	0	0	106.9	I84 N88 N89	I84-N86 PolarHBondContact O-N 3.23Å; N86-N88 PolarHBondContact O-N 3.27Å; N86-N89 PolarHBondContact O-N 3.11Å; N86-N89 VanDerWaalsContact O-O 3.13Å
87	N	51.4	Low	40.5	Very low	141 Å²	141	102.8 Å²	102.8	75%	0.754	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	21.6	-161.7	49.1	-5.7	0	0	0	117.3
88	N	58.4	Low	40.3	Very low	157 Å²	157	102 Å²	102	84%	0.84	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.7	4.2	161.8	-82.9	-29.3	0	0	0	114.1	N86	N86-N88 PolarHBondContact O-N 3.27Å
89	N	47.6	Very low	40	Very low	131 Å²	131	97.4 Å²	97.4	70%	0.701	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	127.2	178.5	-85	-33.1	0	0	0	110.7	N86 S91	N86-N89 PolarHBondContact O-N 3.11Å; N86-N89 VanDerWaalsContact O-O 3.13Å; N89-S91 PolarHBondContact O-N 2.74Å
90	T	41	Very low	39.6	Very low	119 Å²	119	103.9 Å²	103.9	73%	0.73	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.7	101.6	170	22.6	0	0	0	0	109.8	V83	V83-T90 HydrophobicContact CG1-CG2 3.9Å
91	S	38.7	Very low	39.5	Very low	63 Å²	63	106.8 Å²	106.8	44%	0.441	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	121.9	169	42.3	0	0	0	0	110.5	N89 K93	N89-S91 PolarHBondContact O-N 2.74Å; S91-K93 PolarHBondContact O-N 2.93Å
92	L	33.5	Very low	39	Very low	131 Å²	131	110.5 Å²	110.5	69%	0.686	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.6	115.1	169.1	-85	154.2	0	0	0	108.9	P81 V83	P81-L92 HydrophobicContact CB-CD2 3.6Å; P81-L92 HydrophobicContact CG-CD2 4.37Å; V83-L92 HydrophobicContact CG2-CD2 4.15Å
93	K	39.5	Very low	38.9	Very low	133 Å²	133	111.1 Å²	111.1	58%	0.578	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109.3	120.4	172.1	-127.1	174.3	-178.4	178.1	0	108.6	V82 I84 S91 I95	V82-K93 PolarHBondContact N-O 2.93Å; V82-K93 PolarHBondContact O-N 3.24Å; I84-K93 HydrophobicContact CD1-CB 4.04Å; I84-K93 HydrophobicContact CD1-CD 3.89Å; S91-K93 PolarHBondContact O-N 2.93Å; K93-I95 PolarHBondContact O-N 2.86Å
94	L	35.7	Very low	38.6	Very low	121 Å²	121	114 Å²	114	63%	0.634	60%	0.596	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.9	121.5	167.2	-107.8	94.6	0	0	0	108.3
95	I	34.9	Very low	38.2	Very low	66 Å²	66	114.1 Å²	114.1	34%	0.338	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	107	174.8	-56.8	-171.2	0	0	0	108.2	I79 V82 K93	I79-I95 CarbonylContact C-O 3.5Å; I79-I95 WeakPolarHBondContact CA-O 3.08Å; I79-I95 WeakPolarHBondContact CB-O 3.39Å; I79-I95 PolarHBondContact N-O 3.32Å; I79-I95 VanDerWaalsContact N-O 3.13Å; V82-I95 HydrophobicContact CB-CD1 3.61Å; V82-I95 HydrophobicContact CB-CG1 4.02Å; V82-I95 HydrophobicContact CG1-CD1 4.07Å; V82-I95 HydrophobicContact CG2-CB 4.29Å; V82-I95 HydrophobicContact CG2-CD1 3.65Å; V82-I95 HydrophobicContact CG2-CG1 3.99Å; K93-I95 PolarHBondContact O-N 2.86Å
96	S	34	Very low	37.7	Very low	84 Å²	84	113 Å²	113	59%	0.587	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.6	135	164.9	48.8	0	0	0	0	109.6
97	K	31.5	Very low	37.3	Very low	113 Å²	113	113.3 Å²	113.3	49%	0.491	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.8	105.9	171.6	-159	173.7	-177.9	178.9	0	108	H77 I79 F99	H77-K97 PolarHBondContact N-O 3.42Å; H77-K97 CarbonylContact O-C 3.56Å; H77-K97 PolarHBondContact O-N 3.27Å; I79-K97 HydrophobicContact CD1-CB 3.4Å; I79-K97 VanDerWaalsContact CD1-CB 3.4Å; I79-K97 HydrophobicContact CD1-CD 3.61Å; I79-K97 HydrophobicContact CD1-CG 4.13Å; I79-K97 HydrophobicContact CG1-CB 3.84Å; K97-F99 HydrophobicContact CB-CE2 4.28Å; K97-F99 HydrophobicContact CD-CE1 4.46Å; K97-F99 HydrophobicContact CD-CE2 4.05Å; K97-F99 HydrophobicContact CD-CZ 3.75Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 4.19Å
98	C	31.8	Very low	36.6	Very low	83 Å²	83	109.9 Å²	109.9	56%	0.561	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.1	124.7	173.5	-72.9	0	0	0	0	109.6	C76	C76-C98 HydrophobicContact CB-CB 4.07Å; C76-C98 WeakPolarHBondContact CB-SG 3.16Å; C76-C98 WeakPolarHBondContact SG-CB 3.42Å; C76-C98 CovalentContact SG-SG 2.05Å; C76-C98 PolarHBondContact SG-SG 2.95Å
99	F	29.9	Very low	35.7	Very low	89 Å²	89	104.1 Å²	104.1	39%	0.39	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.7	174.8	-73.6	-84.1	0	0	0	107.9	E75 H77 K97 F101	E75-F99 CarbonylContact O-C 3.47Å; E75-F99 PolarHBondContact O-N 2.99Å; H77-F99 HydrophobicContact CB-CD2 4.5Å; K97-F99 HydrophobicContact CB-CE2 4.28Å; K97-F99 HydrophobicContact CD-CE1 4.46Å; K97-F99 HydrophobicContact CD-CE2 4.05Å; K97-F99 HydrophobicContact CD-CZ 3.75Å; K97-F99 HydrophobicContact CG-CE2 4.09Å; K97-F99 HydrophobicContact CG-CZ 4.19Å; F99-F101 HydrophobicContact CB-CD2 4.09Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 4.39Å; F99-F101 WeakPolarHBondContact O-CD2 3.46Å; F99-F101 PolarHBondContact O-N 3.28Å
100	R	29.6	Very low	35.7	Very low	210 Å²	210	98.1 Å²	98.1	79%	0.792	51%	0.513	S	S	*	.			trans	-74.8	99.3	176.7	-163.2	179.4	-168.3	175.6	1.6	108.5
101	F	30.8	Very low	36.1	Very low	104 Å²	104	92.7 Å²	92.7	46%	0.456	48%	0.479	S	S	.	.			trans	-86.6	107.3	166.9	-71	-88.8	0	0	0	108.3	E75 F99 T103	E75-F101 HydrophobicContact CB-CD2 3.58Å; E75-F101 HydrophobicContact CB-CE2 4Å; E75-F101 HydrophobicContact CG-CD2 4.5Å; E75-F101 VanDerWaalsContact OE2-CD2 3.23Å; E75-F101 WeakPolarHBondContact OE2-CD2 3.5Å; E75-F101 WeakPolarHBondContact OE2-CE2 3.35Å; F99-F101 HydrophobicContact CB-CD2 4.09Å; F99-F101 HydrophobicContact CB-CE2 3.61Å; F99-F101 HydrophobicContact CB-CZ 4.39Å; F99-F101 WeakPolarHBondContact O-CD2 3.46Å; F99-F101 PolarHBondContact O-N 3.28Å; F101-T103 VanDerWaalsContact C-N 3.3Å; F101-T103 PolarHBondContact O-N 2.94Å
102	Q	30.8	Very low	36.6	Very low	158 Å²	158	93.8 Å²	93.8	74%	0.738	47%	0.474	S	S	*	.			trans	-68.8	96	156.9	-92	170.8	-32.9	0	0	106.5	D104	Q102-D104 PolarHBondContact O-N 3.45Å
103	T	34.7	Very low	37.5	Very low	68 Å²	68	87.7 Å²	87.7	42%	0.417	44%	0.442	S	S	.	.			trans	-79.2	102.5	162.3	51.9	0	0	0	0	106.6	F101 D105	F101-T103 VanDerWaalsContact C-N 3.3Å; F101-T103 PolarHBondContact O-N 2.94Å; T103-D105 PolarHBondContact O-N 2.76Å
104	D	35	Very low	38.1	Very low	146 Å²	146	82.9 Å²	82.9	78%	0.781	42%	0.422	S	S	*	.			trans	-67.4	2.6	-176.9	-65.3	-35.6	0	0	0	114.1	Q102 P106	Q102-D104 PolarHBondContact O-N 3.45Å; D104-P106 WeakPolarHBondContact O-CD 3.34Å
105	D	38.6	Very low	38.9	Very low	71 Å²	71	79 Å²	79	38%	0.38	40%	0.401	S	S	.	.			trans	-114.2	99	178.9	-165.2	-14.2	0	0	0	112.5	T103 N107 T108	T103-D105 PolarHBondContact O-N 2.76Å; D105-N107 PolarHBondContact O-N 2.87Å; D105-N107 VanDerWaalsContact O-N 3.11Å; D105-N107 WeakPolarHBondContact OD1-CA 3.24Å; D105-N107 VanDerWaalsContact OD1-CB 3.27Å; D105-N107 WeakPolarHBondContact OD1-CB 3.44Å; D105-N107 PolarHBondContact OD1-N 3.5Å; D105-T108 HydrophobicContact CB-CG2 4.03Å; D105-T108 PolarHBondContact O-N 3.39Å; D105-T108 PolarHBondContact O-OG1 3.05Å; D105-T108 VanDerWaalsContact OD2-CG2 3.3Å; D105-T108 WeakPolarHBondContact OD2-CG2 3.44Å
106	P	37.7	Very low	39.7	Very low	85 Å²	85	80.9 Å²	80.9	55%	0.552	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12	175.2	25.2	-32.5	0	0	0	113.8	D104	D104-P106 WeakPolarHBondContact O-CD 3.34Å
107	N	37.3	Very low	40.4	Very low	107 Å²	107	83.4 Å²	83.4	57%	0.572	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-4.3	-177.3	-62	-42.9	0	0	0	114.7	D105	D105-N107 PolarHBondContact O-N 2.87Å; D105-N107 VanDerWaalsContact O-N 3.11Å; D105-N107 WeakPolarHBondContact OD1-CA 3.24Å; D105-N107 VanDerWaalsContact OD1-CB 3.27Å; D105-N107 WeakPolarHBondContact OD1-CB 3.44Å; D105-N107 PolarHBondContact OD1-N 3.5Å
108	T	38.6	Very low	41.4	Very low	69 Å²	69	81.8 Å²	81.8	42%	0.423	41%	0.41	S	S	.	.	S	Bend	trans	-95.7	-17.8	-172.8	51.2	0	0	0	0	115.2	D105	D105-T108 HydrophobicContact CB-CG2 4.03Å; D105-T108 PolarHBondContact O-N 3.39Å; D105-T108 PolarHBondContact O-OG1 3.05Å; D105-T108 VanDerWaalsContact OD2-CG2 3.3Å; D105-T108 WeakPolarHBondContact OD2-CG2 3.44Å
109	N	39.2	Very low	42.6	Very low	35 Å²	35	80.7 Å²	80.7	19%	0.187	41%	0.407	C	S	.	.	S	Bend	trans	-129.3	47.2	-172.2	-67.1	-44.5	0	0	0	113.7	F111	N109-F111 PolarHBondContact O-N 3.34Å
110	T	47.8	Very low	43.9	Very low	6 Å²	6	77.7 Å²	77.7	4%	0.037	40%	0.399	C	S	.	.			trans	-82.2	111.2	-172.9	45.6	0	0	0	0	113
111	F	48	Very low	45.4	Very low	4 Å²	4	67.7 Å²	67.7	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.7	152.8	-168.3	-87.6	0	0	0	107.9	F69 N109 V113 F123 W125 L138 A174 M191	F69-F111 VanDerWaalsContact O-O 3.08Å; N109-F111 PolarHBondContact O-N 3.34Å; F111-V113 HydrophobicContact CD1-CG2 3.86Å; F111-V113 HydrophobicContact CE1-CG2 3.43Å; F111-V113 VanDerWaalsContact CE1-CG2 3.43Å; F111-F123 AromaticContact CE1-CD1 3.44Å; F111-F123 HydrophobicContact CE1-CD1 3.44Å; F111-F123 VanDerWaalsContact CE1-CD1 3.44Å; F111-F123 HydrophobicContact CE1-CE1 4.1Å; F111-F123 HydrophobicContact CE1-CG 4.4Å; F111-F123 HydrophobicContact CZ-CB 4.03Å; F111-F123 AromaticContact CZ-CD1 3.34Å; F111-F123 HydrophobicContact CZ-CD1 3.34Å; F111-F123 HydrophobicContact CZ-CE1 4.11Å; F111-F123 AromaticContact CZ-CG 3.97Å; F111-F123 HydrophobicContact CZ-CG 3.97Å; F111-W125 HydrophobicContact CB-CE3 3.74Å; F111-W125 HydrophobicContact CB-CZ3 3.59Å; F111-W125 HydrophobicContact CD2-CD2 4.43Å; F111-W125 AromaticContact CD2-CE3 3.21Å; F111-W125 HydrophobicContact CD2-CE3 3.21Å; F111-W125 AromaticContact CD2-CZ3 3.39Å; F111-W125 HydrophobicContact CD2-CZ3 3.39Å; F111-W125 HydrophobicContact CE2-CE3 4.16Å; F111-W125 HydrophobicContact CE2-CZ3 4.5Å; F111-W125 AromaticContact CG-CE3 3.85Å; F111-W125 HydrophobicContact CG-CE3 3.85Å; F111-W125 AromaticContact CG-CZ3 3.93Å; F111-W125 HydrophobicContact CG-CZ3 3.93Å; F111-L138 HydrophobicContact CZ-CD1 4Å; F111-A174 HydrophobicContact CD2-CB 4.09Å; F111-A174 HydrophobicContact CE2-CB 3.76Å; F111-A174 HydrophobicContact CZ-CB 4.41Å; F111-M191 HydrophobicContact CD1-CE 3.1Å; F111-M191 HydrophobicContact CD1-SD 3.67Å; F111-M191 HydrophobicContact CD2-SD 4.26Å; F111-M191 HydrophobicContact CE1-CE 3.09Å; F111-M191 HydrophobicContact CE1-SD 3.31Å; F111-M191 WeakPolarHBondContact CE1-SD 3.49Å; F111-M191 HydrophobicContact CE2-SD 4.09Å; F111-M191 HydrophobicContact CG-CE 3.97Å; F111-M191 HydrophobicContact CG-SD 4.14Å; F111-M191 HydrophobicContact CZ-CE 4.03Å; F111-M191 HydrophobicContact CZ-SD 3.6Å
112	R	49.7	Very low	46.7	Very low	86 Å²	86	62.9 Å²	62.9	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.7	177.3	-72.1	175.1	172.8	-170.3	-4.7	109.4	F123 E124	R112-F123 CarbonylContact O-C 3.56Å; R112-F123 WeakPolarHBondContact O-CA 3.46Å; R112-E124 HydrophobicContact CB-CB 4.11Å; R112-E124 VanDerWaalsContact CD-OE2 3.28Å; R112-E124 WeakPolarHBondContact CD-OE2 3.38Å; R112-E124 PolarHBondContact N-O 2.9Å; R112-E124 IonicContact NH1-OE2 3.54Å; R112-E124 PolarHBondContact O-N 2.84Å
113	V	52.2	Low	48.2	Very low	4 Å²	4	55.7 Å²	55.7	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.5	166.6	-173.5	0	0	0	0	107.5	F69 F111 A122 F123 M191 Y193	F69-V113 HydrophobicContact CD2-CB 4.19Å; F69-V113 HydrophobicContact CD2-CG2 4.05Å; F69-V113 HydrophobicContact CE2-CB 4.28Å; F69-V113 HydrophobicContact CE2-CG2 4.38Å; F111-V113 HydrophobicContact CD1-CG2 3.86Å; F111-V113 HydrophobicContact CE1-CG2 3.43Å; F111-V113 VanDerWaalsContact CE1-CG2 3.43Å; V113-A122 CarbonylContact C-O 3.44Å; V113-F123 HydrophobicContact CB-CD1 4.29Å; V113-F123 HydrophobicContact CB-CE1 4.25Å; V113-F123 HydrophobicContact CG1-CD1 4.1Å; V113-F123 HydrophobicContact CG1-CE1 3.69Å; V113-F123 HydrophobicContact CG1-CZ 4.4Å; V113-F123 HydrophobicContact CG2-CD1 3.8Å; V113-F123 HydrophobicContact CG2-CE1 3.72Å; V113-M191 HydrophobicContact CG2-CE 3.85Å; V113-Y193 HydrophobicContact CG1-CD2 4.19Å; V113-Y193 HydrophobicContact CG1-CE2 4.16Å
114	I	53.1	Low	49.3	Very low	31 Å²	31	55.6 Å²	55.6	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.8	171.3	-64.9	173	0	0	0	105.7	R65 E116 A122 E124	R65-I114 WeakPolarHBondContact O-CG2 3.4Å; I114-E116 HydrophobicContact CG2-CG 4.18Å; I114-E116 PolarHBondContact O-N 2.95Å; I114-E116 VanDerWaalsContact O-N 3.17Å; I114-A122 CarbonylContact C-O 3.55Å; I114-A122 HydrophobicContact CB-CB 4.01Å; I114-A122 HydrophobicContact CG2-CB 4.27Å; I114-A122 PolarHBondContact N-O 3.16Å; I114-A122 WeakPolarHBondContact O-CA 3.27Å; I114-A122 WeakPolarHBondContact O-CB 3.45Å; I114-A122 PolarHBondContact O-N 3.47Å; I114-A122 VanDerWaalsContact O-O 3.04Å; I114-E124 HydrophobicContact CD1-CB 4.3Å
115	Q	52.5	Low	50.5	Low	40 Å²	40	49.1 Å²	49.1	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	101.2	169.2	-172	-179.8	6.6	0	0	107.6	Y193	Q115-Y193 PolarHBondContact NE2-OH 3.19Å
116	E	50.1	Low	51.4	Low	105 Å²	105	51.4 Å²	51.4	49%	0.491	27%	0.273	S	S	.	.			trans	-71.8	152.5	163.2	-68.2	-163.5	158.7	0	0	109.3	I114 T118 A122	I114-E116 HydrophobicContact CG2-CG 4.18Å; I114-E116 PolarHBondContact O-N 2.95Å; I114-E116 VanDerWaalsContact O-N 3.17Å; E116-T118 PolarHBondContact O-N 3.35Å; E116-A122 HydrophobicContact CG-CB 4.42Å
117	Q	50.4	Low	52.2	Low	138 Å²	138	54 Å²	54	65%	0.645	28%	0.278	S	S	*	.	S	Bend	trans	-71.2	46.8	178.7	-65.7	-169.8	-1.4	0	0	112.5
118	T	50.7	Low	53	Low	78 Å²	78	49.7 Å²	49.7	48%	0.479	25%	0.254	S	S	.	.	S	Bend	trans	-138.8	173.4	-173.9	59.6	0	0	0	0	110.1	E116 A120	E116-T118 PolarHBondContact O-N 3.35Å; T118-A120 PolarHBondContact O-N 2.88Å
119	A	58	Low	53.9	Low	60 Å²	60	53.1 Å²	53.1	50%	0.496	28%	0.275	S	S	.	.	S	Bend	trans	-67	7.7	176.5	0	0	0	0	0	113.3	E161 A162	A119-E161 WeakPolarHBondContact O-CG 3.37Å; A119-A162 WeakPolarHBondContact O-CB 3.31Å; A119-A162 PolarHBondContact O-N 3.4Å
120	A	57	Low	54.8	Low	26 Å²	26	54.9 Å²	54.9	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.5	-178.6	0	0	0	0	0	111.3	T118 L160	T118-A120 PolarHBondContact O-N 2.88Å; A120-L160 CarbonylContact C-O 3.43Å; A120-L160 WeakPolarHBondContact CA-O 3.48Å
121	M	61.6	Low	55.4	Low	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.4	162.8	-60.1	178	-70.8	0	0	107.9	F123 L159 L160 E161 A162 Y172 Y193	M121-F123 HydrophobicContact CB-CD2 4.36Å; M121-F123 HydrophobicContact CB-CE1 4.03Å; M121-F123 HydrophobicContact CB-CE2 3.26Å; M121-F123 HydrophobicContact CB-CZ 3.09Å; M121-F123 HydrophobicContact CE-CE2 4.24Å; M121-F123 HydrophobicContact CE-CZ 3.57Å; M121-F123 HydrophobicContact CG-CE2 4.45Å; M121-F123 HydrophobicContact CG-CZ 3.94Å; M121-F123 WeakPolarHBondContact O-CD2 3.06Å; M121-F123 WeakPolarHBondContact O-CE2 3.45Å; M121-F123 HydrophobicContact SD-CE1 4.33Å; M121-F123 HydrophobicContact SD-CZ 3.65Å; M121-L159 WeakPolarHBondContact O-CA 3.31Å; M121-L160 HydrophobicContact CE-CB 4.48Å; M121-L160 HydrophobicContact CE-CD2 3.93Å; M121-L160 HydrophobicContact CE-CG 4.35Å; M121-L160 PolarHBondContact N-O 3.45Å; M121-L160 PolarHBondContact O-N 3.07Å; M121-L160 VanDerWaalsContact O-O 3.06Å; M121-E161 WeakPolarHBondContact CE-O 3.43Å; M121-A162 HydrophobicContact CG-CB 3.73Å; M121-Y172 HydrophobicContact CE-CE1 3.81Å; M121-Y172 HydrophobicContact CE-CE2 3.83Å; M121-Y172 WeakPolarHBondContact CE-OH 3.31Å; M121-Y172 HydrophobicContact SD-CE2 4.19Å; M121-Y193 HydrophobicContact CG-CE1 4.13Å; M121-Y193 HydrophobicContact CG-CE2 3.95Å; M121-Y193 HydrophobicContact SD-CD1 3.58Å; M121-Y193 VanDerWaalsContact SD-CD1 3.58Å; M121-Y193 HydrophobicContact SD-CD2 3.68Å; M121-Y193 HydrophobicContact SD-CE1 3.47Å; M121-Y193 WeakPolarHBondContact SD-CE1 3.01Å; M121-Y193 HydrophobicContact SD-CE2 3.58Å; M121-Y193 VanDerWaalsContact SD-CE2 3.58Å; M121-Y193 HydrophobicContact SD-CG 3.67Å
122	A	58.8	Low	55.9	Low	3 Å²	3	67.1 Å²	67.1	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	140.1	168.4	0	0	0	0	0	109.2	V113 I114 E116 I157 G158 L159	V113-A122 CarbonylContact C-O 3.44Å; I114-A122 CarbonylContact C-O 3.55Å; I114-A122 HydrophobicContact CB-CB 4.01Å; I114-A122 HydrophobicContact CG2-CB 4.27Å; I114-A122 PolarHBondContact N-O 3.16Å; I114-A122 WeakPolarHBondContact O-CA 3.27Å; I114-A122 WeakPolarHBondContact O-CB 3.45Å; I114-A122 PolarHBondContact O-N 3.47Å; I114-A122 VanDerWaalsContact O-O 3.04Å; E116-A122 HydrophobicContact CG-CB 4.42Å; A122-I157 HydrophobicContact CB-CG2 4.01Å; A122-G158 CarbonylContact C-O 3.47Å; A122-G158 WeakPolarHBondContact CA-O 3.1Å; A122-L159 HydrophobicContact CB-CD2 3.67Å
123	F	62.1	Low	56.5	Low	7 Å²	7	64.1 Å²	64.1	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.3	-179.2	-55.4	-83.2	0	0	0	108	F111 R112 V113 M121 L138 I157 G158 L160	F111-F123 AromaticContact CE1-CD1 3.44Å; F111-F123 HydrophobicContact CE1-CD1 3.44Å; F111-F123 VanDerWaalsContact CE1-CD1 3.44Å; F111-F123 HydrophobicContact CE1-CE1 4.1Å; F111-F123 HydrophobicContact CE1-CG 4.4Å; F111-F123 HydrophobicContact CZ-CB 4.03Å; F111-F123 AromaticContact CZ-CD1 3.34Å; F111-F123 HydrophobicContact CZ-CD1 3.34Å; F111-F123 HydrophobicContact CZ-CE1 4.11Å; F111-F123 AromaticContact CZ-CG 3.97Å; F111-F123 HydrophobicContact CZ-CG 3.97Å; R112-F123 CarbonylContact O-C 3.56Å; R112-F123 WeakPolarHBondContact O-CA 3.46Å; V113-F123 HydrophobicContact CB-CD1 4.29Å; V113-F123 HydrophobicContact CB-CE1 4.25Å; V113-F123 HydrophobicContact CG1-CD1 4.1Å; V113-F123 HydrophobicContact CG1-CE1 3.69Å; V113-F123 HydrophobicContact CG1-CZ 4.4Å; V113-F123 HydrophobicContact CG2-CD1 3.8Å; V113-F123 HydrophobicContact CG2-CE1 3.72Å; M121-F123 HydrophobicContact CB-CD2 4.36Å; M121-F123 HydrophobicContact CB-CE1 4.03Å; M121-F123 HydrophobicContact CB-CE2 3.26Å; M121-F123 HydrophobicContact CB-CZ 3.09Å; M121-F123 HydrophobicContact CE-CE2 4.24Å; M121-F123 HydrophobicContact CE-CZ 3.57Å; M121-F123 HydrophobicContact CG-CE2 4.45Å; M121-F123 HydrophobicContact CG-CZ 3.94Å; M121-F123 WeakPolarHBondContact O-CD2 3.06Å; M121-F123 WeakPolarHBondContact O-CE2 3.45Å; M121-F123 HydrophobicContact SD-CE1 4.33Å; M121-F123 HydrophobicContact SD-CZ 3.65Å; F123-L138 HydrophobicContact CD1-CD2 3.68Å; F123-L138 HydrophobicContact CD2-CD2 3.71Å; F123-L138 HydrophobicContact CE1-CD2 3.21Å; F123-L138 HydrophobicContact CE2-CD2 3.33Å; F123-L138 HydrophobicContact CG-CD2 3.86Å; F123-L138 HydrophobicContact CZ-CD2 2.99Å; F123-L138 HydrophobicContact CZ-CG 4.48Å; F123-I157 CarbonylContact O-C 3.53Å; F123-I157 WeakPolarHBondContact O-CA 3.48Å; F123-G158 PolarHBondContact N-O 3.34Å; F123-G158 PolarHBondContact O-N 3.45Å; F123-L160 HydrophobicContact CD2-CB 4.12Å; F123-L160 HydrophobicContact CE2-CB 3.42Å; F123-L160 VanDerWaalsContact CE2-CB 3.42Å; F123-L160 HydrophobicContact CZ-CB 4.21Å
124	E	57.6	Low	57	Low	66 Å²	66	64.3 Å²	64.3	31%	0.308	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.7	169.3	-179.5	-173.7	-153.8	0	0	107.5	R112 I114 I157	R112-E124 HydrophobicContact CB-CB 4.11Å; R112-E124 VanDerWaalsContact CD-OE2 3.28Å; R112-E124 WeakPolarHBondContact CD-OE2 3.38Å; R112-E124 PolarHBondContact N-O 2.9Å; R112-E124 IonicContact NH1-OE2 3.54Å; R112-E124 PolarHBondContact O-N 2.84Å; I114-E124 HydrophobicContact CD1-CB 4.3Å; E124-I157 HydrophobicContact CB-CG1 4.42Å
125	W	59.5	Low	57.6	Low	11 Å²	11	63.9 Å²	63.9	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.4	169.8	-177.2	-101.2	0	0	0	108.8	F111 Q127 M128 F133 V136 Y189	F111-W125 HydrophobicContact CB-CE3 3.74Å; F111-W125 HydrophobicContact CB-CZ3 3.59Å; F111-W125 HydrophobicContact CD2-CD2 4.43Å; F111-W125 AromaticContact CD2-CE3 3.21Å; F111-W125 HydrophobicContact CD2-CE3 3.21Å; F111-W125 AromaticContact CD2-CZ3 3.39Å; F111-W125 HydrophobicContact CD2-CZ3 3.39Å; F111-W125 HydrophobicContact CE2-CE3 4.16Å; F111-W125 HydrophobicContact CE2-CZ3 4.5Å; F111-W125 AromaticContact CG-CE3 3.85Å; F111-W125 HydrophobicContact CG-CE3 3.85Å; F111-W125 AromaticContact CG-CZ3 3.93Å; F111-W125 HydrophobicContact CG-CZ3 3.93Å; W125-Q127 PolarHBondContact O-N 3.12Å; W125-M128 HydrophobicContact CH2-SD 4.32Å; W125-M128 HydrophobicContact CZ2-CE 3.84Å; W125-M128 HydrophobicContact CZ2-CG 3.73Å; W125-M128 HydrophobicContact CZ2-SD 3.52Å; W125-M128 VanDerWaalsContact CZ2-SD 3.52Å; W125-F133 AromaticContact CD1-CE1 3.81Å; W125-F133 AromaticContact CD1-CZ 3.64Å; W125-F133 AromaticContact NE1-CE1 3.62Å; W125-F133 AromaticContact NE1-CE2 3.92Å; W125-F133 AromaticContact NE1-CZ 3.19Å; W125-V136 HydrophobicContact CB-CG2 4.45Å; W125-V136 HydrophobicContact CD2-CG2 3.82Å; W125-V136 HydrophobicContact CE3-CG2 4.43Å; W125-V136 HydrophobicContact CG-CG2 3.84Å; W125-V136 HydrophobicContact CZ2-CG2 4.37Å; W125-Y189 HydrophobicContact CH2-CD2 4.19Å; W125-Y189 AromaticContact CH2-CE2 3.43Å; W125-Y189 HydrophobicContact CH2-CE2 3.43Å; W125-Y189 VanDerWaalsContact CH2-CE2 3.43Å; W125-Y189 AromaticContact CH2-CZ 3.68Å; W125-Y189 HydrophobicContact CZ2-CE2 4.28Å; W125-Y189 HydrophobicContact CZ3-CE2 4.21Å
126	K	56.5	Low	58.3	Low	119 Å²	119	62.1 Å²	62.1	52%	0.517	32%	0.323	S	S	.	.			trans	-64.3	127	171.9	-165.5	175.2	-179.2	-176.6	0	108.1	M128	K126-M128 PolarHBondContact O-N 3.03Å
127	Q	54.6	Low	59.3	Low	140 Å²	140	60 Å²	60	65%	0.654	31%	0.311	S	S	*	.			trans	-51.4	114.8	-176.8	-176.6	-179.8	7.4	0	0	110.3	W125	W125-Q127 PolarHBondContact O-N 3.12Å
128	M	56	Low	60.2	Low	16 Å²	16	53.5 Å²	53.5	8%	0.079	28%	0.28	C	S	.	.			trans	-69.6	135.2	164.6	-68.7	-167	-46.7	0	0	108.2	W125 K126 H130 F133 F186	W125-M128 HydrophobicContact CH2-SD 4.32Å; W125-M128 HydrophobicContact CZ2-CE 3.84Å; W125-M128 HydrophobicContact CZ2-CG 3.73Å; W125-M128 HydrophobicContact CZ2-SD 3.52Å; W125-M128 VanDerWaalsContact CZ2-SD 3.52Å; K126-M128 PolarHBondContact O-N 3.03Å; M128-H130 PolarHBondContact O-N 2.87Å; M128-F133 HydrophobicContact CE-CD2 3.55Å; M128-F133 HydrophobicContact CE-CE2 3.7Å; M128-F133 HydrophobicContact CE-CG 4.27Å; M128-F133 HydrophobicContact CE-CZ 4.5Å; M128-F186 HydrophobicContact CE-CE2 3.46Å; M128-F186 VanDerWaalsContact CE-CE2 3.46Å; M128-F186 HydrophobicContact CE-CZ 3.33Å
129	T	56.9	Low	61.1	Low	140 Å²	140	49.9 Å²	49.9	86%	0.859	26%	0.258	S	S	*	.			trans	-70.1	7.7	-176.2	45	0	0	0	0	114.5	K131	T129-K131 PolarHBondContact O-N 3.3Å
130	H	57.4	Low	61.7	Low	73 Å²	73	48.3 Å²	48.3	34%	0.338	24%	0.24	S	C	.	.			trans	-73.5	121	-177.8	-168.9	-80.1	0	0	0	111.2	E75 M128 S132 F133	E75-H130 IonicContact OE1-CD2 3.81Å; M128-H130 PolarHBondContact O-N 2.87Å; H130-S132 PolarHBondContact ND1-N 3.48Å; H130-S132 PolarHBondContact O-N 3.39Å; H130-S132 VanDerWaalsContact O-N 3.07Å; H130-F133 HydrophobicContact CB-CB 4.29Å; H130-F133 WeakPolarHBondContact O-CB 3.44Å; H130-F133 PolarHBondContact O-N 2.86Å
131	K	60	Low	62	Low	211 Å²	211	50.9 Å²	50.9	92%	0.917	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.8	-173.2	-67.4	-177.4	179.4	-179.8	0	114.7	T129	T129-K131 PolarHBondContact O-N 3.3Å
132	S	59	Low	61.8	Low	55 Å²	55	53.3 Å²	53.3	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.5	179.6	-45.6	0	0	0	0	113.7	H130 G134 T178 T179	H130-S132 PolarHBondContact ND1-N 3.48Å; H130-S132 PolarHBondContact O-N 3.39Å; H130-S132 VanDerWaalsContact O-N 3.07Å; S132-G134 PolarHBondContact O-N 2.97Å; S132-T178 CarbonylContact O-C 3.49Å; S132-T178 WeakPolarHBondContact O-CA 3.41Å; S132-T178 WeakPolarHBondContact O-CB 3.25Å; S132-T178 WeakPolarHBondContact O-CG2 3.29Å; S132-T179 PolarHBondContact O-N 2.85Å
133	F	62.1	Low	61.1	Low	23 Å²	23	62.7 Å²	62.7	10%	0.101	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.8	-176.4	-178.8	-101.4	0	0	0	111.6	W125 M128 H130 V136 F186	W125-F133 AromaticContact CD1-CE1 3.81Å; W125-F133 AromaticContact CD1-CZ 3.64Å; W125-F133 AromaticContact NE1-CE1 3.62Å; W125-F133 AromaticContact NE1-CE2 3.92Å; W125-F133 AromaticContact NE1-CZ 3.19Å; M128-F133 HydrophobicContact CE-CD2 3.55Å; M128-F133 HydrophobicContact CE-CE2 3.7Å; M128-F133 HydrophobicContact CE-CG 4.27Å; M128-F133 HydrophobicContact CE-CZ 4.5Å; H130-F133 HydrophobicContact CB-CB 4.29Å; H130-F133 WeakPolarHBondContact O-CB 3.44Å; H130-F133 PolarHBondContact O-N 2.86Å; F133-V136 HydrophobicContact CE2-CG2 4.07Å; F133-V136 HydrophobicContact CZ-CG2 3.55Å; F133-F186 AromaticContact CD2-CE1 3.33Å; F133-F186 HydrophobicContact CD2-CE1 3.33Å; F133-F186 HydrophobicContact CD2-CE2 4.43Å; F133-F186 AromaticContact CD2-CZ 3.3Å; F133-F186 HydrophobicContact CD2-CZ 3.3Å; F133-F186 AromaticContact CE2-CE1 3.63Å; F133-F186 HydrophobicContact CE2-CE1 3.63Å; F133-F186 AromaticContact CE2-CZ 3.46Å; F133-F186 HydrophobicContact CE2-CZ 3.46Å; F133-F186 VanDerWaalsContact CE2-CZ 3.46Å
134	G	64.1	Low	60	Low	9 Å²	9	71.2 Å²	71.2	9%	0.093	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-56.2	-179.6	0	0	0	0	0	114.3	S132 Y177	S132-G134 PolarHBondContact O-N 2.97Å; G134-Y177 PolarHBondContact N-O 2.99Å
135	Y	65.5	Low	59.3	Low	21 Å²	21	77.6 Å²	77.6	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	162.2	-172.9	57.2	-91.8	0	0	0	112	Y137 K151 V152 Y153 Y177 P183	Y135-Y137 HydrophobicContact CD2-CD2 4.23Å; Y135-Y137 HydrophobicContact CD2-CE2 4.12Å; Y135-Y137 AromaticContact CE2-CD2 3.7Å; Y135-Y137 HydrophobicContact CE2-CD2 3.7Å; Y135-Y137 AromaticContact CE2-CE2 3.29Å; Y135-Y137 HydrophobicContact CE2-CE2 3.29Å; Y135-Y137 HydrophobicContact CE2-CG 4.48Å; Y135-Y137 AromaticContact CE2-CZ 3.79Å; Y135-K151 HydrophobicContact CD1-CD 4.45Å; Y135-K151 HydrophobicContact CD2-CD 4.02Å; Y135-K151 HydrophobicContact CD2-CG 3.57Å; Y135-K151 HydrophobicContact CE2-CD 4.32Å; Y135-K151 HydrophobicContact CE2-CG 4.23Å; Y135-K151 HydrophobicContact CG-CD 4.08Å; Y135-K151 HydrophobicContact CG-CG 3.78Å; Y135-V152 CarbonylContact C-O 3.55Å; Y135-V152 WeakPolarHBondContact CA-O 3.39Å; Y135-V152 VanDerWaalsContact CB-O 3.29Å; Y135-V152 WeakPolarHBondContact CB-O 3.35Å; Y135-Y153 HydrophobicContact CD1-CE1 4.38Å; Y135-Y177 HydrophobicContact CD2-CD2 4.33Å; Y135-Y177 HydrophobicContact CD2-CG 4.41Å; Y135-Y177 HydrophobicContact CE2-CD1 4.48Å; Y135-Y177 AromaticContact CE2-CD2 3.75Å; Y135-Y177 HydrophobicContact CE2-CD2 3.75Å; Y135-Y177 AromaticContact CE2-CG 3.62Å; Y135-Y177 HydrophobicContact CE2-CG 3.62Å; Y135-Y177 AromaticContact CZ-CG 3.88Å; Y135-Y177 PolarHBondContact N-O 3.17Å; Y135-Y177 PolarHBondContact O-N 2.63Å; Y135-P183 WeakPolarHBondContact OH-CB 3.12Å
136	V	66.4	Low	58.7	Low	3 Å²	3	80.4 Å²	80.4	2%	0.018	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.4	169.7	-172.4	0	0	0	0	109.1	W125 F133 K151 V152 A174 E175	W125-V136 HydrophobicContact CB-CG2 4.45Å; W125-V136 HydrophobicContact CD2-CG2 3.82Å; W125-V136 HydrophobicContact CE3-CG2 4.43Å; W125-V136 HydrophobicContact CG-CG2 3.84Å; W125-V136 HydrophobicContact CZ2-CG2 4.37Å; F133-V136 HydrophobicContact CE2-CG2 4.07Å; F133-V136 HydrophobicContact CZ-CG2 3.55Å; V136-K151 CarbonylContact O-C 3.48Å; V136-K151 WeakPolarHBondContact O-CA 3.24Å; V136-V152 PolarHBondContact N-O 2.93Å; V136-V152 PolarHBondContact O-N 2.72Å; V136-A174 HydrophobicContact CG1-CB 3.86Å; V136-E175 CarbonylContact C-O 3.57Å; V136-E175 VanDerWaalsContact CA-O 3.25Å; V136-E175 WeakPolarHBondContact CA-O 3.1Å
137	Y	70.3	Confident	58.6	Low	61 Å²	61	77.9 Å²	77.9	24%	0.239	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.5	158.7	-78.2	-60.5	0	0	0	109.6	Y135 T149 V150 K151 A174 E175 Y177	Y135-Y137 HydrophobicContact CD2-CD2 4.23Å; Y135-Y137 HydrophobicContact CD2-CE2 4.12Å; Y135-Y137 AromaticContact CE2-CD2 3.7Å; Y135-Y137 HydrophobicContact CE2-CD2 3.7Å; Y135-Y137 AromaticContact CE2-CE2 3.29Å; Y135-Y137 HydrophobicContact CE2-CE2 3.29Å; Y135-Y137 HydrophobicContact CE2-CG 4.48Å; Y135-Y137 AromaticContact CE2-CZ 3.79Å; Y137-T149 HydrophobicContact CD1-CG2 4.29Å; Y137-T149 HydrophobicContact CG-CG2 4.5Å; Y137-V150 VanDerWaalsContact CA-O 3.31Å; Y137-V150 WeakPolarHBondContact CA-O 3.39Å; Y137-K151 HydrophobicContact CD1-CB 3.99Å; Y137-K151 HydrophobicContact CD1-CG 4.38Å; Y137-K151 HydrophobicContact CE1-CB 3.61Å; Y137-K151 HydrophobicContact CE1-CD 4.32Å; Y137-K151 HydrophobicContact CE1-CG 3.92Å; Y137-A174 CarbonylContact O-C 3.44Å; Y137-A174 WeakPolarHBondContact O-CA 3.44Å; Y137-E175 PolarHBondContact N-O 3.16Å; Y137-E175 PolarHBondContact O-N 2.77Å; Y137-Y177 AromaticContact CD2-CD2 3.65Å; Y137-Y177 HydrophobicContact CD2-CD2 3.65Å; Y137-Y177 AromaticContact CD2-CE2 3.46Å; Y137-Y177 HydrophobicContact CD2-CE2 3.46Å; Y137-Y177 VanDerWaalsContact CD2-CE2 3.46Å; Y137-Y177 HydrophobicContact CE2-CD2 4.24Å; Y137-Y177 HydrophobicContact CE2-CE2 4.2Å; Y137-Y177 HydrophobicContact CG-CE2 4.45Å
138	L	69.9	Low	58.8	Low	2 Å²	2	75.5 Å²	75.5	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117.5	160.6	-172.5	66	0	0	0	108.2	F111 F123 N148 T149 V150 L160 Y172 A174 M191	F111-L138 HydrophobicContact CZ-CD1 4Å; F123-L138 HydrophobicContact CD1-CD2 3.68Å; F123-L138 HydrophobicContact CD2-CD2 3.71Å; F123-L138 HydrophobicContact CE1-CD2 3.21Å; F123-L138 HydrophobicContact CE2-CD2 3.33Å; F123-L138 HydrophobicContact CG-CD2 3.86Å; F123-L138 HydrophobicContact CZ-CD2 2.99Å; F123-L138 HydrophobicContact CZ-CG 4.48Å; L138-N148 VanDerWaalsContact O-O 3.13Å; L138-T149 VanDerWaalsContact O-CA 3.3Å; L138-T149 WeakPolarHBondContact O-CA 3.35Å; L138-V150 PolarHBondContact N-O 2.86Å; L138-V150 PolarHBondContact O-N 3.04Å; L138-V150 VanDerWaalsContact O-N 3.17Å; L138-L160 HydrophobicContact CB-CD2 4.29Å; L138-L160 HydrophobicContact CD2-CB 4.12Å; L138-L160 HydrophobicContact CD2-CD2 3.41Å; L138-L160 VanDerWaalsContact CD2-CD2 3.41Å; L138-L160 HydrophobicContact CD2-CG 4.39Å; L138-L160 HydrophobicContact CG-CD2 3.78Å; L138-Y172 HydrophobicContact CD1-CD1 4.47Å; L138-Y172 HydrophobicContact CD1-CG 4.44Å; L138-Y172 HydrophobicContact CD2-CD1 4.46Å; L138-Y172 HydrophobicContact CG-CD1 4.22Å; L138-A174 HydrophobicContact CD1-CB 4.21Å; L138-M191 HydrophobicContact CD1-SD 4.19Å
139	V	70.6	Confident	59.1	Low	1 Å²	1	77.8 Å²	77.8	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.7	-173.3	175.4	0	0	0	0	108.6	D147 T149 Y172 R173 E175	V139-D147 HydrophobicContact CG1-CB 3.61Å; V139-D147 WeakPolarHBondContact CG1-OD1 3.4Å; V139-T149 HydrophobicContact CG2-CG2 3.9Å; V139-Y172 CarbonylContact O-C 3.58Å; V139-Y172 WeakPolarHBondContact O-CA 3.4Å; V139-R173 HydrophobicContact CB-CG 3.57Å; V139-R173 WeakPolarHBondContact CB-O 3.44Å; V139-R173 HydrophobicContact CG1-CG 3.89Å; V139-R173 HydrophobicContact CG2-CG 4.26Å; V139-R173 PolarHBondContact N-O 2.74Å; V139-R173 PolarHBondContact O-N 3.18Å; V139-E175 HydrophobicContact CG2-CG 4.17Å
140	H	69.5	Low	59.4	Low	28 Å²	28	72.7 Å²	72.7	13%	0.13	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.2	166.6	-174.8	-146	0	0	0	108.9	V142 N148 I163 T170 K171 Y172	H140-V142 VanDerWaalsContact C-N 3.31Å; H140-V142 HydrophobicContact CB-CG2 4.35Å; H140-V142 VanDerWaalsContact CE1-CG2 3.4Å; H140-V142 WeakPolarHBondContact CE1-CG2 3.48Å; H140-V142 WeakPolarHBondContact ND1-CG2 3.46Å; H140-V142 PolarHBondContact O-N 2.79Å; H140-N148 HydrophobicContact CB-CB 4.41Å; H140-I163 HydrophobicContact CB-CD1 4.02Å; H140-I163 WeakPolarHBondContact ND1-CD1 3.48Å; H140-T170 VanDerWaalsContact CD2-CG2 3.4Å; H140-T170 WeakPolarHBondContact CD2-CG2 3.38Å; H140-T170 WeakPolarHBondContact NE2-CG2 3.37Å; H140-K171 PolarHBondContact CD2-O 3.13Å; H140-Y172 HydrophobicContact CB-CD1 3.98Å; H140-Y172 HydrophobicContact CB-CE1 3.73Å; H140-Y172 AromaticContact CD2-CE1 3.88Å; H140-Y172 AromaticContact CG-CE1 3.93Å
141	D	63.5	Low	59.8	Low	79 Å²	79	72.8 Å²	72.8	42%	0.422	36%	0.359	S	S	.	.			trans	-76.8	82	-177.5	-160.8	16.1	0	0	0	109.8	R173	D141-R173 IonicContact OD1-NH1 2.86Å; D141-R173 PolarHBondContact OD1-NH1 2.7Å
142	V	56.9	Low	59.9	Low	52 Å²	52	63.1 Å²	63.1	32%	0.315	32%	0.318	S	S	.	.			trans	-97	110.2	175.9	-170.5	0	0	0	0	108.5	H140 F144 W145	H140-V142 VanDerWaalsContact C-N 3.31Å; H140-V142 HydrophobicContact CB-CG2 4.35Å; H140-V142 VanDerWaalsContact CE1-CG2 3.4Å; H140-V142 WeakPolarHBondContact CE1-CG2 3.48Å; H140-V142 WeakPolarHBondContact ND1-CG2 3.46Å; H140-V142 PolarHBondContact O-N 2.79Å; V142-F144 PolarHBondContact O-N 2.83Å; V142-F144 VanDerWaalsContact O-N 3.14Å; V142-W145 HydrophobicContact CB-CB 4.38Å; V142-W145 HydrophobicContact CG1-CB 3.98Å; V142-W145 HydrophobicContact CG1-CG 4.46Å; V142-W145 PolarHBondContact O-N 3.17Å
143	Y	44.7	Very low	60.1	Low	199 Å²	199	66.1 Å²	66.1	78%	0.78	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	122.1	173.1	-145.8	-109.8	0	0	0	109.2
144	F	38.6	Very low	59.8	Low	186 Å²	186	66.6 Å²	66.6	82%	0.816	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-5.8	-179.5	-70.9	-83.6	0	0	0	120.3	V142	V142-F144 PolarHBondContact O-N 2.83Å; V142-F144 VanDerWaalsContact O-N 3.14Å
145	W	43	Very low	59.3	Low	200 Å²	200	69 Å²	69	76%	0.758	36%	0.358	S	S	*	.	S	Bend	trans	-124.5	140.6	-175	-67	74.1	0	0	0	111.4	V142 D147	V142-W145 HydrophobicContact CB-CB 4.38Å; V142-W145 HydrophobicContact CG1-CB 3.98Å; V142-W145 HydrophobicContact CG1-CG 4.46Å; V142-W145 PolarHBondContact O-N 3.17Å; W145-D147 PolarHBondContact O-N 2.75Å
146	G	46.4	Very low	58.9	Low	70 Å²	70	72.6 Å²	72.6	72%	0.722	38%	0.379	S	S	*	.			trans	-46.6	127.6	-176.3	0	0	0	0	0	111.2	N148	G146-N148 PolarHBondContact O-N 3.25Å
147	D	55.4	Low	58.4	Low	66 Å²	66	77.3 Å²	77.3	35%	0.353	40%	0.403	S	S	.	.			trans	-48	117	-178.3	-71	-26.2	0	0	0	109.5	V139 W145 T149 R173	V139-D147 HydrophobicContact CG1-CB 3.61Å; V139-D147 WeakPolarHBondContact CG1-OD1 3.4Å; W145-D147 PolarHBondContact O-N 2.75Å; D147-T149 HydrophobicContact CB-CG2 3.4Å; D147-T149 VanDerWaalsContact CB-CG2 3.4Å; D147-T149 WeakPolarHBondContact O-CG2 3.4Å; D147-T149 PolarHBondContact O-N 3.34Å; D147-R173 VanDerWaalsContact CG-NH2 3.35Å; D147-R173 IonicContact OD1-NH2 3.7Å; D147-R173 PolarHBondContact OD1-NH2 2.84Å; D147-R173 VanDerWaalsContact OD1-NH2 3.16Å; D147-R173 IonicContact OD2-NH2 3.63Å; D147-R173 PolarHBondContact OD2-NH2 2.84Å
148	N	57.9	Low	57.8	Low	91 Å²	91	74.8 Å²	74.8	49%	0.487	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	93.3	166.1	-88.7	-8.7	0	0	0	106.5	L138 H140 G146 I163	L138-N148 VanDerWaalsContact O-O 3.13Å; H140-N148 HydrophobicContact CB-CB 4.41Å; G146-N148 PolarHBondContact O-N 3.25Å; N148-I163 HydrophobicContact CB-CD1 4.31Å
149	T	62.3	Low	57.2	Low	63 Å²	63	79.7 Å²	79.7	39%	0.387	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.3	-175.3	65.8	0	0	0	0	111.4	Y137 L138 V139 D147	Y137-T149 HydrophobicContact CD1-CG2 4.29Å; Y137-T149 HydrophobicContact CG-CG2 4.5Å; L138-T149 VanDerWaalsContact O-CA 3.3Å; L138-T149 WeakPolarHBondContact O-CA 3.35Å; V139-T149 HydrophobicContact CG2-CG2 3.9Å; D147-T149 HydrophobicContact CB-CG2 3.4Å; D147-T149 VanDerWaalsContact CB-CG2 3.4Å; D147-T149 WeakPolarHBondContact O-CG2 3.4Å; D147-T149 PolarHBondContact O-N 3.34Å
150	V	64	Low	56.9	Low	33 Å²	33	80.1 Å²	80.1	20%	0.2	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125	163.2	163.8	0	0	0	0	109.5	Y137 L138 V152 L159 L160	Y137-V150 VanDerWaalsContact CA-O 3.31Å; Y137-V150 WeakPolarHBondContact CA-O 3.39Å; L138-V150 PolarHBondContact N-O 2.86Å; L138-V150 PolarHBondContact O-N 3.04Å; L138-V150 VanDerWaalsContact O-N 3.17Å; V150-V152 HydrophobicContact CG1-CG2 4Å; V150-L159 WeakPolarHBondContact CG2-O 3.34Å; V150-L160 HydrophobicContact CB-CB 4.22Å; V150-L160 HydrophobicContact CB-CD1 3.87Å; V150-L160 HydrophobicContact CG2-CB 3.98Å; V150-L160 HydrophobicContact CG2-CD1 3.25Å; V150-L160 HydrophobicContact CG2-CG 4.2Å
151	K	64.9	Low	56.4	Low	75 Å²	75	85.3 Å²	85.3	33%	0.326	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.8	176.6	-164.4	178.8	-175.9	-177	0	109.7	Y135 V136 Y137 Y153	Y135-K151 HydrophobicContact CD1-CD 4.45Å; Y135-K151 HydrophobicContact CD2-CD 4.02Å; Y135-K151 HydrophobicContact CD2-CG 3.57Å; Y135-K151 HydrophobicContact CE2-CD 4.32Å; Y135-K151 HydrophobicContact CE2-CG 4.23Å; Y135-K151 HydrophobicContact CG-CD 4.08Å; Y135-K151 HydrophobicContact CG-CG 3.78Å; V136-K151 CarbonylContact O-C 3.48Å; V136-K151 WeakPolarHBondContact O-CA 3.24Å; Y137-K151 HydrophobicContact CD1-CB 3.99Å; Y137-K151 HydrophobicContact CD1-CG 4.38Å; Y137-K151 HydrophobicContact CE1-CB 3.61Å; Y137-K151 HydrophobicContact CE1-CD 4.32Å; Y137-K151 HydrophobicContact CE1-CG 3.92Å; K151-Y153 HydrophobicContact CD-CE1 4.38Å; K151-Y153 HydrophobicContact CD-CE2 4.14Å; K151-Y153 VanDerWaalsContact CE-OH 3.31Å; K151-Y153 WeakPolarHBondContact CE-OH 3.35Å; K151-Y153 HydrophobicContact CG-CE2 4.41Å; K151-Y153 PolarHBondContact NZ-OH 3.16Å
152	V	63.9	Low	56.3	Low	8 Å²	8	82 Å²	82	5%	0.048	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.8	178.5	-169.2	0	0	0	0	109.1	Y135 V136 V150 N156	Y135-V152 CarbonylContact C-O 3.55Å; Y135-V152 WeakPolarHBondContact CA-O 3.39Å; Y135-V152 VanDerWaalsContact CB-O 3.29Å; Y135-V152 WeakPolarHBondContact CB-O 3.35Å; V136-V152 PolarHBondContact N-O 2.93Å; V136-V152 PolarHBondContact O-N 2.72Å; V150-V152 HydrophobicContact CG1-CG2 4Å; V152-N156 WeakPolarHBondContact CG1-O 3.44Å
153	Y	62.1	Low	56.4	Low	118 Å²	118	81.6 Å²	81.6	46%	0.463	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.4	175.2	-65.5	-84	0	0	0	111	Y135 K151 G155 N156	Y135-Y153 HydrophobicContact CD1-CE1 4.38Å; K151-Y153 HydrophobicContact CD-CE1 4.38Å; K151-Y153 HydrophobicContact CD-CE2 4.14Å; K151-Y153 VanDerWaalsContact CE-OH 3.31Å; K151-Y153 WeakPolarHBondContact CE-OH 3.35Å; K151-Y153 HydrophobicContact CG-CE2 4.41Å; K151-Y153 PolarHBondContact NZ-OH 3.16Å; Y153-G155 PolarHBondContact O-N 3.31Å; Y153-N156 PolarHBondContact O-N 2.82Å
154	G	56.7	Low	57.2	Low	34 Å²	34	73.5 Å²	73.5	35%	0.351	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	128.5	178.4	0	0	0	0	0	112.3
155	G	52	Low	58.2	Low	59 Å²	59	71.3 Å²	71.3	61%	0.608	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-4.5	-179	0	0	0	0	0	115.4	Y153	Y153-G155 PolarHBondContact O-N 3.31Å
156	N	58.5	Low	58.9	Low	96 Å²	96	64.1 Å²	64.1	51%	0.513	38%	0.375	S	S	.	.			trans	-105.1	151.8	178.5	-68.9	-31.7	0	0	0	112.1	V152 Y153	V152-N156 WeakPolarHBondContact CG1-O 3.44Å; Y153-N156 PolarHBondContact O-N 2.82Å
157	I	55.2	Low	59.3	Low	103 Å²	103	62 Å²	62	53%	0.528	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.2	167.9	-60.6	175.4	0	0	0	107.7	A122 F123 E124	A122-I157 HydrophobicContact CB-CG2 4.01Å; F123-I157 CarbonylContact O-C 3.53Å; F123-I157 WeakPolarHBondContact O-CA 3.48Å; E124-I157 HydrophobicContact CB-CG1 4.42Å
158	G	58.1	Low	59.6	Low	7 Å²	7	62.2 Å²	62.2	7%	0.072	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.7	169.1	0	0	0	0	0	111.1	A122 F123	A122-G158 CarbonylContact C-O 3.47Å; A122-G158 WeakPolarHBondContact CA-O 3.1Å; F123-G158 PolarHBondContact N-O 3.34Å; F123-G158 PolarHBondContact O-N 3.45Å
159	L	56.8	Low	59.7	Low	106 Å²	106	62.2 Å²	62.2	56%	0.555	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.6	169.8	-63.4	173.3	0	0	0	108.1	M121 A122 V150	M121-L159 WeakPolarHBondContact O-CA 3.31Å; A122-L159 HydrophobicContact CB-CD2 3.67Å; V150-L159 WeakPolarHBondContact CG2-O 3.34Å
160	L	63.8	Low	59.8	Low	10 Å²	10	59.9 Å²	59.9	5%	0.052	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.4	167.9	-176	72.1	0	0	0	107.9	A120 M121 F123 L138 V150 A162 Y172	A120-L160 CarbonylContact C-O 3.43Å; A120-L160 WeakPolarHBondContact CA-O 3.48Å; M121-L160 HydrophobicContact CE-CB 4.48Å; M121-L160 HydrophobicContact CE-CD2 3.93Å; M121-L160 HydrophobicContact CE-CG 4.35Å; M121-L160 PolarHBondContact N-O 3.45Å; M121-L160 PolarHBondContact O-N 3.07Å; M121-L160 VanDerWaalsContact O-O 3.06Å; F123-L160 HydrophobicContact CD2-CB 4.12Å; F123-L160 HydrophobicContact CE2-CB 3.42Å; F123-L160 VanDerWaalsContact CE2-CB 3.42Å; F123-L160 HydrophobicContact CZ-CB 4.21Å; L138-L160 HydrophobicContact CB-CD2 4.29Å; L138-L160 HydrophobicContact CD2-CB 4.12Å; L138-L160 HydrophobicContact CD2-CD2 3.41Å; L138-L160 VanDerWaalsContact CD2-CD2 3.41Å; L138-L160 HydrophobicContact CD2-CG 4.39Å; L138-L160 HydrophobicContact CG-CD2 3.78Å; V150-L160 HydrophobicContact CB-CB 4.22Å; V150-L160 HydrophobicContact CB-CD1 3.87Å; V150-L160 HydrophobicContact CG2-CB 3.98Å; V150-L160 HydrophobicContact CG2-CD1 3.25Å; V150-L160 HydrophobicContact CG2-CG 4.2Å; L160-A162 PolarHBondContact O-N 3.12Å; L160-Y172 HydrophobicContact CD2-CD1 4.11Å; L160-Y172 HydrophobicContact CD2-CE1 3.72Å
161	E	59.6	Low	59.9	Low	137 Å²	137	64.9 Å²	64.9	64%	0.64	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	134.5	171.8	-164.3	175.6	178.1	0	0	110.5	A119 M121 I163	A119-E161 WeakPolarHBondContact O-CG 3.37Å; M121-E161 WeakPolarHBondContact CE-O 3.43Å; E161-I163 PolarHBondContact O-N 3.32Å
162	A	61.1	Low	60	Low	10 Å²	10	61.4 Å²	61.4	8%	0.083	34%	0.343	C	S	.	.			trans	-72.3	110	176.3	0	0	0	0	0	108.9	A119 M121 L160	A119-A162 WeakPolarHBondContact O-CB 3.31Å; A119-A162 PolarHBondContact O-N 3.4Å; M121-A162 HydrophobicContact CG-CB 3.73Å; L160-A162 PolarHBondContact O-N 3.12Å
163	I	60.2	Low	60.4	Low	42 Å²	42	63.1 Å²	63.1	22%	0.215	35%	0.349	C	S	.	.			trans	-95.1	136.1	-178.4	-51.6	171.3	0	0	0	109.3	H140 N148 E161 T170 Y172	H140-I163 HydrophobicContact CB-CD1 4.02Å; H140-I163 WeakPolarHBondContact ND1-CD1 3.48Å; N148-I163 HydrophobicContact CB-CD1 4.31Å; E161-I163 PolarHBondContact O-N 3.32Å; I163-T170 PolarHBondContact O-OG1 3.05Å; I163-Y172 WeakPolarHBondContact CB-OH 3.3Å; I163-Y172 PolarHBondContact N-OH 3.21Å
164	G	60.9	Low	60.7	Low	30 Å²	30	57.5 Å²	57.5	31%	0.309	33%	0.327	S	S	.	.	S	Bend	trans	105.1	165.2	-179.3	0	0	0	0	0	113.8	R195	G164-R195 WeakPolarHBondContact O-CD 3.45Å; G164-R195 PolarHBondContact O-NH1 3.37Å
165	Q	60.1	Low	61.4	Low	140 Å²	140	56.8 Å²	56.8	65%	0.654	31%	0.314	S	S	*	.			trans	-80.4	161.8	176	-60.4	-171.3	-10.8	0	0	110.9	C167 D168	Q165-C167 PolarHBondContact O-N 2.85Å; Q165-D168 WeakPolarHBondContact CA-OD2 3.21Å; Q165-D168 VanDerWaalsContact CB-OD2 3.3Å; Q165-D168 WeakPolarHBondContact CB-OD2 3.35Å; Q165-D168 PolarHBondContact N-OD2 2.85Å; Q165-D168 VanDerWaalsContact O-CB 3.29Å; Q165-D168 WeakPolarHBondContact O-CB 3.4Å; Q165-D168 PolarHBondContact O-N 2.93Å; Q165-D168 VanDerWaalsContact O-N 3.11Å
166	P	57	Low	62.3	Low	49 Å²	49	54 Å²	54	32%	0.318	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	143.7	164.8	-25.5	35.5	0	0	0	110.8	D168 P197	P166-D168 PolarHBondContact O-N 2.81Å; P166-P197 HydrophobicContact CB-CB 3.99Å
167	C	54.6	Low	62.9	Low	26 Å²	26	51.6 Å²	51.6	18%	0.176	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	-11.7	-175.5	-37	0	0	0	0	115.5	Q165 R195 E229 C230	Q165-C167 PolarHBondContact O-N 2.85Å; C167-R195 WeakPolarHBondContact CA-O 3.49Å; C167-R195 PolarHBondContact N-O 2.74Å; C167-E229 PolarHBondContact SG-O 3.24Å; C167-C230 HydrophobicContact CB-CB 3.84Å; C167-C230 WeakPolarHBondContact CB-SG 3.18Å; C167-C230 WeakPolarHBondContact SG-CA 3.31Å; C167-C230 WeakPolarHBondContact SG-CB 3.34Å; C167-C230 CovalentContact SG-SG 2.02Å; C167-C230 PolarHBondContact SG-SG 2.91Å
168	D	61.1	Low	63.6	Low	70 Å²	70	47.5 Å²	47.5	37%	0.374	25%	0.25	S	C	.	.			trans	-70.1	141	174.7	-70.2	-19.1	0	0	0	111	Q165 P166 K194 R195	Q165-D168 WeakPolarHBondContact CA-OD2 3.21Å; Q165-D168 VanDerWaalsContact CB-OD2 3.3Å; Q165-D168 WeakPolarHBondContact CB-OD2 3.35Å; Q165-D168 PolarHBondContact N-OD2 2.85Å; Q165-D168 VanDerWaalsContact O-CB 3.29Å; Q165-D168 WeakPolarHBondContact O-CB 3.4Å; Q165-D168 PolarHBondContact O-N 2.93Å; Q165-D168 VanDerWaalsContact O-N 3.11Å; P166-D168 PolarHBondContact O-N 2.81Å; D168-K194 WeakPolarHBondContact O-CA 3.5Å; D168-R195 PolarHBondContact O-N 2.84Å
169	V	61.1	Low	64	Low	90 Å²	90	52 Å²	52	55%	0.545	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.9	173.9	178.3	0	0	0	0	107.9	T192 Y193 K194	V169-T192 HydrophobicContact CG1-CG2 3.16Å; V169-Y193 CarbonylContact C-O 3.57Å; V169-Y193 WeakPolarHBondContact CA-O 3.47Å; V169-K194 HydrophobicContact CG2-CB 4.25Å; V169-K194 HydrophobicContact CG2-CD 4.21Å; V169-K194 HydrophobicContact CG2-CG 4.06Å
170	T	64	Low	64.4	Low	14 Å²	14	48.7 Å²	48.7	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.7	-178.1	-51.7	0	0	0	0	109.7	H140 I163 Y172 Y193	H140-T170 VanDerWaalsContact CD2-CG2 3.4Å; H140-T170 WeakPolarHBondContact CD2-CG2 3.38Å; H140-T170 WeakPolarHBondContact NE2-CG2 3.37Å; I163-T170 PolarHBondContact O-OG1 3.05Å; T170-Y172 HydrophobicContact CG2-CD2 4.09Å; T170-Y172 HydrophobicContact CG2-CE1 4.43Å; T170-Y172 HydrophobicContact CG2-CE2 3.43Å; T170-Y172 VanDerWaalsContact CG2-CE2 3.43Å; T170-Y193 PolarHBondContact N-O 2.98Å; T170-Y193 PolarHBondContact O-N 3.13Å
171	K	66.1	Low	64.3	Low	138 Å²	138	57.2 Å²	57.2	60%	0.6	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.6	175.2	-67.3	-178	-178.4	178.1	0	109.5	H140 M191	H140-K171 PolarHBondContact CD2-O 3.13Å; K171-M191 WeakPolarHBondContact CA-O 3.41Å
172	Y	67.8	Low	64.5	Low	3 Å²	3	58.6 Å²	58.6	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.8	172.5	-68.1	-86.7	0	0	0	109.1	M121 L138 V139 H140 L160 I163 T170 M191 Y193	M121-Y172 HydrophobicContact CE-CE1 3.81Å; M121-Y172 HydrophobicContact CE-CE2 3.83Å; M121-Y172 WeakPolarHBondContact CE-OH 3.31Å; M121-Y172 HydrophobicContact SD-CE2 4.19Å; L138-Y172 HydrophobicContact CD1-CD1 4.47Å; L138-Y172 HydrophobicContact CD1-CG 4.44Å; L138-Y172 HydrophobicContact CD2-CD1 4.46Å; L138-Y172 HydrophobicContact CG-CD1 4.22Å; V139-Y172 CarbonylContact O-C 3.58Å; V139-Y172 WeakPolarHBondContact O-CA 3.4Å; H140-Y172 HydrophobicContact CB-CD1 3.98Å; H140-Y172 HydrophobicContact CB-CE1 3.73Å; H140-Y172 AromaticContact CD2-CE1 3.88Å; H140-Y172 AromaticContact CG-CE1 3.93Å; L160-Y172 HydrophobicContact CD2-CD1 4.11Å; L160-Y172 HydrophobicContact CD2-CE1 3.72Å; I163-Y172 WeakPolarHBondContact CB-OH 3.3Å; I163-Y172 PolarHBondContact N-OH 3.21Å; T170-Y172 HydrophobicContact CG2-CD2 4.09Å; T170-Y172 HydrophobicContact CG2-CE1 4.43Å; T170-Y172 HydrophobicContact CG2-CE2 3.43Å; T170-Y172 VanDerWaalsContact CG2-CE2 3.43Å; Y172-M191 PolarHBondContact N-O 2.93Å; Y172-M191 WeakPolarHBondContact O-CA 3.38Å; Y172-M191 WeakPolarHBondContact O-CB 3.48Å; Y172-M191 PolarHBondContact O-N 2.81Å; Y172-Y193 HydrophobicContact CE2-CD1 4.03Å; Y172-Y193 HydrophobicContact CE2-CG 4.13Å
173	R	70.5	Confident	64.7	Low	44 Å²	44	61.4 Å²	61.4	17%	0.166	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.1	163.7	68.8	-175.6	-174.1	-120.8	-5.7	110.8	V139 D141 D147 E175 T188 Y189	V139-R173 HydrophobicContact CB-CG 3.57Å; V139-R173 WeakPolarHBondContact CB-O 3.44Å; V139-R173 HydrophobicContact CG1-CG 3.89Å; V139-R173 HydrophobicContact CG2-CG 4.26Å; V139-R173 PolarHBondContact N-O 2.74Å; V139-R173 PolarHBondContact O-N 3.18Å; D141-R173 IonicContact OD1-NH1 2.86Å; D141-R173 PolarHBondContact OD1-NH1 2.7Å; D147-R173 VanDerWaalsContact CG-NH2 3.35Å; D147-R173 IonicContact OD1-NH2 3.7Å; D147-R173 PolarHBondContact OD1-NH2 2.84Å; D147-R173 VanDerWaalsContact OD1-NH2 3.16Å; D147-R173 IonicContact OD2-NH2 3.63Å; D147-R173 PolarHBondContact OD2-NH2 2.84Å; R173-E175 WeakPolarHBondContact CD-OE1 3.39Å; R173-E175 HydrophobicContact CG-CG 4.26Å; R173-E175 IonicContact CZ-OE1 3.58Å; R173-E175 IonicContact NE-OE1 2.84Å; R173-E175 PolarHBondContact NE-OE1 2.77Å; R173-E175 IonicContact NH2-OE1 3.74Å; R173-T188 HydrophobicContact CB-CG2 3.81Å; R173-T188 HydrophobicContact CG-CG2 4.2Å; R173-Y189 CarbonylContact C-O 3.53Å; R173-Y189 WeakPolarHBondContact CA-O 3.23Å
174	A	68.6	Low	64.8	Low	0 Å²	0	62 Å²	62	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.5	172.4	0	0	0	0	0	108.7	F111 V136 Y137 L138 T188 Y189 M191	F111-A174 HydrophobicContact CD2-CB 4.09Å; F111-A174 HydrophobicContact CE2-CB 3.76Å; F111-A174 HydrophobicContact CZ-CB 4.41Å; V136-A174 HydrophobicContact CG1-CB 3.86Å; Y137-A174 CarbonylContact O-C 3.44Å; Y137-A174 WeakPolarHBondContact O-CA 3.44Å; L138-A174 HydrophobicContact CD1-CB 4.21Å; A174-T188 CarbonylContact O-C 3.44Å; A174-T188 VanDerWaalsContact O-CA 3.31Å; A174-T188 WeakPolarHBondContact O-CA 3.42Å; A174-Y189 HydrophobicContact CB-CD2 4.3Å; A174-Y189 PolarHBondContact N-O 3.48Å; A174-Y189 WeakPolarHBondContact O-CD2 3.3Å; A174-Y189 PolarHBondContact O-N 3.48Å; A174-M191 HydrophobicContact CB-SD 4.03Å
175	E	72.7	Confident	65	Low	19 Å²	19	63 Å²	63	9%	0.089	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.3	-175.7	-67.1	-169.3	-173.4	0	0	111.5	V136 Y137 V139 R173 Y177 N185 R187 T188	V136-E175 CarbonylContact C-O 3.57Å; V136-E175 VanDerWaalsContact CA-O 3.25Å; V136-E175 WeakPolarHBondContact CA-O 3.1Å; Y137-E175 PolarHBondContact N-O 3.16Å; Y137-E175 PolarHBondContact O-N 2.77Å; V139-E175 HydrophobicContact CG2-CG 4.17Å; R173-E175 WeakPolarHBondContact CD-OE1 3.39Å; R173-E175 HydrophobicContact CG-CG 4.26Å; R173-E175 IonicContact CZ-OE1 3.58Å; R173-E175 IonicContact NE-OE1 2.84Å; R173-E175 PolarHBondContact NE-OE1 2.77Å; R173-E175 IonicContact NH2-OE1 3.74Å; E175-Y177 HydrophobicContact CB-CD2 4.29Å; E175-Y177 HydrophobicContact CB-CE2 3.57Å; E175-Y177 WeakPolarHBondContact O-CD2 3.05Å; E175-Y177 WeakPolarHBondContact OE2-CE2 3.38Å; E175-Y177 PolarHBondContact OE2-OH 3.15Å; E175-N185 WeakPolarHBondContact CB-ND2 3.5Å; E175-N185 WeakPolarHBondContact CG-ND2 3.28Å; E175-N185 PolarHBondContact OE2-ND2 3.4Å; E175-R187 CarbonylContact C-O 3.57Å; E175-R187 WeakPolarHBondContact CA-O 3.27Å; E175-T188 HydrophobicContact CG-CG2 4.03Å
176	G	71.1	Confident	65.1	Low	1 Å²	1	58.1 Å²	58.1	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.1	175.4	0	0	0	0	0	111.9	N185 F186 R187	G176-N185 WeakPolarHBondContact O-CA 2.92Å; G176-F186 WeakPolarHBondContact O-CD1 3.29Å; G176-F186 VanDerWaalsContact O-CE1 3.29Å; G176-F186 WeakPolarHBondContact O-CE1 3.07Å; G176-F186 PolarHBondContact O-N 3.11Å; G176-R187 PolarHBondContact N-O 3.06Å
177	Y	71	Confident	65.4	Low	44 Å²	44	57.2 Å²	57.2	17%	0.173	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	150.3	176.2	-73.5	-98.7	0	0	0	113	G134 Y135 Y137 E175 P183 S184 N185 F186	G134-Y177 PolarHBondContact N-O 2.99Å; Y135-Y177 HydrophobicContact CD2-CD2 4.33Å; Y135-Y177 HydrophobicContact CD2-CG 4.41Å; Y135-Y177 HydrophobicContact CE2-CD1 4.48Å; Y135-Y177 AromaticContact CE2-CD2 3.75Å; Y135-Y177 HydrophobicContact CE2-CD2 3.75Å; Y135-Y177 AromaticContact CE2-CG 3.62Å; Y135-Y177 HydrophobicContact CE2-CG 3.62Å; Y135-Y177 AromaticContact CZ-CG 3.88Å; Y135-Y177 PolarHBondContact N-O 3.17Å; Y135-Y177 PolarHBondContact O-N 2.63Å; Y137-Y177 AromaticContact CD2-CD2 3.65Å; Y137-Y177 HydrophobicContact CD2-CD2 3.65Å; Y137-Y177 AromaticContact CD2-CE2 3.46Å; Y137-Y177 HydrophobicContact CD2-CE2 3.46Å; Y137-Y177 VanDerWaalsContact CD2-CE2 3.46Å; Y137-Y177 HydrophobicContact CE2-CD2 4.24Å; Y137-Y177 HydrophobicContact CE2-CE2 4.2Å; Y137-Y177 HydrophobicContact CG-CE2 4.45Å; E175-Y177 HydrophobicContact CB-CD2 4.29Å; E175-Y177 HydrophobicContact CB-CE2 3.57Å; E175-Y177 WeakPolarHBondContact O-CD2 3.05Å; E175-Y177 WeakPolarHBondContact OE2-CE2 3.38Å; E175-Y177 PolarHBondContact OE2-OH 3.15Å; Y177-P183 HydrophobicContact CD1-CB 4.04Å; Y177-S184 WeakPolarHBondContact CA-O 3.18Å; Y177-N185 HydrophobicContact CD1-CB 4.41Å; Y177-N185 HydrophobicContact CE1-CB 3.82Å; Y177-N185 HydrophobicContact CE2-CB 4.38Å; Y177-F186 VanDerWaalsContact N-CE1 3.28Å
178	T	69.1	Low	65.9	Low	18 Å²	18	59 Å²	59	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	156.3	174.7	56.7	0	0	0	0	112.9	S132 G180 S184 F186	S132-T178 CarbonylContact O-C 3.49Å; S132-T178 WeakPolarHBondContact O-CA 3.41Å; S132-T178 WeakPolarHBondContact O-CB 3.25Å; S132-T178 WeakPolarHBondContact O-CG2 3.29Å; T178-G180 PolarHBondContact O-N 3.25Å; T178-S184 PolarHBondContact N-O 3.07Å; T178-S184 PolarHBondContact OG1-N 3.21Å; T178-S184 PolarHBondContact OG1-OG 3.01Å; T178-F186 HydrophobicContact CG2-CB 4.43Å; T178-F186 HydrophobicContact CG2-CD1 4.05Å
179	T	66.9	Low	65.8	Low	100 Å²	100	56.4 Å²	56.4	61%	0.613	29%	0.294	S	S	*	.	S	Bend	trans	-78.5	8.3	174.8	52.2	0	0	0	0	114.4	S132	S132-T179 PolarHBondContact O-N 2.85Å
180	G	65.1	Low	65.7	Low	37 Å²	37	58.1 Å²	58.1	38%	0.381	30%	0.296	S	S	.	.	S	Bend	trans	-68.4	164.2	-176.5	0	0	0	0	0	113.8	T178 F182	T178-G180 PolarHBondContact O-N 3.25Å; G180-F182 CarbonylContact O-C 3.49Å; G180-F182 PolarHBondContact O-N 3.47Å
181	F	60.7	Low	65.5	Low	189 Å²	189	58.3 Å²	58.3	83%	0.829	30%	0.296	S	S	*	.	S	Bend	trans	-54.5	-34.5	176.4	-176.4	-95.4	0	0	0	112.6	P183	F181-P183 WeakPolarHBondContact O-CD 3.44Å
182	F	65.1	Low	65.1	Low	166 Å²	166	55.9 Å²	55.9	73%	0.728	29%	0.293	S	S	*	.	S	Bend	trans	-109	99.2	164.7	-65.2	-70.9	0	0	0	108.6	G180 S184	G180-F182 CarbonylContact O-C 3.49Å; G180-F182 PolarHBondContact O-N 3.47Å; F182-S184 PolarHBondContact O-N 3.02Å
183	P	64.3	Low	64.7	Low	70 Å²	70	56.1 Å²	56.1	46%	0.455	29%	0.294	S	S	.	.			trans	-56.9	118.3	175	-19.7	29.8	0	0	0	108.4	Y135 Y177 F181	Y135-P183 WeakPolarHBondContact OH-CB 3.12Å; Y177-P183 HydrophobicContact CD1-CB 4.04Å; F181-P183 WeakPolarHBondContact O-CD 3.44Å
184	S	62.5	Low	64	Low	53 Å²	53	57.3 Å²	57.3	37%	0.371	30%	0.301	S	S	.	.			trans	-105.9	130.8	175.1	40.9	0	0	0	0	108.4	Y177 T178 F182 F186	Y177-S184 WeakPolarHBondContact CA-O 3.18Å; T178-S184 PolarHBondContact N-O 3.07Å; T178-S184 PolarHBondContact OG1-N 3.21Å; T178-S184 PolarHBondContact OG1-OG 3.01Å; F182-S184 PolarHBondContact O-N 3.02Å; S184-F186 PolarHBondContact O-N 2.87Å; S184-F186 VanDerWaalsContact O-N 3.13Å
185	N	66.1	Low	63.5	Low	52 Å²	52	60.4 Å²	60.4	28%	0.278	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	116.5	162.4	178.7	-65	0	0	0	106.5	E175 G176 Y177 R187 T188	E175-N185 WeakPolarHBondContact CB-ND2 3.5Å; E175-N185 WeakPolarHBondContact CG-ND2 3.28Å; E175-N185 PolarHBondContact OE2-ND2 3.4Å; G176-N185 WeakPolarHBondContact O-CA 2.92Å; Y177-N185 HydrophobicContact CD1-CB 4.41Å; Y177-N185 HydrophobicContact CE1-CB 3.82Å; Y177-N185 HydrophobicContact CE2-CB 4.38Å; N185-R187 PolarHBondContact ND2-O 2.75Å; N185-R187 PolarHBondContact OD1-N 2.05Å; N185-R187 VanDerWaalsContact OD1-N 3.08Å; N185-R187 PolarHBondContact OD1-O 2.9Å; N185-T188 PolarHBondContact ND2-OG1 3.08Å
186	F	62.5	Low	62.6	Low	38 Å²	38	62.4 Å²	62.4	17%	0.167	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-14.9	174.6	74.7	-92.3	0	0	0	110.9	M128 F133 G176 Y177 T178 S184	M128-F186 HydrophobicContact CE-CE2 3.46Å; M128-F186 VanDerWaalsContact CE-CE2 3.46Å; M128-F186 HydrophobicContact CE-CZ 3.33Å; F133-F186 AromaticContact CD2-CE1 3.33Å; F133-F186 HydrophobicContact CD2-CE1 3.33Å; F133-F186 HydrophobicContact CD2-CE2 4.43Å; F133-F186 AromaticContact CD2-CZ 3.3Å; F133-F186 HydrophobicContact CD2-CZ 3.3Å; F133-F186 AromaticContact CE2-CE1 3.63Å; F133-F186 HydrophobicContact CE2-CE1 3.63Å; F133-F186 AromaticContact CE2-CZ 3.46Å; F133-F186 HydrophobicContact CE2-CZ 3.46Å; F133-F186 VanDerWaalsContact CE2-CZ 3.46Å; G176-F186 WeakPolarHBondContact O-CD1 3.29Å; G176-F186 VanDerWaalsContact O-CE1 3.29Å; G176-F186 WeakPolarHBondContact O-CE1 3.07Å; G176-F186 PolarHBondContact O-N 3.11Å; Y177-F186 VanDerWaalsContact N-CE1 3.28Å; T178-F186 HydrophobicContact CG2-CB 4.43Å; T178-F186 HydrophobicContact CG2-CD1 4.05Å; S184-F186 PolarHBondContact O-N 2.87Å; S184-F186 VanDerWaalsContact O-N 3.13Å
187	R	61.8	Low	61.5	Low	30 Å²	30	63.2 Å²	63.2	11%	0.113	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	143.1	-175.9	-145.4	144.3	-164.4	-116.2	-66.5	113.5	C73 N74 E175 G176 N185 Y189	C73-R187 VanDerWaalsContact CB-CZ 3.42Å; C73-R187 VanDerWaalsContact SG-CZ 3.57Å; C73-R187 PolarHBondContact SG-NH1 3.14Å; C73-R187 PolarHBondContact SG-NH2 3.16Å; N74-R187 VanDerWaalsContact N-NH2 3.14Å; N74-R187 PolarHBondContact O-NE 2.79Å; E175-R187 CarbonylContact C-O 3.57Å; E175-R187 WeakPolarHBondContact CA-O 3.27Å; G176-R187 PolarHBondContact N-O 3.06Å; N185-R187 PolarHBondContact ND2-O 2.75Å; N185-R187 PolarHBondContact OD1-N 2.05Å; N185-R187 VanDerWaalsContact OD1-N 3.08Å; N185-R187 PolarHBondContact OD1-O 2.9Å; R187-Y189 HydrophobicContact CB-CE2 4.21Å; R187-Y189 HydrophobicContact CG-CD2 4.36Å; R187-Y189 HydrophobicContact CG-CE2 3.71Å; R187-Y189 PolarHBondContact NH1-OH 2.9Å; R187-Y189 PolarHBondContact NH2-OH 3.37Å
188	T	64.9	Low	60.6	Low	64 Å²	64	68.3 Å²	68.3	39%	0.393	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.9	170.5	-58.1	0	0	0	0	109.2	R173 A174 E175 N185	R173-T188 HydrophobicContact CB-CG2 3.81Å; R173-T188 HydrophobicContact CG-CG2 4.2Å; A174-T188 CarbonylContact O-C 3.44Å; A174-T188 VanDerWaalsContact O-CA 3.31Å; A174-T188 WeakPolarHBondContact O-CA 3.42Å; E175-T188 HydrophobicContact CG-CG2 4.03Å; N185-T188 PolarHBondContact ND2-OG1 3.08Å
189	Y	59.3	Low	59.7	Low	14 Å²	14	70.2 Å²	70.2	6%	0.055	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.6	174.7	-62.2	-92.8	0	0	0	109.5	C71 W125 R173 A174 R187	C71-Y189 HydrophobicContact CB-CD1 3.82Å; C71-Y189 HydrophobicContact CB-CE1 4.01Å; W125-Y189 HydrophobicContact CH2-CD2 4.19Å; W125-Y189 AromaticContact CH2-CE2 3.43Å; W125-Y189 HydrophobicContact CH2-CE2 3.43Å; W125-Y189 VanDerWaalsContact CH2-CE2 3.43Å; W125-Y189 AromaticContact CH2-CZ 3.68Å; W125-Y189 HydrophobicContact CZ2-CE2 4.28Å; W125-Y189 HydrophobicContact CZ3-CE2 4.21Å; R173-Y189 CarbonylContact C-O 3.53Å; R173-Y189 WeakPolarHBondContact CA-O 3.23Å; A174-Y189 HydrophobicContact CB-CD2 4.3Å; A174-Y189 PolarHBondContact N-O 3.48Å; A174-Y189 WeakPolarHBondContact O-CD2 3.3Å; A174-Y189 PolarHBondContact O-N 3.48Å; R187-Y189 HydrophobicContact CB-CE2 4.21Å; R187-Y189 HydrophobicContact CG-CD2 4.36Å; R187-Y189 HydrophobicContact CG-CE2 3.71Å; R187-Y189 PolarHBondContact NH1-OH 2.9Å; R187-Y189 PolarHBondContact NH2-OH 3.37Å
190	Q	60.4	Low	58.5	Low	127 Å²	127	67.3 Å²	67.3	59%	0.593	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.2	170.7	-67.1	-67.3	-17.3	0	0	109.2
191	M	59.2	Low	57.5	Low	17 Å²	17	71.3 Å²	71.3	8%	0.084	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.8	-173.5	-61.8	-164.8	74	0	0	109.5	F111 V113 L138 K171 Y172 A174	F111-M191 HydrophobicContact CD1-CE 3.1Å; F111-M191 HydrophobicContact CD1-SD 3.67Å; F111-M191 HydrophobicContact CD2-SD 4.26Å; F111-M191 HydrophobicContact CE1-CE 3.09Å; F111-M191 HydrophobicContact CE1-SD 3.31Å; F111-M191 WeakPolarHBondContact CE1-SD 3.49Å; F111-M191 HydrophobicContact CE2-SD 4.09Å; F111-M191 HydrophobicContact CG-CE 3.97Å; F111-M191 HydrophobicContact CG-SD 4.14Å; F111-M191 HydrophobicContact CZ-CE 4.03Å; F111-M191 HydrophobicContact CZ-SD 3.6Å; V113-M191 HydrophobicContact CG2-CE 3.85Å; L138-M191 HydrophobicContact CD1-SD 4.19Å; K171-M191 WeakPolarHBondContact CA-O 3.41Å; Y172-M191 PolarHBondContact N-O 2.93Å; Y172-M191 WeakPolarHBondContact O-CA 3.38Å; Y172-M191 WeakPolarHBondContact O-CB 3.48Å; Y172-M191 PolarHBondContact O-N 2.81Å; A174-M191 HydrophobicContact CB-SD 4.03Å
192	T	57.3	Low	56.6	Low	88 Å²	88	65 Å²	65	54%	0.54	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.3	174.4	-58.6	0	0	0	0	107.6	V169	V169-T192 HydrophobicContact CG1-CG2 3.16Å
193	Y	59	Low	55.5	Low	7 Å²	7	66.1 Å²	66.1	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.7	178.3	174.1	-102.8	0	0	0	109.1	V113 Q115 M121 V169 T170 Y172 R195	V113-Y193 HydrophobicContact CG1-CD2 4.19Å; V113-Y193 HydrophobicContact CG1-CE2 4.16Å; Q115-Y193 PolarHBondContact NE2-OH 3.19Å; M121-Y193 HydrophobicContact CG-CE1 4.13Å; M121-Y193 HydrophobicContact CG-CE2 3.95Å; M121-Y193 HydrophobicContact SD-CD1 3.58Å; M121-Y193 VanDerWaalsContact SD-CD1 3.58Å; M121-Y193 HydrophobicContact SD-CD2 3.68Å; M121-Y193 HydrophobicContact SD-CE1 3.47Å; M121-Y193 WeakPolarHBondContact SD-CE1 3.01Å; M121-Y193 HydrophobicContact SD-CE2 3.58Å; M121-Y193 VanDerWaalsContact SD-CE2 3.58Å; M121-Y193 HydrophobicContact SD-CG 3.67Å; V169-Y193 CarbonylContact C-O 3.57Å; V169-Y193 WeakPolarHBondContact CA-O 3.47Å; T170-Y193 PolarHBondContact N-O 2.98Å; T170-Y193 PolarHBondContact O-N 3.13Å; Y172-Y193 HydrophobicContact CE2-CD1 4.03Å; Y172-Y193 HydrophobicContact CE2-CG 4.13Å; Y193-R195 HydrophobicContact CE1-CB 3.86Å; Y193-R195 HydrophobicContact CE1-CG 4.45Å
194	K	57.1	Low	54.5	Low	70 Å²	70	65.5 Å²	65.5	30%	0.304	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.1	171.4	-173.8	177.7	-179.2	-179	0	109.1	D168 V169 V196	D168-K194 WeakPolarHBondContact O-CA 3.5Å; V169-K194 HydrophobicContact CG2-CB 4.25Å; V169-K194 HydrophobicContact CG2-CD 4.21Å; V169-K194 HydrophobicContact CG2-CG 4.06Å; K194-V196 PolarHBondContact O-N 2.75Å
195	R	56.7	Low	53.7	Low	64 Å²	64	69.3 Å²	69.3	24%	0.242	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.3	118.4	177.2	-169.6	173.8	-179.9	179	4.9	109.2	G164 C167 D168 Y193	G164-R195 WeakPolarHBondContact O-CD 3.45Å; G164-R195 PolarHBondContact O-NH1 3.37Å; C167-R195 WeakPolarHBondContact CA-O 3.49Å; C167-R195 PolarHBondContact N-O 2.74Å; D168-R195 PolarHBondContact O-N 2.84Å; Y193-R195 HydrophobicContact CE1-CB 3.86Å; Y193-R195 HydrophobicContact CE1-CG 4.45Å
196	V	53.6	Low	52.6	Low	61 Å²	61	70.4 Å²	70.4	37%	0.37	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-85	135	176.1	-175.4	0	0	0	0	109.5	K194	K194-V196 PolarHBondContact O-N 2.75Å
197	P	49.5	Very low	51.9	Low	19 Å²	19	72.8 Å²	72.8	12%	0.123	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60	146.2	175	22.4	-31.7	0	0	0	111.6	P166 I199	P166-P197 HydrophobicContact CB-CB 3.99Å; P197-I199 PolarHBondContact O-N 2.82Å; P197-I199 VanDerWaalsContact O-N 3.12Å
198	K	51.7	Low	51	Low	150 Å²	150	76.7 Å²	76.7	65%	0.652	39%	0.385	S	S	*	.			trans	-65	114.8	176.8	-177.7	175.6	-178.7	173.4	0	108.7	S200	K198-S200 PolarHBondContact O-N 2.79Å
199	I	49.8	Very low	50.1	Low	59 Å²	59	76.3 Å²	76.3	30%	0.303	38%	0.381	S	S	.	.			trans	-68.7	101.4	168	-59.3	164.6	0	0	0	106.8	Y64 P197 V202 P223	Y64-I199 HydrophobicContact CE1-CD1 3.89Å; P197-I199 PolarHBondContact O-N 2.82Å; P197-I199 VanDerWaalsContact O-N 3.12Å; I199-V202 HydrophobicContact CG2-CG2 3.72Å; I199-P223 HydrophobicContact CD1-CB 3.94Å; I199-P223 HydrophobicContact CG1-CB 4.4Å; I199-P223 HydrophobicContact CG2-CB 4.03Å
200	S	42.5	Very low	49.3	Very low	39 Å²	39	82.6 Å²	82.6	27%	0.273	41%	0.414	S	S	.	.			trans	-93.1	147.3	165.7	50.4	0	0	0	0	108.1	K198	K198-S200 PolarHBondContact O-N 2.79Å
201	N	44	Very low	48.3	Very low	120 Å²	120	84.6 Å²	84.6	64%	0.642	42%	0.418	S	S	*	.			trans	70.1	52.4	175.4	-47.3	-40.8	0	0	0	116	R203 H224	N201-R203 PolarHBondContact O-N 3.29Å; N201-H224 HydrophobicContact CB-CB 4.47Å
202	V	42	Very low	47.6	Very low	56 Å²	56	88.9 Å²	88.9	34%	0.339	45%	0.446	S	S	.	.			trans	-68.1	116	163.7	-178.2	0	0	0	0	108.7	I199 I204 I221	I199-V202 HydrophobicContact CG2-CG2 3.72Å; V202-I204 HydrophobicContact CG1-CG1 4.46Å; V202-I221 HydrophobicContact CG1-CG2 3.91Å
203	R	42.5	Very low	47	Very low	191 Å²	191	92.7 Å²	92.7	72%	0.721	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.1	168.9	-68.3	-173.8	-179.1	-173.4	0.9	108.4	N201 K205	N201-R203 PolarHBondContact O-N 3.29Å; R203-K205 PolarHBondContact O-N 3.28Å
204	I	42.6	Very low	45.9	Very low	56 Å²	56	96.2 Å²	96.2	29%	0.287	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.1	170.1	-58.5	173.1	0	0	0	106.3	I53 K57 V202 I219	I53-I204 HydrophobicContact CG2-CD1 4.23Å; K57-I204 HydrophobicContact CG-CD1 4.21Å; V202-I204 HydrophobicContact CG1-CG1 4.46Å; I204-I219 HydrophobicContact CG2-CG2 4.05Å
205	K	45.7	Very low	44.8	Very low	133 Å²	133	102.1 Å²	102.1	58%	0.578	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.2	168	-76.2	-171.2	175.9	-174.7	0	108.3	R203 M207	R203-K205 PolarHBondContact O-N 3.28Å; K205-M207 PolarHBondContact O-N 3.33Å
206	L	43.5	Very low	43.9	Very low	75 Å²	75	101.9 Å²	101.9	39%	0.393	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116	160.5	-80.8	145.7	0	0	0	106.6	I53	I53-L206 HydrophobicContact CD1-CD1 3.94Å; I53-L206 HydrophobicContact CG1-CD1 4.24Å
207	M	46.3	Very low	43.3	Very low	88 Å²	88	102.7 Å²	102.7	43%	0.433	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-87.4	125.7	168	-72	-169.7	70.6	0	0	108	K205 N209 L210 I220	K205-M207 PolarHBondContact O-N 3.33Å; M207-N209 PolarHBondContact O-N 3.05Å; M207-L210 HydrophobicContact CE-CD1 4.47Å; M207-I220 HydrophobicContact SD-CD1 3.68Å
208	P	43.2	Very low	42.6	Very low	112 Å²	112	105 Å²	105	73%	0.727	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-59.9	135.5	168.6	24	-29.1	0	0	0	108.2	L210	P208-L210 PolarHBondContact O-N 2.98Å; P208-L210 VanDerWaalsContact O-N 3.13Å
209	N	45.4	Very low	42	Very low	57 Å²	57	100.6 Å²	100.6	31%	0.305	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-50	122	178.2	-92.8	-42.5	0	0	0	109.9	M207 Y211 T214 T216	M207-N209 PolarHBondContact O-N 3.05Å; N209-Y211 PolarHBondContact O-N 2.89Å; N209-Y211 VanDerWaalsContact O-N 3.14Å; N209-T214 PolarHBondContact ND2-O 3.06Å; N209-T216 PolarHBondContact ND2-N 2.7Å; N209-T216 PolarHBondContact OD1-O 2.98Å
210	L	42.7	Very low	41.5	Very low	145 Å²	145	101.6 Å²	101.6	76%	0.759	52%	0.519	S	S	*	.	S	Bend	trans	-68.9	-2	171.4	-82.4	148.5	0	0	0	112.2	M207 P208	M207-L210 HydrophobicContact CE-CD1 4.47Å; P208-L210 PolarHBondContact O-N 2.98Å; P208-L210 VanDerWaalsContact O-N 3.13Å
211	Y	39.4	Very low	41.3	Very low	170 Å²	170	102.4 Å²	102.4	67%	0.667	52%	0.519	S	S	*	.	S	Bend	trans	-137	115.8	176.9	-75.7	-85.2	0	0	0	111.5	N209 H213	N209-Y211 PolarHBondContact O-N 2.89Å; N209-Y211 VanDerWaalsContact O-N 3.14Å; Y211-H213 PolarHBondContact O-N 3.23Å
212	P	45.5	Very low	41.1	Very low	106 Å²	106	101.2 Å²	101.2	69%	0.688	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	10.6	-178	25.7	-31	0	0	0	115.1
213	H	43.5	Very low	41	Very low	168 Å²	168	101.7 Å²	101.7	78%	0.778	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	4.2	-173.2	-53.9	-45.6	0	0	0	114.3	Y211	Y211-H213 PolarHBondContact O-N 3.23Å
214	T	37.2	Very low	40.8	Very low	81 Å²	81	98 Å²	98	50%	0.497	51%	0.507	S	S	.	.			trans	-139.3	106.8	174	44	0	0	0	0	108.4	N209 T216	N209-T214 PolarHBondContact ND2-O 3.06Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 2.97Å
215	F	34.5	Very low	40.9	Very low	194 Å²	194	101.1 Å²	101.1	85%	0.851	52%	0.52	S	S	*	.			trans	-70.1	84.4	173.8	-78.7	-89.6	0	0	0	109.6
216	T	36.6	Very low	40.7	Very low	60 Å²	60	102 Å²	102	37%	0.368	52%	0.52	S	S	.	.			trans	-129	86.5	173.6	-10.7	0	0	0	0	109.9	N209 T214 S218	N209-T216 PolarHBondContact ND2-N 2.7Å; N209-T216 PolarHBondContact OD1-O 2.98Å; T214-T216 VanDerWaalsContact C-N 3.27Å; T214-T216 PolarHBondContact O-N 2.97Å; T216-S218 PolarHBondContact O-N 3.39Å; T216-S218 PolarHBondContact O-OG 3.3Å
217	N	40.6	Very low	40.5	Very low	77 Å²	77	109.1 Å²	109.1	41%	0.412	54%	0.542	S	S	.	.			trans	-62.3	106.7	172.3	-74.1	-26	0	0	0	109.2
218	S	36.5	Very low	40.4	Very low	67 Å²	67	111.9 Å²	111.9	47%	0.469	56%	0.558	S	S	.	*			trans	-86.2	119.9	177.4	-56	0	0	0	0	109.2	T216	T216-S218 PolarHBondContact O-N 3.39Å; T216-S218 PolarHBondContact O-OG 3.3Å
219	I	38.5	Very low	40.4	Very low	59 Å²	59	110.4 Å²	110.4	30%	0.303	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.5	175.7	-53.1	-178.8	0	0	0	108.4	V52 A56 I204 I221	V52-I219 HydrophobicContact CG1-CD1 3.51Å; V52-I219 HydrophobicContact CG1-CG1 4.18Å; A56-I219 HydrophobicContact CB-CD1 3.37Å; A56-I219 HydrophobicContact CB-CG2 4.21Å; I204-I219 HydrophobicContact CG2-CG2 4.05Å; I219-I221 HydrophobicContact CG2-CG1 4.3Å
220	I	38.8	Very low	40.3	Very low	79 Å²	79	110.6 Å²	110.6	41%	0.405	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.8	172.5	-53.8	-179.5	0	0	0	108	M207 I222	M207-I220 HydrophobicContact SD-CD1 3.68Å; I220-I222 HydrophobicContact CG2-CD1 4.32Å; I220-I222 HydrophobicContact CG2-CG1 3.72Å; I220-I222 PolarHBondContact O-N 3.13Å
221	I	37.4	Very low	40	Very low	56 Å²	56	106 Å²	106	29%	0.287	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.4	170.2	-61.2	146	0	0	0	106.9	T60 V202 I219 P223	T60-I221 HydrophobicContact CG2-CD1 3.24Å; T60-I221 HydrophobicContact CG2-CG1 3.77Å; T60-I221 HydrophobicContact CG2-CG2 4.33Å; V202-I221 HydrophobicContact CG1-CG2 3.91Å; I219-I221 HydrophobicContact CG2-CG1 4.3Å; I221-P223 VanDerWaalsContact O-CD 3.26Å; I221-P223 WeakPolarHBondContact O-CD 3.48Å
222	I	39.9	Very low	39.8	Very low	95 Å²	95	106.9 Å²	106.9	49%	0.487	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	104	172.9	-53.4	179.4	0	0	0	106.9	I220 H224	I220-I222 HydrophobicContact CG2-CD1 4.32Å; I220-I222 HydrophobicContact CG2-CG1 3.72Å; I220-I222 PolarHBondContact O-N 3.13Å; I222-H224 PolarHBondContact O-N 3.34Å
223	P	39.7	Very low	39.5	Very low	66 Å²	66	112.8 Å²	112.8	43%	0.429	55%	0.553	S	S	.	*			trans	-64.4	120.9	170.4	26.9	-31.5	0	0	0	107.7	I199 I221 E225	I199-P223 HydrophobicContact CD1-CB 3.94Å; I199-P223 HydrophobicContact CG1-CB 4.4Å; I199-P223 HydrophobicContact CG2-CB 4.03Å; I221-P223 VanDerWaalsContact O-CD 3.26Å; I221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-E225 PolarHBondContact O-N 3.03Å
224	H	39.8	Very low	39	Very low	115 Å²	115	113 Å²	113	53%	0.532	56%	0.56	S	S	.	*			trans	-78.4	76.6	166.4	-167.4	-70.8	0	0	0	107.7	N201 I222 R226	N201-H224 HydrophobicContact CB-CB 4.47Å; I222-H224 PolarHBondContact O-N 3.34Å; H224-R226 PolarHBondContact O-N 3.29Å
225	E	44.3	Very low	38.9	Very low	120 Å²	120	113.6 Å²	113.6	56%	0.561	56%	0.563	S	S	*	*			trans	-59.5	122.2	170.2	-162.5	168.1	-152.9	0	0	107.2	P223 R227	P223-E225 PolarHBondContact O-N 3.03Å; E225-R227 PolarHBondContact O-N 3.28Å
226	R	40.4	Very low	38.6	Very low	151 Å²	151	115.6 Å²	115.6	57%	0.57	57%	0.565	S	S	*	*			trans	-62	96.9	163	-83.6	-179.9	179.3	-169.7	3.3	105.2	H224 N228 E229	H224-R226 PolarHBondContact O-N 3.29Å; R226-N228 PolarHBondContact O-N 3.37Å; R226-E229 HydrophobicContact CB-CG 4.04Å; R226-E229 WeakPolarHBondContact CD-OE1 3.49Å; R226-E229 IonicContact CZ-OE1 3.82Å; R226-E229 IonicContact NE-OE1 2.7Å; R226-E229 IonicContact NH1-OE1 2.94Å; R226-E229 PolarHBondContact NH1-OE1 3.33Å; R226-E229 PolarHBondContact O-N 2.99Å; R226-E229 VanDerWaalsContact O-N 3.13Å
227	R	41.2	Very low	38.4	Very low	225 Å²	225	120.5 Å²	120.5	85%	0.849	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	-5.2	-178.5	-85.1	-173.1	-177	179.8	1.4	114.9	E225	E225-R227 PolarHBondContact O-N 3.28Å
228	N	42.9	Very low	37.8	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-2.6	-172.9	-57	-5.3	0	0	0	113.6	R226	R226-N228 PolarHBondContact O-N 3.37Å
229	E	43.4	Very low	37.4	Very low	81 Å²	81	128.1 Å²	128.1	38%	0.379	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-27.5	-176.7	-70.2	-176	177.8	0	0	113.8	C167 R226	C167-E229 PolarHBondContact SG-O 3.24Å; R226-E229 HydrophobicContact CB-CG 4.04Å; R226-E229 WeakPolarHBondContact CD-OE1 3.49Å; R226-E229 IonicContact CZ-OE1 3.82Å; R226-E229 IonicContact NE-OE1 2.7Å; R226-E229 IonicContact NH1-OE1 2.94Å; R226-E229 PolarHBondContact NH1-OE1 3.33Å; R226-E229 PolarHBondContact O-N 2.99Å; R226-E229 VanDerWaalsContact O-N 3.13Å
230	C	42.5	Very low	37	Very low	62 Å²	62	128.7 Å²	128.7	42%	0.419	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.6	35.7	170.3	-53.6	0	0	0	0	112.6	C167 H232	C167-C230 HydrophobicContact CB-CB 3.84Å; C167-C230 WeakPolarHBondContact CB-SG 3.18Å; C167-C230 WeakPolarHBondContact SG-CA 3.31Å; C167-C230 WeakPolarHBondContact SG-CB 3.34Å; C167-C230 CovalentContact SG-SG 2.02Å; C167-C230 PolarHBondContact SG-SG 2.91Å; C230-H232 PolarHBondContact O-N 3.34Å
231	G	37.2	Very low	36.6	Very low	49 Å²	49	133.4 Å²	133.4	51%	0.505	66%	0.664	S	S	.	*			trans	-58.5	121.9	-174.1	0	0	0	0	0	113.8
232	H	35.6	Very low	36.2	Very low	187 Å²	187	136.7 Å²	136.7	87%	0.866	69%	0.689	S	S	*	*	S	Bend	trans	58.5	74.8	162.9	-67.6	-78.5	0	0	0	117.4	C230	C230-H232 PolarHBondContact O-N 3.34Å
233	R	39.5	Very low	35.9	Very low	231 Å²	231	143.4 Å²	143.4	87%	0.872	71%	0.708	S	S	*	*	S	Bend	trans	-154.3	131.8	144.2	-109.1	176.8	-86.5	-161.2	1.8	109.7	V235	R233-V235 PolarHBondContact O-N 3.47Å
234	N	33.2	Very low	35.5	Very low	171 Å²	171	151.4 Å²	151.4	91%	0.914	73%	0.73	S	S	*	*			trans	-38.7	84.5	-176.6	-80.6	-38.4	0	0	0	116.2
235	V	34.4	Very low	35.2	Very low	95 Å²	95	150.8 Å²	150.8	58%	0.576	73%	0.729	S	S	*	*			trans	-123.4	74.3	168	-171.3	0	0	0	0	108.3	R233 H237	R233-V235 PolarHBondContact O-N 3.47Å; V235-H237 VanDerWaalsContact C-N 3.34Å
236	R	29.1	Very low	34.6	Very low	236 Å²	236	149 Å²	149	89%	0.891	73%	0.73	S	S	*	*			trans	-84.6	-4.1	173.2	-93.3	-168.2	-163.5	-172.6	6.4	114
237	H	30.4	Very low	34.4	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.755	73%	0.732	S	S	*	*	S	Bend	trans	-133	132	-178.9	-64.4	-21.9	0	0	0	108.6	V235	V235-H237 VanDerWaalsContact C-N 3.34Å
238	M	29.5	Very low	33.9	Very low	189 Å²	189	143 Å²	143	93%	0.931	73%	0.726	S	S	*	*			trans	114.1	4	169.8	-56.2	-163.4	164.7	0	0	119.5	G240	M238-G240 PolarHBondContact O-N 3.05Å
239	C	27.9	Very low	33.3	Very low	114 Å²	114	141.4 Å²	141.4	77%	0.77	72%	0.717	S	S	*	*			trans	-88.1	103.3	154.5	-70.7	0	0	0	0	108.1	Q241	C239-Q241 PolarHBondContact O-N 3.3Å
240	G	30.6	Very low	32.6	Very low	72 Å²	72	146 Å²	146	74%	0.742	74%	0.738	S	S	*	*			trans	-49.7	131.3	169	0	0	0	0	0	109.3	M238	M238-G240 PolarHBondContact O-N 3.05Å
241	Q	28.7	Very low	32.1	Very low	177 Å²	177	150.1 Å²	150.1	83%	0.827	76%	0.755	S	S	*	*			trans	-52.5	142.6	178.7	-69.6	-154.6	-27.5	0	0	109.9	C239 R243	C239-Q241 PolarHBondContact O-N 3.3Å; Q241-R243 PolarHBondContact O-N 3.32Å
242	P	30.9	Very low	31.6	Very low	125 Å²	125	152 Å²	152	81%	0.812	77%	0.767	S	S	*	*			trans	-54.2	113.5	171	21.4	-29.6	0	0	0	107.5	R244	P242-R244 PolarHBondContact O-N 3.07Å
243	R	31.9	Very low	31.2	Very low	237 Å²	237	155.1 Å²	155.1	89%	0.894	77%	0.77	S	S	*	*			trans	-57.3	119.3	170.5	-77.6	-172.9	-177.9	-179.9	2.1	105.8	Q241 I245	Q241-R243 PolarHBondContact O-N 3.32Å; R243-I245 PolarHBondContact O-N 2.91Å
244	R	31.6	Very low	30.7	Very low	234 Å²	234	153.2 Å²	153.2	88%	0.883	79%	0.792	S	S	*	*			trans	-56.1	114.7	159.8	-86.8	-171.8	-177.3	-176.3	1.3	105.6	P242 S246	P242-R244 PolarHBondContact O-N 3.07Å; R244-S246 PolarHBondContact O-N 3.09Å
245	I	33.5	Very low	30.6	Very low	102 Å²	102	152.3 Å²	152.3	52%	0.523	79%	0.786	S	S	.	*			trans	-73.8	85.3	159.4	-58.3	174.8	0	0	0	104.1	I63 R243 D247	I63-I245 HydrophobicContact CD1-CD1 3.61Å; R243-I245 PolarHBondContact O-N 2.91Å; I245-D247 WeakPolarHBondContact CG2-OD1 3.19Å; I245-D247 PolarHBondContact O-N 3.23Å
246	S	32.4	Very low	30.4	Very low	83 Å²	83	155.3 Å²	155.3	58%	0.58	80%	0.797	S	S	*	*			trans	-77.9	98.1	160.3	56.6	0	0	0	0	105.6	R244 N248	R244-S246 PolarHBondContact O-N 3.09Å; S246-N248 VanDerWaalsContact C-N 3.26Å; S246-N248 PolarHBondContact O-N 3.37Å
247	D	36.2	Very low	30.5	Very low	113 Å²	113	150.8 Å²	150.8	60%	0.604	79%	0.792	S	S	*	*			trans	-65.8	97.5	162.6	-73.2	-23.3	0	0	0	106.6	I245 L249	I245-D247 WeakPolarHBondContact CG2-OD1 3.19Å; I245-D247 PolarHBondContact O-N 3.23Å; D247-L249 PolarHBondContact O-N 2.94Å
248	N	29.6	Very low	30.5	Very low	135 Å²	135	150.1 Å²	150.1	72%	0.722	80%	0.795	S	S	*	*			trans	-68.7	79.9	162.5	-80.8	-25	0	0	0	107	S246 H250	S246-N248 VanDerWaalsContact C-N 3.26Å; S246-N248 PolarHBondContact O-N 3.37Å; N248-H250 PolarHBondContact O-N 3.07Å
249	L	31.1	Very low	30.6	Very low	114 Å²	114	147.7 Å²	147.7	60%	0.597	79%	0.786	S	S	*	*			trans	-76.9	65.3	166.5	-134.3	98.3	0	0	0	108.3	D247 L251	D247-L249 PolarHBondContact O-N 2.94Å; L249-L251 HydrophobicContact CD2-CD1 4.06Å; L249-L251 HydrophobicContact CG-CD1 4.31Å; L249-L251 PolarHBondContact O-N 2.97Å; L249-L251 VanDerWaalsContact O-N 3.12Å
250	H	29.1	Very low	30.7	Very low	178 Å²	178	149.9 Å²	149.9	82%	0.824	79%	0.787	S	S	*	*			trans	-79.4	74.5	156.8	-86.5	-58.5	0	0	0	107.2	N248 A252	N248-H250 PolarHBondContact O-N 3.07Å; H250-A252 PolarHBondContact O-N 3.03Å
251	L	30.8	Very low	30.8	Very low	147 Å²	147	155.5 Å²	155.5	77%	0.77	79%	0.79	S	S	*	*			trans	-77.7	112.3	157.8	-105.9	146.1	0	0	0	106.3	L249	L249-L251 HydrophobicContact CD2-CD1 4.06Å; L249-L251 HydrophobicContact CG-CD1 4.31Å; L249-L251 PolarHBondContact O-N 2.97Å; L249-L251 VanDerWaalsContact O-N 3.12Å
252	A	28.5	Very low	30.9	Very low	90 Å²	90	153.8 Å²	153.8	74%	0.744	79%	0.787	S	S	*	*			trans	-49.3	137.5	-176.4	0	0	0	0	0	111.8	H250 S254	H250-A252 PolarHBondContact O-N 3.03Å; A252-S254 PolarHBondContact O-N 3.18Å
253	R	26.3	Very low	30.9	Very low	251 Å²	251	156.3 Å²	156.3	95%	0.947	79%	0.785	S	S	*	*			trans	-56.3	116	161.5	-73	171.6	164.7	173.5	-6.4	109.7
254	S	30	Very low	30.8	Very low	191 Å²	191	148.9 Å²	148.9	100%	1.336	78%	0.775	S	S	*	*			trans	-169	0	135.4	62.5	0	0	0	0	108.4	A252	A252-S254 PolarHBondContact O-N 3.18Å

Retrieved 254 of 254 residues in 90.7 ms (Link to these results)

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