G4VBB5_SCHMA Loading...

SUN domain-containing protein

AlphaFold DB , UniProt , Accession G4VBB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 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	19.6	Very low	20.3	Very low	244 Å²	244	141.1 Å²	141.1	100%	1.202	74%	0.739	S	S	*	*				0	90.8	0	-79.3	-176.2	168	0	0	108.6
2	S	20.8	Very low	20.5	Very low	120 Å²	120	142.3 Å²	142.3	84%	0.839	73%	0.727	S	S	*	*			trans	-73.2	125	167.9	36.9	0	0	0	0	108.3
3	R	18.6	Very low	20.6	Very low	236 Å²	236	148.9 Å²	148.9	89%	0.891	74%	0.737	S	S	*	*			trans	-86.5	115.5	173	-71.3	-175.8	177.8	-178	-0.7	107.6	V5	R3-V5 PolarHBondContact O-N 2.98Å
4	I	19.6	Very low	20.8	Very low	148 Å²	148	149.2 Å²	149.2	76%	0.759	74%	0.735	S	S	*	*			trans	-62.8	122.2	171.7	-61.4	168.4	0	0	0	107.7	L6	I4-L6 HydrophobicContact CG2-CD1 4.16Å
5	V	19.1	Very low	20.9	Very low	101 Å²	101	148.9 Å²	148.9	61%	0.612	74%	0.736	S	S	*	*			trans	-106.9	98.7	166.8	-178.7	0	0	0	0	107.4	R3 L7	R3-V5 PolarHBondContact O-N 2.98Å; V5-L7 HydrophobicContact CG1-CD1 4.04Å; V5-L7 HydrophobicContact CG1-CG 4.09Å; V5-L7 PolarHBondContact O-N 2.89Å
6	L	17.9	Very low	21.1	Very low	154 Å²	154	147.4 Å²	147.4	81%	0.806	73%	0.731	S	S	*	*			trans	-72.3	108.9	164.9	-100.4	132.6	0	0	0	107.9	I4	I4-L6 HydrophobicContact CG2-CD1 4.16Å
7	L	21.9	Very low	21.3	Very low	86 Å²	86	148.5 Å²	148.5	45%	0.45	73%	0.734	S	S	.	*			trans	-99.5	109.9	168.4	-92.8	152.8	0	0	0	108.6	V5 A9	V5-L7 HydrophobicContact CG1-CD1 4.04Å; V5-L7 HydrophobicContact CG1-CG 4.09Å; V5-L7 PolarHBondContact O-N 2.89Å; L7-A9 PolarHBondContact O-N 3.12Å
8	L	18.9	Very low	21.6	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	72%	0.723	S	S	*	*			trans	-62.1	123.9	166.7	-111.4	111	0	0	0	108.2	H10	L8-H10 PolarHBondContact O-N 3.33Å
9	A	22.9	Very low	21.7	Very low	54 Å²	54	145.9 Å²	145.9	45%	0.446	73%	0.726	S	S	.	*			trans	-56	98.9	165.3	0	0	0	0	0	109.4	L7 T11 V95	L7-A9 PolarHBondContact O-N 3.12Å; A9-T11 PolarHBondContact O-N 3.18Å; A9-V95 HydrophobicContact CB-CB 4.26Å; A9-V95 HydrophobicContact CB-CG1 3.92Å; A9-V95 HydrophobicContact CB-CG2 3.49Å; A9-V95 VanDerWaalsContact CB-CG2 3.49Å
10	H	21.3	Very low	21.8	Very low	170 Å²	170	147 Å²	147	79%	0.787	73%	0.733	S	S	*	*			trans	-74.2	107.1	171.8	-100.8	-75.6	0	0	0	108.3	L8 R12	L8-H10 PolarHBondContact O-N 3.33Å; H10-R12 PolarHBondContact O-N 2.91Å
11	T	22.2	Very low	22	Very low	98 Å²	98	148 Å²	148	60%	0.601	73%	0.733	S	S	*	*			trans	-64.8	99.3	165.1	46.1	0	0	0	0	107.9	A9 R13 V97	A9-T11 PolarHBondContact O-N 3.18Å; T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.09Å; T11-V97 HydrophobicContact CG2-CG1 3.94Å; T11-V97 HydrophobicContact CG2-CG2 3.97Å
12	R	23.5	Very low	22.2	Very low	156 Å²	156	141.3 Å²	141.3	59%	0.589	71%	0.71	S	S	*	*			trans	-69.9	97.4	171.6	-157.1	178.3	-173.7	-168.4	-0	106.9	H10 Q14 N127	H10-R12 PolarHBondContact O-N 2.91Å; R12-Q14 PolarHBondContact O-N 3.11Å; R12-N127 PolarHBondContact NH1-OD1 3.09Å
13	R	21	Very low	22.7	Very low	228 Å²	228	145.2 Å²	145.2	86%	0.86	71%	0.712	S	S	*	*			trans	-54.2	106.9	163.8	-118.7	-179.1	-179.8	176.7	0.6	105.8	T11 I15	T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.09Å; R13-I15 VanDerWaalsContact C-N 3.35Å; R13-I15 PolarHBondContact O-N 2.93Å
14	Q	24.5	Very low	23	Very low	153 Å²	153	142.8 Å²	142.8	72%	0.715	71%	0.711	S	S	*	*			trans	-57	108	163.5	-93.8	-177.5	-15.8	0	0	105.7	R12 N16	R12-Q14 PolarHBondContact O-N 3.11Å; Q14-N16 VanDerWaalsContact C-N 3.28Å; Q14-N16 PolarHBondContact O-N 3.34Å
15	I	22.2	Very low	23.1	Very low	144 Å²	144	143.3 Å²	143.3	74%	0.738	71%	0.71	S	S	*	*			trans	-65.1	103.7	163.4	-61.5	173	0	0	0	103.2	R13 H17	R13-I15 VanDerWaalsContact C-N 3.35Å; R13-I15 PolarHBondContact O-N 2.93Å; I15-H17 VanDerWaalsContact C-N 3.31Å; I15-H17 PolarHBondContact O-N 2.89Å
16	N	22.9	Very low	23.3	Very low	125 Å²	125	144 Å²	144	67%	0.668	72%	0.719	S	S	*	*			trans	-49.9	99.4	170.8	-94.6	-22.9	0	0	0	107.7	Q14 N18	Q14-N16 VanDerWaalsContact C-N 3.28Å; Q14-N16 PolarHBondContact O-N 3.34Å; N16-N18 PolarHBondContact O-N 3.47Å
17	H	24.5	Very low	23.5	Very low	167 Å²	167	143.7 Å²	143.7	77%	0.773	71%	0.713	S	S	*	*			trans	-70.6	79.2	159.9	-88.9	-63.6	0	0	0	106.7	I15 D19	I15-H17 VanDerWaalsContact C-N 3.31Å; I15-H17 PolarHBondContact O-N 2.89Å; H17-D19 PolarHBondContact O-N 3.1Å; H17-D19 VanDerWaalsContact O-N 3.13Å
18	N	27.8	Very low	23.6	Very low	99 Å²	99	150.4 Å²	150.4	53%	0.529	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	14.6	171.4	-107.6	-16.3	0	0	0	112.6	N16	N16-N18 PolarHBondContact O-N 3.47Å
19	D	23.6	Very low	23.7	Very low	149 Å²	149	151.7 Å²	151.7	80%	0.797	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	17.3	-175.7	-70.6	-24.3	0	0	0	114.4	H17	H17-D19 PolarHBondContact O-N 3.1Å; H17-D19 VanDerWaalsContact O-N 3.13Å
20	I	23.9	Very low	23.9	Very low	167 Å²	167	156.3 Å²	156.3	86%	0.856	75%	0.751	S	S	*	*			trans	-116.9	59.4	152.1	-47.2	179	0	0	0	108.6
21	K	24.8	Very low	24	Very low	168 Å²	168	153.1 Å²	153.1	73%	0.73	75%	0.747	S	S	*	*			trans	-78.9	108.5	148.8	-80.9	-178.1	177.5	177.4	0	107.6
22	S	25.1	Very low	24.2	Very low	103 Å²	103	155.8 Å²	155.8	72%	0.72	76%	0.758	S	S	*	*				172.8	124.5	124.5	45.7	0	0	0	0	112.9
23	K	30.2	Very low	24.2	Very low	203 Å²	203	154.8 Å²	154.8	88%	0.883	76%	0.764	S	S	*	*			trans	58.5	85	151.7	-67	178.8	172.8	179.1	0	117.5
24	Q	24.6	Very low	24.4	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	77%	0.767	S	S	*	*			trans	-160	98.7	134.4	-106.6	164	14.8	0	0	109.8
25	E	22.7	Very low	24.2	Very low	159 Å²	159	154.5 Å²	154.5	74%	0.743	77%	0.77	S	S	*	*			trans	50.8	91.1	143.1	-61.8	169.5	172.5	0	0	116.8	Q27	E25-Q27 PolarHBondContact O-N 2.88Å
26	S	22.8	Very low	24.3	Very low	115 Å²	115	156.6 Å²	156.6	80%	0.804	78%	0.777	S	S	*	*	S	Bend		8.8	72.1	80.7	70.6	0	0	0	0	114.9
27	Q	22.5	Very low	24.3	Very low	147 Å²	147	158.6 Å²	158.6	69%	0.687	79%	0.786	S	S	*	*			trans	170.2	80.5	138.5	-92.9	171.7	34.1	0	0	108.5	E25 K29	E25-Q27 PolarHBondContact O-N 2.88Å; Q27-K29 PolarHBondContact O-N 3.16Å
28	Y	24.2	Very low	24.2	Very low	228 Å²	228	155.4 Å²	155.4	89%	0.894	78%	0.783	S	S	*	*			trans	-68.3	72.9	148.5	-77.2	-84.5	0	0	0	107.6	L30	Y28-L30 PolarHBondContact O-N 2.95Å
29	K	20.6	Very low	23.9	Very low	167 Å²	167	155.9 Å²	155.9	73%	0.726	79%	0.794	S	S	*	*			trans	-75.5	87.6	151	-88	-176.5	172.4	-179.5	0	105.3	Q27 S31	Q27-K29 PolarHBondContact O-N 3.16Å; K29-S31 PolarHBondContact O-N 3.1Å; K29-S31 VanDerWaalsContact O-N 3.15Å
30	L	27	Very low	23.8	Very low	152 Å²	152	154.4 Å²	154.4	80%	0.796	79%	0.793	S	S	*	*			trans	-57.9	115.8	155.2	-89.7	156.3	0	0	0	106.5	Y28	Y28-L30 PolarHBondContact O-N 2.95Å
31	S	23.3	Very low	23.7	Very low	103 Å²	103	154.6 Å²	154.6	72%	0.72	79%	0.794	S	S	*	*			trans	-62.6	149.2	-174.3	42.1	0	0	0	0	113	K29 N33	K29-S31 PolarHBondContact O-N 3.1Å; K29-S31 VanDerWaalsContact O-N 3.15Å; S31-N33 PolarHBondContact O-N 3Å
32	D	26.7	Very low	23.4	Very low	154 Å²	154	157.3 Å²	157.3	82%	0.824	80%	0.8	S	S	*	*	S	Bend	trans	-50.3	112.5	175.1	-61.9	-56	0	0	0	111.8
33	N	22.7	Very low	23.3	Very low	135 Å²	135	160 Å²	160	72%	0.722	81%	0.806	S	S	*	*			trans	164.7	30.5	146	-83.3	-20.7	0	0	0	114.2	S31 Q35	S31-N33 PolarHBondContact O-N 3Å; N33-Q35 PolarHBondContact O-N 3.22Å; N33-Q35 VanDerWaalsContact O-N 3.13Å
34	F	25.4	Very low	22.8	Very low	208 Å²	208	157.9 Å²	157.9	91%	0.912	80%	0.799	S	S	*	*			trans	-81.8	74.9	153	-83.7	-83.7	0	0	0	108.8	Q36	F34-Q36 PolarHBondContact O-N 2.88Å; F34-Q36 VanDerWaalsContact O-N 3.12Å
35	Q	21.8	Very low	22.7	Very low	166 Å²	166	158 Å²	158	78%	0.776	80%	0.799	S	S	*	*			trans	-64.6	108.4	166.1	-76.5	-175.8	-13.6	0	0	108.8	N33 L37	N33-Q35 PolarHBondContact O-N 3.22Å; N33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-L37 PolarHBondContact O-N 3.22Å
36	Q	22.4	Very low	22.7	Very low	189 Å²	189	156.7 Å²	156.7	88%	0.883	80%	0.797	S	S	*	*			trans	22.5	91.3	146.6	-69.7	177.1	-17.8	0	0	116.4	F34	F34-Q36 PolarHBondContact O-N 2.88Å; F34-Q36 VanDerWaalsContact O-N 3.12Å
37	L	22.8	Very low	22.7	Very low	166 Å²	166	160 Å²	160	87%	0.869	80%	0.797	S	S	*	*			trans	-108.5	101.7	144.2	-88.8	160.6	0	0	0	108	Q35	Q35-L37 PolarHBondContact O-N 3.22Å
38	S	23	Very low	22.8	Very low	101 Å²	101	161.8 Å²	161.8	71%	0.706	81%	0.811	S	S	*	*	S	Bend	trans	46.1	104.3	154.8	56.2	0	0	0	0	117.9
39	S	21.2	Very low	22.7	Very low	109 Å²	109	155.1 Å²	155.1	76%	0.762	80%	0.797	S	S	*	*			trans	36.5	108.3	144.1	-53.5	0	0	0	0	116.8	L41	S39-L41 PolarHBondContact O-N 3.05Å; S39-L41 VanDerWaalsContact O-N 3.13Å
40	P	22.4	Very low	22.8	Very low	118 Å²	118	154.3 Å²	154.3	77%	0.766	80%	0.801	S	S	*	*			trans	-53.3	128.6	166	23	-30.8	0	0	0	108.1	R42	P40-R42 PolarHBondContact O-N 2.83Å
41	L	21.2	Very low	22.7	Very low	170 Å²	170	152.7 Å²	152.7	89%	0.89	80%	0.802	S	S	*	*			trans	-49	98.2	161.9	-93.9	141.1	0	0	0	106.4	S39 L43	S39-L41 PolarHBondContact O-N 3.05Å; S39-L41 VanDerWaalsContact O-N 3.13Å; L41-L43 PolarHBondContact O-N 3.27Å
42	R	18.9	Very low	22.8	Very low	226 Å²	226	152.4 Å²	152.4	85%	0.853	80%	0.8	S	S	*	*			trans	-63.4	91.3	160.4	-78.1	-179.5	166.9	167.3	-3.8	104	P40 E44	P40-R42 PolarHBondContact O-N 2.83Å; R42-E44 PolarHBondContact O-N 3.36Å
43	L	22.6	Very low	22.7	Very low	160 Å²	160	152.1 Å²	152.1	84%	0.838	80%	0.799	S	S	*	*			trans	-57.9	102	152.3	-107.6	139.6	0	0	0	104	L41 E45	L41-L43 PolarHBondContact O-N 3.27Å; L43-E45 PolarHBondContact O-N 2.96Å
44	E	20.3	Very low	22.9	Very low	157 Å²	157	150.8 Å²	150.8	73%	0.734	80%	0.799	S	S	*	*			trans	-56.9	110.7	170.4	-68.6	-160.8	155.8	0	0	106.7	R42 N46	R42-E44 PolarHBondContact O-N 3.36Å; E44-N46 PolarHBondContact O-N 3.24Å
45	E	23.1	Very low	22.9	Very low	188 Å²	188	148 Å²	148	88%	0.879	79%	0.793	S	S	*	*			trans	-64.4	4.8	171	-72.2	-179.1	152	0	0	112.5	L43 K47	L43-E45 PolarHBondContact O-N 2.96Å; E45-K47 PolarHBondContact O-N 3.35Å; E45-K47 VanDerWaalsContact O-N 3.16Å
46	N	21.5	Very low	23.1	Very low	131 Å²	131	144.6 Å²	144.6	70%	0.701	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	82.3	176.2	-70.5	-19.2	0	0	0	110.4	E44	E44-N46 PolarHBondContact O-N 3.24Å
47	K	22.3	Very low	23.4	Very low	186 Å²	186	142.2 Å²	142.2	81%	0.809	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.5	26.9	143.1	-87.4	174.7	-176.2	-175	0	115.2	E45 S49	E45-K47 PolarHBondContact O-N 3.35Å; E45-K47 VanDerWaalsContact O-N 3.16Å; K47-S49 PolarHBondContact O-N 3.32Å
48	L	26.5	Very low	23.6	Very low	184 Å²	184	142.8 Å²	142.8	96%	0.963	77%	0.77	S	S	*	*			trans	-89.6	50.7	151.8	-77.5	163.2	0	0	0	109.3
49	S	20.9	Very low	23.7	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	76%	0.763	S	S	*	*			trans	-84.5	111.4	166.5	50.3	0	0	0	0	108	K47	K47-S49 PolarHBondContact O-N 3.32Å
50	D	22.1	Very low	24.2	Very low	149 Å²	149	141.4 Å²	141.4	80%	0.797	75%	0.75	S	S	*	*			trans	51.1	76.8	152.8	-57.2	-33.2	0	0	0	117.4
51	S	25.4	Very low	24.3	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	74%	0.739	S	S	*	*			trans	-100.3	71.1	139.2	66	0	0	0	0	108.7
52	S	25.1	Very low	24.6	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	72%	0.722	S	S	*	*			trans	-67	138.4	157.8	45.4	0	0	0	0	108.7
53	N	25.4	Very low	25.2	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	70%	0.702	S	S	*	*			trans	80.1	77	-178.2	-64.9	-9	0	0	0	117.4
54	C	26.1	Very low	25.6	Very low	106 Å²	106	126.8 Å²	126.8	72%	0.716	69%	0.687	S	S	*	*			trans	-115.1	98.7	140.8	-88.6	0	0	0	0	108.3	D56	C54-D56 PolarHBondContact O-N 3.05Å
55	N	25.8	Very low	25.9	Very low	149 Å²	149	123.3 Å²	123.3	80%	0.797	67%	0.673	S	S	*	*			trans	-72.7	52.9	167.1	-98.8	-10.9	0	0	0	110
56	D	26.5	Very low	26.2	Very low	95 Å²	95	120.7 Å²	120.7	51%	0.508	66%	0.661	S	S	.	*			trans	-100.1	17.7	-179.7	-72.7	-18.3	0	0	0	112.9	C54 F58 Q59	C54-D56 PolarHBondContact O-N 3.05Å; D56-F58 PolarHBondContact O-N 2.78Å; D56-Q59 PolarHBondContact O-N 3.01Å
57	D	28.4	Very low	26.8	Very low	140 Å²	140	117.2 Å²	117.2	75%	0.749	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-3.5	174.1	-86	-18.8	0	0	0	114.2
58	F	26.9	Very low	27	Very low	178 Å²	178	114.9 Å²	114.9	78%	0.781	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-4.1	178.1	-83	-83.3	0	0	0	115.7	D56	D56-F58 PolarHBondContact O-N 2.78Å
59	Q	25	Very low	27	Very low	120 Å²	120	110 Å²	110	56%	0.561	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-31.9	178.4	-134	159.9	-1.3	0	0	112.9	D56 V61 N62 D63	D56-Q59 PolarHBondContact O-N 3.01Å; Q59-V61 PolarHBondContact O-N 2.79Å; Q59-V61 VanDerWaalsContact O-N 3.16Å; Q59-N62 PolarHBondContact O-N 2.9Å; Q59-D63 PolarHBondContact O-N 2.8Å
60	A	30.7	Very low	27.3	Very low	60 Å²	60	113 Å²	113	50%	0.496	62%	0.617	S	S	.	*	H	α-helix	trans	-61.2	-26.8	177.1	0	0	0	0	0	114.3	L64	A60-L64 WeakPolarHBondContact O-CB 3.35Å; A60-L64 PolarHBondContact O-N 3.47Å; A60-L64 VanDerWaalsContact O-N 3.14Å
61	V	26.5	Very low	27.6	Very low	87 Å²	87	110.1 Å²	110.1	53%	0.527	60%	0.598	S	S	.	*	H	α-helix	trans	-76.9	-32.6	176.7	-178.5	0	0	0	0	111.7	Q59 L64 N65	Q59-V61 PolarHBondContact O-N 2.79Å; Q59-V61 VanDerWaalsContact O-N 3.16Å; V61-L64 PolarHBondContact O-N 2.66Å; V61-N65 PolarHBondContact O-N 2.96Å
62	N	25.8	Very low	27.5	Very low	101 Å²	101	111.9 Å²	111.9	54%	0.54	60%	0.598	S	S	.	*	H	α-helix	trans	-73.5	-40.2	175.4	-73.4	-22.2	0	0	0	110.8	Q59 L64 N65 E66	Q59-N62 PolarHBondContact O-N 2.9Å; N62-L64 PolarHBondContact O-N 2.83Å; N62-N65 PolarHBondContact O-N 3.23Å; N62-E66 PolarHBondContact O-N 2.93Å
63	D	33	Very low	27.9	Very low	80 Å²	80	114 Å²	114	43%	0.428	60%	0.597	S	S	.	*	H	α-helix	trans	-60.9	-34.5	172.7	-64.9	-17.5	0	0	0	111.4	Q59 N65 E66 L67	Q59-D63 PolarHBondContact O-N 2.8Å; D63-N65 VanDerWaalsContact C-N 3.32Å; D63-N65 PolarHBondContact O-N 2.85Å; D63-E66 PolarHBondContact O-N 3.2Å; D63-L67 VanDerWaalsContact O-CB 3.26Å; D63-L67 WeakPolarHBondContact O-CB 3.46Å; D63-L67 WeakPolarHBondContact O-CD1 3.41Å; D63-L67 VanDerWaalsContact O-CG 3.23Å; D63-L67 WeakPolarHBondContact O-CG 3.12Å; D63-L67 PolarHBondContact O-N 2.74Å
64	L	30.2	Very low	27.9	Very low	99 Å²	99	111.2 Å²	111.2	52%	0.518	59%	0.589	S	S	.	*	H	α-helix	trans	-67.4	-31.8	175.1	-145.5	104.4	0	0	0	112.8	A60 V61 N62 K68	A60-L64 WeakPolarHBondContact O-CB 3.35Å; A60-L64 PolarHBondContact O-N 3.47Å; A60-L64 VanDerWaalsContact O-N 3.14Å; V61-L64 PolarHBondContact O-N 2.66Å; N62-L64 PolarHBondContact O-N 2.83Å; L64-K68 WeakPolarHBondContact O-CG 3.29Å; L64-K68 PolarHBondContact O-N 2.83Å; L64-K68 VanDerWaalsContact O-N 3.09Å
65	N	27.1	Very low	28	Very low	85 Å²	85	111.1 Å²	111.1	46%	0.455	58%	0.58	S	S	.	*	H	α-helix	trans	-80	-32.6	177.3	-75.8	-26.2	0	0	0	112.2	V61 N62 D63 K68 S69	V61-N65 PolarHBondContact O-N 2.96Å; N62-N65 PolarHBondContact O-N 3.23Å; D63-N65 VanDerWaalsContact C-N 3.32Å; D63-N65 PolarHBondContact O-N 2.85Å; N65-K68 PolarHBondContact O-N 2.85Å; N65-S69 PolarHBondContact O-N 2.76Å
66	E	29.2	Very low	28.2	Very low	132 Å²	132	107.6 Å²	107.6	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-70.5	-36.7	168.3	-80.6	-170.4	162.9	0	0	112	N62 D63 K68 S69 H70	N62-E66 PolarHBondContact O-N 2.93Å; D63-E66 PolarHBondContact O-N 3.2Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.34Å; E66-S69 PolarHBondContact O-N 3.27Å; E66-S69 PolarHBondContact O-OG 3.4Å; E66-H70 PolarHBondContact O-CD2 3.06Å; E66-H70 PolarHBondContact O-N 3.29Å
67	L	33.6	Very low	28.2	Very low	59 Å²	59	107.8 Å²	107.8	31%	0.309	57%	0.565	S	S	.	*	H	α-helix	trans	-62.5	-39.4	172.3	-80	164.4	0	0	0	111.2	D63 S69 H70 F71 V183	D63-L67 VanDerWaalsContact O-CB 3.26Å; D63-L67 WeakPolarHBondContact O-CB 3.46Å; D63-L67 WeakPolarHBondContact O-CD1 3.41Å; D63-L67 VanDerWaalsContact O-CG 3.23Å; D63-L67 WeakPolarHBondContact O-CG 3.12Å; D63-L67 PolarHBondContact O-N 2.74Å; L67-S69 PolarHBondContact O-N 2.75Å; L67-H70 PolarHBondContact O-N 3.13Å; L67-F71 HydrophobicContact CB-CE2 4.04Å; L67-F71 HydrophobicContact CD2-CE2 4.26Å; L67-F71 HydrophobicContact CD2-CZ 4.23Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 VanDerWaalsContact O-CE2 3.24Å; L67-F71 WeakPolarHBondContact O-CE2 3.4Å; L67-V183 HydrophobicContact CD1-CG2 4.22Å; L67-V183 HydrophobicContact CD2-CG2 4.25Å
68	K	27	Very low	28.4	Very low	136 Å²	136	103.2 Å²	103.2	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-59.9	-29.9	175.4	-82.7	174.1	-173.6	166.7	0	113.9	L64 N65 E66	L64-K68 WeakPolarHBondContact O-CG 3.29Å; L64-K68 PolarHBondContact O-N 2.83Å; L64-K68 VanDerWaalsContact O-N 3.09Å; N65-K68 PolarHBondContact O-N 2.85Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.34Å
69	S	27.1	Very low	28.3	Very low	82 Å²	82	99.8 Å²	99.8	57%	0.573	54%	0.54	S	S	*	.	H	α-helix	trans	-83.6	-18.1	179.4	63.7	0	0	0	0	113.4	N65 E66 L67	N65-S69 PolarHBondContact O-N 2.76Å; E66-S69 PolarHBondContact O-N 3.27Å; E66-S69 PolarHBondContact O-OG 3.4Å; L67-S69 PolarHBondContact O-N 2.75Å
70	H	26.7	Very low	28.7	Very low	150 Å²	150	97.2 Å²	97.2	69%	0.694	53%	0.53	S	S	*	.	H	α-helix	trans	-90.2	-9.7	179.1	-79.5	-59.6	0	0	0	114.9	E66 L67 D72	E66-H70 PolarHBondContact O-CD2 3.06Å; E66-H70 PolarHBondContact O-N 3.29Å; L67-H70 PolarHBondContact O-N 3.13Å; H70-D72 PolarHBondContact O-N 3.02Å
71	F	27.5	Very low	28.7	Very low	89 Å²	89	100.9 Å²	100.9	39%	0.39	55%	0.547	S	S	.	.			trans	-91.3	71.8	173.2	-60.3	-64.9	0	0	0	110.6	L67 H73	L67-F71 HydrophobicContact CB-CE2 4.04Å; L67-F71 HydrophobicContact CD2-CE2 4.26Å; L67-F71 HydrophobicContact CD2-CZ 4.23Å; L67-F71 WeakPolarHBondContact O-CD2 3.31Å; L67-F71 VanDerWaalsContact O-CE2 3.24Å; L67-F71 WeakPolarHBondContact O-CE2 3.4Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 2.72Å
72	D	24.3	Very low	29.1	Very low	156 Å²	156	102.4 Å²	102.4	83%	0.834	55%	0.552	S	S	*	*			trans	-60.4	103.6	156.4	-92.8	-30.5	0	0	0	107.4	H70 S74	H70-D72 PolarHBondContact O-N 3.02Å; D72-S74 PolarHBondContact O-N 2.75Å
73	H	33.7	Very low	29.2	Very low	141 Å²	141	101 Å²	101	65%	0.653	56%	0.561	S	S	*	*			trans	-58.3	97.9	-171.8	-64.2	-71.1	0	0	0	112.2	F71 E90	F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 2.72Å; H73-E90 IonicContact CG-OE2 3.86Å; H73-E90 IonicContact ND1-OE2 3.53Å
74	S	25.1	Very low	29.2	Very low	90 Å²	90	101 Å²	101	63%	0.629	56%	0.559	S	S	*	*			trans	-96	110.3	168.6	60.4	0	0	0	0	109.9	D72 V76	D72-S74 PolarHBondContact O-N 2.75Å; S74-V76 PolarHBondContact O-N 3.38Å
75	I	27.8	Very low	29.2	Very low	105 Å²	105	102.9 Å²	102.9	54%	0.538	57%	0.565	S	S	.	*			trans	-54.5	110.4	159.6	-62.8	169.4	0	0	0	106.5	D77	I75-D77 PolarHBondContact O-N 3.5Å; I75-D77 VanDerWaalsContact O-N 3.1Å
76	V	30.6	Very low	29.4	Very low	74 Å²	74	99.9 Å²	99.9	45%	0.448	55%	0.548	S	S	.	.			trans	-79.7	94.6	169.3	-172.8	0	0	0	0	106.6	S74 V78 I179	S74-V76 PolarHBondContact O-N 3.38Å; V76-V78 VanDerWaalsContact C-N 3.27Å; V76-V78 HydrophobicContact CB-CG2 4.49Å; V76-V78 HydrophobicContact CG1-CG2 3.67Å; V76-V78 PolarHBondContact O-N 3.12Å; V76-I179 HydrophobicContact CG2-CD1 4.43Å
77	D	26.8	Very low	29.5	Very low	100 Å²	100	101.4 Å²	101.4	54%	0.535	55%	0.549	S	S	.	.			trans	-66.6	91.6	164.6	-108.9	-27	0	0	0	107.5	I75 S79	I75-D77 PolarHBondContact O-N 3.5Å; I75-D77 VanDerWaalsContact O-N 3.1Å; D77-S79 PolarHBondContact O-N 3.5Å; D77-S79 VanDerWaalsContact O-N 3.16Å
78	V	31.3	Very low	29.5	Very low	43 Å²	43	100.9 Å²	100.9	26%	0.261	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	98.2	168.6	-170.1	0	0	0	0	106.6	V76 N80	V76-V78 VanDerWaalsContact C-N 3.27Å; V76-V78 HydrophobicContact CB-CG2 4.49Å; V76-V78 HydrophobicContact CG1-CG2 3.67Å; V76-V78 PolarHBondContact O-N 3.12Å; V78-N80 PolarHBondContact O-N 3.03Å; V78-N80 VanDerWaalsContact O-N 3.12Å
79	S	25.9	Very low	29.8	Very low	107 Å²	107	95.8 Å²	95.8	75%	0.748	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	107.4	166.7	47	0	0	0	0	108.3	D77	D77-S79 PolarHBondContact O-N 3.5Å; D77-S79 VanDerWaalsContact O-N 3.16Å
80	N	33.2	Very low	30	Very low	66 Å²	66	96.8 Å²	96.8	35%	0.353	52%	0.522	S	S	.	.			trans	-69.6	149.8	163.5	-166	6.7	0	0	0	108.1	V78 D82 G83 L86	V78-N80 PolarHBondContact O-N 3.03Å; V78-N80 VanDerWaalsContact O-N 3.12Å; N80-D82 PolarHBondContact O-N 2.89Å; N80-G83 PolarHBondContact O-N 3.29Å; N80-L86 HydrophobicContact CB-CD1 4.41Å
81	T	31.3	Very low	30.2	Very low	136 Å²	136	93.5 Å²	93.5	83%	0.834	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.2	-179.4	44.9	0	0	0	0	113.7
82	D	34.5	Very low	30.6	Very low	120 Å²	120	92 Å²	92	64%	0.642	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	13.9	177.8	-64.7	-22.4	0	0	0	114.7	N80 Q84	N80-D82 PolarHBondContact O-N 2.89Å; D82-Q84 PolarHBondContact O-N 3.22Å
83	G	27.2	Very low	31.3	Very low	71 Å²	71	93 Å²	93	73%	0.732	50%	0.5	S	S	*	.	S	Bend	trans	70	12.4	175.3	0	0	0	0	0	115	N80	N80-G83 PolarHBondContact O-N 3.29Å
84	Q	33.7	Very low	31.6	Very low	80 Å²	80	88 Å²	88	37%	0.374	48%	0.481	S	S	.	.			trans	-85	122	175.5	-66.4	-179.9	26.1	0	0	109.9	D82 L86 N108	D82-Q84 PolarHBondContact O-N 3.22Å; Q84-L86 PolarHBondContact O-N 2.86Å; Q84-N108 PolarHBondContact OE1-ND2 2.75Å
85	Q	30.4	Very low	32.3	Very low	138 Å²	138	86.2 Å²	86.2	65%	0.645	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	111.2	173.4	-76.2	-179.9	-19.5	0	0	109.6
86	L	29.7	Very low	32.9	Very low	22 Å²	22	86.1 Å²	86.1	12%	0.115	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111.5	170.1	-72.8	163.4	0	0	0	108.3	N80 Q84 I107	N80-L86 HydrophobicContact CB-CD1 4.41Å; Q84-L86 PolarHBondContact O-N 2.86Å; L86-I107 HydrophobicContact CD2-CB 4.29Å; L86-I107 HydrophobicContact CD2-CD1 4.36Å; L86-I107 HydrophobicContact CD2-CG1 3.85Å; L86-I107 HydrophobicContact CD2-CG2 3.84Å
87	R	32.5	Very low	33.4	Very low	165 Å²	165	83.3 Å²	83.3	62%	0.623	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	92.7	175.7	-165.2	175.9	-177.9	-180	1	109.5	S89 Y106	R87-S89 PolarHBondContact O-N 2.8Å; R87-Y106 CarbonylContact C-O 3.52Å; R87-Y106 PolarHBondContact N-O 3.41Å
88	I	33.9	Very low	34.5	Very low	48 Å²	48	84.5 Å²	84.5	25%	0.246	46%	0.455	C	S	.	.			trans	-75	121.7	171.9	-51.1	178.3	0	0	0	107.5	F92 L105	I88-F92 HydrophobicContact CG2-CD2 3.68Å; I88-F92 HydrophobicContact CG2-CE2 3.48Å; I88-F92 VanDerWaalsContact CG2-CE2 3.48Å; I88-L105 HydrophobicContact CB-CD1 4.16Å; I88-L105 HydrophobicContact CG1-CD1 3.78Å; I88-L105 HydrophobicContact CG2-CD1 4.15Å
89	S	32.5	Very low	35.2	Very low	28 Å²	28	87.1 Å²	87.1	20%	0.196	47%	0.465	C	S	.	.			trans	-71.2	130.6	174.6	54.6	0	0	0	0	110.2	R87 T91 N104	R87-S89 PolarHBondContact O-N 2.8Å; S89-T91 VanDerWaalsContact C-N 3.25Å; S89-T91 PolarHBondContact O-N 2.8Å; S89-N104 PolarHBondContact OG-O 2.77Å
90	E	32	Very low	36.2	Very low	103 Å²	103	83.8 Å²	83.8	48%	0.481	44%	0.438	S	S	.	.	S	Bend	trans	-61.5	-21.6	-171.4	-70.1	172.5	163.6	0	0	115.4	H73 F92	H73-E90 IonicContact CG-OE2 3.86Å; H73-E90 IonicContact ND1-OE2 3.53Å; E90-F92 PolarHBondContact O-N 3.19Å
91	T	31.1	Very low	37.1	Very low	82 Å²	82	81.5 Å²	81.5	50%	0.503	43%	0.426	S	S	.	.			trans	-80.1	75.1	177.3	26.9	0	0	0	0	110.5	S89 Y93	S89-T91 VanDerWaalsContact C-N 3.25Å; S89-T91 PolarHBondContact O-N 2.8Å; T91-Y93 PolarHBondContact O-N 2.95Å
92	F	35.7	Very low	38	Very low	58 Å²	58	76.2 Å²	76.2	25%	0.254	39%	0.392	S	S	.	.			trans	-93.8	48.4	-173.7	-135.6	-89	0	0	0	112.9	I88 E90 P94 W103 F178	I88-F92 HydrophobicContact CG2-CD2 3.68Å; I88-F92 HydrophobicContact CG2-CE2 3.48Å; I88-F92 VanDerWaalsContact CG2-CE2 3.48Å; E90-F92 PolarHBondContact O-N 3.19Å; F92-P94 WeakPolarHBondContact O-CD 3.42Å; F92-W103 AromaticContact CD1-CD1 3.84Å; F92-W103 AromaticContact CD1-NE1 3.76Å; F92-W103 AromaticContact CE1-CD1 3.2Å; F92-W103 HydrophobicContact CE1-CG 4.04Å; F92-W103 AromaticContact CE1-NE1 3.22Å; F92-W103 HydrophobicContact CZ-CB 4.3Å; F92-W103 AromaticContact CZ-CD1 3.34Å; F92-W103 AromaticContact CZ-CG 3.88Å; F92-W103 HydrophobicContact CZ-CG 3.88Å; F92-W103 AromaticContact CZ-NE1 3.85Å; F92-F178 HydrophobicContact CD1-CD1 4.23Å; F92-F178 HydrophobicContact CE1-CB 4.39Å; F92-F178 AromaticContact CE1-CD1 3.18Å; F92-F178 HydrophobicContact CE1-CD1 3.18Å; F92-F178 AromaticContact CE1-CE1 3.67Å; F92-F178 HydrophobicContact CE1-CE1 3.67Å; F92-F178 AromaticContact CE1-CG 3.99Å; F92-F178 HydrophobicContact CE1-CG 3.99Å; F92-F178 AromaticContact CE2-CD1 3.99Å; F92-F178 HydrophobicContact CE2-CD1 3.99Å; F92-F178 HydrophobicContact CE2-CE1 4.04Å; F92-F178 AromaticContact CZ-CD1 3.08Å; F92-F178 HydrophobicContact CZ-CD1 3.08Å; F92-F178 AromaticContact CZ-CE1 3.13Å; F92-F178 HydrophobicContact CZ-CE1 3.13Å; F92-F178 HydrophobicContact CZ-CG 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.33Å
93	Y	38	Very low	39	Very low	175 Å²	175	71.7 Å²	71.7	69%	0.686	37%	0.366	S	S	*	.			trans	-92.4	116.3	170.9	-62.7	-74.5	0	0	0	108.3	T91 V95	T91-Y93 PolarHBondContact O-N 2.95Å; Y93-V95 PolarHBondContact O-N 3.39Å
94	P	40.4	Very low	40	Very low	38 Å²	38	71.1 Å²	71.1	25%	0.247	35%	0.347	C	S	.	.			trans	-59.1	113.3	164	25.8	-30.5	0	0	0	106.9	F92 N96 L101 W103 M215	F92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-N96 PolarHBondContact O-N 2.88Å; P94-L101 HydrophobicContact CB-CB 4.06Å; P94-L101 HydrophobicContact CB-CD2 3.68Å; P94-L101 HydrophobicContact CB-CG 4.34Å; P94-L101 HydrophobicContact CG-CD2 4.37Å; P94-W103 HydrophobicContact CB-CZ2 3.89Å; P94-M215 HydrophobicContact CG-CE 4.46Å
95	V	39.5	Very low	40.7	Very low	51 Å²	51	67.5 Å²	67.5	31%	0.309	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	111.7	172.2	-171.4	0	0	0	0	104.9	A9 Y93 V97	A9-V95 HydrophobicContact CB-CB 4.26Å; A9-V95 HydrophobicContact CB-CG1 3.92Å; A9-V95 HydrophobicContact CB-CG2 3.49Å; A9-V95 VanDerWaalsContact CB-CG2 3.49Å; Y93-V95 PolarHBondContact O-N 3.39Å; V95-V97 VanDerWaalsContact C-N 3.27Å; V95-V97 HydrophobicContact CB-CG2 4Å; V95-V97 HydrophobicContact CG1-CG2 3.4Å; V95-V97 VanDerWaalsContact CG1-CG2 3.4Å; V95-V97 PolarHBondContact O-N 3.18Å
96	N	40.3	Very low	41.4	Very low	104 Å²	104	65 Å²	65	56%	0.556	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	93.2	166.6	-175.3	-15.1	0	0	0	107.6	P94 E99 L100	P94-N96 PolarHBondContact O-N 2.88Å; N96-E99 WeakPolarHBondContact OD1-CA 3.48Å; N96-E99 PolarHBondContact OD1-N 3.33Å; N96-L100 WeakPolarHBondContact CA-O 3.43Å
97	V	41.9	Very low	42.2	Very low	14 Å²	14	64.8 Å²	64.8	9%	0.085	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109	170.4	-176	0	0	0	0	106.9	T11 V95 E99 L100 I102	T11-V97 HydrophobicContact CG2-CG1 3.94Å; T11-V97 HydrophobicContact CG2-CG2 3.97Å; V95-V97 VanDerWaalsContact C-N 3.27Å; V95-V97 HydrophobicContact CB-CG2 4Å; V95-V97 HydrophobicContact CG1-CG2 3.4Å; V95-V97 VanDerWaalsContact CG1-CG2 3.4Å; V95-V97 PolarHBondContact O-N 3.18Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 3.47Å; V97-L100 PolarHBondContact N-O 3.14Å; V97-L100 VanDerWaalsContact N-O 3.12Å; V97-L100 VanDerWaalsContact O-CB 3.3Å; V97-L100 WeakPolarHBondContact O-CB 3.42Å; V97-L100 PolarHBondContact O-N 3.36Å; V97-I102 HydrophobicContact CB-CD1 4.26Å; V97-I102 HydrophobicContact CG2-CD1 4.32Å
98	N	48.7	Very low	42.8	Very low	126 Å²	126	60.9 Å²	60.9	67%	0.674	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	47.2	-179.4	-54.3	-25.1	0	0	0	112.3	L100	N98-L100 PolarHBondContact O-N 2.65Å; N98-L100 VanDerWaalsContact O-N 3.12Å
99	E	46.5	Very low	43.6	Very low	97 Å²	97	66 Å²	66	45%	0.453	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	5.6	-180	-55.3	167.8	150.1	0	0	114.9	N96 V97 P118 E119	N96-E99 WeakPolarHBondContact OD1-CA 3.48Å; N96-E99 PolarHBondContact OD1-N 3.33Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 3.47Å; E99-P118 WeakPolarHBondContact O-CD 2.9Å; E99-E119 HydrophobicContact CB-CG 4.09Å
100	L	47.5	Very low	44.5	Very low	37 Å²	37	71.1 Å²	71.1	19%	0.194	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.9	171.7	-56.5	177.3	0	0	0	110.3	N96 V97 N98 I102 I115 C117	N96-L100 WeakPolarHBondContact CA-O 3.43Å; V97-L100 PolarHBondContact N-O 3.14Å; V97-L100 VanDerWaalsContact N-O 3.12Å; V97-L100 VanDerWaalsContact O-CB 3.3Å; V97-L100 WeakPolarHBondContact O-CB 3.42Å; V97-L100 PolarHBondContact O-N 3.36Å; N98-L100 PolarHBondContact O-N 2.65Å; N98-L100 VanDerWaalsContact O-N 3.12Å; L100-I102 HydrophobicContact CB-CG1 4.3Å; L100-I115 HydrophobicContact CB-CG2 4.18Å; L100-I115 HydrophobicContact CD1-CG2 4.35Å; L100-I115 HydrophobicContact CD2-CG2 4.4Å; L100-C117 HydrophobicContact CD2-CB 3.52Å; L100-C117 WeakPolarHBondContact CD2-SG 3.35Å
101	L	52.8	Low	45.9	Very low	18 Å²	18	69.9 Å²	69.9	9%	0.094	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117	169.3	-53.6	172.6	0	0	0	107.7	P94 W103 I115 I116 P118 M211	P94-L101 HydrophobicContact CB-CB 4.06Å; P94-L101 HydrophobicContact CB-CD2 3.68Å; P94-L101 HydrophobicContact CB-CG 4.34Å; P94-L101 HydrophobicContact CG-CD2 4.37Å; L101-W103 HydrophobicContact CB-CH2 3.59Å; L101-W103 HydrophobicContact CB-CZ2 4.13Å; L101-W103 HydrophobicContact CB-CZ3 3.78Å; L101-W103 HydrophobicContact CD1-CH2 3.89Å; L101-W103 HydrophobicContact CD1-CZ2 4.45Å; L101-W103 HydrophobicContact CG-CH2 4.39Å; L101-I115 CarbonylContact O-C 3.15Å; L101-I115 WeakPolarHBondContact O-CA 3.24Å; L101-I116 HydrophobicContact CB-CB 4.36Å; L101-I116 PolarHBondContact N-O 3.44Å; L101-I116 PolarHBondContact O-N 3.24Å; L101-P118 HydrophobicContact CD1-CG 4.16Å; L101-P118 HydrophobicContact CG-CG 4.23Å; L101-M211 HydrophobicContact CD1-CE 3.69Å; L101-M211 HydrophobicContact CD1-CG 4.32Å; L101-M211 HydrophobicContact CD1-SD 3.14Å; L101-M211 WeakPolarHBondContact CD1-SD 3.25Å
102	I	48.7	Very low	47	Very low	25 Å²	25	66.6 Å²	66.6	13%	0.128	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128	-176.7	-56.2	171	0	0	0	108.5	V97 L100 E113 I115	V97-I102 HydrophobicContact CB-CD1 4.26Å; V97-I102 HydrophobicContact CG2-CD1 4.32Å; L100-I102 HydrophobicContact CB-CG1 4.3Å; I102-E113 HydrophobicContact CG2-CG 3.98Å; I102-I115 HydrophobicContact CG1-CG1 4.35Å; I102-I115 HydrophobicContact CG1-CG2 4.2Å; I102-I115 HydrophobicContact CG2-CG1 4.46Å
103	W	55.8	Low	48.2	Very low	25 Å²	25	65.7 Å²	65.7	10%	0.095	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.4	172.2	-63.6	-77.7	0	0	0	110.6	F92 P94 L101 E113 I114 I116	F92-W103 AromaticContact CD1-CD1 3.84Å; F92-W103 AromaticContact CD1-NE1 3.76Å; F92-W103 AromaticContact CE1-CD1 3.2Å; F92-W103 HydrophobicContact CE1-CG 4.04Å; F92-W103 AromaticContact CE1-NE1 3.22Å; F92-W103 HydrophobicContact CZ-CB 4.3Å; F92-W103 AromaticContact CZ-CD1 3.34Å; F92-W103 AromaticContact CZ-CG 3.88Å; F92-W103 HydrophobicContact CZ-CG 3.88Å; F92-W103 AromaticContact CZ-NE1 3.85Å; P94-W103 HydrophobicContact CB-CZ2 3.89Å; L101-W103 HydrophobicContact CB-CH2 3.59Å; L101-W103 HydrophobicContact CB-CZ2 4.13Å; L101-W103 HydrophobicContact CB-CZ3 3.78Å; L101-W103 HydrophobicContact CD1-CH2 3.89Å; L101-W103 HydrophobicContact CD1-CZ2 4.45Å; L101-W103 HydrophobicContact CG-CH2 4.39Å; W103-E113 CarbonylContact O-C 3.43Å; W103-E113 WeakPolarHBondContact O-CA 3.47Å; W103-I114 HydrophobicContact CB-CB 4.36Å; W103-I114 HydrophobicContact CE3-CB 4.32Å; W103-I114 HydrophobicContact CE3-CG2 4.05Å; W103-I114 PolarHBondContact N-O 2.93Å; W103-I114 PolarHBondContact O-N 3.26Å; W103-I116 HydrophobicContact CE3-CD1 4.44Å; W103-I116 HydrophobicContact CE3-CG1 4.43Å; W103-I116 HydrophobicContact CH2-CB 4.28Å; W103-I116 HydrophobicContact CH2-CD1 3.59Å; W103-I116 HydrophobicContact CH2-CG1 4.15Å; W103-I116 HydrophobicContact CZ3-CB 3.76Å; W103-I116 HydrophobicContact CZ3-CD1 3.32Å; W103-I116 HydrophobicContact CZ3-CG1 3.46Å; W103-I116 VanDerWaalsContact CZ3-CG1 3.46Å
104	N	49	Very low	49.3	Very low	60 Å²	60	57.4 Å²	57.4	32%	0.321	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.3	172.8	-75	-49.7	0	0	0	108.5	S89 L111	S89-N104 PolarHBondContact OG-O 2.77Å; N104-L111 HydrophobicContact CB-CD1 3.87Å
105	L	48.6	Very low	50.1	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.6	-173.6	-179.8	73.8	0	0	0	111	I88 I107 L111 N112 Y176	I88-L105 HydrophobicContact CB-CD1 4.16Å; I88-L105 HydrophobicContact CG1-CD1 3.78Å; I88-L105 HydrophobicContact CG2-CD1 4.15Å; L105-I107 HydrophobicContact CD2-CD1 3.8Å; L105-I107 HydrophobicContact CD2-CG1 3.66Å; L105-I107 HydrophobicContact CG-CG1 4.05Å; L105-L111 CarbonylContact O-C 3.58Å; L105-L111 WeakPolarHBondContact O-CA 3.13Å; L105-N112 PolarHBondContact N-O 2.7Å; L105-N112 PolarHBondContact O-N 2.87Å; L105-Y176 HydrophobicContact CD2-CD1 3.33Å; L105-Y176 HydrophobicContact CD2-CE1 3.04Å
106	Y	45.3	Very low	50.9	Low	84 Å²	84	54.3 Å²	54.3	33%	0.329	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.6	172.6	-74.6	-94.6	0	0	0	111.5	R87 K110 L111	R87-Y106 CarbonylContact C-O 3.52Å; R87-Y106 PolarHBondContact N-O 3.41Å; Y106-K110 CarbonylContact C-O 3.55Å; Y106-K110 WeakPolarHBondContact CA-O 3.22Å; Y106-L111 HydrophobicContact CD1-CB 4.21Å; Y106-L111 HydrophobicContact CD2-CD1 4.08Å; Y106-L111 HydrophobicContact CE1-CB 3.77Å; Y106-L111 HydrophobicContact CE1-CD1 4.27Å; Y106-L111 HydrophobicContact CE2-CD1 3.62Å
107	I	45	Very low	51.7	Low	18 Å²	18	50 Å²	50	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.5	173.8	-52.5	174.2	0	0	0	107.8	L86 L105 N109 K110 N112 Y176	L86-I107 HydrophobicContact CD2-CB 4.29Å; L86-I107 HydrophobicContact CD2-CD1 4.36Å; L86-I107 HydrophobicContact CD2-CG1 3.85Å; L86-I107 HydrophobicContact CD2-CG2 3.84Å; L105-I107 HydrophobicContact CD2-CD1 3.8Å; L105-I107 HydrophobicContact CD2-CG1 3.66Å; L105-I107 HydrophobicContact CG-CG1 4.05Å; I107-N109 VanDerWaalsContact C-N 3.25Å; I107-N109 PolarHBondContact O-N 2.72Å; I107-K110 PolarHBondContact N-O 3.11Å; I107-K110 WeakPolarHBondContact O-CA 3.41Å; I107-K110 VanDerWaalsContact O-CB 3.29Å; I107-K110 WeakPolarHBondContact O-CB 3.33Å; I107-K110 PolarHBondContact O-N 2.77Å; I107-N112 WeakPolarHBondContact CD1-ND2 3.25Å; I107-N112 WeakPolarHBondContact CG1-ND2 3.22Å; I107-Y176 HydrophobicContact CD1-CE1 3.69Å; I107-Y176 WeakPolarHBondContact CD1-OH 3.24Å
108	N	45.6	Very low	52.1	Low	84 Å²	84	49.6 Å²	49.6	45%	0.449	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	45.7	-179.6	-58.2	-34.2	0	0	0	112.8	Q84 K110	Q84-N108 PolarHBondContact OE1-ND2 2.75Å; N108-K110 PolarHBondContact O-N 3.49Å; N108-K110 VanDerWaalsContact O-N 3.09Å
109	N	50.9	Low	52.1	Low	155 Å²	155	47.9 Å²	47.9	83%	0.829	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	7.1	-174	-59.5	-33.1	0	0	0	116.2	I107	I107-N109 VanDerWaalsContact C-N 3.25Å; I107-N109 PolarHBondContact O-N 2.72Å
110	K	50.5	Low	52.5	Low	135 Å²	135	46.6 Å²	46.6	59%	0.587	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95	125.5	172	-173.2	-179.9	177.5	-176.4	0	110.1	Y106 I107 N108 N112	Y106-K110 CarbonylContact C-O 3.55Å; Y106-K110 WeakPolarHBondContact CA-O 3.22Å; I107-K110 PolarHBondContact N-O 3.11Å; I107-K110 WeakPolarHBondContact O-CA 3.41Å; I107-K110 VanDerWaalsContact O-CB 3.29Å; I107-K110 WeakPolarHBondContact O-CB 3.33Å; I107-K110 PolarHBondContact O-N 2.77Å; N108-K110 PolarHBondContact O-N 3.49Å; N108-K110 VanDerWaalsContact O-N 3.09Å; K110-N112 PolarHBondContact O-ND2 2.74Å
111	L	61.6	Low	52.7	Low	78 Å²	78	48.1 Å²	48.1	41%	0.408	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.6	169.6	178	65.2	0	0	0	109.5	N104 L105 Y106	N104-L111 HydrophobicContact CB-CD1 3.87Å; L105-L111 CarbonylContact O-C 3.58Å; L105-L111 WeakPolarHBondContact O-CA 3.13Å; Y106-L111 HydrophobicContact CD1-CB 4.21Å; Y106-L111 HydrophobicContact CD2-CD1 4.08Å; Y106-L111 HydrophobicContact CE1-CB 3.77Å; Y106-L111 HydrophobicContact CE1-CD1 4.27Å; Y106-L111 HydrophobicContact CE2-CD1 3.62Å
112	N	54.7	Low	52.8	Low	13 Å²	13	49.7 Å²	49.7	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.8	172.7	-59	-81.6	0	0	0	109.1	L105 I107 K110 L125 N126	L105-N112 PolarHBondContact N-O 2.7Å; L105-N112 PolarHBondContact O-N 2.87Å; I107-N112 WeakPolarHBondContact CD1-ND2 3.25Å; I107-N112 WeakPolarHBondContact CG1-ND2 3.22Å; K110-N112 PolarHBondContact O-ND2 2.74Å; N112-L125 HydrophobicContact CB-CD1 4.07Å; N112-N126 WeakPolarHBondContact CA-OD1 3.24Å; N112-N126 PolarHBondContact OD1-ND2 3Å
113	E	61.7	Low	53.3	Low	39 Å²	39	48.6 Å²	48.6	18%	0.182	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.3	176	-175	-178.5	60.1	0	0	109.1	I102 W103 I115 L125 N126	I102-E113 HydrophobicContact CG2-CG 3.98Å; W103-E113 CarbonylContact O-C 3.43Å; W103-E113 WeakPolarHBondContact O-CA 3.47Å; E113-I115 HydrophobicContact CG-CD1 4.41Å; E113-I115 HydrophobicContact CG-CG1 3.95Å; E113-L125 CarbonylContact O-C 3.51Å; E113-L125 VanDerWaalsContact O-CA 3.28Å; E113-L125 WeakPolarHBondContact O-CA 3.27Å; E113-N126 PolarHBondContact N-OD1 2.75Å; E113-N126 PolarHBondContact O-N 2.84Å
114	I	59.7	Low	53.5	Low	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121	170.5	-58.1	174.5	0	0	0	107.6	W103 I123 W124 L125 F152 Y176 F178	W103-I114 HydrophobicContact CB-CB 4.36Å; W103-I114 HydrophobicContact CE3-CB 4.32Å; W103-I114 HydrophobicContact CE3-CG2 4.05Å; W103-I114 PolarHBondContact N-O 2.93Å; W103-I114 PolarHBondContact O-N 3.26Å; I114-I123 HydrophobicContact CG2-CG2 3.93Å; I114-W124 CarbonylContact C-O 3.49Å; I114-W124 VanDerWaalsContact CA-O 3.27Å; I114-W124 WeakPolarHBondContact CA-O 3.45Å; I114-L125 HydrophobicContact CG1-CD1 3.76Å; I114-F152 HydrophobicContact CG2-CZ 4.38Å; I114-Y176 HydrophobicContact CD1-CD1 4.46Å; I114-Y176 HydrophobicContact CD1-CD2 4.44Å; I114-Y176 HydrophobicContact CD1-CE2 4.37Å; I114-Y176 HydrophobicContact CD1-CG 4.37Å; I114-F178 HydrophobicContact CD1-CZ 4.41Å
115	I	57.7	Low	54.1	Low	22 Å²	22	49.5 Å²	49.5	11%	0.113	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.7	173.9	-49.7	176.4	0	0	0	108	L100 L101 I102 E113 I123 W124	L100-I115 HydrophobicContact CB-CG2 4.18Å; L100-I115 HydrophobicContact CD1-CG2 4.35Å; L100-I115 HydrophobicContact CD2-CG2 4.4Å; L101-I115 CarbonylContact O-C 3.15Å; L101-I115 WeakPolarHBondContact O-CA 3.24Å; I102-I115 HydrophobicContact CG1-CG1 4.35Å; I102-I115 HydrophobicContact CG1-CG2 4.2Å; I102-I115 HydrophobicContact CG2-CG1 4.46Å; E113-I115 HydrophobicContact CG-CD1 4.41Å; E113-I115 HydrophobicContact CG-CG1 3.95Å; I115-I123 CarbonylContact O-C 3.06Å; I115-I123 VanDerWaalsContact O-CA 3.26Å; I115-I123 WeakPolarHBondContact O-CA 3.36Å; I115-W124 HydrophobicContact CB-CB 4.11Å; I115-W124 PolarHBondContact N-O 2.83Å; I115-W124 PolarHBondContact O-N 3.26Å
116	I	56.5	Low	54.8	Low	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.9	164.4	-66	176.5	0	0	0	107.6	L101 W103 P118 I123 L150 M207	L101-I116 HydrophobicContact CB-CB 4.36Å; L101-I116 PolarHBondContact N-O 3.44Å; L101-I116 PolarHBondContact O-N 3.24Å; W103-I116 HydrophobicContact CE3-CD1 4.44Å; W103-I116 HydrophobicContact CE3-CG1 4.43Å; W103-I116 HydrophobicContact CH2-CB 4.28Å; W103-I116 HydrophobicContact CH2-CD1 3.59Å; W103-I116 HydrophobicContact CH2-CG1 4.15Å; W103-I116 HydrophobicContact CZ3-CB 3.76Å; W103-I116 HydrophobicContact CZ3-CD1 3.32Å; W103-I116 HydrophobicContact CZ3-CG1 3.46Å; W103-I116 VanDerWaalsContact CZ3-CG1 3.46Å; I116-P118 HydrophobicContact CG2-CG 4.5Å; I116-P118 WeakPolarHBondContact O-CD 3.28Å; I116-I123 HydrophobicContact CD1-CD1 3.98Å; I116-I123 HydrophobicContact CG1-CB 4.28Å; I116-I123 HydrophobicContact CG1-CD1 3.83Å; I116-I123 HydrophobicContact CG1-CG1 3.84Å; I116-I123 HydrophobicContact CG1-CG2 3.74Å; I116-L150 HydrophobicContact CD1-CD1 4.04Å; I116-M207 HydrophobicContact CD1-CE 4.07Å; I116-M207 HydrophobicContact CG2-CE 4.22Å
117	C	57.6	Low	55.7	Low	13 Å²	13	51.9 Å²	51.9	9%	0.088	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	99.5	167.8	-175.9	0	0	0	0	107.8	L100 E119 T120 Y121 Q122	L100-C117 HydrophobicContact CD2-CB 3.52Å; L100-C117 WeakPolarHBondContact CD2-SG 3.35Å; C117-E119 PolarHBondContact O-N 2.78Å; C117-T120 VanDerWaalsContact CB-OG1 3.31Å; C117-T120 WeakPolarHBondContact CB-OG1 3.41Å; C117-T120 PolarHBondContact O-N 2.8Å; C117-T120 PolarHBondContact SG-N 2.83Å; C117-T120 PolarHBondContact SG-OG1 2.84Å; C117-Y121 WeakPolarHBondContact O-CA 3.48Å; C117-Y121 PolarHBondContact O-N 3.33Å; C117-Q122 HydrophobicContact CB-CB 4.45Å; C117-Q122 PolarHBondContact N-O 3.2Å; C117-Q122 PolarHBondContact O-N 2.86Å
118	P	49.9	Very low	56.4	Low	7 Å²	7	56.3 Å²	56.3	5%	0.045	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.5	177.3	-17.3	32.3	0	0	0	112	E99 L101 I116 Y121 K208 M211	E99-P118 WeakPolarHBondContact O-CD 2.9Å; L101-P118 HydrophobicContact CD1-CG 4.16Å; L101-P118 HydrophobicContact CG-CG 4.23Å; I116-P118 HydrophobicContact CG2-CG 4.5Å; I116-P118 WeakPolarHBondContact O-CD 3.28Å; P118-Y121 WeakPolarHBondContact O-CD1 3.3Å; P118-Y121 WeakPolarHBondContact O-CE1 3.39Å; P118-K208 HydrophobicContact CB-CB 3.72Å; P118-K208 HydrophobicContact CB-CD 4Å; P118-K208 HydrophobicContact CB-CG 3.68Å; P118-M211 HydrophobicContact CB-CE 3.81Å; P118-M211 HydrophobicContact CG-CE 3.68Å
119	E	48.3	Very low	57.1	Low	90 Å²	90	57.5 Å²	57.5	42%	0.421	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-49	-180	-61	-124	106.4	0	0	113	E99 C117 K208	E99-E119 HydrophobicContact CB-CG 4.09Å; C117-E119 PolarHBondContact O-N 2.78Å; E119-K208 IonicContact OE1-NZ 3.78Å; E119-K208 PolarHBondContact OE1-NZ 3.26Å
120	T	54.4	Low	57.3	Low	69 Å²	69	51 Å²	51	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.2	-175.7	63.3	0	0	0	0	112.4	C117 Q122	C117-T120 VanDerWaalsContact CB-OG1 3.31Å; C117-T120 WeakPolarHBondContact CB-OG1 3.41Å; C117-T120 PolarHBondContact O-N 2.8Å; C117-T120 PolarHBondContact SG-N 2.83Å; C117-T120 PolarHBondContact SG-OG1 2.84Å; T120-Q122 WeakPolarHBondContact O-CG 3.47Å; T120-Q122 PolarHBondContact O-N 3.42Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.5Å; T120-Q122 VanDerWaalsContact OG1-CG 3.27Å; T120-Q122 WeakPolarHBondContact OG1-CG 3.24Å
121	Y	51.8	Low	57.5	Low	70 Å²	70	51.9 Å²	51.9	28%	0.275	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	39.2	-176	-46.1	-51.7	0	0	0	111.2	C117 P118 P201 L204 K205	C117-Y121 WeakPolarHBondContact O-CA 3.48Å; C117-Y121 PolarHBondContact O-N 3.33Å; P118-Y121 WeakPolarHBondContact O-CD1 3.3Å; P118-Y121 WeakPolarHBondContact O-CE1 3.39Å; Y121-P201 HydrophobicContact CD2-CB 3.71Å; Y121-P201 HydrophobicContact CE2-CB 4.32Å; Y121-P201 HydrophobicContact CG-CB 4.24Å; Y121-L204 HydrophobicContact CD1-CB 3.28Å; Y121-L204 HydrophobicContact CE1-CB 4.2Å; Y121-L204 HydrophobicContact CG-CB 3.69Å; Y121-L204 WeakPolarHBondContact O-CD1 3.44Å; Y121-K205 HydrophobicContact CE1-CB 3.62Å; Y121-K205 HydrophobicContact CE1-CG 4.31Å; Y121-K205 VanDerWaalsContact OH-CB 3.29Å; Y121-K205 WeakPolarHBondContact OH-CB 3.33Å; Y121-K205 VanDerWaalsContact OH-CG 3.25Å; Y121-K205 WeakPolarHBondContact OH-CG 3.03Å
122	Q	56.5	Low	56.9	Low	50 Å²	50	53 Å²	53	23%	0.234	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.1	-177.8	-63	-178.6	8.3	0	0	109.9	C117 T120	C117-Q122 HydrophobicContact CB-CB 4.45Å; C117-Q122 PolarHBondContact N-O 3.2Å; C117-Q122 PolarHBondContact O-N 2.86Å; T120-Q122 WeakPolarHBondContact O-CG 3.47Å; T120-Q122 PolarHBondContact O-N 3.42Å; T120-Q122 WeakPolarHBondContact OG1-CB 3.5Å; T120-Q122 VanDerWaalsContact OG1-CG 3.27Å; T120-Q122 WeakPolarHBondContact OG1-CG 3.24Å
123	I	59.1	Low	56.7	Low	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.9	171	-45	-171.6	0	0	0	107.9	I114 I115 I116 V130 I133 F152	I114-I123 HydrophobicContact CG2-CG2 3.93Å; I115-I123 CarbonylContact O-C 3.06Å; I115-I123 VanDerWaalsContact O-CA 3.26Å; I115-I123 WeakPolarHBondContact O-CA 3.36Å; I116-I123 HydrophobicContact CD1-CD1 3.98Å; I116-I123 HydrophobicContact CG1-CB 4.28Å; I116-I123 HydrophobicContact CG1-CD1 3.83Å; I116-I123 HydrophobicContact CG1-CG1 3.84Å; I116-I123 HydrophobicContact CG1-CG2 3.74Å; I123-V130 PolarHBondContact O-N 3.18Å; I123-I133 HydrophobicContact CB-CD1 3.38Å; I123-I133 HydrophobicContact CD1-CD1 3.5Å; I123-I133 VanDerWaalsContact CD1-CD1 3.5Å; I123-I133 HydrophobicContact CD1-CG2 4.15Å; I123-I133 HydrophobicContact CG1-CD1 3.51Å; I123-I133 HydrophobicContact CG2-CD1 4.24Å; I123-F152 HydrophobicContact CB-CE1 4.39Å; I123-F152 HydrophobicContact CG2-CE1 3.69Å; I123-F152 HydrophobicContact CG2-CZ 4.17Å
124	W	58.9	Low	56.1	Low	84 Å²	84	53.8 Å²	53.8	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.6	-179.9	-58	69	0	0	0	108.9	I114 I115 N127 Q128 K129	I114-W124 CarbonylContact C-O 3.49Å; I114-W124 VanDerWaalsContact CA-O 3.27Å; I114-W124 WeakPolarHBondContact CA-O 3.45Å; I115-W124 HydrophobicContact CB-CB 4.11Å; I115-W124 PolarHBondContact N-O 2.83Å; I115-W124 PolarHBondContact O-N 3.26Å; W124-N127 WeakPolarHBondContact CZ3-O 3.26Å; W124-Q128 CarbonylContact C-O 3.55Å; W124-Q128 WeakPolarHBondContact CA-O 3.4Å; W124-K129 HydrophobicContact CD2-CB 4.29Å; W124-K129 HydrophobicContact CE3-CB 4.23Å; W124-K129 HydrophobicContact CH2-CB 4.34Å; W124-K129 HydrophobicContact CZ2-CB 4.39Å; W124-K129 HydrophobicContact CZ3-CB 4.26Å
125	L	61.1	Low	55.4	Low	20 Å²	20	53.9 Å²	53.9	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120	168.8	179.6	69.5	0	0	0	107.3	N112 E113 I114 N127 Q128 V130	N112-L125 HydrophobicContact CB-CD1 4.07Å; E113-L125 CarbonylContact O-C 3.51Å; E113-L125 VanDerWaalsContact O-CA 3.28Å; E113-L125 WeakPolarHBondContact O-CA 3.27Å; I114-L125 HydrophobicContact CG1-CD1 3.76Å; L125-N127 VanDerWaalsContact C-N 3.31Å; L125-N127 PolarHBondContact O-N 3.48Å; L125-Q128 PolarHBondContact N-O 2.95Å; L125-Q128 WeakPolarHBondContact O-CB 3.21Å; L125-Q128 PolarHBondContact O-N 2.99Å; L125-V130 HydrophobicContact CB-CG2 3.64Å
126	N	63.7	Low	54.9	Low	54 Å²	54	55.5 Å²	55.5	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.4	-179.6	-64.2	-36.9	0	0	0	114	N112 E113 Q128	N112-N126 WeakPolarHBondContact CA-OD1 3.24Å; N112-N126 PolarHBondContact OD1-ND2 3Å; E113-N126 PolarHBondContact N-OD1 2.75Å; E113-N126 PolarHBondContact O-N 2.84Å; N126-Q128 PolarHBondContact O-N 2.89Å
127	N	64.6	Low	54.3	Low	84 Å²	84	56.6 Å²	56.6	45%	0.449	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.1	-174	-51.6	-73.1	0	0	0	115.3	R12 W124 L125	R12-N127 PolarHBondContact NH1-OD1 3.09Å; W124-N127 WeakPolarHBondContact CZ3-O 3.26Å; L125-N127 VanDerWaalsContact C-N 3.31Å; L125-N127 PolarHBondContact O-N 3.48Å
128	Q	60.3	Low	53.7	Low	112 Å²	112	57.5 Å²	57.5	52%	0.523	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.8	169.2	-64.4	-176.3	-21.9	0	0	110.1	W124 L125 N126 V130	W124-Q128 CarbonylContact C-O 3.55Å; W124-Q128 WeakPolarHBondContact CA-O 3.4Å; L125-Q128 PolarHBondContact N-O 2.95Å; L125-Q128 WeakPolarHBondContact O-CB 3.21Å; L125-Q128 PolarHBondContact O-N 2.99Å; N126-Q128 PolarHBondContact O-N 2.89Å; Q128-V130 PolarHBondContact O-N 2.98Å
129	K	60.1	Low	53.3	Low	108 Å²	108	58.4 Å²	58.4	47%	0.47	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	119.8	174.3	-178.8	173.4	178.8	171	0	109.4	W124	W124-K129 HydrophobicContact CD2-CB 4.29Å; W124-K129 HydrophobicContact CE3-CB 4.23Å; W124-K129 HydrophobicContact CH2-CB 4.34Å; W124-K129 HydrophobicContact CZ2-CB 4.39Å; W124-K129 HydrophobicContact CZ3-CB 4.26Å
130	V	54.9	Low	53	Low	18 Å²	18	58.4 Å²	58.4	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.6	175.4	-167.6	0	0	0	0	108.9	I123 L125 Q128 I133 F152	I123-V130 PolarHBondContact O-N 3.18Å; L125-V130 HydrophobicContact CB-CG2 3.64Å; Q128-V130 PolarHBondContact O-N 2.98Å; V130-I133 HydrophobicContact CB-CD1 3.98Å; V130-I133 HydrophobicContact CB-CG1 4.3Å; V130-I133 HydrophobicContact CG1-CD1 4.18Å; V130-I133 HydrophobicContact CG1-CG1 3.96Å; V130-F152 HydrophobicContact CB-CD1 4.21Å; V130-F152 HydrophobicContact CG1-CB 4.28Å; V130-F152 HydrophobicContact CG1-CD1 3.71Å; V130-F152 HydrophobicContact CG1-CG 4.45Å; V130-F152 HydrophobicContact CG2-CD1 4.34Å
131	K	55	Low	52.3	Low	154 Å²	154	63.8 Å²	63.8	67%	0.67	29%	0.294	S	S	*	.			trans	-107.4	156.8	172.9	-62.7	178.9	-178	174.6	0	108.1
132	N	49.2	Very low	52.1	Low	102 Å²	102	69.7 Å²	69.7	55%	0.545	32%	0.324	S	S	.	.	S	Bend	trans	56.5	73.2	177	-57.1	-13	0	0	0	113.6	E153	N132-E153 HydrophobicContact CB-CB 4.42Å; N132-E153 PolarHBondContact O-N 3.14Å
133	I	49.5	Very low	51.5	Low	19 Å²	19	72.8 Å²	72.8	10%	0.097	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	-177.4	-51.3	172.8	0	0	0	108.4	I123 V130 V135 F152 L199	I123-I133 HydrophobicContact CB-CD1 3.38Å; I123-I133 HydrophobicContact CD1-CD1 3.5Å; I123-I133 VanDerWaalsContact CD1-CD1 3.5Å; I123-I133 HydrophobicContact CD1-CG2 4.15Å; I123-I133 HydrophobicContact CG1-CD1 3.51Å; I123-I133 HydrophobicContact CG2-CD1 4.24Å; V130-I133 HydrophobicContact CB-CD1 3.98Å; V130-I133 HydrophobicContact CB-CG1 4.3Å; V130-I133 HydrophobicContact CG1-CD1 4.18Å; V130-I133 HydrophobicContact CG1-CG1 3.96Å; I133-V135 HydrophobicContact CG2-CG2 3.87Å; I133-F152 HydrophobicContact CB-CD1 4.44Å; I133-F152 HydrophobicContact CD1-CD1 4.03Å; I133-F152 HydrophobicContact CD1-CE1 3.97Å; I133-F152 HydrophobicContact CG1-CD1 3.9Å; I133-F152 HydrophobicContact CG1-CE1 4.3Å; I133-F152 HydrophobicContact CG2-CD1 3.8Å; I133-F152 HydrophobicContact CG2-CE1 3.88Å; I133-F152 HydrophobicContact CG2-CG 4.48Å; I133-L199 PolarHBondContact O-N 2.68Å
134	K	49.4	Very low	50.7	Low	50 Å²	50	78.1 Å²	78.1	22%	0.217	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.3	170.2	-66.2	-179.4	171.3	-150.4	0	108	Y136 Q151 E153 E196	K134-Y136 HydrophobicContact CB-CE2 3.86Å; K134-Q151 CarbonylContact C-O 3.5Å; K134-Q151 HydrophobicContact CB-CB 4.14Å; K134-Q151 PolarHBondContact N-O 3.29Å; K134-Q151 CarbonylContact O-C 3.4Å; K134-Q151 WeakPolarHBondContact O-CA 3.43Å; K134-Q151 PolarHBondContact O-N 3.04Å; K134-E153 VanDerWaalsContact CE-OE1 3.24Å; K134-E153 WeakPolarHBondContact CE-OE1 3.47Å; K134-E153 IonicContact NZ-OE1 2.74Å; K134-E196 VanDerWaalsContact CD-OE1 3.25Å; K134-E196 WeakPolarHBondContact CD-OE1 3.4Å; K134-E196 VanDerWaalsContact CE-OE1 3.22Å; K134-E196 WeakPolarHBondContact CE-OE1 3.24Å; K134-E196 IonicContact NZ-OE1 2.68Å; K134-E196 PolarHBondContact NZ-OE1 2.85Å
135	V	45.9	Very low	49.8	Very low	2 Å²	2	77.5 Å²	77.5	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.5	177	175.9	0	0	0	0	108	I133 L148 L150 L197 L199	I133-V135 HydrophobicContact CG2-CG2 3.87Å; V135-L148 HydrophobicContact CG1-CD1 3.4Å; V135-L148 VanDerWaalsContact CG1-CD1 3.4Å; V135-L148 HydrophobicContact CG1-CG 4.46Å; V135-L150 HydrophobicContact CB-CD2 3.93Å; V135-L150 HydrophobicContact CG1-CD2 3.57Å; V135-L150 HydrophobicContact CG2-CD2 3.2Å; V135-L197 PolarHBondContact N-O 2.88Å; V135-L197 CarbonylContact O-C 3.49Å; V135-L197 WeakPolarHBondContact O-CA 3.46Å; V135-L197 VanDerWaalsContact O-CB 3.3Å; V135-L197 WeakPolarHBondContact O-CB 3.34Å; V135-L197 PolarHBondContact O-N 3.06Å; V135-L199 HydrophobicContact CB-CD1 3.71Å; V135-L199 HydrophobicContact CB-CD2 4.38Å; V135-L199 HydrophobicContact CB-CG 3.69Å; V135-L199 HydrophobicContact CG1-CD1 4.24Å; V135-L199 HydrophobicContact CG2-CB 4.41Å; V135-L199 HydrophobicContact CG2-CD1 3.15Å; V135-L199 HydrophobicContact CG2-CG 3.52Å
136	Y	46.8	Very low	48.9	Very low	57 Å²	57	77 Å²	77	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.4	174.4	-58.7	-93.4	0	0	0	106.7	K134 L148 L149 Q151 E196	K134-Y136 HydrophobicContact CB-CE2 3.86Å; Y136-L148 CarbonylContact O-C 3.42Å; Y136-L149 HydrophobicContact CD2-CD2 3.95Å; Y136-L149 HydrophobicContact CD2-CG 4.19Å; Y136-L149 HydrophobicContact CG-CD2 4.18Å; Y136-L149 PolarHBondContact N-O 2.8Å; Y136-L149 CarbonylContact O-C 3.55Å; Y136-L149 WeakPolarHBondContact O-CA 3.23Å; Y136-L149 PolarHBondContact O-N 3.36Å; Y136-L149 VanDerWaalsContact O-O 3.12Å; Y136-Q151 HydrophobicContact CD2-CB 4.15Å; Y136-Q151 HydrophobicContact CE2-CB 3.74Å; Y136-Q151 HydrophobicContact CE2-CG 4.48Å; Y136-Q151 PolarHBondContact OH-OE1 2.8Å; Y136-E196 HydrophobicContact CD1-CB 4.02Å; Y136-E196 HydrophobicContact CD1-CG 4.19Å; Y136-E196 HydrophobicContact CE1-CB 3.56Å; Y136-E196 HydrophobicContact CE1-CG 3.45Å; Y136-E196 VanDerWaalsContact CE1-CG 3.45Å; Y136-E196 PolarHBondContact OH-OE1 3.5Å
137	L	43.6	Very low	48	Very low	24 Å²	24	74.9 Å²	74.9	13%	0.126	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106.1	170.7	-173	62.7	0	0	0	106.9	L148 I180 L192	L137-L148 HydrophobicContact CB-CD1 4.44Å; L137-L148 HydrophobicContact CD1-CB 3.86Å; L137-L148 HydrophobicContact CD1-CD1 3.84Å; L137-L148 HydrophobicContact CD1-CG 4.5Å; L137-I180 HydrophobicContact CD1-CD1 4.13Å; L137-L192 HydrophobicContact CD2-CD1 3.33Å; L137-L192 HydrophobicContact CD2-CD2 3.6Å; L137-L192 HydrophobicContact CD2-CG 4.05Å; L137-L192 HydrophobicContact CG-CD1 3.82Å; L137-L192 HydrophobicContact CG-CD2 4.44Å
138	S	44.1	Very low	47.1	Very low	31 Å²	31	71.9 Å²	71.9	22%	0.217	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	149.6	172.1	168.5	0	0	0	0	109.2	G146 T147	S138-G146 CarbonylContact O-C 3.53Å; S138-G146 WeakPolarHBondContact O-CA 2.93Å; S138-T147 PolarHBondContact N-O 2.76Å; S138-T147 CarbonylContact O-C 3.53Å; S138-T147 PolarHBondContact O-N 3.19Å
139	C	41.5	Very low	46.5	Very low	27 Å²	27	68.7 Å²	68.7	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	171.2	-178.1	0	0	0	0	111	R141 I220	C139-R141 PolarHBondContact O-N 3.19Å; C139-I220 HydrophobicContact CB-CD1 4.49Å; C139-I220 WeakPolarHBondContact SG-CD1 3.24Å
140	H	42.4	Very low	45.9	Very low	90 Å²	90	63.6 Å²	63.6	42%	0.417	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	92.8	175	-70.5	-60	0	0	0	110.1	Q142 L143 H145	H140-Q142 PolarHBondContact O-N 3.23Å; H140-L143 HydrophobicContact CB-CB 4.47Å; H140-L143 HydrophobicContact CB-CD1 4.46Å; H140-L143 PolarHBondContact O-N 3.38Å; H140-H145 PolarHBondContact N-O 2.83Å
141	R	41.1	Very low	45.6	Very low	181 Å²	181	64.3 Å²	64.3	68%	0.683	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-32.4	-176.1	-61.4	-178.2	-176	175.7	0.7	114.7	C139	C139-R141 PolarHBondContact O-N 3.19Å
142	Q	45.7	Very low	45.3	Very low	194 Å²	194	57.1 Å²	57.1	91%	0.907	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.2	-177.7	-70	-179.8	-17	0	0	113.5	H140	H140-Q142 PolarHBondContact O-N 3.23Å
143	L	44.7	Very low	45.1	Very low	115 Å²	115	54.4 Å²	54.4	60%	0.602	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	5.1	-168.8	-65.6	173.5	0	0	0	113.3	H140 H145	H140-L143 HydrophobicContact CB-CB 4.47Å; H140-L143 HydrophobicContact CB-CD1 4.46Å; H140-L143 PolarHBondContact O-N 3.38Å; L143-H145 HydrophobicContact CB-CB 4.46Å; L143-H145 PolarHBondContact O-CD2 3.18Å; L143-H145 PolarHBondContact O-N 2.79Å; L143-H145 PolarHBondContact O-ND1 2.88Å; L143-H145 PolarHBondContact O-NE2 3.12Å
144	Q	42.4	Very low	44.8	Very low	115 Å²	115	54 Å²	54	54%	0.537	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	24.8	-174.4	-53.5	-175.3	-21	0	0	113.3	Y184	Q144-Y184 HydrophobicContact CB-CE2 4.32Å; Q144-Y184 HydrophobicContact CG-CE2 4.04Å
145	H	40.3	Very low	44.5	Very low	70 Å²	70	54.8 Å²	54.8	32%	0.324	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.5	-175.5	-62.4	-28.8	0	0	0	109.9	H140 L143 I179 I180 S181	H140-H145 PolarHBondContact N-O 2.83Å; L143-H145 HydrophobicContact CB-CB 4.46Å; L143-H145 PolarHBondContact O-CD2 3.18Å; L143-H145 PolarHBondContact O-N 2.79Å; L143-H145 PolarHBondContact O-ND1 2.88Å; L143-H145 PolarHBondContact O-NE2 3.12Å; H145-I179 HydrophobicContact CB-CG2 3.76Å; H145-I180 CarbonylContact C-O 3.57Å; H145-S181 WeakPolarHBondContact ND1-CA 3.26Å; H145-S181 WeakPolarHBondContact ND1-CB 3.34Å
146	G	42	Very low	44.2	Very low	9 Å²	9	58.7 Å²	58.7	9%	0.093	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	155.4	161.5	0	0	0	0	0	110.8	S138 I179 I180	S138-G146 CarbonylContact O-C 3.53Å; S138-G146 WeakPolarHBondContact O-CA 2.93Å; G146-I179 CarbonylContact O-C 3.48Å; G146-I179 WeakPolarHBondContact O-CA 3.36Å; G146-I180 WeakPolarHBondContact CA-O 3.38Å; G146-I180 PolarHBondContact N-O 3.46Å; G146-I180 PolarHBondContact O-N 3.46Å
147	T	44	Very low	43.8	Very low	10 Å²	10	59.4 Å²	59.4	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.7	166.8	-74.5	0	0	0	0	108.1	S138 Q177 F178	S138-T147 PolarHBondContact N-O 2.76Å; S138-T147 CarbonylContact O-C 3.53Å; S138-T147 PolarHBondContact O-N 3.19Å; T147-Q177 HydrophobicContact CG2-CG 3.2Å; T147-F178 CarbonylContact C-O 3.56Å; T147-F178 WeakPolarHBondContact CA-O 3.44Å
148	L	46.3	Very low	43.4	Very low	21 Å²	21	64.7 Å²	64.7	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.2	165.7	177.2	76.3	0	0	0	108.4	V135 Y136 L137 L150 F178 I180	V135-L148 HydrophobicContact CG1-CD1 3.4Å; V135-L148 VanDerWaalsContact CG1-CD1 3.4Å; V135-L148 HydrophobicContact CG1-CG 4.46Å; Y136-L148 CarbonylContact O-C 3.42Å; L137-L148 HydrophobicContact CB-CD1 4.44Å; L137-L148 HydrophobicContact CD1-CB 3.86Å; L137-L148 HydrophobicContact CD1-CD1 3.84Å; L137-L148 HydrophobicContact CD1-CG 4.5Å; L148-L150 HydrophobicContact CD1-CD2 4.34Å; L148-L150 HydrophobicContact CD2-CD2 4.22Å; L148-L150 HydrophobicContact CD2-CG 4.36Å; L148-L150 HydrophobicContact CG-CD2 4.22Å; L148-L150 HydrophobicContact CG-CG 4.39Å; L148-F178 HydrophobicContact CB-CB 4.25Å; L148-F178 HydrophobicContact CB-CD2 4.39Å; L148-F178 HydrophobicContact CD2-CD2 4.01Å; L148-F178 HydrophobicContact CG-CD2 4.2Å; L148-F178 PolarHBondContact N-O 2.92Å; L148-F178 VanDerWaalsContact O-CD2 3.24Å; L148-F178 WeakPolarHBondContact O-CD2 3.27Å; L148-F178 PolarHBondContact O-N 2.93Å; L148-I180 HydrophobicContact CB-CD1 3.59Å; L148-I180 HydrophobicContact CB-CG1 4.05Å; L148-I180 HydrophobicContact CD2-CD1 4.28Å; L148-I180 HydrophobicContact CG-CD1 4.44Å
149	L	48.1	Very low	43	Very low	46 Å²	46	70 Å²	70	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107	172.1	169.6	73	0	0	0	109.3	Y136 N175 Y176 Q177	Y136-L149 HydrophobicContact CD2-CD2 3.95Å; Y136-L149 HydrophobicContact CD2-CG 4.19Å; Y136-L149 HydrophobicContact CG-CD2 4.18Å; Y136-L149 PolarHBondContact N-O 2.8Å; Y136-L149 CarbonylContact O-C 3.55Å; Y136-L149 WeakPolarHBondContact O-CA 3.23Å; Y136-L149 PolarHBondContact O-N 3.36Å; Y136-L149 VanDerWaalsContact O-O 3.12Å; L149-N175 HydrophobicContact CD1-CB 4Å; L149-Y176 CarbonylContact C-O 3.57Å; L149-Y176 VanDerWaalsContact CA-O 3.24Å; L149-Y176 WeakPolarHBondContact CA-O 3.5Å; L149-Q177 HydrophobicContact CD1-CB 4.2Å
150	L	47.7	Very low	42.7	Very low	1 Å²	1	72.3 Å²	72.3	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113	167.9	-58.9	180	0	0	0	108.9	I116 V135 L148 F152 Y176 F178	I116-L150 HydrophobicContact CD1-CD1 4.04Å; V135-L150 HydrophobicContact CB-CD2 3.93Å; V135-L150 HydrophobicContact CG1-CD2 3.57Å; V135-L150 HydrophobicContact CG2-CD2 3.2Å; L148-L150 HydrophobicContact CD1-CD2 4.34Å; L148-L150 HydrophobicContact CD2-CD2 4.22Å; L148-L150 HydrophobicContact CD2-CG 4.36Å; L148-L150 HydrophobicContact CG-CD2 4.22Å; L148-L150 HydrophobicContact CG-CG 4.39Å; L150-F152 HydrophobicContact CB-CD2 4.23Å; L150-F152 HydrophobicContact CB-CE2 3.46Å; L150-F152 VanDerWaalsContact CB-CE2 3.46Å; L150-F152 HydrophobicContact CB-CZ 3.82Å; L150-F152 HydrophobicContact CD1-CE2 4.15Å; L150-F152 HydrophobicContact CD1-CZ 3.78Å; L150-F152 HydrophobicContact CG-CE2 4.44Å; L150-F152 HydrophobicContact CG-CZ 4.41Å; L150-Y176 PolarHBondContact N-O 3.42Å; L150-Y176 PolarHBondContact O-N 2.82Å; L150-F178 HydrophobicContact CB-CE2 3.99Å; L150-F178 HydrophobicContact CD1-CD2 4.22Å; L150-F178 HydrophobicContact CD1-CE2 3.38Å; L150-F178 HydrophobicContact CD1-CZ 4.11Å; L150-F178 HydrophobicContact CG-CD2 4.08Å; L150-F178 HydrophobicContact CG-CE2 3.51Å
151	Q	47.9	Very low	42.8	Very low	33 Å²	33	74.3 Å²	74.3	15%	0.154	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.9	169.1	176.2	169.2	5.7	0	0	109.7	K134 Y136 F174 N175	K134-Q151 CarbonylContact C-O 3.5Å; K134-Q151 HydrophobicContact CB-CB 4.14Å; K134-Q151 PolarHBondContact N-O 3.29Å; K134-Q151 CarbonylContact O-C 3.4Å; K134-Q151 WeakPolarHBondContact O-CA 3.43Å; K134-Q151 PolarHBondContact O-N 3.04Å; Y136-Q151 HydrophobicContact CD2-CB 4.15Å; Y136-Q151 HydrophobicContact CE2-CB 3.74Å; Y136-Q151 HydrophobicContact CE2-CG 4.48Å; Y136-Q151 PolarHBondContact OH-OE1 2.8Å; Q151-F174 CarbonylContact C-O 3.52Å; Q151-F174 WeakPolarHBondContact CA-O 3.14Å; Q151-N175 WeakPolarHBondContact CB-OD1 3.3Å; Q151-N175 WeakPolarHBondContact CG-OD1 3.44Å
152	F	48.9	Very low	42.7	Very low	2 Å²	2	72.3 Å²	72.3	1%	0.009	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.5	176.8	-58.5	-92.5	0	0	0	109.5	I114 I123 V130 I133 L150 S154 C173 F174 Y176	I114-F152 HydrophobicContact CG2-CZ 4.38Å; I123-F152 HydrophobicContact CB-CE1 4.39Å; I123-F152 HydrophobicContact CG2-CE1 3.69Å; I123-F152 HydrophobicContact CG2-CZ 4.17Å; V130-F152 HydrophobicContact CB-CD1 4.21Å; V130-F152 HydrophobicContact CG1-CB 4.28Å; V130-F152 HydrophobicContact CG1-CD1 3.71Å; V130-F152 HydrophobicContact CG1-CG 4.45Å; V130-F152 HydrophobicContact CG2-CD1 4.34Å; I133-F152 HydrophobicContact CB-CD1 4.44Å; I133-F152 HydrophobicContact CD1-CD1 4.03Å; I133-F152 HydrophobicContact CD1-CE1 3.97Å; I133-F152 HydrophobicContact CG1-CD1 3.9Å; I133-F152 HydrophobicContact CG1-CE1 4.3Å; I133-F152 HydrophobicContact CG2-CD1 3.8Å; I133-F152 HydrophobicContact CG2-CE1 3.88Å; I133-F152 HydrophobicContact CG2-CG 4.48Å; L150-F152 HydrophobicContact CB-CD2 4.23Å; L150-F152 HydrophobicContact CB-CE2 3.46Å; L150-F152 VanDerWaalsContact CB-CE2 3.46Å; L150-F152 HydrophobicContact CB-CZ 3.82Å; L150-F152 HydrophobicContact CD1-CE2 4.15Å; L150-F152 HydrophobicContact CD1-CZ 3.78Å; L150-F152 HydrophobicContact CG-CE2 4.44Å; L150-F152 HydrophobicContact CG-CZ 4.41Å; F152-S154 PolarHBondContact O-N 3.46Å; F152-C173 VanDerWaalsContact O-CA 3.31Å; F152-C173 WeakPolarHBondContact O-CA 3.36Å; F152-F174 HydrophobicContact CB-CB 4.42Å; F152-F174 PolarHBondContact N-O 3.32Å; F152-F174 PolarHBondContact O-N 3.14Å; F152-Y176 AromaticContact CD2-CD2 3.23Å; F152-Y176 HydrophobicContact CD2-CD2 3.23Å; F152-Y176 AromaticContact CD2-CE2 3.26Å; F152-Y176 HydrophobicContact CD2-CE2 3.26Å; F152-Y176 AromaticContact CE2-CD2 3.12Å; F152-Y176 HydrophobicContact CE2-CD2 3.12Å; F152-Y176 AromaticContact CE2-CE2 3.41Å; F152-Y176 HydrophobicContact CE2-CE2 3.41Å; F152-Y176 VanDerWaalsContact CE2-CE2 3.41Å; F152-Y176 HydrophobicContact CE2-CG 4.17Å; F152-Y176 HydrophobicContact CG-CE2 4.31Å; F152-Y176 HydrophobicContact CZ-CD2 4.39Å
153	E	45.1	Very low	42.3	Very low	46 Å²	46	69.3 Å²	69.3	22%	0.215	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	86.4	162.2	-71	179.4	-172.2	0	0	107.5	N132 K134 N155 M171	N132-E153 HydrophobicContact CB-CB 4.42Å; N132-E153 PolarHBondContact O-N 3.14Å; K134-E153 VanDerWaalsContact CE-OE1 3.24Å; K134-E153 WeakPolarHBondContact CE-OE1 3.47Å; K134-E153 IonicContact NZ-OE1 2.74Å; E153-N155 PolarHBondContact O-N 3.04Å; E153-N155 VanDerWaalsContact O-N 3.13Å; E153-M171 HydrophobicContact CB-SD 4.08Å
154	S	43.2	Very low	42.3	Very low	9 Å²	9	72.3 Å²	72.3	6%	0.063	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	107.1	175.1	78.1	0	0	0	0	108.9	F152 L156 K172 F174	F152-S154 PolarHBondContact O-N 3.46Å; S154-L156 PolarHBondContact O-N 2.92Å; S154-K172 PolarHBondContact N-O 3.5Å; S154-K172 PolarHBondContact OG-O 3.34Å; S154-F174 WeakPolarHBondContact OG-CE2 3.41Å
155	N	42.9	Very low	42.2	Very low	68 Å²	68	74.7 Å²	74.7	36%	0.364	41%	0.407	S	S	.	.			trans	-71.7	80.9	142.8	-75.8	-16.5	0	0	0	105.9	E153 S157 M171	E153-N155 PolarHBondContact O-N 3.04Å; E153-N155 VanDerWaalsContact O-N 3.13Å; N155-S157 PolarHBondContact O-N 3.41Å; N155-M171 WeakPolarHBondContact OD1-CE 3.31Å; N155-M171 PolarHBondContact OD1-SD 3.09Å
156	L	40.5	Very low	42	Very low	83 Å²	83	75.3 Å²	75.3	44%	0.435	42%	0.42	S	S	.	.			trans	-64	87.5	158.6	-72.7	167.7	0	0	0	104.8	S154 N158	S154-L156 PolarHBondContact O-N 2.92Å; L156-N158 PolarHBondContact O-N 2.91Å
157	S	37.6	Very low	41.5	Very low	73 Å²	73	82.9 Å²	82.9	51%	0.51	45%	0.45	S	S	.	.			trans	-58.7	113.8	163.1	53.7	0	0	0	0	104.6	N155 D159	N155-S157 PolarHBondContact O-N 3.41Å; S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 2.79Å; S157-D159 PolarHBondContact OG-OD1 2.92Å
158	N	35.1	Very low	40.9	Very low	135 Å²	135	90.8 Å²	90.8	72%	0.722	49%	0.487	S	S	*	.			trans	-60	105.6	159.5	-82.8	-12.6	0	0	0	104.6	L156 S160	L156-N158 PolarHBondContact O-N 2.91Å; N158-S160 PolarHBondContact O-N 3.32Å
159	D	35	Very low	40.3	Very low	143 Å²	143	95.2 Å²	95.2	77%	0.765	51%	0.507	S	S	*	.			trans	-68.3	34.6	163	-72.1	-10.5	0	0	0	110.1	S157 T161	S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 2.79Å; S157-D159 PolarHBondContact OG-OD1 2.92Å; D159-T161 PolarHBondContact O-N 3Å
160	S	35.7	Very low	39.6	Very low	74 Å²	74	98.8 Å²	98.8	52%	0.517	53%	0.525	S	S	.	.			trans	-79.4	95.4	163.9	62.7	0	0	0	0	106.6	N158 N162	N158-S160 PolarHBondContact O-N 3.32Å; S160-N162 PolarHBondContact O-N 3.18Å
161	T	43.7	Very low	38.9	Very low	133 Å²	133	103.1 Å²	103.1	82%	0.816	55%	0.546	S	S	*	.			trans	-59.5	8.5	179.2	33.1	0	0	0	0	115.7	D159	D159-T161 PolarHBondContact O-N 3Å
162	N	39.9	Very low	38.6	Very low	138 Å²	138	106.8 Å²	106.8	74%	0.738	56%	0.562	S	S	*	*			trans	-143.2	85.8	-176.8	-73	-36.6	0	0	0	111.3	S160	S160-N162 PolarHBondContact O-N 3.18Å
163	N	38.1	Very low	38.1	Very low	131 Å²	131	109.8 Å²	109.8	70%	0.701	58%	0.582	S	S	*	*			trans	179.4	104	144.5	-92.8	-17.7	0	0	0	109.7	N165	N163-N165 PolarHBondContact O-N 3.09Å; N163-N165 VanDerWaalsContact O-N 3.1Å
164	E	43.2	Very low	38	Very low	179 Å²	179	110.3 Å²	110.3	84%	0.836	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-10.1	177.5	-71	-174.7	147.4	0	0	113.8
165	N	41.1	Very low	37.9	Very low	164 Å²	164	113.8 Å²	113.8	88%	0.877	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	18.9	-170.7	-77.2	-16.5	0	0	0	116.3	N163	N163-N165 PolarHBondContact O-N 3.09Å; N163-N165 VanDerWaalsContact O-N 3.1Å
166	S	36.3	Very low	38	Very low	84 Å²	84	111 Å²	111	59%	0.587	59%	0.586	S	S	*	*			trans	-134.1	62.6	173	61.9	0	0	0	0	113.1	Q168	S166-Q168 PolarHBondContact O-N 3Å
167	F	31.6	Very low	37.9	Very low	167 Å²	167	111 Å²	111	73%	0.732	58%	0.584	S	S	*	*			trans	-86.3	31.9	170.9	-87.8	-81.3	0	0	0	113.6	Q169	F167-Q169 PolarHBondContact O-N 2.86Å; F167-Q169 VanDerWaalsContact O-N 3.11Å
168	Q	32	Very low	38.2	Very low	176 Å²	176	108.1 Å²	108.1	82%	0.822	56%	0.562	S	S	*	*			trans	-81.7	81.6	157.8	-76.2	-173.2	-9.4	0	0	107.6	S166 I170	S166-Q168 PolarHBondContact O-N 3Å; Q168-I170 VanDerWaalsContact C-N 3.3Å; Q168-I170 PolarHBondContact O-N 3.46Å
169	Q	33.4	Very low	38.3	Very low	115 Å²	115	106.1 Å²	106.1	54%	0.537	55%	0.55	S	S	.	*			trans	-59.7	99	164.1	-75.7	178.7	-4.4	0	0	107	F167 M171	F167-Q169 PolarHBondContact O-N 2.86Å; F167-Q169 VanDerWaalsContact O-N 3.11Å; Q169-M171 VanDerWaalsContact C-N 3.31Å; Q169-M171 PolarHBondContact O-N 3.12Å
170	I	32.4	Very low	38.6	Very low	121 Å²	121	100.6 Å²	100.6	62%	0.621	52%	0.521	S	S	*	.			trans	-69	98.9	170	-58.6	175.9	0	0	0	105.4	Q168 K172	Q168-I170 VanDerWaalsContact C-N 3.3Å; Q168-I170 PolarHBondContact O-N 3.46Å; I170-K172 VanDerWaalsContact C-N 3.29Å; I170-K172 HydrophobicContact CG2-CG 3.76Å; I170-K172 PolarHBondContact O-N 3.22Å
171	M	33.7	Very low	38.6	Very low	91 Å²	91	99.1 Å²	99.1	45%	0.448	51%	0.511	S	S	.	.			trans	-57.6	97.1	162.7	-85.1	-78.4	-160.9	0	0	107.2	E153 N155 Q169 C173	E153-M171 HydrophobicContact CB-SD 4.08Å; N155-M171 WeakPolarHBondContact OD1-CE 3.31Å; N155-M171 PolarHBondContact OD1-SD 3.09Å; Q169-M171 VanDerWaalsContact C-N 3.31Å; Q169-M171 PolarHBondContact O-N 3.12Å; M171-C173 PolarHBondContact O-N 3.13Å
172	K	40.4	Very low	38.2	Very low	110 Å²	110	93.7 Å²	93.7	48%	0.478	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108	168.4	-69.5	-171.4	178.7	180	0	106.8	S154 I170 F174	S154-K172 PolarHBondContact N-O 3.5Å; S154-K172 PolarHBondContact OG-O 3.34Å; I170-K172 VanDerWaalsContact C-N 3.29Å; I170-K172 HydrophobicContact CG2-CG 3.76Å; I170-K172 PolarHBondContact O-N 3.22Å; K172-F174 HydrophobicContact CB-CD2 4.27Å; K172-F174 HydrophobicContact CB-CE2 3.59Å; K172-F174 HydrophobicContact CB-CZ 3.84Å; K172-F174 HydrophobicContact CD-CZ 4.04Å
173	C	39	Very low	37.7	Very low	65 Å²	65	89.8 Å²	89.8	44%	0.439	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.2	166.8	-69.6	0	0	0	0	108	F152 M171	F152-C173 VanDerWaalsContact O-CA 3.31Å; F152-C173 WeakPolarHBondContact O-CA 3.36Å; M171-C173 PolarHBondContact O-N 3.13Å
174	F	43.6	Very low	37.5	Very low	58 Å²	58	89.7 Å²	89.7	25%	0.254	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.8	170	-62.4	-84.1	0	0	0	108.7	Q151 F152 S154 K172 Y176	Q151-F174 CarbonylContact C-O 3.52Å; Q151-F174 WeakPolarHBondContact CA-O 3.14Å; F152-F174 HydrophobicContact CB-CB 4.42Å; F152-F174 PolarHBondContact N-O 3.32Å; F152-F174 PolarHBondContact O-N 3.14Å; S154-F174 WeakPolarHBondContact OG-CE2 3.41Å; K172-F174 HydrophobicContact CB-CD2 4.27Å; K172-F174 HydrophobicContact CB-CE2 3.59Å; K172-F174 HydrophobicContact CB-CZ 3.84Å; K172-F174 HydrophobicContact CD-CZ 4.04Å; F174-Y176 HydrophobicContact CB-CD2 4.17Å; F174-Y176 HydrophobicContact CB-CE2 3.42Å; F174-Y176 VanDerWaalsContact CB-CE2 3.42Å; F174-Y176 HydrophobicContact CG-CE2 4.37Å
175	N	40.4	Very low	36.8	Very low	81 Å²	81	83.1 Å²	83.1	43%	0.433	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.8	174.5	-71.8	-12	0	0	0	108.6	L149 Q151	L149-N175 HydrophobicContact CD1-CB 4Å; Q151-N175 WeakPolarHBondContact CB-OD1 3.3Å; Q151-N175 WeakPolarHBondContact CG-OD1 3.44Å
176	Y	44.7	Very low	36.3	Very low	10 Å²	10	79.4 Å²	79.4	4%	0.039	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.9	173.5	-58.6	-81.7	0	0	0	109.6	L105 I107 I114 L149 L150 F152 F174 F178	L105-Y176 HydrophobicContact CD2-CD1 3.33Å; L105-Y176 HydrophobicContact CD2-CE1 3.04Å; I107-Y176 HydrophobicContact CD1-CE1 3.69Å; I107-Y176 WeakPolarHBondContact CD1-OH 3.24Å; I114-Y176 HydrophobicContact CD1-CD1 4.46Å; I114-Y176 HydrophobicContact CD1-CD2 4.44Å; I114-Y176 HydrophobicContact CD1-CE2 4.37Å; I114-Y176 HydrophobicContact CD1-CG 4.37Å; L149-Y176 CarbonylContact C-O 3.57Å; L149-Y176 VanDerWaalsContact CA-O 3.24Å; L149-Y176 WeakPolarHBondContact CA-O 3.5Å; L150-Y176 PolarHBondContact N-O 3.42Å; L150-Y176 PolarHBondContact O-N 2.82Å; F152-Y176 AromaticContact CD2-CD2 3.23Å; F152-Y176 HydrophobicContact CD2-CD2 3.23Å; F152-Y176 AromaticContact CD2-CE2 3.26Å; F152-Y176 HydrophobicContact CD2-CE2 3.26Å; F152-Y176 AromaticContact CE2-CD2 3.12Å; F152-Y176 HydrophobicContact CE2-CD2 3.12Å; F152-Y176 AromaticContact CE2-CE2 3.41Å; F152-Y176 HydrophobicContact CE2-CE2 3.41Å; F152-Y176 VanDerWaalsContact CE2-CE2 3.41Å; F152-Y176 HydrophobicContact CE2-CG 4.17Å; F152-Y176 HydrophobicContact CG-CE2 4.31Å; F152-Y176 HydrophobicContact CZ-CD2 4.39Å; F174-Y176 HydrophobicContact CB-CD2 4.17Å; F174-Y176 HydrophobicContact CB-CE2 3.42Å; F174-Y176 VanDerWaalsContact CB-CE2 3.42Å; F174-Y176 HydrophobicContact CG-CE2 4.37Å; Y176-F178 HydrophobicContact CG-CZ 4.4Å
177	Q	40.1	Very low	36	Very low	84 Å²	84	84.2 Å²	84.2	39%	0.393	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.9	178.2	-166.5	177.9	-17.4	0	0	109.4	T147 L149	T147-Q177 HydrophobicContact CG2-CG 3.2Å; L149-Q177 HydrophobicContact CD1-CB 4.2Å
178	F	44	Very low	36	Very low	11 Å²	11	80.2 Å²	80.2	5%	0.048	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.2	174.3	-50.9	-69	0	0	0	108.7	F92 I114 T147 L148 L150 Y176	F92-F178 HydrophobicContact CD1-CD1 4.23Å; F92-F178 HydrophobicContact CE1-CB 4.39Å; F92-F178 AromaticContact CE1-CD1 3.18Å; F92-F178 HydrophobicContact CE1-CD1 3.18Å; F92-F178 AromaticContact CE1-CE1 3.67Å; F92-F178 HydrophobicContact CE1-CE1 3.67Å; F92-F178 AromaticContact CE1-CG 3.99Å; F92-F178 HydrophobicContact CE1-CG 3.99Å; F92-F178 AromaticContact CE2-CD1 3.99Å; F92-F178 HydrophobicContact CE2-CD1 3.99Å; F92-F178 HydrophobicContact CE2-CE1 4.04Å; F92-F178 AromaticContact CZ-CD1 3.08Å; F92-F178 HydrophobicContact CZ-CD1 3.08Å; F92-F178 AromaticContact CZ-CE1 3.13Å; F92-F178 HydrophobicContact CZ-CE1 3.13Å; F92-F178 HydrophobicContact CZ-CG 4.26Å; F92-F178 HydrophobicContact CZ-CZ 4.33Å; I114-F178 HydrophobicContact CD1-CZ 4.41Å; T147-F178 CarbonylContact C-O 3.56Å; T147-F178 WeakPolarHBondContact CA-O 3.44Å; L148-F178 HydrophobicContact CB-CB 4.25Å; L148-F178 HydrophobicContact CB-CD2 4.39Å; L148-F178 HydrophobicContact CD2-CD2 4.01Å; L148-F178 HydrophobicContact CG-CD2 4.2Å; L148-F178 PolarHBondContact N-O 2.92Å; L148-F178 VanDerWaalsContact O-CD2 3.24Å; L148-F178 WeakPolarHBondContact O-CD2 3.27Å; L148-F178 PolarHBondContact O-N 2.93Å; L150-F178 HydrophobicContact CB-CE2 3.99Å; L150-F178 HydrophobicContact CD1-CD2 4.22Å; L150-F178 HydrophobicContact CD1-CE2 3.38Å; L150-F178 HydrophobicContact CD1-CZ 4.11Å; L150-F178 HydrophobicContact CG-CD2 4.08Å; L150-F178 HydrophobicContact CG-CE2 3.51Å; Y176-F178 HydrophobicContact CG-CZ 4.4Å
179	I	36.4	Very low	36.1	Very low	93 Å²	93	75.3 Å²	75.3	48%	0.477	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.9	170.5	-60.5	174.7	0	0	0	107	V76 H145 G146	V76-I179 HydrophobicContact CG2-CD1 4.43Å; H145-I179 HydrophobicContact CB-CG2 3.76Å; G146-I179 CarbonylContact O-C 3.48Å; G146-I179 WeakPolarHBondContact O-CA 3.36Å
180	I	41.8	Very low	36	Very low	28 Å²	28	72.7 Å²	72.7	14%	0.144	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	101.8	170.8	-57.4	-179.5	0	0	0	107	L137 H145 G146 L148 A182 M215	L137-I180 HydrophobicContact CD1-CD1 4.13Å; H145-I180 CarbonylContact C-O 3.57Å; G146-I180 WeakPolarHBondContact CA-O 3.38Å; G146-I180 PolarHBondContact N-O 3.46Å; G146-I180 PolarHBondContact O-N 3.46Å; L148-I180 HydrophobicContact CB-CD1 3.59Å; L148-I180 HydrophobicContact CB-CG1 4.05Å; L148-I180 HydrophobicContact CD2-CD1 4.28Å; L148-I180 HydrophobicContact CG-CD1 4.44Å; I180-A182 PolarHBondContact O-N 3.19Å; I180-M215 HydrophobicContact CG2-SD 4.24Å
181	S	34	Very low	36.1	Very low	43 Å²	43	70.7 Å²	70.7	30%	0.301	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.9	167.8	53.9	0	0	0	0	109.4	H145	H145-S181 WeakPolarHBondContact ND1-CA 3.26Å; H145-S181 WeakPolarHBondContact ND1-CB 3.34Å
182	A	35.4	Very low	36.1	Very low	18 Å²	18	68.6 Å²	68.6	15%	0.149	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-89.5	127	171.5	0	0	0	0	0	108.8	I180 W218	I180-A182 PolarHBondContact O-N 3.19Å; A182-W218 HydrophobicContact CB-CB 3.83Å; A182-W218 HydrophobicContact CB-CD2 4.39Å; A182-W218 HydrophobicContact CB-CE3 4.21Å; A182-W218 HydrophobicContact CB-CG 4.29Å
183	V	31	Very low	35.8	Very low	57 Å²	57	68.5 Å²	68.5	35%	0.345	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-92.2	135.7	165.2	-179.5	0	0	0	0	107.3	L67 S185 M215 I216	L67-V183 HydrophobicContact CD1-CG2 4.22Å; L67-V183 HydrophobicContact CD2-CG2 4.25Å; V183-S185 PolarHBondContact O-N 3.42Å; V183-M215 PolarHBondContact N-O 2.82Å; V183-I216 CarbonylContact O-C 3.56Å
184	Y	32.3	Very low	35.7	Very low	129 Å²	129	72.2 Å²	72.2	51%	0.506	39%	0.388	S	S	.	.			trans	-76.9	114.4	-175.8	-65.3	-86.6	0	0	0	110.9	Q144 I216	Q144-Y184 HydrophobicContact CB-CE2 4.32Å; Q144-Y184 HydrophobicContact CG-CE2 4.04Å; Y184-I216 CarbonylContact C-O 3.59Å
185	S	30	Very low	35.3	Very low	40 Å²	40	75 Å²	75	28%	0.28	40%	0.4	S	S	.	.			trans	-147	161.7	154.4	90.9	0	0	0	0	109.5	V183 I216 N217 T219	V183-S185 PolarHBondContact O-N 3.42Å; S185-I216 WeakPolarHBondContact CA-O 3.43Å; S185-I216 WeakPolarHBondContact CB-O 3.29Å; S185-I216 PolarHBondContact N-O 2.8Å; S185-I216 PolarHBondContact OG-O 3.13Å; S185-N217 CarbonylContact O-C 3.51Å; S185-N217 VanDerWaalsContact O-CA 3.3Å; S185-N217 WeakPolarHBondContact O-CA 3.25Å; S185-N217 WeakPolarHBondContact OG-CA 3.4Å; S185-N217 VanDerWaalsContact OG-CG 3.25Å; S185-N217 PolarHBondContact OG-OD1 3.47Å; S185-T219 PolarHBondContact O-OG1 3.16Å
186	S	29.9	Very low	35.1	Very low	87 Å²	87	75.5 Å²	75.5	61%	0.608	40%	0.399	S	S	*	.	S	Bend	trans	-64	156	-146.2	47.6	0	0	0	0	119.2
187	E	30.4	Very low	34.8	Very low	184 Å²	184	77.6 Å²	77.6	86%	0.86	41%	0.411	S	S	*	.	S	Bend	trans	70.4	21.2	148.4	-75.1	-169.3	177.9	0	0	122
188	I	32.1	Very low	34.9	Very low	83 Å²	83	78.5 Å²	78.5	43%	0.426	42%	0.418	S	S	.	.			trans	-132.2	120.6	160.2	-54.2	178.9	0	0	0	110.7	V190 M213 T219	I188-V190 HydrophobicContact CG2-CG2 4.33Å; I188-M213 HydrophobicContact CD1-CE 3.66Å; I188-M213 HydrophobicContact CD1-SD 3.94Å; I188-T219 PolarHBondContact O-N 3.01Å
189	S	32.4	Very low	34.8	Very low	73 Å²	73	79 Å²	79	51%	0.51	42%	0.421	S	S	.	.			trans	-108.6	124.1	174.1	61.5	0	0	0	0	110.8	T219	S189-T219 VanDerWaalsContact CA-O 3.26Å; S189-T219 WeakPolarHBondContact CA-O 3.36Å
190	V	33	Very low	35.1	Very low	60 Å²	60	77.9 Å²	77.9	36%	0.364	42%	0.415	S	S	.	.			trans	-120.4	127.4	169.9	-179.9	0	0	0	0	109.5	I188 L192 F210	I188-V190 HydrophobicContact CG2-CG2 4.33Å; V190-L192 HydrophobicContact CG1-CD2 4.39Å; V190-L192 PolarHBondContact O-N 3.23Å; V190-F210 HydrophobicContact CB-CE1 4.05Å; V190-F210 HydrophobicContact CG1-CE1 3.82Å; V190-F210 HydrophobicContact CG1-CZ 3.82Å; V190-F210 HydrophobicContact CG2-CE1 3.82Å; V190-F210 HydrophobicContact CG2-CZ 4.4Å
191	T	33.1	Very low	35.1	Very low	79 Å²	79	80.6 Å²	80.6	49%	0.485	44%	0.435	S	S	.	.			trans	-76.5	100.3	173.2	-46.4	0	0	0	0	109	E193	T191-E193 HydrophobicContact CG2-CG 4.03Å; T191-E193 PolarHBondContact O-N 3.06Å
192	L	35.3	Very low	35.5	Very low	48 Å²	48	83.6 Å²	83.6	25%	0.251	45%	0.447	S	S	.	.			trans	-86.5	92.2	163.9	-62.5	171.1	0	0	0	107	L137 V190 W218	L137-L192 HydrophobicContact CD2-CD1 3.33Å; L137-L192 HydrophobicContact CD2-CD2 3.6Å; L137-L192 HydrophobicContact CD2-CG 4.05Å; L137-L192 HydrophobicContact CG-CD1 3.82Å; L137-L192 HydrophobicContact CG-CD2 4.44Å; V190-L192 HydrophobicContact CG1-CD2 4.39Å; V190-L192 PolarHBondContact O-N 3.23Å; L192-W218 HydrophobicContact CD1-CZ3 4.48Å
193	E	33.3	Very low	35.9	Very low	107 Å²	107	85.5 Å²	85.5	50%	0.5	45%	0.453	S	S	.	.			trans	-68	150.2	159.5	-71.3	176.9	167	0	0	107.9	T191 K195	T191-E193 HydrophobicContact CG2-CG 4.03Å; T191-E193 PolarHBondContact O-N 3.06Å; E193-K195 HydrophobicContact CB-CD 4.2Å; E193-K195 HydrophobicContact CB-CG 4.01Å; E193-K195 PolarHBondContact O-N 3.38Å; E193-K195 WeakPolarHBondContact OE2-CE 3.26Å; E193-K195 IonicContact OE2-NZ 2.69Å; E193-K195 PolarHBondContact OE2-NZ 2.93Å
194	D	35.8	Very low	36.7	Very low	144 Å²	144	83.2 Å²	83.2	77%	0.77	44%	0.439	S	S	*	.	S	Bend	trans	-58.3	81.8	170.6	-65.3	-47.2	0	0	0	109.1
195	K	35.5	Very low	37.4	Very low	116 Å²	116	82.5 Å²	82.5	50%	0.504	44%	0.438	S	S	.	.			trans	-115.4	126.8	-177.5	-77.1	-177.4	175.8	160	0	108.2	E193 L197	E193-K195 HydrophobicContact CB-CD 4.2Å; E193-K195 HydrophobicContact CB-CG 4.01Å; E193-K195 PolarHBondContact O-N 3.38Å; E193-K195 WeakPolarHBondContact OE2-CE 3.26Å; E193-K195 IonicContact OE2-NZ 2.69Å; E193-K195 PolarHBondContact OE2-NZ 2.93Å; K195-L197 HydrophobicContact CB-CD2 4.49Å; K195-L197 PolarHBondContact O-N 3.32Å; K195-L197 VanDerWaalsContact O-N 3.14Å
196	E	36	Very low	38.2	Very low	91 Å²	91	85.3 Å²	85.3	43%	0.425	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	109.7	157.8	-177.6	174.7	178.6	0	0	107.3	K134 Y136 I198	K134-E196 VanDerWaalsContact CD-OE1 3.25Å; K134-E196 WeakPolarHBondContact CD-OE1 3.4Å; K134-E196 VanDerWaalsContact CE-OE1 3.22Å; K134-E196 WeakPolarHBondContact CE-OE1 3.24Å; K134-E196 IonicContact NZ-OE1 2.68Å; K134-E196 PolarHBondContact NZ-OE1 2.85Å; Y136-E196 HydrophobicContact CD1-CB 4.02Å; Y136-E196 HydrophobicContact CD1-CG 4.19Å; Y136-E196 HydrophobicContact CE1-CB 3.56Å; Y136-E196 HydrophobicContact CE1-CG 3.45Å; Y136-E196 VanDerWaalsContact CE1-CG 3.45Å; Y136-E196 PolarHBondContact OH-OE1 3.5Å; E196-I198 HydrophobicContact CG-CG1 4.43Å
197	L	40.2	Very low	39	Very low	55 Å²	55	82.1 Å²	82.1	29%	0.288	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	102.7	170.6	-64.9	173.4	0	0	0	106.9	V135 K195 L199	V135-L197 PolarHBondContact N-O 2.88Å; V135-L197 CarbonylContact O-C 3.49Å; V135-L197 WeakPolarHBondContact O-CA 3.46Å; V135-L197 VanDerWaalsContact O-CB 3.3Å; V135-L197 WeakPolarHBondContact O-CB 3.34Å; V135-L197 PolarHBondContact O-N 3.06Å; K195-L197 HydrophobicContact CB-CD2 4.49Å; K195-L197 PolarHBondContact O-N 3.32Å; K195-L197 VanDerWaalsContact O-N 3.14Å; L197-L199 HydrophobicContact CB-CD2 4.35Å; L197-L199 PolarHBondContact O-N 3.33Å; L197-L199 VanDerWaalsContact O-N 3.11Å
198	I	40.8	Very low	39.7	Very low	103 Å²	103	75.5 Å²	75.5	53%	0.528	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	104.2	162.7	-59.4	176.3	0	0	0	105.6	E196 D200 Q203	E196-I198 HydrophobicContact CG-CG1 4.43Å; I198-D200 VanDerWaalsContact C-N 3.28Å; I198-D200 PolarHBondContact O-N 3.44Å; I198-Q203 VanDerWaalsContact C-OE1 3.29Å; I198-Q203 PolarHBondContact O-NE2 3.29Å; I198-Q203 PolarHBondContact O-OE1 3.12Å
199	L	42.2	Very low	40.4	Very low	21 Å²	21	74.5 Å²	74.5	11%	0.11	39%	0.391	C	S	.	.			trans	-67.5	89.3	-177.5	-75.1	-169.1	0	0	0	110.8	I133 V135 L197 Q203 L204 M207	I133-L199 PolarHBondContact O-N 2.68Å; V135-L199 HydrophobicContact CB-CD1 3.71Å; V135-L199 HydrophobicContact CB-CD2 4.38Å; V135-L199 HydrophobicContact CB-CG 3.69Å; V135-L199 HydrophobicContact CG1-CD1 4.24Å; V135-L199 HydrophobicContact CG2-CB 4.41Å; V135-L199 HydrophobicContact CG2-CD1 3.15Å; V135-L199 HydrophobicContact CG2-CG 3.52Å; L197-L199 HydrophobicContact CB-CD2 4.35Å; L197-L199 PolarHBondContact O-N 3.33Å; L197-L199 VanDerWaalsContact O-N 3.11Å; L199-Q203 HydrophobicContact CD2-CB 3.62Å; L199-L204 HydrophobicContact CB-CD1 3.97Å; L199-L204 HydrophobicContact CB-CD2 4.47Å; L199-L204 HydrophobicContact CB-CG 3.86Å; L199-L204 HydrophobicContact CD1-CD2 3.56Å; L199-L204 HydrophobicContact CD1-CG 3.82Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 HydrophobicContact CG-CD2 4.49Å; L199-L204 HydrophobicContact CG-CG 4.24Å; L199-M207 HydrophobicContact CD1-CE 3.95Å; L199-M207 HydrophobicContact CD1-SD 3.92Å
200	D	43.4	Very low	40.9	Very low	69 Å²	69	74.2 Å²	74.2	37%	0.369	38%	0.381	S	S	.	.			trans	-73	167	157.5	71.8	26.2	0	0	0	109.8	I198 L202 Q203 L204	I198-D200 VanDerWaalsContact C-N 3.28Å; I198-D200 PolarHBondContact O-N 3.44Å; D200-L202 PolarHBondContact O-N 3.03Å; D200-L202 VanDerWaalsContact O-N 3.13Å; D200-L202 WeakPolarHBondContact OD1-CA 2.95Å; D200-L202 VanDerWaalsContact OD1-CB 3.25Å; D200-L202 WeakPolarHBondContact OD1-CB 3.33Å; D200-L202 PolarHBondContact OD1-N 3.46Å; D200-Q203 PolarHBondContact O-N 2.79Å; D200-Q203 VanDerWaalsContact O-N 3.12Å; D200-Q203 WeakPolarHBondContact OD1-CG 3.4Å; D200-Q203 PolarHBondContact OD1-N 3.48Å; D200-L204 PolarHBondContact O-N 3Å
201	P	41.5	Very low	41.5	Very low	85 Å²	85	74.1 Å²	74.1	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-54.6	-29.9	178	-29.1	37.4	0	0	0	114.4	Y121 K205	Y121-P201 HydrophobicContact CD2-CB 3.71Å; Y121-P201 HydrophobicContact CE2-CB 4.32Å; Y121-P201 HydrophobicContact CG-CB 4.24Å; P201-K205 PolarHBondContact O-N 3.28Å; P201-K205 VanDerWaalsContact O-N 3.09Å
202	L	40.9	Very low	42	Very low	107 Å²	107	75.7 Å²	75.7	56%	0.56	38%	0.383	S	S	*	.	H	α-helix	trans	-71.8	-42.5	179	-176.1	68.5	0	0	0	110.4	D200 K205 H206	D200-L202 PolarHBondContact O-N 3.03Å; D200-L202 VanDerWaalsContact O-N 3.13Å; D200-L202 WeakPolarHBondContact OD1-CA 2.95Å; D200-L202 VanDerWaalsContact OD1-CB 3.25Å; D200-L202 WeakPolarHBondContact OD1-CB 3.33Å; D200-L202 PolarHBondContact OD1-N 3.46Å; L202-K205 VanDerWaalsContact O-CB 3.24Å; L202-K205 WeakPolarHBondContact O-CB 3.15Å; L202-K205 PolarHBondContact O-N 2.74Å; L202-H206 PolarHBondContact O-CD2 3.05Å; L202-H206 PolarHBondContact O-N 2.97Å; L202-H206 VanDerWaalsContact O-N 3.09Å
203	Q	44.8	Very low	42.2	Very low	57 Å²	57	77.2 Å²	77.2	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-69.8	-34.8	176.7	-65.8	-175.5	14.4	0	0	112.5	I198 L199 D200 K205 H206 M207	I198-Q203 VanDerWaalsContact C-OE1 3.29Å; I198-Q203 PolarHBondContact O-NE2 3.29Å; I198-Q203 PolarHBondContact O-OE1 3.12Å; L199-Q203 HydrophobicContact CD2-CB 3.62Å; D200-Q203 PolarHBondContact O-N 2.79Å; D200-Q203 VanDerWaalsContact O-N 3.12Å; D200-Q203 WeakPolarHBondContact OD1-CG 3.4Å; D200-Q203 PolarHBondContact OD1-N 3.48Å; Q203-K205 VanDerWaalsContact C-N 3.29Å; Q203-K205 PolarHBondContact O-N 3.49Å; Q203-H206 WeakPolarHBondContact O-CB 3.08Å; Q203-H206 PolarHBondContact O-N 2.83Å; Q203-M207 PolarHBondContact O-N 2.83Å
204	L	46.9	Very low	42.4	Very low	9 Å²	9	74.7 Å²	74.7	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-31.8	170.9	-80.5	154.2	0	0	0	112.3	Y121 L199 D200 M207 K208	Y121-L204 HydrophobicContact CD1-CB 3.28Å; Y121-L204 HydrophobicContact CE1-CB 4.2Å; Y121-L204 HydrophobicContact CG-CB 3.69Å; Y121-L204 WeakPolarHBondContact O-CD1 3.44Å; L199-L204 HydrophobicContact CB-CD1 3.97Å; L199-L204 HydrophobicContact CB-CD2 4.47Å; L199-L204 HydrophobicContact CB-CG 3.86Å; L199-L204 HydrophobicContact CD1-CD2 3.56Å; L199-L204 HydrophobicContact CD1-CG 3.82Å; L199-L204 HydrophobicContact CD2-CG 4.4Å; L199-L204 HydrophobicContact CG-CD2 4.49Å; L199-L204 HydrophobicContact CG-CG 4.24Å; D200-L204 PolarHBondContact O-N 3Å; L204-M207 HydrophobicContact CD2-CE 3.75Å; L204-M207 CarbonylContact O-C 3.49Å; L204-M207 WeakPolarHBondContact O-CB 3.38Å; L204-M207 PolarHBondContact O-N 3.16Å; L204-K208 PolarHBondContact O-N 2.69Å
205	K	47.8	Very low	42.4	Very low	115 Å²	115	72.2 Å²	72.2	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-44	169.1	-170	-179.6	177.1	-175.2	0	111.7	Y121 P201 L202 Q203 M207 K208 S209	Y121-K205 HydrophobicContact CE1-CB 3.62Å; Y121-K205 HydrophobicContact CE1-CG 4.31Å; Y121-K205 VanDerWaalsContact OH-CB 3.29Å; Y121-K205 WeakPolarHBondContact OH-CB 3.33Å; Y121-K205 VanDerWaalsContact OH-CG 3.25Å; Y121-K205 WeakPolarHBondContact OH-CG 3.03Å; P201-K205 PolarHBondContact O-N 3.28Å; P201-K205 VanDerWaalsContact O-N 3.09Å; L202-K205 VanDerWaalsContact O-CB 3.24Å; L202-K205 WeakPolarHBondContact O-CB 3.15Å; L202-K205 PolarHBondContact O-N 2.74Å; Q203-K205 VanDerWaalsContact C-N 3.29Å; Q203-K205 PolarHBondContact O-N 3.49Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 3.49Å; K205-K208 WeakPolarHBondContact O-CB 3.43Å; K205-K208 PolarHBondContact O-N 2.78Å; K205-S209 PolarHBondContact O-N 2.96Å; K205-S209 PolarHBondContact O-OG 3.37Å
206	H	46	Very low	42.2	Very low	98 Å²	98	71.1 Å²	71.1	45%	0.454	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-42.7	172.8	-68.7	-68	0	0	0	110.6	L202 Q203 K208 S209 F210	L202-H206 PolarHBondContact O-CD2 3.05Å; L202-H206 PolarHBondContact O-N 2.97Å; L202-H206 VanDerWaalsContact O-N 3.09Å; Q203-H206 WeakPolarHBondContact O-CB 3.08Å; Q203-H206 PolarHBondContact O-N 2.83Å; H206-K208 VanDerWaalsContact C-N 3.34Å; H206-K208 PolarHBondContact O-N 3Å; H206-S209 CarbonylContact O-C 3.56Å; H206-S209 WeakPolarHBondContact O-CA 3.38Å; H206-S209 WeakPolarHBondContact O-CB 3.3Å; H206-S209 PolarHBondContact O-N 3.13Å; H206-F210 VanDerWaalsContact C-CD2 3.41Å; H206-F210 HydrophobicContact CB-CD2 4.31Å; H206-F210 HydrophobicContact CB-CE2 4.02Å; H206-F210 WeakPolarHBondContact O-CD2 3.07Å; H206-F210 PolarHBondContact O-N 3.13Å
207	M	47.8	Very low	42	Very low	20 Å²	20	69.9 Å²	69.9	10%	0.099	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-40.7	174.1	-152.2	164.8	79.3	0	0	112.2	I116 L199 Q203 L204 K205 S209 F210 M211	I116-M207 HydrophobicContact CD1-CE 4.07Å; I116-M207 HydrophobicContact CG2-CE 4.22Å; L199-M207 HydrophobicContact CD1-CE 3.95Å; L199-M207 HydrophobicContact CD1-SD 3.92Å; Q203-M207 PolarHBondContact O-N 2.83Å; L204-M207 HydrophobicContact CD2-CE 3.75Å; L204-M207 CarbonylContact O-C 3.49Å; L204-M207 WeakPolarHBondContact O-CB 3.38Å; L204-M207 PolarHBondContact O-N 3.16Å; K205-M207 VanDerWaalsContact C-N 3.29Å; K205-M207 PolarHBondContact O-N 3.49Å; M207-S209 VanDerWaalsContact C-N 3.31Å; M207-S209 PolarHBondContact O-N 3.02Å; M207-F210 CarbonylContact O-C 3.58Å; M207-F210 WeakPolarHBondContact O-CB 3.08Å; M207-F210 PolarHBondContact O-N 3.2Å; M207-F210 VanDerWaalsContact O-N 3.14Å; M207-M211 HydrophobicContact CB-CE 4.18Å; M207-M211 HydrophobicContact CE-CE 4.1Å; M207-M211 HydrophobicContact CE-SD 4.22Å; M207-M211 HydrophobicContact CG-CE 3.9Å; M207-M211 HydrophobicContact CG-CG 4.31Å; M207-M211 HydrophobicContact CG-SD 3.92Å; M207-M211 WeakPolarHBondContact O-CB 3.44Å; M207-M211 WeakPolarHBondContact O-CE 2.98Å; M207-M211 WeakPolarHBondContact O-CG 3.3Å; M207-M211 PolarHBondContact O-N 3.29Å
208	K	44.6	Very low	41.6	Very low	45 Å²	45	69.5 Å²	69.5	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-56.9	-45.1	171.3	-175.9	175.2	-177.9	173.8	0	111	P118 E119 L204 K205 H206 M211 N212	P118-K208 HydrophobicContact CB-CB 3.72Å; P118-K208 HydrophobicContact CB-CD 4Å; P118-K208 HydrophobicContact CB-CG 3.68Å; E119-K208 IonicContact OE1-NZ 3.78Å; E119-K208 PolarHBondContact OE1-NZ 3.26Å; L204-K208 PolarHBondContact O-N 2.69Å; K205-K208 WeakPolarHBondContact O-CB 3.43Å; K205-K208 PolarHBondContact O-N 2.78Å; H206-K208 VanDerWaalsContact C-N 3.34Å; H206-K208 PolarHBondContact O-N 3Å; K208-M211 PolarHBondContact O-N 3.15Å; K208-N212 VanDerWaalsContact O-CB 3.3Å; K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 VanDerWaalsContact O-CG 3.28Å; K208-N212 PolarHBondContact O-N 2.81Å
209	S	46.2	Very low	40.9	Very low	63 Å²	63	66.2 Å²	66.2	44%	0.441	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-42.9	173.6	-63.3	0	0	0	0	112.4	K205 H206 M207 M211 M213	K205-S209 PolarHBondContact O-N 2.96Å; K205-S209 PolarHBondContact O-OG 3.37Å; H206-S209 CarbonylContact O-C 3.56Å; H206-S209 WeakPolarHBondContact O-CA 3.38Å; H206-S209 WeakPolarHBondContact O-CB 3.3Å; H206-S209 PolarHBondContact O-N 3.13Å; M207-S209 VanDerWaalsContact C-N 3.31Å; M207-S209 PolarHBondContact O-N 3.02Å; S209-M211 VanDerWaalsContact C-N 3.32Å; S209-M211 PolarHBondContact O-N 3.22Å; S209-M213 WeakPolarHBondContact O-CG 3.4Å; S209-M213 PolarHBondContact O-N 3.22Å
210	F	43.3	Very low	40.2	Very low	66 Å²	66	69 Å²	69	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-35.6	175.8	-74.6	-68.8	0	0	0	113	V190 H206 M207	V190-F210 HydrophobicContact CB-CE1 4.05Å; V190-F210 HydrophobicContact CG1-CE1 3.82Å; V190-F210 HydrophobicContact CG1-CZ 3.82Å; V190-F210 HydrophobicContact CG2-CE1 3.82Å; V190-F210 HydrophobicContact CG2-CZ 4.4Å; H206-F210 VanDerWaalsContact C-CD2 3.41Å; H206-F210 HydrophobicContact CB-CD2 4.31Å; H206-F210 HydrophobicContact CB-CE2 4.02Å; H206-F210 WeakPolarHBondContact O-CD2 3.07Å; H206-F210 PolarHBondContact O-N 3.13Å; M207-F210 CarbonylContact O-C 3.58Å; M207-F210 WeakPolarHBondContact O-CB 3.08Å; M207-F210 PolarHBondContact O-N 3.2Å; M207-F210 VanDerWaalsContact O-N 3.14Å
211	M	46.8	Very low	39.2	Very low	58 Å²	58	74.3 Å²	74.3	29%	0.286	37%	0.372	S	S	.	.	H	α-helix	trans	-86.1	-27.5	-176.5	-67.1	179.5	-53.5	0	0	113	L101 P118 M207 K208 S209 M213	L101-M211 HydrophobicContact CD1-CE 3.69Å; L101-M211 HydrophobicContact CD1-CG 4.32Å; L101-M211 HydrophobicContact CD1-SD 3.14Å; L101-M211 WeakPolarHBondContact CD1-SD 3.25Å; P118-M211 HydrophobicContact CB-CE 3.81Å; P118-M211 HydrophobicContact CG-CE 3.68Å; M207-M211 HydrophobicContact CB-CE 4.18Å; M207-M211 HydrophobicContact CE-CE 4.1Å; M207-M211 HydrophobicContact CE-SD 4.22Å; M207-M211 HydrophobicContact CG-CE 3.9Å; M207-M211 HydrophobicContact CG-CG 4.31Å; M207-M211 HydrophobicContact CG-SD 3.92Å; M207-M211 WeakPolarHBondContact O-CB 3.44Å; M207-M211 WeakPolarHBondContact O-CE 2.98Å; M207-M211 WeakPolarHBondContact O-CG 3.3Å; M207-M211 PolarHBondContact O-N 3.29Å; K208-M211 PolarHBondContact O-N 3.15Å; S209-M211 VanDerWaalsContact C-N 3.32Å; S209-M211 PolarHBondContact O-N 3.22Å; M211-M213 VanDerWaalsContact C-N 3.32Å
212	N	42.4	Very low	38.3	Very low	112 Å²	112	78 Å²	78	60%	0.599	38%	0.376	S	S	*	.	H	α-helix	trans	-75.4	-22	173	-77.7	-1.8	0	0	0	112.6	K208 S214	K208-N212 VanDerWaalsContact O-CB 3.3Å; K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 VanDerWaalsContact O-CG 3.28Å; K208-N212 PolarHBondContact O-N 2.81Å; N212-S214 PolarHBondContact O-N 3.12Å
213	M	40.2	Very low	37.5	Very low	81 Å²	81	78.4 Å²	78.4	40%	0.399	38%	0.378	S	S	.	.	S	Bend	trans	-72.1	123.7	166	-69.3	177.8	179.5	0	0	107.5	I188 S209 M211 M215	I188-M213 HydrophobicContact CD1-CE 3.66Å; I188-M213 HydrophobicContact CD1-SD 3.94Å; S209-M213 WeakPolarHBondContact O-CG 3.4Å; S209-M213 PolarHBondContact O-N 3.22Å; M211-M213 VanDerWaalsContact C-N 3.32Å; M213-M215 PolarHBondContact O-N 2.96Å
214	S	36.3	Very low	36.3	Very low	53 Å²	53	85.1 Å²	85.1	37%	0.371	40%	0.402	S	S	.	.			trans	-47.8	136.1	174.9	51.5	0	0	0	0	109.3	N212 I216 N217	N212-S214 PolarHBondContact O-N 3.12Å; S214-I216 PolarHBondContact O-N 2.73Å; S214-N217 PolarHBondContact O-N 2.88Å; S214-N217 VanDerWaalsContact OG-CG 3.23Å; S214-N217 PolarHBondContact OG-OD1 2.95Å
215	M	36.2	Very low	35.1	Very low	92 Å²	92	93 Å²	93	45%	0.453	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	2	173.2	-65.8	-161.3	-173	0	0	113.4	P94 I180 V183 M213	P94-M215 HydrophobicContact CG-CE 4.46Å; I180-M215 HydrophobicContact CG2-SD 4.24Å; V183-M215 PolarHBondContact N-O 2.82Å; M213-M215 PolarHBondContact O-N 2.96Å
216	I	32.3	Very low	34.1	Very low	94 Å²	94	98.3 Å²	98.3	48%	0.482	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-14	178.4	-56.4	169.4	0	0	0	111.6	V183 Y184 S185 S214	V183-I216 CarbonylContact O-C 3.56Å; Y184-I216 CarbonylContact C-O 3.59Å; S185-I216 WeakPolarHBondContact CA-O 3.43Å; S185-I216 WeakPolarHBondContact CB-O 3.29Å; S185-I216 PolarHBondContact N-O 2.8Å; S185-I216 PolarHBondContact OG-O 3.13Å; S214-I216 PolarHBondContact O-N 2.73Å
217	N	31.3	Very low	33.5	Very low	65 Å²	65	98.3 Å²	98.3	35%	0.348	47%	0.47	S	S	.	.			trans	-113.1	31.5	-167.8	-64.5	22	0	0	0	114.9	S185 S214	S185-N217 CarbonylContact O-C 3.51Å; S185-N217 VanDerWaalsContact O-CA 3.3Å; S185-N217 WeakPolarHBondContact O-CA 3.25Å; S185-N217 WeakPolarHBondContact OG-CA 3.4Å; S185-N217 VanDerWaalsContact OG-CG 3.25Å; S185-N217 PolarHBondContact OG-OD1 3.47Å; S214-N217 PolarHBondContact O-N 2.88Å; S214-N217 VanDerWaalsContact OG-CG 3.23Å; S214-N217 PolarHBondContact OG-OD1 2.95Å
218	W	31.2	Very low	32.7	Very low	46 Å²	46	102.4 Å²	102.4	17%	0.174	49%	0.49	C	S	.	.			trans	-97.1	124.9	-175.8	-73.7	36.8	0	0	0	111.1	A182 L192	A182-W218 HydrophobicContact CB-CB 3.83Å; A182-W218 HydrophobicContact CB-CD2 4.39Å; A182-W218 HydrophobicContact CB-CE3 4.21Å; A182-W218 HydrophobicContact CB-CG 4.29Å; L192-W218 HydrophobicContact CD1-CZ3 4.48Å
219	T	27.6	Very low	32.1	Very low	35 Å²	35	105.6 Å²	105.6	22%	0.215	51%	0.506	C	S	.	.			trans	-121.2	109.6	164.6	-43	0	0	0	0	109.9	S185 I188 S189 R221	S185-T219 PolarHBondContact O-OG1 3.16Å; I188-T219 PolarHBondContact O-N 3.01Å; S189-T219 VanDerWaalsContact CA-O 3.26Å; S189-T219 WeakPolarHBondContact CA-O 3.36Å; T219-R221 HydrophobicContact CG2-CG 4.19Å; T219-R221 PolarHBondContact O-N 2.97Å
220	I	26.1	Very low	31.3	Very low	79 Å²	79	108.1 Å²	108.1	41%	0.405	51%	0.51	S	S	.	.			trans	-80.6	109.6	172.6	-55.8	-179.9	0	0	0	108	C139	C139-I220 HydrophobicContact CB-CD1 4.49Å; C139-I220 WeakPolarHBondContact SG-CD1 3.24Å
221	R	23.3	Very low	30.5	Very low	181 Å²	181	110.8 Å²	110.8	68%	0.683	52%	0.524	S	S	*	.			trans	-116	139.1	171.4	-81	-169.5	177.8	-176.7	2.2	111.7	T219	T219-R221 HydrophobicContact CG2-CG 4.19Å; T219-R221 PolarHBondContact O-N 2.97Å
222	Y	23.1	Very low	29.4	Very low	162 Å²	162	114.3 Å²	114.3	64%	0.635	54%	0.54	S	S	*	.			trans	-62.4	134.6	180	-60.7	-93.6	0	0	0	112
223	I	22.7	Very low	28.5	Very low	115 Å²	115	114.4 Å²	114.4	59%	0.59	54%	0.536	S	S	*	.			trans	-120.5	107.7	148.1	-57	179.6	0	0	0	105.9	H225	I223-H225 PolarHBondContact O-N 3.32Å
224	Y	20.1	Very low	27.6	Very low	199 Å²	199	117 Å²	117	78%	0.78	55%	0.546	S	S	*	.			trans	-69.5	118.4	165	-96.5	-92.3	0	0	0	107.3
225	H	21.5	Very low	26.9	Very low	175 Å²	175	122.3 Å²	122.3	81%	0.81	56%	0.561	S	S	*	*			trans	-99.8	115.9	152.4	-95.9	-75.3	0	0	0	107.2	I223	I223-H225 PolarHBondContact O-N 3.32Å
226	I	27.1	Very low	26	Very low	225 Å²	225	125.1 Å²	125.1	100%	1.154	57%	0.571	S	S	*	*			trans	-69.9	0	163.3	-60.8	173.3	0	0	0	107.6

Retrieved 226 of 226 residues in 144.1 ms (Link to these results)

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