A0A077ZF74_TRITR Loading...

BTB 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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	42.1	Very low	36	Very low	246 Å²	246	157.9 Å²	157.9	100%	1.212	82%	0.818	S	S	*	*				0	103.6	0	-82.2	172.6	-175.8	0	0	105.5	D3	M1-D3 PolarHBondContact O-N 3.44Å
2	E	40	Very low	36	Very low	191 Å²	191	151.8 Å²	151.8	89%	0.893	81%	0.809	S	S	*	*			trans	-74.1	119.7	-179.3	-73.2	169.1	137.2	0	0	108.5	V4	E2-V4 PolarHBondContact O-N 3.27Å
3	D	36.7	Very low	36	Very low	150 Å²	150	145.5 Å²	145.5	80%	0.802	79%	0.79	S	S	*	*			trans	-79	102.5	-177.6	-160.4	5.9	0	0	0	108.4	M1 R5	M1-D3 PolarHBondContact O-N 3.44Å; D3-R5 PolarHBondContact O-N 3.49Å; D3-R5 VanDerWaalsContact O-N 3.08Å
4	V	36.1	Very low	36	Very low	118 Å²	118	146.7 Å²	146.7	72%	0.715	80%	0.795	S	S	*	*			trans	-75	97.3	179.8	175.4	0	0	0	0	107.9	E2 V6	E2-V4 PolarHBondContact O-N 3.27Å; V4-V6 PolarHBondContact O-N 3.39Å; V4-V6 VanDerWaalsContact O-N 3.14Å
5	R	33.1	Very low	36.1	Very low	218 Å²	218	147.8 Å²	147.8	82%	0.823	79%	0.793	S	S	*	*			trans	-65.1	109.4	169.2	-74.6	-177.2	178.8	-175.5	-0.7	109.4	D3 E7	D3-R5 PolarHBondContact O-N 3.49Å; D3-R5 VanDerWaalsContact O-N 3.08Å; R5-E7 PolarHBondContact O-N 3.35Å
6	V	35.3	Very low	35.9	Very low	124 Å²	124	149.9 Å²	149.9	75%	0.752	80%	0.796	S	S	*	*			trans	-79.1	103	167.1	-176.9	0	0	0	0	106.7	V4 E8	V4-V6 PolarHBondContact O-N 3.39Å; V4-V6 VanDerWaalsContact O-N 3.14Å; V6-E8 PolarHBondContact O-N 3.25Å
7	E	29.6	Very low	35.7	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.804	80%	0.801	S	S	*	*			trans	-70.9	109	171.5	-69.4	-112.4	145.6	0	0	108.5	R5	R5-E7 PolarHBondContact O-N 3.35Å
8	E	32.3	Very low	35.5	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	80%	0.796	S	S	*	*			trans	-69.4	133	169.4	-75.5	-170.8	154.9	0	0	110	V6	V6-E8 PolarHBondContact O-N 3.25Å
9	P	33.2	Very low	35.1	Very low	105 Å²	105	148.4 Å²	148.4	68%	0.682	80%	0.797	S	S	*	*			trans	-68.2	146.8	179.2	26.1	-30.8	0	0	0	111.3	T11	P9-T11 PolarHBondContact O-N 2.85Å
10	P	38	Very low	34.8	Very low	112 Å²	112	149.3 Å²	149.3	73%	0.727	80%	0.796	S	S	*	*			trans	-71	105.8	-166.8	26.8	-32.5	0	0	0	111.7	A12	P10-A12 PolarHBondContact O-N 2.81Å
11	T	40.1	Very low	34.6	Very low	128 Å²	128	152.5 Å²	152.5	79%	0.785	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-0.1	-174.8	-2.6	0	0	0	0	115	P9	P9-T11 PolarHBondContact O-N 2.85Å
12	A	36.4	Very low	33.9	Very low	85 Å²	85	149.7 Å²	149.7	70%	0.702	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-9.2	-171.4	0	0	0	0	0	115.7	P10	P10-A12 PolarHBondContact O-N 2.81Å
13	A	35.5	Very low	33.6	Very low	69 Å²	69	147.5 Å²	147.5	57%	0.57	78%	0.781	S	S	*	*	S	Bend	trans	-91.5	-9.7	-172.6	0	0	0	0	0	115.2
14	L	35.7	Very low	33.2	Very low	163 Å²	163	146.9 Å²	146.9	85%	0.853	78%	0.783	S	S	*	*	S	Bend	trans	-95	-13.2	-175	-71.5	174.4	0	0	0	114.7
15	Q	37.1	Very low	32.9	Very low	163 Å²	163	144.4 Å²	144.4	76%	0.762	78%	0.781	S	S	*	*	S	Bend	trans	-90.5	-13.8	-177.2	-86.5	170.3	-52.6	0	0	114.7
16	E	33.4	Very low	32.5	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	78%	0.783	S	S	*	*	S	Bend	trans	-92.8	-5.7	-177.3	-85.7	-167.9	152.1	0	0	115.8
17	M	32.7	Very low	32.1	Very low	178 Å²	178	142.9 Å²	142.9	88%	0.877	78%	0.784	S	S	*	*	S	Bend	trans	-92.2	-2	178.6	-65.5	-171	72.3	0	0	114.7
18	A	31.4	Very low	32	Very low	87 Å²	87	140.6 Å²	140.6	72%	0.719	78%	0.782	S	S	*	*	S	Bend	trans	-90.4	0.9	-175.1	0	0	0	0	0	114.9
19	L	28	Very low	31.6	Very low	156 Å²	156	137.6 Å²	137.6	82%	0.817	78%	0.775	S	S	*	*			trans	-128.8	65.5	-173.6	-75	168.1	0	0	0	112.2
20	Q	30.2	Very low	31.1	Very low	166 Å²	166	143.7 Å²	143.7	78%	0.776	78%	0.784	S	S	*	*			trans	-154	124.1	156.7	-114.2	164.3	36.9	0	0	112
21	R	29.5	Very low	30.6	Very low	218 Å²	218	143.1 Å²	143.1	82%	0.823	78%	0.779	S	S	*	*			trans	91.9	71.8	159.1	-54.1	177.9	-174.4	167.7	3.5	116.6	D23	R21-D23 PolarHBondContact O-N 2.81Å
22	L	28	Very low	30.2	Very low	187 Å²	187	142.5 Å²	142.5	98%	0.979	78%	0.78	S	S	*	*			trans	-66.6	99.4	131.8	-79.4	137.6	0	0	0	107.8
23	D	34.3	Very low	30.5	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	77%	0.768	S	S	*	*			trans	-146.6	132	149.2	-154.9	-0.8	0	0	0	110.1	R21 G25	R21-D23 PolarHBondContact O-N 2.81Å; D23-G25 PolarHBondContact O-N 3.16Å
24	T	28.6	Very low	30.9	Very low	138 Å²	138	146.7 Å²	146.7	85%	0.847	78%	0.775	S	S	*	*			trans	-74.9	112.4	-170.7	44.7	0	0	0	0	110.4
25	G	28.6	Very low	31.8	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	75%	0.753	S	S	*	*			trans	-152.1	88.9	170	0	0	0	0	0	109.3	D23 D27	D23-G25 PolarHBondContact O-N 3.16Å; G25-D27 PolarHBondContact O-N 3.41Å
26	L	25.7	Very low	32.8	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	74%	0.743	S	S	*	*			trans	-62.3	86	169.2	-104	80.3	0	0	0	108.8
27	D	26.5	Very low	34.4	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	73%	0.727	S	S	*	*			trans	-108.3	103.4	155.2	-83.2	-37.5	0	0	0	106.7	G25 V29	G25-D27 PolarHBondContact O-N 3.41Å; D27-V29 PolarHBondContact O-N 3.5Å
28	V	26.8	Very low	36.3	Very low	125 Å²	125	130.7 Å²	130.7	76%	0.758	71%	0.707	S	S	*	*			trans	-68.1	76.5	172.2	-177.3	0	0	0	0	107	R30	V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 2.65Å
29	V	23.8	Very low	38.3	Very low	110 Å²	110	130.9 Å²	130.9	67%	0.667	70%	0.7	S	S	*	*			trans	-67.1	102.5	167.2	-176.6	0	0	0	0	105.3	D27 V31	D27-V29 PolarHBondContact O-N 3.5Å; V29-V31 HydrophobicContact CB-CG2 4.38Å; V29-V31 HydrophobicContact CG1-CG2 3.64Å; V29-V31 PolarHBondContact O-N 2.98Å
30	R	23.2	Very low	40.2	Very low	232 Å²	232	125 Å²	125	88%	0.875	67%	0.669	S	S	*	*			trans	-62.7	77.4	165.4	-73.3	178.3	167.2	151.4	-3.5	107.8	V28 S32	V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 2.65Å; R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3Å; R30-S32 VanDerWaalsContact O-N 3.08Å
31	V	28.1	Very low	42.1	Very low	101 Å²	101	121.2 Å²	121.2	61%	0.612	67%	0.666	S	S	*	*			trans	-73.8	100.2	163	-173.5	0	0	0	0	104.7	V29 N33	V29-V31 HydrophobicContact CB-CG2 4.38Å; V29-V31 HydrophobicContact CG1-CG2 3.64Å; V29-V31 PolarHBondContact O-N 2.98Å; V31-N33 HydrophobicContact CG1-CB 3.95Å; V31-N33 PolarHBondContact O-N 2.96Å
32	S	31.4	Very low	44.3	Very low	115 Å²	115	112 Å²	112	80%	0.804	64%	0.639	S	S	*	*			trans	-65.1	73.6	164.2	45	0	0	0	0	107.8	R30 E34	R30-S32 VanDerWaalsContact C-N 3.32Å; R30-S32 PolarHBondContact O-N 3Å; R30-S32 VanDerWaalsContact O-N 3.08Å; S32-E34 PolarHBondContact O-N 2.7Å
33	N	41.3	Very low	47	Very low	85 Å²	85	105.6 Å²	105.6	46%	0.455	61%	0.612	S	S	.	*			trans	-85.4	100.2	178.4	-139.4	7.8	0	0	0	106.5	V31 S35 P85	V31-N33 HydrophobicContact CG1-CB 3.95Å; V31-N33 PolarHBondContact O-N 2.96Å; N33-S35 VanDerWaalsContact C-N 3.3Å; N33-S35 PolarHBondContact O-N 2.9Å; N33-S35 PolarHBondContact O-OG 3.26Å; N33-S35 VanDerWaalsContact O-OG 3.07Å; N33-P85 VanDerWaalsContact ND2-CD 3.31Å; N33-P85 WeakPolarHBondContact ND2-CD 3.41Å; N33-P85 WeakPolarHBondContact ND2-CG 3.44Å; N33-P85 WeakPolarHBondContact OD1-CG 3.16Å
34	E	44.8	Very low	49.4	Very low	156 Å²	156	103.1 Å²	103.1	73%	0.729	61%	0.605	S	S	*	*			trans	-55.7	94.1	178.7	-71.6	-173.4	161.3	0	0	109.6	S32 K36	S32-E34 PolarHBondContact O-N 2.7Å; E34-K36 PolarHBondContact O-N 3.08Å
35	S	54.1	Low	52.2	Low	55 Å²	55	101 Å²	101	39%	0.385	60%	0.596	S	S	.	*			trans	-82.5	114.6	175.6	-47.7	0	0	0	0	106.3	N33	N33-S35 VanDerWaalsContact C-N 3.3Å; N33-S35 PolarHBondContact O-N 2.9Å; N33-S35 PolarHBondContact O-OG 3.26Å; N33-S35 VanDerWaalsContact O-OG 3.07Å
36	K	58.8	Low	55.2	Low	128 Å²	128	102.5 Å²	102.5	56%	0.557	58%	0.584	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.2	128.6	-179.4	-72.6	-179.8	-177.8	172.7	0	109.4	E34 L38	E34-K36 PolarHBondContact O-N 3.08Å; K36-L38 PolarHBondContact O-N 2.89Å
37	P	66.8	Low	58.4	Low	77 Å²	77	102.6 Å²	102.6	50%	0.5	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.7	126.8	168.5	26.7	-31.1	0	0	0	108.5	E80	P37-E80 HydrophobicContact CB-CB 4.18Å
38	L	73.4	Confident	61.5	Low	89 Å²	89	96.3 Å²	96.3	47%	0.466	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.1	177.5	-64.7	176.3	0	0	0	109.6	K36 V81	K36-L38 PolarHBondContact O-N 2.89Å; L38-V81 PolarHBondContact N-O 2.95Å; L38-V81 VanDerWaalsContact N-O 3.11Å; L38-V81 WeakPolarHBondContact O-CG2 3.4Å; L38-V81 PolarHBondContact O-N 2.89Å
39	T	71.8	Confident	64.8	Low	91 Å²	91	94 Å²	94	56%	0.558	52%	0.521	S	S	*	.			trans	-93.9	121.5	169	53.8	0	0	0	0	109.1	E80	T39-E80 HydrophobicContact CG2-CG 4.25Å
40	I	68.8	Low	68.2	Low	33 Å²	33	88.8 Å²	88.8	17%	0.169	49%	0.49	C	S	.	.			trans	-97.9	114.3	178.5	-58.3	179.6	0	0	0	109.4	F75 G77 V81 T83 V89	I40-F75 HydrophobicContact CB-CD1 4.36Å; I40-F75 HydrophobicContact CD1-CD1 4.5Å; I40-F75 HydrophobicContact CD1-CE1 4Å; I40-F75 HydrophobicContact CG2-CD1 3.95Å; I40-F75 HydrophobicContact CG2-CE1 4.36Å; I40-F75 CarbonylContact O-C 3.58Å; I40-G77 PolarHBondContact O-N 2.81Å; I40-V81 HydrophobicContact CD1-CG2 3.55Å; I40-V81 HydrophobicContact CG1-CG2 3.76Å; I40-T83 HydrophobicContact CD1-CG2 4.47Å; I40-V89 HydrophobicContact CD1-CG2 3.46Å; I40-V89 VanDerWaalsContact CD1-CG2 3.46Å
41	A	70.3	Confident	71.7	Confident	87 Å²	87	79.5 Å²	79.5	72%	0.719	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-125.7	103	167.6	0	0	0	0	0	108.3
42	G	76.4	Confident	74.9	Confident	24 Å²	24	74.7 Å²	74.7	25%	0.247	43%	0.428	C	S	.	.			trans	-117.2	163.4	-176.5	0	0	0	0	0	113
43	A	83.9	Confident	77.8	Confident	52 Å²	52	71.5 Å²	71.5	43%	0.43	41%	0.414	S	S	.	.			trans	-63.3	148.5	170.4	0	0	0	0	0	110.1	S45 Q46	A43-S45 PolarHBondContact O-N 3.45Å; A43-S45 VanDerWaalsContact O-N 3.08Å; A43-Q46 WeakPolarHBondContact O-CB 3.41Å; A43-Q46 PolarHBondContact O-N 3.14Å
44	P	84.3	Confident	80.1	Confident	93 Å²	93	70 Å²	70	60%	0.604	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.1	-176.6	22.9	-34	0	0	0	113.9	T60 G62	P44-T60 WeakPolarHBondContact O-CB 3.39Å; P44-G62 WeakPolarHBondContact O-CA 3.48Å; P44-G62 PolarHBondContact O-N 3.36Å
45	S	87.3	Confident	82.6	Confident	94 Å²	94	67.7 Å²	67.7	66%	0.657	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.2	175.3	53.9	0	0	0	0	114.3	A43 Y47	A43-S45 PolarHBondContact O-N 3.45Å; A43-S45 VanDerWaalsContact O-N 3.08Å; S45-Y47 PolarHBondContact O-N 3.08Å
46	Q	91	Very high	84.5	Confident	96 Å²	96	69.8 Å²	69.8	45%	0.449	41%	0.41	S	S	.	.			trans	-70.8	128.4	-179.4	-176	177	-3.6	0	0	110.3	A43 T60 V61	A43-Q46 WeakPolarHBondContact O-CB 3.41Å; A43-Q46 PolarHBondContact O-N 3.14Å; Q46-T60 CarbonylContact O-C 3.32Å; Q46-T60 VanDerWaalsContact O-CA 3.26Å; Q46-T60 WeakPolarHBondContact O-CA 3.35Å; Q46-V61 HydrophobicContact CB-CG2 4.26Å; Q46-V61 PolarHBondContact O-N 3.28Å
47	Y	93	Very high	86.3	Confident	167 Å²	167	65.5 Å²	65.5	66%	0.655	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.9	171.3	-81.1	-98.7	0	0	0	111.2	S45 T59 T60	S45-Y47 PolarHBondContact O-N 3.08Å; Y47-T59 CarbonylContact C-O 3.54Å; Y47-T59 VanDerWaalsContact CA-O 3.3Å; Y47-T59 WeakPolarHBondContact CA-O 3.34Å; Y47-T60 HydrophobicContact CD1-CG2 4.14Å; Y47-T60 HydrophobicContact CD2-CG2 3.89Å; Y47-T60 HydrophobicContact CE1-CG2 3.97Å; Y47-T60 HydrophobicContact CE2-CG2 3.68Å; Y47-T60 HydrophobicContact CG-CG2 4.12Å
48	V	93.2	Very high	87.7	Confident	12 Å²	12	67.9 Å²	67.9	7%	0.073	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.7	177.3	-65.4	0	0	0	0	110.2	T59 V61 L64 F75	V48-T59 HydrophobicContact CG2-CG2 4.16Å; V48-T59 WeakPolarHBondContact CG2-O 3.43Å; V48-T59 PolarHBondContact N-O 3.04Å; V48-T59 PolarHBondContact O-N 3.08Å; V48-V61 HydrophobicContact CG1-CG2 3.58Å; V48-L64 HydrophobicContact CG2-CD1 3.62Å; V48-F75 HydrophobicContact CB-CE1 3.9Å; V48-F75 HydrophobicContact CG1-CD1 4.13Å; V48-F75 HydrophobicContact CG1-CE1 3.91Å; V48-F75 HydrophobicContact CG2-CD1 4.27Å; V48-F75 HydrophobicContact CG2-CE1 3.81Å; V48-F75 HydrophobicContact CG2-CZ 4.3Å
49	K	94.8	Very high	88.7	Confident	78 Å²	78	63.7 Å²	63.7	34%	0.339	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.3	179.9	-53.4	-169.8	-172.2	165.2	0	109.8	Y58 D86 W88 V89	K49-Y58 HydrophobicContact CB-CE1 4.4Å; K49-Y58 HydrophobicContact CD-CE1 3.96Å; K49-Y58 HydrophobicContact CG-CD1 4.07Å; K49-Y58 HydrophobicContact CG-CE1 3.6Å; K49-D86 PolarHBondContact NZ-O 2.93Å; K49-W88 HydrophobicContact CB-CD2 3.71Å; K49-W88 HydrophobicContact CB-CE3 3.47Å; K49-W88 VanDerWaalsContact CB-CE3 3.47Å; K49-W88 HydrophobicContact CB-CG 4.25Å; K49-W88 HydrophobicContact CB-CH2 4.31Å; K49-W88 HydrophobicContact CB-CZ3 3.78Å; K49-W88 HydrophobicContact CD-CD2 4.12Å; K49-W88 HydrophobicContact CD-CZ2 4.1Å; K49-V89 PolarHBondContact O-N 2.78Å
50	L	96	Very high	89.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	-179.2	-62.7	169.4	0	0	0	109.9	V52 L56 Y57 T59 L64 F75 W88 V89 I91 F98	L50-V52 HydrophobicContact CB-CG2 4.38Å; L50-L56 WeakPolarHBondContact O-CA 3.41Å; L50-Y57 PolarHBondContact N-O 3.26Å; L50-Y57 PolarHBondContact O-N 3.07Å; L50-T59 HydrophobicContact CD1-CG2 3.96Å; L50-L64 HydrophobicContact CD1-CD1 4.08Å; L50-L64 HydrophobicContact CD1-CD2 4.19Å; L50-L64 HydrophobicContact CD2-CD1 4.38Å; L50-F75 HydrophobicContact CD2-CE2 3.81Å; L50-F75 HydrophobicContact CD2-CZ 3.45Å; L50-F75 VanDerWaalsContact CD2-CZ 3.45Å; L50-W88 VanDerWaalsContact C-CE3 3.46Å; L50-W88 VanDerWaalsContact O-CZ3 3.29Å; L50-W88 WeakPolarHBondContact O-CZ3 3.42Å; L50-V89 HydrophobicContact CD2-CB 4.1Å; L50-V89 HydrophobicContact CD2-CG1 4.4Å; L50-I91 HydrophobicContact CD2-CD1 4.26Å; L50-F98 HydrophobicContact CD1-CE1 3.78Å; L50-F98 HydrophobicContact CD1-CZ 3.99Å
51	N	96.3	Very high	90.9	Very high	37 Å²	37	59.1 Å²	59.1	20%	0.198	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	105.1	170.1	-178.3	-12.5	0	0	0	108.4	G54 Y55 L56 W88 V89 L90 I91	N51-G54 WeakPolarHBondContact OD1-CA 3.26Å; N51-G54 PolarHBondContact OD1-N 3.13Å; N51-Y55 WeakPolarHBondContact CA-O 3.5Å; N51-L56 HydrophobicContact CB-CD2 3.95Å; N51-W88 HydrophobicContact CB-CB 4.14Å; N51-W88 HydrophobicContact CB-CE3 4.17Å; N51-V89 PolarHBondContact N-O 2.89Å; N51-L90 HydrophobicContact CB-CD2 3.81Å; N51-I91 PolarHBondContact O-N 3.27Å
52	V	95	Very high	92	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	95.7	-175.8	-169.8	0	0	0	0	108.6	L50 G54 Y55 Y57 I91 R93 G95 F98 Y129	L50-V52 HydrophobicContact CB-CG2 4.38Å; V52-G54 PolarHBondContact O-N 3.43Å; V52-G54 VanDerWaalsContact O-N 3.15Å; V52-Y55 PolarHBondContact N-O 3.26Å; V52-Y55 WeakPolarHBondContact O-CB 3.19Å; V52-Y55 PolarHBondContact O-N 3.28Å; V52-Y57 HydrophobicContact CB-CD2 4.46Å; V52-Y57 HydrophobicContact CB-CE2 4.44Å; V52-Y57 HydrophobicContact CG2-CD2 4.07Å; V52-Y57 HydrophobicContact CG2-CE2 4.47Å; V52-I91 HydrophobicContact CB-CB 4.48Å; V52-I91 HydrophobicContact CG1-CB 4.26Å; V52-I91 HydrophobicContact CG1-CG2 4.22Å; V52-I91 HydrophobicContact CG2-CB 4.23Å; V52-I91 HydrophobicContact CG2-CD1 4.16Å; V52-R93 CarbonylContact C-O 3.56Å; V52-R93 HydrophobicContact CG1-CB 4.08Å; V52-G95 WeakPolarHBondContact O-CA 3.04Å; V52-G95 PolarHBondContact O-N 2.95Å; V52-F98 HydrophobicContact CB-CG 4.39Å; V52-F98 HydrophobicContact CG1-CB 4.36Å; V52-F98 HydrophobicContact CG1-CD2 4.18Å; V52-F98 HydrophobicContact CG1-CG 4.26Å; V52-F98 HydrophobicContact CG2-CD1 3.87Å; V52-F98 HydrophobicContact CG2-CD2 4.15Å; V52-F98 HydrophobicContact CG2-CE1 3.97Å; V52-F98 HydrophobicContact CG2-CE2 4.28Å; V52-F98 HydrophobicContact CG2-CG 3.94Å; V52-F98 HydrophobicContact CG2-CZ 4.18Å; V52-Y129 WeakPolarHBondContact CG1-OH 3.47Å
53	G	92.1	Very high	92.8	Very high	48 Å²	48	55.9 Å²	55.9	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.7	-177.7	0	0	0	0	0	114.4	I91 R93	G53-I91 PolarHBondContact N-O 3.3Å; G53-R93 WeakPolarHBondContact CA-O 3.34Å; G53-R93 PolarHBondContact N-O 2.77Å; G53-R93 VanDerWaalsContact N-O 3.08Å
54	G	91.3	Very high	93.3	Very high	54 Å²	54	53.4 Å²	53.4	56%	0.557	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	-11.6	-177.3	0	0	0	0	0	115	N51 V52	N51-G54 WeakPolarHBondContact OD1-CA 3.26Å; N51-G54 PolarHBondContact OD1-N 3.13Å; V52-G54 PolarHBondContact O-N 3.43Å; V52-G54 VanDerWaalsContact O-N 3.15Å
55	Y	95.6	Very high	93.6	Very high	106 Å²	106	50.6 Å²	50.6	42%	0.416	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.6	176	-66.7	-103.7	0	0	0	110.9	N51 V52 Y57 G95 K96	N51-Y55 WeakPolarHBondContact CA-O 3.5Å; V52-Y55 PolarHBondContact N-O 3.26Å; V52-Y55 WeakPolarHBondContact O-CB 3.19Å; V52-Y55 PolarHBondContact O-N 3.28Å; Y55-Y57 VanDerWaalsContact CB-CE2 3.48Å; Y55-Y57 WeakPolarHBondContact O-CD2 3.39Å; Y55-G95 VanDerWaalsContact CD2-CA 3.44Å; Y55-K96 HydrophobicContact CE2-CB 4.4Å
56	L	95.1	Very high	93.7	Very high	100 Å²	100	51.1 Å²	51.1	52%	0.524	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.6	-173.2	-56.4	-175.4	0	0	0	111.2	L50 N51 W88	L50-L56 WeakPolarHBondContact O-CA 3.41Å; N51-L56 HydrophobicContact CB-CD2 3.95Å; L56-W88 HydrophobicContact CB-CH2 3.67Å; L56-W88 HydrophobicContact CB-CZ3 3.76Å; L56-W88 HydrophobicContact CD1-CH2 3.98Å; L56-W88 HydrophobicContact CD1-CZ2 4.07Å; L56-W88 HydrophobicContact CD2-CD2 4.27Å; L56-W88 HydrophobicContact CD2-CE3 3.93Å; L56-W88 HydrophobicContact CD2-CH2 3.97Å; L56-W88 HydrophobicContact CD2-CZ2 4.27Å; L56-W88 HydrophobicContact CD2-CZ3 3.8Å; L56-W88 HydrophobicContact CG-CH2 4.08Å; L56-W88 HydrophobicContact CG-CZ3 4.24Å
57	Y	97	Very high	93.6	Very high	38 Å²	38	49.5 Å²	49.5	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.9	178.6	-63.8	-84.4	0	0	0	112.3	L50 V52 Y55 G95 F98 D99 L102	L50-Y57 PolarHBondContact N-O 3.26Å; L50-Y57 PolarHBondContact O-N 3.07Å; V52-Y57 HydrophobicContact CB-CD2 4.46Å; V52-Y57 HydrophobicContact CB-CE2 4.44Å; V52-Y57 HydrophobicContact CG2-CD2 4.07Å; V52-Y57 HydrophobicContact CG2-CE2 4.47Å; Y55-Y57 VanDerWaalsContact CB-CE2 3.48Å; Y55-Y57 WeakPolarHBondContact O-CD2 3.39Å; Y57-G95 PolarHBondContact OH-O 3.04Å; Y57-F98 HydrophobicContact CD1-CD1 4.17Å; Y57-F98 HydrophobicContact CD2-CB 4.39Å; Y57-F98 AromaticContact CD2-CD1 3.45Å; Y57-F98 HydrophobicContact CD2-CD1 3.45Å; Y57-F98 VanDerWaalsContact CD2-CD1 3.45Å; Y57-F98 HydrophobicContact CD2-CE1 4.15Å; Y57-F98 HydrophobicContact CD2-CG 4.28Å; Y57-F98 HydrophobicContact CE1-CD1 4.35Å; Y57-F98 HydrophobicContact CE2-CB 3.69Å; Y57-F98 AromaticContact CE2-CD1 3.64Å; Y57-F98 HydrophobicContact CE2-CD1 3.64Å; Y57-F98 HydrophobicContact CE2-CG 4.07Å; Y57-F98 AromaticContact CG-CD1 3.73Å; Y57-F98 HydrophobicContact CG-CD1 3.73Å; Y57-F98 HydrophobicContact CG-CE1 4.21Å; Y57-D99 HydrophobicContact CE1-CB 4.05Å; Y57-L102 HydrophobicContact CD1-CD1 3.57Å; Y57-L102 HydrophobicContact CE1-CD1 4.39Å; Y57-L102 HydrophobicContact CG-CD1 3.88Å
58	Y	95.2	Very high	93.4	Very high	126 Å²	126	47.3 Å²	47.3	49%	0.494	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.4	173	-68.7	-94.2	0	0	0	109.6	K49 W88 R106	K49-Y58 HydrophobicContact CB-CE1 4.4Å; K49-Y58 HydrophobicContact CD-CE1 3.96Å; K49-Y58 HydrophobicContact CG-CD1 4.07Å; K49-Y58 HydrophobicContact CG-CE1 3.6Å; Y58-W88 HydrophobicContact CD2-CH2 4.32Å; Y58-W88 HydrophobicContact CE1-CH2 4.2Å; Y58-W88 AromaticContact CE2-CH2 3.46Å; Y58-W88 HydrophobicContact CE2-CH2 3.46Å; Y58-W88 VanDerWaalsContact CE2-CH2 3.46Å; Y58-W88 HydrophobicContact CE2-CZ2 4.27Å; Y58-W88 HydrophobicContact CE2-CZ3 4.26Å; Y58-W88 AromaticContact CZ-CH2 3.38Å; Y58-W88 AromaticContact CZ-CZ2 3.82Å; Y58-W88 VanDerWaalsContact OH-CH2 3.27Å; Y58-W88 WeakPolarHBondContact OH-CH2 3.46Å; Y58-W88 WeakPolarHBondContact OH-CZ2 3.27Å; Y58-R106 PolarHBondContact O-NH2 3.31Å
59	T	94.9	Very high	93.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	175.2	177.6	-161.6	0	0	0	0	110.4	Y47 V48 L50 T63 L64 L102 R106	Y47-T59 CarbonylContact C-O 3.54Å; Y47-T59 VanDerWaalsContact CA-O 3.3Å; Y47-T59 WeakPolarHBondContact CA-O 3.34Å; V48-T59 HydrophobicContact CG2-CG2 4.16Å; V48-T59 WeakPolarHBondContact CG2-O 3.43Å; V48-T59 PolarHBondContact N-O 3.04Å; V48-T59 PolarHBondContact O-N 3.08Å; L50-T59 HydrophobicContact CD1-CG2 3.96Å; T59-T63 WeakPolarHBondContact OG1-CB 3.36Å; T59-L64 HydrophobicContact CG2-CD1 3.67Å; T59-L64 HydrophobicContact CG2-CD2 3.76Å; T59-L64 HydrophobicContact CG2-CG 3.58Å; T59-L102 HydrophobicContact CG2-CD2 4Å; T59-R106 PolarHBondContact OG1-NH2 3.47Å
60	T	93.4	Very high	93.3	Very high	24 Å²	24	45.7 Å²	45.7	15%	0.147	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	151.3	177.7	60.7	0	0	0	0	112.1	P44 Q46 Y47 G62 T63 L64	P44-T60 WeakPolarHBondContact O-CB 3.39Å; Q46-T60 CarbonylContact O-C 3.32Å; Q46-T60 VanDerWaalsContact O-CA 3.26Å; Q46-T60 WeakPolarHBondContact O-CA 3.35Å; Y47-T60 HydrophobicContact CD1-CG2 4.14Å; Y47-T60 HydrophobicContact CD2-CG2 3.89Å; Y47-T60 HydrophobicContact CE1-CG2 3.97Å; Y47-T60 HydrophobicContact CE2-CG2 3.68Å; Y47-T60 HydrophobicContact CG-CG2 4.12Å; T60-G62 PolarHBondContact O-N 3.21Å; T60-T63 WeakPolarHBondContact O-CB 3.13Å; T60-T63 PolarHBondContact O-N 3.2Å; T60-T63 PolarHBondContact OG1-N 3.09Å; T60-T63 PolarHBondContact OG1-OG1 3.11Å; T60-L64 PolarHBondContact O-N 3.35Å
61	V	92.3	Very high	93.2	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-53.1	-40.4	170.3	174.3	0	0	0	0	110.5	Q46 V48 T63 L64 T65 F75	Q46-V61 HydrophobicContact CB-CG2 4.26Å; Q46-V61 PolarHBondContact O-N 3.28Å; V48-V61 HydrophobicContact CG1-CG2 3.58Å; V61-T63 VanDerWaalsContact C-N 3.29Å; V61-T63 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.43Å; V61-T65 HydrophobicContact CG1-CG2 4.08Å; V61-T65 WeakPolarHBondContact O-CB 3.38Å; V61-T65 WeakPolarHBondContact O-CG2 3.48Å; V61-T65 PolarHBondContact O-N 2.69Å; V61-T65 PolarHBondContact O-OG1 3.25Å; V61-F75 HydrophobicContact CG1-CB 4.35Å
62	G	93.1	Very high	93	Very high	23 Å²	23	47.2 Å²	47.2	24%	0.237	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-35.8	177.1	0	0	0	0	0	113.7	P44 T60 K66	P44-G62 WeakPolarHBondContact O-CA 3.48Å; P44-G62 PolarHBondContact O-N 3.36Å; T60-G62 PolarHBondContact O-N 3.21Å; G62-K66 WeakPolarHBondContact O-CB 3.41Å; G62-K66 PolarHBondContact O-N 3.12Å; G62-K66 VanDerWaalsContact O-N 3.12Å
63	T	94.1	Very high	92.7	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-48.3	175.5	-58.4	0	0	0	0	111	T59 T60 V61 T65 K66 L105 R106	T59-T63 WeakPolarHBondContact OG1-CB 3.36Å; T60-T63 WeakPolarHBondContact O-CB 3.13Å; T60-T63 PolarHBondContact O-N 3.2Å; T60-T63 PolarHBondContact OG1-N 3.09Å; T60-T63 PolarHBondContact OG1-OG1 3.11Å; V61-T63 VanDerWaalsContact C-N 3.29Å; V61-T63 PolarHBondContact O-N 3.44Å; T63-T65 PolarHBondContact O-N 3.3Å; T63-K66 WeakPolarHBondContact O-CB 3.49Å; T63-K66 PolarHBondContact O-N 3.32Å; T63-L105 HydrophobicContact CG2-CB 3.91Å; T63-R106 HydrophobicContact CG2-CG 3.52Å
64	L	94.1	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-25.3	-177.7	-63.1	176.2	0	0	0	112.9	V48 L50 T59 T60 V61 L71 R72 F75 L102 L105	V48-L64 HydrophobicContact CG2-CD1 3.62Å; L50-L64 HydrophobicContact CD1-CD1 4.08Å; L50-L64 HydrophobicContact CD1-CD2 4.19Å; L50-L64 HydrophobicContact CD2-CD1 4.38Å; T59-L64 HydrophobicContact CG2-CD1 3.67Å; T59-L64 HydrophobicContact CG2-CD2 3.76Å; T59-L64 HydrophobicContact CG2-CG 3.58Å; T60-L64 PolarHBondContact O-N 3.35Å; V61-L64 PolarHBondContact O-N 3.43Å; L64-L71 HydrophobicContact CB-CB 4.46Å; L64-L71 HydrophobicContact CD2-CB 4.34Å; L64-L71 HydrophobicContact CD2-CD1 4.15Å; L64-L71 CarbonylContact O-C 3.48Å; L64-R72 WeakPolarHBondContact O-CA 3.37Å; L64-R72 PolarHBondContact O-N 3.03Å; L64-F75 HydrophobicContact CB-CB 4.39Å; L64-F75 HydrophobicContact CB-CD2 4.05Å; L64-F75 HydrophobicContact CB-CG 4.31Å; L64-F75 HydrophobicContact CD1-CD1 4.1Å; L64-F75 HydrophobicContact CD1-CD2 3.42Å; L64-F75 VanDerWaalsContact CD1-CD2 3.42Å; L64-F75 HydrophobicContact CD1-CE1 4.08Å; L64-F75 HydrophobicContact CD1-CE2 3.43Å; L64-F75 VanDerWaalsContact CD1-CE2 3.43Å; L64-F75 HydrophobicContact CD1-CG 3.79Å; L64-F75 HydrophobicContact CD1-CZ 3.77Å; L64-F75 HydrophobicContact CG-CD2 4.33Å; L64-L102 HydrophobicContact CD2-CD2 3.95Å; L64-L105 HydrophobicContact CD2-CD1 4.09Å
65	T	91.2	Very high	92.6	Very high	34 Å²	34	44.4 Å²	44.4	21%	0.209	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	2.8	179	57.6	0	0	0	0	113.3	V61 T63 R72 F75	V61-T65 HydrophobicContact CG1-CG2 4.08Å; V61-T65 WeakPolarHBondContact O-CB 3.38Å; V61-T65 WeakPolarHBondContact O-CG2 3.48Å; V61-T65 PolarHBondContact O-N 2.69Å; V61-T65 PolarHBondContact O-OG1 3.25Å; T63-T65 PolarHBondContact O-N 3.3Å; T65-R72 HydrophobicContact CG2-CG 4.4Å; T65-R72 VanDerWaalsContact O-CZ 3.24Å; T65-R72 PolarHBondContact O-NE 3.46Å; T65-R72 PolarHBondContact O-NH2 3.41Å; T65-F75 HydrophobicContact CG2-CB 4.02Å
66	K	89.7	Confident	92.1	Very high	105 Å²	105	41.4 Å²	41.4	46%	0.457	21%	0.213	S	C	.	.	S	Bend	trans	-65.6	-40.8	-177.1	-166.2	-175.7	-175.1	178.1	0	113	G62 T63 R72 L105 R106	G62-K66 WeakPolarHBondContact O-CB 3.41Å; G62-K66 PolarHBondContact O-N 3.12Å; G62-K66 VanDerWaalsContact O-N 3.12Å; T63-K66 WeakPolarHBondContact O-CB 3.49Å; T63-K66 PolarHBondContact O-N 3.32Å; K66-R72 VanDerWaalsContact C-NH2 3.25Å; K66-R72 PolarHBondContact O-NH2 3.2Å; K66-L105 WeakPolarHBondContact CD-O 3.44Å; K66-R106 PolarHBondContact NZ-O 2.94Å
67	Q	87.6	Confident	91.5	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.29	20%	0.201	S	C	.	.	S	Bend	trans	-113.2	156.8	-178.7	-66.2	-66.1	-1.5	0	0	111.6	S69 R72 L105	Q67-S69 PolarHBondContact O-N 3.33Å; Q67-S69 VanDerWaalsContact O-N 3.13Å; Q67-S69 PolarHBondContact O-OG 3.23Å; Q67-R72 WeakPolarHBondContact O-CB 3.3Å; Q67-R72 PolarHBondContact O-NE 2.88Å; Q67-R72 VanDerWaalsContact O-NE 3.16Å; Q67-L105 HydrophobicContact CB-CD2 3.97Å; Q67-L105 HydrophobicContact CG-CD2 4.25Å
68	D	88.6	Confident	90.9	Very high	121 Å²	121	45.5 Å²	45.5	65%	0.647	23%	0.229	S	C	*	.	S	Bend	trans	-75.2	103	175.2	-154	41.6	0	0	0	110.2	R72	D68-R72 IonicContact OD1-NH1 3.91Å; D68-R72 PolarHBondContact OD1-NH1 3.25Å
69	S	93	Very high	90.4	Very high	10 Å²	10	42.5 Å²	42.5	7%	0.07	22%	0.221	C	C	.	.	S	Bend	trans	-150.4	166.3	-170.7	60.6	0	0	0	0	110.1	Q67 L71 R72 A73 Y129	Q67-S69 PolarHBondContact O-N 3.33Å; Q67-S69 VanDerWaalsContact O-N 3.13Å; Q67-S69 PolarHBondContact O-OG 3.23Å; S69-L71 PolarHBondContact O-N 3.26Å; S69-R72 WeakPolarHBondContact O-CB 3.4Å; S69-R72 PolarHBondContact O-N 3.18Å; S69-R72 VanDerWaalsContact O-N 3.08Å; S69-R72 PolarHBondContact OG-N 2.8Å; S69-A73 PolarHBondContact O-N 3.17Å; S69-Y129 WeakPolarHBondContact CB-O 3.43Å
70	M	93.3	Very high	90	Very high	46 Å²	46	48.8 Å²	48.8	23%	0.227	25%	0.25	C	S	.	.	H	α-helix	trans	-55.1	-38.4	170.9	-176.8	-170.4	174.3	0	0	111.2	R72 A73 M74 M79 Y128 Y129	M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 2.87Å; M70-A73 WeakPolarHBondContact O-CB 3.17Å; M70-A73 PolarHBondContact O-N 3.2Å; M70-A73 VanDerWaalsContact O-N 3.07Å; M70-M74 HydrophobicContact CE-SD 4.37Å; M70-M74 WeakPolarHBondContact O-CG 3.45Å; M70-M74 PolarHBondContact O-N 3.26Å; M70-M79 HydrophobicContact CE-CE 3.73Å; M70-M79 HydrophobicContact CG-CE 3.82Å; M70-Y128 HydrophobicContact CE-CE1 4.29Å; M70-Y128 HydrophobicContact SD-CD1 4.31Å; M70-Y128 HydrophobicContact SD-CE1 3.75Å; M70-Y129 PolarHBondContact N-O 3.19Å
71	L	93.7	Very high	89.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-36.5	178.4	-67.1	166.5	0	0	0	111.8	L64 S69 A73 M74 F75 I91 F98 I101 L105 Y129	L64-L71 HydrophobicContact CB-CB 4.46Å; L64-L71 HydrophobicContact CD2-CB 4.34Å; L64-L71 HydrophobicContact CD2-CD1 4.15Å; L64-L71 CarbonylContact O-C 3.48Å; S69-L71 PolarHBondContact O-N 3.26Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 2.9Å; L71-M74 HydrophobicContact CD2-SD 3.98Å; L71-M74 WeakPolarHBondContact O-CB 3.37Å; L71-M74 PolarHBondContact O-N 2.96Å; L71-F75 WeakPolarHBondContact O-CD2 3.2Å; L71-F75 PolarHBondContact O-N 3.28Å; L71-F75 VanDerWaalsContact O-N 3.09Å; L71-I91 HydrophobicContact CD2-CD1 4.01Å; L71-F98 HydrophobicContact CD1-CE2 4.15Å; L71-F98 HydrophobicContact CD1-CZ 4.17Å; L71-F98 HydrophobicContact CD2-CZ 4.49Å; L71-I101 HydrophobicContact CD1-CG2 4.14Å; L71-L105 HydrophobicContact CD1-CD1 3.65Å; L71-Y129 HydrophobicContact CD1-CD1 4.02Å; L71-Y129 HydrophobicContact CD1-CG 4.28Å; L71-Y129 HydrophobicContact CD2-CD1 4.13Å; L71-Y129 HydrophobicContact CD2-CE1 4.2Å; L71-Y129 HydrophobicContact CG-CD1 3.87Å; L71-Y129 HydrophobicContact CG-CE1 4.42Å
72	R	92.5	Very high	89.7	Confident	69 Å²	69	51.4 Å²	51.4	26%	0.26	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-42.4	171.2	173.5	-175.8	-84.6	171.4	-4.1	111	L64 T65 K66 Q67 D68 S69 M70 M74 F75 S76	L64-R72 WeakPolarHBondContact O-CA 3.37Å; L64-R72 PolarHBondContact O-N 3.03Å; T65-R72 HydrophobicContact CG2-CG 4.4Å; T65-R72 VanDerWaalsContact O-CZ 3.24Å; T65-R72 PolarHBondContact O-NE 3.46Å; T65-R72 PolarHBondContact O-NH2 3.41Å; K66-R72 VanDerWaalsContact C-NH2 3.25Å; K66-R72 PolarHBondContact O-NH2 3.2Å; Q67-R72 WeakPolarHBondContact O-CB 3.3Å; Q67-R72 PolarHBondContact O-NE 2.88Å; Q67-R72 VanDerWaalsContact O-NE 3.16Å; D68-R72 IonicContact OD1-NH1 3.91Å; D68-R72 PolarHBondContact OD1-NH1 3.25Å; S69-R72 WeakPolarHBondContact O-CB 3.4Å; S69-R72 PolarHBondContact O-N 3.18Å; S69-R72 VanDerWaalsContact O-N 3.08Å; S69-R72 PolarHBondContact OG-N 2.8Å; M70-R72 VanDerWaalsContact C-N 3.33Å; M70-R72 PolarHBondContact O-N 2.87Å; R72-M74 PolarHBondContact O-N 2.93Å; R72-F75 PolarHBondContact O-N 3.19Å; R72-S76 WeakPolarHBondContact O-CB 3.25Å; R72-S76 PolarHBondContact O-N 3.34Å; R72-S76 PolarHBondContact O-OG 3.25Å
73	A	89.8	Confident	89.6	Confident	30 Å²	30	51.1 Å²	51.1	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-40.8	178.4	0	0	0	0	0	112.1	S69 M70 L71 F75 S76 R78 M79	S69-A73 PolarHBondContact O-N 3.17Å; M70-A73 WeakPolarHBondContact O-CB 3.17Å; M70-A73 PolarHBondContact O-N 3.2Å; M70-A73 VanDerWaalsContact O-N 3.07Å; L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 2.9Å; A73-F75 PolarHBondContact O-N 2.89Å; A73-S76 PolarHBondContact O-OG 3.07Å; A73-R78 PolarHBondContact O-N 3.42Å; A73-M79 HydrophobicContact CB-CB 4.47Å; A73-M79 HydrophobicContact CB-CE 4.48Å; A73-M79 PolarHBondContact O-N 2.76Å
74	M	89.6	Confident	89.5	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.054	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-45.4	175.4	-69.1	178.8	77.5	0	0	112.9	M70 L71 R72 M79 V81 V89 I91	M70-M74 HydrophobicContact CE-SD 4.37Å; M70-M74 WeakPolarHBondContact O-CG 3.45Å; M70-M74 PolarHBondContact O-N 3.26Å; L71-M74 HydrophobicContact CD2-SD 3.98Å; L71-M74 WeakPolarHBondContact O-CB 3.37Å; L71-M74 PolarHBondContact O-N 2.96Å; R72-M74 PolarHBondContact O-N 2.93Å; M74-M79 HydrophobicContact CB-CE 4.24Å; M74-M79 HydrophobicContact CG-CE 3.07Å; M74-M79 HydrophobicContact SD-CE 4.08Å; M74-V81 HydrophobicContact CB-CG1 3.71Å; M74-V81 HydrophobicContact CE-CB 4.24Å; M74-V81 HydrophobicContact CE-CG1 3.55Å; M74-V81 HydrophobicContact CG-CG1 3.89Å; M74-V89 HydrophobicContact CE-CG1 3.86Å; M74-I91 HydrophobicContact CE-CD1 4.19Å; M74-I91 HydrophobicContact CE-CG1 4.11Å; M74-I91 HydrophobicContact SD-CD1 4.44Å
75	F	90.1	Very high	89.3	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-102.4	9.3	-171	-69.8	-84.7	0	0	0	114.3	I40 V48 L50 V61 L64 T65 L71 R72 A73 V89	I40-F75 HydrophobicContact CB-CD1 4.36Å; I40-F75 HydrophobicContact CD1-CD1 4.5Å; I40-F75 HydrophobicContact CD1-CE1 4Å; I40-F75 HydrophobicContact CG2-CD1 3.95Å; I40-F75 HydrophobicContact CG2-CE1 4.36Å; I40-F75 CarbonylContact O-C 3.58Å; V48-F75 HydrophobicContact CB-CE1 3.9Å; V48-F75 HydrophobicContact CG1-CD1 4.13Å; V48-F75 HydrophobicContact CG1-CE1 3.91Å; V48-F75 HydrophobicContact CG2-CD1 4.27Å; V48-F75 HydrophobicContact CG2-CE1 3.81Å; V48-F75 HydrophobicContact CG2-CZ 4.3Å; L50-F75 HydrophobicContact CD2-CE2 3.81Å; L50-F75 HydrophobicContact CD2-CZ 3.45Å; L50-F75 VanDerWaalsContact CD2-CZ 3.45Å; V61-F75 HydrophobicContact CG1-CB 4.35Å; L64-F75 HydrophobicContact CB-CB 4.39Å; L64-F75 HydrophobicContact CB-CD2 4.05Å; L64-F75 HydrophobicContact CB-CG 4.31Å; L64-F75 HydrophobicContact CD1-CD1 4.1Å; L64-F75 HydrophobicContact CD1-CD2 3.42Å; L64-F75 VanDerWaalsContact CD1-CD2 3.42Å; L64-F75 HydrophobicContact CD1-CE1 4.08Å; L64-F75 HydrophobicContact CD1-CE2 3.43Å; L64-F75 VanDerWaalsContact CD1-CE2 3.43Å; L64-F75 HydrophobicContact CD1-CG 3.79Å; L64-F75 HydrophobicContact CD1-CZ 3.77Å; L64-F75 HydrophobicContact CG-CD2 4.33Å; T65-F75 HydrophobicContact CG2-CB 4.02Å; L71-F75 WeakPolarHBondContact O-CD2 3.2Å; L71-F75 PolarHBondContact O-N 3.28Å; L71-F75 VanDerWaalsContact O-N 3.09Å; R72-F75 PolarHBondContact O-N 3.19Å; A73-F75 PolarHBondContact O-N 2.89Å; F75-V89 HydrophobicContact CE1-CG2 4.09Å; F75-V89 HydrophobicContact CZ-CB 4.2Å; F75-V89 HydrophobicContact CZ-CG1 4.1Å; F75-V89 HydrophobicContact CZ-CG2 3.9Å
76	S	86.5	Confident	89.3	Confident	42 Å²	42	59.8 Å²	59.8	29%	0.294	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-103.5	6.4	169	57.5	0	0	0	0	112.8	R72 A73 R78	R72-S76 WeakPolarHBondContact O-CB 3.25Å; R72-S76 PolarHBondContact O-N 3.34Å; R72-S76 PolarHBondContact O-OG 3.25Å; A73-S76 PolarHBondContact O-OG 3.07Å; S76-R78 PolarHBondContact O-N 3.07Å; S76-R78 WeakPolarHBondContact OG-CD 3.3Å; S76-R78 WeakPolarHBondContact OG-CG 3.31Å
77	G	82.3	Confident	89.3	Confident	26 Å²	26	56.8 Å²	56.8	27%	0.268	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	8.9	-176.3	0	0	0	0	0	114.5	I40 M79	I40-G77 PolarHBondContact O-N 2.81Å; G77-M79 VanDerWaalsContact C-N 3.35Å
78	R	83.6	Confident	89.6	Confident	198 Å²	198	55 Å²	55	75%	0.747	30%	0.295	S	S	*	.	S	Bend	trans	-83.2	-14.1	-179.9	-63.7	178.6	-175	177	1.5	113.3	A73 S76	A73-R78 PolarHBondContact O-N 3.42Å; S76-R78 PolarHBondContact O-N 3.07Å; S76-R78 WeakPolarHBondContact OG-CD 3.3Å; S76-R78 WeakPolarHBondContact OG-CG 3.31Å
79	M	85.3	Confident	89.8	Confident	63 Å²	63	49.3 Å²	49.3	31%	0.31	26%	0.264	S	S	.	.	S	Bend	trans	-136.1	138.1	-178.8	-171.8	157.9	68.6	0	0	109.3	M70 A73 M74 G77	M70-M79 HydrophobicContact CE-CE 3.73Å; M70-M79 HydrophobicContact CG-CE 3.82Å; A73-M79 HydrophobicContact CB-CB 4.47Å; A73-M79 HydrophobicContact CB-CE 4.48Å; A73-M79 PolarHBondContact O-N 2.76Å; M74-M79 HydrophobicContact CB-CE 4.24Å; M74-M79 HydrophobicContact CG-CE 3.07Å; M74-M79 HydrophobicContact SD-CE 4.08Å; G77-M79 VanDerWaalsContact C-N 3.35Å
80	E	85.9	Confident	89.8	Confident	135 Å²	135	51.5 Å²	51.5	63%	0.631	28%	0.275	S	S	*	.			trans	-71.6	136	172.6	-64.9	-177.4	168.5	0	0	109.4	P37 T39	P37-E80 HydrophobicContact CB-CB 4.18Å; T39-E80 HydrophobicContact CG2-CG 4.25Å
81	V	88.8	Confident	89.9	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.7	177.6	-58.2	0	0	0	0	110.3	L38 I40 M74 T83 V89	L38-V81 PolarHBondContact N-O 2.95Å; L38-V81 VanDerWaalsContact N-O 3.11Å; L38-V81 WeakPolarHBondContact O-CG2 3.4Å; L38-V81 PolarHBondContact O-N 2.89Å; I40-V81 HydrophobicContact CD1-CG2 3.55Å; I40-V81 HydrophobicContact CG1-CG2 3.76Å; M74-V81 HydrophobicContact CB-CG1 3.71Å; M74-V81 HydrophobicContact CE-CB 4.24Å; M74-V81 HydrophobicContact CE-CG1 3.55Å; M74-V81 HydrophobicContact CG-CG1 3.89Å; V81-T83 HydrophobicContact CG2-CG2 4.31Å; V81-V89 HydrophobicContact CB-CG1 3.93Å; V81-V89 HydrophobicContact CG1-CG1 4.41Å; V81-V89 HydrophobicContact CG2-CG1 4.16Å; V81-V89 HydrophobicContact CG2-CG2 4.33Å
82	L	91.1	Very high	89.9	Confident	77 Å²	77	57.1 Å²	57.1	40%	0.403	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.8	174.9	-163.5	69	0	0	0	109.1	V89 L90	L82-V89 WeakPolarHBondContact O-CA 3.29Å; L82-L90 HydrophobicContact CB-CB 4.49Å; L82-L90 HydrophobicContact CD2-CB 4.46Å; L82-L90 HydrophobicContact CD2-CD1 4.06Å; L82-L90 HydrophobicContact CG-CD1 4.38Å; L82-L90 PolarHBondContact O-N 3Å
83	T	90.9	Very high	89.9	Confident	18 Å²	18	57.7 Å²	57.7	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.9	174.6	55.8	0	0	0	0	111.4	I40 V81 W88 V89	I40-T83 HydrophobicContact CD1-CG2 4.47Å; V81-T83 HydrophobicContact CG2-CG2 4.31Å; T83-W88 VanDerWaalsContact CA-O 3.25Å; T83-W88 WeakPolarHBondContact CA-O 3.21Å; T83-V89 HydrophobicContact CG2-CG2 4.03Å
84	D	91.4	Very high	89.9	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.171	32%	0.317	C	S	.	.			trans	-77.9	172.8	168	81.2	-2.3	0	0	0	111.7	D86 G87 W88 L90	D84-D86 PolarHBondContact O-N 3.37Å; D84-D86 WeakPolarHBondContact OD1-CA 3.49Å; D84-D86 PolarHBondContact OD1-N 2.85Å; D84-G87 PolarHBondContact O-N 3.28Å; D84-G87 PolarHBondContact OD1-N 3.43Å; D84-W88 PolarHBondContact N-O 3.31Å; D84-W88 WeakPolarHBondContact OD1-CB 3.45Å; D84-W88 PolarHBondContact OD1-N 3Å; D84-W88 WeakPolarHBondContact OD2-CB 3.42Å; D84-W88 VanDerWaalsContact OD2-CD1 3.26Å; D84-L90 HydrophobicContact CB-CD1 4.34Å; D84-L90 HydrophobicContact CB-CD2 4.24Å; D84-L90 HydrophobicContact CB-CG 4.48Å
85	P	90.8	Very high	89.9	Confident	88 Å²	88	58.9 Å²	58.9	57%	0.571	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.2	177.9	-24.3	34.5	0	0	0	115.1	N33 G87	N33-P85 VanDerWaalsContact ND2-CD 3.31Å; N33-P85 WeakPolarHBondContact ND2-CD 3.41Å; N33-P85 WeakPolarHBondContact ND2-CG 3.44Å; N33-P85 WeakPolarHBondContact OD1-CG 3.16Å; P85-G87 VanDerWaalsContact C-N 3.28Å
86	D	91.5	Very high	89.8	Confident	116 Å²	116	61.3 Å²	61.3	62%	0.62	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.2	-179.5	-71.2	-37.7	0	0	0	112.8	K49 D84	K49-D86 PolarHBondContact NZ-O 2.93Å; D84-D86 PolarHBondContact O-N 3.37Å; D84-D86 WeakPolarHBondContact OD1-CA 3.49Å; D84-D86 PolarHBondContact OD1-N 2.85Å
87	G	88.7	Confident	89.8	Confident	41 Å²	41	60.2 Å²	60.2	42%	0.423	32%	0.315	S	S	.	.			trans	83.4	17.6	178.4	0	0	0	0	0	114.3	D84 P85	D84-G87 PolarHBondContact O-N 3.28Å; D84-G87 PolarHBondContact OD1-N 3.43Å; P85-G87 VanDerWaalsContact C-N 3.28Å
88	W	93.9	Very high	90.4	Very high	25 Å²	25	59 Å²	59	10%	0.095	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.6	171.3	-65	91.3	0	0	0	110.5	K49 L50 N51 L56 Y58 T83 D84 L90	K49-W88 HydrophobicContact CB-CD2 3.71Å; K49-W88 HydrophobicContact CB-CE3 3.47Å; K49-W88 VanDerWaalsContact CB-CE3 3.47Å; K49-W88 HydrophobicContact CB-CG 4.25Å; K49-W88 HydrophobicContact CB-CH2 4.31Å; K49-W88 HydrophobicContact CB-CZ3 3.78Å; K49-W88 HydrophobicContact CD-CD2 4.12Å; K49-W88 HydrophobicContact CD-CZ2 4.1Å; L50-W88 VanDerWaalsContact C-CE3 3.46Å; L50-W88 VanDerWaalsContact O-CZ3 3.29Å; L50-W88 WeakPolarHBondContact O-CZ3 3.42Å; N51-W88 HydrophobicContact CB-CB 4.14Å; N51-W88 HydrophobicContact CB-CE3 4.17Å; L56-W88 HydrophobicContact CB-CH2 3.67Å; L56-W88 HydrophobicContact CB-CZ3 3.76Å; L56-W88 HydrophobicContact CD1-CH2 3.98Å; L56-W88 HydrophobicContact CD1-CZ2 4.07Å; L56-W88 HydrophobicContact CD2-CD2 4.27Å; L56-W88 HydrophobicContact CD2-CE3 3.93Å; L56-W88 HydrophobicContact CD2-CH2 3.97Å; L56-W88 HydrophobicContact CD2-CZ2 4.27Å; L56-W88 HydrophobicContact CD2-CZ3 3.8Å; L56-W88 HydrophobicContact CG-CH2 4.08Å; L56-W88 HydrophobicContact CG-CZ3 4.24Å; Y58-W88 HydrophobicContact CD2-CH2 4.32Å; Y58-W88 HydrophobicContact CE1-CH2 4.2Å; Y58-W88 AromaticContact CE2-CH2 3.46Å; Y58-W88 HydrophobicContact CE2-CH2 3.46Å; Y58-W88 VanDerWaalsContact CE2-CH2 3.46Å; Y58-W88 HydrophobicContact CE2-CZ2 4.27Å; Y58-W88 HydrophobicContact CE2-CZ3 4.26Å; Y58-W88 AromaticContact CZ-CH2 3.38Å; Y58-W88 AromaticContact CZ-CZ2 3.82Å; Y58-W88 VanDerWaalsContact OH-CH2 3.27Å; Y58-W88 WeakPolarHBondContact OH-CH2 3.46Å; Y58-W88 WeakPolarHBondContact OH-CZ2 3.27Å; T83-W88 VanDerWaalsContact CA-O 3.25Å; T83-W88 WeakPolarHBondContact CA-O 3.21Å; D84-W88 PolarHBondContact N-O 3.31Å; D84-W88 WeakPolarHBondContact OD1-CB 3.45Å; D84-W88 PolarHBondContact OD1-N 3Å; D84-W88 WeakPolarHBondContact OD2-CB 3.42Å; D84-W88 VanDerWaalsContact OD2-CD1 3.26Å; W88-L90 HydrophobicContact CB-CD2 4.27Å; W88-L90 PolarHBondContact O-N 3.42Å
89	V	93.2	Very high	90.8	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.3	168.8	180	0	0	0	0	108.4	I40 K49 L50 N51 M74 F75 V81 L82 T83	I40-V89 HydrophobicContact CD1-CG2 3.46Å; I40-V89 VanDerWaalsContact CD1-CG2 3.46Å; K49-V89 PolarHBondContact O-N 2.78Å; L50-V89 HydrophobicContact CD2-CB 4.1Å; L50-V89 HydrophobicContact CD2-CG1 4.4Å; N51-V89 PolarHBondContact N-O 2.89Å; M74-V89 HydrophobicContact CE-CG1 3.86Å; F75-V89 HydrophobicContact CE1-CG2 4.09Å; F75-V89 HydrophobicContact CZ-CB 4.2Å; F75-V89 HydrophobicContact CZ-CG1 4.1Å; F75-V89 HydrophobicContact CZ-CG2 3.9Å; V81-V89 HydrophobicContact CB-CG1 3.93Å; V81-V89 HydrophobicContact CG1-CG1 4.41Å; V81-V89 HydrophobicContact CG2-CG1 4.16Å; V81-V89 HydrophobicContact CG2-CG2 4.33Å; L82-V89 WeakPolarHBondContact O-CA 3.29Å; T83-V89 HydrophobicContact CG2-CG2 4.03Å
90	L	93.9	Very high	91.2	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128	-175.6	-53.9	-176.2	0	0	0	110.4	N51 L82 D84 W88	N51-L90 HydrophobicContact CB-CD2 3.81Å; L82-L90 HydrophobicContact CB-CB 4.49Å; L82-L90 HydrophobicContact CD2-CB 4.46Å; L82-L90 HydrophobicContact CD2-CD1 4.06Å; L82-L90 HydrophobicContact CG-CD1 4.38Å; L82-L90 PolarHBondContact O-N 3Å; D84-L90 HydrophobicContact CB-CD1 4.34Å; D84-L90 HydrophobicContact CB-CD2 4.24Å; D84-L90 HydrophobicContact CB-CG 4.48Å; W88-L90 HydrophobicContact CB-CD2 4.27Å; W88-L90 PolarHBondContact O-N 3.42Å
91	I	93.8	Very high	91.7	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.5	175	-56.6	-176.6	0	0	0	108.7	L50 N51 V52 G53 L71 M74 R93 Y128 Y129	L50-I91 HydrophobicContact CD2-CD1 4.26Å; N51-I91 PolarHBondContact O-N 3.27Å; V52-I91 HydrophobicContact CB-CB 4.48Å; V52-I91 HydrophobicContact CG1-CB 4.26Å; V52-I91 HydrophobicContact CG1-CG2 4.22Å; V52-I91 HydrophobicContact CG2-CB 4.23Å; V52-I91 HydrophobicContact CG2-CD1 4.16Å; G53-I91 PolarHBondContact N-O 3.3Å; L71-I91 HydrophobicContact CD2-CD1 4.01Å; M74-I91 HydrophobicContact CE-CD1 4.19Å; M74-I91 HydrophobicContact CE-CG1 4.11Å; M74-I91 HydrophobicContact SD-CD1 4.44Å; I91-R93 HydrophobicContact CG2-CB 4.04Å; I91-R93 HydrophobicContact CG2-CG 3.88Å; I91-R93 PolarHBondContact O-N 2.86Å; I91-Y128 HydrophobicContact CG2-CE1 4.5Å; I91-Y129 HydrophobicContact CD1-CE1 4.46Å; I91-Y129 HydrophobicContact CG2-CE1 4.19Å
92	D	94.4	Very high	92	Very high	153 Å²	153	43.2 Å²	43.2	82%	0.818	24%	0.239	S	C	*	.			trans	-81	63.2	-179.7	-171.6	27	0	0	0	111.9
93	R	93.4	Very high	92.2	Very high	81 Å²	81	45.2 Å²	45.2	31%	0.306	24%	0.242	S	C	.	.	S	Bend	trans	-140.3	162.7	178.8	-67.8	-56.9	-59.4	172.5	1.6	111.1	V52 G53 I91 G95 E125 Y128	V52-R93 CarbonylContact C-O 3.56Å; V52-R93 HydrophobicContact CG1-CB 4.08Å; G53-R93 WeakPolarHBondContact CA-O 3.34Å; G53-R93 PolarHBondContact N-O 2.77Å; G53-R93 VanDerWaalsContact N-O 3.08Å; I91-R93 HydrophobicContact CG2-CB 4.04Å; I91-R93 HydrophobicContact CG2-CG 3.88Å; I91-R93 PolarHBondContact O-N 2.86Å; R93-G95 PolarHBondContact O-N 2.95Å; R93-E125 IonicContact CZ-OE1 3.75Å; R93-E125 IonicContact CZ-OE2 3.26Å; R93-E125 IonicContact NE-OE1 3.03Å; R93-E125 IonicContact NE-OE2 2.76Å; R93-E125 PolarHBondContact NE-OE2 3.26Å; R93-E125 IonicContact NH2-OE1 3.57Å; R93-E125 PolarHBondContact NH2-OE1 2.97Å; R93-E125 IonicContact NH2-OE2 3.58Å; R93-Y128 HydrophobicContact CG-CD1 3.55Å; R93-Y128 HydrophobicContact CG-CD2 4.44Å; R93-Y128 HydrophobicContact CG-CE1 3.29Å; R93-Y128 HydrophobicContact CG-CE2 4.22Å; R93-Y128 HydrophobicContact CG-CG 4.13Å
94	C	89.6	Confident	92.4	Very high	66 Å²	66	44.9 Å²	44.9	45%	0.446	24%	0.238	S	C	.	.			trans	-68.1	115.7	173.7	-173.3	0	0	0	0	110.2	K96	C94-K96 VanDerWaalsContact C-N 3.28Å; C94-K96 PolarHBondContact O-N 3.2Å; C94-K96 VanDerWaalsContact SG-CB 3.58Å
95	G	88.7	Confident	92.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-75.2	-13.3	177.9	0	0	0	0	0	114.9	V52 Y55 Y57 R93 H97 F98	V52-G95 WeakPolarHBondContact O-CA 3.04Å; V52-G95 PolarHBondContact O-N 2.95Å; Y55-G95 VanDerWaalsContact CD2-CA 3.44Å; Y57-G95 PolarHBondContact OH-O 3.04Å; R93-G95 PolarHBondContact O-N 2.95Å; G95-H97 PolarHBondContact O-N 3.42Å; G95-F98 WeakPolarHBondContact O-CB 3.32Å; G95-F98 PolarHBondContact O-N 2.91Å
96	K	88	Confident	92.7	Very high	54 Å²	54	44.3 Å²	44.3	24%	0.235	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-51.1	-34.2	-172.2	-173.6	174.3	178.9	173.6	0	114.4	Y55 C94 H298 E300	Y55-K96 HydrophobicContact CE2-CB 4.4Å; C94-K96 VanDerWaalsContact C-N 3.28Å; C94-K96 PolarHBondContact O-N 3.2Å; C94-K96 VanDerWaalsContact SG-CB 3.58Å; K96-H298 PolarHBondContact NZ-O 3.26Å; K96-E300 IonicContact NZ-OE2 2.89Å; K96-E300 PolarHBondContact NZ-OE2 3.36Å
97	H	86.7	Confident	92.8	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.083	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-114.3	11.6	-179.1	-58.9	-50.5	0	0	0	113.7	G95 D99 V100 F118 I122	G95-H97 PolarHBondContact O-N 3.42Å; H97-D99 VanDerWaalsContact C-OD1 3.31Å; H97-D99 WeakPolarHBondContact CA-OD1 3.48Å; H97-D99 PolarHBondContact O-N 3.28Å; H97-V100 WeakPolarHBondContact O-CB 3.45Å; H97-V100 PolarHBondContact O-N 3.05Å; H97-F118 AromaticContact CE1-CD1 3.94Å; H97-F118 AromaticContact CE1-CE1 3.41Å; H97-F118 VanDerWaalsContact CE1-CE1 3.41Å; H97-F118 WeakPolarHBondContact CE1-CE1 3.39Å; H97-F118 AromaticContact CE1-CE2 3.97Å; H97-F118 AromaticContact CE1-CZ 3.38Å; H97-F118 WeakPolarHBondContact CE1-CZ 3.47Å; H97-I122 HydrophobicContact CB-CG1 4.2Å
98	F	94.5	Very high	92.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-70.2	-20.3	-178.5	-171.4	-100.2	0	0	0	112.6	L50 V52 Y57 L71 G95 V100 I101 L102 Y129	L50-F98 HydrophobicContact CD1-CE1 3.78Å; L50-F98 HydrophobicContact CD1-CZ 3.99Å; V52-F98 HydrophobicContact CB-CG 4.39Å; V52-F98 HydrophobicContact CG1-CB 4.36Å; V52-F98 HydrophobicContact CG1-CD2 4.18Å; V52-F98 HydrophobicContact CG1-CG 4.26Å; V52-F98 HydrophobicContact CG2-CD1 3.87Å; V52-F98 HydrophobicContact CG2-CD2 4.15Å; V52-F98 HydrophobicContact CG2-CE1 3.97Å; V52-F98 HydrophobicContact CG2-CE2 4.28Å; V52-F98 HydrophobicContact CG2-CG 3.94Å; V52-F98 HydrophobicContact CG2-CZ 4.18Å; Y57-F98 HydrophobicContact CD1-CD1 4.17Å; Y57-F98 HydrophobicContact CD2-CB 4.39Å; Y57-F98 AromaticContact CD2-CD1 3.45Å; Y57-F98 HydrophobicContact CD2-CD1 3.45Å; Y57-F98 VanDerWaalsContact CD2-CD1 3.45Å; Y57-F98 HydrophobicContact CD2-CE1 4.15Å; Y57-F98 HydrophobicContact CD2-CG 4.28Å; Y57-F98 HydrophobicContact CE1-CD1 4.35Å; Y57-F98 HydrophobicContact CE2-CB 3.69Å; Y57-F98 AromaticContact CE2-CD1 3.64Å; Y57-F98 HydrophobicContact CE2-CD1 3.64Å; Y57-F98 HydrophobicContact CE2-CG 4.07Å; Y57-F98 AromaticContact CG-CD1 3.73Å; Y57-F98 HydrophobicContact CG-CD1 3.73Å; Y57-F98 HydrophobicContact CG-CE1 4.21Å; L71-F98 HydrophobicContact CD1-CE2 4.15Å; L71-F98 HydrophobicContact CD1-CZ 4.17Å; L71-F98 HydrophobicContact CD2-CZ 4.49Å; G95-F98 WeakPolarHBondContact O-CB 3.32Å; G95-F98 PolarHBondContact O-N 2.91Å; F98-V100 VanDerWaalsContact C-N 3.29Å; F98-V100 PolarHBondContact O-N 3.47Å; F98-I101 HydrophobicContact CD2-CB 4.07Å; F98-I101 HydrophobicContact CD2-CG1 4.24Å; F98-I101 HydrophobicContact CD2-CG2 4.18Å; F98-I101 HydrophobicContact CE2-CB 4.31Å; F98-I101 HydrophobicContact CE2-CG2 3.93Å; F98-I101 WeakPolarHBondContact O-CB 3.47Å; F98-I101 PolarHBondContact O-N 2.98Å; F98-L102 HydrophobicContact CD1-CD1 3.84Å; F98-L102 HydrophobicContact CD1-CG 3.83Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CE1-CD2 3.75Å; F98-L102 HydrophobicContact CE1-CG 3.49Å; F98-L102 VanDerWaalsContact CE1-CG 3.49Å; F98-L102 HydrophobicContact CZ-CD2 4.15Å; F98-L102 HydrophobicContact CZ-CG 4.21Å; F98-L102 PolarHBondContact O-N 2.9Å; F98-Y129 AromaticContact CD2-CE2 3.68Å; F98-Y129 HydrophobicContact CD2-CE2 3.68Å; F98-Y129 AromaticContact CD2-CZ 3.61Å; F98-Y129 VanDerWaalsContact CD2-OH 3.32Å; F98-Y129 WeakPolarHBondContact CD2-OH 3.22Å; F98-Y129 HydrophobicContact CE2-CD2 4.48Å; F98-Y129 AromaticContact CE2-CE1 3.95Å; F98-Y129 HydrophobicContact CE2-CE1 3.95Å; F98-Y129 AromaticContact CE2-CE2 3.79Å; F98-Y129 HydrophobicContact CE2-CE2 3.79Å; F98-Y129 AromaticContact CE2-CZ 3.48Å; F98-Y129 VanDerWaalsContact CE2-CZ 3.48Å; F98-Y129 WeakPolarHBondContact CE2-OH 3.5Å
99	D	93.3	Very high	92.5	Very high	49 Å²	49	48 Å²	48	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-37.9	170.8	68.4	-45.9	0	0	0	112.3	Y57 H97 L102 R103	Y57-D99 HydrophobicContact CE1-CB 4.05Å; H97-D99 VanDerWaalsContact C-OD1 3.31Å; H97-D99 WeakPolarHBondContact CA-OD1 3.48Å; H97-D99 PolarHBondContact O-N 3.28Å; D99-L102 PolarHBondContact O-N 3.11Å; D99-R103 WeakPolarHBondContact O-CG 3.37Å; D99-R103 PolarHBondContact O-N 3.07Å; D99-R103 IonicContact OD2-CZ 3.58Å; D99-R103 IonicContact OD2-NH1 3.64Å; D99-R103 PolarHBondContact OD2-NH1 3.36Å; D99-R103 IonicContact OD2-NH2 2.91Å
100	V	93.3	Very high	92.4	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.097	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-43.5	174.4	-176.5	0	0	0	0	110.6	H97 F98 L102 R103 F104 V110 I122	H97-V100 WeakPolarHBondContact O-CB 3.45Å; H97-V100 PolarHBondContact O-N 3.05Å; F98-V100 VanDerWaalsContact C-N 3.29Å; F98-V100 PolarHBondContact O-N 3.47Å; V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.47Å; V100-R103 PolarHBondContact O-N 3.15Å; V100-F104 WeakPolarHBondContact O-CB 3.35Å; V100-F104 PolarHBondContact O-N 3.45Å; V100-V110 HydrophobicContact CG1-CG1 4.04Å; V100-V110 HydrophobicContact CG1-CG2 3.82Å; V100-I122 HydrophobicContact CB-CG1 4.44Å; V100-I122 HydrophobicContact CG1-CD1 4.08Å; V100-I122 HydrophobicContact CG1-CG1 4.27Å; V100-I122 HydrophobicContact CG1-CG2 3.86Å; V100-I122 HydrophobicContact CG2-CD1 4.1Å; V100-I122 HydrophobicContact CG2-CG1 4.3Å
101	I	95.4	Very high	92	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-46.7	175.6	-54.7	-58.7	0	0	0	110.3	L71 F98 F104 L105 E125 A126 Y129 M131 L134	L71-I101 HydrophobicContact CD1-CG2 4.14Å; F98-I101 HydrophobicContact CD2-CB 4.07Å; F98-I101 HydrophobicContact CD2-CG1 4.24Å; F98-I101 HydrophobicContact CD2-CG2 4.18Å; F98-I101 HydrophobicContact CE2-CB 4.31Å; F98-I101 HydrophobicContact CE2-CG2 3.93Å; F98-I101 WeakPolarHBondContact O-CB 3.47Å; F98-I101 PolarHBondContact O-N 2.98Å; I101-F104 PolarHBondContact O-N 2.9Å; I101-L105 HydrophobicContact CG2-CD1 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 2.93Å; I101-E125 HydrophobicContact CD1-CB 3.99Å; I101-E125 HydrophobicContact CG1-CB 4.32Å; I101-A126 HydrophobicContact CD1-CB 4.48Å; I101-Y129 HydrophobicContact CD1-CD2 4.25Å; I101-Y129 HydrophobicContact CG1-CD2 4.11Å; I101-Y129 HydrophobicContact CG1-CE2 4.17Å; I101-Y129 HydrophobicContact CG2-CD2 3.98Å; I101-Y129 HydrophobicContact CG2-CE2 4.4Å; I101-Y129 HydrophobicContact CG2-CG 4.49Å; I101-M131 HydrophobicContact CB-CE 4.04Å; I101-M131 HydrophobicContact CD1-CE 3.34Å; I101-M131 HydrophobicContact CG1-CE 4.13Å; I101-M131 HydrophobicContact CG2-CE 3.34Å; I101-M131 HydrophobicContact CG2-SD 4.04Å; I101-L134 HydrophobicContact CD1-CD2 3.9Å
102	L	95.5	Very high	91.6	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-41.5	177.2	-74.6	178.7	0	0	0	113.2	Y57 T59 L64 F98 D99 V100 F104 L105 R106	Y57-L102 HydrophobicContact CD1-CD1 3.57Å; Y57-L102 HydrophobicContact CE1-CD1 4.39Å; Y57-L102 HydrophobicContact CG-CD1 3.88Å; T59-L102 HydrophobicContact CG2-CD2 4Å; L64-L102 HydrophobicContact CD2-CD2 3.95Å; F98-L102 HydrophobicContact CD1-CD1 3.84Å; F98-L102 HydrophobicContact CD1-CG 3.83Å; F98-L102 HydrophobicContact CE1-CD1 3.68Å; F98-L102 HydrophobicContact CE1-CD2 3.75Å; F98-L102 HydrophobicContact CE1-CG 3.49Å; F98-L102 VanDerWaalsContact CE1-CG 3.49Å; F98-L102 HydrophobicContact CZ-CD2 4.15Å; F98-L102 HydrophobicContact CZ-CG 4.21Å; F98-L102 PolarHBondContact O-N 2.9Å; D99-L102 PolarHBondContact O-N 3.11Å; V100-L102 VanDerWaalsContact C-N 3.34Å; V100-L102 PolarHBondContact O-N 3.47Å; L102-F104 VanDerWaalsContact C-N 3.34Å; L102-L105 PolarHBondContact O-N 2.84Å; L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.39Å; L102-R106 PolarHBondContact O-N 2.92Å
103	R	94.3	Very high	91	Very high	120 Å²	120	45.9 Å²	45.9	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-45.2	175.4	-74.9	-172.6	-169.7	99.1	-0.5	110.9	D99 V100 L105 R106 D107 V110	D99-R103 WeakPolarHBondContact O-CG 3.37Å; D99-R103 PolarHBondContact O-N 3.07Å; D99-R103 IonicContact OD2-CZ 3.58Å; D99-R103 IonicContact OD2-NH1 3.64Å; D99-R103 PolarHBondContact OD2-NH1 3.36Å; D99-R103 IonicContact OD2-NH2 2.91Å; V100-R103 PolarHBondContact O-N 3.15Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.4Å; R103-R106 PolarHBondContact O-N 3.22Å; R103-R106 VanDerWaalsContact O-N 3.07Å; R103-D107 PolarHBondContact O-N 2.93Å; R103-V110 HydrophobicContact CB-CG2 4.33Å
104	F	95.4	Very high	90.2	Very high	10 Å²	10	47.3 Å²	47.3	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-43	175.4	-176.4	-99.7	0	0	0	112.2	V100 I101 L102 R106 G108 V110 M131 D133 L134	V100-F104 WeakPolarHBondContact O-CB 3.35Å; V100-F104 PolarHBondContact O-N 3.45Å; I101-F104 PolarHBondContact O-N 2.9Å; L102-F104 VanDerWaalsContact C-N 3.34Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 2.94Å; F104-G108 WeakPolarHBondContact CE2-O 3.14Å; F104-G108 WeakPolarHBondContact O-CA 3.47Å; F104-G108 PolarHBondContact O-N 3.38Å; F104-V110 HydrophobicContact CB-CB 4.41Å; F104-V110 HydrophobicContact CB-CG1 4.35Å; F104-V110 HydrophobicContact CD2-CG1 4.15Å; F104-M131 HydrophobicContact CD1-SD 4.04Å; F104-D133 HydrophobicContact CZ-CB 3.92Å; F104-L134 HydrophobicContact CB-CD2 4.11Å; F104-L134 HydrophobicContact CD1-CB 4.05Å; F104-L134 HydrophobicContact CD1-CD2 4.2Å; F104-L134 HydrophobicContact CD2-CB 4.28Å; F104-L134 HydrophobicContact CD2-CD1 3.95Å; F104-L134 HydrophobicContact CD2-CG 4.48Å; F104-L134 HydrophobicContact CE1-CB 3.91Å; F104-L134 HydrophobicContact CE2-CB 4.15Å; F104-L134 HydrophobicContact CE2-CD1 4.31Å; F104-L134 HydrophobicContact CG-CB 4.24Å; F104-L134 HydrophobicContact CG-CD1 4.26Å; F104-L134 HydrophobicContact CG-CD2 4.01Å; F104-L134 HydrophobicContact CG-CG 4.41Å; F104-L134 HydrophobicContact CZ-CB 3.97Å
105	L	94.7	Very high	89.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-30.8	175.6	-71.1	171.7	0	0	0	113.4	T63 L64 K66 Q67 L71 I101 L102 R103 M131	T63-L105 HydrophobicContact CG2-CB 3.91Å; L64-L105 HydrophobicContact CD2-CD1 4.09Å; K66-L105 WeakPolarHBondContact CD-O 3.44Å; Q67-L105 HydrophobicContact CB-CD2 3.97Å; Q67-L105 HydrophobicContact CG-CD2 4.25Å; L71-L105 HydrophobicContact CD1-CD1 3.65Å; I101-L105 HydrophobicContact CG2-CD1 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.47Å; I101-L105 PolarHBondContact O-N 2.93Å; L102-L105 PolarHBondContact O-N 2.84Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.4Å; L105-M131 HydrophobicContact CD2-SD 4.04Å; L105-M131 HydrophobicContact CG-SD 4.2Å
106	R	94.1	Very high	89.2	Confident	108 Å²	108	46.8 Å²	46.8	41%	0.408	26%	0.256	S	S	.	.	H	α-helix	trans	-74.9	-49.1	177.4	-73	172.9	-176.8	157.3	3.2	111.6	Y58 T59 T63 K66 L102 R103 F104	Y58-R106 PolarHBondContact O-NH2 3.31Å; T59-R106 PolarHBondContact OG1-NH2 3.47Å; T63-R106 HydrophobicContact CG2-CG 3.52Å; K66-R106 PolarHBondContact NZ-O 2.94Å; L102-R106 VanDerWaalsContact O-CG 3.3Å; L102-R106 WeakPolarHBondContact O-CG 3.39Å; L102-R106 PolarHBondContact O-N 2.92Å; R103-R106 PolarHBondContact O-N 3.22Å; R103-R106 VanDerWaalsContact O-N 3.07Å; F104-R106 VanDerWaalsContact C-N 3.31Å; F104-R106 PolarHBondContact O-N 2.94Å
107	D	93.1	Very high	88.9	Confident	98 Å²	98	46.4 Å²	46.4	52%	0.524	26%	0.258	S	S	.	.	H	α-helix	trans	-104.9	-12.2	-165.5	-56.4	-37.3	0	0	0	113.3	R103 H109	R103-D107 PolarHBondContact O-N 2.93Å; D107-H109 PolarHBondContact O-N 3.42Å; D107-H109 PolarHBondContact O-ND1 2.85Å
108	G	88.5	Confident	88.8	Confident	33 Å²	33	46.3 Å²	46.3	34%	0.34	26%	0.257	S	S	.	.	S	Bend	trans	73.8	-0.1	-175.6	0	0	0	0	0	114.3	F104	F104-G108 WeakPolarHBondContact CE2-O 3.14Å; F104-G108 WeakPolarHBondContact O-CA 3.47Å; F104-G108 PolarHBondContact O-N 3.38Å
109	H	88.8	Confident	88.5	Confident	129 Å²	129	46.3 Å²	46.3	60%	0.597	26%	0.257	S	S	*	.			trans	-150.6	161.4	177.3	66	-70.9	0	0	0	109.1	D107	D107-H109 PolarHBondContact O-N 3.42Å; D107-H109 PolarHBondContact O-ND1 2.85Å
110	V	90.3	Very high	88.4	Confident	20 Å²	20	48.5 Å²	48.5	12%	0.121	27%	0.266	C	S	.	.			trans	-151.3	140.5	175.2	68.1	0	0	0	0	110	V100 R103 F104 L112 L134 L137	V100-V110 HydrophobicContact CG1-CG1 4.04Å; V100-V110 HydrophobicContact CG1-CG2 3.82Å; R103-V110 HydrophobicContact CB-CG2 4.33Å; F104-V110 HydrophobicContact CB-CB 4.41Å; F104-V110 HydrophobicContact CB-CG1 4.35Å; F104-V110 HydrophobicContact CD2-CG1 4.15Å; V110-L112 HydrophobicContact CG1-CD2 4.27Å; V110-L112 PolarHBondContact O-N 2.91Å; V110-L134 HydrophobicContact CG1-CD1 3.63Å; V110-L137 HydrophobicContact CG1-CD2 4.26Å
111	A	85.8	Confident	88.3	Confident	95 Å²	95	52 Å²	52	79%	0.785	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-75.7	118.5	170.7	0	0	0	0	0	108.9
112	L	86.5	Confident	88.3	Confident	27 Å²	27	52.1 Å²	52.1	14%	0.141	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-75.7	139.9	177.1	-67	177	0	0	0	110.5	V110 V119 I122 L137 C138 W141	V110-L112 HydrophobicContact CG1-CD2 4.27Å; V110-L112 PolarHBondContact O-N 2.91Å; L112-V119 HydrophobicContact CB-CG2 4.07Å; L112-V119 HydrophobicContact CD1-CG1 4.06Å; L112-I122 HydrophobicContact CD2-CD1 4.34Å; L112-I122 HydrophobicContact CD2-CG2 4.33Å; L112-L137 HydrophobicContact CD1-CD2 4.33Å; L112-L137 HydrophobicContact CD1-CG 3.97Å; L112-L137 HydrophobicContact CG-CD2 4.31Å; L112-L137 HydrophobicContact CG-CG 4.47Å; L112-C138 HydrophobicContact CD1-CB 4.43Å; L112-W141 HydrophobicContact CB-CG 4.34Å; L112-W141 HydrophobicContact CD1-CB 3.62Å; L112-W141 HydrophobicContact CD1-CG 3.83Å
113	P	80.6	Confident	88.3	Confident	35 Å²	35	53 Å²	53	23%	0.227	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.1	146.9	177.3	28	-34.8	0	0	0	110.7	C115 F118 V119 I122 W141	P113-C115 PolarHBondContact O-N 3.08Å; P113-F118 HydrophobicContact CB-CB 4.48Å; P113-F118 HydrophobicContact CB-CD1 4.42Å; P113-F118 HydrophobicContact CG-CB 3.75Å; P113-F118 HydrophobicContact CG-CD1 4.08Å; P113-F118 HydrophobicContact CG-CG 4.41Å; P113-V119 HydrophobicContact CG-CG2 4.14Å; P113-V119 WeakPolarHBondContact O-CG2 3.35Å; P113-I122 HydrophobicContact CG-CD1 3.86Å; P113-W141 WeakPolarHBondContact O-CZ2 3.41Å
114	N	76.3	Confident	88.4	Confident	111 Å²	111	49.4 Å²	49.4	59%	0.594	28%	0.282	S	S	*	.	S	Bend	trans	-77.2	57.7	177.7	-165.2	33.3	0	0	0	112.4
115	C	75.6	Confident	88.4	Confident	12 Å²	12	49.5 Å²	49.5	8%	0.081	28%	0.283	C	S	.	.			trans	-152.1	113.3	-178.9	174.4	0	0	0	0	109.4	P113 T117 F118 V119	P113-C115 PolarHBondContact O-N 3.08Å; C115-T117 VanDerWaalsContact C-N 3.32Å; C115-T117 PolarHBondContact O-N 2.76Å; C115-F118 HydrophobicContact CB-CB 3.98Å; C115-F118 HydrophobicContact CB-CG 4.42Å; C115-F118 WeakPolarHBondContact O-CB 3.48Å; C115-F118 PolarHBondContact O-N 2.9Å; C115-F118 VanDerWaalsContact O-N 3.1Å; C115-V119 WeakPolarHBondContact O-CG2 3.38Å; C115-V119 PolarHBondContact O-N 3.06Å
116	A	82.2	Confident	88.4	Confident	43 Å²	43	49.5 Å²	49.5	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-41.9	-175.2	0	0	0	0	0	113.3	F118 V119 Q120 W141 L142	A116-F118 VanDerWaalsContact C-N 3.3Å; A116-F118 PolarHBondContact O-N 3.2Å; A116-V119 PolarHBondContact O-N 3.44Å; A116-Q120 WeakPolarHBondContact O-CG 3.33Å; A116-Q120 PolarHBondContact O-N 2.94Å; A116-W141 HydrophobicContact CB-CZ3 4.22Å; A116-L142 HydrophobicContact CB-CD2 4.02Å
117	T	81.8	Confident	88.5	Confident	46 Å²	46	50 Å²	50	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-41.3	178.4	-29.6	0	0	0	0	111.5	C115 Q120 H121	C115-T117 VanDerWaalsContact C-N 3.32Å; C115-T117 PolarHBondContact O-N 2.76Å; T117-Q120 PolarHBondContact O-N 3.05Å; T117-H121 PolarHBondContact O-CD2 2.83Å; T117-H121 PolarHBondContact O-N 3.33Å; T117-H121 VanDerWaalsContact O-N 3.13Å
118	F	84.3	Confident	88.7	Confident	16 Å²	16	49.2 Å²	49.2	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-45.5	176.7	-99.1	-128.2	0	0	0	112.3	H97 P113 C115 A116 Q120 H121 I122 H298 C299	H97-F118 AromaticContact CE1-CD1 3.94Å; H97-F118 AromaticContact CE1-CE1 3.41Å; H97-F118 VanDerWaalsContact CE1-CE1 3.41Å; H97-F118 WeakPolarHBondContact CE1-CE1 3.39Å; H97-F118 AromaticContact CE1-CE2 3.97Å; H97-F118 AromaticContact CE1-CZ 3.38Å; H97-F118 WeakPolarHBondContact CE1-CZ 3.47Å; P113-F118 HydrophobicContact CB-CB 4.48Å; P113-F118 HydrophobicContact CB-CD1 4.42Å; P113-F118 HydrophobicContact CG-CB 3.75Å; P113-F118 HydrophobicContact CG-CD1 4.08Å; P113-F118 HydrophobicContact CG-CG 4.41Å; C115-F118 HydrophobicContact CB-CB 3.98Å; C115-F118 HydrophobicContact CB-CG 4.42Å; C115-F118 WeakPolarHBondContact O-CB 3.48Å; C115-F118 PolarHBondContact O-N 2.9Å; C115-F118 VanDerWaalsContact O-N 3.1Å; A116-F118 VanDerWaalsContact C-N 3.3Å; A116-F118 PolarHBondContact O-N 3.2Å; F118-Q120 VanDerWaalsContact C-N 3.27Å; F118-Q120 PolarHBondContact O-N 3.41Å; F118-H121 PolarHBondContact O-N 2.94Å; F118-H121 VanDerWaalsContact O-N 3.15Å; F118-I122 WeakPolarHBondContact O-CG1 3.48Å; F118-I122 PolarHBondContact O-N 3.28Å; F118-H298 HydrophobicContact CD1-CB 3.99Å; F118-H298 AromaticContact CD1-CD2 3.98Å; F118-H298 HydrophobicContact CD2-CB 4.1Å; F118-H298 HydrophobicContact CE1-CB 3.51Å; F118-H298 AromaticContact CE1-CD2 3.58Å; F118-H298 AromaticContact CE1-CG 3.97Å; F118-H298 HydrophobicContact CE2-CB 3.74Å; F118-H298 WeakPolarHBondContact CE2-O 3.47Å; F118-H298 HydrophobicContact CG-CB 4.29Å; F118-H298 HydrophobicContact CZ-CB 3.41Å; F118-H298 VanDerWaalsContact CZ-CB 3.41Å; F118-H298 WeakPolarHBondContact CZ-O 3.36Å; F118-C299 HydrophobicContact CD2-CB 4.44Å; F118-C299 HydrophobicContact CE2-CB 4.29Å
119	V	89.7	Confident	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-36	178.6	177.4	0	0	0	0	111.1	L112 P113 C115 A116 I122 M123 C138 W141 L142	L112-V119 HydrophobicContact CB-CG2 4.07Å; L112-V119 HydrophobicContact CD1-CG1 4.06Å; P113-V119 HydrophobicContact CG-CG2 4.14Å; P113-V119 WeakPolarHBondContact O-CG2 3.35Å; C115-V119 WeakPolarHBondContact O-CG2 3.38Å; C115-V119 PolarHBondContact O-N 3.06Å; A116-V119 PolarHBondContact O-N 3.44Å; V119-I122 PolarHBondContact O-N 3.33Å; V119-M123 WeakPolarHBondContact O-CB 3.4Å; V119-M123 PolarHBondContact O-N 3.37Å; V119-C138 HydrophobicContact CG1-CB 3.76Å; V119-W141 HydrophobicContact CB-CD2 4.49Å; V119-W141 HydrophobicContact CB-CE3 3.77Å; V119-W141 HydrophobicContact CB-CZ3 3.96Å; V119-W141 HydrophobicContact CG1-CD2 4.26Å; V119-W141 HydrophobicContact CG1-CE3 3.71Å; V119-W141 HydrophobicContact CG1-CZ3 4.39Å; V119-W141 HydrophobicContact CG2-CD2 3.93Å; V119-W141 HydrophobicContact CG2-CE3 3.58Å; V119-W141 HydrophobicContact CG2-CH2 4.11Å; V119-W141 HydrophobicContact CG2-CZ2 4.42Å; V119-W141 HydrophobicContact CG2-CZ3 3.7Å; V119-L142 HydrophobicContact CB-CD2 4.26Å; V119-L142 HydrophobicContact CG1-CD1 4.27Å; V119-L142 HydrophobicContact CG1-CD2 4.23Å; V119-L142 HydrophobicContact CG1-CG 3.93Å
120	Q	90.6	Very high	89.3	Confident	96 Å²	96	45.5 Å²	45.5	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-41.4	172.5	-72.3	174.1	7.5	0	0	112.7	A116 T117 F118 M123 A124 L142	A116-Q120 WeakPolarHBondContact O-CG 3.33Å; A116-Q120 PolarHBondContact O-N 2.94Å; T117-Q120 PolarHBondContact O-N 3.05Å; F118-Q120 VanDerWaalsContact C-N 3.27Å; F118-Q120 PolarHBondContact O-N 3.41Å; Q120-M123 WeakPolarHBondContact O-CB 3.34Å; Q120-M123 PolarHBondContact O-N 2.9Å; Q120-A124 PolarHBondContact O-N 3.28Å; Q120-L142 HydrophobicContact CG-CD1 3.83Å; Q120-L142 HydrophobicContact CG-CD2 3.99Å
121	H	91.8	Very high	89.5	Confident	90 Å²	90	44.8 Å²	44.8	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-44.2	174.9	-68	-56.5	0	0	0	112.1	T117 F118 M123 A124 E125	T117-H121 PolarHBondContact O-CD2 2.83Å; T117-H121 PolarHBondContact O-N 3.33Å; T117-H121 VanDerWaalsContact O-N 3.13Å; F118-H121 PolarHBondContact O-N 2.94Å; F118-H121 VanDerWaalsContact O-N 3.15Å; H121-M123 VanDerWaalsContact C-N 3.29Å; H121-M123 PolarHBondContact O-N 2.81Å; H121-A124 WeakPolarHBondContact O-CB 3.49Å; H121-A124 PolarHBondContact O-N 3.19Å; H121-E125 PolarHBondContact O-N 3.43Å; H121-E125 VanDerWaalsContact O-N 3.11Å
122	I	94	Very high	89.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-43.2	174.5	-66.1	161.2	0	0	0	110.2	H97 V100 L112 P113 F118 V119 A124 E125 A126 L134	H97-I122 HydrophobicContact CB-CG1 4.2Å; V100-I122 HydrophobicContact CB-CG1 4.44Å; V100-I122 HydrophobicContact CG1-CD1 4.08Å; V100-I122 HydrophobicContact CG1-CG1 4.27Å; V100-I122 HydrophobicContact CG1-CG2 3.86Å; V100-I122 HydrophobicContact CG2-CD1 4.1Å; V100-I122 HydrophobicContact CG2-CG1 4.3Å; L112-I122 HydrophobicContact CD2-CD1 4.34Å; L112-I122 HydrophobicContact CD2-CG2 4.33Å; P113-I122 HydrophobicContact CG-CD1 3.86Å; F118-I122 WeakPolarHBondContact O-CG1 3.48Å; F118-I122 PolarHBondContact O-N 3.28Å; V119-I122 PolarHBondContact O-N 3.33Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 2.95Å; I122-E125 PolarHBondContact O-N 2.76Å; I122-A126 WeakPolarHBondContact O-CB 3.47Å; I122-A126 PolarHBondContact O-N 3.03Å; I122-L134 HydrophobicContact CG2-CD2 4.36Å
123	M	95.8	Very high	90.3	Very high	23 Å²	23	50.7 Å²	50.7	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-39.9	177.2	-172.8	178.2	59.7	0	0	112	V119 Q120 H121 A126 K127 V135 C138 Q139 L142	V119-M123 WeakPolarHBondContact O-CB 3.4Å; V119-M123 PolarHBondContact O-N 3.37Å; Q120-M123 WeakPolarHBondContact O-CB 3.34Å; Q120-M123 PolarHBondContact O-N 2.9Å; H121-M123 VanDerWaalsContact C-N 3.29Å; H121-M123 PolarHBondContact O-N 2.81Å; M123-A126 PolarHBondContact O-N 3.11Å; M123-K127 HydrophobicContact CG-CD 4.46Å; M123-K127 WeakPolarHBondContact O-CB 3.4Å; M123-K127 WeakPolarHBondContact O-CG 3.11Å; M123-K127 PolarHBondContact O-N 2.85Å; M123-V135 HydrophobicContact CG-CG1 4.23Å; M123-C138 HydrophobicContact CB-CB 3.7Å; M123-C138 HydrophobicContact CG-CB 3.98Å; M123-C138 HydrophobicContact SD-CB 4.35Å; M123-Q139 HydrophobicContact SD-CB 4.5Å; M123-L142 HydrophobicContact CE-CD1 4.02Å; M123-L142 HydrophobicContact SD-CD1 4.26Å
124	A	95.8	Very high	91	Very high	44 Å²	44	49 Å²	49	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.8	0	0	0	0	0	111.6	Q120 H121 I122 K127 Y128	Q120-A124 PolarHBondContact O-N 3.28Å; H121-A124 WeakPolarHBondContact O-CB 3.49Å; H121-A124 PolarHBondContact O-N 3.19Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 2.95Å; A124-K127 PolarHBondContact O-N 3.42Å; A124-Y128 PolarHBondContact O-N 3.08Å; A124-Y128 VanDerWaalsContact O-N 3.07Å
125	E	95.4	Very high	91.9	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-41.1	174.8	-62.7	-46.4	129.7	0	0	111.8	R93 I101 H121 I122 K127 Y128 Y129	R93-E125 IonicContact CZ-OE1 3.75Å; R93-E125 IonicContact CZ-OE2 3.26Å; R93-E125 IonicContact NE-OE1 3.03Å; R93-E125 IonicContact NE-OE2 2.76Å; R93-E125 PolarHBondContact NE-OE2 3.26Å; R93-E125 IonicContact NH2-OE1 3.57Å; R93-E125 PolarHBondContact NH2-OE1 2.97Å; R93-E125 IonicContact NH2-OE2 3.58Å; I101-E125 HydrophobicContact CD1-CB 3.99Å; I101-E125 HydrophobicContact CG1-CB 4.32Å; H121-E125 PolarHBondContact O-N 3.43Å; H121-E125 VanDerWaalsContact O-N 3.11Å; I122-E125 PolarHBondContact O-N 2.76Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.42Å; E125-Y128 WeakPolarHBondContact O-CB 3.5Å; E125-Y128 PolarHBondContact O-N 3.17Å; E125-Y128 VanDerWaalsContact O-N 3.11Å; E125-Y129 HydrophobicContact CB-CD2 4.27Å; E125-Y129 HydrophobicContact CB-CE2 4.08Å; E125-Y129 WeakPolarHBondContact O-CD2 3.33Å; E125-Y129 PolarHBondContact O-N 3.43Å
126	A	95.8	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-39	176	0	0	0	0	0	112.4	I101 I122 M123 C130 M131 L134 V135	I101-A126 HydrophobicContact CD1-CB 4.48Å; I122-A126 WeakPolarHBondContact O-CB 3.47Å; I122-A126 PolarHBondContact O-N 3.03Å; M123-A126 PolarHBondContact O-N 3.11Å; A126-C130 PolarHBondContact O-N 3.32Å; A126-M131 HydrophobicContact CB-CE 4.31Å; A126-M131 PolarHBondContact O-N 2.77Å; A126-L134 HydrophobicContact CB-CB 4.07Å; A126-L134 HydrophobicContact CB-CD2 3.83Å; A126-L134 HydrophobicContact CB-CG 3.82Å; A126-V135 HydrophobicContact CB-CG2 3.67Å
127	K	96.6	Very high	93.4	Very high	117 Å²	117	50.2 Å²	50.2	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-44.6	172.4	-75.6	176.7	-178.2	176.6	0	111.4	M123 A124 E125 C130 V135	M123-K127 HydrophobicContact CG-CD 4.46Å; M123-K127 WeakPolarHBondContact O-CB 3.4Å; M123-K127 WeakPolarHBondContact O-CG 3.11Å; M123-K127 PolarHBondContact O-N 2.85Å; A124-K127 PolarHBondContact O-N 3.42Å; E125-K127 VanDerWaalsContact C-N 3.3Å; E125-K127 PolarHBondContact O-N 3.42Å; K127-C130 PolarHBondContact O-N 2.95Å; K127-C130 VanDerWaalsContact O-N 3.17Å; K127-V135 HydrophobicContact CB-CG2 4.32Å; K127-V135 HydrophobicContact CG-CB 4.47Å; K127-V135 HydrophobicContact CG-CG1 3.96Å; K127-V135 HydrophobicContact CG-CG2 3.59Å
128	Y	95.8	Very high	94	Very high	83 Å²	83	48 Å²	48	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-45.9	178.5	178	-94.2	0	0	0	112.4	M70 I91 R93 A124 E125 C130	M70-Y128 HydrophobicContact CE-CE1 4.29Å; M70-Y128 HydrophobicContact SD-CD1 4.31Å; M70-Y128 HydrophobicContact SD-CE1 3.75Å; I91-Y128 HydrophobicContact CG2-CE1 4.5Å; R93-Y128 HydrophobicContact CG-CD1 3.55Å; R93-Y128 HydrophobicContact CG-CD2 4.44Å; R93-Y128 HydrophobicContact CG-CE1 3.29Å; R93-Y128 HydrophobicContact CG-CE2 4.22Å; R93-Y128 HydrophobicContact CG-CG 4.13Å; A124-Y128 PolarHBondContact O-N 3.08Å; A124-Y128 VanDerWaalsContact O-N 3.07Å; E125-Y128 WeakPolarHBondContact O-CB 3.5Å; E125-Y128 PolarHBondContact O-N 3.17Å; E125-Y128 VanDerWaalsContact O-N 3.11Å; Y128-C130 PolarHBondContact O-N 2.98Å
129	Y	95.7	Very high	94.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	6.5	177.6	-61.7	-63.6	0	0	0	113.7	V52 S69 M70 L71 I91 F98 I101 E125 M131	V52-Y129 WeakPolarHBondContact CG1-OH 3.47Å; S69-Y129 WeakPolarHBondContact CB-O 3.43Å; M70-Y129 PolarHBondContact N-O 3.19Å; L71-Y129 HydrophobicContact CD1-CD1 4.02Å; L71-Y129 HydrophobicContact CD1-CG 4.28Å; L71-Y129 HydrophobicContact CD2-CD1 4.13Å; L71-Y129 HydrophobicContact CD2-CE1 4.2Å; L71-Y129 HydrophobicContact CG-CD1 3.87Å; L71-Y129 HydrophobicContact CG-CE1 4.42Å; I91-Y129 HydrophobicContact CD1-CE1 4.46Å; I91-Y129 HydrophobicContact CG2-CE1 4.19Å; F98-Y129 AromaticContact CD2-CE2 3.68Å; F98-Y129 HydrophobicContact CD2-CE2 3.68Å; F98-Y129 AromaticContact CD2-CZ 3.61Å; F98-Y129 VanDerWaalsContact CD2-OH 3.32Å; F98-Y129 WeakPolarHBondContact CD2-OH 3.22Å; F98-Y129 HydrophobicContact CE2-CD2 4.48Å; F98-Y129 AromaticContact CE2-CE1 3.95Å; F98-Y129 HydrophobicContact CE2-CE1 3.95Å; F98-Y129 AromaticContact CE2-CE2 3.79Å; F98-Y129 HydrophobicContact CE2-CE2 3.79Å; F98-Y129 AromaticContact CE2-CZ 3.48Å; F98-Y129 VanDerWaalsContact CE2-CZ 3.48Å; F98-Y129 WeakPolarHBondContact CE2-OH 3.5Å; I101-Y129 HydrophobicContact CD1-CD2 4.25Å; I101-Y129 HydrophobicContact CG1-CD2 4.11Å; I101-Y129 HydrophobicContact CG1-CE2 4.17Å; I101-Y129 HydrophobicContact CG2-CD2 3.98Å; I101-Y129 HydrophobicContact CG2-CE2 4.4Å; I101-Y129 HydrophobicContact CG2-CG 4.49Å; E125-Y129 HydrophobicContact CB-CD2 4.27Å; E125-Y129 HydrophobicContact CB-CE2 4.08Å; E125-Y129 WeakPolarHBondContact O-CD2 3.33Å; E125-Y129 PolarHBondContact O-N 3.43Å; Y129-M131 VanDerWaalsContact C-N 3.34Å; Y129-M131 PolarHBondContact O-N 3.26Å
130	C	95.5	Very high	94.5	Very high	81 Å²	81	53.6 Å²	53.6	55%	0.547	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	39.6	179.4	-55.1	0	0	0	0	113.9	A126 K127 Y128 Q132	A126-C130 PolarHBondContact O-N 3.32Å; K127-C130 PolarHBondContact O-N 2.95Å; K127-C130 VanDerWaalsContact O-N 3.17Å; Y128-C130 PolarHBondContact O-N 2.98Å; C130-Q132 PolarHBondContact O-N 3.15Å
131	M	94.8	Very high	94.4	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.03	26%	0.258	C	S	.	.			trans	-98.7	81.6	-179.5	-63.3	-170.4	-64.9	0	0	111.1	I101 F104 L105 A126 Y129 D133 L134 V135	I101-M131 HydrophobicContact CB-CE 4.04Å; I101-M131 HydrophobicContact CD1-CE 3.34Å; I101-M131 HydrophobicContact CG1-CE 4.13Å; I101-M131 HydrophobicContact CG2-CE 3.34Å; I101-M131 HydrophobicContact CG2-SD 4.04Å; F104-M131 HydrophobicContact CD1-SD 4.04Å; L105-M131 HydrophobicContact CD2-SD 4.04Å; L105-M131 HydrophobicContact CG-SD 4.2Å; A126-M131 HydrophobicContact CB-CE 4.31Å; A126-M131 PolarHBondContact O-N 2.77Å; Y129-M131 VanDerWaalsContact C-N 3.34Å; Y129-M131 PolarHBondContact O-N 3.26Å; M131-D133 VanDerWaalsContact C-N 3.3Å; M131-D133 PolarHBondContact O-N 2.96Å; M131-L134 HydrophobicContact CB-CB 4.24Å; M131-L134 HydrophobicContact CE-CD2 3.74Å; M131-L134 PolarHBondContact O-N 2.67Å; M131-L134 VanDerWaalsContact O-N 3.15Å; M131-V135 WeakPolarHBondContact O-CG2 3.32Å; M131-V135 PolarHBondContact O-N 3.45Å
132	Q	93.9	Very high	94.2	Very high	135 Å²	135	47.9 Å²	47.9	63%	0.631	24%	0.241	S	C	*	.	H	α-helix	trans	-58.3	-38.6	-171.2	-169	60.6	26.4	0	0	113.6	C130 L134 V135 H136	C130-Q132 PolarHBondContact O-N 3.15Å; Q132-L134 PolarHBondContact O-N 2.81Å; Q132-V135 PolarHBondContact O-N 2.98Å; Q132-H136 PolarHBondContact O-N 3.48Å
133	D	94.5	Very high	93.7	Very high	110 Å²	110	52.3 Å²	52.3	59%	0.588	26%	0.262	S	S	*	.	H	α-helix	trans	-63.2	-41.4	179.4	-65.1	-19.7	0	0	0	112	F104 M131 H136 L137	F104-D133 HydrophobicContact CZ-CB 3.92Å; M131-D133 VanDerWaalsContact C-N 3.3Å; M131-D133 PolarHBondContact O-N 2.96Å; D133-H136 PolarHBondContact O-N 2.92Å; D133-L137 PolarHBondContact O-N 2.95Å
134	L	94.9	Very high	92.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-37	176.9	-177.2	57.9	0	0	0	111.5	I101 F104 V110 I122 A126 M131 Q132 H136 L137 C138	I101-L134 HydrophobicContact CD1-CD2 3.9Å; F104-L134 HydrophobicContact CB-CD2 4.11Å; F104-L134 HydrophobicContact CD1-CB 4.05Å; F104-L134 HydrophobicContact CD1-CD2 4.2Å; F104-L134 HydrophobicContact CD2-CB 4.28Å; F104-L134 HydrophobicContact CD2-CD1 3.95Å; F104-L134 HydrophobicContact CD2-CG 4.48Å; F104-L134 HydrophobicContact CE1-CB 3.91Å; F104-L134 HydrophobicContact CE2-CB 4.15Å; F104-L134 HydrophobicContact CE2-CD1 4.31Å; F104-L134 HydrophobicContact CG-CB 4.24Å; F104-L134 HydrophobicContact CG-CD1 4.26Å; F104-L134 HydrophobicContact CG-CD2 4.01Å; F104-L134 HydrophobicContact CG-CG 4.41Å; F104-L134 HydrophobicContact CZ-CB 3.97Å; V110-L134 HydrophobicContact CG1-CD1 3.63Å; I122-L134 HydrophobicContact CG2-CD2 4.36Å; A126-L134 HydrophobicContact CB-CB 4.07Å; A126-L134 HydrophobicContact CB-CD2 3.83Å; A126-L134 HydrophobicContact CB-CG 3.82Å; M131-L134 HydrophobicContact CB-CB 4.24Å; M131-L134 HydrophobicContact CE-CD2 3.74Å; M131-L134 PolarHBondContact O-N 2.67Å; M131-L134 VanDerWaalsContact O-N 3.15Å; Q132-L134 PolarHBondContact O-N 2.81Å; L134-H136 VanDerWaalsContact C-N 3.31Å; L134-H136 PolarHBondContact O-N 3.17Å; L134-L137 HydrophobicContact CD1-CD2 4.05Å; L134-L137 WeakPolarHBondContact O-CB 3.43Å; L134-L137 PolarHBondContact O-N 3.35Å; L134-C138 PolarHBondContact O-N 2.94Å; L134-C138 PolarHBondContact O-SG 2.91Å; L134-C138 VanDerWaalsContact O-SG 3.33Å
135	V	96.2	Very high	91.7	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-45.2	173.1	175.3	0	0	0	0	110.5	M123 A126 K127 M131 Q132 L137 C138 Q139	M123-V135 HydrophobicContact CG-CG1 4.23Å; A126-V135 HydrophobicContact CB-CG2 3.67Å; K127-V135 HydrophobicContact CB-CG2 4.32Å; K127-V135 HydrophobicContact CG-CB 4.47Å; K127-V135 HydrophobicContact CG-CG1 3.96Å; K127-V135 HydrophobicContact CG-CG2 3.59Å; M131-V135 WeakPolarHBondContact O-CG2 3.32Å; M131-V135 PolarHBondContact O-N 3.45Å; Q132-V135 PolarHBondContact O-N 2.98Å; V135-L137 VanDerWaalsContact C-N 3.35Å; V135-C138 PolarHBondContact O-N 3.15Å; V135-Q139 WeakPolarHBondContact O-CB 3.5Å; V135-Q139 PolarHBondContact O-N 3.13Å
136	H	95.4	Very high	90.2	Very high	111 Å²	111	60.8 Å²	60.8	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-39.9	177.6	-165.2	-26	0	0	0	111.8	Q132 D133 L134 Q139 N140	Q132-H136 PolarHBondContact O-N 3.48Å; D133-H136 PolarHBondContact O-N 2.92Å; L134-H136 VanDerWaalsContact C-N 3.31Å; L134-H136 PolarHBondContact O-N 3.17Å; H136-Q139 PolarHBondContact O-N 2.95Å; H136-N140 VanDerWaalsContact CE1-CG 3.47Å; H136-N140 PolarHBondContact CE1-ND2 3.33Å; H136-N140 PolarHBondContact CE1-OD1 3.31Å; H136-N140 PolarHBondContact ND1-ND2 3.01Å; H136-N140 PolarHBondContact ND1-OD1 3.34Å; H136-N140 WeakPolarHBondContact O-CB 3.38Å; H136-N140 PolarHBondContact O-N 3.4Å; H136-N140 PolarHBondContact O-OD1 3.4Å
137	L	93.3	Very high	88.3	Confident	68 Å²	68	63.5 Å²	63.5	36%	0.356	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-46.3	175	-173.4	70	0	0	0	111.5	V110 L112 D133 L134 V135 W141	V110-L137 HydrophobicContact CG1-CD2 4.26Å; L112-L137 HydrophobicContact CD1-CD2 4.33Å; L112-L137 HydrophobicContact CD1-CG 3.97Å; L112-L137 HydrophobicContact CG-CD2 4.31Å; L112-L137 HydrophobicContact CG-CG 4.47Å; D133-L137 PolarHBondContact O-N 2.95Å; L134-L137 HydrophobicContact CD1-CD2 4.05Å; L134-L137 WeakPolarHBondContact O-CB 3.43Å; L134-L137 PolarHBondContact O-N 3.35Å; V135-L137 VanDerWaalsContact C-N 3.35Å; L137-W141 WeakPolarHBondContact O-CB 3.33Å; L137-W141 PolarHBondContact O-N 3.39Å
138	C	94.2	Very high	86.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-42.7	177.3	-66.7	0	0	0	0	112.6	L112 V119 M123 L134 V135 W141 L142	L112-C138 HydrophobicContact CD1-CB 4.43Å; V119-C138 HydrophobicContact CG1-CB 3.76Å; M123-C138 HydrophobicContact CB-CB 3.7Å; M123-C138 HydrophobicContact CG-CB 3.98Å; M123-C138 HydrophobicContact SD-CB 4.35Å; L134-C138 PolarHBondContact O-N 2.94Å; L134-C138 PolarHBondContact O-SG 2.91Å; L134-C138 VanDerWaalsContact O-SG 3.33Å; V135-C138 PolarHBondContact O-N 3.15Å; C138-W141 PolarHBondContact O-N 2.93Å; C138-L142 WeakPolarHBondContact O-CG 3.38Å; C138-L142 PolarHBondContact O-N 2.76Å
139	Q	93.7	Very high	84.4	Confident	69 Å²	69	66.8 Å²	66.8	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-62.5	-48.7	178.9	-174.3	65.4	35	0	0	111.1	M123 V135 H136 W141 L142 E143	M123-Q139 HydrophobicContact SD-CB 4.5Å; V135-Q139 WeakPolarHBondContact O-CB 3.5Å; V135-Q139 PolarHBondContact O-N 3.13Å; H136-Q139 PolarHBondContact O-N 2.95Å; Q139-W141 VanDerWaalsContact C-N 3.26Å; Q139-W141 PolarHBondContact O-N 3.25Å; Q139-L142 PolarHBondContact O-N 3.11Å; Q139-L142 VanDerWaalsContact O-N 3.17Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.35Å; Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.35Å
140	N	91.6	Very high	82.3	Confident	64 Å²	64	75 Å²	75	34%	0.342	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-40.3	176.1	-71.6	-5.3	0	0	0	111.8	H136 N144	H136-N140 VanDerWaalsContact CE1-CG 3.47Å; H136-N140 PolarHBondContact CE1-ND2 3.33Å; H136-N140 PolarHBondContact CE1-OD1 3.31Å; H136-N140 PolarHBondContact ND1-ND2 3.01Å; H136-N140 PolarHBondContact ND1-OD1 3.34Å; H136-N140 WeakPolarHBondContact O-CB 3.38Å; H136-N140 PolarHBondContact O-N 3.4Å; H136-N140 PolarHBondContact O-OD1 3.4Å; N140-N144 VanDerWaalsContact O-CB 3.32Å; N140-N144 WeakPolarHBondContact O-CB 3.18Å; N140-N144 PolarHBondContact O-N 3.36Å; N140-N144 PolarHBondContact O-ND2 3.49Å
141	W	88.9	Confident	80.2	Confident	54 Å²	54	78 Å²	78	21%	0.205	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-44.9	178	-172.7	93.8	0	0	0	111	L112 P113 A116 V119 L137 C138 Q139 N144 C145	L112-W141 HydrophobicContact CB-CG 4.34Å; L112-W141 HydrophobicContact CD1-CB 3.62Å; L112-W141 HydrophobicContact CD1-CG 3.83Å; P113-W141 WeakPolarHBondContact O-CZ2 3.41Å; A116-W141 HydrophobicContact CB-CZ3 4.22Å; V119-W141 HydrophobicContact CB-CD2 4.49Å; V119-W141 HydrophobicContact CB-CE3 3.77Å; V119-W141 HydrophobicContact CB-CZ3 3.96Å; V119-W141 HydrophobicContact CG1-CD2 4.26Å; V119-W141 HydrophobicContact CG1-CE3 3.71Å; V119-W141 HydrophobicContact CG1-CZ3 4.39Å; V119-W141 HydrophobicContact CG2-CD2 3.93Å; V119-W141 HydrophobicContact CG2-CE3 3.58Å; V119-W141 HydrophobicContact CG2-CH2 4.11Å; V119-W141 HydrophobicContact CG2-CZ2 4.42Å; V119-W141 HydrophobicContact CG2-CZ3 3.7Å; L137-W141 WeakPolarHBondContact O-CB 3.33Å; L137-W141 PolarHBondContact O-N 3.39Å; C138-W141 PolarHBondContact O-N 2.93Å; Q139-W141 VanDerWaalsContact C-N 3.26Å; Q139-W141 PolarHBondContact O-N 3.25Å; W141-N144 PolarHBondContact O-N 2.97Å; W141-C145 WeakPolarHBondContact CH2-SG 3.34Å; W141-C145 WeakPolarHBondContact CZ2-SG 3.46Å; W141-C145 HydrophobicContact CZ3-CB 4.3Å; W141-C145 VanDerWaalsContact CZ3-SG 3.51Å; W141-C145 PolarHBondContact O-N 3.04Å; W141-C145 PolarHBondContact O-SG 2.81Å; W141-C145 VanDerWaalsContact O-SG 3.34Å
142	L	86.3	Confident	78.3	Confident	12 Å²	12	83.3 Å²	83.3	6%	0.063	42%	0.422	C	S	.	.	H	α-helix	trans	-63.8	-45.8	177.9	-71.5	166.5	0	0	0	112	A116 V119 Q120 M123 C138 Q139 N144 C145 E146	A116-L142 HydrophobicContact CB-CD2 4.02Å; V119-L142 HydrophobicContact CB-CD2 4.26Å; V119-L142 HydrophobicContact CG1-CD1 4.27Å; V119-L142 HydrophobicContact CG1-CD2 4.23Å; V119-L142 HydrophobicContact CG1-CG 3.93Å; Q120-L142 HydrophobicContact CG-CD1 3.83Å; Q120-L142 HydrophobicContact CG-CD2 3.99Å; M123-L142 HydrophobicContact CE-CD1 4.02Å; M123-L142 HydrophobicContact SD-CD1 4.26Å; C138-L142 WeakPolarHBondContact O-CG 3.38Å; C138-L142 PolarHBondContact O-N 2.76Å; Q139-L142 PolarHBondContact O-N 3.11Å; Q139-L142 VanDerWaalsContact O-N 3.17Å; L142-N144 PolarHBondContact O-N 3.27Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.2Å; L142-E146 WeakPolarHBondContact O-CG 3.44Å; L142-E146 PolarHBondContact O-N 3.37Å
143	E	84.6	Confident	76.8	Confident	95 Å²	95	86.7 Å²	86.7	44%	0.444	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-41	177.9	-72.5	171.6	-170.2	0	0	112.1	Q139 C145 E146 A147	Q139-E143 WeakPolarHBondContact CG-OE1 3.35Å; Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 WeakPolarHBondContact O-CG 3.48Å; Q139-E143 PolarHBondContact O-N 3.35Å; E143-C145 VanDerWaalsContact C-N 3.33Å; E143-C145 PolarHBondContact O-N 3.1Å; E143-E146 PolarHBondContact O-N 3.02Å; E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.38Å
144	N	78.3	Confident	75.6	Confident	102 Å²	102	86 Å²	86	55%	0.545	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-36	175.6	-73.8	-38.9	0	0	0	112	N140 W141 L142 I148	N140-N144 VanDerWaalsContact O-CB 3.32Å; N140-N144 WeakPolarHBondContact O-CB 3.18Å; N140-N144 PolarHBondContact O-N 3.36Å; N140-N144 PolarHBondContact O-ND2 3.49Å; W141-N144 PolarHBondContact O-N 2.97Å; L142-N144 PolarHBondContact O-N 3.27Å; N144-I148 VanDerWaalsContact O-CD1 3.29Å; N144-I148 WeakPolarHBondContact O-CD1 3.29Å; N144-I148 WeakPolarHBondContact O-CG1 3.45Å; N144-I148 PolarHBondContact O-N 2.75Å; N144-I148 VanDerWaalsContact O-N 3.11Å
145	C	70.3	Confident	75	Confident	32 Å²	32	88.6 Å²	88.6	22%	0.216	45%	0.446	C	S	.	.	H	α-helix	trans	-65.8	-43.1	174.2	-74.8	0	0	0	0	112.1	W141 L142 E143 I148 E149	W141-C145 WeakPolarHBondContact CH2-SG 3.34Å; W141-C145 WeakPolarHBondContact CZ2-SG 3.46Å; W141-C145 HydrophobicContact CZ3-CB 4.3Å; W141-C145 VanDerWaalsContact CZ3-SG 3.51Å; W141-C145 PolarHBondContact O-N 3.04Å; W141-C145 PolarHBondContact O-SG 2.81Å; W141-C145 VanDerWaalsContact O-SG 3.34Å; L142-C145 WeakPolarHBondContact O-CB 3.49Å; L142-C145 PolarHBondContact O-N 3.2Å; E143-C145 VanDerWaalsContact C-N 3.33Å; E143-C145 PolarHBondContact O-N 3.1Å; C145-I148 PolarHBondContact O-N 2.86Å; C145-E149 PolarHBondContact O-N 3.29Å
146	E	63.2	Low	74.6	Confident	124 Å²	124	98 Å²	98	58%	0.579	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-40.5	175.8	-71.1	177.5	-180	0	0	111.7	L142 E143 I148 E149 E150	L142-E146 WeakPolarHBondContact O-CG 3.44Å; L142-E146 PolarHBondContact O-N 3.37Å; E143-E146 PolarHBondContact O-N 3.02Å; E146-I148 VanDerWaalsContact C-N 3.31Å; E146-I148 PolarHBondContact O-N 3.15Å; E146-E149 WeakPolarHBondContact O-CB 3.36Å; E146-E149 PolarHBondContact O-N 3.3Å; E146-E150 PolarHBondContact O-N 3.05Å
147	A	57.4	Low	74.5	Confident	56 Å²	56	94.7 Å²	94.7	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-35.8	176.7	0	0	0	0	0	112.7	E143 E149 E150 E151	E143-A147 WeakPolarHBondContact O-CB 3.38Å; E143-A147 PolarHBondContact O-N 3.38Å; A147-E149 VanDerWaalsContact C-N 3.28Å; A147-E149 PolarHBondContact O-N 3.36Å; A147-E150 PolarHBondContact O-N 3.41Å; A147-E151 PolarHBondContact O-N 2.84Å
148	I	54.5	Low	74.6	Confident	111 Å²	111	93.2 Å²	93.2	57%	0.569	46%	0.462	S	S	*	.	H	α-helix	trans	-68.1	-28.5	174.7	-65.2	159.1	0	0	0	111.2	N144 C145 E146	N144-I148 VanDerWaalsContact O-CD1 3.29Å; N144-I148 WeakPolarHBondContact O-CD1 3.29Å; N144-I148 WeakPolarHBondContact O-CG1 3.45Å; N144-I148 PolarHBondContact O-N 2.75Å; N144-I148 VanDerWaalsContact O-N 3.11Å; C145-I148 PolarHBondContact O-N 2.86Å; E146-I148 VanDerWaalsContact C-N 3.31Å; E146-I148 PolarHBondContact O-N 3.15Å
149	E	54.4	Low	74.6	Confident	159 Å²	159	98.2 Å²	98.2	74%	0.743	49%	0.487	S	S	*	.	H	α-helix	trans	-74.7	-29.9	175.3	-69.5	-173.7	177.4	0	0	113.1	C145 E146 A147 E151	C145-E149 PolarHBondContact O-N 3.29Å; E146-E149 WeakPolarHBondContact O-CB 3.36Å; E146-E149 PolarHBondContact O-N 3.3Å; A147-E149 VanDerWaalsContact C-N 3.28Å; A147-E149 PolarHBondContact O-N 3.36Å; E149-E151 VanDerWaalsContact C-N 3.34Å
150	E	52	Low	74.6	Confident	174 Å²	174	95 Å²	95	81%	0.813	47%	0.473	S	S	*	.	H	α-helix	trans	-81.7	-12.8	178.2	-148.2	168.5	-149.8	0	0	113	E146 A147 V152	E146-E150 PolarHBondContact O-N 3.05Å; A147-E150 PolarHBondContact O-N 3.41Å; E150-V152 PolarHBondContact O-N 3.41Å
151	E	51.5	Low	74.5	Confident	145 Å²	145	95.5 Å²	95.5	68%	0.678	48%	0.48	S	S	*	.	S	Bend	trans	-57.2	102.9	166.7	-79.1	-171	159.9	0	0	109.1	A147 E149 R153	A147-E151 PolarHBondContact O-N 2.84Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E151-R153 PolarHBondContact O-N 3.19Å
152	V	54.2	Low	74.4	Confident	117 Å²	117	98.5 Å²	98.5	71%	0.709	50%	0.496	S	S	*	.			trans	6.3	105.9	166.2	-176.2	0	0	0	0	111.7	E150 V154	E150-V152 PolarHBondContact O-N 3.41Å; V152-V154 HydrophobicContact CB-CG2 4.22Å; V152-V154 HydrophobicContact CG1-CG2 3.91Å; V152-V154 WeakPolarHBondContact O-CG2 2.81Å; V152-V154 PolarHBondContact O-N 3.34Å
153	R	62.9	Low	74.4	Confident	205 Å²	205	102.1 Å²	102.1	77%	0.774	52%	0.52	S	S	*	.			trans	-57.6	91.3	172	-68	-171.3	-174.9	178.3	6.6	109.5	E151 C155 E215	E151-R153 PolarHBondContact O-N 3.19Å; R153-C155 PolarHBondContact O-N 3.07Å; R153-E215 IonicContact CZ-OE1 2.73Å; R153-E215 IonicContact NH1-OE1 2.65Å; R153-E215 PolarHBondContact NH1-OE1 3.17Å
154	V	70.6	Confident	74.7	Confident	97 Å²	97	100.4 Å²	100.4	59%	0.588	52%	0.519	S	S	*	.			trans	-85.1	117.5	-178.4	-178.1	0	0	0	0	107.5	V152 R156	V152-V154 HydrophobicContact CB-CG2 4.22Å; V152-V154 HydrophobicContact CG1-CG2 3.91Å; V152-V154 WeakPolarHBondContact O-CG2 2.81Å; V152-V154 PolarHBondContact O-N 3.34Å; V154-R156 HydrophobicContact CG1-CG 3.9Å; V154-R156 PolarHBondContact O-N 3.4Å
155	C	82.1	Confident	75.3	Confident	54 Å²	54	99.1 Å²	99.1	37%	0.365	51%	0.51	S	S	.	.			trans	-73.8	116.5	163.2	178.2	0	0	0	0	109.2	R153 V210 N214	R153-C155 PolarHBondContact O-N 3.07Å; C155-V210 WeakPolarHBondContact SG-CG1 3.18Å; C155-N214 HydrophobicContact CB-CB 4.07Å; C155-N214 WeakPolarHBondContact SG-CB 2.88Å
156	R	86.5	Confident	76.3	Confident	210 Å²	210	99.3 Å²	99.3	79%	0.792	51%	0.507	S	S	*	.			trans	-105	120.6	175.5	-60.5	180	78.8	109.6	-1.7	109.8	V154	V154-R156 HydrophobicContact CG1-CG 3.9Å; V154-R156 PolarHBondContact O-N 3.4Å
157	V	94.8	Very high	77.5	Confident	41 Å²	41	100.6 Å²	100.6	25%	0.248	51%	0.511	C	S	.	.			trans	-112.4	102.8	173.9	180	0	0	0	0	108	F206 V210 F219 K221	V157-F206 HydrophobicContact CG1-CE1 3.89Å; V157-F206 HydrophobicContact CG1-CZ 4.03Å; V157-V210 HydrophobicContact CG2-CG1 3.72Å; V157-V210 HydrophobicContact CG2-CG2 4.03Å; V157-F219 HydrophobicContact CG1-CB 4.32Å; V157-F219 HydrophobicContact CG2-CB 4.2Å; V157-K221 HydrophobicContact CG1-CD 4.28Å; V157-K221 HydrophobicContact CG1-CG 3.96Å
158	P	94.2	Very high	79	Confident	37 Å²	37	103.5 Å²	103.5	24%	0.24	52%	0.518	C	S	.	.			trans	-61.8	143.4	174.6	24.5	-36.1	0	0	0	112	L169 L218 F219 I220 K221	P158-L169 HydrophobicContact CB-CD1 3.83Å; P158-L169 HydrophobicContact CB-CD2 4.31Å; P158-L169 HydrophobicContact CG-CD1 3.72Å; P158-L169 HydrophobicContact CG-CD2 4.18Å; P158-L218 HydrophobicContact CG-CD1 4.35Å; P158-F219 VanDerWaalsContact CD-O 3.27Å; P158-F219 WeakPolarHBondContact CD-O 3.47Å; P158-I220 HydrophobicContact CG-CG1 4.2Å; P158-K221 PolarHBondContact O-N 3.28Å
159	I	94.6	Very high	80.7	Confident	104 Å²	104	100.2 Å²	100.2	53%	0.533	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.7	170.3	-59.2	171.1	0	0	0	107	K221 I223	I159-K221 CarbonylContact C-O 3.58Å; I159-K221 VanDerWaalsContact CA-O 3.26Å; I159-K221 WeakPolarHBondContact CA-O 3.41Å; I159-K221 HydrophobicContact CG1-CB 4.14Å; I159-I223 HydrophobicContact CG2-CD1 3.68Å; I159-I223 HydrophobicContact CG2-CG1 3.72Å; I159-I223 HydrophobicContact CG2-CG2 4.11Å
160	I	92.9	Very high	82.4	Confident	3 Å²	3	93.3 Å²	93.3	2%	0.015	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.3	178.7	64.3	172.2	0	0	0	111.2	E165 E166 L169 K179 I220 K221 D222 I223	I160-E165 WeakPolarHBondContact CA-OE2 2.94Å; I160-E165 HydrophobicContact CB-CB 4.08Å; I160-E165 HydrophobicContact CG2-CB 3.75Å; I160-E166 HydrophobicContact CD1-CB 3.81Å; I160-L169 HydrophobicContact CG2-CD1 3.59Å; I160-K179 HydrophobicContact CD1-CD 4.16Å; I160-I220 HydrophobicContact CD1-CG2 4.02Å; I160-I220 HydrophobicContact CG1-CG2 4.04Å; I160-I220 HydrophobicContact CG2-CG2 3.99Å; I160-K221 PolarHBondContact N-O 3.46Å; I160-D222 HydrophobicContact CD1-CB 3.97Å; I160-D222 HydrophobicContact CG1-CB 3.77Å; I160-I223 VanDerWaalsContact O-CG1 3.28Å; I160-I223 WeakPolarHBondContact O-CG1 3.38Å; I160-I223 PolarHBondContact O-N 3.08Å
161	C	89.8	Confident	83.9	Confident	74 Å²	74	93.9 Å²	93.9	50%	0.5	47%	0.47	S	S	.	.	S	Bend	trans	-113.8	-9.3	177	-60.1	0	0	0	0	112.2	E165 S224	C161-E165 PolarHBondContact N-OE2 2.71Å; C161-S224 WeakPolarHBondContact O-CA 3.3Å; C161-S224 WeakPolarHBondContact O-CB 3.02Å
162	E	88	Confident	85.4	Confident	116 Å²	116	91.5 Å²	91.5	54%	0.542	47%	0.469	S	S	.	.	S	Bend	trans	-141.3	151.9	176.6	-63.8	-174.8	179.1	0	0	113.6	S164 E165	E162-S164 PolarHBondContact O-N 3.5Å; E162-S164 PolarHBondContact OE2-OG 3.39Å; E162-E165 PolarHBondContact N-OE2 3.05Å; E162-E165 PolarHBondContact O-N 2.01Å
163	P	86.4	Confident	86.8	Confident	88 Å²	88	87.6 Å²	87.6	57%	0.571	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-19.9	177.3	-22.8	33.6	0	0	0	115
164	S	89.1	Confident	87.7	Confident	59 Å²	59	81.5 Å²	81.5	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176.5	52.6	0	0	0	0	111.5	E162 K167 L168	E162-S164 PolarHBondContact O-N 3.5Å; E162-S164 PolarHBondContact OE2-OG 3.39Å; S164-K167 PolarHBondContact O-N 3.48Å; S164-L168 PolarHBondContact O-N 3.23Å
165	E	91	Very high	88.6	Confident	76 Å²	76	82.9 Å²	82.9	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-67.1	-37	179.5	-59.2	178.8	119.2	0	0	111.8	I160 C161 E162 K167 L168 L169	I160-E165 WeakPolarHBondContact CA-OE2 2.94Å; I160-E165 HydrophobicContact CB-CB 4.08Å; I160-E165 HydrophobicContact CG2-CB 3.75Å; C161-E165 PolarHBondContact N-OE2 2.71Å; E162-E165 PolarHBondContact N-OE2 3.05Å; E162-E165 PolarHBondContact O-N 2.01Å; E165-K167 VanDerWaalsContact C-N 3.32Å; E165-K167 PolarHBondContact O-N 2.64Å; E165-L168 PolarHBondContact O-N 3.11Å; E165-L169 WeakPolarHBondContact O-CG 3.25Å; E165-L169 PolarHBondContact O-N 3.13Å
166	E	91.2	Very high	89.3	Confident	35 Å²	35	80.4 Å²	80.4	16%	0.164	41%	0.413	C	S	.	.	H	α-helix	trans	-54.5	-49.9	173.1	-178.4	-171.9	101.4	0	0	110.9	I160 L168 L169 L170 K179 F235	I160-E166 HydrophobicContact CD1-CB 3.81Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.3Å; E166-L169 PolarHBondContact O-N 2.75Å; E166-L170 HydrophobicContact CG-CD1 3.75Å; E166-L170 HydrophobicContact CG-CG 4.27Å; E166-L170 WeakPolarHBondContact O-CB 3.4Å; E166-L170 VanDerWaalsContact O-CG 3.27Å; E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 3.14Å; E166-K179 VanDerWaalsContact OE2-CD 3.27Å; E166-K179 WeakPolarHBondContact OE2-CD 3.39Å; E166-K179 WeakPolarHBondContact OE2-CE 3.26Å; E166-K179 IonicContact OE2-NZ 2.65Å; E166-K179 PolarHBondContact OE2-NZ 2.99Å; E166-F235 HydrophobicContact CG-CZ 4.32Å
167	K	89.3	Confident	89.8	Confident	151 Å²	151	70.4 Å²	70.4	66%	0.657	38%	0.375	S	S	*	.	H	α-helix	trans	-62.6	-38.3	-177.7	-65.6	-179.7	-177.7	177.8	0	111.7	S164 E165 F171	S164-K167 PolarHBondContact O-N 3.48Å; E165-K167 VanDerWaalsContact C-N 3.32Å; E165-K167 PolarHBondContact O-N 2.64Å; K167-F171 VanDerWaalsContact O-CB 3.22Å; K167-F171 WeakPolarHBondContact O-CB 3.21Å; K167-F171 PolarHBondContact O-N 2.88Å
168	L	89.7	Confident	89.9	Confident	118 Å²	118	68.6 Å²	68.6	62%	0.618	36%	0.364	S	S	*	.	H	α-helix	trans	-66.9	-43.5	177.2	-67.2	173.9	0	0	0	111.9	S164 E165 E166 F171 S172	S164-L168 PolarHBondContact O-N 3.23Å; E165-L168 PolarHBondContact O-N 3.11Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.3Å; L168-F171 PolarHBondContact O-N 2.64Å; L168-S172 WeakPolarHBondContact O-CB 3.27Å; L168-S172 PolarHBondContact O-N 3.48Å; L168-S172 PolarHBondContact O-OG 3.07Å
169	L	89.8	Confident	90.1	Very high	41 Å²	41	67.6 Å²	67.6	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-44	175.9	-70.9	173.2	0	0	0	111.6	P158 I160 E165 E166 F171 S172 T173 L218 I220	P158-L169 HydrophobicContact CB-CD1 3.83Å; P158-L169 HydrophobicContact CB-CD2 4.31Å; P158-L169 HydrophobicContact CG-CD1 3.72Å; P158-L169 HydrophobicContact CG-CD2 4.18Å; I160-L169 HydrophobicContact CG2-CD1 3.59Å; E165-L169 WeakPolarHBondContact O-CG 3.25Å; E165-L169 PolarHBondContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 2.75Å; L169-F171 VanDerWaalsContact C-N 3.35Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 2.89Å; L169-S172 VanDerWaalsContact O-OG 3.11Å; L169-T173 VanDerWaalsContact O-CG2 3.26Å; L169-T173 WeakPolarHBondContact O-CG2 3.38Å; L169-T173 PolarHBondContact O-N 3.28Å; L169-L218 HydrophobicContact CB-CD2 4.31Å; L169-I220 HydrophobicContact CB-CD1 4.21Å; L169-I220 HydrophobicContact CD1-CD1 4.08Å; L169-I220 HydrophobicContact CD1-CG1 4.32Å; L169-I220 HydrophobicContact CD1-CG2 4.25Å
170	L	90	Very high	90.2	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-31.4	178.7	-67.4	176	0	0	0	113.1	E166 A177 F235	E166-L170 HydrophobicContact CG-CD1 3.75Å; E166-L170 HydrophobicContact CG-CG 4.27Å; E166-L170 WeakPolarHBondContact O-CB 3.4Å; E166-L170 VanDerWaalsContact O-CG 3.27Å; E166-L170 WeakPolarHBondContact O-CG 3.26Å; E166-L170 PolarHBondContact O-N 3.14Å; L170-A177 HydrophobicContact CD2-CB 3.66Å; L170-F235 HydrophobicContact CD1-CD1 3.39Å; L170-F235 HydrophobicContact CD1-CE1 3.4Å; L170-F235 VanDerWaalsContact CD1-CE1 3.4Å; L170-F235 HydrophobicContact CD1-CG 3.98Å; L170-F235 HydrophobicContact CD1-CZ 3.99Å; L170-F235 HydrophobicContact CD2-CB 3.85Å; L170-F235 HydrophobicContact CD2-CD1 4.02Å; L170-F235 HydrophobicContact CD2-CD2 4.07Å; L170-F235 HydrophobicContact CD2-CG 3.72Å; L170-F235 HydrophobicContact CG-CD1 4.37Å
171	F	84.2	Confident	90.3	Very high	186 Å²	186	62.8 Å²	62.8	82%	0.816	33%	0.331	S	S	*	.	H	α-helix	trans	-74.8	-35.7	176	-178.7	-97.8	0	0	0	112.6	K167 L168 L169	K167-F171 VanDerWaalsContact O-CB 3.22Å; K167-F171 WeakPolarHBondContact O-CB 3.21Å; K167-F171 PolarHBondContact O-N 2.88Å; L168-F171 PolarHBondContact O-N 2.64Å; L169-F171 VanDerWaalsContact C-N 3.35Å
172	S	81.5	Confident	90.5	Very high	94 Å²	94	60.9 Å²	60.9	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-82	-15	-177.4	55.1	0	0	0	0	114.3	L168 L169	L168-S172 WeakPolarHBondContact O-CB 3.27Å; L168-S172 PolarHBondContact O-N 3.48Å; L168-S172 PolarHBondContact O-OG 3.07Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 2.89Å; L169-S172 VanDerWaalsContact O-OG 3.11Å
173	T	83.9	Confident	90.5	Very high	35 Å²	35	57 Å²	57	22%	0.215	30%	0.298	C	S	.	.			trans	-98.9	139.7	179.3	-171.6	0	0	0	0	112.5	L169 R175 L218	L169-T173 VanDerWaalsContact O-CG2 3.26Å; L169-T173 WeakPolarHBondContact O-CG2 3.38Å; L169-T173 PolarHBondContact O-N 3.28Å; T173-R175 WeakPolarHBondContact CG2-O 3.45Å; T173-R175 WeakPolarHBondContact OG1-CB 3.44Å; T173-R175 PolarHBondContact OG1-N 2.91Å; T173-L218 HydrophobicContact CG2-CD2 3.79Å
174	S	82.9	Confident	90.4	Very high	78 Å²	78	57.3 Å²	57.3	55%	0.545	29%	0.288	S	S	.	.	S	Bend	trans	-89.6	-9.8	166.3	60.6	0	0	0	0	113
175	R	89.1	Confident	90	Very high	125 Å²	125	62 Å²	62	47%	0.472	30%	0.304	S	S	.	.	S	Bend	trans	-85.4	148.8	-178.4	-59.3	178	-170.6	171	3	110.3	T173 N214 E215	T173-R175 WeakPolarHBondContact CG2-O 3.45Å; T173-R175 WeakPolarHBondContact OG1-CB 3.44Å; T173-R175 PolarHBondContact OG1-N 2.91Å; R175-N214 PolarHBondContact NH1-O 2.99Å; R175-E215 PolarHBondContact NE-O 3.37Å; R175-E215 PolarHBondContact NH1-O 3Å
176	P	95.6	Very high	89.6	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.019	29%	0.294	C	S	.	.			trans	-61.4	161.5	164.7	31	-36.8	0	0	0	110.9	V217 L218 F235 V274 E278	P176-V217 HydrophobicContact CG-CG2 4.31Å; P176-V217 WeakPolarHBondContact O-CA 3.35Å; P176-L218 PolarHBondContact O-N 3.47Å; P176-F235 WeakPolarHBondContact CA-O 3.36Å; P176-F235 WeakPolarHBondContact CB-O 3.48Å; P176-V274 HydrophobicContact CB-CG1 3.51Å; P176-V274 HydrophobicContact CG-CG1 4.07Å; P176-E278 HydrophobicContact CG-CG 3.92Å
177	A	96.9	Very high	89	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.6	-175.3	0	0	0	0	0	113.6	L170 L218 F235	L170-A177 HydrophobicContact CD2-CB 3.66Å; A177-L218 CarbonylContact C-O 3.35Å; A177-L218 WeakPolarHBondContact CA-O 3.39Å; A177-L218 HydrophobicContact CB-CB 3.96Å; A177-L218 HydrophobicContact CB-CD2 4.4Å; A177-L218 HydrophobicContact CB-CG 4.37Å; A177-L218 WeakPolarHBondContact CB-O 3.42Å; A177-F235 HydrophobicContact CB-CB 4.12Å; A177-F235 HydrophobicContact CB-CD2 4.24Å; A177-F235 PolarHBondContact N-O 2.72Å; A177-F235 PolarHBondContact O-N 3.01Å
178	I	98.4	Very high	88.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.5	173.4	-61.1	178.1	0	0	0	107.8	V217 L218 F219 I220 W232 F234 A271 V274	I178-V217 HydrophobicContact CB-CG1 4.3Å; I178-V217 HydrophobicContact CD1-CG1 3.99Å; I178-V217 HydrophobicContact CG1-CG1 3.77Å; I178-L218 PolarHBondContact N-O 2.92Å; I178-F219 HydrophobicContact CB-CD1 4.02Å; I178-F219 HydrophobicContact CB-CE1 4.01Å; I178-F219 HydrophobicContact CD1-CE1 3.97Å; I178-F219 HydrophobicContact CD1-CZ 4.34Å; I178-F219 HydrophobicContact CG1-CE1 4.45Å; I178-F219 HydrophobicContact CG2-CD1 4.42Å; I178-F219 HydrophobicContact CG2-CE1 4.38Å; I178-F219 CarbonylContact O-C 3.59Å; I178-F219 WeakPolarHBondContact O-CA 3.29Å; I178-I220 PolarHBondContact O-N 3.47Å; I178-W232 HydrophobicContact CG2-CE3 3.72Å; I178-W232 HydrophobicContact CG2-CZ3 3.89Å; I178-F234 HydrophobicContact CD1-CD1 4.25Å; I178-F234 HydrophobicContact CD1-CE1 4.25Å; I178-F234 HydrophobicContact CG1-CD1 3.92Å; I178-F234 HydrophobicContact CG1-CE1 4.28Å; I178-F234 HydrophobicContact CG2-CD1 4.25Å; I178-F234 HydrophobicContact CG2-CE1 4.04Å; I178-A271 HydrophobicContact CD1-CB 3.88Å; I178-V274 HydrophobicContact CD1-CG1 4.49Å; I178-V274 HydrophobicContact CG1-CG1 4.16Å; I178-V274 HydrophobicContact CG1-CG2 4.45Å
179	K	97.2	Very high	88.4	Confident	16 Å²	16	64.5 Å²	64.5	7%	0.07	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.6	177.4	-173.1	-178.1	79.9	154.3	0	109.9	I160 E166 I220 D222 W232 T233 F235	I160-K179 HydrophobicContact CD1-CD 4.16Å; E166-K179 VanDerWaalsContact OE2-CD 3.27Å; E166-K179 WeakPolarHBondContact OE2-CD 3.39Å; E166-K179 WeakPolarHBondContact OE2-CE 3.26Å; E166-K179 IonicContact OE2-NZ 2.65Å; E166-K179 PolarHBondContact OE2-NZ 2.99Å; K179-I220 CarbonylContact C-O 3.53Å; K179-I220 VanDerWaalsContact CA-O 3.29Å; K179-I220 WeakPolarHBondContact CA-O 3.31Å; K179-I220 HydrophobicContact CB-CB 4.19Å; K179-I220 HydrophobicContact CD-CG2 4.49Å; K179-I220 HydrophobicContact CG-CB 4.03Å; K179-I220 HydrophobicContact CG-CG2 4.1Å; K179-D222 HydrophobicContact CD-CB 3.86Å; K179-D222 HydrophobicContact CG-CB 3.97Å; K179-D222 IonicContact NZ-OD2 2.8Å; K179-D222 PolarHBondContact NZ-OD2 3.38Å; K179-W232 CarbonylContact O-C 3.52Å; K179-W232 WeakPolarHBondContact O-CA 3.42Å; K179-T233 PolarHBondContact N-O 3.48Å; K179-T233 PolarHBondContact O-N 3.4Å; K179-F235 HydrophobicContact CB-CE2 3.8Å; K179-F235 HydrophobicContact CD-CE2 4.47Å
180	L	97.8	Very high	88.3	Confident	2 Å²	2	65 Å²	65	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.1	165.9	171.5	64.4	0	0	0	108.7	L182 L203 F206 I220 K221 D222 W232	L180-L182 HydrophobicContact CG-CB 4.36Å; L180-L203 HydrophobicContact CD2-CD1 4.37Å; L180-F206 HydrophobicContact CB-CD2 3.34Å; L180-F206 HydrophobicContact CB-CE2 3.59Å; L180-F206 HydrophobicContact CB-CG 4.02Å; L180-F206 HydrophobicContact CB-CZ 4.46Å; L180-F206 HydrophobicContact CD2-CB 3.65Å; L180-F206 HydrophobicContact CD2-CD2 4.04Å; L180-F206 HydrophobicContact CD2-CG 3.85Å; L180-F206 HydrophobicContact CG-CD2 4.31Å; L180-I220 PolarHBondContact N-O 2.82Å; L180-K221 WeakPolarHBondContact O-CA 3.34Å; L180-D222 PolarHBondContact O-N 2.85Å; L180-W232 HydrophobicContact CD1-CD2 4.12Å; L180-W232 HydrophobicContact CD1-CG 4.29Å; L180-W232 HydrophobicContact CD1-CZ2 4.27Å
181	L	95.4	Very high	88.4	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.6	165.9	-179.1	159.6	0	0	0	108.5	D222 A225 E228 C230 S231	L181-D222 WeakPolarHBondContact CA-O 3.3Å; L181-D222 HydrophobicContact CB-CB 4.12Å; L181-D222 HydrophobicContact CG-CB 4.45Å; L181-A225 HydrophobicContact CD1-CB 3.44Å; L181-A225 VanDerWaalsContact CD1-CB 3.44Å; L181-A225 HydrophobicContact CD2-CB 3.64Å; L181-A225 HydrophobicContact CG-CB 3.61Å; L181-E228 HydrophobicContact CD1-CB 4.14Å; L181-E228 VanDerWaalsContact CD1-OE2 3.3Å; L181-E228 WeakPolarHBondContact CD1-OE2 3.27Å; L181-E228 HydrophobicContact CD2-CB 3.81Å; L181-C230 VanDerWaalsContact O-CA 3.32Å; L181-C230 WeakPolarHBondContact O-CA 3.43Å; L181-S231 PolarHBondContact N-O 3.23Å; L181-S231 PolarHBondContact O-N 3.36Å
182	L	92.2	Very high	88.8	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	102.6	-179.8	-165.2	82.2	0	0	0	110.9	L180 L199 L203 D222 V229 C230	L180-L182 HydrophobicContact CG-CB 4.36Å; L182-L199 HydrophobicContact CD1-CB 4.38Å; L182-L199 HydrophobicContact CD1-CD2 3.43Å; L182-L199 VanDerWaalsContact CD1-CD2 3.43Å; L182-L199 HydrophobicContact CG-CD2 4.35Å; L182-L203 HydrophobicContact CD2-CB 4.37Å; L182-L203 HydrophobicContact CD2-CD1 4.46Å; L182-L203 HydrophobicContact CD2-CD2 4.48Å; L182-D222 PolarHBondContact N-O 3.14Å; L182-D222 VanDerWaalsContact N-O 3.1Å; L182-V229 CarbonylContact C-O 3.52Å; L182-V229 WeakPolarHBondContact CA-O 3.46Å; L182-C230 HydrophobicContact CD1-CB 4.33Å
183	N	88.9	Confident	89.3	Confident	33 Å²	33	59.2 Å²	59.2	18%	0.176	29%	0.29	C	S	.	.			trans	-110	76.8	173.1	-167.7	-14.8	0	0	0	111.1	H185 N186 A225 E228 V229	N183-H185 PolarHBondContact O-N 2.85Å; N183-H185 VanDerWaalsContact O-N 3.12Å; N183-H185 PolarHBondContact OD1-N 3.23Å; N183-N186 HydrophobicContact CB-CB 4.08Å; N183-N186 VanDerWaalsContact CG-CB 3.45Å; N183-N186 PolarHBondContact O-N 2.81Å; N183-N186 PolarHBondContact OD1-N 3.39Å; N183-A225 PolarHBondContact ND2-O 2.97Å; N183-E228 WeakPolarHBondContact CB-O 3.22Å; N183-V229 PolarHBondContact N-O 2.86Å
184	R	83.9	Confident	89.8	Confident	95 Å²	95	60.3 Å²	60.3	36%	0.358	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.6	-177.9	-177.9	169.5	-167.4	-161.3	5.7	114.5	D196 L199	R184-D196 IonicContact CZ-OD1 3.75Å; R184-D196 IonicContact NE-OD1 3.36Å; R184-D196 PolarHBondContact NE-OD1 3.07Å; R184-D196 IonicContact NH2-OD1 3.18Å; R184-D196 PolarHBondContact NH2-OD1 3.38Å; R184-L199 HydrophobicContact CB-CD1 4.36Å; R184-L199 HydrophobicContact CG-CD1 4.02Å
185	H	81.8	Confident	90.3	Very high	159 Å²	159	56.6 Å²	56.6	74%	0.736	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-20	-176.5	-58.1	101.2	0	0	0	112.8	N183 N187	N183-H185 PolarHBondContact O-N 2.85Å; N183-H185 VanDerWaalsContact O-N 3.12Å; N183-H185 PolarHBondContact OD1-N 3.23Å; H185-N187 PolarHBondContact O-N 3.25Å
186	N	82.4	Confident	90.4	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.144	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	122.7	-178	-176.4	15.9	0	0	0	111.4	N183 K188 Y191 A226 N227 E228 V229	N183-N186 HydrophobicContact CB-CB 4.08Å; N183-N186 VanDerWaalsContact CG-CB 3.45Å; N183-N186 PolarHBondContact O-N 2.81Å; N183-N186 PolarHBondContact OD1-N 3.39Å; N186-K188 PolarHBondContact O-N 2.98Å; N186-Y191 VanDerWaalsContact O-CE1 3.25Å; N186-Y191 WeakPolarHBondContact O-CE1 3.32Å; N186-Y191 PolarHBondContact O-OH 3.1Å; N186-A226 PolarHBondContact ND2-O 3.12Å; N186-N227 PolarHBondContact ND2-O 3.44Å; N186-E228 PolarHBondContact ND2-O 2.85Å; N186-V229 HydrophobicContact CB-CG2 4.35Å
187	N	77.8	Confident	90.4	Very high	83 Å²	83	57.3 Å²	57.3	44%	0.444	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	22.5	178.4	-59.9	-50	0	0	0	115.6	H185 Y189 S190 Y191	H185-N187 PolarHBondContact O-N 3.25Å; N187-Y189 VanDerWaalsContact C-N 3.25Å; N187-Y189 PolarHBondContact O-N 3Å; N187-Y189 VanDerWaalsContact O-N 3.09Å; N187-S190 WeakPolarHBondContact O-CA 3.37Å; N187-S190 WeakPolarHBondContact O-CB 3.16Å; N187-S190 PolarHBondContact O-N 3.17Å; N187-Y191 HydrophobicContact CB-CE1 4.07Å; N187-Y191 WeakPolarHBondContact O-CD1 3.47Å; N187-Y191 VanDerWaalsContact O-CE1 3.31Å; N187-Y191 WeakPolarHBondContact O-CE1 3.23Å
188	K	81.3	Confident	90.4	Very high	95 Å²	95	58.4 Å²	58.4	41%	0.413	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-50.7	-40.1	-174.1	-177.7	178	179	-179.7	0	114.2	N186 S190 Y191	N186-K188 PolarHBondContact O-N 2.98Å; K188-S190 PolarHBondContact O-N 3.4Å; K188-Y191 WeakPolarHBondContact O-CB 3.35Å; K188-Y191 PolarHBondContact O-N 3.3Å
189	Y	86.1	Confident	90.2	Very high	226 Å²	226	58.4 Å²	58.4	89%	0.886	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.7	-14	180	-58.6	-68.1	0	0	0	114.2	N187	N187-Y189 VanDerWaalsContact C-N 3.25Å; N187-Y189 PolarHBondContact O-N 3Å; N187-Y189 VanDerWaalsContact O-N 3.09Å
190	S	87.7	Confident	90.1	Very high	51 Å²	51	61.4 Å²	61.4	36%	0.357	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-96	4.5	178.1	-53.8	0	0	0	0	112.1	N187 K188 Q257 T258	N187-S190 WeakPolarHBondContact O-CA 3.37Å; N187-S190 WeakPolarHBondContact O-CB 3.16Å; N187-S190 PolarHBondContact O-N 3.17Å; K188-S190 PolarHBondContact O-N 3.4Å; S190-Q257 CarbonylContact O-C 3.58Å; S190-Q257 WeakPolarHBondContact O-CA 3.48Å; S190-Q257 VanDerWaalsContact O-CB 3.26Å; S190-Q257 WeakPolarHBondContact O-CB 3.43Å; S190-T258 PolarHBondContact O-N 3.09Å
191	Y	91	Very high	90.2	Very high	18 Å²	18	65.7 Å²	65.7	7%	0.071	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-76.4	150.4	-173.9	-74.9	6.7	0	0	0	113.3	N186 N187 K188 L199 V229 T258	N186-Y191 VanDerWaalsContact O-CE1 3.25Å; N186-Y191 WeakPolarHBondContact O-CE1 3.32Å; N186-Y191 PolarHBondContact O-OH 3.1Å; N187-Y191 HydrophobicContact CB-CE1 4.07Å; N187-Y191 WeakPolarHBondContact O-CD1 3.47Å; N187-Y191 VanDerWaalsContact O-CE1 3.31Å; N187-Y191 WeakPolarHBondContact O-CE1 3.23Å; K188-Y191 WeakPolarHBondContact O-CB 3.35Å; K188-Y191 PolarHBondContact O-N 3.3Å; Y191-L199 HydrophobicContact CD2-CD1 4.47Å; Y191-L199 HydrophobicContact CE2-CD1 3.7Å; Y191-V229 HydrophobicContact CE1-CG1 4.39Å; Y191-V229 HydrophobicContact CE1-CG2 4.39Å; Y191-V229 WeakPolarHBondContact OH-CG1 3.27Å; Y191-T258 CarbonylContact C-O 3.59Å; Y191-T258 VanDerWaalsContact CA-O 3.27Å; Y191-T258 WeakPolarHBondContact CA-O 3.49Å; Y191-T258 HydrophobicContact CD1-CG2 4.15Å; Y191-T258 HydrophobicContact CE1-CG2 3.99Å
192	T	92.7	Very high	90.3	Very high	18 Å²	18	65.5 Å²	65.5	11%	0.11	33%	0.325	C	S	.	.			trans	-72.9	152	164	65.3	0	0	0	0	110.2	P194 S195 Q257 T258 K259	T192-P194 VanDerWaalsContact C-CD 3.45Å; T192-S195 PolarHBondContact N-OG 2.94Å; T192-S195 WeakPolarHBondContact O-CB 3.5Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 PolarHBondContact O-OG 3.5Å; T192-S195 PolarHBondContact OG1-OG 2.88Å; T192-Q257 HydrophobicContact CG2-CB 3.85Å; T192-T258 PolarHBondContact N-O 2.87Å; T192-K259 HydrophobicContact CG2-CB 3.88Å; T192-K259 HydrophobicContact CG2-CG 4.32Å
193	T	91.2	Very high	90.5	Very high	138 Å²	138	66.1 Å²	66.1	85%	0.847	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-46.5	-176.7	-45.4	0	0	0	0	115.5	S195	T193-S195 VanDerWaalsContact C-N 3.25Å; T193-S195 PolarHBondContact O-N 3.43Å
194	P	94.9	Very high	90.9	Very high	59 Å²	59	69.3 Å²	69.3	38%	0.383	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.5	-177.8	33.1	-38	0	0	0	114.4	T192 D196 D197 N198	T192-P194 VanDerWaalsContact C-CD 3.45Å; P194-D196 PolarHBondContact O-N 2.76Å; P194-D197 PolarHBondContact O-N 3.07Å; P194-N198 PolarHBondContact O-N 3.44Å; P194-N198 PolarHBondContact O-ND2 2.91Å
195	S	94.1	Very high	91.6	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-37.7	-170.3	-58.5	0	0	0	0	112.7	T192 T193 N198 L199 T258 V260	T192-S195 PolarHBondContact N-OG 2.94Å; T192-S195 WeakPolarHBondContact O-CB 3.5Å; T192-S195 PolarHBondContact O-N 2.89Å; T192-S195 PolarHBondContact O-OG 3.5Å; T192-S195 PolarHBondContact OG1-OG 2.88Å; T193-S195 VanDerWaalsContact C-N 3.25Å; T193-S195 PolarHBondContact O-N 3.43Å; S195-N198 PolarHBondContact O-N 3.45Å; S195-L199 WeakPolarHBondContact O-CG 3.2Å; S195-L199 PolarHBondContact O-N 3.36Å; S195-T258 PolarHBondContact OG-O 3.18Å; S195-V260 PolarHBondContact OG-N 3.19Å; S195-V260 VanDerWaalsContact OG-N 3.13Å
196	D	91.7	Very high	92.4	Very high	47 Å²	47	57.8 Å²	57.8	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-44.3	176.9	-97.3	-58.7	0	0	0	111.7	R184 P194 N198 L199 L200	R184-D196 IonicContact CZ-OD1 3.75Å; R184-D196 IonicContact NE-OD1 3.36Å; R184-D196 PolarHBondContact NE-OD1 3.07Å; R184-D196 IonicContact NH2-OD1 3.18Å; R184-D196 PolarHBondContact NH2-OD1 3.38Å; P194-D196 PolarHBondContact O-N 2.76Å; D196-N198 VanDerWaalsContact C-N 3.33Å; D196-N198 PolarHBondContact O-N 2.85Å; D196-L199 PolarHBondContact O-N 3.11Å; D196-L200 PolarHBondContact O-N 3.44Å
197	D	95.4	Very high	93.1	Very high	96 Å²	96	59.8 Å²	59.8	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.6	-67.9	-20.9	0	0	0	111.4	P194 L199 L200 K201	P194-D197 PolarHBondContact O-N 3.07Å; D197-L199 VanDerWaalsContact C-N 3.35Å; D197-L199 PolarHBondContact O-N 3.19Å; D197-L200 PolarHBondContact O-N 3.23Å; D197-K201 WeakPolarHBondContact O-CG 3.48Å; D197-K201 PolarHBondContact O-N 3.39Å
198	N	97.1	Very high	94.1	Very high	23 Å²	23	61.5 Å²	61.5	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-33	178.4	-71.1	-23.3	0	0	0	112.4	P194 S195 D196 L200 K201 N202 V260 F262	P194-N198 PolarHBondContact O-N 3.44Å; P194-N198 PolarHBondContact O-ND2 2.91Å; S195-N198 PolarHBondContact O-N 3.45Å; D196-N198 VanDerWaalsContact C-N 3.33Å; D196-N198 PolarHBondContact O-N 2.85Å; N198-L200 VanDerWaalsContact C-N 3.34Å; N198-K201 PolarHBondContact O-N 3.5Å; N198-N202 PolarHBondContact O-N 3.25Å; N198-N202 PolarHBondContact O-ND2 3.41Å; N198-V260 HydrophobicContact CB-CB 4.49Å; N198-V260 HydrophobicContact CB-CG1 4.2Å; N198-V260 PolarHBondContact ND2-O 2.91Å; N198-F262 HydrophobicContact CB-CB 4.19Å
199	L	94.1	Very high	94.8	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-43.4	170.8	-73	167.8	0	0	0	111.1	L182 R184 Y191 S195 D196 D197 N202 L203 V229 C230 V260	L182-L199 HydrophobicContact CD1-CB 4.38Å; L182-L199 HydrophobicContact CD1-CD2 3.43Å; L182-L199 VanDerWaalsContact CD1-CD2 3.43Å; L182-L199 HydrophobicContact CG-CD2 4.35Å; R184-L199 HydrophobicContact CB-CD1 4.36Å; R184-L199 HydrophobicContact CG-CD1 4.02Å; Y191-L199 HydrophobicContact CD2-CD1 4.47Å; Y191-L199 HydrophobicContact CE2-CD1 3.7Å; S195-L199 WeakPolarHBondContact O-CG 3.2Å; S195-L199 PolarHBondContact O-N 3.36Å; D196-L199 PolarHBondContact O-N 3.11Å; D197-L199 VanDerWaalsContact C-N 3.35Å; D197-L199 PolarHBondContact O-N 3.19Å; L199-N202 PolarHBondContact O-N 3.3Å; L199-L203 PolarHBondContact O-N 2.91Å; L199-V229 HydrophobicContact CD2-CG1 4.18Å; L199-C230 HydrophobicContact CD2-CB 3.89Å; L199-V260 HydrophobicContact CD1-CG2 4.48Å; L199-V260 HydrophobicContact CD2-CG1 3.85Å; L199-V260 HydrophobicContact CD2-CG2 4.17Å; L199-V260 HydrophobicContact CG-CB 4.36Å; L199-V260 HydrophobicContact CG-CG1 3.97Å; L199-V260 HydrophobicContact CG-CG2 4.19Å
200	L	95.3	Very high	95.3	Very high	79 Å²	79	47 Å²	47	41%	0.414	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-41	176.9	-65.9	177.8	0	0	0	112	D196 D197 N198 N202 L203 E204	D196-L200 PolarHBondContact O-N 3.44Å; D197-L200 PolarHBondContact O-N 3.23Å; N198-L200 VanDerWaalsContact C-N 3.34Å; L200-N202 PolarHBondContact O-N 2.94Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-E204 WeakPolarHBondContact O-CB 3.4Å; L200-E204 PolarHBondContact O-N 3.36Å
201	K	98.2	Very high	95.5	Very high	93 Å²	93	50.1 Å²	50.1	40%	0.404	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.8	-71.8	175	-176.8	176.7	0	112.7	D197 N198 E204 L205 F262	D197-K201 WeakPolarHBondContact O-CG 3.48Å; D197-K201 PolarHBondContact O-N 3.39Å; N198-K201 PolarHBondContact O-N 3.5Å; K201-E204 PolarHBondContact O-N 3.24Å; K201-L205 WeakPolarHBondContact O-CB 3.47Å; K201-L205 PolarHBondContact O-N 3.29Å; K201-F262 HydrophobicContact CB-CB 4.34Å; K201-F262 HydrophobicContact CB-CD1 3.73Å; K201-F262 HydrophobicContact CB-CD2 3.84Å; K201-F262 HydrophobicContact CB-CE1 3.88Å; K201-F262 HydrophobicContact CB-CE2 4.01Å; K201-F262 HydrophobicContact CB-CG 3.69Å; K201-F262 HydrophobicContact CB-CZ 4.02Å; K201-F262 HydrophobicContact CD-CD1 3.75Å; K201-F262 HydrophobicContact CD-CE1 4.21Å; K201-F262 HydrophobicContact CD-CG 4.27Å; K201-F262 HydrophobicContact CG-CD1 4.3Å; K201-F262 HydrophobicContact CG-CE1 4.45Å; K201-F262 WeakPolarHBondContact O-CE2 3.36Å
202	N	97.7	Very high	95.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-45.9	173.2	-82.3	-78.1	0	0	0	111.1	N198 L199 L200 L205 F206 W232 C246 E261 F262 I267	N198-N202 PolarHBondContact O-N 3.25Å; N198-N202 PolarHBondContact O-ND2 3.41Å; L199-N202 PolarHBondContact O-N 3.3Å; L200-N202 PolarHBondContact O-N 2.94Å; N202-L205 PolarHBondContact O-N 2.9Å; N202-F206 PolarHBondContact O-N 2.91Å; N202-W232 VanDerWaalsContact O-CZ2 3.29Å; N202-W232 WeakPolarHBondContact O-CZ2 3.29Å; N202-W232 PolarHBondContact OD1-NE1 3.16Å; N202-C246 PolarHBondContact OD1-SG 2.89Å; N202-E261 PolarHBondContact ND2-O 3Å; N202-F262 HydrophobicContact CB-CD2 4.48Å; N202-I267 WeakPolarHBondContact OD1-CD1 3.34Å
203	L	97	Very high	95.6	Very high	48 Å²	48	57.2 Å²	57.2	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-43.4	177.8	-178.4	62.7	0	0	0	112.2	L180 L182 L199 L200 L205 F206 D207	L180-L203 HydrophobicContact CD2-CD1 4.37Å; L182-L203 HydrophobicContact CD2-CB 4.37Å; L182-L203 HydrophobicContact CD2-CD1 4.46Å; L182-L203 HydrophobicContact CD2-CD2 4.48Å; L199-L203 PolarHBondContact O-N 2.91Å; L200-L203 PolarHBondContact O-N 3.3Å; L203-L205 PolarHBondContact O-N 2.88Å; L203-F206 WeakPolarHBondContact O-CB 3.38Å; L203-F206 PolarHBondContact O-N 2.89Å; L203-D207 PolarHBondContact O-N 2.73Å
204	E	98.2	Very high	95.5	Very high	100 Å²	100	52.9 Å²	52.9	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-43	177.5	-170.5	-168.7	156.5	0	0	111.5	L200 K201 F206 D207 K208	L200-E204 WeakPolarHBondContact O-CB 3.4Å; L200-E204 PolarHBondContact O-N 3.36Å; K201-E204 PolarHBondContact O-N 3.24Å; E204-F206 VanDerWaalsContact C-N 3.31Å; E204-F206 PolarHBondContact O-N 3.08Å; E204-D207 PolarHBondContact O-N 3.39Å; E204-K208 WeakPolarHBondContact O-CG 3.12Å; E204-K208 PolarHBondContact O-N 2.9Å; E204-K208 WeakPolarHBondContact OE1-CE 3.36Å; E204-K208 IonicContact OE1-NZ 2.67Å; E204-K208 PolarHBondContact OE1-NZ 3.2Å
205	L	98.6	Very high	95	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-39.8	174.9	-179.8	59.8	0	0	0	111.5	K201 N202 L203 K208 L209 W232 F262 E264 I267	K201-L205 WeakPolarHBondContact O-CB 3.47Å; K201-L205 PolarHBondContact O-N 3.29Å; N202-L205 PolarHBondContact O-N 2.9Å; L203-L205 PolarHBondContact O-N 2.88Å; L205-K208 PolarHBondContact O-N 2.91Å; L205-L209 HydrophobicContact CD1-CG 4.36Å; L205-L209 HydrophobicContact CG-CD1 4.34Å; L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.14Å; L205-W232 HydrophobicContact CB-CH2 4.41Å; L205-W232 HydrophobicContact CB-CZ2 4.39Å; L205-W232 HydrophobicContact CD2-CH2 4.47Å; L205-W232 HydrophobicContact CD2-CZ2 4.36Å; L205-W232 HydrophobicContact CG-CH2 4.19Å; L205-W232 HydrophobicContact CG-CZ2 4.41Å; L205-F262 HydrophobicContact CB-CE2 3.96Å; L205-F262 HydrophobicContact CB-CZ 4.18Å; L205-F262 HydrophobicContact CD2-CE2 3.71Å; L205-F262 HydrophobicContact CD2-CZ 4.01Å; L205-F262 HydrophobicContact CG-CE2 4.49Å; L205-E264 HydrophobicContact CD2-CG 4.27Å; L205-I267 HydrophobicContact CD2-CB 3.94Å; L205-I267 HydrophobicContact CD2-CD1 4.2Å; L205-I267 HydrophobicContact CD2-CG2 3.59Å; L205-I267 HydrophobicContact CG-CG2 4.46Å
206	F	98.4	Very high	94.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-49.4	176.1	-178.5	-87.3	0	0	0	111.1	V157 L180 N202 L203 E204 K208 L209 V210 F219 I220 K221 W232	V157-F206 HydrophobicContact CG1-CE1 3.89Å; V157-F206 HydrophobicContact CG1-CZ 4.03Å; L180-F206 HydrophobicContact CB-CD2 3.34Å; L180-F206 HydrophobicContact CB-CE2 3.59Å; L180-F206 HydrophobicContact CB-CG 4.02Å; L180-F206 HydrophobicContact CB-CZ 4.46Å; L180-F206 HydrophobicContact CD2-CB 3.65Å; L180-F206 HydrophobicContact CD2-CD2 4.04Å; L180-F206 HydrophobicContact CD2-CG 3.85Å; L180-F206 HydrophobicContact CG-CD2 4.31Å; N202-F206 PolarHBondContact O-N 2.91Å; L203-F206 WeakPolarHBondContact O-CB 3.38Å; L203-F206 PolarHBondContact O-N 2.89Å; E204-F206 VanDerWaalsContact C-N 3.31Å; E204-F206 PolarHBondContact O-N 3.08Å; F206-K208 VanDerWaalsContact C-N 3.3Å; F206-K208 PolarHBondContact O-N 2.91Å; F206-L209 PolarHBondContact O-N 3.02Å; F206-L209 VanDerWaalsContact O-N 3.14Å; F206-V210 HydrophobicContact CD1-CG2 3.72Å; F206-V210 HydrophobicContact CE1-CG2 3.45Å; F206-V210 VanDerWaalsContact CE1-CG2 3.45Å; F206-V210 HydrophobicContact CG-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 4.08Å; F206-V210 VanDerWaalsContact O-CG2 3.23Å; F206-V210 WeakPolarHBondContact O-CG2 3.41Å; F206-V210 PolarHBondContact O-N 3.36Å; F206-F219 HydrophobicContact CD2-CD1 4.36Å; F206-F219 HydrophobicContact CE1-CB 4.28Å; F206-F219 HydrophobicContact CE2-CB 4.31Å; F206-F219 AromaticContact CE2-CD1 3.87Å; F206-F219 HydrophobicContact CE2-CD1 3.87Å; F206-F219 HydrophobicContact CZ-CB 3.7Å; F206-F219 HydrophobicContact CZ-CD1 4.01Å; F206-F219 HydrophobicContact CZ-CG 4.33Å; F206-I220 WeakPolarHBondContact CZ-O 3.35Å; F206-K221 VanDerWaalsContact CD1-CE 3.45Å; F206-K221 HydrophobicContact CD1-CG 4.46Å; F206-K221 HydrophobicContact CE1-CD 4.16Å; F206-K221 HydrophobicContact CE1-CG 3.74Å; F206-K221 HydrophobicContact CZ-CG 3.89Å; F206-W232 VanDerWaalsContact CA-CH2 3.47Å; F206-W232 HydrophobicContact CB-CH2 3.54Å; F206-W232 HydrophobicContact CB-CZ2 4.13Å; F206-W232 HydrophobicContact CB-CZ3 4.18Å; F206-W232 HydrophobicContact CD2-CE3 4.44Å; F206-W232 AromaticContact CD2-CH2 4Å; F206-W232 HydrophobicContact CD2-CH2 4Å; F206-W232 AromaticContact CD2-CZ3 3.74Å; F206-W232 HydrophobicContact CD2-CZ3 3.74Å; F206-W232 HydrophobicContact CG-CH2 4.28Å; F206-W232 HydrophobicContact CG-CZ3 4.45Å
207	D	97	Very high	94.9	Very high	68 Å²	68	58.1 Å²	58.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-36.2	179	-66.7	-20.6	0	0	0	111.3	L203 E204 V210 V211 K221	L203-D207 PolarHBondContact O-N 2.73Å; E204-D207 PolarHBondContact O-N 3.39Å; D207-V210 WeakPolarHBondContact O-CB 3.28Å; D207-V210 PolarHBondContact O-N 2.65Å; D207-V211 WeakPolarHBondContact O-CG2 2.89Å; D207-V211 PolarHBondContact O-N 3Å; D207-K221 IonicContact OD1-NZ 2.75Å; D207-K221 PolarHBondContact OD1-NZ 2.95Å
208	K	97.5	Very high	94.9	Very high	119 Å²	119	55 Å²	55	52%	0.517	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-44.4	171.5	-76.3	173.6	-176.6	166.4	0	112.5	E204 L205 F206 V211 R212	E204-K208 WeakPolarHBondContact O-CG 3.12Å; E204-K208 PolarHBondContact O-N 2.9Å; E204-K208 WeakPolarHBondContact OE1-CE 3.36Å; E204-K208 IonicContact OE1-NZ 2.67Å; E204-K208 PolarHBondContact OE1-NZ 3.2Å; L205-K208 PolarHBondContact O-N 2.91Å; F206-K208 VanDerWaalsContact C-N 3.3Å; F206-K208 PolarHBondContact O-N 2.91Å; K208-V211 PolarHBondContact O-N 2.57Å; K208-R212 WeakPolarHBondContact O-CB 3.21Å; K208-R212 PolarHBondContact O-N 2.86Å; K208-R212 VanDerWaalsContact O-N 3.08Å
209	L	97.7	Very high	94.9	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-40	177.9	-69.8	174.7	0	0	0	111.6	L205 F206 R212 F213 F219 W232 A271	L205-L209 HydrophobicContact CD1-CG 4.36Å; L205-L209 HydrophobicContact CG-CD1 4.34Å; L205-L209 WeakPolarHBondContact O-CG 3.27Å; L205-L209 PolarHBondContact O-N 3.14Å; F206-L209 PolarHBondContact O-N 3.02Å; F206-L209 VanDerWaalsContact O-N 3.14Å; L209-R212 PolarHBondContact O-N 3.1Å; L209-F213 HydrophobicContact CD2-CD2 4.03Å; L209-F213 HydrophobicContact CD2-CE2 3.84Å; L209-F213 WeakPolarHBondContact O-CD2 3.12Å; L209-F213 PolarHBondContact O-N 2.82Å; L209-F219 VanDerWaalsContact C-CZ 3.42Å; L209-F219 HydrophobicContact CB-CE1 3.69Å; L209-F219 HydrophobicContact CB-CZ 3.92Å; L209-F219 VanDerWaalsContact O-CZ 3.27Å; L209-F219 WeakPolarHBondContact O-CZ 3.46Å; L209-W232 HydrophobicContact CD1-CH2 4.09Å; L209-W232 HydrophobicContact CD1-CZ3 3.88Å; L209-A271 HydrophobicContact CD1-CB 3.9Å; L209-A271 HydrophobicContact CD2-CB 4.27Å
210	V	96.2	Very high	95.1	Very high	12 Å²	12	54 Å²	54	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-54.6	173.4	170.3	0	0	0	0	110.1	C155 V157 F206 D207 R212 F213 N214 F219	C155-V210 WeakPolarHBondContact SG-CG1 3.18Å; V157-V210 HydrophobicContact CG2-CG1 3.72Å; V157-V210 HydrophobicContact CG2-CG2 4.03Å; F206-V210 HydrophobicContact CD1-CG2 3.72Å; F206-V210 HydrophobicContact CE1-CG2 3.45Å; F206-V210 VanDerWaalsContact CE1-CG2 3.45Å; F206-V210 HydrophobicContact CG-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 4.08Å; F206-V210 VanDerWaalsContact O-CG2 3.23Å; F206-V210 WeakPolarHBondContact O-CG2 3.41Å; F206-V210 PolarHBondContact O-N 3.36Å; D207-V210 WeakPolarHBondContact O-CB 3.28Å; D207-V210 PolarHBondContact O-N 2.65Å; V210-R212 PolarHBondContact O-N 3.3Å; V210-F213 PolarHBondContact O-N 3.29Å; V210-N214 WeakPolarHBondContact O-CA 3.43Å; V210-N214 WeakPolarHBondContact O-CB 3.46Å; V210-N214 PolarHBondContact O-N 2.91Å; V210-N214 PolarHBondContact O-ND2 2.65Å; V210-N214 VanDerWaalsContact O-ND2 3.09Å; V210-F219 HydrophobicContact CB-CD2 4.34Å; V210-F219 HydrophobicContact CB-CG 4.32Å; V210-F219 HydrophobicContact CG2-CB 3.64Å; V210-F219 HydrophobicContact CG2-CD1 3.58Å; V210-F219 HydrophobicContact CG2-CD2 3.93Å; V210-F219 HydrophobicContact CG2-CE1 4.19Å; V210-F219 HydrophobicContact CG2-CE2 4.49Å; V210-F219 HydrophobicContact CG2-CG 3.43Å; V210-F219 VanDerWaalsContact CG2-CG 3.43Å
211	V	90.7	Very high	95.1	Very high	116 Å²	116	52.8 Å²	52.8	70%	0.703	25%	0.245	S	C	*	.	H	α-helix	trans	-57.3	-40.6	179.2	170.9	0	0	0	0	111	D207 K208 N214	D207-V211 WeakPolarHBondContact O-CG2 2.89Å; D207-V211 PolarHBondContact O-N 3Å; K208-V211 PolarHBondContact O-N 2.57Å; V211-N214 PolarHBondContact O-ND2 2.86Å; V211-N214 VanDerWaalsContact O-ND2 3.17Å
212	R	92.6	Very high	94.9	Very high	170 Å²	170	48.6 Å²	48.6	64%	0.642	23%	0.227	S	C	*	.	H	α-helix	trans	-76	-31	-174.6	-174.7	62.7	-177.3	90	-4.8	114.6	K208 L209 V210	K208-R212 WeakPolarHBondContact O-CB 3.21Å; K208-R212 PolarHBondContact O-N 2.86Å; K208-R212 VanDerWaalsContact O-N 3.08Å; L209-R212 PolarHBondContact O-N 3.1Å; V210-R212 PolarHBondContact O-N 3.3Å
213	F	94.1	Very high	94.5	Very high	16 Å²	16	53.1 Å²	53.1	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-133.2	8.7	-166.1	-58.6	-70.6	0	0	0	115.3	L209 V210 E215 R216 V217 F219 M272 L275	L209-F213 HydrophobicContact CD2-CD2 4.03Å; L209-F213 HydrophobicContact CD2-CE2 3.84Å; L209-F213 WeakPolarHBondContact O-CD2 3.12Å; L209-F213 PolarHBondContact O-N 2.82Å; V210-F213 PolarHBondContact O-N 3.29Å; F213-E215 PolarHBondContact O-N 3.38Å; F213-E215 VanDerWaalsContact O-N 3.1Å; F213-R216 PolarHBondContact O-N 3.02Å; F213-V217 HydrophobicContact CB-CB 4.4Å; F213-V217 HydrophobicContact CB-CG2 4.14Å; F213-V217 PolarHBondContact O-N 2.82Å; F213-F219 HydrophobicContact CB-CE2 4.08Å; F213-F219 HydrophobicContact CB-CZ 4.06Å; F213-M272 HydrophobicContact CD2-CE 4.48Å; F213-M272 HydrophobicContact CE1-CE 4.46Å; F213-M272 HydrophobicContact CE2-CE 3.48Å; F213-M272 VanDerWaalsContact CE2-CE 3.48Å; F213-M272 HydrophobicContact CZ-CE 3.47Å; F213-M272 VanDerWaalsContact CZ-CE 3.47Å; F213-M272 HydrophobicContact CZ-SD 4.16Å; F213-L275 HydrophobicContact CD1-CD1 4.29Å; F213-L275 HydrophobicContact CD1-CD2 4.15Å; F213-L275 HydrophobicContact CE1-CD1 3.83Å; F213-L275 HydrophobicContact CZ-CD1 4.26Å
214	N	88.5	Confident	93.6	Very high	46 Å²	46	52.7 Å²	52.7	25%	0.246	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.3	-176.7	61.5	85.1	0	0	0	115.5	C155 R175 V210 V211 R216	C155-N214 HydrophobicContact CB-CB 4.07Å; C155-N214 WeakPolarHBondContact SG-CB 2.88Å; R175-N214 PolarHBondContact NH1-O 2.99Å; V210-N214 WeakPolarHBondContact O-CA 3.43Å; V210-N214 WeakPolarHBondContact O-CB 3.46Å; V210-N214 PolarHBondContact O-N 2.91Å; V210-N214 PolarHBondContact O-ND2 2.65Å; V210-N214 VanDerWaalsContact O-ND2 3.09Å; V211-N214 PolarHBondContact O-ND2 2.86Å; V211-N214 VanDerWaalsContact O-ND2 3.17Å; N214-R216 VanDerWaalsContact C-N 3.26Å; N214-R216 PolarHBondContact O-N 2.8Å
215	E	85.2	Confident	92.1	Very high	111 Å²	111	48.5 Å²	48.5	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.1	177.6	-63.2	-176.2	166.2	0	0	112.1	R153 R175 F213	R153-E215 IonicContact CZ-OE1 2.73Å; R153-E215 IonicContact NH1-OE1 2.65Å; R153-E215 PolarHBondContact NH1-OE1 3.17Å; R175-E215 PolarHBondContact NE-O 3.37Å; R175-E215 PolarHBondContact NH1-O 3Å; F213-E215 PolarHBondContact O-N 3.38Å; F213-E215 VanDerWaalsContact O-N 3.1Å
216	R	89.9	Confident	90.6	Very high	103 Å²	103	51.5 Å²	51.5	39%	0.389	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-28.4	-170.5	-64.8	172.6	66.7	-152.5	-0.3	113.5	F213 N214 E278	F213-R216 PolarHBondContact O-N 3.02Å; N214-R216 VanDerWaalsContact C-N 3.26Å; N214-R216 PolarHBondContact O-N 2.8Å; R216-E278 IonicContact CZ-OE1 3.36Å; R216-E278 IonicContact CZ-OE2 3.76Å; R216-E278 VanDerWaalsContact NE-CD 3.27Å; R216-E278 IonicContact NE-OE1 2.85Å; R216-E278 PolarHBondContact NE-OE1 2.96Å; R216-E278 IonicContact NE-OE2 2.9Å; R216-E278 PolarHBondContact NE-OE2 3.5Å; R216-E278 IonicContact NH1-OE1 3.76Å; R216-E278 IonicContact NH2-OE1 3.21Å; R216-E278 PolarHBondContact NH2-OE1 3.42Å; R216-E278 IonicContact NH2-OE2 2.94Å; R216-E278 PolarHBondContact NH2-OE2 3.38Å
217	V	94	Very high	89.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.012	30%	0.298	C	S	.	.	S	Bend	trans	-127.3	135	-172.8	-179.4	0	0	0	0	109.5	P176 I178 F213 F219 L275	P176-V217 HydrophobicContact CG-CG2 4.31Å; P176-V217 WeakPolarHBondContact O-CA 3.35Å; I178-V217 HydrophobicContact CB-CG1 4.3Å; I178-V217 HydrophobicContact CD1-CG1 3.99Å; I178-V217 HydrophobicContact CG1-CG1 3.77Å; F213-V217 HydrophobicContact CB-CB 4.4Å; F213-V217 HydrophobicContact CB-CG2 4.14Å; F213-V217 PolarHBondContact O-N 2.82Å; V217-F219 HydrophobicContact CB-CD2 4.34Å; V217-F219 HydrophobicContact CB-CE2 3.7Å; V217-F219 HydrophobicContact CB-CZ 4.05Å; V217-F219 HydrophobicContact CG1-CD2 4.31Å; V217-F219 HydrophobicContact CG1-CE1 4.42Å; V217-F219 HydrophobicContact CG1-CE2 3.91Å; V217-F219 HydrophobicContact CG1-CZ 3.96Å; V217-F219 VanDerWaalsContact O-CD2 3.32Å; V217-F219 WeakPolarHBondContact O-CD2 3.36Å; V217-L275 HydrophobicContact CG2-CD2 3.54Å
218	L	95.1	Very high	89.2	Confident	32 Å²	32	60.3 Å²	60.3	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.2	169.1	175.6	64.5	0	0	0	109.6	P158 L169 T173 P176 A177 I178 I220	P158-L218 HydrophobicContact CG-CD1 4.35Å; L169-L218 HydrophobicContact CB-CD2 4.31Å; T173-L218 HydrophobicContact CG2-CD2 3.79Å; P176-L218 PolarHBondContact O-N 3.47Å; A177-L218 CarbonylContact C-O 3.35Å; A177-L218 WeakPolarHBondContact CA-O 3.39Å; A177-L218 HydrophobicContact CB-CB 3.96Å; A177-L218 HydrophobicContact CB-CD2 4.4Å; A177-L218 HydrophobicContact CB-CG 4.37Å; A177-L218 WeakPolarHBondContact CB-O 3.42Å; I178-L218 PolarHBondContact N-O 2.92Å; L218-I220 HydrophobicContact CD2-CD1 4.1Å; L218-I220 HydrophobicContact CD2-CG1 4.28Å; L218-I220 HydrophobicContact CG-CD1 4.4Å; L218-I220 HydrophobicContact CG-CG1 4.08Å
219	F	97.7	Very high	88.9	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.1	176.9	-72.4	-87.9	0	0	0	110.6	V157 P158 I178 F206 L209 V210 F213 V217	V157-F219 HydrophobicContact CG1-CB 4.32Å; V157-F219 HydrophobicContact CG2-CB 4.2Å; P158-F219 VanDerWaalsContact CD-O 3.27Å; P158-F219 WeakPolarHBondContact CD-O 3.47Å; I178-F219 HydrophobicContact CB-CD1 4.02Å; I178-F219 HydrophobicContact CB-CE1 4.01Å; I178-F219 HydrophobicContact CD1-CE1 3.97Å; I178-F219 HydrophobicContact CD1-CZ 4.34Å; I178-F219 HydrophobicContact CG1-CE1 4.45Å; I178-F219 HydrophobicContact CG2-CD1 4.42Å; I178-F219 HydrophobicContact CG2-CE1 4.38Å; I178-F219 CarbonylContact O-C 3.59Å; I178-F219 WeakPolarHBondContact O-CA 3.29Å; F206-F219 HydrophobicContact CD2-CD1 4.36Å; F206-F219 HydrophobicContact CE1-CB 4.28Å; F206-F219 HydrophobicContact CE2-CB 4.31Å; F206-F219 AromaticContact CE2-CD1 3.87Å; F206-F219 HydrophobicContact CE2-CD1 3.87Å; F206-F219 HydrophobicContact CZ-CB 3.7Å; F206-F219 HydrophobicContact CZ-CD1 4.01Å; F206-F219 HydrophobicContact CZ-CG 4.33Å; L209-F219 VanDerWaalsContact C-CZ 3.42Å; L209-F219 HydrophobicContact CB-CE1 3.69Å; L209-F219 HydrophobicContact CB-CZ 3.92Å; L209-F219 VanDerWaalsContact O-CZ 3.27Å; L209-F219 WeakPolarHBondContact O-CZ 3.46Å; V210-F219 HydrophobicContact CB-CD2 4.34Å; V210-F219 HydrophobicContact CB-CG 4.32Å; V210-F219 HydrophobicContact CG2-CB 3.64Å; V210-F219 HydrophobicContact CG2-CD1 3.58Å; V210-F219 HydrophobicContact CG2-CD2 3.93Å; V210-F219 HydrophobicContact CG2-CE1 4.19Å; V210-F219 HydrophobicContact CG2-CE2 4.49Å; V210-F219 HydrophobicContact CG2-CG 3.43Å; V210-F219 VanDerWaalsContact CG2-CG 3.43Å; F213-F219 HydrophobicContact CB-CE2 4.08Å; F213-F219 HydrophobicContact CB-CZ 4.06Å; V217-F219 HydrophobicContact CB-CD2 4.34Å; V217-F219 HydrophobicContact CB-CE2 3.7Å; V217-F219 HydrophobicContact CB-CZ 4.05Å; V217-F219 HydrophobicContact CG1-CD2 4.31Å; V217-F219 HydrophobicContact CG1-CE1 4.42Å; V217-F219 HydrophobicContact CG1-CE2 3.91Å; V217-F219 HydrophobicContact CG1-CZ 3.96Å; V217-F219 VanDerWaalsContact O-CD2 3.32Å; V217-F219 WeakPolarHBondContact O-CD2 3.36Å
220	I	96.7	Very high	88.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.9	-176.3	-52.7	174.1	0	0	0	109.1	P158 I160 L169 I178 K179 L180 F206 L218	P158-I220 HydrophobicContact CG-CG1 4.2Å; I160-I220 HydrophobicContact CD1-CG2 4.02Å; I160-I220 HydrophobicContact CG1-CG2 4.04Å; I160-I220 HydrophobicContact CG2-CG2 3.99Å; L169-I220 HydrophobicContact CB-CD1 4.21Å; L169-I220 HydrophobicContact CD1-CD1 4.08Å; L169-I220 HydrophobicContact CD1-CG1 4.32Å; L169-I220 HydrophobicContact CD1-CG2 4.25Å; I178-I220 PolarHBondContact O-N 3.47Å; K179-I220 CarbonylContact C-O 3.53Å; K179-I220 VanDerWaalsContact CA-O 3.29Å; K179-I220 WeakPolarHBondContact CA-O 3.31Å; K179-I220 HydrophobicContact CB-CB 4.19Å; K179-I220 HydrophobicContact CD-CG2 4.49Å; K179-I220 HydrophobicContact CG-CB 4.03Å; K179-I220 HydrophobicContact CG-CG2 4.1Å; L180-I220 PolarHBondContact N-O 2.82Å; F206-I220 WeakPolarHBondContact CZ-O 3.35Å; L218-I220 HydrophobicContact CD2-CD1 4.1Å; L218-I220 HydrophobicContact CD2-CG1 4.28Å; L218-I220 HydrophobicContact CG-CD1 4.4Å; L218-I220 HydrophobicContact CG-CG1 4.08Å
221	K	96.1	Very high	88.8	Confident	52 Å²	52	54.2 Å²	54.2	23%	0.226	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.3	169	-73	-177.2	179.8	-179.6	0	108.7	V157 P158 I159 I160 L180 F206 D207	V157-K221 HydrophobicContact CG1-CD 4.28Å; V157-K221 HydrophobicContact CG1-CG 3.96Å; P158-K221 PolarHBondContact O-N 3.28Å; I159-K221 CarbonylContact C-O 3.58Å; I159-K221 VanDerWaalsContact CA-O 3.26Å; I159-K221 WeakPolarHBondContact CA-O 3.41Å; I159-K221 HydrophobicContact CG1-CB 4.14Å; I160-K221 PolarHBondContact N-O 3.46Å; L180-K221 WeakPolarHBondContact O-CA 3.34Å; F206-K221 VanDerWaalsContact CD1-CE 3.45Å; F206-K221 HydrophobicContact CD1-CG 4.46Å; F206-K221 HydrophobicContact CE1-CD 4.16Å; F206-K221 HydrophobicContact CE1-CG 3.74Å; F206-K221 HydrophobicContact CZ-CG 3.89Å; D207-K221 IonicContact OD1-NZ 2.75Å; D207-K221 PolarHBondContact OD1-NZ 2.95Å
222	D	93.9	Very high	89.1	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.6	-180	-174.7	-9	0	0	0	110.1	I160 K179 L180 L181 L182 S224	I160-D222 HydrophobicContact CD1-CB 3.97Å; I160-D222 HydrophobicContact CG1-CB 3.77Å; K179-D222 HydrophobicContact CD-CB 3.86Å; K179-D222 HydrophobicContact CG-CB 3.97Å; K179-D222 IonicContact NZ-OD2 2.8Å; K179-D222 PolarHBondContact NZ-OD2 3.38Å; L180-D222 PolarHBondContact O-N 2.85Å; L181-D222 WeakPolarHBondContact CA-O 3.3Å; L181-D222 HydrophobicContact CB-CB 4.12Å; L181-D222 HydrophobicContact CG-CB 4.45Å; L182-D222 PolarHBondContact N-O 3.14Å; L182-D222 VanDerWaalsContact N-O 3.1Å; D222-S224 WeakPolarHBondContact OD1-CB 3.2Å; D222-S224 PolarHBondContact OD1-N 3.2Å; D222-S224 PolarHBondContact OD1-OG 3.33Å
223	I	88.7	Confident	89.4	Confident	96 Å²	96	40.8 Å²	40.8	49%	0.492	21%	0.214	S	C	.	.			trans	-111.7	5.2	177.5	63.5	166.9	0	0	0	112	I159 I160 A225	I159-I223 HydrophobicContact CG2-CD1 3.68Å; I159-I223 HydrophobicContact CG2-CG1 3.72Å; I159-I223 HydrophobicContact CG2-CG2 4.11Å; I160-I223 VanDerWaalsContact O-CG1 3.28Å; I160-I223 WeakPolarHBondContact O-CG1 3.38Å; I160-I223 PolarHBondContact O-N 3.08Å; I223-A225 PolarHBondContact O-N 2.96Å
224	S	80	Confident	89.6	Confident	39 Å²	39	40 Å²	40	27%	0.273	21%	0.211	S	C	.	.			trans	-69.3	-17.5	-176.4	71.1	0	0	0	0	114.1	C161 D222 A226	C161-S224 WeakPolarHBondContact O-CA 3.3Å; C161-S224 WeakPolarHBondContact O-CB 3.02Å; D222-S224 WeakPolarHBondContact OD1-CB 3.2Å; D222-S224 PolarHBondContact OD1-N 3.2Å; D222-S224 PolarHBondContact OD1-OG 3.33Å; S224-A226 PolarHBondContact O-N 3Å
225	A	66	Low	90	Very high	11 Å²	11	38.1 Å²	38.1	9%	0.091	20%	0.201	C	C	.	.			trans	-76.6	96.1	-156.2	0	0	0	0	0	113.7	L181 N183 I223 N227 E228	L181-A225 HydrophobicContact CD1-CB 3.44Å; L181-A225 VanDerWaalsContact CD1-CB 3.44Å; L181-A225 HydrophobicContact CD2-CB 3.64Å; L181-A225 HydrophobicContact CG-CB 3.61Å; N183-A225 PolarHBondContact ND2-O 2.97Å; I223-A225 PolarHBondContact O-N 2.96Å; A225-N227 VanDerWaalsContact C-N 3.28Å; A225-N227 PolarHBondContact O-N 3.06Å; A225-E228 HydrophobicContact CB-CB 4.15Å
226	A	65.9	Low	90.4	Very high	75 Å²	75	33 Å²	33	62%	0.62	18%	0.177	S	C	*	.	S	Bend	trans	-58.6	-37.9	176.9	0	0	0	0	0	113.2	N186 S224	N186-A226 PolarHBondContact ND2-O 3.12Å; S224-A226 PolarHBondContact O-N 3Å
227	N	79.3	Confident	90.3	Very high	149 Å²	149	35.4 Å²	35.4	80%	0.797	19%	0.191	S	C	*	.	S	Bend	trans	-111.7	-19.6	-171	-70.3	-15.8	0	0	0	114.8	N186 A225	N186-N227 PolarHBondContact ND2-O 3.44Å; A225-N227 VanDerWaalsContact C-N 3.28Å; A225-N227 PolarHBondContact O-N 3.06Å
228	E	88.5	Confident	90	Very high	104 Å²	104	37.3 Å²	37.3	49%	0.486	21%	0.211	S	C	.	.			trans	-97.3	151.5	-179.9	-58.7	-172	158.1	0	0	110.9	L181 N183 N186 A225	L181-E228 HydrophobicContact CD1-CB 4.14Å; L181-E228 VanDerWaalsContact CD1-OE2 3.3Å; L181-E228 WeakPolarHBondContact CD1-OE2 3.27Å; L181-E228 HydrophobicContact CD2-CB 3.81Å; N183-E228 WeakPolarHBondContact CB-O 3.22Å; N186-E228 PolarHBondContact ND2-O 2.85Å; A225-E228 HydrophobicContact CB-CB 4.15Å
229	V	91	Very high	89.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.024	24%	0.235	C	C	.	.			trans	-106.6	-52.5	-175.6	170.9	0	0	0	0	111.2	L182 N183 N186 Y191 L199 T247 T258 V260	L182-V229 CarbonylContact C-O 3.52Å; L182-V229 WeakPolarHBondContact CA-O 3.46Å; N183-V229 PolarHBondContact N-O 2.86Å; N186-V229 HydrophobicContact CB-CG2 4.35Å; Y191-V229 HydrophobicContact CE1-CG1 4.39Å; Y191-V229 HydrophobicContact CE1-CG2 4.39Å; Y191-V229 WeakPolarHBondContact OH-CG1 3.27Å; L199-V229 HydrophobicContact CD2-CG1 4.18Å; V229-T247 HydrophobicContact CB-CG2 4.15Å; V229-T247 HydrophobicContact CG2-CG2 4.46Å; V229-T258 HydrophobicContact CG2-CG2 4.41Å; V229-V260 HydrophobicContact CG1-CG2 3.68Å
230	C	94.7	Very high	89.8	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	123.3	-179.5	-173	0	0	0	0	110.5	L181 L182 L199 C246 T247 V260	L181-C230 VanDerWaalsContact O-CA 3.32Å; L181-C230 WeakPolarHBondContact O-CA 3.43Å; L182-C230 HydrophobicContact CD1-CB 4.33Å; L199-C230 HydrophobicContact CD2-CB 3.89Å; C230-C246 HydrophobicContact CB-CB 3.89Å; C230-C246 WeakPolarHBondContact O-CB 3.42Å; C230-C246 PolarHBondContact O-N 2.91Å; C230-T247 PolarHBondContact N-OG1 3.16Å; C230-T247 PolarHBondContact O-OG1 3.3Å; C230-V260 HydrophobicContact CB-CG1 4.13Å
231	S	95.9	Very high	89.8	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	148.4	174.2	59.4	0	0	0	0	110.9	L181 V244	L181-S231 PolarHBondContact N-O 3.23Å; L181-S231 PolarHBondContact O-N 3.36Å; S231-V244 WeakPolarHBondContact CA-O 3.34Å
232	W	98.3	Very high	89.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.2	172	-66.9	72.3	0	0	0	109.5	I178 K179 L180 N202 L205 F206 L209 F234 E243 V244 C246 I267	I178-W232 HydrophobicContact CG2-CE3 3.72Å; I178-W232 HydrophobicContact CG2-CZ3 3.89Å; K179-W232 CarbonylContact O-C 3.52Å; K179-W232 WeakPolarHBondContact O-CA 3.42Å; L180-W232 HydrophobicContact CD1-CD2 4.12Å; L180-W232 HydrophobicContact CD1-CG 4.29Å; L180-W232 HydrophobicContact CD1-CZ2 4.27Å; N202-W232 VanDerWaalsContact O-CZ2 3.29Å; N202-W232 WeakPolarHBondContact O-CZ2 3.29Å; N202-W232 PolarHBondContact OD1-NE1 3.16Å; L205-W232 HydrophobicContact CB-CH2 4.41Å; L205-W232 HydrophobicContact CB-CZ2 4.39Å; L205-W232 HydrophobicContact CD2-CH2 4.47Å; L205-W232 HydrophobicContact CD2-CZ2 4.36Å; L205-W232 HydrophobicContact CG-CH2 4.19Å; L205-W232 HydrophobicContact CG-CZ2 4.41Å; F206-W232 VanDerWaalsContact CA-CH2 3.47Å; F206-W232 HydrophobicContact CB-CH2 3.54Å; F206-W232 HydrophobicContact CB-CZ2 4.13Å; F206-W232 HydrophobicContact CB-CZ3 4.18Å; F206-W232 HydrophobicContact CD2-CE3 4.44Å; F206-W232 AromaticContact CD2-CH2 4Å; F206-W232 HydrophobicContact CD2-CH2 4Å; F206-W232 AromaticContact CD2-CZ3 3.74Å; F206-W232 HydrophobicContact CD2-CZ3 3.74Å; F206-W232 HydrophobicContact CG-CH2 4.28Å; F206-W232 HydrophobicContact CG-CZ3 4.45Å; L209-W232 HydrophobicContact CD1-CH2 4.09Å; L209-W232 HydrophobicContact CD1-CZ3 3.88Å; W232-F234 HydrophobicContact CB-CE2 3.66Å; W232-F234 HydrophobicContact CB-CZ 3.84Å; W232-F234 HydrophobicContact CE3-CZ 4.28Å; W232-E243 CarbonylContact O-C 3.54Å; W232-E243 WeakPolarHBondContact O-CA 3.42Å; W232-E243 WeakPolarHBondContact O-CG 3.32Å; W232-V244 HydrophobicContact CB-CB 4.26Å; W232-V244 PolarHBondContact N-O 2.67Å; W232-V244 PolarHBondContact O-N 3.31Å; W232-C246 VanDerWaalsContact CD1-SG 3.54Å; W232-I267 HydrophobicContact CD2-CG1 4.42Å; W232-I267 HydrophobicContact CD2-CG2 3.68Å; W232-I267 HydrophobicContact CE3-CG2 3.78Å; W232-I267 HydrophobicContact CG-CG1 4.26Å; W232-I267 HydrophobicContact CG-CG2 4.28Å; W232-I267 HydrophobicContact CH2-CG2 3.82Å; W232-I267 HydrophobicContact CZ2-CD1 4.32Å; W232-I267 HydrophobicContact CZ2-CG2 3.78Å; W232-I267 HydrophobicContact CZ3-CG2 3.85Å
233	T	98	Very high	90.1	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.9	175.3	-43.1	0	0	0	0	109.8	K179 F235 K240	K179-T233 PolarHBondContact N-O 3.48Å; K179-T233 PolarHBondContact O-N 3.4Å; T233-F235 HydrophobicContact CG2-CD2 4.36Å; T233-F235 HydrophobicContact CG2-CE1 4.04Å; T233-F235 HydrophobicContact CG2-CE2 3.58Å; T233-F235 HydrophobicContact CG2-CZ 3.4Å; T233-F235 VanDerWaalsContact CG2-CZ 3.4Å; T233-K240 HydrophobicContact CG2-CB 4.45Å; T233-K240 HydrophobicContact CG2-CD 3.62Å; T233-K240 HydrophobicContact CG2-CG 3.69Å
234	F	98.6	Very high	90.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132	-174.4	-61	-87.6	0	0	0	109	I178 W232 K240 V241 A242 V244 I267 E270 A271 V274	I178-F234 HydrophobicContact CD1-CD1 4.25Å; I178-F234 HydrophobicContact CD1-CE1 4.25Å; I178-F234 HydrophobicContact CG1-CD1 3.92Å; I178-F234 HydrophobicContact CG1-CE1 4.28Å; I178-F234 HydrophobicContact CG2-CD1 4.25Å; I178-F234 HydrophobicContact CG2-CE1 4.04Å; W232-F234 HydrophobicContact CB-CE2 3.66Å; W232-F234 HydrophobicContact CB-CZ 3.84Å; W232-F234 HydrophobicContact CE3-CZ 4.28Å; F234-K240 WeakPolarHBondContact O-CA 3.22Å; F234-V241 HydrophobicContact CB-CG2 4.13Å; F234-V241 WeakPolarHBondContact O-CG2 3.4Å; F234-V241 PolarHBondContact O-N 3.12Å; F234-A242 HydrophobicContact CB-CB 4.07Å; F234-A242 HydrophobicContact CD2-CB 4.02Å; F234-A242 HydrophobicContact CG-CB 4.37Å; F234-A242 PolarHBondContact N-O 3.02Å; F234-A242 PolarHBondContact O-N 3.23Å; F234-V244 HydrophobicContact CE2-CB 4.4Å; F234-V244 HydrophobicContact CE2-CG2 3.85Å; F234-I267 HydrophobicContact CZ-CG2 4.36Å; F234-E270 HydrophobicContact CD1-CB 3.95Å; F234-E270 HydrophobicContact CD2-CB 3.79Å; F234-E270 HydrophobicContact CD2-CG 4.37Å; F234-E270 HydrophobicContact CE1-CB 3.74Å; F234-E270 HydrophobicContact CE2-CB 3.58Å; F234-E270 HydrophobicContact CE2-CG 4.15Å; F234-E270 HydrophobicContact CG-CB 3.98Å; F234-E270 HydrophobicContact CZ-CB 3.55Å; F234-E270 HydrophobicContact CZ-CG 4.49Å; F234-A271 HydrophobicContact CE1-CB 4.12Å; F234-V274 HydrophobicContact CB-CG2 3.52Å; F234-V274 HydrophobicContact CD1-CG2 3.56Å; F234-V274 HydrophobicContact CG-CG2 3.95Å
235	F	97.4	Very high	91.3	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.1	-175.1	-57	-94.6	0	0	0	111.7	E166 L170 P176 A177 K179 T233 Q239 K240	E166-F235 HydrophobicContact CG-CZ 4.32Å; L170-F235 HydrophobicContact CD1-CD1 3.39Å; L170-F235 HydrophobicContact CD1-CE1 3.4Å; L170-F235 VanDerWaalsContact CD1-CE1 3.4Å; L170-F235 HydrophobicContact CD1-CG 3.98Å; L170-F235 HydrophobicContact CD1-CZ 3.99Å; L170-F235 HydrophobicContact CD2-CB 3.85Å; L170-F235 HydrophobicContact CD2-CD1 4.02Å; L170-F235 HydrophobicContact CD2-CD2 4.07Å; L170-F235 HydrophobicContact CD2-CG 3.72Å; L170-F235 HydrophobicContact CG-CD1 4.37Å; P176-F235 WeakPolarHBondContact CA-O 3.36Å; P176-F235 WeakPolarHBondContact CB-O 3.48Å; A177-F235 HydrophobicContact CB-CB 4.12Å; A177-F235 HydrophobicContact CB-CD2 4.24Å; A177-F235 PolarHBondContact N-O 2.72Å; A177-F235 PolarHBondContact O-N 3.01Å; K179-F235 HydrophobicContact CB-CE2 3.8Å; K179-F235 HydrophobicContact CD-CE2 4.47Å; T233-F235 HydrophobicContact CG2-CD2 4.36Å; T233-F235 HydrophobicContact CG2-CE1 4.04Å; T233-F235 HydrophobicContact CG2-CE2 3.58Å; T233-F235 HydrophobicContact CG2-CZ 3.4Å; T233-F235 VanDerWaalsContact CG2-CZ 3.4Å; F235-Q239 CarbonylContact C-O 3.52Å; F235-Q239 WeakPolarHBondContact CA-O 3.38Å; F235-K240 HydrophobicContact CD1-CB 4.04Å; F235-K240 HydrophobicContact CE1-CB 3.94Å
236	G	93.5	Very high	92.8	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.9	173.2	0	0	0	0	0	109.7	G238 Q239	G236-G238 PolarHBondContact O-N 2.8Å; G236-Q239 PolarHBondContact N-O 2.93Å; G236-Q239 PolarHBondContact O-N 3.2Å; G236-Q239 VanDerWaalsContact O-O 3.09Å
237	K	87.8	Confident	94.1	Very high	155 Å²	155	48.1 Å²	48.1	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	37.3	-179.5	-58.6	174.4	-179	178.8	0	113.6	Q239 Y277	K237-Q239 VanDerWaalsContact C-N 3.25Å; K237-Q239 PolarHBondContact O-N 2.87Å; K237-Y277 HydrophobicContact CD-CD1 4.46Å; K237-Y277 HydrophobicContact CG-CD1 4.2Å
238	G	87.2	Confident	94.7	Very high	42 Å²	42	43 Å²	43	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	7.6	-179.9	0	0	0	0	0	115	G236	G236-G238 PolarHBondContact O-N 2.8Å
239	Q	92.7	Very high	94.8	Very high	143 Å²	143	42.1 Å²	42.1	67%	0.668	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.8	179.2	-64.3	-175.1	-30.2	0	0	110.8	F235 G236 K237 V241	F235-Q239 CarbonylContact C-O 3.52Å; F235-Q239 WeakPolarHBondContact CA-O 3.38Å; G236-Q239 PolarHBondContact N-O 2.93Å; G236-Q239 PolarHBondContact O-N 3.2Å; G236-Q239 VanDerWaalsContact O-O 3.09Å; K237-Q239 VanDerWaalsContact C-N 3.25Å; K237-Q239 PolarHBondContact O-N 2.87Å; Q239-V241 PolarHBondContact O-N 2.86Å
240	K	96.1	Very high	94.9	Very high	108 Å²	108	44.4 Å²	44.4	47%	0.47	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.2	174	176.4	175.2	172.8	171.8	0	109.6	T233 F234 F235 E243	T233-K240 HydrophobicContact CG2-CB 4.45Å; T233-K240 HydrophobicContact CG2-CD 3.62Å; T233-K240 HydrophobicContact CG2-CG 3.69Å; F234-K240 WeakPolarHBondContact O-CA 3.22Å; F235-K240 HydrophobicContact CD1-CB 4.04Å; F235-K240 HydrophobicContact CE1-CB 3.94Å; K240-E243 IonicContact NZ-OE1 2.77Å; K240-E243 PolarHBondContact NZ-OE1 3.4Å; K240-E243 IonicContact NZ-OE2 2.67Å; K240-E243 PolarHBondContact NZ-OE2 2.83Å
241	V	97	Very high	94.8	Very high	58 Å²	58	53 Å²	53	35%	0.352	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-30	-179	-64.2	0	0	0	0	112.7	F234 Q239 Y277	F234-V241 HydrophobicContact CB-CG2 4.13Å; F234-V241 WeakPolarHBondContact O-CG2 3.4Å; F234-V241 PolarHBondContact O-N 3.12Å; Q239-V241 PolarHBondContact O-N 2.86Å; V241-Y277 HydrophobicContact CB-CE2 4.35Å; V241-Y277 HydrophobicContact CG1-CE1 3.98Å; V241-Y277 HydrophobicContact CG1-CE2 4.17Å; V241-Y277 HydrophobicContact CG2-CE2 4.04Å
242	A	98.2	Very high	94.3	Very high	17 Å²	17	56.2 Å²	56.2	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	162.5	177.1	0	0	0	0	0	111.6	F234 E270	F234-A242 HydrophobicContact CB-CB 4.07Å; F234-A242 HydrophobicContact CD2-CB 4.02Å; F234-A242 HydrophobicContact CG-CB 4.37Å; F234-A242 PolarHBondContact N-O 3.02Å; F234-A242 PolarHBondContact O-N 3.23Å; A242-E270 HydrophobicContact CB-CG 4.2Å; A242-E270 WeakPolarHBondContact CB-OE2 3.47Å
243	E	97.5	Very high	93.8	Very high	90 Å²	90	63.1 Å²	63.1	42%	0.421	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.7	173.2	174.7	166.7	-104	0	0	110.9	W232 K240	W232-E243 CarbonylContact O-C 3.54Å; W232-E243 WeakPolarHBondContact O-CA 3.42Å; W232-E243 WeakPolarHBondContact O-CG 3.32Å; K240-E243 IonicContact NZ-OE1 2.77Å; K240-E243 PolarHBondContact NZ-OE1 3.4Å; K240-E243 IonicContact NZ-OE2 2.67Å; K240-E243 PolarHBondContact NZ-OE2 2.83Å
244	V	98.2	Very high	93.2	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.03	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	102.6	174	-179.1	0	0	0	0	107.7	S231 W232 F234 P263 R266 I267 E270	S231-V244 WeakPolarHBondContact CA-O 3.34Å; W232-V244 HydrophobicContact CB-CB 4.26Å; W232-V244 PolarHBondContact N-O 2.67Å; W232-V244 PolarHBondContact O-N 3.31Å; F234-V244 HydrophobicContact CE2-CB 4.4Å; F234-V244 HydrophobicContact CE2-CG2 3.85Å; V244-P263 HydrophobicContact CG1-CB 4.46Å; V244-P263 HydrophobicContact CG1-CG 3.55Å; V244-R266 HydrophobicContact CG1-CG 4.42Å; V244-R266 HydrophobicContact CG2-CG 3.81Å; V244-I267 HydrophobicContact CB-CG1 4.45Å; V244-I267 HydrophobicContact CG1-CG1 4.03Å; V244-E270 HydrophobicContact CG2-CG 4.09Å
245	C	95.7	Very high	92.6	Very high	81 Å²	81	75.1 Å²	75.1	55%	0.547	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.9	171.7	-174.4	0	0	0	0	109.5
246	C	96.1	Very high	92.2	Very high	0 Å²	0	82 Å²	82	0%	0	42%	0.42	C	S	.	.			trans	-102	11	-178.9	-59.3	0	0	0	0	112.3	N202 C230 W232 V260 E261	N202-C246 PolarHBondContact OD1-SG 2.89Å; C230-C246 HydrophobicContact CB-CB 3.89Å; C230-C246 WeakPolarHBondContact O-CB 3.42Å; C230-C246 PolarHBondContact O-N 2.91Å; W232-C246 VanDerWaalsContact CD1-SG 3.54Å; C246-V260 CarbonylContact O-C 3.42Å; C246-V260 WeakPolarHBondContact O-CA 3.34Å; C246-E261 WeakPolarHBondContact CB-O 3.35Å; C246-E261 PolarHBondContact O-N 3.32Å
247	T	93.2	Very high	92.1	Very high	38 Å²	38	82.6 Å²	82.6	23%	0.233	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.5	-172.5	-50.3	0	0	0	0	110.6	V229 C230 T258	V229-T247 HydrophobicContact CB-CG2 4.15Å; V229-T247 HydrophobicContact CG2-CG2 4.46Å; C230-T247 PolarHBondContact N-OG1 3.16Å; C230-T247 PolarHBondContact O-OG1 3.3Å; T247-T258 HydrophobicContact CG2-CG2 3.39Å
248	S	93.6	Very high	92.3	Very high	40 Å²	40	75.8 Å²	75.8	28%	0.28	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.2	171.8	63.7	0	0	0	0	111	K259	S248-K259 PolarHBondContact N-O 3.48Å; S248-K259 PolarHBondContact O-N 3.36Å
249	I	91.1	Very high	92.7	Very high	87 Å²	87	77.1 Å²	77.1	45%	0.446	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	175.7	-56.9	-58.8	0	0	0	108.9	Y251 K256 Q257 T258	I249-Y251 HydrophobicContact CG2-CE2 4.16Å; I249-K256 HydrophobicContact CG2-CB 4.22Å; I249-Q257 WeakPolarHBondContact CA-O 3.21Å; I249-T258 HydrophobicContact CD1-CG2 4.46Å
250	V	92.1	Very high	92.8	Very high	51 Å²	51	70.3 Å²	70.3	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.9	176.8	-179.8	0	0	0	0	108.7	Q257 K259	V250-Q257 PolarHBondContact N-O 3Å; V250-Q257 PolarHBondContact O-N 3Å; V250-K259 HydrophobicContact CG2-CB 3.68Å; V250-K259 HydrophobicContact CG2-CD 3.85Å; V250-K259 HydrophobicContact CG2-CG 4.37Å
251	Y	91.5	Very high	92.8	Very high	181 Å²	181	68.5 Å²	68.5	71%	0.71	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.9	175.9	-64.6	-87.1	0	0	0	109.9	I249 K256	I249-Y251 HydrophobicContact CG2-CE2 4.16Å; Y251-K256 HydrophobicContact CD1-CB 4.14Å; Y251-K256 HydrophobicContact CE1-CB 4.21Å
252	Q	85.4	Confident	92.8	Very high	72 Å²	72	67.9 Å²	67.9	34%	0.336	34%	0.342	S	S	.	.			trans	-109.4	160.3	166.3	-63.1	-177.7	-29.9	0	0	108.6	D254 R255 Q257	Q252-D254 PolarHBondContact O-N 3.42Å; Q252-D254 VanDerWaalsContact O-N 3.12Å; Q252-R255 CarbonylContact C-O 3.51Å; Q252-R255 WeakPolarHBondContact CA-O 3.08Å; Q252-R255 HydrophobicContact CB-CG 4.27Å; Q252-R255 WeakPolarHBondContact CB-O 3.4Å; Q252-R255 PolarHBondContact N-O 3.23Å; Q252-R255 PolarHBondContact O-N 3.49Å; Q252-R255 VanDerWaalsContact O-O 3.1Å; Q252-Q257 VanDerWaalsContact CD-OE1 3.26Å; Q252-Q257 VanDerWaalsContact OE1-CD 3.28Å
253	P	89.3	Confident	92.8	Very high	145 Å²	145	68.9 Å²	68.9	94%	0.942	35%	0.347	S	S	*	.	S	Bend	trans	-55.2	-31.3	-176.3	-27.7	35.9	0	0	0	114.9
254	D	86.1	Confident	92.8	Very high	124 Å²	124	69.7 Å²	69.7	66%	0.663	35%	0.351	S	S	*	.	S	Bend	trans	-104.8	-21.1	-175.3	62.6	-38.8	0	0	0	113.8	Q252	Q252-D254 PolarHBondContact O-N 3.42Å; Q252-D254 VanDerWaalsContact O-N 3.12Å
255	R	86	Confident	92.8	Very high	132 Å²	132	73.3 Å²	73.3	50%	0.498	38%	0.381	S	S	.	.			trans	-156.5	153.1	-172.8	63.2	-169.2	178.5	-176.7	-4.8	113.3	Q252 Q257	Q252-R255 CarbonylContact C-O 3.51Å; Q252-R255 WeakPolarHBondContact CA-O 3.08Å; Q252-R255 HydrophobicContact CB-CG 4.27Å; Q252-R255 WeakPolarHBondContact CB-O 3.4Å; Q252-R255 PolarHBondContact N-O 3.23Å; Q252-R255 PolarHBondContact O-N 3.49Å; Q252-R255 VanDerWaalsContact O-O 3.1Å; R255-Q257 HydrophobicContact CG-CG 4.08Å; R255-Q257 VanDerWaalsContact CZ-NE2 3.25Å
256	K	89	Confident	92.9	Very high	150 Å²	150	77 Å²	77	65%	0.652	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	135.4	162.9	64	-176.4	-179.1	-179.7	0	109.2	I249 Y251	I249-K256 HydrophobicContact CG2-CB 4.22Å; Y251-K256 HydrophobicContact CD1-CB 4.14Å; Y251-K256 HydrophobicContact CE1-CB 4.21Å
257	Q	91.4	Very high	93.1	Very high	15 Å²	15	77 Å²	77	7%	0.07	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149	177.1	-64.5	-166.3	-48.2	0	0	111	S190 T192 I249 V250 Q252 R255	S190-Q257 CarbonylContact O-C 3.58Å; S190-Q257 WeakPolarHBondContact O-CA 3.48Å; S190-Q257 VanDerWaalsContact O-CB 3.26Å; S190-Q257 WeakPolarHBondContact O-CB 3.43Å; T192-Q257 HydrophobicContact CG2-CB 3.85Å; I249-Q257 WeakPolarHBondContact CA-O 3.21Å; V250-Q257 PolarHBondContact N-O 3Å; V250-Q257 PolarHBondContact O-N 3Å; Q252-Q257 VanDerWaalsContact CD-OE1 3.26Å; Q252-Q257 VanDerWaalsContact OE1-CD 3.28Å; R255-Q257 HydrophobicContact CG-CG 4.08Å; R255-Q257 VanDerWaalsContact CZ-NE2 3.25Å
258	T	91.4	Very high	93.3	Very high	12 Å²	12	80.7 Å²	80.7	7%	0.074	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.1	170.8	-56.6	0	0	0	0	108.7	S190 Y191 T192 S195 V229 T247 I249	S190-T258 PolarHBondContact O-N 3.09Å; Y191-T258 CarbonylContact C-O 3.59Å; Y191-T258 VanDerWaalsContact CA-O 3.27Å; Y191-T258 WeakPolarHBondContact CA-O 3.49Å; Y191-T258 HydrophobicContact CD1-CG2 4.15Å; Y191-T258 HydrophobicContact CE1-CG2 3.99Å; T192-T258 PolarHBondContact N-O 2.87Å; S195-T258 PolarHBondContact OG-O 3.18Å; V229-T258 HydrophobicContact CG2-CG2 4.41Å; T247-T258 HydrophobicContact CG2-CG2 3.39Å; I249-T258 HydrophobicContact CD1-CG2 4.46Å
259	K	94.7	Very high	93.5	Very high	71 Å²	71	84.3 Å²	84.3	31%	0.309	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.8	175.5	-177.5	-173	176.8	-151.6	0	108.6	T192 S248 V250 E261	T192-K259 HydrophobicContact CG2-CB 3.88Å; T192-K259 HydrophobicContact CG2-CG 4.32Å; S248-K259 PolarHBondContact N-O 3.48Å; S248-K259 PolarHBondContact O-N 3.36Å; V250-K259 HydrophobicContact CG2-CB 3.68Å; V250-K259 HydrophobicContact CG2-CD 3.85Å; V250-K259 HydrophobicContact CG2-CG 4.37Å; K259-E261 HydrophobicContact CD-CG 4.27Å; K259-E261 WeakPolarHBondContact CE-OE1 3.48Å; K259-E261 HydrophobicContact CG-CG 4.22Å; K259-E261 IonicContact NZ-OE1 2.74Å; K259-E261 PolarHBondContact NZ-OE1 3.44Å
260	V	95	Very high	93.8	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.5	167.9	-175.7	0	0	0	0	108.5	S195 N198 L199 V229 C230 C246	S195-V260 PolarHBondContact OG-N 3.19Å; S195-V260 VanDerWaalsContact OG-N 3.13Å; N198-V260 HydrophobicContact CB-CB 4.49Å; N198-V260 HydrophobicContact CB-CG1 4.2Å; N198-V260 PolarHBondContact ND2-O 2.91Å; L199-V260 HydrophobicContact CD1-CG2 4.48Å; L199-V260 HydrophobicContact CD2-CG1 3.85Å; L199-V260 HydrophobicContact CD2-CG2 4.17Å; L199-V260 HydrophobicContact CG-CB 4.36Å; L199-V260 HydrophobicContact CG-CG1 3.97Å; L199-V260 HydrophobicContact CG-CG2 4.19Å; V229-V260 HydrophobicContact CG1-CG2 3.68Å; C230-V260 HydrophobicContact CB-CG1 4.13Å; C246-V260 CarbonylContact O-C 3.42Å; C246-V260 WeakPolarHBondContact O-CA 3.34Å
261	E	96.7	Very high	94.1	Very high	69 Å²	69	80.1 Å²	80.1	32%	0.322	38%	0.382	S	S	.	.			trans	-111.1	160.1	-179.6	-58.2	-169.4	154.2	0	0	110.5	N202 C246 K259	N202-E261 PolarHBondContact ND2-O 3Å; C246-E261 WeakPolarHBondContact CB-O 3.35Å; C246-E261 PolarHBondContact O-N 3.32Å; K259-E261 HydrophobicContact CD-CG 4.27Å; K259-E261 WeakPolarHBondContact CE-OE1 3.48Å; K259-E261 HydrophobicContact CG-CG 4.22Å; K259-E261 IonicContact NZ-OE1 2.74Å; K259-E261 PolarHBondContact NZ-OE1 3.44Å
262	F	97.7	Very high	94.3	Very high	46 Å²	46	73.1 Å²	73.1	20%	0.202	36%	0.356	C	S	.	.			trans	-125.2	80.8	174.4	176.8	-122.8	0	0	0	109.3	N198 K201 N202 L205 E264 I267	N198-F262 HydrophobicContact CB-CB 4.19Å; K201-F262 HydrophobicContact CB-CB 4.34Å; K201-F262 HydrophobicContact CB-CD1 3.73Å; K201-F262 HydrophobicContact CB-CD2 3.84Å; K201-F262 HydrophobicContact CB-CE1 3.88Å; K201-F262 HydrophobicContact CB-CE2 4.01Å; K201-F262 HydrophobicContact CB-CG 3.69Å; K201-F262 HydrophobicContact CB-CZ 4.02Å; K201-F262 HydrophobicContact CD-CD1 3.75Å; K201-F262 HydrophobicContact CD-CE1 4.21Å; K201-F262 HydrophobicContact CD-CG 4.27Å; K201-F262 HydrophobicContact CG-CD1 4.3Å; K201-F262 HydrophobicContact CG-CE1 4.45Å; K201-F262 WeakPolarHBondContact O-CE2 3.36Å; N202-F262 HydrophobicContact CB-CD2 4.48Å; L205-F262 HydrophobicContact CB-CE2 3.96Å; L205-F262 HydrophobicContact CB-CZ 4.18Å; L205-F262 HydrophobicContact CD2-CE2 3.71Å; L205-F262 HydrophobicContact CD2-CZ 4.01Å; L205-F262 HydrophobicContact CG-CE2 4.49Å; F262-E264 HydrophobicContact CD1-CB 4.1Å; F262-E264 HydrophobicContact CE1-CB 3.56Å; F262-E264 HydrophobicContact CE1-CG 3.9Å; F262-E264 WeakPolarHBondContact CE1-OE2 3.44Å; F262-E264 HydrophobicContact CE2-CB 4.21Å; F262-E264 HydrophobicContact CE2-CG 4.49Å; F262-E264 HydrophobicContact CZ-CB 3.62Å; F262-E264 HydrophobicContact CZ-CG 3.67Å; F262-E264 PolarHBondContact O-N 2.95Å; F262-I267 HydrophobicContact CD2-CD1 4.34Å; F262-I267 HydrophobicContact CE2-CD1 4.41Å
263	P	97.7	Very high	94.9	Very high	38 Å²	38	72.7 Å²	72.7	25%	0.247	36%	0.356	C	S	.	.			trans	-78.9	62.3	179.9	33.8	-36.3	0	0	0	111.4	V244 A265 R266 I267	V244-P263 HydrophobicContact CG1-CB 4.46Å; V244-P263 HydrophobicContact CG1-CG 3.55Å; P263-A265 PolarHBondContact O-N 2.94Å; P263-R266 HydrophobicContact CB-CB 4.44Å; P263-R266 PolarHBondContact O-N 2.79Å; P263-R266 VanDerWaalsContact O-N 3.09Å; P263-I267 HydrophobicContact CG-CD1 4.05Å; P263-I267 HydrophobicContact CG-CG1 4.25Å; P263-I267 WeakPolarHBondContact O-CG1 3.42Å; P263-I267 PolarHBondContact O-N 3.4Å
264	E	97.8	Very high	95.2	Very high	107 Å²	107	65.9 Å²	65.9	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-47.2	-52.2	-171.7	-174.8	173.7	-172.7	0	0	113.9	L205 F262 R266 I267 Y268	L205-E264 HydrophobicContact CD2-CG 4.27Å; F262-E264 HydrophobicContact CD1-CB 4.1Å; F262-E264 HydrophobicContact CE1-CB 3.56Å; F262-E264 HydrophobicContact CE1-CG 3.9Å; F262-E264 WeakPolarHBondContact CE1-OE2 3.44Å; F262-E264 HydrophobicContact CE2-CB 4.21Å; F262-E264 HydrophobicContact CE2-CG 4.49Å; F262-E264 HydrophobicContact CZ-CB 3.62Å; F262-E264 HydrophobicContact CZ-CG 3.67Å; F262-E264 PolarHBondContact O-N 2.95Å; E264-R266 VanDerWaalsContact C-N 3.31Å; E264-R266 PolarHBondContact O-N 3Å; E264-I267 PolarHBondContact O-N 3.03Å; E264-Y268 WeakPolarHBondContact O-CB 3.31Å; E264-Y268 PolarHBondContact O-N 3.3Å
265	A	97.9	Very high	95.5	Very high	80 Å²	80	61.2 Å²	61.2	66%	0.661	29%	0.287	S	S	*	.	H	α-helix	trans	-60.1	-40.9	-176.8	0	0	0	0	0	112.3	P263 Y268 E269	P263-A265 PolarHBondContact O-N 2.94Å; A265-Y268 PolarHBondContact O-N 2.94Å; A265-E269 WeakPolarHBondContact O-CB 3.39Å; A265-E269 PolarHBondContact O-N 2.6Å
266	R	98.5	Very high	95.8	Very high	160 Å²	160	61.7 Å²	61.7	60%	0.604	30%	0.299	S	S	*	.	H	α-helix	trans	-70	-42.4	178.1	-177.4	178.8	-85.9	-179.6	-7.2	111.1	V244 P263 E264 Y268 E269 E270	V244-R266 HydrophobicContact CG1-CG 4.42Å; V244-R266 HydrophobicContact CG2-CG 3.81Å; P263-R266 HydrophobicContact CB-CB 4.44Å; P263-R266 PolarHBondContact O-N 2.79Å; P263-R266 VanDerWaalsContact O-N 3.09Å; E264-R266 VanDerWaalsContact C-N 3.31Å; E264-R266 PolarHBondContact O-N 3Å; R266-Y268 VanDerWaalsContact C-N 3.29Å; R266-Y268 PolarHBondContact O-N 3.47Å; R266-E269 PolarHBondContact O-N 3.5Å; R266-E270 WeakPolarHBondContact O-CG 3.15Å; R266-E270 PolarHBondContact O-N 2.84Å
267	I	98.6	Very high	95.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-44.9	175.8	-64.4	160.9	0	0	0	110.1	N202 L205 W232 F234 V244 F262 P263 E264 A271	N202-I267 WeakPolarHBondContact OD1-CD1 3.34Å; L205-I267 HydrophobicContact CD2-CB 3.94Å; L205-I267 HydrophobicContact CD2-CD1 4.2Å; L205-I267 HydrophobicContact CD2-CG2 3.59Å; L205-I267 HydrophobicContact CG-CG2 4.46Å; W232-I267 HydrophobicContact CD2-CG1 4.42Å; W232-I267 HydrophobicContact CD2-CG2 3.68Å; W232-I267 HydrophobicContact CE3-CG2 3.78Å; W232-I267 HydrophobicContact CG-CG1 4.26Å; W232-I267 HydrophobicContact CG-CG2 4.28Å; W232-I267 HydrophobicContact CH2-CG2 3.82Å; W232-I267 HydrophobicContact CZ2-CD1 4.32Å; W232-I267 HydrophobicContact CZ2-CG2 3.78Å; W232-I267 HydrophobicContact CZ3-CG2 3.85Å; F234-I267 HydrophobicContact CZ-CG2 4.36Å; V244-I267 HydrophobicContact CB-CG1 4.45Å; V244-I267 HydrophobicContact CG1-CG1 4.03Å; F262-I267 HydrophobicContact CD2-CD1 4.34Å; F262-I267 HydrophobicContact CE2-CD1 4.41Å; P263-I267 HydrophobicContact CG-CD1 4.05Å; P263-I267 HydrophobicContact CG-CG1 4.25Å; P263-I267 WeakPolarHBondContact O-CG1 3.42Å; P263-I267 PolarHBondContact O-N 3.4Å; E264-I267 PolarHBondContact O-N 3.03Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.38Å; I267-A271 PolarHBondContact O-N 2.93Å
268	Y	97.1	Very high	95.5	Very high	115 Å²	115	60.8 Å²	60.8	45%	0.451	29%	0.293	S	S	.	.	H	α-helix	trans	-66.2	-43.3	-179.7	-168.4	-89.5	0	0	0	112.3	E264 A265 R266 A271 M272	E264-Y268 WeakPolarHBondContact O-CB 3.31Å; E264-Y268 PolarHBondContact O-N 3.3Å; A265-Y268 PolarHBondContact O-N 2.94Å; R266-Y268 VanDerWaalsContact C-N 3.29Å; R266-Y268 PolarHBondContact O-N 3.47Å; Y268-A271 PolarHBondContact O-N 3.43Å; Y268-M272 HydrophobicContact CD1-CG 3.9Å; Y268-M272 HydrophobicContact CE1-CE 4.36Å; Y268-M272 HydrophobicContact CE1-CG 3.56Å; Y268-M272 HydrophobicContact CE1-SD 4.02Å; Y268-M272 HydrophobicContact CE2-CE 4.27Å; Y268-M272 WeakPolarHBondContact O-CG 3.25Å; Y268-M272 PolarHBondContact O-N 2.88Å
269	E	98.2	Very high	94.5	Very high	116 Å²	116	67.8 Å²	67.8	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-57.5	-50.8	175.7	-177	179.3	169	0	0	111.5	A265 R266 A271 M272 N273	A265-E269 WeakPolarHBondContact O-CB 3.39Å; A265-E269 PolarHBondContact O-N 2.6Å; R266-E269 PolarHBondContact O-N 3.5Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.18Å; E269-M272 PolarHBondContact O-N 3.38Å; E269-M272 VanDerWaalsContact O-N 3.12Å; E269-N273 PolarHBondContact O-N 3.24Å
270	E	98.4	Very high	92.5	Very high	47 Å²	47	73.2 Å²	73.2	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-40.3	177.9	-64.6	-53.7	157.8	0	0	111.8	F234 A242 V244 R266 M272 N273 V274	F234-E270 HydrophobicContact CD1-CB 3.95Å; F234-E270 HydrophobicContact CD2-CB 3.79Å; F234-E270 HydrophobicContact CD2-CG 4.37Å; F234-E270 HydrophobicContact CE1-CB 3.74Å; F234-E270 HydrophobicContact CE2-CB 3.58Å; F234-E270 HydrophobicContact CE2-CG 4.15Å; F234-E270 HydrophobicContact CG-CB 3.98Å; F234-E270 HydrophobicContact CZ-CB 3.55Å; F234-E270 HydrophobicContact CZ-CG 4.49Å; A242-E270 HydrophobicContact CB-CG 4.2Å; A242-E270 WeakPolarHBondContact CB-OE2 3.47Å; V244-E270 HydrophobicContact CG2-CG 4.09Å; R266-E270 WeakPolarHBondContact O-CG 3.15Å; R266-E270 PolarHBondContact O-N 2.84Å; E270-M272 VanDerWaalsContact C-N 3.25Å; E270-M272 PolarHBondContact O-N 2.93Å; E270-N273 PolarHBondContact O-N 3.44Å; E270-N273 VanDerWaalsContact O-N 3.16Å; E270-V274 WeakPolarHBondContact O-CG2 3.34Å; E270-V274 PolarHBondContact O-N 3.06Å
271	A	97.7	Very high	90.3	Very high	2 Å²	2	77.3 Å²	77.3	2%	0.017	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-36	174.5	0	0	0	0	0	112.4	I178 L209 F234 I267 Y268 E269	I178-A271 HydrophobicContact CD1-CB 3.88Å; L209-A271 HydrophobicContact CD1-CB 3.9Å; L209-A271 HydrophobicContact CD2-CB 4.27Å; F234-A271 HydrophobicContact CE1-CB 4.12Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.38Å; I267-A271 PolarHBondContact O-N 2.93Å; Y268-A271 PolarHBondContact O-N 3.43Å; E269-A271 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.18Å
272	M	96.4	Very high	87.8	Confident	35 Å²	35	76.3 Å²	76.3	17%	0.172	38%	0.382	C	S	.	.	H	α-helix	trans	-73.1	-39.7	175.6	-67.7	-54.6	96.2	0	0	111.5	F213 Y268 E269 E270 V274 L275	F213-M272 HydrophobicContact CD2-CE 4.48Å; F213-M272 HydrophobicContact CE1-CE 4.46Å; F213-M272 HydrophobicContact CE2-CE 3.48Å; F213-M272 VanDerWaalsContact CE2-CE 3.48Å; F213-M272 HydrophobicContact CZ-CE 3.47Å; F213-M272 VanDerWaalsContact CZ-CE 3.47Å; F213-M272 HydrophobicContact CZ-SD 4.16Å; Y268-M272 HydrophobicContact CD1-CG 3.9Å; Y268-M272 HydrophobicContact CE1-CE 4.36Å; Y268-M272 HydrophobicContact CE1-CG 3.56Å; Y268-M272 HydrophobicContact CE1-SD 4.02Å; Y268-M272 HydrophobicContact CE2-CE 4.27Å; Y268-M272 WeakPolarHBondContact O-CG 3.25Å; Y268-M272 PolarHBondContact O-N 2.88Å; E269-M272 PolarHBondContact O-N 3.38Å; E269-M272 VanDerWaalsContact O-N 3.12Å; E270-M272 VanDerWaalsContact C-N 3.25Å; E270-M272 PolarHBondContact O-N 2.93Å; M272-V274 VanDerWaalsContact C-N 3.27Å; M272-V274 PolarHBondContact O-N 3.26Å; M272-L275 HydrophobicContact CE-CD1 4.18Å; M272-L275 WeakPolarHBondContact O-CB 3.47Å; M272-L275 PolarHBondContact O-N 2.88Å; M272-L275 VanDerWaalsContact O-N 3.16Å; M272-L275 HydrophobicContact SD-CD1 4.03Å
273	N	96.7	Very high	85.1	Confident	63 Å²	63	79.5 Å²	79.5	34%	0.337	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-34.1	176.1	-71	-21.7	0	0	0	112	E269 E270 L275 L276	E269-N273 PolarHBondContact O-N 3.24Å; E270-N273 PolarHBondContact O-N 3.44Å; E270-N273 VanDerWaalsContact O-N 3.16Å; N273-L275 PolarHBondContact O-N 2.85Å; N273-L276 WeakPolarHBondContact O-CB 3.43Å; N273-L276 VanDerWaalsContact O-CG 3.3Å; N273-L276 WeakPolarHBondContact O-CG 3.38Å; N273-L276 PolarHBondContact O-N 3.46Å
274	V	95.3	Very high	82.5	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.006	41%	0.406	C	S	.	.	H	α-helix	trans	-57.3	-33.3	175	168.7	0	0	0	0	112.6	P176 I178 F234 E270 M272 L276 Y277	P176-V274 HydrophobicContact CB-CG1 3.51Å; P176-V274 HydrophobicContact CG-CG1 4.07Å; I178-V274 HydrophobicContact CD1-CG1 4.49Å; I178-V274 HydrophobicContact CG1-CG1 4.16Å; I178-V274 HydrophobicContact CG1-CG2 4.45Å; F234-V274 HydrophobicContact CB-CG2 3.52Å; F234-V274 HydrophobicContact CD1-CG2 3.56Å; F234-V274 HydrophobicContact CG-CG2 3.95Å; E270-V274 WeakPolarHBondContact O-CG2 3.34Å; E270-V274 PolarHBondContact O-N 3.06Å; M272-V274 VanDerWaalsContact C-N 3.27Å; M272-V274 PolarHBondContact O-N 3.26Å; V274-L276 PolarHBondContact O-N 3.01Å; V274-L276 VanDerWaalsContact O-N 3.14Å; V274-Y277 PolarHBondContact O-N 3.31Å
275	L	92.5	Very high	79.8	Confident	27 Å²	27	77 Å²	77	14%	0.141	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-64.2	-18.9	178.6	-54.1	177.4	0	0	0	112.7	F213 V217 M272 N273 Y277 E278	F213-L275 HydrophobicContact CD1-CD1 4.29Å; F213-L275 HydrophobicContact CD1-CD2 4.15Å; F213-L275 HydrophobicContact CE1-CD1 3.83Å; F213-L275 HydrophobicContact CZ-CD1 4.26Å; V217-L275 HydrophobicContact CG2-CD2 3.54Å; M272-L275 HydrophobicContact CE-CD1 4.18Å; M272-L275 WeakPolarHBondContact O-CB 3.47Å; M272-L275 PolarHBondContact O-N 2.88Å; M272-L275 VanDerWaalsContact O-N 3.16Å; M272-L275 HydrophobicContact SD-CD1 4.03Å; N273-L275 PolarHBondContact O-N 2.85Å; L275-Y277 PolarHBondContact O-N 3.49Å; L275-E278 WeakPolarHBondContact CD2-OE1 3.21Å; L275-E278 WeakPolarHBondContact O-CG 3.27Å; L275-E278 PolarHBondContact O-N 3.23Å
276	L	92.5	Very high	77	Confident	142 Å²	142	74 Å²	74	74%	0.743	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.7	174.5	-56.9	174.9	0	0	0	112.7	N273 V274	N273-L276 WeakPolarHBondContact O-CB 3.43Å; N273-L276 VanDerWaalsContact O-CG 3.3Å; N273-L276 WeakPolarHBondContact O-CG 3.38Å; N273-L276 PolarHBondContact O-N 3.46Å; V274-L276 PolarHBondContact O-N 3.01Å; V274-L276 VanDerWaalsContact O-N 3.14Å
277	Y	90	Very high	74.4	Confident	83 Å²	83	73.8 Å²	73.8	33%	0.325	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-94.6	7.2	179.5	-62.2	-88.4	0	0	0	113.5	K237 V241 V274 L275 R279	K237-Y277 HydrophobicContact CD-CD1 4.46Å; K237-Y277 HydrophobicContact CG-CD1 4.2Å; V241-Y277 HydrophobicContact CB-CE2 4.35Å; V241-Y277 HydrophobicContact CG1-CE1 3.98Å; V241-Y277 HydrophobicContact CG1-CE2 4.17Å; V241-Y277 HydrophobicContact CG2-CE2 4.04Å; V274-Y277 PolarHBondContact O-N 3.31Å; L275-Y277 PolarHBondContact O-N 3.49Å; Y277-R279 PolarHBondContact O-N 2.77Å
278	E	84.7	Confident	71.6	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.29	42%	0.415	S	S	.	.			trans	-60.4	128.8	174.6	-75.2	172.8	-156.1	0	0	111.3	P176 R216 L275	P176-E278 HydrophobicContact CG-CG 3.92Å; R216-E278 IonicContact CZ-OE1 3.36Å; R216-E278 IonicContact CZ-OE2 3.76Å; R216-E278 VanDerWaalsContact NE-CD 3.27Å; R216-E278 IonicContact NE-OE1 2.85Å; R216-E278 PolarHBondContact NE-OE1 2.96Å; R216-E278 IonicContact NE-OE2 2.9Å; R216-E278 PolarHBondContact NE-OE2 3.5Å; R216-E278 IonicContact NH1-OE1 3.76Å; R216-E278 IonicContact NH2-OE1 3.21Å; R216-E278 PolarHBondContact NH2-OE1 3.42Å; R216-E278 IonicContact NH2-OE2 2.94Å; R216-E278 PolarHBondContact NH2-OE2 3.38Å; L275-E278 WeakPolarHBondContact CD2-OE1 3.21Å; L275-E278 WeakPolarHBondContact O-CG 3.27Å; L275-E278 PolarHBondContact O-N 3.23Å
279	R	69.7	Low	68.9	Low	159 Å²	159	74.4 Å²	74.4	60%	0.6	41%	0.413	S	S	*	.			trans	-81.3	126.3	164.3	-67.9	-172.5	179.8	-166.6	2.7	107.4	Y277 A281	Y277-R279 PolarHBondContact O-N 2.77Å; R279-A281 PolarHBondContact O-N 2.67Å
280	M	53.9	Low	66	Low	185 Å²	185	71.8 Å²	71.8	91%	0.911	41%	0.407	S	S	*	.			trans	-56.5	101.7	169.3	-119.6	91	149.1	0	0	107.7	S282	M280-S282 PolarHBondContact O-N 3.21Å
281	A	49.2	Very low	63.3	Low	87 Å²	87	77.9 Å²	77.9	72%	0.719	44%	0.44	S	S	*	.			trans	-70.9	120.9	167.2	0	0	0	0	0	106.9	R279	R279-A281 PolarHBondContact O-N 2.67Å
282	S	42.9	Very low	60.5	Low	48 Å²	48	86.3 Å²	86.3	34%	0.336	48%	0.48	S	S	.	.			trans	-56	132.1	167.7	179.2	0	0	0	0	108.1	M280 T284	M280-S282 PolarHBondContact O-N 3.21Å; S282-T284 PolarHBondContact O-N 3.5Å; S282-T284 VanDerWaalsContact O-N 3.13Å; S282-T284 PolarHBondContact OG-OG1 3.48Å
283	P	41.9	Very low	57.7	Low	112 Å²	112	87.3 Å²	87.3	73%	0.727	49%	0.488	S	S	*	.	S	Bend	trans	-62	-19.1	178.3	-20.4	31.1	0	0	0	113.3	G285	P283-G285 PolarHBondContact O-N 3.23Å
284	T	43.2	Very low	54.8	Low	37 Å²	37	89.6 Å²	89.6	23%	0.227	51%	0.506	C	S	.	.	S	Bend	trans	-84.3	114.1	175.6	48.3	0	0	0	0	108.7	S282 C286	S282-T284 PolarHBondContact O-N 3.5Å; S282-T284 VanDerWaalsContact O-N 3.13Å; S282-T284 PolarHBondContact OG-OG1 3.48Å; T284-C286 PolarHBondContact O-N 3.44Å
285	G	40.4	Very low	52	Low	57 Å²	57	92.8 Å²	92.8	59%	0.588	52%	0.522	S	S	*	.			trans	-63.6	40.4	172.7	0	0	0	0	0	114.4	P283 N287	P283-G285 PolarHBondContact O-N 3.23Å; G285-N287 PolarHBondContact O-N 3.36Å
286	C	40.3	Very low	49.6	Very low	17 Å²	17	91.7 Å²	91.7	12%	0.115	52%	0.516	C	S	.	.			trans	-83.4	109.9	172	168.5	0	0	0	0	108.5	T284 D288 C296	T284-C286 PolarHBondContact O-N 3.44Å; C286-D288 PolarHBondContact O-N 3.32Å; C286-D288 PolarHBondContact SG-N 3.3Å; C286-C296 HydrophobicContact CB-CB 3.56Å; C286-C296 WeakPolarHBondContact CB-SG 3.26Å; C286-C296 WeakPolarHBondContact SG-CB 3.39Å; C286-C296 CovalentContact SG-SG 2.01Å; C286-C296 PolarHBondContact SG-SG 3.22Å
287	N	43.4	Very low	47.6	Very low	155 Å²	155	91.8 Å²	91.8	83%	0.829	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	3.4	176.9	-71	-20.1	0	0	0	114	G285	G285-N287 PolarHBondContact O-N 3.36Å
288	D	38.8	Very low	45.7	Very low	78 Å²	78	91.2 Å²	91.2	42%	0.417	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	18.4	-175	-150.3	17.9	0	0	0	113.4	C286 S290 H298	C286-D288 PolarHBondContact O-N 3.32Å; C286-D288 PolarHBondContact SG-N 3.3Å; D288-S290 PolarHBondContact O-N 2.95Å; D288-H298 IonicContact OD2-CE1 2.67Å; D288-H298 PolarHBondContact OD2-CE1 3.13Å; D288-H298 IonicContact OD2-ND1 3.77Å
289	A	40.3	Very low	44.1	Very low	49 Å²	49	88.9 Å²	88.9	41%	0.405	50%	0.504	S	S	.	.			trans	-68.9	88.6	164.9	0	0	0	0	0	109
290	S	37.2	Very low	43.2	Very low	61 Å²	61	87 Å²	87	43%	0.427	50%	0.501	S	S	.	.			trans	-47.4	140.9	166.5	151.8	0	0	0	0	110.8	D288 Q292 T293	D288-S290 PolarHBondContact O-N 2.95Å; S290-Q292 PolarHBondContact O-N 3.03Å; S290-Q292 PolarHBondContact OG-N 2.92Å; S290-T293 PolarHBondContact O-N 3.39Å
291	L	43.2	Very low	42.7	Very low	175 Å²	175	81.5 Å²	81.5	92%	0.916	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-18	177.7	-102.6	83	0	0	0	114.4
292	Q	38.1	Very low	42	Very low	180 Å²	180	84.4 Å²	84.4	84%	0.841	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-4.2	-178	-72.3	179.4	-9.5	0	0	113.9	S290	S290-Q292 PolarHBondContact O-N 3.03Å; S290-Q292 PolarHBondContact OG-N 2.92Å
293	T	38	Very low	41.6	Very low	56 Å²	56	85.3 Å²	85.3	34%	0.344	48%	0.483	S	S	.	.			trans	-135	108.7	-176.1	-37.8	0	0	0	0	110.1	S290 M295	S290-T293 PolarHBondContact O-N 3.39Å; T293-M295 HydrophobicContact CG2-CB 4.07Å; T293-M295 PolarHBondContact O-N 3.25Å
294	P	36.2	Very low	41	Very low	111 Å²	111	84.9 Å²	84.9	72%	0.721	48%	0.482	S	S	*	.	S	Bend	trans	-71.6	2.3	175.8	30.4	-33.6	0	0	0	112.8
295	M	35.6	Very low	40.5	Very low	67 Å²	67	88.3 Å²	88.3	33%	0.33	50%	0.503	S	S	.	.	S	Bend	trans	-98.2	116.9	167.2	-64.7	172.2	59.1	0	0	107.5	T293 Q297 E300	T293-M295 HydrophobicContact CG2-CB 4.07Å; T293-M295 PolarHBondContact O-N 3.25Å; M295-Q297 PolarHBondContact O-N 3.09Å; M295-E300 HydrophobicContact CE-CB 3.98Å; M295-E300 HydrophobicContact CE-CG 3.95Å
296	C	42.8	Very low	40	Very low	4 Å²	4	94.6 Å²	94.6	3%	0.027	52%	0.517	C	S	.	.			trans	-59.6	124.1	161.1	161.7	0	0	0	0	107.7	C286 H298 C299 E300	C286-C296 HydrophobicContact CB-CB 3.56Å; C286-C296 WeakPolarHBondContact CB-SG 3.26Å; C286-C296 WeakPolarHBondContact SG-CB 3.39Å; C286-C296 CovalentContact SG-SG 2.01Å; C286-C296 PolarHBondContact SG-SG 3.22Å; C296-H298 CarbonylContact O-C 3.49Å; C296-H298 PolarHBondContact O-N 3.26Å; C296-H298 WeakPolarHBondContact SG-CB 3.08Å; C296-H298 PolarHBondContact SG-N 3.33Å; C296-H298 VanDerWaalsContact SG-N 3.39Å; C296-C299 VanDerWaalsContact CB-SG 3.5Å; C296-C299 PolarHBondContact O-N 3.04Å; C296-C299 VanDerWaalsContact O-N 3.15Å; C296-C299 VanDerWaalsContact SG-SG 3.67Å; C296-E300 PolarHBondContact O-N 3.09Å; C296-E300 VanDerWaalsContact O-N 3.11Å
297	Q	50.4	Low	39.5	Very low	144 Å²	144	104.1 Å²	104.1	67%	0.673	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	179.9	-71.8	-170.9	-20.5	0	0	112.3	M295	M295-Q297 PolarHBondContact O-N 3.09Å
298	H	50.5	Low	38.9	Very low	71 Å²	71	104.1 Å²	104.1	33%	0.329	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-73.5	169.1	-60	81.6	0	0	0	109.2	K96 F118 D288 C296 E300	K96-H298 PolarHBondContact NZ-O 3.26Å; F118-H298 HydrophobicContact CD1-CB 3.99Å; F118-H298 AromaticContact CD1-CD2 3.98Å; F118-H298 HydrophobicContact CD2-CB 4.1Å; F118-H298 HydrophobicContact CE1-CB 3.51Å; F118-H298 AromaticContact CE1-CD2 3.58Å; F118-H298 AromaticContact CE1-CG 3.97Å; F118-H298 HydrophobicContact CE2-CB 3.74Å; F118-H298 WeakPolarHBondContact CE2-O 3.47Å; F118-H298 HydrophobicContact CG-CB 4.29Å; F118-H298 HydrophobicContact CZ-CB 3.41Å; F118-H298 VanDerWaalsContact CZ-CB 3.41Å; F118-H298 WeakPolarHBondContact CZ-O 3.36Å; D288-H298 IonicContact OD2-CE1 2.67Å; D288-H298 PolarHBondContact OD2-CE1 3.13Å; D288-H298 IonicContact OD2-ND1 3.77Å; C296-H298 CarbonylContact O-C 3.49Å; C296-H298 PolarHBondContact O-N 3.26Å; C296-H298 WeakPolarHBondContact SG-CB 3.08Å; C296-H298 PolarHBondContact SG-N 3.33Å; C296-H298 VanDerWaalsContact SG-N 3.39Å; H298-E300 PolarHBondContact O-N 2.76Å
299	C	49.7	Very low	38.4	Very low	14 Å²	14	110.1 Å²	110.1	10%	0.095	57%	0.57	C	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-24.5	-166.1	41.6	0	0	0	0	117.2	F118 C296 T301	F118-C299 HydrophobicContact CD2-CB 4.44Å; F118-C299 HydrophobicContact CE2-CB 4.29Å; C296-C299 VanDerWaalsContact CB-SG 3.5Å; C296-C299 PolarHBondContact O-N 3.04Å; C296-C299 VanDerWaalsContact O-N 3.15Å; C296-C299 VanDerWaalsContact SG-SG 3.67Å; C299-T301 WeakPolarHBondContact CB-OG1 3.41Å; C299-T301 PolarHBondContact O-N 3.45Å
300	E	51.7	Low	37.8	Very low	118 Å²	118	112.3 Å²	112.3	55%	0.551	58%	0.583	S	S	*	*			trans	46.2	0.9	-172	-75.6	-178.2	148.4	0	0	115.7	K96 M295 C296 H298 Q302	K96-E300 IonicContact NZ-OE2 2.89Å; K96-E300 PolarHBondContact NZ-OE2 3.36Å; M295-E300 HydrophobicContact CE-CB 3.98Å; M295-E300 HydrophobicContact CE-CG 3.95Å; C296-E300 PolarHBondContact O-N 3.09Å; C296-E300 VanDerWaalsContact O-N 3.11Å; H298-E300 PolarHBondContact O-N 2.76Å; E300-Q302 PolarHBondContact O-N 2.85Å
301	T	42.9	Very low	37.6	Very low	70 Å²	70	119.9 Å²	119.9	43%	0.429	60%	0.602	S	S	.	*			trans	-67	109.5	168.6	48.6	0	0	0	0	105.5	C299 C303	C299-T301 WeakPolarHBondContact CB-OG1 3.41Å; C299-T301 PolarHBondContact O-N 3.45Å; T301-C303 PolarHBondContact O-N 2.8Å; T301-C303 VanDerWaalsContact O-N 3.14Å
302	Q	35.8	Very low	37	Very low	148 Å²	148	121 Å²	121	69%	0.692	60%	0.603	S	S	*	*			trans	-47.1	123.8	159.7	-67.5	178.3	2.8	0	0	106.7	E300 S304	E300-Q302 PolarHBondContact O-N 2.85Å; Q302-S304 PolarHBondContact O-N 3.13Å; Q302-S304 PolarHBondContact O-OG 2.91Å
303	C	33.9	Very low	36.6	Very low	68 Å²	68	115.2 Å²	115.2	46%	0.459	59%	0.585	S	S	.	*			trans	-60.2	94.6	165.4	-178.8	0	0	0	0	105.9	T301 T305	T301-C303 PolarHBondContact O-N 2.8Å; T301-C303 VanDerWaalsContact O-N 3.14Å; C303-T305 PolarHBondContact O-N 3.42Å
304	S	29.5	Very low	36.1	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	61%	0.61	S	S	*	*			trans	-56.1	113.1	-171.1	-52.7	0	0	0	0	108.9	Q302 E306	Q302-S304 PolarHBondContact O-N 3.13Å; Q302-S304 PolarHBondContact O-OG 2.91Å; S304-E306 PolarHBondContact O-N 2.92Å
305	T	32.2	Very low	35.9	Very low	109 Å²	109	128.6 Å²	128.6	67%	0.669	62%	0.615	S	S	*	*			trans	-75.7	52.8	176.5	36.9	0	0	0	0	110.7	C303 R307 M308	C303-T305 PolarHBondContact O-N 3.42Å; T305-R307 VanDerWaalsContact C-N 3.26Å; T305-R307 PolarHBondContact O-N 2.79Å; T305-M308 HydrophobicContact CG2-SD 4.32Å
306	E	30.2	Very low	35.6	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.8	-42.1	166.4	-71.9	176.7	173.2	0	0	116.7	S304	S304-E306 PolarHBondContact O-N 2.92Å
307	R	29.8	Very low	34.9	Very low	217 Å²	217	145.6 Å²	145.6	82%	0.819	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	8.2	-156.6	-128.1	176.7	-171.9	-158.4	4	114.6	T305 K309	T305-R307 VanDerWaalsContact C-N 3.26Å; T305-R307 PolarHBondContact O-N 2.79Å; R307-K309 VanDerWaalsContact C-N 3.28Å; R307-K309 PolarHBondContact O-N 3.45Å
308	M	30.8	Very low	34	Very low	156 Å²	156	144.3 Å²	144.3	77%	0.768	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	0.8	-171.9	-122.6	173.4	176.2	0	0	114.9	T305	T305-M308 HydrophobicContact CG2-SD 4.32Å
309	K	27.4	Very low	33.1	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	6.2	178.2	-80.4	-170.2	177.8	176.8	0	116.4	R307	R307-K309 VanDerWaalsContact C-N 3.28Å; R307-K309 PolarHBondContact O-N 3.45Å
310	S	27.9	Very low	32.4	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	73%	0.731	S	S	*	*			trans	-149.4	89.1	178.2	-70.7	0	0	0	0	112.2
311	R	33.6	Very low	31.7	Very low	220 Å²	220	156 Å²	156	83%	0.83	74%	0.744	S	S	*	*			trans	-175.9	63.1	145.8	-96.9	149.2	-175.3	-117.4	-1.9	111.8	A313	R311-A313 HydrophobicContact CG-CB 4.49Å; R311-A313 PolarHBondContact O-N 2.9Å; R311-A313 VanDerWaalsContact O-N 3.08Å
312	Q	29.6	Very low	31.4	Very low	199 Å²	199	160.2 Å²	160.2	93%	0.93	76%	0.762	S	S	*	*			trans	-69.8	80.4	132.5	-86.1	178.2	-14.5	0	0	106	R314	Q312-R314 PolarHBondContact O-N 2.74Å
313	A	30.5	Very low	31.4	Very low	57 Å²	57	165.6 Å²	165.6	47%	0.471	79%	0.787	S	S	.	*			trans	-71.4	86.4	169	0	0	0	0	0	106.9	R311 W315	R311-A313 HydrophobicContact CG-CB 4.49Å; R311-A313 PolarHBondContact O-N 2.9Å; R311-A313 VanDerWaalsContact O-N 3.08Å; A313-W315 PolarHBondContact O-N 2.81Å
314	R	26.7	Very low	31.2	Very low	229 Å²	229	170.5 Å²	170.5	86%	0.864	80%	0.804	S	S	*	*			trans	-62.5	100.7	168.7	-178.2	174.3	-177.5	167.5	0.5	107.1	Q312 K316	Q312-R314 PolarHBondContact O-N 2.74Å; R314-K316 PolarHBondContact O-N 2.81Å
315	W	33.5	Very low	31.3	Very low	220 Å²	220	174.1 Å²	174.1	83%	0.833	81%	0.808	S	S	*	*			trans	-58.1	107.3	175	-54.5	99.6	0	0	0	109.1	A313 R317	A313-W315 PolarHBondContact O-N 2.81Å; W315-R317 PolarHBondContact O-N 2.8Å
316	K	27.9	Very low	31.3	Very low	191 Å²	191	177.7 Å²	177.7	83%	0.83	82%	0.816	S	S	*	*			trans	-77	118.3	162.8	-79.1	-173.5	176.4	-177.8	0	106.3	R314 V318	R314-K316 PolarHBondContact O-N 2.81Å; K316-V318 PolarHBondContact O-N 2.83Å
317	R	28.7	Very low	31.4	Very low	236 Å²	236	177 Å²	177	89%	0.891	81%	0.812	S	S	*	*			trans	-48.9	124	165.4	-87	-178.2	-95.8	154.1	-7.3	107.8	W315 S319	W315-R317 PolarHBondContact O-N 2.8Å; R317-S319 PolarHBondContact O-N 3.43Å; R317-S319 VanDerWaalsContact O-N 3.13Å
318	V	31.5	Very low	31.5	Very low	118 Å²	118	174.5 Å²	174.5	72%	0.715	81%	0.812	S	S	*	*			trans	-68.3	104.6	165.2	178.6	0	0	0	0	105.2	K316 Y320	K316-V318 PolarHBondContact O-N 2.83Å; V318-Y320 PolarHBondContact O-N 3.1Å
319	S	32.2	Very low	31.5	Very low	96 Å²	96	175.7 Å²	175.7	67%	0.671	82%	0.815	S	S	*	*			trans	-69.7	122.5	164.2	-68.8	0	0	0	0	106.7	R317 D321	R317-S319 PolarHBondContact O-N 3.43Å; R317-S319 VanDerWaalsContact O-N 3.13Å; S319-D321 PolarHBondContact O-N 3.36Å
320	Y	33.8	Very low	31.8	Very low	198 Å²	198	173.8 Å²	173.8	78%	0.776	81%	0.81	S	S	*	*			trans	-76.7	107.5	162.4	-74.4	-90.7	0	0	0	106.2	V318 I322	V318-Y320 PolarHBondContact O-N 3.1Å; Y320-I322 VanDerWaalsContact C-N 3.35Å; Y320-I322 PolarHBondContact O-N 2.85Å; Y320-I322 VanDerWaalsContact O-N 3.1Å
321	D	36.9	Very low	32.1	Very low	153 Å²	153	179.8 Å²	179.8	82%	0.818	82%	0.82	S	S	*	*			trans	-69.9	101.4	161.8	-68.1	-37.2	0	0	0	106.1	S319 E323	S319-D321 PolarHBondContact O-N 3.36Å; D321-E323 PolarHBondContact O-N 3.12Å
322	I	36.6	Very low	32	Very low	159 Å²	159	176.4 Å²	176.4	82%	0.815	82%	0.82	S	S	*	*			trans	-82.4	98.9	165.4	-59.3	172.5	0	0	0	104.7	Y320	Y320-I322 VanDerWaalsContact C-N 3.35Å; Y320-I322 PolarHBondContact O-N 2.85Å; Y320-I322 VanDerWaalsContact O-N 3.1Å
323	E	35.9	Very low	32.2	Very low	261 Å²	261	174.4 Å²	174.4	100%	1.22	81%	0.81	S	S	*	*			trans	-92.6	0	155.2	-80.6	-170.6	157.3	0	0	110.1	D321	D321-E323 PolarHBondContact O-N 3.12Å

Retrieved 323 of 323 residues in 158.5 ms (Link to these results)

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