A0A087XF76_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087XF76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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	41.3	Very low	56.5	Low	248 Å²	248	136.9 Å²	136.9	100%	1.222	70%	0.7	S	S	*	*				0	94.4	0	-78.8	171.7	161.3	0	0	108.6
2	T	42	Very low	56.8	Low	146 Å²	146	133.6 Å²	133.6	90%	0.896	68%	0.684	S	S	*	*			trans	-91.4	102	-179.7	37.6	0	0	0	0	108.9	R4	T2-R4 PolarHBondContact O-N 3.15Å
3	A	48.8	Very low	57.3	Low	90 Å²	90	134.3 Å²	134.3	74%	0.744	68%	0.68	S	S	*	*			trans	-69.4	110.4	177.6	0	0	0	0	0	109.9	L5	A3-L5 PolarHBondContact O-N 3.15Å
4	R	54	Low	57.2	Low	247 Å²	247	135.3 Å²	135.3	93%	0.932	68%	0.678	S	S	*	*			trans	-70.8	103.8	166.7	-79.5	-176.1	178.3	-174	0	108.1	T2 S6	T2-R4 PolarHBondContact O-N 3.15Å; R4-S6 PolarHBondContact O-N 3.26Å
5	L	55.7	Low	57.3	Low	105 Å²	105	134.7 Å²	134.7	55%	0.55	68%	0.676	S	S	.	*			trans	-61.9	125.5	166.6	-89.9	84.6	0	0	0	109	A3 Q9 L10	A3-L5 PolarHBondContact O-N 3.15Å; L5-Q9 HydrophobicContact CD2-CB 4.12Å; L5-Q9 HydrophobicContact CG-CB 4.48Å; L5-L10 HydrophobicContact CB-CD1 4.09Å
6	S	68.9	Low	57.2	Low	61 Å²	61	135.3 Å²	135.3	43%	0.427	68%	0.68	S	S	.	*			trans	-60.3	145.6	172.2	168.4	0	0	0	0	110.1	R4 I8 Q9 L10	R4-S6 PolarHBondContact O-N 3.26Å; S6-I8 PolarHBondContact O-N 3.48Å; S6-I8 PolarHBondContact OG-N 2.9Å; S6-Q9 WeakPolarHBondContact O-CB 3.13Å; S6-Q9 PolarHBondContact O-N 3.12Å; S6-L10 PolarHBondContact O-N 3.21Å
7	R	60.6	Low	56.8	Low	232 Å²	232	134.4 Å²	134.4	88%	0.875	68%	0.677	S	S	*	*	H	α-helix	trans	-51.7	-25.1	175.2	-72.7	-175.7	174.9	-173.2	-1.5	112.9	A11	R7-A11 PolarHBondContact O-N 3.48Å; R7-A11 VanDerWaalsContact O-N 3.14Å
8	I	62.2	Low	55.8	Low	117 Å²	117	131.3 Å²	131.3	60%	0.6	67%	0.669	S	S	*	*	H	α-helix	trans	-71	-37	176.4	-59.1	170.5	0	0	0	111.5	S6 A11 L12	S6-I8 PolarHBondContact O-N 3.48Å; S6-I8 PolarHBondContact OG-N 2.9Å; I8-A11 PolarHBondContact O-N 2.91Å; I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 2.81Å
9	Q	63.5	Low	55.2	Low	111 Å²	111	129.9 Å²	129.9	52%	0.519	67%	0.67	S	S	.	*	H	α-helix	trans	-72.4	-34.5	177.5	-71.4	-174.1	-30.9	0	0	112	L5 S6 F13	L5-Q9 HydrophobicContact CD2-CB 4.12Å; L5-Q9 HydrophobicContact CG-CB 4.48Å; S6-Q9 WeakPolarHBondContact O-CB 3.13Å; S6-Q9 PolarHBondContact O-N 3.12Å; Q9-F13 PolarHBondContact O-N 3.38Å; Q9-F13 VanDerWaalsContact O-N 3.15Å
10	L	63	Low	54.9	Low	97 Å²	97	129.8 Å²	129.8	51%	0.508	68%	0.675	S	S	.	*	H	α-helix	trans	-66.4	-37.3	170.4	-100	108.6	0	0	0	112.5	L5 S6 F13 F14	L5-L10 HydrophobicContact CB-CD1 4.09Å; S6-L10 PolarHBondContact O-N 3.21Å; L10-F13 PolarHBondContact O-N 3.25Å; L10-F14 PolarHBondContact O-N 3.3Å; L10-F14 VanDerWaalsContact O-N 3.16Å
11	A	61.7	Low	54.4	Low	52 Å²	52	130.3 Å²	130.3	43%	0.43	68%	0.679	S	S	.	*	H	α-helix	trans	-67.4	-40.5	178	0	0	0	0	0	112.3	R7 I8 F13 F14 I15	R7-A11 PolarHBondContact O-N 3.48Å; R7-A11 VanDerWaalsContact O-N 3.14Å; I8-A11 PolarHBondContact O-N 2.91Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F14 PolarHBondContact O-N 3.07Å; A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.96Å
12	L	60.3	Low	54.7	Low	97 Å²	97	126 Å²	126	51%	0.508	66%	0.659	S	S	.	*	H	α-helix	trans	-65.6	-35.9	174.8	-84.5	157.5	0	0	0	112.5	I8 I15 L16	I8-L12 HydrophobicContact CG2-CD1 4.26Å; I8-L12 PolarHBondContact O-N 2.81Å; L12-I15 PolarHBondContact O-N 3.34Å; L12-L16 PolarHBondContact O-N 3.11Å; L12-L16 VanDerWaalsContact O-N 3.17Å
13	F	62.5	Low	54.9	Low	143 Å²	143	126.6 Å²	126.6	63%	0.627	66%	0.655	S	S	*	*	H	α-helix	trans	-67.1	-35.5	176.6	-145.5	-104.1	0	0	0	112.3	Q9 L10 A11 L16 L17	Q9-F13 PolarHBondContact O-N 3.38Å; Q9-F13 VanDerWaalsContact O-N 3.15Å; L10-F13 PolarHBondContact O-N 3.25Å; A11-F13 VanDerWaalsContact C-N 3.34Å; F13-L16 PolarHBondContact O-N 2.87Å; F13-L17 HydrophobicContact CD1-CD1 3.45Å; F13-L17 VanDerWaalsContact CD1-CD1 3.45Å; F13-L17 HydrophobicContact CE1-CD1 3.39Å; F13-L17 HydrophobicContact CE1-CG 4.46Å; F13-L17 HydrophobicContact CG-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 4.36Å; F13-L17 PolarHBondContact O-N 3.06Å; F13-L17 VanDerWaalsContact O-N 3.15Å
14	F	56.5	Low	54.3	Low	148 Å²	148	125.1 Å²	125.1	65%	0.649	65%	0.649	S	S	*	*	H	α-helix	trans	-70.8	-29.1	173.9	-101.6	-82.5	0	0	0	113.7	L10 A11 C18	L10-F14 PolarHBondContact O-N 3.3Å; L10-F14 VanDerWaalsContact O-N 3.16Å; A11-F14 PolarHBondContact O-N 3.07Å; F14-C18 PolarHBondContact O-N 2.91Å; F14-C18 PolarHBondContact O-SG 3.33Å
15	I	58.5	Low	53.5	Low	127 Å²	127	121.1 Å²	121.1	65%	0.651	65%	0.645	S	S	*	*	H	α-helix	trans	-73.8	-32.1	175	-65.6	166.8	0	0	0	111.1	A11 L12	A11-I15 WeakPolarHBondContact O-CG1 3.29Å; A11-I15 PolarHBondContact O-N 2.96Å; L12-I15 PolarHBondContact O-N 3.34Å
16	L	55.8	Low	52.4	Low	143 Å²	143	127.1 Å²	127.1	75%	0.749	66%	0.661	S	S	*	*	H	α-helix	trans	-82.9	-20.7	179.2	-88.8	149.8	0	0	0	114.6	L12 F13	L12-L16 PolarHBondContact O-N 3.11Å; L12-L16 VanDerWaalsContact O-N 3.17Å; F13-L16 PolarHBondContact O-N 2.87Å
17	L	49.9	Very low	50.6	Low	120 Å²	120	135.8 Å²	135.8	63%	0.628	68%	0.684	S	S	*	*	H	α-helix	trans	-99.9	-6.1	179	-80.4	166.9	0	0	0	114.7	F13 P19	F13-L17 HydrophobicContact CD1-CD1 3.45Å; F13-L17 VanDerWaalsContact CD1-CD1 3.45Å; F13-L17 HydrophobicContact CE1-CD1 3.39Å; F13-L17 HydrophobicContact CE1-CG 4.46Å; F13-L17 HydrophobicContact CG-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 4.36Å; F13-L17 PolarHBondContact O-N 3.06Å; F13-L17 VanDerWaalsContact O-N 3.15Å; L17-P19 VanDerWaalsContact O-CD 3.24Å; L17-P19 WeakPolarHBondContact O-CD 3.34Å
18	C	40.2	Very low	49.2	Very low	79 Å²	79	128.3 Å²	128.3	53%	0.534	67%	0.672	S	S	.	*	S	Bend	trans	-75	113.4	166.9	-82.3	0	0	0	0	108.2	F14 V20	F14-C18 PolarHBondContact O-N 2.91Å; F14-C18 PolarHBondContact O-SG 3.33Å; C18-V20 PolarHBondContact O-N 3.22Å; C18-V20 VanDerWaalsContact O-N 3.08Å
19	P	43.8	Very low	47.8	Very low	105 Å²	105	128.2 Å²	128.2	68%	0.682	68%	0.677	S	S	*	*			trans	-55.7	126	169.8	24.3	-30.9	0	0	0	106.8	L17 N21	L17-P19 VanDerWaalsContact O-CD 3.24Å; L17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-N21 PolarHBondContact O-N 3.27Å
20	V	48	Very low	46.6	Very low	128 Å²	128	125 Å²	125	78%	0.776	67%	0.674	S	S	*	*			trans	-60.4	80	-178.6	-162.5	0	0	0	0	108.6	C18 I23	C18-V20 PolarHBondContact O-N 3.22Å; C18-V20 VanDerWaalsContact O-N 3.08Å; V20-I23 HydrophobicContact CG1-CD1 4.44Å
21	N	44.7	Very low	45.8	Very low	141 Å²	141	121.2 Å²	121.2	75%	0.754	66%	0.655	S	S	*	*			trans	-116.1	25.4	-177.9	-119.6	-20.6	0	0	0	111.2	P19	P19-N21 PolarHBondContact O-N 3.27Å
22	I	48.1	Very low	45.1	Very low	158 Å²	158	121.3 Å²	121.3	81%	0.81	65%	0.651	S	S	*	*	S	Bend	trans	-124.6	40.1	172.7	-44.7	-176	0	0	0	110.2
23	I	45.6	Very low	44.7	Very low	158 Å²	158	117.2 Å²	117.2	81%	0.81	63%	0.63	S	S	*	*	S	Bend	trans	-138.1	62.6	159.6	-46.7	176.5	0	0	0	107.9	V20	V20-I23 HydrophobicContact CG1-CD1 4.44Å
24	G	35.9	Very low	44.3	Very low	59 Å²	59	114.8 Å²	114.8	61%	0.608	63%	0.627	S	S	*	*			trans	-146.7	1.9	178.8	0	0	0	0	0	114.9	W26	G24-W26 PolarHBondContact O-N 3.24Å
25	L	37.5	Very low	44.6	Very low	163 Å²	163	109 Å²	109	85%	0.853	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	16.8	-176.4	-107.1	109.3	0	0	0	114.7
26	W	32.5	Very low	44.8	Very low	231 Å²	231	105.5 Å²	105.5	88%	0.875	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	15.6	-176.3	-87.7	55.5	0	0	0	115.1	G24	G24-W26 PolarHBondContact O-N 3.24Å
27	W	31.1	Very low	45.2	Very low	242 Å²	242	99.9 Å²	99.9	92%	0.917	56%	0.557	S	S	*	*	S	Bend	trans	-136.5	75.1	174.8	-60.2	102	0	0	0	112.1
28	A	31.3	Very low	46	Very low	76 Å²	76	99.3 Å²	99.3	63%	0.628	55%	0.554	S	S	*	*			trans	-162	41	157.3	0	0	0	0	0	113.1	G30	A28-G30 PolarHBondContact O-N 2.85Å
29	V	33.8	Very low	47.3	Very low	114 Å²	114	97.4 Å²	97.4	69%	0.691	54%	0.542	S	S	*	.			trans	-76.1	74.2	164.3	-168.8	0	0	0	0	107.7	S31	V29-S31 PolarHBondContact O-N 3.31Å
30	G	38.7	Very low	48.4	Very low	45 Å²	45	93.5 Å²	93.5	46%	0.464	52%	0.515	S	S	.	.			trans	-65.6	129.5	165.1	0	0	0	0	0	108.1	A28	A28-G30 PolarHBondContact O-N 2.85Å
31	S	45	Very low	49.6	Very low	17 Å²	17	88.5 Å²	88.5	12%	0.119	49%	0.485	C	S	.	.			trans	-51	131	174.6	-54.3	0	0	0	0	109.6	V29 L33 V34 G95	V29-S31 PolarHBondContact O-N 3.31Å; S31-L33 PolarHBondContact O-N 3.19Å; S31-V34 PolarHBondContact O-N 3.11Å; S31-V34 VanDerWaalsContact O-N 3.09Å; S31-G95 WeakPolarHBondContact OG-CA 3.15Å; S31-G95 PolarHBondContact OG-N 3.4Å; S31-G95 VanDerWaalsContact OG-N 3.11Å
32	P	46.7	Very low	50.8	Low	53 Å²	53	89.4 Å²	89.4	34%	0.344	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	0.9	-174.2	20.8	-31.1	0	0	0	115.4	M35 L98	P32-M35 WeakPolarHBondContact O-CE 3.29Å; P32-L98 HydrophobicContact CG-CB 4.42Å; P32-L98 HydrophobicContact CG-CD1 4.08Å
33	L	52.6	Low	51.5	Low	12 Å²	12	86.1 Å²	86.1	6%	0.063	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-2.8	-179	-61.7	175.7	0	0	0	114.1	S31 M35 F94 L98 V108 T112	S31-L33 PolarHBondContact O-N 3.19Å; L33-M35 PolarHBondContact O-N 3.35Å; L33-F94 HydrophobicContact CB-CE1 4.1Å; L33-F94 HydrophobicContact CD1-CE1 3.86Å; L33-F94 HydrophobicContact CD1-CZ 4.06Å; L33-L98 HydrophobicContact CB-CD1 4.12Å; L33-L98 HydrophobicContact CD1-CD1 3.42Å; L33-L98 VanDerWaalsContact CD1-CD1 3.42Å; L33-L98 HydrophobicContact CD1-CD2 3.45Å; L33-L98 VanDerWaalsContact CD1-CD2 3.45Å; L33-L98 HydrophobicContact CD1-CG 4.05Å; L33-L98 HydrophobicContact CG-CD1 3.71Å; L33-L98 HydrophobicContact CG-CD2 4.47Å; L33-V108 HydrophobicContact CD1-CB 4.4Å; L33-V108 HydrophobicContact CD1-CG1 2.99Å; L33-V108 HydrophobicContact CG-CG1 4.36Å; L33-T112 HydrophobicContact CD2-CG2 3.83Å
34	V	53.9	Low	52.2	Low	92 Å²	92	79.1 Å²	79.1	56%	0.558	42%	0.423	S	S	*	.			trans	-80.8	78.2	164.3	-175.9	0	0	0	0	106.8	S31 D36	S31-V34 PolarHBondContact O-N 3.11Å; S31-V34 VanDerWaalsContact O-N 3.09Å; V34-D36 VanDerWaalsContact C-N 3.31Å; V34-D36 PolarHBondContact O-N 2.66Å
35	M	62.2	Low	53.2	Low	26 Å²	26	83.9 Å²	83.9	13%	0.128	43%	0.428	C	S	.	.			trans	-79	81	178.4	-60.1	-66	-169.1	0	0	108.9	P32 L33 I40 A66 A69 R70 F176	P32-M35 WeakPolarHBondContact O-CE 3.29Å; L33-M35 PolarHBondContact O-N 3.35Å; M35-I40 HydrophobicContact CB-CD1 3.71Å; M35-I40 HydrophobicContact CG-CD1 4.29Å; M35-I40 HydrophobicContact SD-CD1 3.74Å; M35-I40 HydrophobicContact SD-CG1 4.36Å; M35-A66 HydrophobicContact CB-CB 4.22Å; M35-A66 VanDerWaalsContact O-CB 3.31Å; M35-A66 WeakPolarHBondContact O-CB 3.37Å; M35-A69 HydrophobicContact CB-CB 3.82Å; M35-A69 HydrophobicContact CG-CB 3.45Å; M35-A69 VanDerWaalsContact CG-CB 3.45Å; M35-R70 PolarHBondContact O-NH2 3.06Å; M35-F176 HydrophobicContact CE-CE1 4.25Å; M35-F176 HydrophobicContact SD-CE1 4.15Å
36	D	63.4	Low	54.2	Low	53 Å²	53	87 Å²	87	28%	0.283	43%	0.428	S	S	.	.			trans	-88.7	117.7	163	166.1	31.1	0	0	0	108.4	V34 N38 S39 I40	V34-D36 VanDerWaalsContact C-N 3.31Å; V34-D36 PolarHBondContact O-N 2.66Å; D36-N38 PolarHBondContact O-N 2.02Å; D36-N38 VanDerWaalsContact O-N 3.16Å; D36-N38 PolarHBondContact OD1-N 3.29Å; D36-S39 PolarHBondContact O-N 3.09Å; D36-S39 VanDerWaalsContact O-N 3.07Å; D36-S39 VanDerWaalsContact OD2-CB 3.27Å; D36-S39 WeakPolarHBondContact OD2-CB 3.46Å; D36-S39 PolarHBondContact OD2-N 3.39Å; D36-I40 WeakPolarHBondContact O-CD1 3.19Å; D36-I40 VanDerWaalsContact O-CG1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.49Å; D36-I40 PolarHBondContact O-N 3.42Å
37	P	64.9	Low	55.3	Low	25 Å²	25	81.8 Å²	81.8	16%	0.162	42%	0.417	C	S	.	.	H	α-helix	trans	-49.8	-42.2	-179.1	-27.1	33.1	0	0	0	113	I40 C41 A66	P37-I40 PolarHBondContact O-N 3.31Å; P37-C41 WeakPolarHBondContact O-CB 3.47Å; P37-C41 PolarHBondContact O-N 3.08Å; P37-C41 PolarHBondContact O-SG 3.25Å; P37-C41 VanDerWaalsContact O-SG 3.41Å; P37-A66 HydrophobicContact CG-CB 3.47Å; P37-A66 VanDerWaalsContact CG-CB 3.47Å
38	N	65.6	Low	56.8	Low	108 Å²	108	75.6 Å²	75.6	58%	0.578	42%	0.417	S	S	*	.	H	α-helix	trans	-71.7	-38.7	-177.7	-73	-33.3	0	0	0	111.9	D36 R42	D36-N38 PolarHBondContact O-N 2.02Å; D36-N38 VanDerWaalsContact O-N 3.16Å; D36-N38 PolarHBondContact OD1-N 3.29Å; N38-R42 WeakPolarHBondContact O-CB 3.26Å; N38-R42 WeakPolarHBondContact O-CG 3.04Å; N38-R42 PolarHBondContact O-N 3.26Å; N38-R42 PolarHBondContact O-NE 2.02Å
39	S	69	Low	58.8	Low	39 Å²	39	74.2 Å²	74.2	27%	0.273	41%	0.41	S	S	.	.	H	α-helix	trans	-67.5	-43.6	173.5	-174.9	0	0	0	0	112	D36 K43	D36-S39 PolarHBondContact O-N 3.09Å; D36-S39 VanDerWaalsContact O-N 3.07Å; D36-S39 VanDerWaalsContact OD2-CB 3.27Å; D36-S39 WeakPolarHBondContact OD2-CB 3.46Å; D36-S39 PolarHBondContact OD2-N 3.39Å; S39-K43 WeakPolarHBondContact O-CB 3.24Å; S39-K43 WeakPolarHBondContact O-CG 3.36Å; S39-K43 PolarHBondContact O-N 2.84Å
40	I	66.6	Low	60.9	Low	24 Å²	24	74.9 Å²	74.9	12%	0.123	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-54.7	178.1	-66.5	158.1	0	0	0	109.9	M35 D36 P37 R42 K43 A44 F176	M35-I40 HydrophobicContact CB-CD1 3.71Å; M35-I40 HydrophobicContact CG-CD1 4.29Å; M35-I40 HydrophobicContact SD-CD1 3.74Å; M35-I40 HydrophobicContact SD-CG1 4.36Å; D36-I40 WeakPolarHBondContact O-CD1 3.19Å; D36-I40 VanDerWaalsContact O-CG1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.49Å; D36-I40 PolarHBondContact O-N 3.42Å; P37-I40 PolarHBondContact O-N 3.31Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.27Å; I40-K43 PolarHBondContact O-N 3.25Å; I40-A44 VanDerWaalsContact O-CB 3.23Å; I40-A44 WeakPolarHBondContact O-CB 3.27Å; I40-A44 PolarHBondContact O-N 2.04Å; I40-F176 HydrophobicContact CD1-CZ 4.18Å; I40-F176 HydrophobicContact CG2-CE2 4.33Å; I40-F176 HydrophobicContact CG2-CZ 3.96Å
41	C	71.8	Confident	62.9	Low	22 Å²	22	75.2 Å²	75.2	15%	0.149	39%	0.393	C	S	.	.	H	α-helix	trans	-71.1	-29.4	-175.2	-63.8	0	0	0	0	112.5	P37 K45 C55	P37-C41 WeakPolarHBondContact O-CB 3.47Å; P37-C41 PolarHBondContact O-N 3.08Å; P37-C41 PolarHBondContact O-SG 3.25Å; P37-C41 VanDerWaalsContact O-SG 3.41Å; C41-K45 VanDerWaalsContact O-CG 3.29Å; C41-K45 WeakPolarHBondContact O-CG 3.1Å; C41-K45 PolarHBondContact O-N 3.47Å; C41-C55 WeakPolarHBondContact CA-SG 2.98Å; C41-C55 HydrophobicContact CB-CB 3.62Å; C41-C55 WeakPolarHBondContact CB-SG 3.4Å; C41-C55 WeakPolarHBondContact SG-CB 3.41Å; C41-C55 CovalentContact SG-SG 2.05Å; C41-C55 PolarHBondContact SG-SG 2.97Å
42	R	69.8	Low	64.7	Low	160 Å²	160	74.8 Å²	74.8	60%	0.604	39%	0.391	S	S	*	.	H	α-helix	trans	-67.2	-40.5	169.5	-77.6	-178.7	-73.2	-174.4	-2.9	112.8	N38 I40	N38-R42 WeakPolarHBondContact O-CB 3.26Å; N38-R42 WeakPolarHBondContact O-CG 3.04Å; N38-R42 PolarHBondContact O-N 3.26Å; N38-R42 PolarHBondContact O-NE 2.02Å; I40-R42 VanDerWaalsContact C-N 3.34Å; I40-R42 PolarHBondContact O-N 3.27Å
43	K	64.3	Low	66.4	Low	90 Å²	90	77.8 Å²	77.8	39%	0.391	40%	0.4	S	S	.	.	H	α-helix	trans	-69.7	-38.7	174.5	-74.1	-179.4	-177.4	-174.6	0	111.7	S39 I40 K45 R46	S39-K43 WeakPolarHBondContact O-CB 3.24Å; S39-K43 WeakPolarHBondContact O-CG 3.36Å; S39-K43 PolarHBondContact O-N 2.84Å; I40-K43 PolarHBondContact O-N 3.25Å; K43-K45 VanDerWaalsContact C-N 3.33Å; K43-K45 PolarHBondContact O-N 2.94Å; K43-R46 WeakPolarHBondContact O-CB 3.01Å; K43-R46 PolarHBondContact O-N 3.08Å
44	A	60.1	Low	67.9	Low	10 Å²	10	78 Å²	78	8%	0.083	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-32.7	177.3	0	0	0	0	0	111.7	I40 R46 L47 A52	I40-A44 VanDerWaalsContact O-CB 3.23Å; I40-A44 WeakPolarHBondContact O-CB 3.27Å; I40-A44 PolarHBondContact O-N 2.04Å; A44-R46 PolarHBondContact O-N 2.92Å; A44-L47 CarbonylContact O-C 3.56Å; A44-L47 PolarHBondContact O-N 3.1Å; A44-A52 HydrophobicContact CB-CB 3.87Å; A44-A52 WeakPolarHBondContact O-CB 3.07Å
45	K	56.8	Low	69.4	Low	160 Å²	160	74.5 Å²	74.5	70%	0.696	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.9	169.6	-80.5	178.6	-178.8	-171.1	0	113.9	C41 K43	C41-K45 VanDerWaalsContact O-CG 3.29Å; C41-K45 WeakPolarHBondContact O-CG 3.1Å; C41-K45 PolarHBondContact O-N 3.47Å; K43-K45 VanDerWaalsContact C-N 3.33Å; K43-K45 PolarHBondContact O-N 2.94Å
46	R	58.4	Low	70.5	Confident	229 Å²	229	79.7 Å²	79.7	86%	0.864	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.5	175	-61	-177.5	177.2	179.7	-1.9	113.6	K43 A44	K43-R46 WeakPolarHBondContact O-CB 3.01Å; K43-R46 PolarHBondContact O-N 3.08Å; A44-R46 PolarHBondContact O-N 2.92Å
47	L	55.3	Low	71.7	Confident	121 Å²	121	81.4 Å²	81.4	63%	0.634	42%	0.417	S	S	*	.	S	Bend	trans	-131.1	122.4	-171.8	-73.6	161.5	0	0	0	110.3	A44 A52	A44-L47 CarbonylContact O-C 3.56Å; A44-L47 PolarHBondContact O-N 3.1Å; L47-A52 VanDerWaalsContact O-CB 3.24Å; L47-A52 WeakPolarHBondContact O-CB 3.04Å
48	A	61.8	Low	72.9	Confident	112 Å²	112	82.4 Å²	82.4	93%	0.926	42%	0.419	S	S	*	.			trans	-69	137.5	171	0	0	0	0	0	111.2
49	G	74.3	Confident	74	Confident	46 Å²	46	81 Å²	81	47%	0.474	42%	0.417	S	S	.	.	S	Bend	trans	152	176.4	174.1	0	0	0	0	0	114.7	Q51 A52 E53	G49-Q51 VanDerWaalsContact C-N 3.28Å; G49-Q51 PolarHBondContact O-N 3.47Å; G49-A52 WeakPolarHBondContact O-CB 3.35Å; G49-A52 PolarHBondContact O-N 3.02Å; G49-E53 PolarHBondContact O-N 3.36Å; G49-E53 VanDerWaalsContact O-N 3.11Å
50	K	77.8	Confident	75.1	Confident	128 Å²	128	83.6 Å²	83.6	56%	0.557	42%	0.424	S	S	*	.	H	α-helix	trans	-58.5	-33.3	-175	-66.8	-173.5	175.9	-172.7	0	114.4	E53 L54 A179	K50-E53 PolarHBondContact O-N 2.88Å; K50-L54 WeakPolarHBondContact O-CG 3.33Å; K50-L54 PolarHBondContact O-N 2.82Å; K50-A179 HydrophobicContact CB-CB 4.02Å
51	Q	81.2	Confident	76.3	Confident	52 Å²	52	82.6 Å²	82.6	24%	0.243	42%	0.419	C	S	.	.	H	α-helix	trans	-66.5	-37.5	175.2	-79.8	173	-21.2	0	0	112.3	G49 C55 F176 A179	G49-Q51 VanDerWaalsContact C-N 3.28Å; G49-Q51 PolarHBondContact O-N 3.47Å; Q51-C55 WeakPolarHBondContact O-CB 3.36Å; Q51-C55 PolarHBondContact O-N 2.87Å; Q51-C55 VanDerWaalsContact O-N 3.09Å; Q51-C55 PolarHBondContact O-SG 2.78Å; Q51-F176 HydrophobicContact CG-CD2 4.26Å; Q51-F176 HydrophobicContact CG-CE2 4.33Å; Q51-F176 WeakPolarHBondContact CG-O 3.07Å; Q51-F176 PolarHBondContact NE2-O 3.03Å; Q51-A179 HydrophobicContact CG-CB 3.62Å
52	A	81.8	Confident	77.2	Confident	9 Å²	9	81.7 Å²	81.7	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-70.9	-39.1	177.2	0	0	0	0	0	111.5	A44 L47 G49 C55 Q56	A44-A52 HydrophobicContact CB-CB 3.87Å; A44-A52 WeakPolarHBondContact O-CB 3.07Å; L47-A52 VanDerWaalsContact O-CB 3.24Å; L47-A52 WeakPolarHBondContact O-CB 3.04Å; G49-A52 WeakPolarHBondContact O-CB 3.35Å; G49-A52 PolarHBondContact O-N 3.02Å; A52-C55 WeakPolarHBondContact O-CB 3.17Å; A52-C55 PolarHBondContact O-N 3.1Å; A52-Q56 WeakPolarHBondContact O-CG 3.4Å; A52-Q56 PolarHBondContact O-N 3.42Å; A52-Q56 VanDerWaalsContact O-N 3.11Å
53	E	83.7	Confident	78.3	Confident	116 Å²	116	76.1 Å²	76.1	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-58.3	-52.9	173.1	-173.2	-176.2	169.1	0	0	111	G49 K50 C55 Q56 T57	G49-E53 PolarHBondContact O-N 3.36Å; G49-E53 VanDerWaalsContact O-N 3.11Å; K50-E53 PolarHBondContact O-N 2.88Å; E53-C55 VanDerWaalsContact C-N 3.29Å; E53-C55 PolarHBondContact O-N 3.13Å; E53-Q56 PolarHBondContact O-N 3.06Å; E53-T57 HydrophobicContact CG-CG2 4.36Å; E53-T57 PolarHBondContact O-N 2.77Å; E53-T57 PolarHBondContact O-OG1 3.18Å
54	L	84.3	Confident	79.7	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.089	38%	0.383	C	S	.	.	H	α-helix	trans	-57.6	-40.2	176.8	-74.1	171.1	0	0	0	112.7	K50 Q56 Q58 V62 K175 F176	K50-L54 WeakPolarHBondContact O-CG 3.33Å; K50-L54 PolarHBondContact O-N 2.82Å; L54-Q56 PolarHBondContact O-N 3.06Å; L54-Q58 CarbonylContact O-C 3.58Å; L54-Q58 WeakPolarHBondContact O-CA 3.39Å; L54-Q58 PolarHBondContact O-N 2.8Å; L54-V62 HydrophobicContact CB-CG2 4.22Å; L54-K175 HydrophobicContact CD1-CB 4.2Å; L54-F176 HydrophobicContact CD1-CB 4.09Å; L54-F176 HydrophobicContact CD1-CD2 4.03Å
55	C	85.4	Confident	81.3	Confident	18 Å²	18	72.2 Å²	72.2	12%	0.122	38%	0.38	C	S	.	.	H	α-helix	trans	-63.6	-26.9	175.7	-86.4	0	0	0	0	113.9	C41 Q51 A52 E53	C41-C55 WeakPolarHBondContact CA-SG 2.98Å; C41-C55 HydrophobicContact CB-CB 3.62Å; C41-C55 WeakPolarHBondContact CB-SG 3.4Å; C41-C55 WeakPolarHBondContact SG-CB 3.41Å; C41-C55 CovalentContact SG-SG 2.05Å; C41-C55 PolarHBondContact SG-SG 2.97Å; Q51-C55 WeakPolarHBondContact O-CB 3.36Å; Q51-C55 PolarHBondContact O-N 2.87Å; Q51-C55 VanDerWaalsContact O-N 3.09Å; Q51-C55 PolarHBondContact O-SG 2.78Å; A52-C55 WeakPolarHBondContact O-CB 3.17Å; A52-C55 PolarHBondContact O-N 3.1Å; E53-C55 VanDerWaalsContact C-N 3.29Å; E53-C55 PolarHBondContact O-N 3.13Å
56	Q	85.3	Confident	82.9	Confident	135 Å²	135	64.6 Å²	64.6	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-90	-39.8	179.3	-70.1	173.6	11.3	0	0	111.8	A52 E53 L54	A52-Q56 WeakPolarHBondContact O-CG 3.4Å; A52-Q56 PolarHBondContact O-N 3.42Å; A52-Q56 VanDerWaalsContact O-N 3.11Å; E53-Q56 PolarHBondContact O-N 3.06Å; L54-Q56 PolarHBondContact O-N 3.06Å
57	T	88.3	Confident	84.6	Confident	89 Å²	89	57.8 Å²	57.8	55%	0.546	32%	0.324	S	S	.	.	H	α-helix	trans	-92.9	-29.8	-172.6	59.4	0	0	0	0	113.3	E53	E53-T57 HydrophobicContact CG-CG2 4.36Å; E53-T57 PolarHBondContact O-N 2.77Å; E53-T57 PolarHBondContact O-OG1 3.18Å
58	Q	89.9	Confident	86.6	Confident	45 Å²	45	52 Å²	52	21%	0.21	29%	0.294	C	S	.	.			trans	-141.7	60.6	-171.3	-60.5	-176	-55.9	0	0	112.4	L54 E60 I61 V62	L54-Q58 CarbonylContact O-C 3.58Å; L54-Q58 WeakPolarHBondContact O-CA 3.39Å; L54-Q58 PolarHBondContact O-N 2.8Å; Q58-E60 VanDerWaalsContact C-N 3.3Å; Q58-E60 PolarHBondContact O-N 3.21Å; Q58-I61 HydrophobicContact CB-CB 4.2Å; Q58-I61 HydrophobicContact CB-CD1 3.95Å; Q58-I61 HydrophobicContact CB-CG1 4.17Å; Q58-I61 HydrophobicContact CG-CD1 4.21Å; Q58-I61 PolarHBondContact O-N 2.97Å; Q58-V62 PolarHBondContact O-N 3.43Å
59	P	89.3	Confident	88.1	Confident	80 Å²	80	46.8 Å²	46.8	52%	0.519	25%	0.25	S	C	.	.	H	α-helix	trans	-63.4	-31.2	-176.6	26.1	-35.1	0	0	0	113.8	V62 S63	P59-V62 PolarHBondContact O-N 3.05Å; P59-S63 PolarHBondContact O-N 2.92Å
60	E	91.4	Very high	89	Confident	92 Å²	92	50 Å²	50	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-45.1	175.7	-65.4	175.1	172.7	0	0	111.4	Q58 V62 S63 E64 L129 Q131	Q58-E60 VanDerWaalsContact C-N 3.3Å; Q58-E60 PolarHBondContact O-N 3.21Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.5Å; E60-S63 VanDerWaalsContact O-CB 3.29Å; E60-S63 WeakPolarHBondContact O-CB 3.46Å; E60-S63 PolarHBondContact O-N 2.92Å; E60-S63 VanDerWaalsContact O-N 3.11Å; E60-E64 PolarHBondContact O-N 3.05Å; E60-L129 HydrophobicContact CB-CD2 3.93Å; E60-Q131 PolarHBondContact OE2-NE2 3.07Å; E60-Q131 VanDerWaalsContact OE2-NE2 3.15Å
61	I	92	Very high	89.8	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-39.2	175.4	-60.6	-177.2	0	0	0	110.4	Q58 S63 E64 V65 L129 Q131 F168 M172	Q58-I61 HydrophobicContact CB-CB 4.2Å; Q58-I61 HydrophobicContact CB-CD1 3.95Å; Q58-I61 HydrophobicContact CB-CG1 4.17Å; Q58-I61 HydrophobicContact CG-CD1 4.21Å; Q58-I61 PolarHBondContact O-N 2.97Å; I61-S63 VanDerWaalsContact C-N 3.28Å; I61-S63 PolarHBondContact O-N 3.25Å; I61-E64 PolarHBondContact O-N 3.16Å; I61-E64 VanDerWaalsContact O-N 3.14Å; I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.03Å; I61-V65 PolarHBondContact O-N 2.05Å; I61-L129 HydrophobicContact CG1-CD1 4.36Å; I61-L129 HydrophobicContact CG1-CD2 4.2Å; I61-Q131 HydrophobicContact CD1-CB 4.36Å; I61-Q131 HydrophobicContact CD1-CG 4.4Å; I61-F168 HydrophobicContact CD1-CE1 4.33Å; I61-F168 HydrophobicContact CD1-CZ 3.87Å; I61-M172 HydrophobicContact CD1-SD 4.24Å; I61-M172 HydrophobicContact CG2-CB 4.28Å; I61-M172 HydrophobicContact CG2-CG 4.08Å; I61-M172 HydrophobicContact CG2-SD 4.23Å
62	V	90.6	Very high	90.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-32.9	177.8	179.4	0	0	0	0	112	L54 Q58 P59 E60 V65 A66 F176	L54-V62 HydrophobicContact CB-CG2 4.22Å; Q58-V62 PolarHBondContact O-N 3.43Å; P59-V62 PolarHBondContact O-N 3.05Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.5Å; V62-V65 PolarHBondContact O-N 2.88Å; V62-A66 PolarHBondContact O-N 3.46Å; V62-F176 HydrophobicContact CG1-CE2 4.12Å; V62-F176 HydrophobicContact CG2-CE2 4.35Å
63	S	91.9	Very high	91.1	Very high	43 Å²	43	43.3 Å²	43.3	30%	0.301	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-46.4	170.8	173.6	0	0	0	0	111.3	P59 E60 I61 V65 A66 K67	P59-S63 PolarHBondContact O-N 2.92Å; E60-S63 VanDerWaalsContact O-CB 3.29Å; E60-S63 WeakPolarHBondContact O-CB 3.46Å; E60-S63 PolarHBondContact O-N 2.92Å; E60-S63 VanDerWaalsContact O-N 3.11Å; I61-S63 VanDerWaalsContact C-N 3.28Å; I61-S63 PolarHBondContact O-N 3.25Å; S63-V65 PolarHBondContact O-N 3.46Å; S63-A66 WeakPolarHBondContact O-CB 3.41Å; S63-A66 PolarHBondContact O-N 3.09Å; S63-A66 VanDerWaalsContact O-N 3.16Å; S63-K67 PolarHBondContact O-N 3Å
64	E	94.9	Very high	91.7	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-36.9	178.3	-60.8	-44.6	110.5	0	0	112.5	E60 I61 A66 K67 G68 V120 A123 L129	E60-E64 PolarHBondContact O-N 3.05Å; I61-E64 PolarHBondContact O-N 3.16Å; I61-E64 VanDerWaalsContact O-N 3.14Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.29Å; E64-K67 PolarHBondContact O-N 2.96Å; E64-K67 WeakPolarHBondContact OE1-CE 3.41Å; E64-K67 IonicContact OE1-NZ 2.66Å; E64-K67 PolarHBondContact OE1-NZ 3.5Å; E64-K67 VanDerWaalsContact OE2-CD 3.27Å; E64-K67 WeakPolarHBondContact OE2-CD 3.25Å; E64-K67 IonicContact OE2-NZ 3.06Å; E64-K67 PolarHBondContact OE2-NZ 3.11Å; E64-G68 PolarHBondContact O-N 3.41Å; E64-V120 HydrophobicContact CB-CG2 3.98Å; E64-A123 HydrophobicContact CB-CB 4.48Å; E64-A123 HydrophobicContact CG-CB 3.75Å; E64-L129 HydrophobicContact CG-CD1 4.21Å; E64-L129 HydrophobicContact CG-CD2 4.05Å; E64-L129 HydrophobicContact CG-CG 4.32Å
65	V	93	Very high	92.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-44.7	171.1	169.2	0	0	0	0	110.9	I61 V62 S63 G68 A69 V116 V120 F176	I61-V65 HydrophobicContact CG2-CG2 4.3Å; I61-V65 VanDerWaalsContact O-CG2 3.27Å; I61-V65 WeakPolarHBondContact O-CG2 3.03Å; I61-V65 PolarHBondContact O-N 2.05Å; V62-V65 PolarHBondContact O-N 2.88Å; S63-V65 PolarHBondContact O-N 3.46Å; V65-G68 PolarHBondContact O-N 2.83Å; V65-A69 PolarHBondContact O-N 2.98Å; V65-V116 HydrophobicContact CB-CG1 4.17Å; V65-V116 HydrophobicContact CG1-CG1 3.97Å; V65-V116 HydrophobicContact CG1-CG2 4Å; V65-V116 HydrophobicContact CG2-CG1 3.81Å; V65-V120 HydrophobicContact CG2-CG2 4.03Å; V65-F176 HydrophobicContact CG1-CB 4.5Å; V65-F176 HydrophobicContact CG1-CD1 3.47Å; V65-F176 VanDerWaalsContact CG1-CD1 3.47Å; V65-F176 HydrophobicContact CG1-CD2 4.21Å; V65-F176 HydrophobicContact CG1-CE1 3.52Å; V65-F176 HydrophobicContact CG1-CE2 4.26Å; V65-F176 HydrophobicContact CG1-CG 3.81Å; V65-F176 HydrophobicContact CG1-CZ 3.91Å; V65-F176 HydrophobicContact CG2-CG 4.48Å
66	A	91.3	Very high	93	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-40	177.2	0	0	0	0	0	112.8	M35 P37 V62 S63 E64 G68 A69 R70	M35-A66 HydrophobicContact CB-CB 4.22Å; M35-A66 VanDerWaalsContact O-CB 3.31Å; M35-A66 WeakPolarHBondContact O-CB 3.37Å; P37-A66 HydrophobicContact CG-CB 3.47Å; P37-A66 VanDerWaalsContact CG-CB 3.47Å; V62-A66 PolarHBondContact O-N 3.46Å; S63-A66 WeakPolarHBondContact O-CB 3.41Å; S63-A66 PolarHBondContact O-N 3.09Å; S63-A66 VanDerWaalsContact O-N 3.16Å; E64-A66 VanDerWaalsContact C-N 3.32Å; E64-A66 PolarHBondContact O-N 3.29Å; A66-G68 VanDerWaalsContact C-N 3.32Å; A66-A69 PolarHBondContact O-N 3.33Å; A66-R70 WeakPolarHBondContact O-CG 3.12Å; A66-R70 PolarHBondContact O-N 3.42Å; A66-R70 VanDerWaalsContact O-N 3.12Å
67	K	93.8	Very high	93.5	Very high	86 Å²	86	39.8 Å²	39.8	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-44.3	172.5	-70.6	179.4	-170.8	164.5	0	110.8	S63 E64 R70 L71 E128	S63-K67 PolarHBondContact O-N 3Å; E64-K67 PolarHBondContact O-N 2.96Å; E64-K67 WeakPolarHBondContact OE1-CE 3.41Å; E64-K67 IonicContact OE1-NZ 2.66Å; E64-K67 PolarHBondContact OE1-NZ 3.5Å; E64-K67 VanDerWaalsContact OE2-CD 3.27Å; E64-K67 WeakPolarHBondContact OE2-CD 3.25Å; E64-K67 IonicContact OE2-NZ 3.06Å; E64-K67 PolarHBondContact OE2-NZ 3.11Å; K67-R70 PolarHBondContact O-N 3.48Å; K67-L71 PolarHBondContact O-N 3.39Å; K67-E128 IonicContact NZ-OE2 3.71Å
68	G	96.3	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-40.6	177.6	0	0	0	0	0	113.8	E64 V65 A66 R70 L71 G72 G115	E64-G68 PolarHBondContact O-N 3.41Å; V65-G68 PolarHBondContact O-N 2.83Å; A66-G68 VanDerWaalsContact C-N 3.32Å; G68-R70 VanDerWaalsContact C-N 3.35Å; G68-R70 PolarHBondContact O-N 3.47Å; G68-L71 WeakPolarHBondContact O-CB 3.24Å; G68-L71 PolarHBondContact O-N 2.84Å; G68-G72 PolarHBondContact O-N 3.24Å; G68-G115 VanDerWaalsContact CA-C 3.47Å; G68-G115 WeakPolarHBondContact CA-O 3.38Å; G68-G115 CarbonylContact O-C 3.46Å; G68-G115 WeakPolarHBondContact O-CA 3.31Å
69	A	93.6	Very high	94.3	Very high	1 Å²	1	38 Å²	38	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-40.7	173.8	0	0	0	0	0	112.2	M35 V65 A66 G72 V73 T112 V116	M35-A69 HydrophobicContact CB-CB 3.82Å; M35-A69 HydrophobicContact CG-CB 3.45Å; M35-A69 VanDerWaalsContact CG-CB 3.45Å; V65-A69 PolarHBondContact O-N 2.98Å; A66-A69 PolarHBondContact O-N 3.33Å; A69-G72 PolarHBondContact O-N 3.16Å; A69-V73 WeakPolarHBondContact O-CG2 3.27Å; A69-V73 PolarHBondContact O-N 3.03Å; A69-T112 HydrophobicContact CB-CG2 3.86Å; A69-V116 HydrophobicContact CB-CG2 4.42Å
70	R	92.8	Very high	94.6	Very high	115 Å²	115	34.3 Å²	34.3	43%	0.434	15%	0.152	S	C	.	.	H	α-helix	trans	-65.4	-38.8	174.3	-66.9	173.1	-159.4	155	5.7	112	M35 A66 K67 G68 G72 V73 R74	M35-R70 PolarHBondContact O-NH2 3.06Å; A66-R70 WeakPolarHBondContact O-CG 3.12Å; A66-R70 PolarHBondContact O-N 3.42Å; A66-R70 VanDerWaalsContact O-N 3.12Å; K67-R70 PolarHBondContact O-N 3.48Å; G68-R70 VanDerWaalsContact C-N 3.35Å; G68-R70 PolarHBondContact O-N 3.47Å; R70-G72 VanDerWaalsContact C-N 3.34Å; R70-V73 PolarHBondContact O-N 2.87Å; R70-R74 WeakPolarHBondContact O-CG 3.01Å; R70-R74 PolarHBondContact O-N 3.14Å
71	L	96.3	Very high	94.8	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.188	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-48	173.3	175	63.2	0	0	0	110.6	K67 G68 V73 R74 E75 F233	K67-L71 PolarHBondContact O-N 3.39Å; G68-L71 WeakPolarHBondContact O-CB 3.24Å; G68-L71 PolarHBondContact O-N 2.84Å; L71-V73 PolarHBondContact O-N 3.32Å; L71-R74 PolarHBondContact O-N 3.45Å; L71-E75 PolarHBondContact O-N 3.08Å; L71-F233 HydrophobicContact CD1-CD1 3.72Å; L71-F233 HydrophobicContact CD1-CE1 4.16Å; L71-F233 HydrophobicContact CD1-CG 4.26Å; L71-F233 HydrophobicContact CD2-CD1 4.02Å; L71-F233 HydrophobicContact CD2-CD2 4.1Å; L71-F233 HydrophobicContact CD2-CE1 4.24Å; L71-F233 HydrophobicContact CD2-CE2 4.35Å; L71-F233 HydrophobicContact CD2-CG 3.93Å; L71-F233 HydrophobicContact CD2-CZ 4.41Å; L71-F233 HydrophobicContact CG-CD1 3.59Å; L71-F233 HydrophobicContact CG-CE1 3.63Å; L71-F233 HydrophobicContact CG-CG 4.05Å; L71-F233 HydrophobicContact CG-CZ 4.15Å
72	G	96.8	Very high	94.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.8	-45	175.7	0	0	0	0	0	113.4	G68 A69 R70 E75 C76 I111	G68-G72 PolarHBondContact O-N 3.24Å; A69-G72 PolarHBondContact O-N 3.16Å; R70-G72 VanDerWaalsContact C-N 3.34Å; G72-E75 PolarHBondContact O-N 2.93Å; G72-C76 WeakPolarHBondContact O-CB 3.32Å; G72-C76 PolarHBondContact O-N 3.32Å; G72-I111 WeakPolarHBondContact CA-O 3.15Å
73	V	93.6	Very high	95	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-40.3	178	171.4	0	0	0	0	112.3	A69 R70 L71 E75 C76 Q77 S89	A69-V73 WeakPolarHBondContact O-CG2 3.27Å; A69-V73 PolarHBondContact O-N 3.03Å; R70-V73 PolarHBondContact O-N 2.87Å; L71-V73 PolarHBondContact O-N 3.32Å; V73-E75 VanDerWaalsContact C-N 3.34Å; V73-C76 WeakPolarHBondContact O-CB 3.44Å; V73-C76 PolarHBondContact O-N 3.42Å; V73-Q77 WeakPolarHBondContact O-CG 3.24Å; V73-Q77 PolarHBondContact O-N 2.92Å; V73-S89 WeakPolarHBondContact CG1-OG 3.48Å
74	R	95.6	Very high	95.2	Very high	146 Å²	146	44.2 Å²	44.2	55%	0.551	18%	0.179	S	C	*	.	H	α-helix	trans	-63.1	-42.3	175.4	-75.6	-169.9	-60.4	-105.4	0.4	111.6	R70 L71 C76 Q77 Y78	R70-R74 WeakPolarHBondContact O-CG 3.01Å; R70-R74 PolarHBondContact O-N 3.14Å; L71-R74 PolarHBondContact O-N 3.45Å; R74-C76 VanDerWaalsContact C-N 3.32Å; R74-Q77 WeakPolarHBondContact O-CB 3.23Å; R74-Q77 PolarHBondContact O-N 2.89Å; R74-Y78 PolarHBondContact O-N 3.11Å
75	E	98.3	Very high	95.2	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.056	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-35.1	177	-171.3	55.7	-152.6	0	0	111.4	L71 G72 V73 Q77 Y78 Q79 I111 F233 R234	L71-E75 PolarHBondContact O-N 3.08Å; G72-E75 PolarHBondContact O-N 2.93Å; V73-E75 VanDerWaalsContact C-N 3.34Å; E75-Q77 PolarHBondContact O-N 3.3Å; E75-Y78 WeakPolarHBondContact O-CB 3.43Å; E75-Y78 PolarHBondContact O-N 2.99Å; E75-Y78 VanDerWaalsContact O-N 3.17Å; E75-Q79 HydrophobicContact CG-CG 4.34Å; E75-Q79 VanDerWaalsContact O-CG 3.32Å; E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 2.88Å; E75-Q79 PolarHBondContact OE1-NE2 3.41Å; E75-I111 HydrophobicContact CB-CD1 4.35Å; E75-I111 HydrophobicContact CB-CG1 4.22Å; E75-I111 HydrophobicContact CG-CD1 4.04Å; E75-I111 HydrophobicContact CG-CG1 4.37Å; E75-F233 HydrophobicContact CB-CD1 3.83Å; E75-F233 HydrophobicContact CB-CE1 3.5Å; E75-F233 VanDerWaalsContact CB-CE1 3.5Å; E75-F233 HydrophobicContact CG-CD1 3.97Å; E75-F233 HydrophobicContact CG-CE1 3.89Å; E75-R234 VanDerWaalsContact OE1-CD 3.25Å; E75-R234 WeakPolarHBondContact OE1-CD 3.35Å; E75-R234 IonicContact OE1-CZ 3.94Å; E75-R234 IonicContact OE1-NE 3.31Å; E75-R234 PolarHBondContact OE1-NE 3.35Å; E75-R234 IonicContact OE2-CZ 3.58Å; E75-R234 IonicContact OE2-NE 3.3Å; E75-R234 PolarHBondContact OE2-NE 3.22Å; E75-R234 VanDerWaalsContact OE2-NE 3.1Å; E75-R234 IonicContact OE2-NH2 2.93Å; E75-R234 PolarHBondContact OE2-NH2 3.31Å
76	C	97.6	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-45.6	171.4	-176	0	0	0	0	112.7	G72 V73 R74 Y78 Q79 F80 C87 F107 I111	G72-C76 WeakPolarHBondContact O-CB 3.32Å; G72-C76 PolarHBondContact O-N 3.32Å; V73-C76 WeakPolarHBondContact O-CB 3.44Å; V73-C76 PolarHBondContact O-N 3.42Å; R74-C76 VanDerWaalsContact C-N 3.32Å; C76-Y78 VanDerWaalsContact C-N 3.28Å; C76-Y78 PolarHBondContact O-N 3.22Å; C76-Q79 PolarHBondContact O-N 3.31Å; C76-F80 WeakPolarHBondContact O-CB 3.07Å; C76-F80 WeakPolarHBondContact O-CD2 3.29Å; C76-F80 PolarHBondContact O-N 2.85Å; C76-C87 HydrophobicContact CB-CB 3.94Å; C76-C87 WeakPolarHBondContact CB-SG 3.26Å; C76-C87 WeakPolarHBondContact SG-CB 3.29Å; C76-C87 CovalentContact SG-SG 2.03Å; C76-C87 PolarHBondContact SG-SG 2.91Å; C76-F107 HydrophobicContact CB-CE1 3.95Å; C76-I111 HydrophobicContact CB-CG2 4.06Å
77	Q	95.9	Very high	95.4	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-60.5	-40.3	174	-71.8	168.9	-6.6	0	0	111.7	V73 R74 E75 R81 C87 S89	V73-Q77 WeakPolarHBondContact O-CG 3.24Å; V73-Q77 PolarHBondContact O-N 2.92Å; R74-Q77 WeakPolarHBondContact O-CB 3.23Å; R74-Q77 PolarHBondContact O-N 2.89Å; E75-Q77 PolarHBondContact O-N 3.3Å; Q77-R81 WeakPolarHBondContact O-CA 3.48Å; Q77-R81 WeakPolarHBondContact O-CB 3.44Å; Q77-R81 PolarHBondContact O-N 2.63Å; Q77-C87 HydrophobicContact CG-CB 4.18Å; Q77-C87 WeakPolarHBondContact CG-O 3.46Å; Q77-C87 PolarHBondContact NE2-O 2.75Å; Q77-S89 PolarHBondContact NE2-OG 3.36Å; Q77-S89 VanDerWaalsContact NE2-OG 3.13Å
78	Y	97.1	Very high	95.1	Very high	82 Å²	82	44.4 Å²	44.4	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-56	174.4	-178.8	-92.9	0	0	0	110.9	R74 E75 C76 F80 R81 R234	R74-Y78 PolarHBondContact O-N 3.11Å; E75-Y78 WeakPolarHBondContact O-CB 3.43Å; E75-Y78 PolarHBondContact O-N 2.99Å; E75-Y78 VanDerWaalsContact O-N 3.17Å; C76-Y78 VanDerWaalsContact C-N 3.28Å; C76-Y78 PolarHBondContact O-N 3.22Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 2.89Å; Y78-R81 WeakPolarHBondContact O-CB 3.27Å; Y78-R81 VanDerWaalsContact O-CD 3.25Å; Y78-R81 WeakPolarHBondContact O-CD 3.32Å; Y78-R81 WeakPolarHBondContact O-CG 3.37Å; Y78-R81 PolarHBondContact O-N 3.41Å; Y78-R81 PolarHBondContact O-NH1 2.92Å; Y78-R234 VanDerWaalsContact CD1-CZ 3.42Å; Y78-R234 VanDerWaalsContact CD1-NE 3.29Å; Y78-R234 VanDerWaalsContact CE1-CD 3.49Å; Y78-R234 PolarHBondContact OH-NH1 3.4Å
79	Q	97.9	Very high	94.3	Very high	15 Å²	15	45.5 Å²	45.5	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-33.7	-176.3	-67.6	-61.5	-17.9	0	0	112.9	E75 C76 F107 D238 L241	E75-Q79 HydrophobicContact CG-CG 4.34Å; E75-Q79 VanDerWaalsContact O-CG 3.32Å; E75-Q79 WeakPolarHBondContact O-CG 3.48Å; E75-Q79 PolarHBondContact O-N 2.88Å; E75-Q79 PolarHBondContact OE1-NE2 3.41Å; C76-Q79 PolarHBondContact O-N 3.31Å; Q79-F107 HydrophobicContact CB-CZ 4.07Å; Q79-F107 HydrophobicContact CG-CZ 4.07Å; Q79-D238 PolarHBondContact NE2-OD1 3.33Å; Q79-L241 HydrophobicContact CB-CD2 4.36Å
80	F	96.7	Very high	93.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	6.2	-177.7	-75.6	-104.6	0	0	0	114.3	C76 Y78 Y82 R83 W85 N86 C87 E104 F107 L241 F244	C76-F80 WeakPolarHBondContact O-CB 3.07Å; C76-F80 WeakPolarHBondContact O-CD2 3.29Å; C76-F80 PolarHBondContact O-N 2.85Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 2.89Å; F80-Y82 PolarHBondContact O-N 3.38Å; F80-R83 HydrophobicContact CD1-CB 4.13Å; F80-R83 HydrophobicContact CD1-CG 4.32Å; F80-R83 PolarHBondContact O-N 2.89Å; F80-W85 HydrophobicContact CB-CE3 4.43Å; F80-W85 AromaticContact CD1-CE3 3.43Å; F80-W85 HydrophobicContact CD1-CE3 3.43Å; F80-W85 VanDerWaalsContact CD1-CE3 3.43Å; F80-W85 AromaticContact CD1-CZ3 3.68Å; F80-W85 HydrophobicContact CD1-CZ3 3.68Å; F80-W85 WeakPolarHBondContact CD1-O 3.45Å; F80-W85 HydrophobicContact CD2-CZ3 4.28Å; F80-W85 AromaticContact CE1-CE3 3.8Å; F80-W85 HydrophobicContact CE1-CE3 3.8Å; F80-W85 AromaticContact CE1-CZ3 3.87Å; F80-W85 HydrophobicContact CE1-CZ3 3.87Å; F80-W85 HydrophobicContact CE2-CZ3 4.47Å; F80-W85 AromaticContact CG-CE3 3.98Å; F80-W85 HydrophobicContact CG-CE3 3.98Å; F80-W85 AromaticContact CG-CZ3 3.9Å; F80-W85 HydrophobicContact CG-CZ3 3.9Å; F80-W85 HydrophobicContact CZ-CZ3 4.27Å; F80-N86 WeakPolarHBondContact O-CA 3.29Å; F80-C87 HydrophobicContact CB-CB 4.33Å; F80-E104 HydrophobicContact CE1-CG 4.35Å; F80-F107 HydrophobicContact CD2-CD1 4.22Å; F80-F107 HydrophobicContact CD2-CE1 4.1Å; F80-F107 HydrophobicContact CE2-CB 4.39Å; F80-F107 AromaticContact CE2-CD1 3.42Å; F80-F107 HydrophobicContact CE2-CD1 3.42Å; F80-F107 VanDerWaalsContact CE2-CD1 3.42Å; F80-F107 HydrophobicContact CE2-CD2 4.07Å; F80-F107 AromaticContact CE2-CE1 3.6Å; F80-F107 HydrophobicContact CE2-CE1 3.6Å; F80-F107 HydrophobicContact CE2-CE2 4.19Å; F80-F107 AromaticContact CE2-CG 3.68Å; F80-F107 HydrophobicContact CE2-CG 3.68Å; F80-F107 AromaticContact CE2-CZ 3.99Å; F80-F107 HydrophobicContact CE2-CZ 3.99Å; F80-F107 HydrophobicContact CZ-CB 4.29Å; F80-F107 HydrophobicContact CZ-CD1 4.13Å; F80-F107 HydrophobicContact CZ-CD2 4.5Å; F80-F107 HydrophobicContact CZ-CG 4.04Å; F80-L241 HydrophobicContact CE2-CD1 3.97Å; F80-L241 HydrophobicContact CZ-CD1 4.17Å; F80-F244 AromaticContact CE1-CE1 3.93Å; F80-F244 HydrophobicContact CE1-CE1 3.93Å; F80-F244 AromaticContact CE1-CE2 3.9Å; F80-F244 HydrophobicContact CE1-CE2 3.9Å; F80-F244 AromaticContact CE1-CZ 3.58Å; F80-F244 HydrophobicContact CE1-CZ 3.58Å; F80-F244 HydrophobicContact CZ-CD1 4.04Å; F80-F244 AromaticContact CZ-CD2 3.85Å; F80-F244 HydrophobicContact CZ-CD2 3.85Å; F80-F244 AromaticContact CZ-CE1 3.89Å; F80-F244 HydrophobicContact CZ-CE1 3.89Å; F80-F244 AromaticContact CZ-CE2 3.66Å; F80-F244 HydrophobicContact CZ-CE2 3.66Å; F80-F244 HydrophobicContact CZ-CG 4.03Å; F80-F244 AromaticContact CZ-CZ 3.7Å; F80-F244 HydrophobicContact CZ-CZ 3.7Å
81	R	94.6	Very high	92.3	Very high	91 Å²	91	50.7 Å²	50.7	34%	0.343	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.7	-173.3	68	-166.4	178.2	-81.8	2.4	115.1	Q77 Y78 R298	Q77-R81 WeakPolarHBondContact O-CA 3.48Å; Q77-R81 WeakPolarHBondContact O-CB 3.44Å; Q77-R81 PolarHBondContact O-N 2.63Å; Y78-R81 WeakPolarHBondContact O-CB 3.27Å; Y78-R81 VanDerWaalsContact O-CD 3.25Å; Y78-R81 WeakPolarHBondContact O-CD 3.32Å; Y78-R81 WeakPolarHBondContact O-CG 3.37Å; Y78-R81 PolarHBondContact O-N 3.41Å; Y78-R81 PolarHBondContact O-NH1 2.92Å; R81-R298 PolarHBondContact O-NH2 2.82Å
82	Y	92.8	Very high	91.4	Very high	106 Å²	106	56.7 Å²	56.7	42%	0.416	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2.5	-180	-57.3	-47.4	0	0	0	114.2	F80	F80-Y82 PolarHBondContact O-N 3.38Å
83	R	94.9	Very high	90.6	Very high	51 Å²	51	58.7 Å²	58.7	19%	0.192	26%	0.255	C	S	.	.	S	Bend	trans	-91.6	155.5	176	-69.4	179.5	175.8	-95.2	4.9	110.7	F80 W85 N245 R298 I307	F80-R83 HydrophobicContact CD1-CB 4.13Å; F80-R83 HydrophobicContact CD1-CG 4.32Å; F80-R83 PolarHBondContact O-N 2.89Å; R83-W85 VanDerWaalsContact C-N 3.28Å; R83-W85 WeakPolarHBondContact CB-O 3.39Å; R83-W85 CarbonylContact O-C 3.52Å; R83-W85 PolarHBondContact O-N 2Å; R83-N245 PolarHBondContact NH2-OD1 3.12Å; R83-R298 VanDerWaalsContact O-CZ 3.24Å; R83-R298 PolarHBondContact O-NH1 3.29Å; R83-R298 PolarHBondContact O-NH2 2.04Å; R83-I307 HydrophobicContact CG-CG2 3.92Å
84	R	95.4	Very high	90.1	Very high	100 Å²	100	58.4 Å²	58.4	38%	0.377	25%	0.253	S	S	.	.	S	Bend	trans	-53	-42.9	178.6	-64.8	173.8	-176.5	166.2	1	112.8	F283 T295 R298 L312 L313 C315	R84-F283 HydrophobicContact CB-CB 3.77Å; R84-T295 HydrophobicContact CB-CG2 3.88Å; R84-T295 HydrophobicContact CG-CG2 4.02Å; R84-R298 VanDerWaalsContact C-NH1 3.34Å; R84-R298 PolarHBondContact O-NH1 2.89Å; R84-L312 PolarHBondContact NE-O 3.36Å; R84-L312 PolarHBondContact NH2-O 3.27Å; R84-L313 HydrophobicContact CG-CD1 4.36Å; R84-C315 PolarHBondContact NE-SG 3.02Å
85	W	95.1	Very high	89.5	Confident	20 Å²	20	51.7 Å²	51.7	8%	0.076	23%	0.23	C	C	.	.	S	Bend	trans	-92.5	123.8	163	-177.3	83	0	0	0	109.7	F80 R83 C87 F94 V97 E104 V108 F283	F80-W85 HydrophobicContact CB-CE3 4.43Å; F80-W85 AromaticContact CD1-CE3 3.43Å; F80-W85 HydrophobicContact CD1-CE3 3.43Å; F80-W85 VanDerWaalsContact CD1-CE3 3.43Å; F80-W85 AromaticContact CD1-CZ3 3.68Å; F80-W85 HydrophobicContact CD1-CZ3 3.68Å; F80-W85 WeakPolarHBondContact CD1-O 3.45Å; F80-W85 HydrophobicContact CD2-CZ3 4.28Å; F80-W85 AromaticContact CE1-CE3 3.8Å; F80-W85 HydrophobicContact CE1-CE3 3.8Å; F80-W85 AromaticContact CE1-CZ3 3.87Å; F80-W85 HydrophobicContact CE1-CZ3 3.87Å; F80-W85 HydrophobicContact CE2-CZ3 4.47Å; F80-W85 AromaticContact CG-CE3 3.98Å; F80-W85 HydrophobicContact CG-CE3 3.98Å; F80-W85 AromaticContact CG-CZ3 3.9Å; F80-W85 HydrophobicContact CG-CZ3 3.9Å; F80-W85 HydrophobicContact CZ-CZ3 4.27Å; R83-W85 VanDerWaalsContact C-N 3.28Å; R83-W85 WeakPolarHBondContact CB-O 3.39Å; R83-W85 CarbonylContact O-C 3.52Å; R83-W85 PolarHBondContact O-N 2Å; W85-C87 HydrophobicContact CE3-CB 4.35Å; W85-C87 HydrophobicContact CH2-CB 3.53Å; W85-C87 WeakPolarHBondContact CH2-SG 3.48Å; W85-C87 HydrophobicContact CZ2-CB 4.06Å; W85-C87 HydrophobicContact CZ3-CB 3.7Å; W85-F94 AromaticContact CZ2-CE2 3.92Å; W85-F94 HydrophobicContact CZ2-CE2 3.92Å; W85-V97 HydrophobicContact CZ2-CG1 4.26Å; W85-E104 HydrophobicContact CB-CG 4.41Å; W85-E104 HydrophobicContact CD2-CB 4.09Å; W85-E104 HydrophobicContact CD2-CG 3.78Å; W85-E104 HydrophobicContact CE3-CB 3.78Å; W85-E104 HydrophobicContact CE3-CG 3.44Å; W85-E104 VanDerWaalsContact CE3-CG 3.44Å; W85-E104 HydrophobicContact CG-CG 4.22Å; W85-E104 HydrophobicContact CH2-CB 4.07Å; W85-E104 HydrophobicContact CZ2-CB 4.35Å; W85-E104 HydrophobicContact CZ3-CB 3.78Å; W85-E104 HydrophobicContact CZ3-CG 3.94Å; W85-V108 HydrophobicContact CH2-CG2 3.47Å; W85-V108 VanDerWaalsContact CH2-CG2 3.47Å; W85-V108 HydrophobicContact CZ2-CG2 4.23Å; W85-V108 HydrophobicContact CZ3-CG2 4.37Å; W85-F283 HydrophobicContact CB-CB 4.34Å; W85-F283 HydrophobicContact CB-CD1 3.85Å; W85-F283 HydrophobicContact CB-CD2 3.73Å; W85-F283 HydrophobicContact CB-CE1 3.99Å; W85-F283 HydrophobicContact CB-CE2 3.86Å; W85-F283 HydrophobicContact CB-CG 3.72Å; W85-F283 HydrophobicContact CB-CZ 3.98Å; W85-F283 AromaticContact CD1-CD1 3.85Å; W85-F283 AromaticContact CD1-CE1 3.48Å; W85-F283 VanDerWaalsContact CD1-CE1 3.48Å; W85-F283 AromaticContact CD1-CZ 3.93Å; W85-F283 HydrophobicContact CG-CD1 4.19Å; W85-F283 AromaticContact CG-CE1 3.94Å; W85-F283 HydrophobicContact CG-CE1 3.94Å; W85-F283 HydrophobicContact CG-CE2 4.34Å; W85-F283 HydrophobicContact CG-CZ 4.01Å
86	N	93.9	Very high	89	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.23	25%	0.247	C	C	.	.			trans	-113.8	16.8	-170.8	72	-10.1	0	0	0	114.5	F80 T88	F80-N86 WeakPolarHBondContact O-CA 3.29Å; N86-T88 PolarHBondContact ND2-OG1 2.04Å; N86-T88 VanDerWaalsContact ND2-OG1 3.13Å; N86-T88 PolarHBondContact O-N 2.85Å; N86-T88 VanDerWaalsContact O-N 3.16Å; N86-T88 WeakPolarHBondContact OD1-CB 3.49Å; N86-T88 PolarHBondContact OD1-N 2.82Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å
87	C	93.6	Very high	88.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.247	C	C	.	.			trans	57.9	26.6	179.8	-155.5	0	0	0	0	115.7	C76 Q77 F80 W85 S89	C76-C87 HydrophobicContact CB-CB 3.94Å; C76-C87 WeakPolarHBondContact CB-SG 3.26Å; C76-C87 WeakPolarHBondContact SG-CB 3.29Å; C76-C87 CovalentContact SG-SG 2.03Å; C76-C87 PolarHBondContact SG-SG 2.91Å; Q77-C87 HydrophobicContact CG-CB 4.18Å; Q77-C87 WeakPolarHBondContact CG-O 3.46Å; Q77-C87 PolarHBondContact NE2-O 2.75Å; F80-C87 HydrophobicContact CB-CB 4.33Å; W85-C87 HydrophobicContact CE3-CB 4.35Å; W85-C87 HydrophobicContact CH2-CB 3.53Å; W85-C87 WeakPolarHBondContact CH2-SG 3.48Å; W85-C87 HydrophobicContact CZ2-CB 4.06Å; W85-C87 HydrophobicContact CZ3-CB 3.7Å; C87-S89 PolarHBondContact O-N 2.03Å; C87-S89 VanDerWaalsContact O-N 3.09Å
88	T	88.6	Confident	88.1	Confident	47 Å²	47	53.3 Å²	53.3	29%	0.288	24%	0.236	S	C	.	.			trans	-63.3	114.1	176.1	-59.7	0	0	0	0	110.9	N86 F94	N86-T88 PolarHBondContact ND2-OG1 2.04Å; N86-T88 VanDerWaalsContact ND2-OG1 3.13Å; N86-T88 PolarHBondContact O-N 2.85Å; N86-T88 VanDerWaalsContact O-N 3.16Å; N86-T88 WeakPolarHBondContact OD1-CB 3.49Å; N86-T88 PolarHBondContact OD1-N 2.82Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å; T88-F94 WeakPolarHBondContact O-CD2 3.44Å
89	S	80.1	Confident	87.7	Confident	23 Å²	23	53.8 Å²	53.8	16%	0.161	24%	0.241	C	C	.	.			trans	-96.2	-17.3	-171.2	60.8	0	0	0	0	114.4	V73 Q77 C87 N91	V73-S89 WeakPolarHBondContact CG1-OG 3.48Å; Q77-S89 PolarHBondContact NE2-OG 3.36Å; Q77-S89 VanDerWaalsContact NE2-OG 3.13Å; C87-S89 PolarHBondContact O-N 2.03Å; C87-S89 VanDerWaalsContact O-N 3.09Å; S89-N91 PolarHBondContact O-N 3.27Å
90	H	73.4	Confident	87.3	Confident	176 Å²	176	54.8 Å²	54.8	82%	0.815	25%	0.246	S	C	*	.	S	Bend	trans	-73.5	-3.7	-178.2	-65.4	-75.4	0	0	0	113.9
91	N	71.1	Confident	87.1	Confident	48 Å²	48	55.5 Å²	55.5	26%	0.257	25%	0.25	S	C	.	.	S	Bend	trans	-95.7	139.7	-178.7	-163	-43.1	0	0	0	111.7	S89 Y93 F94 L293	S89-N91 PolarHBondContact O-N 3.27Å; N91-Y93 PolarHBondContact O-N 2.74Å; N91-Y93 WeakPolarHBondContact OD1-CD2 3.4Å; N91-Y93 PolarHBondContact OD1-N 3.18Å; N91-F94 VanDerWaalsContact O-CB 3.3Å; N91-F94 WeakPolarHBondContact O-CB 3.3Å; N91-F94 PolarHBondContact O-N 2.84Å; N91-L293 HydrophobicContact CB-CD1 4.44Å; N91-L293 HydrophobicContact CB-CD2 4.41Å; N91-L293 WeakPolarHBondContact ND2-CD2 3.38Å
92	K	76	Confident	87.2	Confident	163 Å²	163	51.2 Å²	51.2	71%	0.709	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.7	171.3	67	-175.9	179.4	-172.5	0	114
93	Y	80.6	Confident	87.4	Confident	41 Å²	41	49.6 Å²	49.6	16%	0.161	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	178.4	-60.4	-57	0	0	0	114.3	N91 G95 K96 V97 R288 L293	N91-Y93 PolarHBondContact O-N 2.74Å; N91-Y93 WeakPolarHBondContact OD1-CD2 3.4Å; N91-Y93 PolarHBondContact OD1-N 3.18Å; Y93-G95 PolarHBondContact O-N 3.15Å; Y93-K96 WeakPolarHBondContact O-CB 3.36Å; Y93-K96 PolarHBondContact O-N 3.16Å; Y93-V97 PolarHBondContact O-N 3.18Å; Y93-R288 HydrophobicContact CE1-CB 3.92Å; Y93-R288 HydrophobicContact CE1-CG 3.89Å; Y93-R288 PolarHBondContact OH-NE 3.27Å; Y93-L293 HydrophobicContact CD2-CD2 3.85Å
94	F	83.2	Confident	87.5	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-39.9	177.5	-173.1	-118.1	0	0	0	111.6	L33 W85 T88 N91 K96 V97 L98 V108	L33-F94 HydrophobicContact CB-CE1 4.1Å; L33-F94 HydrophobicContact CD1-CE1 3.86Å; L33-F94 HydrophobicContact CD1-CZ 4.06Å; W85-F94 AromaticContact CZ2-CE2 3.92Å; W85-F94 HydrophobicContact CZ2-CE2 3.92Å; T88-F94 WeakPolarHBondContact O-CD2 3.44Å; N91-F94 VanDerWaalsContact O-CB 3.3Å; N91-F94 WeakPolarHBondContact O-CB 3.3Å; N91-F94 PolarHBondContact O-N 2.84Å; F94-K96 PolarHBondContact O-N 3.15Å; F94-V97 PolarHBondContact O-N 3.32Å; F94-L98 HydrophobicContact CD1-CD1 3.81Å; F94-L98 HydrophobicContact CD1-CG 4.35Å; F94-L98 HydrophobicContact CE1-CD1 3.69Å; F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 HydrophobicContact CE1-CG 4.23Å; F94-L98 HydrophobicContact CZ-CD1 4.36Å; F94-L98 HydrophobicContact CZ-CD2 4.25Å; F94-L98 HydrophobicContact CZ-CG 4.48Å; F94-L98 WeakPolarHBondContact O-CG 3.15Å; F94-L98 PolarHBondContact O-N 3.35Å; F94-L98 VanDerWaalsContact O-N 3.1Å; F94-V108 HydrophobicContact CZ-CG1 4.48Å
95	G	82.8	Confident	87.5	Confident	6 Å²	6	43.5 Å²	43.5	6%	0.062	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-25.6	176.2	0	0	0	0	0	114.2	S31 Y93 Q99	S31-G95 WeakPolarHBondContact OG-CA 3.15Å; S31-G95 PolarHBondContact OG-N 3.4Å; S31-G95 VanDerWaalsContact OG-N 3.11Å; Y93-G95 PolarHBondContact O-N 3.15Å; G95-Q99 VanDerWaalsContact O-CG 3.24Å; G95-Q99 WeakPolarHBondContact O-CG 3.29Å; G95-Q99 PolarHBondContact O-N 3.3Å
96	K	86.9	Confident	87.6	Confident	96 Å²	96	42.5 Å²	42.5	42%	0.417	20%	0.201	S	C	.	.	H	α-helix	trans	-74.5	-36.4	175.5	-65.2	-63.2	-175.3	179.7	0	112.1	Y93 F94 Q99 Q100	Y93-K96 WeakPolarHBondContact O-CB 3.36Å; Y93-K96 PolarHBondContact O-N 3.16Å; F94-K96 PolarHBondContact O-N 3.15Å; K96-Q99 PolarHBondContact O-N 3.43Å; K96-Q100 PolarHBondContact O-NE2 3.17Å
97	V	88.4	Confident	87.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-47.1	171.6	-178.3	0	0	0	0	109.6	W85 Y93 F94 Q99 Q100 I102 T105	W85-V97 HydrophobicContact CZ2-CG1 4.26Å; Y93-V97 PolarHBondContact O-N 3.18Å; F94-V97 PolarHBondContact O-N 3.32Å; V97-Q99 PolarHBondContact O-N 3.2Å; V97-Q99 VanDerWaalsContact O-N 3.08Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.36Å; V97-I102 HydrophobicContact CG1-CD1 4.01Å; V97-T105 HydrophobicContact CG1-CG2 4.19Å; V97-T105 WeakPolarHBondContact O-CG2 3.05Å
98	L	88.1	Confident	88	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.4	178.3	-60.4	176.8	0	0	0	115.4	P32 L33 F94 T105 V108 R189	P32-L98 HydrophobicContact CG-CB 4.42Å; P32-L98 HydrophobicContact CG-CD1 4.08Å; L33-L98 HydrophobicContact CB-CD1 4.12Å; L33-L98 HydrophobicContact CD1-CD1 3.42Å; L33-L98 VanDerWaalsContact CD1-CD1 3.42Å; L33-L98 HydrophobicContact CD1-CD2 3.45Å; L33-L98 VanDerWaalsContact CD1-CD2 3.45Å; L33-L98 HydrophobicContact CD1-CG 4.05Å; L33-L98 HydrophobicContact CG-CD1 3.71Å; L33-L98 HydrophobicContact CG-CD2 4.47Å; F94-L98 HydrophobicContact CD1-CD1 3.81Å; F94-L98 HydrophobicContact CD1-CG 4.35Å; F94-L98 HydrophobicContact CE1-CD1 3.69Å; F94-L98 HydrophobicContact CE1-CD2 4.4Å; F94-L98 HydrophobicContact CE1-CG 4.23Å; F94-L98 HydrophobicContact CZ-CD1 4.36Å; F94-L98 HydrophobicContact CZ-CD2 4.25Å; F94-L98 HydrophobicContact CZ-CG 4.48Å; F94-L98 WeakPolarHBondContact O-CG 3.15Å; F94-L98 PolarHBondContact O-N 3.35Å; F94-L98 VanDerWaalsContact O-N 3.1Å; L98-T105 HydrophobicContact CD2-CG2 4.44Å; L98-V108 HydrophobicContact CD2-CB 4.36Å; L98-V108 HydrophobicContact CD2-CG1 3.89Å; L98-R189 PolarHBondContact O-NH2 3.24Å
99	Q	87.1	Confident	88.4	Confident	91 Å²	91	39.7 Å²	39.7	43%	0.425	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.8	173.5	-79.5	172.2	4.8	0	0	112.8	G95 K96 V97 R189	G95-Q99 VanDerWaalsContact O-CG 3.24Å; G95-Q99 WeakPolarHBondContact O-CG 3.29Å; G95-Q99 PolarHBondContact O-N 3.3Å; K96-Q99 PolarHBondContact O-N 3.43Å; V97-Q99 PolarHBondContact O-N 3.2Å; V97-Q99 VanDerWaalsContact O-N 3.08Å; Q99-R189 VanDerWaalsContact O-CZ 3.28Å; Q99-R189 PolarHBondContact O-NH1 3.45Å; Q99-R189 PolarHBondContact O-NH2 3.42Å; Q99-R189 VanDerWaalsContact O-NH2 3.16Å
100	Q	90.5	Very high	89.3	Confident	37 Å²	37	38.6 Å²	38.6	17%	0.173	18%	0.175	C	C	.	.	S	Bend	trans	-97.6	161.5	171.5	-67.2	159.1	70.6	0	0	109.7	K96 V97 I102 T105 R189 T290	K96-Q100 PolarHBondContact O-NE2 3.17Å; V97-Q100 WeakPolarHBondContact O-CB 3.47Å; V97-Q100 PolarHBondContact O-N 3.36Å; Q100-I102 HydrophobicContact CB-CD1 4.42Å; Q100-I102 HydrophobicContact CB-CG1 4.19Å; Q100-I102 HydrophobicContact CB-CG2 3.94Å; Q100-T105 PolarHBondContact O-OG1 3.08Å; Q100-R189 PolarHBondContact O-NH2 3.16Å; Q100-T290 PolarHBondContact NE2-O 2.67Å
101	D	92.4	Very high	90.5	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.091	14%	0.136	C	C	.	.			trans	-108.9	52.9	177.8	-68.4	-39.1	0	0	0	110.5	R189 S277 D278	D101-R189 VanDerWaalsContact OD1-CG 3.31Å; D101-R189 WeakPolarHBondContact OD1-CG 3.49Å; D101-R189 IonicContact OD1-CZ 3.64Å; D101-R189 IonicContact OD1-NE 2.82Å; D101-R189 PolarHBondContact OD1-NE 3.09Å; D101-R189 IonicContact OD1-NH1 3.02Å; D101-R189 PolarHBondContact OD1-NH1 2.64Å; D101-R189 IonicContact OD1-NH2 3.26Å; D101-R189 PolarHBondContact OD1-NH2 2.03Å; D101-R189 WeakPolarHBondContact OD2-CB 3.47Å; D101-R189 IonicContact OD2-CZ 3.96Å; D101-R189 IonicContact OD2-NE 3.17Å; D101-R189 IonicContact OD2-NH1 3.1Å; D101-R189 PolarHBondContact OD2-NH1 3.13Å; D101-S277 WeakPolarHBondContact CB-OG 3.01Å; D101-S277 PolarHBondContact O-N 3.22Å; D101-D278 PolarHBondContact O-N 3.03Å
102	I	96.1	Very high	91.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	12%	0.124	C	C	.	.	S	Bend	trans	-99.9	165	-175.2	62.2	174.6	0	0	0	112	V97 Q100 E104 T105 A106 D278 E279 F283	V97-I102 HydrophobicContact CG1-CD1 4.01Å; Q100-I102 HydrophobicContact CB-CD1 4.42Å; Q100-I102 HydrophobicContact CB-CG1 4.19Å; Q100-I102 HydrophobicContact CB-CG2 3.94Å; I102-E104 VanDerWaalsContact C-N 3.26Å; I102-E104 HydrophobicContact CD1-CB 4.2Å; I102-E104 WeakPolarHBondContact CD1-OE2 3.09Å; I102-E104 HydrophobicContact CG1-CB 4.34Å; I102-E104 PolarHBondContact O-N 2.97Å; I102-T105 HydrophobicContact CG1-CG2 3.81Å; I102-T105 PolarHBondContact N-OG1 3.05Å; I102-T105 PolarHBondContact O-N 3.45Å; I102-T105 PolarHBondContact O-OG1 3.29Å; I102-A106 PolarHBondContact O-N 3.39Å; I102-D278 HydrophobicContact CG2-CB 4.01Å; I102-E279 VanDerWaalsContact CG2-O 3.29Å; I102-E279 WeakPolarHBondContact CG2-O 3.28Å; I102-F283 HydrophobicContact CD1-CZ 3.96Å
103	R	97.3	Very high	92.8	Very high	71 Å²	71	20.2 Å²	20.2	27%	0.268	9%	0.09	S	C	.	.	H	α-helix	trans	-52.6	-40.6	-178.4	-155.1	-174.2	-66.7	-163	2.4	113.6	T105 A106 F107 F244 A247 Y276	R103-T105 VanDerWaalsContact C-N 3.32Å; R103-T105 PolarHBondContact O-N 3.25Å; R103-A106 WeakPolarHBondContact O-CB 3.08Å; R103-A106 PolarHBondContact O-N 2.84Å; R103-F107 PolarHBondContact O-N 3.41Å; R103-F244 VanDerWaalsContact C-CE2 3.49Å; R103-F244 HydrophobicContact CB-CD2 4.37Å; R103-F244 HydrophobicContact CB-CE2 3.78Å; R103-F244 HydrophobicContact CB-CZ 4.41Å; R103-F244 VanDerWaalsContact CD-O 3.31Å; R103-F244 WeakPolarHBondContact CD-O 3.43Å; R103-F244 HydrophobicContact CG-CD2 3.62Å; R103-F244 HydrophobicContact CG-CE2 3.43Å; R103-F244 VanDerWaalsContact CG-CE2 3.43Å; R103-F244 HydrophobicContact CG-CG 4.42Å; R103-F244 HydrophobicContact CG-CZ 4.07Å; R103-F244 WeakPolarHBondContact O-CD2 3.39Å; R103-F244 WeakPolarHBondContact O-CE2 3.4Å; R103-A247 HydrophobicContact CG-CB 3.8Å; R103-Y276 HydrophobicContact CB-CD1 4.31Å; R103-Y276 HydrophobicContact CB-CG 4.38Å; R103-Y276 HydrophobicContact CG-CD1 4.17Å; R103-Y276 HydrophobicContact CG-CE1 4.29Å; R103-Y276 PolarHBondContact NH2-OH 3.44Å; R103-Y276 VanDerWaalsContact NH2-OH 3.13Å
104	E	96.9	Very high	93.6	Very high	20 Å²	20	18.2 Å²	18.2	9%	0.093	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-40.7	179.6	-70	71.4	-161.8	0	0	111.2	F80 W85 I102 F107 V108 F244 S280 F283	F80-E104 HydrophobicContact CE1-CG 4.35Å; W85-E104 HydrophobicContact CB-CG 4.41Å; W85-E104 HydrophobicContact CD2-CB 4.09Å; W85-E104 HydrophobicContact CD2-CG 3.78Å; W85-E104 HydrophobicContact CE3-CB 3.78Å; W85-E104 HydrophobicContact CE3-CG 3.44Å; W85-E104 VanDerWaalsContact CE3-CG 3.44Å; W85-E104 HydrophobicContact CG-CG 4.22Å; W85-E104 HydrophobicContact CH2-CB 4.07Å; W85-E104 HydrophobicContact CZ2-CB 4.35Å; W85-E104 HydrophobicContact CZ3-CB 3.78Å; W85-E104 HydrophobicContact CZ3-CG 3.94Å; I102-E104 VanDerWaalsContact C-N 3.26Å; I102-E104 HydrophobicContact CD1-CB 4.2Å; I102-E104 WeakPolarHBondContact CD1-OE2 3.09Å; I102-E104 HydrophobicContact CG1-CB 4.34Å; I102-E104 PolarHBondContact O-N 2.97Å; E104-F107 PolarHBondContact O-N 3.27Å; E104-V108 WeakPolarHBondContact O-CG2 3.33Å; E104-V108 PolarHBondContact O-N 3Å; E104-F244 HydrophobicContact CG-CE2 4.38Å; E104-S280 PolarHBondContact OE1-OG 3.47Å; E104-S280 WeakPolarHBondContact OE2-CB 3.5Å; E104-S280 PolarHBondContact OE2-OG 3.12Å; E104-F283 HydrophobicContact CG-CE2 4.14Å; E104-F283 HydrophobicContact CG-CZ 4.29Å
105	T	95.4	Very high	94.4	Very high	3 Å²	3	18 Å²	18	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-68.6	-36.4	178.1	63.6	0	0	0	0	112	V97 L98 Q100 I102 R103 F107 V108 Y109	V97-T105 HydrophobicContact CG1-CG2 4.19Å; V97-T105 WeakPolarHBondContact O-CG2 3.05Å; L98-T105 HydrophobicContact CD2-CG2 4.44Å; Q100-T105 PolarHBondContact O-OG1 3.08Å; I102-T105 HydrophobicContact CG1-CG2 3.81Å; I102-T105 PolarHBondContact N-OG1 3.05Å; I102-T105 PolarHBondContact O-N 3.45Å; I102-T105 PolarHBondContact O-OG1 3.29Å; R103-T105 VanDerWaalsContact C-N 3.32Å; R103-T105 PolarHBondContact O-N 3.25Å; T105-F107 VanDerWaalsContact C-N 3.33Å; T105-F107 PolarHBondContact O-N 3.43Å; T105-V108 PolarHBondContact O-N 2.9Å; T105-V108 VanDerWaalsContact O-N 3.11Å; T105-Y109 WeakPolarHBondContact O-CD2 3.43Å; T105-Y109 PolarHBondContact O-N 3.42Å
106	A	97.9	Very high	95.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.6	-48.1	174.9	0	0	0	0	0	111.5	I102 R103 V108 Y109 A110 N196 L274 I275	I102-A106 PolarHBondContact O-N 3.39Å; R103-A106 WeakPolarHBondContact O-CB 3.08Å; R103-A106 PolarHBondContact O-N 2.84Å; A106-V108 VanDerWaalsContact C-N 3.34Å; A106-V108 PolarHBondContact O-N 2.94Å; A106-Y109 PolarHBondContact O-N 2.96Å; A106-A110 WeakPolarHBondContact O-CB 3.31Å; A106-A110 PolarHBondContact O-N 2.91Å; A106-A110 VanDerWaalsContact O-N 3.09Å; A106-N196 WeakPolarHBondContact CA-ND2 3.29Å; A106-N196 VanDerWaalsContact CB-ND2 3.26Å; A106-N196 WeakPolarHBondContact CB-ND2 3.03Å; A106-L274 HydrophobicContact CB-CB 4.37Å; A106-I275 VanDerWaalsContact CB-O 3.3Å; A106-I275 WeakPolarHBondContact CB-O 3.2Å
107	F	98.4	Very high	95.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.9	-43.6	174.8	179.5	-85.9	0	0	0	111.8	C76 Q79 F80 R103 E104 T105 Y109 A110 I111 L240 L241 F244 L274	C76-F107 HydrophobicContact CB-CE1 3.95Å; Q79-F107 HydrophobicContact CB-CZ 4.07Å; Q79-F107 HydrophobicContact CG-CZ 4.07Å; F80-F107 HydrophobicContact CD2-CD1 4.22Å; F80-F107 HydrophobicContact CD2-CE1 4.1Å; F80-F107 HydrophobicContact CE2-CB 4.39Å; F80-F107 AromaticContact CE2-CD1 3.42Å; F80-F107 HydrophobicContact CE2-CD1 3.42Å; F80-F107 VanDerWaalsContact CE2-CD1 3.42Å; F80-F107 HydrophobicContact CE2-CD2 4.07Å; F80-F107 AromaticContact CE2-CE1 3.6Å; F80-F107 HydrophobicContact CE2-CE1 3.6Å; F80-F107 HydrophobicContact CE2-CE2 4.19Å; F80-F107 AromaticContact CE2-CG 3.68Å; F80-F107 HydrophobicContact CE2-CG 3.68Å; F80-F107 AromaticContact CE2-CZ 3.99Å; F80-F107 HydrophobicContact CE2-CZ 3.99Å; F80-F107 HydrophobicContact CZ-CB 4.29Å; F80-F107 HydrophobicContact CZ-CD1 4.13Å; F80-F107 HydrophobicContact CZ-CD2 4.5Å; F80-F107 HydrophobicContact CZ-CG 4.04Å; R103-F107 PolarHBondContact O-N 3.41Å; E104-F107 PolarHBondContact O-N 3.27Å; T105-F107 VanDerWaalsContact C-N 3.33Å; T105-F107 PolarHBondContact O-N 3.43Å; F107-Y109 PolarHBondContact O-N 3.37Å; F107-A110 PolarHBondContact O-N 3.48Å; F107-I111 HydrophobicContact CD1-CB 4.38Å; F107-I111 HydrophobicContact CD1-CG2 4.03Å; F107-I111 HydrophobicContact CE1-CB 3.89Å; F107-I111 HydrophobicContact CE1-CG1 4.24Å; F107-I111 HydrophobicContact CE1-CG2 3.74Å; F107-I111 HydrophobicContact CZ-CB 4.16Å; F107-I111 HydrophobicContact CZ-CG1 4.29Å; F107-I111 VanDerWaalsContact O-CG2 3.31Å; F107-I111 WeakPolarHBondContact O-CG2 3.38Å; F107-I111 PolarHBondContact O-N 2.94Å; F107-L240 HydrophobicContact CD2-CB 4.1Å; F107-L240 HydrophobicContact CE2-CB 3.63Å; F107-L240 HydrophobicContact CZ-CB 4.46Å; F107-L241 HydrophobicContact CE2-CB 4.18Å; F107-F244 HydrophobicContact CB-CB 4.36Å; F107-F244 HydrophobicContact CB-CD2 3.77Å; F107-F244 HydrophobicContact CB-CG 4.39Å; F107-F244 HydrophobicContact CD2-CB 3.89Å; F107-F244 HydrophobicContact CD2-CG 4.48Å; F107-F244 HydrophobicContact CG-CD2 4.5Å; F107-L274 HydrophobicContact CB-CD1 4.25Å; F107-L274 HydrophobicContact CD2-CD1 4.39Å
108	V	97	Very high	96.1	Very high	1 Å²	1	14 Å²	14	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-43.6	-179.3	176	0	0	0	0	112.3	L33 W85 F94 L98 E104 T105 A106 I111 T112	L33-V108 HydrophobicContact CD1-CB 4.4Å; L33-V108 HydrophobicContact CD1-CG1 2.99Å; L33-V108 HydrophobicContact CG-CG1 4.36Å; W85-V108 HydrophobicContact CH2-CG2 3.47Å; W85-V108 VanDerWaalsContact CH2-CG2 3.47Å; W85-V108 HydrophobicContact CZ2-CG2 4.23Å; W85-V108 HydrophobicContact CZ3-CG2 4.37Å; F94-V108 HydrophobicContact CZ-CG1 4.48Å; L98-V108 HydrophobicContact CD2-CB 4.36Å; L98-V108 HydrophobicContact CD2-CG1 3.89Å; E104-V108 WeakPolarHBondContact O-CG2 3.33Å; E104-V108 PolarHBondContact O-N 3Å; T105-V108 PolarHBondContact O-N 2.9Å; T105-V108 VanDerWaalsContact O-N 3.11Å; A106-V108 VanDerWaalsContact C-N 3.34Å; A106-V108 PolarHBondContact O-N 2.94Å; V108-I111 WeakPolarHBondContact O-CG2 3.47Å; V108-T112 VanDerWaalsContact O-CB 3.22Å; V108-T112 WeakPolarHBondContact O-CB 3.24Å; V108-T112 PolarHBondContact O-N 3.43Å; V108-T112 PolarHBondContact O-OG1 3.04Å
109	Y	96.7	Very high	96.6	Very high	30 Å²	30	14.3 Å²	14.3	12%	0.118	7%	0.065	C	C	.	.	H	α-helix	trans	-62.1	-45.8	175.5	-81.5	-73.5	0	0	0	111	T105 A106 F107 T112 A113 N193 N197	T105-Y109 WeakPolarHBondContact O-CD2 3.43Å; T105-Y109 PolarHBondContact O-N 3.42Å; A106-Y109 PolarHBondContact O-N 2.96Å; F107-Y109 PolarHBondContact O-N 3.37Å; Y109-T112 PolarHBondContact O-N 3.23Å; Y109-A113 WeakPolarHBondContact O-CB 3.28Å; Y109-A113 PolarHBondContact O-N 2.91Å; Y109-N193 HydrophobicContact CD1-CB 4.38Å; Y109-N193 VanDerWaalsContact CD2-OD1 3.24Å; Y109-N193 WeakPolarHBondContact CD2-OD1 3.43Å; Y109-N193 HydrophobicContact CE1-CB 4.4Å; Y109-N193 WeakPolarHBondContact CE2-OD1 3.4Å; Y109-N197 WeakPolarHBondContact CB-OD1 3.4Å; Y109-N197 PolarHBondContact O-OD1 2.93Å
110	A	98.6	Very high	97.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.1	-53.7	178	0	0	0	0	0	112.9	A106 F107 T112 A113 A114 N196 G200 L240 L274	A106-A110 WeakPolarHBondContact O-CB 3.31Å; A106-A110 PolarHBondContact O-N 2.91Å; A106-A110 VanDerWaalsContact O-N 3.09Å; F107-A110 PolarHBondContact O-N 3.48Å; A110-T112 VanDerWaalsContact C-N 3.27Å; A110-T112 PolarHBondContact O-N 3.45Å; A110-A113 PolarHBondContact O-N 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.38Å; A110-A114 PolarHBondContact O-N 3.38Å; A110-N196 WeakPolarHBondContact CA-O 3.41Å; A110-N196 VanDerWaalsContact CB-O 3.23Å; A110-N196 WeakPolarHBondContact CB-O 3.34Å; A110-G200 VanDerWaalsContact O-CA 3.23Å; A110-G200 WeakPolarHBondContact O-CA 3.4Å; A110-L240 HydrophobicContact CB-CD1 4.21Å; A110-L240 HydrophobicContact CB-CD2 4.06Å; A110-L274 HydrophobicContact CB-CD2 3.57Å
111	I	98.6	Very high	97.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-67	-29.7	-177.7	-164.5	63.4	0	0	0	112.1	G72 E75 C76 F107 V108 G115 F233 L240	G72-I111 WeakPolarHBondContact CA-O 3.15Å; E75-I111 HydrophobicContact CB-CD1 4.35Å; E75-I111 HydrophobicContact CB-CG1 4.22Å; E75-I111 HydrophobicContact CG-CD1 4.04Å; E75-I111 HydrophobicContact CG-CG1 4.37Å; C76-I111 HydrophobicContact CB-CG2 4.06Å; F107-I111 HydrophobicContact CD1-CB 4.38Å; F107-I111 HydrophobicContact CD1-CG2 4.03Å; F107-I111 HydrophobicContact CE1-CB 3.89Å; F107-I111 HydrophobicContact CE1-CG1 4.24Å; F107-I111 HydrophobicContact CE1-CG2 3.74Å; F107-I111 HydrophobicContact CZ-CB 4.16Å; F107-I111 HydrophobicContact CZ-CG1 4.29Å; F107-I111 VanDerWaalsContact O-CG2 3.31Å; F107-I111 WeakPolarHBondContact O-CG2 3.38Å; F107-I111 PolarHBondContact O-N 2.94Å; V108-I111 WeakPolarHBondContact O-CG2 3.47Å; I111-G115 PolarHBondContact O-N 2.98Å; I111-F233 HydrophobicContact CD1-CE1 3.97Å; I111-F233 HydrophobicContact CD1-CZ 3.74Å; I111-F233 HydrophobicContact CG1-CE1 4.32Å; I111-F233 HydrophobicContact CG1-CZ 4.17Å; I111-L240 HydrophobicContact CB-CD1 4.16Å; I111-L240 HydrophobicContact CD1-CD1 3.74Å
112	T	97.3	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.9	-46.4	173.4	-56.8	0	0	0	0	110.5	L33 A69 V108 Y109 A110 A114 G115 V116 M177	L33-T112 HydrophobicContact CD2-CG2 3.83Å; A69-T112 HydrophobicContact CB-CG2 3.86Å; V108-T112 VanDerWaalsContact O-CB 3.22Å; V108-T112 WeakPolarHBondContact O-CB 3.24Å; V108-T112 PolarHBondContact O-N 3.43Å; V108-T112 PolarHBondContact O-OG1 3.04Å; Y109-T112 PolarHBondContact O-N 3.23Å; A110-T112 VanDerWaalsContact C-N 3.27Å; A110-T112 PolarHBondContact O-N 3.45Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 3.43Å; T112-G115 PolarHBondContact O-N 3.33Å; T112-G115 VanDerWaalsContact O-N 3.16Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 3.32Å; T112-M177 HydrophobicContact CG2-CE 3.7Å; T112-M177 HydrophobicContact CG2-SD 4.26Å
113	A	98.2	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.9	-39	177.5	0	0	0	0	0	112.5	Y109 A110 T117 S173 M177 N197 R201	Y109-A113 WeakPolarHBondContact O-CB 3.28Å; Y109-A113 PolarHBondContact O-N 2.91Å; A110-A113 PolarHBondContact O-N 3.3Å; A113-T117 PolarHBondContact O-N 2.85Å; A113-T117 PolarHBondContact O-OG1 2.83Å; A113-T117 VanDerWaalsContact O-OG1 3.12Å; A113-S173 PolarHBondContact O-OG 3.28Å; A113-M177 WeakPolarHBondContact CA-SD 3.02Å; A113-M177 HydrophobicContact CB-CE 3.96Å; A113-M177 HydrophobicContact CB-SD 3.79Å; A113-N197 HydrophobicContact CB-CB 3.94Å; A113-N197 WeakPolarHBondContact CB-O 3.42Å; A113-R201 HydrophobicContact CB-CG 4.15Å
114	A	98.7	Very high	97.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.8	-46.3	170.7	0	0	0	0	0	111.5	A110 T112 V116 T117 H118 G200 V204 F233 V236 L240	A110-A114 WeakPolarHBondContact O-CB 3.38Å; A110-A114 PolarHBondContact O-N 3.38Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 3.43Å; A114-V116 PolarHBondContact O-N 2.9Å; A114-T117 PolarHBondContact O-N 2.61Å; A114-H118 VanDerWaalsContact O-CB 3.3Å; A114-H118 WeakPolarHBondContact O-CB 3.35Å; A114-H118 PolarHBondContact O-N 2.93Å; A114-G200 VanDerWaalsContact CB-O 3.23Å; A114-G200 WeakPolarHBondContact CB-O 3.38Å; A114-V204 HydrophobicContact CB-CG2 3.93Å; A114-F233 HydrophobicContact CB-CE2 4.15Å; A114-F233 HydrophobicContact CB-CZ 4.46Å; A114-V236 HydrophobicContact CB-CG1 3.88Å; A114-L240 HydrophobicContact CB-CD1 4.14Å
115	G	98.4	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.4	-40.3	179.1	0	0	0	0	0	113	G68 I111 T112 H118 A119 F233	G68-G115 VanDerWaalsContact CA-C 3.47Å; G68-G115 WeakPolarHBondContact CA-O 3.38Å; G68-G115 CarbonylContact O-C 3.46Å; G68-G115 WeakPolarHBondContact O-CA 3.31Å; I111-G115 PolarHBondContact O-N 2.98Å; T112-G115 PolarHBondContact O-N 3.33Å; T112-G115 VanDerWaalsContact O-N 3.16Å; G115-H118 PolarHBondContact O-N 2.93Å; G115-A119 WeakPolarHBondContact O-CB 3.5Å; G115-A119 PolarHBondContact O-N 3.46Å; G115-F233 VanDerWaalsContact CA-CE2 3.48Å; G115-F233 VanDerWaalsContact CA-CZ 3.44Å
116	V	97.8	Very high	97.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-63.8	-48.5	173.4	175.3	0	0	0	0	111.2	V65 A69 T112 A114 H118 V120 M177	V65-V116 HydrophobicContact CB-CG1 4.17Å; V65-V116 HydrophobicContact CG1-CG1 3.97Å; V65-V116 HydrophobicContact CG1-CG2 4Å; V65-V116 HydrophobicContact CG2-CG1 3.81Å; A69-V116 HydrophobicContact CB-CG2 4.42Å; T112-V116 WeakPolarHBondContact O-CG2 3.12Å; T112-V116 PolarHBondContact O-N 3.32Å; A114-V116 PolarHBondContact O-N 2.9Å; V116-H118 VanDerWaalsContact C-N 3.28Å; V116-H118 PolarHBondContact O-N 2.64Å; V116-V120 HydrophobicContact CG1-CG2 4.29Å; V116-V120 WeakPolarHBondContact O-CB 3.3Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 3.44Å; V116-V120 VanDerWaalsContact O-N 3.08Å; V116-M177 HydrophobicContact CB-SD 4.29Å; V116-M177 HydrophobicContact CG2-SD 3.88Å
117	T	98.6	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.6	-45.5	176.1	-65.3	0	0	0	0	111.2	A113 A114 T121 V166 S173 R201 V204	A113-T117 PolarHBondContact O-N 2.85Å; A113-T117 PolarHBondContact O-OG1 2.83Å; A113-T117 VanDerWaalsContact O-OG1 3.12Å; A114-T117 PolarHBondContact O-N 2.61Å; T117-T121 VanDerWaalsContact O-CB 3.26Å; T117-T121 WeakPolarHBondContact O-CB 3.18Å; T117-T121 PolarHBondContact O-N 2.59Å; T117-T121 VanDerWaalsContact O-N 3.11Å; T117-T121 PolarHBondContact O-OG1 3.48Å; T117-V166 HydrophobicContact CG2-CG2 4.05Å; T117-S173 VanDerWaalsContact OG1-CB 3.22Å; T117-S173 WeakPolarHBondContact OG1-CB 3.3Å; T117-S173 PolarHBondContact OG1-OG 3.36Å; T117-R201 WeakPolarHBondContact OG1-CG 3.25Å; T117-V204 HydrophobicContact CG2-CB 4.17Å; T117-V204 HydrophobicContact CG2-CG1 4.17Å
118	H	98.5	Very high	97.1	Very high	19 Å²	19	20.4 Å²	20.4	9%	0.088	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-52.5	-177.7	-171.8	-83.9	0	0	0	112.1	A114 G115 V116 T121 Q122 M230 P231 F233	A114-H118 VanDerWaalsContact O-CB 3.3Å; A114-H118 WeakPolarHBondContact O-CB 3.35Å; A114-H118 PolarHBondContact O-N 2.93Å; G115-H118 PolarHBondContact O-N 2.93Å; V116-H118 VanDerWaalsContact C-N 3.28Å; V116-H118 PolarHBondContact O-N 2.64Å; H118-T121 PolarHBondContact O-N 3.04Å; H118-Q122 VanDerWaalsContact O-CB 3.29Å; H118-Q122 WeakPolarHBondContact O-CB 3.49Å; H118-Q122 PolarHBondContact O-N 2.75Å; H118-M230 HydrophobicContact CB-SD 4.41Å; H118-M230 VanDerWaalsContact O-CE 3.3Å; H118-M230 WeakPolarHBondContact O-CE 3.43Å; H118-P231 PolarHBondContact NE2-O 3.39Å; H118-F233 HydrophobicContact CB-CD2 3.86Å; H118-F233 HydrophobicContact CB-CE2 4.02Å; H118-F233 AromaticContact CD2-CD2 3.94Å; H118-F233 AromaticContact CG-CD2 3.71Å
119	A	98.2	Very high	96.9	Very high	9 Å²	9	20.6 Å²	20.6	7%	0.074	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-43.2	-177.3	0	0	0	0	0	112.9	G115 Q122 A123	G115-A119 WeakPolarHBondContact O-CB 3.5Å; G115-A119 PolarHBondContact O-N 3.46Å; A119-Q122 PolarHBondContact O-N 3.46Å; A119-A123 WeakPolarHBondContact O-CB 2.97Å; A119-A123 PolarHBondContact O-N 2.85Å
120	V	97.6	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-44	178.5	175.2	0	0	0	0	110.8	E64 V65 V116 Q122 A123 C124 L129 F168 M172	E64-V120 HydrophobicContact CB-CG2 3.98Å; V65-V120 HydrophobicContact CG2-CG2 4.03Å; V116-V120 HydrophobicContact CG1-CG2 4.29Å; V116-V120 WeakPolarHBondContact O-CB 3.3Å; V116-V120 VanDerWaalsContact O-CG2 3.32Å; V116-V120 WeakPolarHBondContact O-CG2 3.3Å; V116-V120 PolarHBondContact O-N 3.44Å; V116-V120 VanDerWaalsContact O-N 3.08Å; V120-Q122 VanDerWaalsContact C-N 3.3Å; V120-Q122 PolarHBondContact O-N 3.4Å; V120-A123 PolarHBondContact O-N 3.41Å; V120-C124 PolarHBondContact O-N 2.91Å; V120-C124 VanDerWaalsContact O-N 3.08Å; V120-C124 PolarHBondContact O-SG 3.14Å; V120-L129 HydrophobicContact CG1-CD1 4.23Å; V120-F168 HydrophobicContact CG1-CD1 3.9Å; V120-F168 HydrophobicContact CG1-CE1 3.82Å; V120-M172 HydrophobicContact CG1-CB 4.12Å; V120-M172 HydrophobicContact CG1-CG 4.27Å
121	T	97.7	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-41.5	176.3	-56.6	0	0	0	0	111.3	T117 H118 C124 S125 D164 D165 V166 G169 M230	T117-T121 VanDerWaalsContact O-CB 3.26Å; T117-T121 WeakPolarHBondContact O-CB 3.18Å; T117-T121 PolarHBondContact O-N 2.59Å; T117-T121 VanDerWaalsContact O-N 3.11Å; T117-T121 PolarHBondContact O-OG1 3.48Å; H118-T121 PolarHBondContact O-N 3.04Å; T121-C124 WeakPolarHBondContact O-CB 3.39Å; T121-C124 PolarHBondContact O-N 2.83Å; T121-S125 PolarHBondContact O-N 3.07Å; T121-S125 VanDerWaalsContact O-N 3.09Å; T121-S125 PolarHBondContact O-OG 3.36Å; T121-D164 HydrophobicContact CG2-CB 3.77Å; T121-D165 WeakPolarHBondContact CG2-O 3.41Å; T121-V166 HydrophobicContact CG2-CB 4.36Å; T121-G169 WeakPolarHBondContact OG1-CA 3.22Å; T121-M230 WeakPolarHBondContact CB-SD 3.06Å; T121-M230 HydrophobicContact CG2-CE 3.63Å; T121-M230 HydrophobicContact CG2-CG 4.17Å; T121-M230 HydrophobicContact CG2-SD 3.52Å; T121-M230 VanDerWaalsContact CG2-SD 3.52Å
122	Q	97.1	Very high	95.8	Very high	72 Å²	72	31.5 Å²	31.5	34%	0.336	18%	0.175	S	C	.	.	H	α-helix	trans	-65.2	-42	178.9	-174.7	172.6	10.6	0	0	111.7	H118 A119 V120 C124 S125 M126 M230	H118-Q122 VanDerWaalsContact O-CB 3.29Å; H118-Q122 WeakPolarHBondContact O-CB 3.49Å; H118-Q122 PolarHBondContact O-N 2.75Å; A119-Q122 PolarHBondContact O-N 3.46Å; V120-Q122 VanDerWaalsContact C-N 3.3Å; V120-Q122 PolarHBondContact O-N 3.4Å; Q122-C124 VanDerWaalsContact C-N 3.29Å; Q122-C124 PolarHBondContact O-N 3.38Å; Q122-S125 PolarHBondContact O-N 3.36Å; Q122-S125 PolarHBondContact O-OG 2.79Å; Q122-M126 HydrophobicContact CG-CE 3.53Å; Q122-M126 HydrophobicContact CG-CG 4.47Å; Q122-M126 HydrophobicContact CG-SD 3.87Å; Q122-M126 WeakPolarHBondContact O-CB 3.32Å; Q122-M126 VanDerWaalsContact O-CG 3.26Å; Q122-M126 WeakPolarHBondContact O-CG 3.39Å; Q122-M126 PolarHBondContact O-N 2.94Å; Q122-M230 HydrophobicContact CB-CE 3.89Å
123	A	97.1	Very high	95.4	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-38.5	175.5	0	0	0	0	0	111.7	E64 A119 V120 M126 G127 E128 L129	E64-A123 HydrophobicContact CB-CB 4.48Å; E64-A123 HydrophobicContact CG-CB 3.75Å; A119-A123 WeakPolarHBondContact O-CB 2.97Å; A119-A123 PolarHBondContact O-N 2.85Å; V120-A123 PolarHBondContact O-N 3.41Å; A123-M126 PolarHBondContact O-N 3.39Å; A123-G127 PolarHBondContact O-N 3.49Å; A123-E128 HydrophobicContact CB-CB 4.15Å; A123-E128 PolarHBondContact O-N 2.86Å; A123-L129 HydrophobicContact CB-CD1 3.84Å; A123-L129 HydrophobicContact CB-CG 3.94Å
124	C	95.4	Very high	95	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-48.7	173.4	-65	0	0	0	0	112.6	V120 T121 Q122 M126 G127 C132 F168	V120-C124 PolarHBondContact O-N 2.91Å; V120-C124 VanDerWaalsContact O-N 3.08Å; V120-C124 PolarHBondContact O-SG 3.14Å; T121-C124 WeakPolarHBondContact O-CB 3.39Å; T121-C124 PolarHBondContact O-N 2.83Å; Q122-C124 VanDerWaalsContact C-N 3.29Å; Q122-C124 PolarHBondContact O-N 3.38Å; C124-M126 VanDerWaalsContact C-N 3.27Å; C124-M126 PolarHBondContact O-N 2.96Å; C124-G127 PolarHBondContact O-N 3.49Å; C124-G127 VanDerWaalsContact O-N 3.12Å; C124-C132 WeakPolarHBondContact CA-SG 3.09Å; C124-C132 HydrophobicContact CB-CB 3.79Å; C124-C132 WeakPolarHBondContact CB-SG 3.18Å; C124-C132 WeakPolarHBondContact SG-CB 3.38Å; C124-C132 CovalentContact SG-SG 2.02Å; C124-C132 PolarHBondContact SG-SG 3.09Å; C124-F168 WeakPolarHBondContact SG-CD1 3.39Å; C124-F168 VanDerWaalsContact SG-CE1 3.53Å
125	S	94.8	Very high	94.2	Very high	18 Å²	18	38.3 Å²	38.3	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-73.8	-18.8	-178	62.6	0	0	0	0	113.8	T121 Q122 C162 D164	T121-S125 PolarHBondContact O-N 3.07Å; T121-S125 VanDerWaalsContact O-N 3.09Å; T121-S125 PolarHBondContact O-OG 3.36Å; Q122-S125 PolarHBondContact O-N 3.36Å; Q122-S125 PolarHBondContact O-OG 2.79Å; S125-C162 PolarHBondContact O-SG 3.03Å; S125-D164 WeakPolarHBondContact CB-OD1 3.35Å; S125-D164 PolarHBondContact OG-OD1 2.86Å
126	M	94.7	Very high	93	Very high	111 Å²	111	42.1 Å²	42.1	55%	0.547	25%	0.253	S	S	.	.	H	α-helix	trans	-83.8	-9.4	170.3	-70.2	178.3	175.6	0	0	113.6	Q122 A123 C124 E128	Q122-M126 HydrophobicContact CG-CE 3.53Å; Q122-M126 HydrophobicContact CG-CG 4.47Å; Q122-M126 HydrophobicContact CG-SD 3.87Å; Q122-M126 WeakPolarHBondContact O-CB 3.32Å; Q122-M126 VanDerWaalsContact O-CG 3.26Å; Q122-M126 WeakPolarHBondContact O-CG 3.39Å; Q122-M126 PolarHBondContact O-N 2.94Å; A123-M126 PolarHBondContact O-N 3.39Å; C124-M126 VanDerWaalsContact C-N 3.27Å; C124-M126 PolarHBondContact O-N 2.96Å; M126-E128 VanDerWaalsContact C-N 3.34Å; M126-E128 HydrophobicContact CB-CG 4.05Å
127	G	93.7	Very high	91.5	Very high	59 Å²	59	43.6 Å²	43.6	61%	0.608	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	22.1	-175.7	0	0	0	0	0	113.9	A123 C124 L129	A123-G127 PolarHBondContact O-N 3.49Å; C124-G127 PolarHBondContact O-N 3.49Å; C124-G127 VanDerWaalsContact O-N 3.12Å; G127-L129 VanDerWaalsContact C-N 3.34Å
128	E	94.2	Very high	89.4	Confident	105 Å²	105	54.9 Å²	54.9	49%	0.491	30%	0.304	S	S	.	.			trans	-78.8	-18.6	176.7	-64.5	-173.6	-174.2	0	0	112.7	K67 A123 M126	K67-E128 IonicContact NZ-OE2 3.71Å; A123-E128 HydrophobicContact CB-CB 4.15Å; A123-E128 PolarHBondContact O-N 2.86Å; M126-E128 VanDerWaalsContact C-N 3.34Å; M126-E128 HydrophobicContact CB-CG 4.05Å
129	L	93.8	Very high	87.3	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	34%	0.342	C	S	.	.			trans	-117	127.9	-179.3	-68.5	177.3	0	0	0	110.5	E60 I61 E64 V120 A123 G127 Q131 C132	E60-L129 HydrophobicContact CB-CD2 3.93Å; I61-L129 HydrophobicContact CG1-CD1 4.36Å; I61-L129 HydrophobicContact CG1-CD2 4.2Å; E64-L129 HydrophobicContact CG-CD1 4.21Å; E64-L129 HydrophobicContact CG-CD2 4.05Å; E64-L129 HydrophobicContact CG-CG 4.32Å; V120-L129 HydrophobicContact CG1-CD1 4.23Å; A123-L129 HydrophobicContact CB-CD1 3.84Å; A123-L129 HydrophobicContact CB-CG 3.94Å; G127-L129 VanDerWaalsContact C-N 3.34Å; L129-Q131 VanDerWaalsContact C-N 3.3Å; L129-Q131 PolarHBondContact O-N 2.82Å; L129-C132 WeakPolarHBondContact CB-SG 3.48Å; L129-C132 VanDerWaalsContact O-O 3.1Å
130	L	90.2	Very high	85.7	Confident	157 Å²	157	65.6 Å²	65.6	82%	0.822	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.6	179	-63.8	178.2	0	0	0	113.4	C132	L130-C132 VanDerWaalsContact C-N 3.29Å; L130-C132 PolarHBondContact O-N 3.09Å
131	Q	89.3	Confident	83.8	Confident	76 Å²	76	69.5 Å²	69.5	36%	0.355	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.1	-173.2	-50.5	80.7	7.7	0	0	112.8	E60 I61 L129 F168	E60-Q131 PolarHBondContact OE2-NE2 3.07Å; E60-Q131 VanDerWaalsContact OE2-NE2 3.15Å; I61-Q131 HydrophobicContact CD1-CB 4.36Å; I61-Q131 HydrophobicContact CD1-CG 4.4Å; L129-Q131 VanDerWaalsContact C-N 3.3Å; L129-Q131 PolarHBondContact O-N 2.82Å; Q131-F168 HydrophobicContact CB-CZ 4.31Å
132	C	91.8	Very high	81.9	Confident	26 Å²	26	72.9 Å²	72.9	18%	0.176	41%	0.411	C	S	.	.			trans	-149.8	177.8	-177.6	55	0	0	0	0	110.5	C124 L129 L130 F168	C124-C132 WeakPolarHBondContact CA-SG 3.09Å; C124-C132 HydrophobicContact CB-CB 3.79Å; C124-C132 WeakPolarHBondContact CB-SG 3.18Å; C124-C132 WeakPolarHBondContact SG-CB 3.38Å; C124-C132 CovalentContact SG-SG 2.02Å; C124-C132 PolarHBondContact SG-SG 3.09Å; L129-C132 WeakPolarHBondContact CB-SG 3.48Å; L129-C132 VanDerWaalsContact O-O 3.1Å; L130-C132 VanDerWaalsContact C-N 3.29Å; L130-C132 PolarHBondContact O-N 3.09Å; C132-F168 HydrophobicContact CB-CD1 3.79Å; C132-F168 HydrophobicContact CB-CD2 3.83Å; C132-F168 HydrophobicContact CB-CE1 3.75Å; C132-F168 HydrophobicContact CB-CE2 3.79Å; C132-F168 HydrophobicContact CB-CG 3.81Å; C132-F168 HydrophobicContact CB-CZ 3.74Å; C132-F168 VanDerWaalsContact SG-CE1 3.57Å
133	G	88.7	Confident	80.2	Confident	29 Å²	29	72.1 Å²	72.1	30%	0.299	41%	0.412	S	S	.	.			trans	-162	-157.4	175.7	0	0	0	0	0	111.1
134	C	88.3	Confident	78.3	Confident	61 Å²	61	83.2 Å²	83.2	41%	0.412	45%	0.454	S	S	.	.	S	Bend	trans	-67	150.2	173.4	-48	0	0	0	0	111.2	A136 C162 G163	C134-A136 PolarHBondContact O-N 2.81Å; C134-C162 HydrophobicContact CB-CB 3.93Å; C134-C162 WeakPolarHBondContact CB-SG 3.39Å; C134-C162 VanDerWaalsContact SG-CA 3.6Å; C134-C162 WeakPolarHBondContact SG-CB 3.42Å; C134-C162 CovalentContact SG-SG 2.02Å; C134-C162 PolarHBondContact SG-SG 3.16Å; C134-G163 CarbonylContact C-O 3.52Å; C134-G163 WeakPolarHBondContact CA-O 3.39Å
135	E	81.6	Confident	76.3	Confident	53 Å²	53	87.5 Å²	87.5	25%	0.248	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-57.7	125.8	172.9	-172.1	-178.9	-148.7	0	0	110.2	T137 K140 G163 D165	E135-T137 PolarHBondContact O-N 3.03Å; E135-T137 VanDerWaalsContact O-N 3.1Å; E135-K140 IonicContact OE1-NZ 2.89Å; E135-K140 PolarHBondContact OE1-NZ 3.2Å; E135-K140 IonicContact OE2-NZ 3.95Å; E135-K140 PolarHBondContact OE2-NZ 2.87Å; E135-G163 PolarHBondContact N-O 3.25Å; E135-D165 HydrophobicContact CB-CB 4.36Å
136	A	73.4	Confident	74.2	Confident	81 Å²	81	91.6 Å²	91.6	67%	0.669	51%	0.508	S	S	*	.			trans	-68	110.1	179.1	0	0	0	0	0	110.7	C134	C134-A136 PolarHBondContact O-N 2.81Å
137	T	66.2	Low	72	Confident	32 Å²	32	92.6 Å²	92.6	20%	0.196	53%	0.526	C	S	.	.			trans	-85.8	-6	178.7	53.9	0	0	0	0	113.7	E135 N139 K140 W159	E135-T137 PolarHBondContact O-N 3.03Å; E135-T137 VanDerWaalsContact O-N 3.1Å; T137-N139 PolarHBondContact O-N 3.13Å; T137-K140 PolarHBondContact O-N 3.27Å; T137-K140 VanDerWaalsContact O-N 3.08Å; T137-W159 HydrophobicContact CG2-CB 4.14Å
138	R	55.6	Low	69.7	Low	237 Å²	237	94.6 Å²	94.6	89%	0.894	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-22	-167.6	-74.3	-173.7	171.7	-174.8	-2.3	115.4
139	N	54.6	Low	67.2	Low	163 Å²	163	93.7 Å²	93.7	87%	0.872	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	8.7	-178.4	-64.8	-18.7	0	0	0	114.2	T137	T137-N139 PolarHBondContact O-N 3.13Å
140	K	63.5	Low	64.8	Low	89 Å²	89	99.6 Å²	99.6	39%	0.387	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-89.8	124.2	179.4	-72.9	-171.2	-177.7	-179.9	0	110.5	E135 T137 W159	E135-K140 IonicContact OE1-NZ 2.89Å; E135-K140 PolarHBondContact OE1-NZ 3.2Å; E135-K140 IonicContact OE2-NZ 3.95Å; E135-K140 PolarHBondContact OE2-NZ 2.87Å; T137-K140 PolarHBondContact O-N 3.27Å; T137-K140 VanDerWaalsContact O-N 3.08Å; K140-W159 VanDerWaalsContact O-CD1 3.22Å
141	A	58.2	Low	62.5	Low	82 Å²	82	96.5 Å²	96.5	68%	0.678	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.3	141.3	165.6	0	0	0	0	0	109.7	P143 W159	A141-P143 WeakPolarHBondContact O-CD 3.22Å; A141-W159 PolarHBondContact O-NE1 2.87Å
142	P	58.7	Low	60.3	Low	71 Å²	71	96.9 Å²	96.9	46%	0.461	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-54.8	130.5	171.3	-21	30.9	0	0	0	110.4	R144 W157	P142-R144 PolarHBondContact O-N 2.66Å; P142-W157 HydrophobicContact CB-CD2 4.48Å; P142-W157 HydrophobicContact CB-CH2 4.43Å; P142-W157 HydrophobicContact CB-CZ2 4.12Å
143	P	60.7	Low	58.1	Low	57 Å²	57	102.3 Å²	102.3	37%	0.37	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-50.9	137.1	169	-17.6	6	0	0	0	110.3	A141 W157 W159	A141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-W157 HydrophobicContact CB-CH2 4.22Å; P143-W157 HydrophobicContact CB-CZ2 3.74Å; P143-W157 HydrophobicContact CG-CH2 3.38Å; P143-W157 HydrophobicContact CG-CZ2 3.43Å; P143-W157 VanDerWaalsContact CG-CZ2 3.43Å; P143-W157 VanDerWaalsContact O-CZ2 3.32Å; P143-W157 WeakPolarHBondContact O-CZ2 3.48Å; P143-W157 PolarHBondContact O-NE1 3.46Å; P143-W159 HydrophobicContact CG-CH2 3.81Å; P143-W159 HydrophobicContact CG-CZ2 3.23Å
144	R	56.8	Low	56.5	Low	234 Å²	234	105 Å²	105	88%	0.883	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.4	134.6	175.4	-68.2	-177.5	-174.5	-171.3	1.2	108.4	P142	P142-R144 PolarHBondContact O-N 2.66Å
145	P	53.5	Low	55	Low	92 Å²	92	104.3 Å²	104.3	60%	0.597	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-54.4	143.3	174.1	22	-30.7	0	0	0	109.3	S147	P145-S147 PolarHBondContact O-N 3Å
146	P	51.2	Low	54.4	Low	103 Å²	103	108.6 Å²	108.6	67%	0.669	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.7	130.8	176.2	21.4	-29.7	0	0	0	109.1	S148	P146-S148 PolarHBondContact O-N 3.32Å
147	S	47.7	Very low	54.3	Low	133 Å²	133	106.6 Å²	106.6	93%	0.93	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	41.9	-170.4	57.9	0	0	0	0	114	P145	P145-S147 PolarHBondContact O-N 3Å
148	S	45.2	Very low	54.9	Low	100 Å²	100	109.4 Å²	109.4	70%	0.699	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.3	15.7	-176.9	62.8	0	0	0	0	116.6	P146 S150	P146-S148 PolarHBondContact O-N 3.32Å; S148-S150 PolarHBondContact O-N 3.21Å
149	S	42.8	Very low	56.2	Low	86 Å²	86	100 Å²	100	60%	0.601	61%	0.61	S	S	*	*			trans	-90.1	88.3	163.7	58.2	0	0	0	0	110.2	S151	S149-S151 PolarHBondContact O-N 3.09Å
150	S	43	Very low	57.5	Low	129 Å²	129	93 Å²	93	90%	0.902	58%	0.576	S	S	*	*			trans	-69	49.7	164.2	42.7	0	0	0	0	112.3	S148	S148-S150 PolarHBondContact O-N 3.21Å
151	S	42	Very low	58.5	Low	92 Å²	92	91.5 Å²	91.5	64%	0.643	59%	0.586	S	S	*	*	S	Bend	trans	-143.4	111.5	167.2	30.7	0	0	0	0	107.6	S149 D153	S149-S151 PolarHBondContact O-N 3.09Å; S151-D153 PolarHBondContact O-N 2.98Å
152	G	42.8	Very low	60	Low	84 Å²	84	89.5 Å²	89.5	87%	0.866	57%	0.566	S	S	*	*			trans	-68.2	87.5	-170.4	0	0	0	0	0	113.6
153	D	46.2	Very low	61.6	Low	141 Å²	141	86.1 Å²	86.1	75%	0.754	55%	0.545	S	S	*	.			trans	-142.2	107.7	148.9	-97	-32.8	0	0	0	107.7	S151 V155	S151-D153 PolarHBondContact O-N 2.98Å; D153-V155 HydrophobicContact CB-CG2 4.49Å; D153-V155 PolarHBondContact O-N 3.32Å
154	G	54.2	Low	63.2	Low	84 Å²	84	83.5 Å²	83.5	87%	0.866	53%	0.527	S	S	*	.			trans	-66.7	76.1	173.8	0	0	0	0	0	110	K156	G154-K156 PolarHBondContact O-N 2.98Å
155	V	57.3	Low	64.9	Low	48 Å²	48	74.2 Å²	74.2	29%	0.291	50%	0.496	S	S	.	.			trans	-61	102	-179.1	-179.9	0	0	0	0	108.3	D153 W157 C221 R224	D153-V155 HydrophobicContact CB-CG2 4.49Å; D153-V155 PolarHBondContact O-N 3.32Å; V155-W157 PolarHBondContact O-N 3.29Å; V155-C221 WeakPolarHBondContact CG1-O 3.41Å; V155-R224 HydrophobicContact CG1-CG 4.49Å
156	K	68.1	Low	67	Low	143 Å²	143	70.7 Å²	70.7	62%	0.622	47%	0.472	S	S	*	.			trans	-63.8	122.4	174.6	-167.9	-179.3	177.4	-167.6	0	107.5	G154 E158	G154-K156 PolarHBondContact O-N 2.98Å; K156-E158 WeakPolarHBondContact CE-OE1 3.31Å; K156-E158 IonicContact NZ-OE1 3.86Å
157	W	72.4	Confident	69.1	Low	39 Å²	39	69.5 Å²	69.5	15%	0.148	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.8	177.4	77.7	-93.9	0	0	0	109.7	P142 P143 V155 W159 R224 C226	P142-W157 HydrophobicContact CB-CD2 4.48Å; P142-W157 HydrophobicContact CB-CH2 4.43Å; P142-W157 HydrophobicContact CB-CZ2 4.12Å; P143-W157 HydrophobicContact CB-CH2 4.22Å; P143-W157 HydrophobicContact CB-CZ2 3.74Å; P143-W157 HydrophobicContact CG-CH2 3.38Å; P143-W157 HydrophobicContact CG-CZ2 3.43Å; P143-W157 VanDerWaalsContact CG-CZ2 3.43Å; P143-W157 VanDerWaalsContact O-CZ2 3.32Å; P143-W157 WeakPolarHBondContact O-CZ2 3.48Å; P143-W157 PolarHBondContact O-NE1 3.46Å; V155-W157 PolarHBondContact O-N 3.29Å; W157-W159 HydrophobicContact CH2-CD2 4.03Å; W157-W159 AromaticContact CH2-CE2 3.85Å; W157-W159 HydrophobicContact CH2-CE3 4.28Å; W157-W159 HydrophobicContact CH2-CH2 4.19Å; W157-W159 HydrophobicContact CH2-CZ2 4Å; W157-W159 HydrophobicContact CH2-CZ3 4.32Å; W157-W159 AromaticContact CZ3-CD2 3.81Å; W157-W159 HydrophobicContact CZ3-CD2 3.81Å; W157-W159 AromaticContact CZ3-CE3 3.98Å; W157-W159 HydrophobicContact CZ3-CE3 3.98Å; W157-W159 HydrophobicContact CZ3-CG 4.19Å; W157-W159 HydrophobicContact CZ3-CZ3 4.37Å; W157-R224 VanDerWaalsContact CA-O 3.25Å; W157-R224 WeakPolarHBondContact CA-O 3.31Å; W157-R224 HydrophobicContact CB-CG 3.41Å; W157-R224 VanDerWaalsContact CB-CG 3.41Å; W157-R224 WeakPolarHBondContact CB-O 3.45Å; W157-R224 HydrophobicContact CG-CG 4.48Å; W157-C226 HydrophobicContact CE3-CB 3.79Å; W157-C226 VanDerWaalsContact CE3-SG 3.54Å; W157-C226 HydrophobicContact CH2-CB 4.37Å; W157-C226 HydrophobicContact CZ3-CB 3.59Å
158	E	79.3	Confident	71.4	Confident	91 Å²	91	64.7 Å²	64.7	43%	0.425	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.8	-173.7	-64.4	177.8	179.3	0	0	110.2	K156 R224 T225 C226	K156-E158 WeakPolarHBondContact CE-OE1 3.31Å; K156-E158 IonicContact NZ-OE1 3.86Å; E158-R224 PolarHBondContact N-O 3.08Å; E158-T225 WeakPolarHBondContact O-CA 3Å; E158-C226 PolarHBondContact O-N 3.3Å
159	W	82.3	Confident	73.8	Confident	40 Å²	40	60 Å²	60	15%	0.152	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.5	168.9	-72.7	116.6	0	0	0	109.6	T137 K140 A141 P143 W157 T210 C226 K228	T137-W159 HydrophobicContact CG2-CB 4.14Å; K140-W159 VanDerWaalsContact O-CD1 3.22Å; A141-W159 PolarHBondContact O-NE1 2.87Å; P143-W159 HydrophobicContact CG-CH2 3.81Å; P143-W159 HydrophobicContact CG-CZ2 3.23Å; W157-W159 HydrophobicContact CH2-CD2 4.03Å; W157-W159 AromaticContact CH2-CE2 3.85Å; W157-W159 HydrophobicContact CH2-CE3 4.28Å; W157-W159 HydrophobicContact CH2-CH2 4.19Å; W157-W159 HydrophobicContact CH2-CZ2 4Å; W157-W159 HydrophobicContact CH2-CZ3 4.32Å; W157-W159 AromaticContact CZ3-CD2 3.81Å; W157-W159 HydrophobicContact CZ3-CD2 3.81Å; W157-W159 AromaticContact CZ3-CE3 3.98Å; W157-W159 HydrophobicContact CZ3-CE3 3.98Å; W157-W159 HydrophobicContact CZ3-CG 4.19Å; W157-W159 HydrophobicContact CZ3-CZ3 4.37Å; W159-T210 HydrophobicContact CH2-CG2 4.45Å; W159-T210 HydrophobicContact CZ3-CG2 4.25Å; W159-C226 WeakPolarHBondContact CA-O 3.47Å; W159-K228 HydrophobicContact CH2-CD 4.41Å; W159-K228 HydrophobicContact CH2-CG 4.18Å; W159-K228 HydrophobicContact CZ3-CG 4.24Å
160	G	81.8	Confident	76.5	Confident	15 Å²	15	56.6 Å²	56.6	16%	0.155	36%	0.361	C	S	.	.			trans	-170.2	-167.8	176.8	0	0	0	0	0	111	T225 C226 W227	G160-T225 VanDerWaalsContact CA-CG2 3.43Å; G160-C226 PolarHBondContact N-O 3.33Å; G160-C226 VanDerWaalsContact O-O 3.08Å; G160-W227 WeakPolarHBondContact O-CB 3.39Å
161	G	84.9	Confident	79	Confident	58 Å²	58	53.4 Å²	53.4	60%	0.598	33%	0.332	S	S	*	.	S	Bend	trans	68.4	-164.5	-173.9	0	0	0	0	0	113.1
162	C	89.3	Confident	81.5	Confident	39 Å²	39	49.5 Å²	49.5	26%	0.264	30%	0.304	S	S	.	.			trans	-103.6	99.8	178.5	-176.5	0	0	0	0	110.4	S125 C134	S125-C162 PolarHBondContact O-SG 3.03Å; C134-C162 HydrophobicContact CB-CB 3.93Å; C134-C162 WeakPolarHBondContact CB-SG 3.39Å; C134-C162 VanDerWaalsContact SG-CA 3.6Å; C134-C162 WeakPolarHBondContact SG-CB 3.42Å; C134-C162 CovalentContact SG-SG 2.02Å; C134-C162 PolarHBondContact SG-SG 3.16Å
163	G	91.4	Very high	84	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-73.4	138.9	170.3	0	0	0	0	0	111.5	C134 E135 D165 K228	C134-G163 CarbonylContact C-O 3.52Å; C134-G163 WeakPolarHBondContact CA-O 3.39Å; E135-G163 PolarHBondContact N-O 3.25Å; G163-D165 PolarHBondContact O-N 2.98Å; G163-K228 CarbonylContact C-O 3.57Å; G163-K228 VanDerWaalsContact CA-O 3.29Å; G163-K228 WeakPolarHBondContact CA-O 3.44Å
164	D	94.5	Very high	86.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.011	24%	0.243	C	C	.	.			trans	-69.7	117.7	174.9	-72.6	-24.1	0	0	0	110.1	T121 S125 V166 M208 K228 K229 M230	T121-D164 HydrophobicContact CG2-CB 3.77Å; S125-D164 WeakPolarHBondContact CB-OD1 3.35Å; S125-D164 PolarHBondContact OG-OD1 2.86Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 3.47Å; D164-M208 HydrophobicContact CB-CE 3.86Å; D164-M208 WeakPolarHBondContact O-CE 3.4Å; D164-K228 PolarHBondContact N-O 2.87Å; D164-K229 IonicContact OD1-NZ 3.39Å; D164-K229 PolarHBondContact OD1-NZ 3.2Å; D164-K229 WeakPolarHBondContact OD2-CA 3.42Å; D164-K229 WeakPolarHBondContact OD2-CD 3.5Å; D164-K229 WeakPolarHBondContact OD2-CE 3.38Å; D164-K229 WeakPolarHBondContact OD2-CG 3.46Å; D164-K229 IonicContact OD2-NZ 2.85Å; D164-K229 PolarHBondContact OD2-NZ 3.32Å; D164-M230 HydrophobicContact CB-CG 4.07Å; D164-M230 PolarHBondContact OD2-N 3.45Å
165	D	93.6	Very high	88	Confident	40 Å²	40	42.7 Å²	42.7	21%	0.214	22%	0.22	C	C	.	.			trans	-79	78.2	174	-177.4	5.9	0	0	0	111.1	T121 E135 G163 E167 F168	T121-D165 WeakPolarHBondContact CG2-O 3.41Å; E135-D165 HydrophobicContact CB-CB 4.36Å; G163-D165 PolarHBondContact O-N 2.98Å; D165-E167 PolarHBondContact O-N 3.12Å; D165-E167 WeakPolarHBondContact OD1-CB 3.22Å; D165-E167 PolarHBondContact OD1-N 2.9Å; D165-F168 PolarHBondContact O-N 3.02Å; D165-F168 PolarHBondContact OD1-N 2.59Å; D165-F168 WeakPolarHBondContact OD2-CB 3.42Å
166	V	96.3	Very high	89.5	Confident	17 Å²	17	40.5 Å²	40.5	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-21	-179.4	72.3	0	0	0	0	113	T117 T121 D164 Y170 V204 K205 M208	T117-V166 HydrophobicContact CG2-CG2 4.05Å; T121-V166 HydrophobicContact CG2-CB 4.36Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-V166 PolarHBondContact O-N 3.47Å; V166-Y170 WeakPolarHBondContact O-CB 3.34Å; V166-Y170 PolarHBondContact O-N 3.1Å; V166-V204 HydrophobicContact CG2-CG1 3.99Å; V166-K205 HydrophobicContact CG1-CG 4.18Å; V166-K205 HydrophobicContact CG2-CB 4.2Å; V166-M208 HydrophobicContact CB-CE 4.08Å; V166-M208 HydrophobicContact CB-CG 4.38Å; V166-M208 HydrophobicContact CB-SD 3.81Å; V166-M208 HydrophobicContact CG1-CE 4.15Å; V166-M208 HydrophobicContact CG1-CG 3.96Å; V166-M208 HydrophobicContact CG1-SD 4.03Å; V166-M208 HydrophobicContact CG2-SD 4.08Å
167	E	96	Very high	90.5	Very high	78 Å²	78	35 Å²	35	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-69.2	-42.9	-180	-163.2	63.4	-155.4	0	0	110.8	D165 Y170 E171 K205	D165-E167 PolarHBondContact O-N 3.12Å; D165-E167 WeakPolarHBondContact OD1-CB 3.22Å; D165-E167 PolarHBondContact OD1-N 2.9Å; E167-Y170 PolarHBondContact O-N 2.98Å; E167-E171 WeakPolarHBondContact O-CB 3.23Å; E167-E171 PolarHBondContact O-N 3.02Å; E167-K205 IonicContact OE1-NZ 2.79Å; E167-K205 PolarHBondContact OE1-NZ 2.94Å; E167-K205 WeakPolarHBondContact OE2-CE 3.47Å; E167-K205 IonicContact OE2-NZ 3.98Å; E167-K205 PolarHBondContact OE2-NZ 3.26Å
168	F	95.6	Very high	91.4	Very high	33 Å²	33	34.4 Å²	34.4	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-48.9	175.6	-176.3	-89.2	0	0	0	111.6	I61 V120 C124 Q131 C132 D165 Y170 E171 M172	I61-F168 HydrophobicContact CD1-CE1 4.33Å; I61-F168 HydrophobicContact CD1-CZ 3.87Å; V120-F168 HydrophobicContact CG1-CD1 3.9Å; V120-F168 HydrophobicContact CG1-CE1 3.82Å; C124-F168 WeakPolarHBondContact SG-CD1 3.39Å; C124-F168 VanDerWaalsContact SG-CE1 3.53Å; Q131-F168 HydrophobicContact CB-CZ 4.31Å; C132-F168 HydrophobicContact CB-CD1 3.79Å; C132-F168 HydrophobicContact CB-CD2 3.83Å; C132-F168 HydrophobicContact CB-CE1 3.75Å; C132-F168 HydrophobicContact CB-CE2 3.79Å; C132-F168 HydrophobicContact CB-CG 3.81Å; C132-F168 HydrophobicContact CB-CZ 3.74Å; C132-F168 VanDerWaalsContact SG-CE1 3.57Å; D165-F168 PolarHBondContact O-N 3.02Å; D165-F168 PolarHBondContact OD1-N 2.59Å; D165-F168 WeakPolarHBondContact OD2-CB 3.42Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 3.33Å; F168-E171 PolarHBondContact O-N 2.86Å; F168-M172 HydrophobicContact CD1-CG 4.15Å; F168-M172 HydrophobicContact CD2-CE 4.35Å; F168-M172 HydrophobicContact CE1-CE 4.45Å; F168-M172 HydrophobicContact CE1-CG 3.79Å; F168-M172 HydrophobicContact CE2-CE 3.74Å; F168-M172 HydrophobicContact CZ-CE 3.81Å; F168-M172 HydrophobicContact CZ-CG 4.07Å; F168-M172 WeakPolarHBondContact O-CG 3.11Å; F168-M172 PolarHBondContact O-N 3.17Å
169	G	96.8	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-39.6	177.4	0	0	0	0	0	112.9	T121 M172 S173	T121-G169 WeakPolarHBondContact OG1-CA 3.22Å; G169-M172 PolarHBondContact O-N 3.19Å; G169-S173 WeakPolarHBondContact O-CB 2.95Å; G169-S173 PolarHBondContact O-N 3.1Å
170	Y	98	Very high	90.8	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-48.6	175	172.5	-79.6	0	0	0	111.1	V166 E167 F168 S173 K174 E198 R201 L202 K205	V166-Y170 WeakPolarHBondContact O-CB 3.34Å; V166-Y170 PolarHBondContact O-N 3.1Å; E167-Y170 PolarHBondContact O-N 2.98Å; F168-Y170 VanDerWaalsContact C-N 3.35Å; F168-Y170 PolarHBondContact O-N 3.33Å; Y170-S173 PolarHBondContact O-N 2.99Å; Y170-K174 HydrophobicContact CE1-CD 4Å; Y170-K174 WeakPolarHBondContact O-CB 3.39Å; Y170-K174 PolarHBondContact O-N 3.33Å; Y170-E198 PolarHBondContact OH-OE1 3.1Å; Y170-E198 PolarHBondContact OH-OE2 3.13Å; Y170-R201 HydrophobicContact CD2-CB 3.55Å; Y170-R201 HydrophobicContact CD2-CG 4.28Å; Y170-R201 HydrophobicContact CE2-CB 3.6Å; Y170-R201 HydrophobicContact CE2-CG 4.42Å; Y170-L202 HydrophobicContact CE2-CD2 4.4Å; Y170-K205 HydrophobicContact CD2-CD 3.88Å; Y170-K205 HydrophobicContact CE2-CD 4.35Å; Y170-K205 HydrophobicContact CG-CD 4.3Å
171	E	96	Very high	90	Very high	63 Å²	63	44.5 Å²	44.5	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-37.6	-179.2	-79.1	-61.1	132.1	0	0	112.3	E167 F168 K174 K175	E167-E171 WeakPolarHBondContact O-CB 3.23Å; E167-E171 PolarHBondContact O-N 3.02Å; F168-E171 PolarHBondContact O-N 2.86Å; E171-K174 PolarHBondContact O-N 2.88Å; E171-K174 IonicContact OE1-NZ 3.4Å; E171-K175 WeakPolarHBondContact O-CB 3.38Å; E171-K175 VanDerWaalsContact O-CG 3.24Å; E171-K175 WeakPolarHBondContact O-CG 3.15Å; E171-K175 PolarHBondContact O-N 3.14Å
172	M	94.3	Very high	88.7	Confident	10 Å²	10	51.6 Å²	51.6	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-42.3	175.2	-68.5	-55.4	149.7	0	0	112.2	I61 V120 F168 G169 K174 K175 F176	I61-M172 HydrophobicContact CD1-SD 4.24Å; I61-M172 HydrophobicContact CG2-CB 4.28Å; I61-M172 HydrophobicContact CG2-CG 4.08Å; I61-M172 HydrophobicContact CG2-SD 4.23Å; V120-M172 HydrophobicContact CG1-CB 4.12Å; V120-M172 HydrophobicContact CG1-CG 4.27Å; F168-M172 HydrophobicContact CD1-CG 4.15Å; F168-M172 HydrophobicContact CD2-CE 4.35Å; F168-M172 HydrophobicContact CE1-CE 4.45Å; F168-M172 HydrophobicContact CE1-CG 3.79Å; F168-M172 HydrophobicContact CE2-CE 3.74Å; F168-M172 HydrophobicContact CZ-CE 3.81Å; F168-M172 HydrophobicContact CZ-CG 4.07Å; F168-M172 WeakPolarHBondContact O-CG 3.11Å; F168-M172 PolarHBondContact O-N 3.17Å; G169-M172 PolarHBondContact O-N 3.19Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 2.94Å; M172-K175 HydrophobicContact CE-CD 4.39Å; M172-K175 PolarHBondContact O-N 3.4Å; M172-K175 HydrophobicContact SD-CD 4.22Å; M172-F176 WeakPolarHBondContact O-CB 3.17Å; M172-F176 PolarHBondContact O-N 2.95Å
173	S	95.4	Very high	87.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56	-48.1	172.8	179.8	0	0	0	0	111.1	A113 T117 G169 Y170 F176 M177	A113-S173 PolarHBondContact O-OG 3.28Å; T117-S173 VanDerWaalsContact OG1-CB 3.22Å; T117-S173 WeakPolarHBondContact OG1-CB 3.3Å; T117-S173 PolarHBondContact OG1-OG 3.36Å; G169-S173 WeakPolarHBondContact O-CB 2.95Å; G169-S173 PolarHBondContact O-N 3.1Å; Y170-S173 PolarHBondContact O-N 2.99Å; S173-F176 PolarHBondContact O-N 3.29Å; S173-M177 VanDerWaalsContact O-CB 3.31Å; S173-M177 WeakPolarHBondContact O-CB 3.43Å; S173-M177 WeakPolarHBondContact O-CG 3.41Å; S173-M177 PolarHBondContact O-N 2.82Å
174	K	94.4	Very high	85.4	Confident	77 Å²	77	66 Å²	66	34%	0.335	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-51.2	177.1	-172.1	176.5	-175.8	174.1	0	112.7	Y170 E171 M172 F176 D178	Y170-K174 HydrophobicContact CE1-CD 4Å; Y170-K174 WeakPolarHBondContact O-CB 3.39Å; Y170-K174 PolarHBondContact O-N 3.33Å; E171-K174 PolarHBondContact O-N 2.88Å; E171-K174 IonicContact OE1-NZ 3.4Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 2.94Å; K174-F176 PolarHBondContact O-N 3.38Å; K174-D178 WeakPolarHBondContact O-CB 3.15Å; K174-D178 PolarHBondContact O-N 3.27Å
175	K	91	Very high	83.5	Confident	88 Å²	88	74.7 Å²	74.7	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-39.6	179.8	-76	174.6	-173.6	177.1	0	112	L54 E171 M172	L54-K175 HydrophobicContact CD1-CB 4.2Å; E171-K175 WeakPolarHBondContact O-CB 3.38Å; E171-K175 VanDerWaalsContact O-CG 3.24Å; E171-K175 WeakPolarHBondContact O-CG 3.15Å; E171-K175 PolarHBondContact O-N 3.14Å; M172-K175 HydrophobicContact CE-CD 4.39Å; M172-K175 PolarHBondContact O-N 3.4Å; M172-K175 HydrophobicContact SD-CD 4.22Å
176	F	88.6	Confident	82.2	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.009	34%	0.344	C	S	.	.	H	α-helix	trans	-82	-50.5	-176.6	-172.3	-88.7	0	0	0	113	M35 I40 Q51 L54 V62 V65 M172 S173 K174	M35-F176 HydrophobicContact CE-CE1 4.25Å; M35-F176 HydrophobicContact SD-CE1 4.15Å; I40-F176 HydrophobicContact CD1-CZ 4.18Å; I40-F176 HydrophobicContact CG2-CE2 4.33Å; I40-F176 HydrophobicContact CG2-CZ 3.96Å; Q51-F176 HydrophobicContact CG-CD2 4.26Å; Q51-F176 HydrophobicContact CG-CE2 4.33Å; Q51-F176 WeakPolarHBondContact CG-O 3.07Å; Q51-F176 PolarHBondContact NE2-O 3.03Å; L54-F176 HydrophobicContact CD1-CB 4.09Å; L54-F176 HydrophobicContact CD1-CD2 4.03Å; V62-F176 HydrophobicContact CG1-CE2 4.12Å; V62-F176 HydrophobicContact CG2-CE2 4.35Å; V65-F176 HydrophobicContact CG1-CB 4.5Å; V65-F176 HydrophobicContact CG1-CD1 3.47Å; V65-F176 VanDerWaalsContact CG1-CD1 3.47Å; V65-F176 HydrophobicContact CG1-CD2 4.21Å; V65-F176 HydrophobicContact CG1-CE1 3.52Å; V65-F176 HydrophobicContact CG1-CE2 4.26Å; V65-F176 HydrophobicContact CG1-CG 3.81Å; V65-F176 HydrophobicContact CG1-CZ 3.91Å; V65-F176 HydrophobicContact CG2-CG 4.48Å; M172-F176 WeakPolarHBondContact O-CB 3.17Å; M172-F176 PolarHBondContact O-N 2.95Å; S173-F176 PolarHBondContact O-N 3.29Å; K174-F176 PolarHBondContact O-N 3.38Å
177	M	89.6	Confident	81.6	Confident	27 Å²	27	77.8 Å²	77.8	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-79	-29.4	-172.6	-64.9	-171	61.6	0	0	113	T112 A113 V116 S173	T112-M177 HydrophobicContact CG2-CE 3.7Å; T112-M177 HydrophobicContact CG2-SD 4.26Å; A113-M177 WeakPolarHBondContact CA-SD 3.02Å; A113-M177 HydrophobicContact CB-CE 3.96Å; A113-M177 HydrophobicContact CB-SD 3.79Å; V116-M177 HydrophobicContact CB-SD 4.29Å; V116-M177 HydrophobicContact CG2-SD 3.88Å; S173-M177 VanDerWaalsContact O-CB 3.31Å; S173-M177 WeakPolarHBondContact O-CB 3.43Å; S173-M177 WeakPolarHBondContact O-CG 3.41Å; S173-M177 PolarHBondContact O-N 2.82Å
178	D	89.9	Confident	81.1	Confident	27 Å²	27	77.5 Å²	77.5	14%	0.144	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	5.5	-176	-57.5	0	0	0	0	112.2	K174 K180 R181 L194 N197 R201	K174-D178 WeakPolarHBondContact O-CB 3.15Å; K174-D178 PolarHBondContact O-N 3.27Å; D178-K180 PolarHBondContact O-N 3Å; D178-K180 VanDerWaalsContact O-N 3.09Å; D178-R181 PolarHBondContact O-N 3.03Å; D178-L194 HydrophobicContact CB-CD2 3.35Å; D178-N197 PolarHBondContact OD1-ND2 3.09Å; D178-R201 IonicContact OD1-CZ 2.96Å; D178-R201 IonicContact OD1-NH1 3.84Å; D178-R201 PolarHBondContact OD1-NH1 3.25Å; D178-R201 VanDerWaalsContact OD1-NH1 3.09Å; D178-R201 IonicContact OD1-NH2 3.37Å; D178-R201 IonicContact OD2-CZ 2.88Å; D178-R201 IonicContact OD2-NH1 3.36Å; D178-R201 PolarHBondContact OD2-NH1 3.04Å; D178-R201 IonicContact OD2-NH2 3.09Å; D178-R201 PolarHBondContact OD2-NH2 2.82Å
179	A	80.1	Confident	80.8	Confident	26 Å²	26	78.5 Å²	78.5	22%	0.215	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.2	-175.8	0	0	0	0	0	114.8	K50 Q51 R181	K50-A179 HydrophobicContact CB-CB 4.02Å; Q51-A179 HydrophobicContact CG-CB 3.62Å; A179-R181 PolarHBondContact O-N 2.92Å
180	K	68.6	Low	80.4	Confident	147 Å²	147	79.9 Å²	79.9	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-3.7	-179.1	-73.8	-172.6	178.7	177.9	0	114.3	D178 R182	D178-K180 PolarHBondContact O-N 3Å; D178-K180 VanDerWaalsContact O-N 3.09Å; K180-R182 PolarHBondContact O-N 3.11Å
181	R	65	Low	80.1	Confident	185 Å²	185	80.6 Å²	80.6	70%	0.698	38%	0.377	S	S	*	.			trans	-62.2	101.7	176.2	-173	178.7	177.8	-170.6	-0	110.9	D178 A179	D178-R181 PolarHBondContact O-N 3.03Å; A179-R181 PolarHBondContact O-N 2.92Å
182	R	59.4	Low	80	Confident	208 Å²	208	77.8 Å²	77.8	79%	0.785	36%	0.364	S	S	*	.			trans	-72.8	132.1	171	-67.4	-175.9	174.9	-178.9	-1.8	109.5	K180 G184	K180-R182 PolarHBondContact O-N 3.11Å; R182-G184 PolarHBondContact O-N 3.25Å
183	R	55.6	Low	79.9	Confident	259 Å²	259	78.2 Å²	78.2	98%	0.977	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	121.9	170.5	-86.8	-178.7	169.4	160.7	-3.7	108.6
184	G	54.7	Low	79.8	Confident	81 Å²	81	79.9 Å²	79.9	84%	0.835	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	-17.5	166.6	0	0	0	0	0	118	R182	R182-G184 PolarHBondContact O-N 3.25Å
185	K	55.1	Low	79.9	Confident	186 Å²	186	78.1 Å²	78.1	81%	0.809	37%	0.368	S	S	*	.			trans	-150.6	104.2	172	-83.5	-176.4	176.8	177.3	0	109.8
186	S	66.8	Low	80.2	Confident	34 Å²	34	73.9 Å²	73.9	24%	0.238	35%	0.35	C	S	.	.			trans	-99.8	122.4	165.6	47.9	0	0	0	0	108.4
187	D	82.8	Confident	80.6	Confident	88 Å²	88	74 Å²	74	47%	0.471	35%	0.351	S	S	.	.			trans	-66	153.3	166	58	-28.3	0	0	0	110.3	R189 T190 L191	D187-R189 PolarHBondContact O-N 2.94Å; D187-T190 PolarHBondContact O-N 3.24Å; D187-T190 WeakPolarHBondContact OD1-CB 3.21Å; D187-T190 PolarHBondContact OD1-N 3.17Å; D187-T190 PolarHBondContact OD1-OG1 3.37Å; D187-L191 PolarHBondContact O-N 2.98Å
188	I	86.6	Confident	81.1	Confident	72 Å²	72	74.3 Å²	74.3	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-52.3	-42.3	-179.6	-66.3	163.2	0	0	0	110.6	T190 L191 I192 L259	I188-T190 PolarHBondContact O-N 2.96Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.92Å; I188-L191 VanDerWaalsContact O-N 3.1Å; I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 HydrophobicContact CG2-CG1 4.43Å; I188-I192 WeakPolarHBondContact O-CG1 3.5Å; I188-I192 PolarHBondContact O-N 3.43Å; I188-L259 HydrophobicContact CG2-CD2 3.9Å
189	R	88.1	Confident	81.5	Confident	53 Å²	53	73.1 Å²	73.1	20%	0.2	35%	0.345	C	S	.	.	H	α-helix	trans	-54.8	-45.6	174.2	174.7	173.9	-156.8	107.3	10.9	113.4	L98 Q99 Q100 D101 D187 L191 I192 N193	L98-R189 PolarHBondContact O-NH2 3.24Å; Q99-R189 VanDerWaalsContact O-CZ 3.28Å; Q99-R189 PolarHBondContact O-NH1 3.45Å; Q99-R189 PolarHBondContact O-NH2 3.42Å; Q99-R189 VanDerWaalsContact O-NH2 3.16Å; Q100-R189 PolarHBondContact O-NH2 3.16Å; D101-R189 VanDerWaalsContact OD1-CG 3.31Å; D101-R189 WeakPolarHBondContact OD1-CG 3.49Å; D101-R189 IonicContact OD1-CZ 3.64Å; D101-R189 IonicContact OD1-NE 2.82Å; D101-R189 PolarHBondContact OD1-NE 3.09Å; D101-R189 IonicContact OD1-NH1 3.02Å; D101-R189 PolarHBondContact OD1-NH1 2.64Å; D101-R189 IonicContact OD1-NH2 3.26Å; D101-R189 PolarHBondContact OD1-NH2 2.03Å; D101-R189 WeakPolarHBondContact OD2-CB 3.47Å; D101-R189 IonicContact OD2-CZ 3.96Å; D101-R189 IonicContact OD2-NE 3.17Å; D101-R189 IonicContact OD2-NH1 3.1Å; D101-R189 PolarHBondContact OD2-NH1 3.13Å; D187-R189 PolarHBondContact O-N 2.94Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.1Å; R189-I192 PolarHBondContact O-N 3.46Å; R189-N193 WeakPolarHBondContact O-CB 2.99Å; R189-N193 PolarHBondContact O-N 3.38Å; R189-N193 PolarHBondContact O-ND2 2.88Å; R189-N193 VanDerWaalsContact O-ND2 3.12Å
190	T	88.8	Confident	82.4	Confident	29 Å²	29	71.9 Å²	71.9	18%	0.178	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-40.3	177	-69.5	0	0	0	0	110.8	D187 I188 N193 L194	D187-T190 PolarHBondContact O-N 3.24Å; D187-T190 WeakPolarHBondContact OD1-CB 3.21Å; D187-T190 PolarHBondContact OD1-N 3.17Å; D187-T190 PolarHBondContact OD1-OG1 3.37Å; I188-T190 PolarHBondContact O-N 2.96Å; T190-N193 PolarHBondContact O-N 3.45Å; T190-L194 HydrophobicContact CG2-CD1 3.86Å; T190-L194 HydrophobicContact CG2-CG 4.17Å; T190-L194 WeakPolarHBondContact O-CB 3.31Å; T190-L194 WeakPolarHBondContact O-CG 3.37Å; T190-L194 PolarHBondContact O-N 3.45Å
191	L	91.3	Very high	83.8	Confident	31 Å²	31	65 Å²	65	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-43.6	177.2	-63.1	173.4	0	0	0	111.9	D187 I188 R189 L194 H195 K257 L259	D187-L191 PolarHBondContact O-N 2.98Å; I188-L191 WeakPolarHBondContact O-CB 3.41Å; I188-L191 PolarHBondContact O-N 2.92Å; I188-L191 VanDerWaalsContact O-N 3.1Å; R189-L191 VanDerWaalsContact C-N 3.31Å; R189-L191 PolarHBondContact O-N 3.1Å; L191-L194 PolarHBondContact O-N 3.44Å; L191-H195 PolarHBondContact O-N 2.85Å; L191-K257 WeakPolarHBondContact CD1-O 3.46Å; L191-L259 HydrophobicContact CB-CD1 3.98Å; L191-L259 HydrophobicContact CB-CD2 4.22Å; L191-L259 HydrophobicContact CB-CG 4.25Å; L191-L259 HydrophobicContact CD1-CD2 4.41Å
192	I	93.2	Very high	85.4	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-49	175.2	-71.5	170.6	0	0	0	110.8	I188 R189 L194 H195 N196 V250 L259 I275	I188-I192 HydrophobicContact CG2-CD1 3.84Å; I188-I192 HydrophobicContact CG2-CG1 4.43Å; I188-I192 WeakPolarHBondContact O-CG1 3.5Å; I188-I192 PolarHBondContact O-N 3.43Å; R189-I192 PolarHBondContact O-N 3.46Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 3.47Å; I192-H195 PolarHBondContact O-N 3.03Å; I192-N196 WeakPolarHBondContact CG2-ND2 3.23Å; I192-N196 PolarHBondContact O-N 3.33Å; I192-N196 PolarHBondContact O-ND2 2.97Å; I192-V250 HydrophobicContact CD1-CG2 3.93Å; I192-V250 HydrophobicContact CG1-CG2 3.98Å; I192-L259 HydrophobicContact CG1-CD1 4.05Å; I192-L259 HydrophobicContact CG1-CD2 4.25Å; I192-I275 HydrophobicContact CG1-CD1 4.32Å; I192-I275 HydrophobicContact CG1-CG1 4.38Å; I192-I275 HydrophobicContact CG2-CG1 4.22Å; I192-I275 WeakPolarHBondContact CG2-O 3.42Å
193	N	92.9	Very high	87.2	Confident	19 Å²	19	47.8 Å²	47.8	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-39.8	179.7	-67.3	-27.5	0	0	0	112.2	Y109 R189 T190 N196 N197	Y109-N193 HydrophobicContact CD1-CB 4.38Å; Y109-N193 VanDerWaalsContact CD2-OD1 3.24Å; Y109-N193 WeakPolarHBondContact CD2-OD1 3.43Å; Y109-N193 HydrophobicContact CE1-CB 4.4Å; Y109-N193 WeakPolarHBondContact CE2-OD1 3.4Å; R189-N193 WeakPolarHBondContact O-CB 2.99Å; R189-N193 PolarHBondContact O-N 3.38Å; R189-N193 PolarHBondContact O-ND2 2.88Å; R189-N193 VanDerWaalsContact O-ND2 3.12Å; T190-N193 PolarHBondContact O-N 3.45Å; N193-N196 PolarHBondContact O-N 2.88Å; N193-N197 VanDerWaalsContact O-CB 3.31Å; N193-N197 WeakPolarHBondContact O-CB 3.23Å; N193-N197 PolarHBondContact O-N 2.83Å; N193-N197 PolarHBondContact O-ND2 2.99Å; N193-N197 PolarHBondContact O-OD1 3.13Å
194	L	93.7	Very high	89.3	Confident	36 Å²	36	35.5 Å²	35.5	19%	0.188	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-41.7	175.4	-72.1	173.1	0	0	0	111.9	D178 T190 L191 I192 E198	D178-L194 HydrophobicContact CB-CD2 3.35Å; T190-L194 HydrophobicContact CG2-CD1 3.86Å; T190-L194 HydrophobicContact CG2-CG 4.17Å; T190-L194 WeakPolarHBondContact O-CB 3.31Å; T190-L194 WeakPolarHBondContact O-CG 3.37Å; T190-L194 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 3.44Å; I192-L194 VanDerWaalsContact C-N 3.34Å; I192-L194 PolarHBondContact O-N 3.47Å; L194-E198 WeakPolarHBondContact O-CB 3.31Å; L194-E198 PolarHBondContact O-N 2.82Å
195	H	95.9	Very high	91.3	Very high	39 Å²	39	34.6 Å²	34.6	18%	0.181	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-49.4	176.3	-178.5	100.9	0	0	0	111.4	L191 I192 N197 E198 A199 D270 D273 I275	L191-H195 PolarHBondContact O-N 2.85Å; I192-H195 PolarHBondContact O-N 3.03Å; H195-N197 PolarHBondContact O-N 3.26Å; H195-E198 WeakPolarHBondContact O-CA 3.22Å; H195-E198 WeakPolarHBondContact O-CB 3.36Å; H195-E198 PolarHBondContact O-N 3.36Å; H195-A199 PolarHBondContact O-N 3.38Å; H195-D270 PolarHBondContact CE1-O 3.05Å; H195-D270 PolarHBondContact NE2-O 3.47Å; H195-D273 PolarHBondContact CD2-O 3.39Å; H195-D273 PolarHBondContact NE2-O 3.07Å; H195-I275 HydrophobicContact CB-CD1 3.62Å; H195-I275 HydrophobicContact CB-CG1 4.17Å; H195-I275 VanDerWaalsContact CG-CD1 3.43Å
196	N	97.8	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-38.7	-179.8	-68.4	-34.4	0	0	0	112.1	A106 A110 I192 N193 E198 A199 G200 L274 I275	A106-N196 WeakPolarHBondContact CA-ND2 3.29Å; A106-N196 VanDerWaalsContact CB-ND2 3.26Å; A106-N196 WeakPolarHBondContact CB-ND2 3.03Å; A110-N196 WeakPolarHBondContact CA-O 3.41Å; A110-N196 VanDerWaalsContact CB-O 3.23Å; A110-N196 WeakPolarHBondContact CB-O 3.34Å; I192-N196 WeakPolarHBondContact CG2-ND2 3.23Å; I192-N196 PolarHBondContact O-N 3.33Å; I192-N196 PolarHBondContact O-ND2 2.97Å; N193-N196 PolarHBondContact O-N 2.88Å; N196-E198 VanDerWaalsContact C-N 3.27Å; N196-E198 PolarHBondContact O-N 3.04Å; N196-A199 PolarHBondContact O-N 2.93Å; N196-G200 PolarHBondContact O-N 3.41Å; N196-L274 HydrophobicContact CB-CD2 4.38Å; N196-L274 WeakPolarHBondContact OD1-CA 3.49Å; N196-I275 PolarHBondContact ND2-O 3.35Å; N196-I275 PolarHBondContact OD1-N 3.42Å; N196-I275 PolarHBondContact OD1-O 3.34Å
197	N	97.9	Very high	94.7	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.027	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-42.4	171.5	-72.8	-11.6	0	0	0	110.9	Y109 A113 D178 N193 H195 G200 R201	Y109-N197 WeakPolarHBondContact CB-OD1 3.4Å; Y109-N197 PolarHBondContact O-OD1 2.93Å; A113-N197 HydrophobicContact CB-CB 3.94Å; A113-N197 WeakPolarHBondContact CB-O 3.42Å; D178-N197 PolarHBondContact OD1-ND2 3.09Å; N193-N197 VanDerWaalsContact O-CB 3.31Å; N193-N197 WeakPolarHBondContact O-CB 3.23Å; N193-N197 PolarHBondContact O-N 2.83Å; N193-N197 PolarHBondContact O-ND2 2.99Å; N193-N197 PolarHBondContact O-OD1 3.13Å; H195-N197 PolarHBondContact O-N 3.26Å; N197-G200 PolarHBondContact O-N 3.06Å; N197-R201 WeakPolarHBondContact O-CG 3.17Å; N197-R201 PolarHBondContact O-N 2.88Å
198	E	98.3	Very high	95.3	Very high	32 Å²	32	27.8 Å²	27.8	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-46.2	178.2	-174.8	60.1	-167.5	0	0	112.4	Y170 L194 H195 N196 G200 R201 L202	Y170-E198 PolarHBondContact OH-OE1 3.1Å; Y170-E198 PolarHBondContact OH-OE2 3.13Å; L194-E198 WeakPolarHBondContact O-CB 3.31Å; L194-E198 PolarHBondContact O-N 2.82Å; H195-E198 WeakPolarHBondContact O-CA 3.22Å; H195-E198 WeakPolarHBondContact O-CB 3.36Å; H195-E198 PolarHBondContact O-N 3.36Å; N196-E198 VanDerWaalsContact C-N 3.27Å; N196-E198 PolarHBondContact O-N 3.04Å; E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 2.87Å; E198-R201 PolarHBondContact O-N 2.84Å; E198-R201 VanDerWaalsContact O-N 3.13Å; E198-R201 IonicContact OE2-CZ 3.18Å; E198-R201 IonicContact OE2-NE 2.75Å; E198-R201 PolarHBondContact OE2-NE 2.71Å; E198-R201 IonicContact OE2-NH2 3.02Å; E198-R201 PolarHBondContact OE2-NH2 3.17Å; E198-L202 HydrophobicContact CG-CD1 4.08Å; E198-L202 HydrophobicContact CG-CG 4.33Å; E198-L202 WeakPolarHBondContact O-CB 3.49Å; E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.31Å
199	A	98.6	Very high	95.6	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-55.3	-43.5	174.7	0	0	0	0	0	111.5	H195 N196 L202 A203 K271 D273 L274	H195-A199 PolarHBondContact O-N 3.38Å; N196-A199 PolarHBondContact O-N 2.93Å; A199-L202 PolarHBondContact O-N 2.78Å; A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 2.92Å; A199-K271 WeakPolarHBondContact CA-O 3.47Å; A199-K271 WeakPolarHBondContact CB-O 3.5Å; A199-K271 PolarHBondContact N-O 3.39Å; A199-D273 WeakPolarHBondContact CB-O 3.44Å; A199-L274 HydrophobicContact CB-CD2 3.81Å
200	G	98.6	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-48.9	173.7	0	0	0	0	0	113.9	A110 A114 N196 N197 E198 L202 A203	A110-G200 VanDerWaalsContact O-CA 3.23Å; A110-G200 WeakPolarHBondContact O-CA 3.4Å; A114-G200 VanDerWaalsContact CB-O 3.23Å; A114-G200 WeakPolarHBondContact CB-O 3.38Å; N196-G200 PolarHBondContact O-N 3.41Å; N197-G200 PolarHBondContact O-N 3.06Å; E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 2.87Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-L202 PolarHBondContact O-N 2.89Å; G200-A203 WeakPolarHBondContact O-CB 3.43Å; G200-A203 PolarHBondContact O-N 3.36Å
201	R	98.7	Very high	95.7	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-41.3	178.1	-69.6	-173.8	-73.6	-101.3	4	112.1	A113 T117 Y170 D178 N197 E198 A203 V204 K205	A113-R201 HydrophobicContact CB-CG 4.15Å; T117-R201 WeakPolarHBondContact OG1-CG 3.25Å; Y170-R201 HydrophobicContact CD2-CB 3.55Å; Y170-R201 HydrophobicContact CD2-CG 4.28Å; Y170-R201 HydrophobicContact CE2-CB 3.6Å; Y170-R201 HydrophobicContact CE2-CG 4.42Å; D178-R201 IonicContact OD1-CZ 2.96Å; D178-R201 IonicContact OD1-NH1 3.84Å; D178-R201 PolarHBondContact OD1-NH1 3.25Å; D178-R201 VanDerWaalsContact OD1-NH1 3.09Å; D178-R201 IonicContact OD1-NH2 3.37Å; D178-R201 IonicContact OD2-CZ 2.88Å; D178-R201 IonicContact OD2-NH1 3.36Å; D178-R201 PolarHBondContact OD2-NH1 3.04Å; D178-R201 IonicContact OD2-NH2 3.09Å; D178-R201 PolarHBondContact OD2-NH2 2.82Å; N197-R201 WeakPolarHBondContact O-CG 3.17Å; N197-R201 PolarHBondContact O-N 2.88Å; E198-R201 PolarHBondContact O-N 2.84Å; E198-R201 VanDerWaalsContact O-N 3.13Å; E198-R201 IonicContact OE2-CZ 3.18Å; E198-R201 IonicContact OE2-NE 2.75Å; E198-R201 PolarHBondContact OE2-NE 2.71Å; E198-R201 IonicContact OE2-NH2 3.02Å; E198-R201 PolarHBondContact OE2-NH2 3.17Å; R201-A203 VanDerWaalsContact C-N 3.34Å; R201-V204 PolarHBondContact O-N 3.5Å; R201-K205 PolarHBondContact O-N 3.24Å; R201-K205 VanDerWaalsContact O-N 3.13Å
202	L	98.6	Very high	95.6	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.12	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-36.5	177.5	-69.7	178.5	0	0	0	111.9	Y170 E198 A199 G200 V204 K205 I206 K271 Q272	Y170-L202 HydrophobicContact CE2-CD2 4.4Å; E198-L202 HydrophobicContact CG-CD1 4.08Å; E198-L202 HydrophobicContact CG-CG 4.33Å; E198-L202 WeakPolarHBondContact O-CB 3.49Å; E198-L202 WeakPolarHBondContact O-CG 3.35Å; E198-L202 PolarHBondContact O-N 3.31Å; A199-L202 PolarHBondContact O-N 2.78Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-L202 PolarHBondContact O-N 2.89Å; L202-V204 PolarHBondContact O-N 3Å; L202-V204 VanDerWaalsContact O-N 3.1Å; L202-K205 PolarHBondContact O-N 3.31Å; L202-K205 VanDerWaalsContact O-N 3.14Å; L202-I206 HydrophobicContact CB-CG2 4.35Å; L202-I206 HydrophobicContact CD2-CG2 4.19Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.48Å; L202-K271 HydrophobicContact CD1-CB 3.69Å; L202-Q272 HydrophobicContact CD1-CG 4.36Å
203	A	98.3	Very high	95.4	Very high	9 Å²	9	36.9 Å²	36.9	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-29.9	177.1	0	0	0	0	0	113	A199 G200 R201 H207 V236 L240	A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 2.92Å; G200-A203 WeakPolarHBondContact O-CB 3.43Å; G200-A203 PolarHBondContact O-N 3.36Å; R201-A203 VanDerWaalsContact C-N 3.34Å; A203-H207 PolarHBondContact O-ND1 2.75Å; A203-V236 HydrophobicContact CB-CG1 4.05Å; A203-L240 HydrophobicContact CB-CD1 4.39Å; A203-L240 HydrophobicContact CB-CD2 3.88Å; A203-L240 HydrophobicContact CB-CG 4.01Å
204	V	98.4	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-82.5	-55	171.1	-173.9	0	0	0	0	111.2	A114 T117 V166 R201 L202 I206 H207 M230 V236	A114-V204 HydrophobicContact CB-CG2 3.93Å; T117-V204 HydrophobicContact CG2-CB 4.17Å; T117-V204 HydrophobicContact CG2-CG1 4.17Å; V166-V204 HydrophobicContact CG2-CG1 3.99Å; R201-V204 PolarHBondContact O-N 3.5Å; L202-V204 PolarHBondContact O-N 3Å; L202-V204 VanDerWaalsContact O-N 3.1Å; V204-I206 PolarHBondContact O-N 3.46Å; V204-H207 PolarHBondContact O-N 3.42Å; V204-M230 HydrophobicContact CG1-CB 4.49Å; V204-M230 HydrophobicContact CG1-CG 4.09Å; V204-M230 HydrophobicContact CG1-SD 3.9Å; V204-V236 HydrophobicContact CG2-CG1 4.04Å; V204-V236 HydrophobicContact CG2-CG2 4.23Å
205	K	97.6	Very high	94.8	Very high	63 Å²	63	40.7 Å²	40.7	27%	0.274	20%	0.202	S	C	.	.	H	α-helix	trans	-60.8	-43.3	-169.9	178.5	171.5	173.3	170.9	0	113.8	V166 E167 Y170 R201 L202 H207 M208	V166-K205 HydrophobicContact CG1-CG 4.18Å; V166-K205 HydrophobicContact CG2-CB 4.2Å; E167-K205 IonicContact OE1-NZ 2.79Å; E167-K205 PolarHBondContact OE1-NZ 2.94Å; E167-K205 WeakPolarHBondContact OE2-CE 3.47Å; E167-K205 IonicContact OE2-NZ 3.98Å; E167-K205 PolarHBondContact OE2-NZ 3.26Å; Y170-K205 HydrophobicContact CD2-CD 3.88Å; Y170-K205 HydrophobicContact CE2-CD 4.35Å; Y170-K205 HydrophobicContact CG-CD 4.3Å; R201-K205 PolarHBondContact O-N 3.24Å; R201-K205 VanDerWaalsContact O-N 3.13Å; L202-K205 PolarHBondContact O-N 3.31Å; L202-K205 VanDerWaalsContact O-N 3.14Å; K205-H207 VanDerWaalsContact C-N 3.33Å; K205-M208 VanDerWaalsContact O-CG 3.22Å; K205-M208 WeakPolarHBondContact O-CG 3.32Å
206	I	96.9	Very high	94.2	Very high	82 Å²	82	39.6 Å²	39.6	42%	0.421	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.4	-174.6	76.3	-167.9	0	0	0	112.7	L202 V204 Q272	L202-I206 HydrophobicContact CB-CG2 4.35Å; L202-I206 HydrophobicContact CD2-CG2 4.19Å; L202-I206 VanDerWaalsContact O-CG1 3.24Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.48Å; V204-I206 PolarHBondContact O-N 3.46Å; I206-Q272 HydrophobicContact CD1-CG 4.14Å
207	H	96.1	Very high	93.7	Very high	57 Å²	57	47.1 Å²	47.1	26%	0.264	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	21.6	-177.2	-62.3	102.1	0	0	0	112.9	A203 V204 K205 R209 P231	A203-H207 PolarHBondContact O-ND1 2.75Å; V204-H207 PolarHBondContact O-N 3.42Å; K205-H207 VanDerWaalsContact C-N 3.33Å; H207-R209 PolarHBondContact O-N 2.89Å; H207-P231 HydrophobicContact CB-CG 4.19Å
208	M	94.5	Very high	93.1	Very high	25 Å²	25	53.6 Å²	53.6	12%	0.123	29%	0.286	C	S	.	.			trans	-62.3	120.5	172.7	-68.2	-73.7	-68.8	0	0	110.9	D164 V166 K205 K228 M230	D164-M208 HydrophobicContact CB-CE 3.86Å; D164-M208 WeakPolarHBondContact O-CE 3.4Å; V166-M208 HydrophobicContact CB-CE 4.08Å; V166-M208 HydrophobicContact CB-CG 4.38Å; V166-M208 HydrophobicContact CB-SD 3.81Å; V166-M208 HydrophobicContact CG1-CE 4.15Å; V166-M208 HydrophobicContact CG1-CG 3.96Å; V166-M208 HydrophobicContact CG1-SD 4.03Å; V166-M208 HydrophobicContact CG2-SD 4.08Å; K205-M208 VanDerWaalsContact O-CG 3.22Å; K205-M208 WeakPolarHBondContact O-CG 3.32Å; M208-K228 HydrophobicContact CE-CB 3.94Å; M208-K228 PolarHBondContact O-NZ 2.88Å; M208-M230 HydrophobicContact CE-CG 4.25Å; M208-M230 VanDerWaalsContact SD-CA 3.52Å; M208-M230 HydrophobicContact SD-CB 4.07Å; M208-M230 HydrophobicContact SD-CG 3.49Å; M208-M230 WeakPolarHBondContact SD-CG 3.13Å
209	R	92.6	Very high	92.2	Very high	81 Å²	81	54.9 Å²	54.9	31%	0.306	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	153	-179.1	63.4	-176	-173.5	-157.8	4.1	111.6	H207 E211 K228 K229 H232 E235	H207-R209 PolarHBondContact O-N 2.89Å; R209-E211 HydrophobicContact CG-CG 4.18Å; R209-E211 IonicContact CZ-OE1 2.75Å; R209-E211 IonicContact NE-OE1 2.59Å; R209-E211 PolarHBondContact NE-OE1 3.47Å; R209-E211 IonicContact NH2-OE1 2.89Å; R209-E211 PolarHBondContact NH2-OE1 3.33Å; R209-K228 CarbonylContact O-C 3.56Å; R209-K228 WeakPolarHBondContact O-CA 3.39Å; R209-K229 HydrophobicContact CG-CB 4.46Å; R209-K229 PolarHBondContact N-O 2.51Å; R209-K229 PolarHBondContact O-N 3.31Å; R209-H232 PolarHBondContact NH1-CD2 2.94Å; R209-H232 PolarHBondContact NH2-NE2 3.12Å; R209-E235 IonicContact NH1-OE1 2.61Å; R209-E235 PolarHBondContact NH1-OE1 3.06Å
210	T	89.5	Confident	91.5	Very high	61 Å²	61	56.9 Å²	56.9	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.4	169.5	-56.6	0	0	0	0	107.6	W159 C226 W227 K228	W159-T210 HydrophobicContact CH2-CG2 4.45Å; W159-T210 HydrophobicContact CZ3-CG2 4.25Å; T210-C226 HydrophobicContact CG2-CB 3.71Å; T210-W227 WeakPolarHBondContact CA-O 3.08Å; T210-K228 PolarHBondContact OG1-NZ 2.96Å
211	E	90.3	Very high	90.9	Very high	57 Å²	57	59.6 Å²	59.6	27%	0.266	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.7	171.3	-69.6	-175.5	176.6	0	0	109.2	R209 C226 W227 K229	R209-E211 HydrophobicContact CG-CG 4.18Å; R209-E211 IonicContact CZ-OE1 2.75Å; R209-E211 IonicContact NE-OE1 2.59Å; R209-E211 PolarHBondContact NE-OE1 3.47Å; R209-E211 IonicContact NH2-OE1 2.89Å; R209-E211 PolarHBondContact NH2-OE1 3.33Å; E211-C226 CarbonylContact O-C 3.51Å; E211-C226 WeakPolarHBondContact O-CA 3.25Å; E211-C226 VanDerWaalsContact O-CB 3.28Å; E211-C226 WeakPolarHBondContact O-CB 3.44Å; E211-W227 PolarHBondContact N-O 2.72Å; E211-W227 PolarHBondContact O-N 3.05Å; E211-K229 HydrophobicContact CG-CB 3.94Å
212	C	88.9	Confident	90	Very high	58 Å²	58	64.3 Å²	64.3	39%	0.392	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.1	-177.7	-58.7	0	0	0	0	110.8	R224 T225 C226	C212-R224 HydrophobicContact CB-CG 4.42Å; C212-T225 CarbonylContact C-O 3.5Å; C212-T225 VanDerWaalsContact CA-O 3.29Å; C212-T225 WeakPolarHBondContact CA-O 3.43Å; C212-C226 HydrophobicContact CB-CB 4.01Å; C212-C226 WeakPolarHBondContact CB-SG 3.42Å; C212-C226 WeakPolarHBondContact SG-CB 3.42Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 2.9Å
213	K	89	Confident	89.3	Confident	122 Å²	122	66.5 Å²	66.5	53%	0.53	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	169.1	-175.5	174.7	-178.5	179.1	0	110.1	H215 R224 T225 W227	K213-H215 PolarHBondContact O-CD2 3.26Å; K213-R224 CarbonylContact O-C 3.56Å; K213-R224 WeakPolarHBondContact O-CA 3.45Å; K213-R224 WeakPolarHBondContact O-CB 3.48Å; K213-T225 PolarHBondContact N-O 2.92Å; K213-T225 PolarHBondContact O-N 3.33Å; K213-W227 HydrophobicContact CB-CH2 3.76Å; K213-W227 HydrophobicContact CB-CZ3 4.03Å
214	C	89.4	Confident	88.7	Confident	38 Å²	38	70 Å²	70	26%	0.257	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.7	176.9	-64.2	0	0	0	0	111.1	C221	C214-C221 HydrophobicContact CB-CB 3.83Å; C214-C221 WeakPolarHBondContact CB-SG 3.25Å; C214-C221 WeakPolarHBondContact SG-CB 3.24Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 2.73Å
215	H	84.8	Confident	88.1	Confident	98 Å²	98	71.5 Å²	71.5	45%	0.454	40%	0.401	S	S	.	.			trans	-126.4	18.6	-171.5	-70.2	-73.2	0	0	0	113.9	K213 L223	K213-H215 PolarHBondContact O-CD2 3.26Å; H215-L223 PolarHBondContact N-O 3.41Å
216	G	83.2	Confident	87.7	Confident	16 Å²	16	68.5 Å²	68.5	17%	0.165	39%	0.388	C	S	.	.	S	Bend	trans	-82.3	165.7	178.3	0	0	0	0	0	114.1	S218 G219 S220	G216-S218 PolarHBondContact O-N 3.37Å; G216-G219 PolarHBondContact O-N 3.34Å; G216-S220 VanDerWaalsContact C-OG 3.28Å; G216-S220 WeakPolarHBondContact CA-O 3.34Å; G216-S220 VanDerWaalsContact CA-OG 3.31Å; G216-S220 WeakPolarHBondContact CA-OG 3.24Å; G216-S220 PolarHBondContact N-O 2.94Å
217	L	88.1	Confident	87.3	Confident	158 Å²	158	67 Å²	67	83%	0.827	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-51	133.3	174.1	-75.3	163.1	0	0	0	110.1	G219 S220	L217-G219 PolarHBondContact O-N 2.95Å; L217-G219 VanDerWaalsContact O-N 3.13Å; L217-S220 PolarHBondContact N-OG 2.94Å; L217-S220 WeakPolarHBondContact O-CB 3.38Å; L217-S220 PolarHBondContact O-N 3.16Å; L217-S220 VanDerWaalsContact O-N 3.1Å; L217-S220 PolarHBondContact O-OG 3.24Å
218	S	84.8	Confident	87.1	Confident	140 Å²	140	67.2 Å²	67.2	98%	0.979	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	54.3	27	-178.3	-55.1	0	0	0	0	115.1	G216	G216-S218 PolarHBondContact O-N 3.37Å
219	G	79.7	Confident	87.1	Confident	59 Å²	59	68.9 Å²	68.9	61%	0.608	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	85.6	11.1	179.6	0	0	0	0	0	114.8	G216 L217	G216-G219 PolarHBondContact O-N 3.34Å; L217-G219 PolarHBondContact O-N 2.95Å; L217-G219 VanDerWaalsContact O-N 3.13Å
220	S	84.4	Confident	87.3	Confident	44 Å²	44	65.5 Å²	65.5	31%	0.308	37%	0.372	S	S	.	.			trans	-62.8	153.5	173.2	55.5	0	0	0	0	112.4	G216 L217	G216-S220 VanDerWaalsContact C-OG 3.28Å; G216-S220 WeakPolarHBondContact CA-O 3.34Å; G216-S220 VanDerWaalsContact CA-OG 3.31Å; G216-S220 WeakPolarHBondContact CA-OG 3.24Å; G216-S220 PolarHBondContact N-O 2.94Å; L217-S220 PolarHBondContact N-OG 2.94Å; L217-S220 WeakPolarHBondContact O-CB 3.38Å; L217-S220 PolarHBondContact O-N 3.16Å; L217-S220 VanDerWaalsContact O-N 3.1Å; L217-S220 PolarHBondContact O-OG 3.24Å
221	C	84.6	Confident	87.7	Confident	57 Å²	57	62.8 Å²	62.8	39%	0.385	36%	0.355	S	S	.	.			trans	-98.8	32	-178.9	-67.9	0	0	0	0	113.5	V155 C214 L223	V155-C221 WeakPolarHBondContact CG1-O 3.41Å; C214-C221 HydrophobicContact CB-CB 3.83Å; C214-C221 WeakPolarHBondContact CB-SG 3.25Å; C214-C221 WeakPolarHBondContact SG-CB 3.24Å; C214-C221 CovalentContact SG-SG 2.03Å; C214-C221 PolarHBondContact SG-SG 2.73Å; C221-L223 VanDerWaalsContact C-N 3.26Å; C221-L223 PolarHBondContact O-N 3.23Å
222	T	81.1	Confident	88.1	Confident	102 Å²	102	65.5 Å²	65.5	63%	0.626	37%	0.368	S	S	*	.	S	Bend	trans	-62.4	-34.7	177.1	51.5	0	0	0	0	112.3
223	L	82.4	Confident	88.5	Confident	69 Å²	69	63.5 Å²	63.5	36%	0.361	35%	0.352	S	S	.	.	S	Bend	trans	-124.4	136.8	166	-178.6	68.4	0	0	0	108.3	H215 C221	H215-L223 PolarHBondContact N-O 3.41Å; C221-L223 VanDerWaalsContact C-N 3.26Å; C221-L223 PolarHBondContact O-N 3.23Å
224	R	86.1	Confident	89	Confident	84 Å²	84	62.2 Å²	62.2	32%	0.317	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145	170.1	76.5	179.1	87.1	179.9	5.1	111.6	V155 W157 E158 C212 K213	V155-R224 HydrophobicContact CG1-CG 4.49Å; W157-R224 VanDerWaalsContact CA-O 3.25Å; W157-R224 WeakPolarHBondContact CA-O 3.31Å; W157-R224 HydrophobicContact CB-CG 3.41Å; W157-R224 VanDerWaalsContact CB-CG 3.41Å; W157-R224 WeakPolarHBondContact CB-O 3.45Å; W157-R224 HydrophobicContact CG-CG 4.48Å; E158-R224 PolarHBondContact N-O 3.08Å; C212-R224 HydrophobicContact CB-CG 4.42Å; K213-R224 CarbonylContact O-C 3.56Å; K213-R224 WeakPolarHBondContact O-CA 3.45Å; K213-R224 WeakPolarHBondContact O-CB 3.48Å
225	T	85.3	Confident	89.4	Confident	30 Å²	30	63.5 Å²	63.5	18%	0.184	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.2	174.9	-57.5	0	0	0	0	108.5	E158 G160 C212 K213	E158-T225 WeakPolarHBondContact O-CA 3Å; G160-T225 VanDerWaalsContact CA-CG2 3.43Å; C212-T225 CarbonylContact C-O 3.5Å; C212-T225 VanDerWaalsContact CA-O 3.29Å; C212-T225 WeakPolarHBondContact CA-O 3.43Å; K213-T225 PolarHBondContact N-O 2.92Å; K213-T225 PolarHBondContact O-N 3.33Å
226	C	89.6	Confident	90.1	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.9	-178.7	-48.3	0	0	0	0	112.7	W157 E158 W159 G160 T210 E211 C212	W157-C226 HydrophobicContact CE3-CB 3.79Å; W157-C226 VanDerWaalsContact CE3-SG 3.54Å; W157-C226 HydrophobicContact CH2-CB 4.37Å; W157-C226 HydrophobicContact CZ3-CB 3.59Å; E158-C226 PolarHBondContact O-N 3.3Å; W159-C226 WeakPolarHBondContact CA-O 3.47Å; G160-C226 PolarHBondContact N-O 3.33Å; G160-C226 VanDerWaalsContact O-O 3.08Å; T210-C226 HydrophobicContact CG2-CB 3.71Å; E211-C226 CarbonylContact O-C 3.51Å; E211-C226 WeakPolarHBondContact O-CA 3.25Å; E211-C226 VanDerWaalsContact O-CB 3.28Å; E211-C226 WeakPolarHBondContact O-CB 3.44Å; C212-C226 HydrophobicContact CB-CB 4.01Å; C212-C226 WeakPolarHBondContact CB-SG 3.42Å; C212-C226 WeakPolarHBondContact SG-CB 3.42Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 2.9Å
227	W	89.9	Confident	90.8	Very high	50 Å²	50	58 Å²	58	19%	0.189	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	163.2	173.9	51.9	93.3	0	0	0	111.1	G160 T210 E211 K213	G160-W227 WeakPolarHBondContact O-CB 3.39Å; T210-W227 WeakPolarHBondContact CA-O 3.08Å; E211-W227 PolarHBondContact N-O 2.72Å; E211-W227 PolarHBondContact O-N 3.05Å; K213-W227 HydrophobicContact CB-CH2 3.76Å; K213-W227 HydrophobicContact CB-CZ3 4.03Å
228	K	91.8	Very high	91.3	Very high	61 Å²	61	54.1 Å²	54.1	27%	0.265	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.2	170.3	-75.4	-60.4	-163.3	-180	0	110.4	W159 G163 D164 M208 R209 T210	W159-K228 HydrophobicContact CH2-CD 4.41Å; W159-K228 HydrophobicContact CH2-CG 4.18Å; W159-K228 HydrophobicContact CZ3-CG 4.24Å; G163-K228 CarbonylContact C-O 3.57Å; G163-K228 VanDerWaalsContact CA-O 3.29Å; G163-K228 WeakPolarHBondContact CA-O 3.44Å; D164-K228 PolarHBondContact N-O 2.87Å; M208-K228 HydrophobicContact CE-CB 3.94Å; M208-K228 PolarHBondContact O-NZ 2.88Å; R209-K228 CarbonylContact O-C 3.56Å; R209-K228 WeakPolarHBondContact O-CA 3.39Å; T210-K228 PolarHBondContact OG1-NZ 2.96Å
229	K	94.6	Very high	91.9	Very high	60 Å²	60	52 Å²	52	26%	0.261	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.3	177.4	-156.5	77	-166.2	157.7	0	110.3	D164 R209 E211	D164-K229 IonicContact OD1-NZ 3.39Å; D164-K229 PolarHBondContact OD1-NZ 3.2Å; D164-K229 WeakPolarHBondContact OD2-CA 3.42Å; D164-K229 WeakPolarHBondContact OD2-CD 3.5Å; D164-K229 WeakPolarHBondContact OD2-CE 3.38Å; D164-K229 WeakPolarHBondContact OD2-CG 3.46Å; D164-K229 IonicContact OD2-NZ 2.85Å; D164-K229 PolarHBondContact OD2-NZ 3.32Å; R209-K229 HydrophobicContact CG-CB 4.46Å; R209-K229 PolarHBondContact N-O 2.51Å; R209-K229 PolarHBondContact O-N 3.31Å; E211-K229 HydrophobicContact CG-CB 3.94Å
230	M	96.6	Very high	92.8	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.049	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.8	148.9	170.7	-67.6	-176.1	-70.1	0	0	111	H118 T121 Q122 D164 V204 M208	H118-M230 HydrophobicContact CB-SD 4.41Å; H118-M230 VanDerWaalsContact O-CE 3.3Å; H118-M230 WeakPolarHBondContact O-CE 3.43Å; T121-M230 WeakPolarHBondContact CB-SD 3.06Å; T121-M230 HydrophobicContact CG2-CE 3.63Å; T121-M230 HydrophobicContact CG2-CG 4.17Å; T121-M230 HydrophobicContact CG2-SD 3.52Å; T121-M230 VanDerWaalsContact CG2-SD 3.52Å; Q122-M230 HydrophobicContact CB-CE 3.89Å; D164-M230 HydrophobicContact CB-CG 4.07Å; D164-M230 PolarHBondContact OD2-N 3.45Å; V204-M230 HydrophobicContact CG1-CB 4.49Å; V204-M230 HydrophobicContact CG1-CG 4.09Å; V204-M230 HydrophobicContact CG1-SD 3.9Å; M208-M230 HydrophobicContact CE-CG 4.25Å; M208-M230 VanDerWaalsContact SD-CA 3.52Å; M208-M230 HydrophobicContact SD-CB 4.07Å; M208-M230 HydrophobicContact SD-CG 3.49Å; M208-M230 WeakPolarHBondContact SD-CG 3.13Å
231	P	97.4	Very high	93.5	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-62.7	161.4	171.3	29.4	-36.1	0	0	0	111	H118 H207 F233 V236	H118-P231 PolarHBondContact NE2-O 3.39Å; H207-P231 HydrophobicContact CB-CG 4.19Å; P231-F233 PolarHBondContact O-N 3.2Å; P231-V236 HydrophobicContact CB-CG2 4.42Å; P231-V236 HydrophobicContact CG-CG2 3.67Å
232	H	97.8	Very high	94.1	Very high	114 Å²	114	51.4 Å²	51.4	53%	0.528	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-61.4	139.1	169.4	-68.4	-66.6	0	0	0	109.5	R209 R234 E235 V236	R209-H232 PolarHBondContact NH1-CD2 2.94Å; R209-H232 PolarHBondContact NH2-NE2 3.12Å; H232-R234 PolarHBondContact O-N 3.39Å; H232-R234 VanDerWaalsContact O-N 3.1Å; H232-E235 HydrophobicContact CB-CG 4.33Å; H232-E235 IonicContact CD2-OE1 3.31Å; H232-E235 PolarHBondContact CD2-OE1 3.3Å; H232-E235 IonicContact CG-OE1 3.3Å; H232-E235 WeakPolarHBondContact O-CB 3.24Å; H232-E235 PolarHBondContact O-N 3.48Å; H232-V236 PolarHBondContact O-N 3.2Å
233	F	98.6	Very high	94.9	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-24.3	-175	-162.9	-108	0	0	0	113.3	L71 E75 I111 A114 G115 H118 P231 V236 G237	L71-F233 HydrophobicContact CD1-CD1 3.72Å; L71-F233 HydrophobicContact CD1-CE1 4.16Å; L71-F233 HydrophobicContact CD1-CG 4.26Å; L71-F233 HydrophobicContact CD2-CD1 4.02Å; L71-F233 HydrophobicContact CD2-CD2 4.1Å; L71-F233 HydrophobicContact CD2-CE1 4.24Å; L71-F233 HydrophobicContact CD2-CE2 4.35Å; L71-F233 HydrophobicContact CD2-CG 3.93Å; L71-F233 HydrophobicContact CD2-CZ 4.41Å; L71-F233 HydrophobicContact CG-CD1 3.59Å; L71-F233 HydrophobicContact CG-CE1 3.63Å; L71-F233 HydrophobicContact CG-CG 4.05Å; L71-F233 HydrophobicContact CG-CZ 4.15Å; E75-F233 HydrophobicContact CB-CD1 3.83Å; E75-F233 HydrophobicContact CB-CE1 3.5Å; E75-F233 VanDerWaalsContact CB-CE1 3.5Å; E75-F233 HydrophobicContact CG-CD1 3.97Å; E75-F233 HydrophobicContact CG-CE1 3.89Å; I111-F233 HydrophobicContact CD1-CE1 3.97Å; I111-F233 HydrophobicContact CD1-CZ 3.74Å; I111-F233 HydrophobicContact CG1-CE1 4.32Å; I111-F233 HydrophobicContact CG1-CZ 4.17Å; A114-F233 HydrophobicContact CB-CE2 4.15Å; A114-F233 HydrophobicContact CB-CZ 4.46Å; G115-F233 VanDerWaalsContact CA-CE2 3.48Å; G115-F233 VanDerWaalsContact CA-CZ 3.44Å; H118-F233 HydrophobicContact CB-CD2 3.86Å; H118-F233 HydrophobicContact CB-CE2 4.02Å; H118-F233 AromaticContact CD2-CD2 3.94Å; H118-F233 AromaticContact CG-CD2 3.71Å; P231-F233 PolarHBondContact O-N 3.2Å; F233-V236 HydrophobicContact CD2-CB 4.3Å; F233-V236 HydrophobicContact CD2-CG2 4.47Å; F233-V236 HydrophobicContact CE2-CG1 4.33Å; F233-V236 WeakPolarHBondContact O-CB 3.48Å; F233-V236 PolarHBondContact O-N 2.94Å; F233-G237 PolarHBondContact O-N 3.36Å
234	R	98.5	Very high	95.7	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-47	170	179.3	53.6	50	71.1	0	112.2	E75 Y78 H232 V236 G237 D238	E75-R234 VanDerWaalsContact OE1-CD 3.25Å; E75-R234 WeakPolarHBondContact OE1-CD 3.35Å; E75-R234 IonicContact OE1-CZ 3.94Å; E75-R234 IonicContact OE1-NE 3.31Å; E75-R234 PolarHBondContact OE1-NE 3.35Å; E75-R234 IonicContact OE2-CZ 3.58Å; E75-R234 IonicContact OE2-NE 3.3Å; E75-R234 PolarHBondContact OE2-NE 3.22Å; E75-R234 VanDerWaalsContact OE2-NE 3.1Å; E75-R234 IonicContact OE2-NH2 2.93Å; E75-R234 PolarHBondContact OE2-NH2 3.31Å; Y78-R234 VanDerWaalsContact CD1-CZ 3.42Å; Y78-R234 VanDerWaalsContact CD1-NE 3.29Å; Y78-R234 VanDerWaalsContact CE1-CD 3.49Å; Y78-R234 PolarHBondContact OH-NH1 3.4Å; H232-R234 PolarHBondContact O-N 3.39Å; H232-R234 VanDerWaalsContact O-N 3.1Å; R234-V236 PolarHBondContact O-N 2.94Å; R234-G237 WeakPolarHBondContact O-CA 3.41Å; R234-G237 PolarHBondContact O-N 3.45Å; R234-D238 VanDerWaalsContact O-CG 3.23Å; R234-D238 PolarHBondContact O-N 3Å
235	E	98.4	Very high	96.1	Very high	64 Å²	64	47.8 Å²	47.8	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-34.3	178.4	-60.7	173.7	-126.1	0	0	111.3	R209 H232 D238 R239	R209-E235 IonicContact NH1-OE1 2.61Å; R209-E235 PolarHBondContact NH1-OE1 3.06Å; H232-E235 HydrophobicContact CB-CG 4.33Å; H232-E235 IonicContact CD2-OE1 3.31Å; H232-E235 PolarHBondContact CD2-OE1 3.3Å; H232-E235 IonicContact CG-OE1 3.3Å; H232-E235 WeakPolarHBondContact O-CB 3.24Å; H232-E235 PolarHBondContact O-N 3.48Å; E235-D238 PolarHBondContact O-N 3.43Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.3Å; E235-R239 PolarHBondContact O-N 3.07Å
236	V	98.7	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-44.1	173.4	-179.1	0	0	0	0	110.6	A114 A203 V204 P231 H232 F233 R234 R239 L240	A114-V236 HydrophobicContact CB-CG1 3.88Å; A203-V236 HydrophobicContact CB-CG1 4.05Å; V204-V236 HydrophobicContact CG2-CG1 4.04Å; V204-V236 HydrophobicContact CG2-CG2 4.23Å; P231-V236 HydrophobicContact CB-CG2 4.42Å; P231-V236 HydrophobicContact CG-CG2 3.67Å; H232-V236 PolarHBondContact O-N 3.2Å; F233-V236 HydrophobicContact CD2-CB 4.3Å; F233-V236 HydrophobicContact CD2-CG2 4.47Å; F233-V236 HydrophobicContact CE2-CG1 4.33Å; F233-V236 WeakPolarHBondContact O-CB 3.48Å; F233-V236 PolarHBondContact O-N 2.94Å; R234-V236 PolarHBondContact O-N 2.94Å; V236-R239 PolarHBondContact O-N 3.1Å; V236-L240 HydrophobicContact CG1-CD1 4.16Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 2.91Å
237	G	98.6	Very high	96.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-46.2	173.9	0	0	0	0	0	112.9	F233 R234 R239 L240 L241	F233-G237 PolarHBondContact O-N 3.36Å; R234-G237 WeakPolarHBondContact O-CA 3.41Å; R234-G237 PolarHBondContact O-N 3.45Å; G237-R239 PolarHBondContact O-N 2.82Å; G237-L240 PolarHBondContact O-N 3.33Å; G237-L241 WeakPolarHBondContact O-CB 3.47Å; G237-L241 PolarHBondContact O-N 2.67Å
238	D	98.6	Very high	97.1	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	24%	0.237	S	C	.	.	H	α-helix	trans	-62.1	-44.8	179.9	-62	-30.3	0	0	0	111.1	Q79 R234 E235 L241 E242	Q79-D238 PolarHBondContact NE2-OD1 3.33Å; R234-D238 VanDerWaalsContact O-CG 3.23Å; R234-D238 PolarHBondContact O-N 3Å; E235-D238 PolarHBondContact O-N 3.43Å; D238-L241 WeakPolarHBondContact O-CB 3.39Å; D238-L241 PolarHBondContact O-N 3.26Å; D238-E242 PolarHBondContact O-N 2.85Å
239	R	98.3	Very high	97.3	Very high	96 Å²	96	48.1 Å²	48.1	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-43.8	176.8	-71.7	175.8	-170.6	-66.3	-4.7	112.7	E235 V236 G237 L241 E242 R243	E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.3Å; E235-R239 PolarHBondContact O-N 3.07Å; V236-R239 PolarHBondContact O-N 3.1Å; G237-R239 PolarHBondContact O-N 2.82Å; R239-L241 PolarHBondContact O-N 3.43Å; R239-E242 WeakPolarHBondContact O-CB 3.14Å; R239-E242 PolarHBondContact O-N 2.93Å; R239-R243 WeakPolarHBondContact O-CG 3.41Å; R239-R243 PolarHBondContact O-N 3.42Å; R239-R243 VanDerWaalsContact O-N 3.09Å
240	L	98.7	Very high	97.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-29.1	176.9	-72.5	175.9	0	0	0	111.6	F107 A110 I111 A114 A203 V236 G237 R243 F244	F107-L240 HydrophobicContact CD2-CB 4.1Å; F107-L240 HydrophobicContact CE2-CB 3.63Å; F107-L240 HydrophobicContact CZ-CB 4.46Å; A110-L240 HydrophobicContact CB-CD1 4.21Å; A110-L240 HydrophobicContact CB-CD2 4.06Å; I111-L240 HydrophobicContact CB-CD1 4.16Å; I111-L240 HydrophobicContact CD1-CD1 3.74Å; A114-L240 HydrophobicContact CB-CD1 4.14Å; A203-L240 HydrophobicContact CB-CD1 4.39Å; A203-L240 HydrophobicContact CB-CD2 3.88Å; A203-L240 HydrophobicContact CB-CG 4.01Å; V236-L240 HydrophobicContact CG1-CD1 4.16Å; V236-L240 WeakPolarHBondContact O-CG 3.26Å; V236-L240 PolarHBondContact O-N 2.91Å; G237-L240 PolarHBondContact O-N 3.33Å; L240-R243 PolarHBondContact O-N 3.41Å; L240-F244 WeakPolarHBondContact O-CB 3.37Å; L240-F244 PolarHBondContact O-N 3.19Å
241	L	98.2	Very high	97.1	Very high	28 Å²	28	50 Å²	50	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-70.6	-36.8	175.8	-176.4	65.2	0	0	0	110.9	Q79 F80 F107 G237 D238 R239 F244 N245	Q79-L241 HydrophobicContact CB-CD2 4.36Å; F80-L241 HydrophobicContact CE2-CD1 3.97Å; F80-L241 HydrophobicContact CZ-CD1 4.17Å; F107-L241 HydrophobicContact CE2-CB 4.18Å; G237-L241 WeakPolarHBondContact O-CB 3.47Å; G237-L241 PolarHBondContact O-N 2.67Å; D238-L241 WeakPolarHBondContact O-CB 3.39Å; D238-L241 PolarHBondContact O-N 3.26Å; R239-L241 PolarHBondContact O-N 3.43Å; L241-F244 HydrophobicContact CD1-CB 4.48Å; L241-F244 HydrophobicContact CD1-CD1 3.93Å; L241-F244 HydrophobicContact CD1-CG 4.44Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.11Å; L241-N245 PolarHBondContact O-N 2.93Å; L241-N245 PolarHBondContact O-ND2 3.21Å
242	E	97.4	Very high	96.6	Very high	117 Å²	117	50.6 Å²	50.6	55%	0.547	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-47.9	170.6	-170.2	-172.5	167.3	0	0	111	D238 R239 F244 N245 G246	D238-E242 PolarHBondContact O-N 2.85Å; R239-E242 WeakPolarHBondContact O-CB 3.14Å; R239-E242 PolarHBondContact O-N 2.93Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 3.23Å; E242-N245 PolarHBondContact O-N 2.8Å; E242-N245 VanDerWaalsContact O-N 3.16Å; E242-G246 PolarHBondContact O-N 2.93Å
243	R	97.9	Very high	96.1	Very high	88 Å²	88	45.7 Å²	45.7	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-32.2	174.9	-62	-65	179.2	-121.1	-1.7	112.8	R239 L240 G246 A247 Q272 L274	R239-R243 WeakPolarHBondContact O-CG 3.41Å; R239-R243 PolarHBondContact O-N 3.42Å; R239-R243 VanDerWaalsContact O-N 3.09Å; L240-R243 PolarHBondContact O-N 3.41Å; R243-G246 CarbonylContact O-C 3.46Å; R243-G246 PolarHBondContact O-N 2.65Å; R243-A247 WeakPolarHBondContact O-CA 3.46Å; R243-A247 PolarHBondContact O-N 3.38Å; R243-Q272 WeakPolarHBondContact CD-O 3.5Å; R243-Q272 WeakPolarHBondContact CG-O 3.24Å; R243-L274 HydrophobicContact CB-CD1 4.27Å; R243-L274 HydrophobicContact CB-CG 3.97Å
244	F	97.9	Very high	95.3	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-43.3	172.7	166.3	-88.4	0	0	0	111.7	F80 R103 E104 F107 L240 L241 E242 G246 A247 L274	F80-F244 AromaticContact CE1-CE1 3.93Å; F80-F244 HydrophobicContact CE1-CE1 3.93Å; F80-F244 AromaticContact CE1-CE2 3.9Å; F80-F244 HydrophobicContact CE1-CE2 3.9Å; F80-F244 AromaticContact CE1-CZ 3.58Å; F80-F244 HydrophobicContact CE1-CZ 3.58Å; F80-F244 HydrophobicContact CZ-CD1 4.04Å; F80-F244 AromaticContact CZ-CD2 3.85Å; F80-F244 HydrophobicContact CZ-CD2 3.85Å; F80-F244 AromaticContact CZ-CE1 3.89Å; F80-F244 HydrophobicContact CZ-CE1 3.89Å; F80-F244 AromaticContact CZ-CE2 3.66Å; F80-F244 HydrophobicContact CZ-CE2 3.66Å; F80-F244 HydrophobicContact CZ-CG 4.03Å; F80-F244 AromaticContact CZ-CZ 3.7Å; F80-F244 HydrophobicContact CZ-CZ 3.7Å; R103-F244 VanDerWaalsContact C-CE2 3.49Å; R103-F244 HydrophobicContact CB-CD2 4.37Å; R103-F244 HydrophobicContact CB-CE2 3.78Å; R103-F244 HydrophobicContact CB-CZ 4.41Å; R103-F244 VanDerWaalsContact CD-O 3.31Å; R103-F244 WeakPolarHBondContact CD-O 3.43Å; R103-F244 HydrophobicContact CG-CD2 3.62Å; R103-F244 HydrophobicContact CG-CE2 3.43Å; R103-F244 VanDerWaalsContact CG-CE2 3.43Å; R103-F244 HydrophobicContact CG-CG 4.42Å; R103-F244 HydrophobicContact CG-CZ 4.07Å; R103-F244 WeakPolarHBondContact O-CD2 3.39Å; R103-F244 WeakPolarHBondContact O-CE2 3.4Å; E104-F244 HydrophobicContact CG-CE2 4.38Å; F107-F244 HydrophobicContact CB-CB 4.36Å; F107-F244 HydrophobicContact CB-CD2 3.77Å; F107-F244 HydrophobicContact CB-CG 4.39Å; F107-F244 HydrophobicContact CD2-CB 3.89Å; F107-F244 HydrophobicContact CD2-CG 4.48Å; F107-F244 HydrophobicContact CG-CD2 4.5Å; L240-F244 WeakPolarHBondContact O-CB 3.37Å; L240-F244 PolarHBondContact O-N 3.19Å; L241-F244 HydrophobicContact CD1-CB 4.48Å; L241-F244 HydrophobicContact CD1-CD1 3.93Å; L241-F244 HydrophobicContact CD1-CG 4.44Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.11Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 3.23Å; F244-G246 VanDerWaalsContact C-N 3.27Å; F244-G246 PolarHBondContact O-N 2.98Å; F244-A247 WeakPolarHBondContact O-CB 3.36Å; F244-A247 PolarHBondContact O-N 3.15Å; F244-L274 HydrophobicContact CB-CD1 4.1Å
245	N	95.7	Very high	94.5	Very high	86 Å²	86	53.1 Å²	53.1	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-37.2	179.1	-67.3	-37.5	0	0	0	112	R83 L241 E242	R83-N245 PolarHBondContact NH2-OD1 3.12Å; L241-N245 PolarHBondContact O-N 2.93Å; L241-N245 PolarHBondContact O-ND2 3.21Å; E242-N245 PolarHBondContact O-N 2.8Å; E242-N245 VanDerWaalsContact O-N 3.16Å
246	G	94.3	Very high	93.4	Very high	55 Å²	55	51.8 Å²	51.8	57%	0.567	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	17.3	176.6	0	0	0	0	0	115.5	E242 R243 F244	E242-G246 PolarHBondContact O-N 2.93Å; R243-G246 CarbonylContact O-C 3.46Å; R243-G246 PolarHBondContact O-N 2.65Å; F244-G246 VanDerWaalsContact C-N 3.27Å; F244-G246 PolarHBondContact O-N 2.98Å
247	A	96.3	Very high	92.5	Very high	12 Å²	12	59.4 Å²	59.4	10%	0.099	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.8	141.9	-174.5	0	0	0	0	0	112.1	R103 R243 F244 L274 Y276	R103-A247 HydrophobicContact CG-CB 3.8Å; R243-A247 WeakPolarHBondContact O-CA 3.46Å; R243-A247 PolarHBondContact O-N 3.38Å; F244-A247 WeakPolarHBondContact O-CB 3.36Å; F244-A247 PolarHBondContact O-N 3.15Å; A247-L274 CarbonylContact C-O 3.59Å; A247-L274 WeakPolarHBondContact CA-O 3.42Å; A247-L274 HydrophobicContact CB-CB 4.01Å; A247-L274 WeakPolarHBondContact CB-O 3.18Å; A247-Y276 HydrophobicContact CB-CD1 4.05Å; A247-Y276 HydrophobicContact CB-CE1 4.12Å; A247-Y276 WeakPolarHBondContact O-CE1 3.28Å
248	S	95.3	Very high	91.8	Very high	24 Å²	24	62.4 Å²	62.4	17%	0.168	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.1	-176.2	-68.5	0	0	0	0	112.2	L274 I275 Y276	S248-L274 PolarHBondContact N-O 3.3Å; S248-I275 VanDerWaalsContact O-CA 3.26Å; S248-I275 WeakPolarHBondContact O-CA 3.43Å; S248-Y276 WeakPolarHBondContact O-CD1 3.39Å; S248-Y276 PolarHBondContact O-N 2.87Å; S248-Y276 VanDerWaalsContact O-N 3.15Å
249	K	95.4	Very high	91.4	Very high	57 Å²	57	61 Å²	61	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.6	170.9	-167.9	176.3	-173.7	175.4	0	109.7	P261 V262 Y276 S277 E279	K249-P261 WeakPolarHBondContact O-CA 3.46Å; K249-V262 HydrophobicContact CB-CB 4.26Å; K249-V262 HydrophobicContact CD-CB 4.42Å; K249-V262 HydrophobicContact CD-CG1 4.49Å; K249-V262 HydrophobicContact CG-CB 4.23Å; K249-V262 HydrophobicContact CG-CG2 4.22Å; K249-V262 PolarHBondContact O-N 3.27Å; K249-Y276 CarbonylContact C-O 3.56Å; K249-Y276 VanDerWaalsContact CA-O 3.28Å; K249-Y276 WeakPolarHBondContact CA-O 3.4Å; K249-Y276 HydrophobicContact CB-CD2 4.46Å; K249-Y276 HydrophobicContact CB-CE1 4.16Å; K249-Y276 HydrophobicContact CB-CE2 3.89Å; K249-Y276 HydrophobicContact CD-CE2 4.16Å; K249-Y276 HydrophobicContact CG-CD2 4.24Å; K249-Y276 HydrophobicContact CG-CE2 3.87Å; K249-S277 WeakPolarHBondContact CE-O 3.36Å; K249-E279 WeakPolarHBondContact CD-OE1 3.18Å; K249-E279 WeakPolarHBondContact CE-OE1 3.44Å; K249-E279 IonicContact NZ-OE1 2.7Å; K249-E279 PolarHBondContact NZ-OE1 3.46Å
250	V	94.6	Very high	91	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.1	-178.6	-59.4	0	0	0	0	111.7	I192 L259 I260 I275 Y276 S277	I192-V250 HydrophobicContact CD1-CG2 3.93Å; I192-V250 HydrophobicContact CG1-CG2 3.98Å; V250-L259 HydrophobicContact CB-CB 4.32Å; V250-L259 HydrophobicContact CG2-CB 4.4Å; V250-L259 HydrophobicContact CG2-CD1 4.49Å; V250-L259 HydrophobicContact CG2-CD2 4.36Å; V250-I260 CarbonylContact C-O 3.5Å; V250-I260 VanDerWaalsContact CA-O 3.23Å; V250-I260 WeakPolarHBondContact CA-O 3.38Å; V250-I275 HydrophobicContact CG1-CB 4Å; V250-I275 HydrophobicContact CG1-CG2 4.05Å; V250-I275 HydrophobicContact CG2-CB 4.17Å; V250-I275 HydrophobicContact CG2-CD1 4.23Å; V250-I275 HydrophobicContact CG2-CG1 4.41Å; V250-Y276 WeakPolarHBondContact CG2-O 3.39Å; V250-Y276 PolarHBondContact N-O 2.87Å; V250-S277 WeakPolarHBondContact O-CA 3.35Å; V250-S277 WeakPolarHBondContact O-CB 3.38Å
251	M	91.7	Very high	90.7	Very high	107 Å²	107	61.5 Å²	61.5	53%	0.527	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156	170.2	63	-175.1	-65.8	0	0	110.4	L259 I260 V262	M251-L259 WeakPolarHBondContact O-CA 3.31Å; M251-I260 HydrophobicContact CG-CB 4.15Å; M251-I260 PolarHBondContact N-O 2.93Å; M251-I260 PolarHBondContact O-N 2.99Å; M251-V262 HydrophobicContact CB-CG2 4Å; M251-V262 HydrophobicContact CG-CG2 4.01Å; M251-V262 HydrophobicContact SD-CG2 4.27Å
252	G	88.4	Confident	90.2	Very high	17 Å²	17	63 Å²	63	18%	0.175	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.4	174.7	0	0	0	0	0	111.6
253	G	85.9	Confident	89.5	Confident	10 Å²	10	59.8 Å²	59.8	10%	0.103	35%	0.348	C	S	.	.			trans	-72	164.1	168.5	0	0	0	0	0	112.4	D255 G256 T258	G253-D255 PolarHBondContact O-N 3.46Å; G253-D255 VanDerWaalsContact O-N 3.09Å; G253-G256 PolarHBondContact O-N 3.4Å; G253-T258 PolarHBondContact N-O 2.82Å
254	N	82.2	Confident	88.3	Confident	183 Å²	183	64.4 Å²	64.4	98%	0.979	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	-178	-66.3	-18.1	0	0	0	113.6	G256	N254-G256 VanDerWaalsContact C-N 3.31Å
255	D	81.6	Confident	87.4	Confident	85 Å²	85	72.3 Å²	72.3	46%	0.455	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.5	178.3	72.3	-17.3	0	0	0	113.8	G253 K257 T258	G253-D255 PolarHBondContact O-N 3.46Å; G253-D255 VanDerWaalsContact O-N 3.09Å; D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 PolarHBondContact OD1-N 3.05Å; D255-T258 PolarHBondContact OD1-N 2.92Å; D255-T258 PolarHBondContact OD1-OG1 2.8Å; D255-T258 WeakPolarHBondContact OD2-CG2 3.49Å; D255-T258 PolarHBondContact OD2-OG1 3.48Å
256	G	76.1	Confident	86.7	Confident	36 Å²	36	71.7 Å²	71.7	37%	0.371	41%	0.412	S	S	.	.	S	Bend	trans	64.6	14.2	-176.8	0	0	0	0	0	114.3	G253 N254	G253-G256 PolarHBondContact O-N 3.4Å; N254-G256 VanDerWaalsContact C-N 3.31Å
257	K	79.2	Confident	86.2	Confident	160 Å²	160	77.5 Å²	77.5	70%	0.696	42%	0.422	S	S	*	.	S	Bend	trans	-128.7	-23.9	-176.3	-66.6	175.7	-175.1	170.8	0	113	L191 D255	L191-K257 WeakPolarHBondContact CD1-O 3.46Å; D255-K257 PolarHBondContact O-N 3.23Å; D255-K257 PolarHBondContact OD1-N 3.05Å
258	T	85.1	Confident	85.7	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	45%	0.446	S	S	.	.			trans	-97	149.1	179.1	54.2	0	0	0	0	111.6	G253 D255	G253-T258 PolarHBondContact N-O 2.82Å; D255-T258 PolarHBondContact OD1-N 2.92Å; D255-T258 PolarHBondContact OD1-OG1 2.8Å; D255-T258 WeakPolarHBondContact OD2-CG2 3.49Å; D255-T258 PolarHBondContact OD2-OG1 3.48Å
259	L	89.2	Confident	85.5	Confident	46 Å²	46	81.7 Å²	81.7	24%	0.241	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.5	171.4	-62.1	176.2	0	0	0	107.5	I188 L191 I192 V250 M251 I275	I188-L259 HydrophobicContact CG2-CD2 3.9Å; L191-L259 HydrophobicContact CB-CD1 3.98Å; L191-L259 HydrophobicContact CB-CD2 4.22Å; L191-L259 HydrophobicContact CB-CG 4.25Å; L191-L259 HydrophobicContact CD1-CD2 4.41Å; I192-L259 HydrophobicContact CG1-CD1 4.05Å; I192-L259 HydrophobicContact CG1-CD2 4.25Å; V250-L259 HydrophobicContact CB-CB 4.32Å; V250-L259 HydrophobicContact CG2-CB 4.4Å; V250-L259 HydrophobicContact CG2-CD1 4.49Å; V250-L259 HydrophobicContact CG2-CD2 4.36Å; M251-L259 WeakPolarHBondContact O-CA 3.31Å; L259-I275 HydrophobicContact CD1-CD1 3.39Å
260	I	90.1	Very high	85.5	Confident	81 Å²	81	82.9 Å²	82.9	42%	0.415	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.6	-175.9	-56.4	175.5	0	0	0	107.8	V250 M251	V250-I260 CarbonylContact C-O 3.5Å; V250-I260 VanDerWaalsContact CA-O 3.23Å; V250-I260 WeakPolarHBondContact CA-O 3.38Å; M251-I260 HydrophobicContact CG-CB 4.15Å; M251-I260 PolarHBondContact N-O 2.93Å; M251-I260 PolarHBondContact O-N 2.99Å
261	P	92.2	Very high	85.5	Confident	26 Å²	26	89.1 Å²	89.1	17%	0.169	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.8	177	27.2	-33.7	0	0	0	111.2	K249 I266	K249-P261 WeakPolarHBondContact O-CA 3.46Å; P261-I266 HydrophobicContact CB-CB 4.31Å; P261-I266 HydrophobicContact CB-CG2 3.94Å
262	V	88.4	Confident	85.8	Confident	61 Å²	61	86.7 Å²	86.7	37%	0.37	47%	0.471	S	S	.	.	S	Bend	trans	-91.1	104.5	179.7	178.8	0	0	0	0	109.2	K249 M251 I266	K249-V262 HydrophobicContact CB-CB 4.26Å; K249-V262 HydrophobicContact CD-CB 4.42Å; K249-V262 HydrophobicContact CD-CG1 4.49Å; K249-V262 HydrophobicContact CG-CB 4.23Å; K249-V262 HydrophobicContact CG-CG2 4.22Å; K249-V262 PolarHBondContact O-N 3.27Å; M251-V262 HydrophobicContact CB-CG2 4Å; M251-V262 HydrophobicContact CG-CG2 4.01Å; M251-V262 HydrophobicContact SD-CG2 4.27Å; V262-I266 VanDerWaalsContact O-CD1 3.26Å; V262-I266 WeakPolarHBondContact O-CD1 3.35Å
263	G	81.6	Confident	86.2	Confident	49 Å²	49	87.9 Å²	87.9	51%	0.505	47%	0.473	S	S	.	.	S	Bend	trans	146.4	155.8	173.5	0	0	0	0	0	112.7
264	Q	73.2	Confident	86.8	Confident	184 Å²	184	87.4 Å²	87.4	86%	0.86	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	136.8	178.3	-65.7	-179.6	0.2	0	0	110.1	I266	Q264-I266 PolarHBondContact O-N 2.87Å
265	N	78.4	Confident	87.5	Confident	172 Å²	172	78.8 Å²	78.8	92%	0.92	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	22.2	177.8	-55.4	-33.7	0	0	0	115.8
266	I	80.7	Confident	88.2	Confident	74 Å²	74	75.4 Å²	75.4	38%	0.379	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-81.2	124	174.3	-59.7	-175.5	0	0	0	109.4	P261 V262 Q264	P261-I266 HydrophobicContact CB-CB 4.31Å; P261-I266 HydrophobicContact CB-CG2 3.94Å; V262-I266 VanDerWaalsContact O-CD1 3.26Å; V262-I266 WeakPolarHBondContact O-CD1 3.35Å; Q264-I266 PolarHBondContact O-N 2.87Å
267	K	84.3	Confident	89.1	Confident	177 Å²	177	74.9 Å²	74.9	77%	0.77	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-61.2	136.7	172.8	-174	-176.4	175	-173.9	0	109.5
268	P	86.8	Confident	89.9	Confident	93 Å²	93	71 Å²	71	60%	0.604	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-53.7	136.3	172.7	-26	34.5	0	0	0	111.6
269	P	91.3	Very high	90.4	Very high	31 Å²	31	73.4 Å²	73.4	20%	0.201	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-64.2	137.7	-178.4	24.7	-32.4	0	0	0	111.1	D273 I275	P269-D273 HydrophobicContact CB-CB 3.95Å; P269-I275 HydrophobicContact CB-CG2 3.75Å; P269-I275 HydrophobicContact CG-CG2 3.72Å
270	D	93.8	Very high	90.7	Very high	81 Å²	81	73.2 Å²	73.2	43%	0.433	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-75.5	167	171.6	-173.2	26.2	0	0	0	110.6	H195 Q272 D273	H195-D270 PolarHBondContact CE1-O 3.05Å; H195-D270 PolarHBondContact NE2-O 3.47Å; D270-Q272 PolarHBondContact O-N 3.42Å; D270-Q272 VanDerWaalsContact O-N 3.07Å; D270-Q272 PolarHBondContact OD2-NE2 3.2Å; D270-Q272 VanDerWaalsContact OD2-NE2 3.08Å; D270-D273 PolarHBondContact N-OD2 3.04Å; D270-D273 WeakPolarHBondContact O-CB 3.46Å; D270-D273 PolarHBondContact O-N 2.85Å
271	K	95.8	Very high	91	Very high	134 Å²	134	70.5 Å²	70.5	58%	0.583	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.2	177.5	-63	-179.4	-179.2	174.9	0	114.2	A199 L202	A199-K271 WeakPolarHBondContact CA-O 3.47Å; A199-K271 WeakPolarHBondContact CB-O 3.5Å; A199-K271 PolarHBondContact N-O 3.39Å; L202-K271 HydrophobicContact CD1-CB 3.69Å
272	Q	96.9	Very high	91.1	Very high	56 Å²	56	73.6 Å²	73.6	26%	0.262	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.6	178.1	-63.3	172.6	75.9	0	0	112.9	L202 I206 R243 D270	L202-Q272 HydrophobicContact CD1-CG 4.36Å; I206-Q272 HydrophobicContact CD1-CG 4.14Å; R243-Q272 WeakPolarHBondContact CD-O 3.5Å; R243-Q272 WeakPolarHBondContact CG-O 3.24Å; D270-Q272 PolarHBondContact O-N 3.42Å; D270-Q272 VanDerWaalsContact O-N 3.07Å; D270-Q272 PolarHBondContact OD2-NE2 3.2Å; D270-Q272 VanDerWaalsContact OD2-NE2 3.08Å
273	D	97.2	Very high	91.4	Very high	43 Å²	43	71.3 Å²	71.3	23%	0.23	38%	0.378	C	S	.	.	S	Bend	trans	-79.4	159.1	179.8	-64.6	-34.2	0	0	0	110.3	H195 A199 P269 D270	H195-D273 PolarHBondContact CD2-O 3.39Å; H195-D273 PolarHBondContact NE2-O 3.07Å; A199-D273 WeakPolarHBondContact CB-O 3.44Å; P269-D273 HydrophobicContact CB-CB 3.95Å; D270-D273 PolarHBondContact N-OD2 3.04Å; D270-D273 WeakPolarHBondContact O-CB 3.46Å; D270-D273 PolarHBondContact O-N 2.85Å
274	L	98.2	Very high	92.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.			trans	-101.6	141.2	172.1	-62.8	-175.2	0	0	0	109.5	A106 F107 A110 N196 A199 R243 F244 A247 S248	A106-L274 HydrophobicContact CB-CB 4.37Å; F107-L274 HydrophobicContact CB-CD1 4.25Å; F107-L274 HydrophobicContact CD2-CD1 4.39Å; A110-L274 HydrophobicContact CB-CD2 3.57Å; N196-L274 HydrophobicContact CB-CD2 4.38Å; N196-L274 WeakPolarHBondContact OD1-CA 3.49Å; A199-L274 HydrophobicContact CB-CD2 3.81Å; R243-L274 HydrophobicContact CB-CD1 4.27Å; R243-L274 HydrophobicContact CB-CG 3.97Å; F244-L274 HydrophobicContact CB-CD1 4.1Å; A247-L274 CarbonylContact C-O 3.59Å; A247-L274 WeakPolarHBondContact CA-O 3.42Å; A247-L274 HydrophobicContact CB-CB 4.01Å; A247-L274 WeakPolarHBondContact CB-O 3.18Å; S248-L274 PolarHBondContact N-O 3.3Å
275	I	97.2	Very high	93.1	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.2	-178.1	67.2	-179.8	0	0	0	112	A106 I192 H195 N196 S248 V250 L259 P269	A106-I275 VanDerWaalsContact CB-O 3.3Å; A106-I275 WeakPolarHBondContact CB-O 3.2Å; I192-I275 HydrophobicContact CG1-CD1 4.32Å; I192-I275 HydrophobicContact CG1-CG1 4.38Å; I192-I275 HydrophobicContact CG2-CG1 4.22Å; I192-I275 WeakPolarHBondContact CG2-O 3.42Å; H195-I275 HydrophobicContact CB-CD1 3.62Å; H195-I275 HydrophobicContact CB-CG1 4.17Å; H195-I275 VanDerWaalsContact CG-CD1 3.43Å; N196-I275 PolarHBondContact ND2-O 3.35Å; N196-I275 PolarHBondContact OD1-N 3.42Å; N196-I275 PolarHBondContact OD1-O 3.34Å; S248-I275 VanDerWaalsContact O-CA 3.26Å; S248-I275 WeakPolarHBondContact O-CA 3.43Å; V250-I275 HydrophobicContact CG1-CB 4Å; V250-I275 HydrophobicContact CG1-CG2 4.05Å; V250-I275 HydrophobicContact CG2-CB 4.17Å; V250-I275 HydrophobicContact CG2-CD1 4.23Å; V250-I275 HydrophobicContact CG2-CG1 4.41Å; L259-I275 HydrophobicContact CD1-CD1 3.39Å; P269-I275 HydrophobicContact CB-CG2 3.75Å; P269-I275 HydrophobicContact CG-CG2 3.72Å
276	Y	96.7	Very high	93.8	Very high	15 Å²	15	61.3 Å²	61.3	6%	0.059	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163	-179.7	68.2	-82.4	0	0	0	110.2	R103 A247 S248 K249 V250 D278	R103-Y276 HydrophobicContact CB-CD1 4.31Å; R103-Y276 HydrophobicContact CB-CG 4.38Å; R103-Y276 HydrophobicContact CG-CD1 4.17Å; R103-Y276 HydrophobicContact CG-CE1 4.29Å; R103-Y276 PolarHBondContact NH2-OH 3.44Å; R103-Y276 VanDerWaalsContact NH2-OH 3.13Å; A247-Y276 HydrophobicContact CB-CD1 4.05Å; A247-Y276 HydrophobicContact CB-CE1 4.12Å; A247-Y276 WeakPolarHBondContact O-CE1 3.28Å; S248-Y276 WeakPolarHBondContact O-CD1 3.39Å; S248-Y276 PolarHBondContact O-N 2.87Å; S248-Y276 VanDerWaalsContact O-N 3.15Å; K249-Y276 CarbonylContact C-O 3.56Å; K249-Y276 VanDerWaalsContact CA-O 3.28Å; K249-Y276 WeakPolarHBondContact CA-O 3.4Å; K249-Y276 HydrophobicContact CB-CD2 4.46Å; K249-Y276 HydrophobicContact CB-CE1 4.16Å; K249-Y276 HydrophobicContact CB-CE2 3.89Å; K249-Y276 HydrophobicContact CD-CE2 4.16Å; K249-Y276 HydrophobicContact CG-CD2 4.24Å; K249-Y276 HydrophobicContact CG-CE2 3.87Å; V250-Y276 WeakPolarHBondContact CG2-O 3.39Å; V250-Y276 PolarHBondContact N-O 2.87Å; Y276-D278 WeakPolarHBondContact CD2-O 3.29Å
277	S	95.3	Very high	94.4	Very high	24 Å²	24	60.9 Å²	60.9	17%	0.168	33%	0.328	C	S	.	.	S	Bend	trans	-116.5	-25.5	178.8	59.3	0	0	0	0	114.3	D101 K249 V250	D101-S277 WeakPolarHBondContact CB-OG 3.01Å; D101-S277 PolarHBondContact O-N 3.22Å; K249-S277 WeakPolarHBondContact CE-O 3.36Å; V250-S277 WeakPolarHBondContact O-CA 3.35Å; V250-S277 WeakPolarHBondContact O-CB 3.38Å
278	D	95.1	Very high	94.7	Very high	79 Å²	79	61.6 Å²	61.6	42%	0.422	33%	0.326	S	S	.	.	S	Bend	trans	-112.6	148.2	-174.3	-65.1	-14.2	0	0	0	111.8	D101 I102 Y276	D101-D278 PolarHBondContact O-N 3.03Å; I102-D278 HydrophobicContact CG2-CB 4.01Å; Y276-D278 WeakPolarHBondContact CD2-O 3.29Å
279	E	95.9	Very high	94.9	Very high	115 Å²	115	66 Å²	66	54%	0.537	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.7	141	174.5	-65.5	-57.6	153.2	0	0	111.7	I102 K249	I102-E279 VanDerWaalsContact CG2-O 3.29Å; I102-E279 WeakPolarHBondContact CG2-O 3.28Å; K249-E279 WeakPolarHBondContact CD-OE1 3.18Å; K249-E279 WeakPolarHBondContact CE-OE1 3.44Å; K249-E279 IonicContact NZ-OE1 2.7Å; K249-E279 PolarHBondContact NZ-OE1 3.46Å
280	S	96.3	Very high	94.8	Very high	41 Å²	41	65.9 Å²	65.9	29%	0.287	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-62.9	134.5	175.8	-59.5	0	0	0	0	110.2	E104	E104-S280 PolarHBondContact OE1-OG 3.47Å; E104-S280 WeakPolarHBondContact OE2-CB 3.5Å; E104-S280 PolarHBondContact OE2-OG 3.12Å
281	P	95.3	Very high	94.7	Very high	24 Å²	24	62.2 Å²	62.2	16%	0.156	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-68.8	166.8	177	32.3	-37.3	0	0	0	110.6	F283 T290	P281-F283 HydrophobicContact CG-CD1 4.45Å; P281-F283 HydrophobicContact CG-CE1 3.81Å; P281-F283 HydrophobicContact CG-CE2 4.22Å; P281-F283 HydrophobicContact CG-CZ 3.69Å; P281-F283 WeakPolarHBondContact O-CD2 3.42Å; P281-F283 PolarHBondContact O-N 2.9Å; P281-T290 HydrophobicContact CB-CG2 3.69Å; P281-T290 HydrophobicContact CG-CG2 4.36Å
282	D	94.3	Very high	94.5	Very high	91 Å²	91	56 Å²	56	49%	0.487	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.6	120.6	168	-179.6	24.9	0	0	0	111	C284	D282-C284 WeakPolarHBondContact OD1-CB 3.5Å; D282-C284 PolarHBondContact OD1-N 3.32Å; D282-C284 PolarHBondContact OD1-SG 3.43Å
283	F	95.9	Very high	94.3	Very high	14 Å²	14	56.9 Å²	56.9	6%	0.061	30%	0.295	C	S	.	.			trans	-95.9	0.6	177.3	-66.4	-66.5	0	0	0	113.7	R84 W85 I102 E104 P281 S292 G294	R84-F283 HydrophobicContact CB-CB 3.77Å; W85-F283 HydrophobicContact CB-CB 4.34Å; W85-F283 HydrophobicContact CB-CD1 3.85Å; W85-F283 HydrophobicContact CB-CD2 3.73Å; W85-F283 HydrophobicContact CB-CE1 3.99Å; W85-F283 HydrophobicContact CB-CE2 3.86Å; W85-F283 HydrophobicContact CB-CG 3.72Å; W85-F283 HydrophobicContact CB-CZ 3.98Å; W85-F283 AromaticContact CD1-CD1 3.85Å; W85-F283 AromaticContact CD1-CE1 3.48Å; W85-F283 VanDerWaalsContact CD1-CE1 3.48Å; W85-F283 AromaticContact CD1-CZ 3.93Å; W85-F283 HydrophobicContact CG-CD1 4.19Å; W85-F283 AromaticContact CG-CE1 3.94Å; W85-F283 HydrophobicContact CG-CE1 3.94Å; W85-F283 HydrophobicContact CG-CE2 4.34Å; W85-F283 HydrophobicContact CG-CZ 4.01Å; I102-F283 HydrophobicContact CD1-CZ 3.96Å; E104-F283 HydrophobicContact CG-CE2 4.14Å; E104-F283 HydrophobicContact CG-CZ 4.29Å; P281-F283 HydrophobicContact CG-CD1 4.45Å; P281-F283 HydrophobicContact CG-CE1 3.81Å; P281-F283 HydrophobicContact CG-CE2 4.22Å; P281-F283 HydrophobicContact CG-CZ 3.69Å; P281-F283 WeakPolarHBondContact O-CD2 3.42Å; P281-F283 PolarHBondContact O-N 2.9Å; F283-S292 WeakPolarHBondContact CA-OG 3.12Å; F283-S292 PolarHBondContact O-OG 3.17Å; F283-G294 WeakPolarHBondContact O-CA 3.38Å
284	C	95.4	Very high	94.2	Very high	10 Å²	10	55.4 Å²	55.4	7%	0.068	29%	0.29	C	S	.	.	S	Bend	trans	-66.6	-44.3	177.9	-71	0	0	0	0	112.4	D282 G294 T295 C315 R317	D282-C284 WeakPolarHBondContact OD1-CB 3.5Å; D282-C284 PolarHBondContact OD1-N 3.32Å; D282-C284 PolarHBondContact OD1-SG 3.43Å; C284-G294 CarbonylContact O-C 3.46Å; C284-G294 WeakPolarHBondContact O-CA 3.34Å; C284-T295 PolarHBondContact O-N 2.98Å; C284-C315 VanDerWaalsContact CA-SG 3.56Å; C284-C315 HydrophobicContact CB-CB 3.75Å; C284-C315 WeakPolarHBondContact CB-SG 3.27Å; C284-C315 WeakPolarHBondContact SG-CB 3.43Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 2.77Å; C284-R317 PolarHBondContact O-NH1 3.07Å
285	L	94.9	Very high	94	Very high	105 Å²	105	55.4 Å²	55.4	55%	0.55	29%	0.29	S	S	.	.	S	Bend	trans	-104.7	148.3	-177.7	-60.4	179.2	0	0	0	111.6	N287 S292	L285-N287 PolarHBondContact O-N 3.2Å; L285-S292 WeakPolarHBondContact O-CB 3.49Å; L285-S292 PolarHBondContact O-OG 2.77Å
286	A	93.4	Very high	94	Very high	79 Å²	79	64.8 Å²	64.8	65%	0.653	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.9	174.5	0	0	0	0	0	109.8	S292 L293	A286-S292 WeakPolarHBondContact CA-O 3.3Å; A286-L293 WeakPolarHBondContact CB-O 3.2Å
287	N	92.9	Very high	93.8	Very high	65 Å²	65	66.3 Å²	66.3	35%	0.348	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	112.8	-179.5	-176	-22.5	0	0	0	110.5	L285 K289 T290 G291 S292	L285-N287 PolarHBondContact O-N 3.2Å; N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.87Å; N287-K289 WeakPolarHBondContact OD1-CB 3.27Å; N287-K289 PolarHBondContact OD1-N 2.95Å; N287-T290 WeakPolarHBondContact CB-OG1 3.23Å; N287-T290 PolarHBondContact O-OG1 3.45Å; N287-T290 PolarHBondContact OD1-N 2.87Å; N287-G291 CarbonylContact O-C 3.53Å; N287-G291 WeakPolarHBondContact O-CA 3.37Å; N287-G291 PolarHBondContact O-N 2.97Å; N287-S292 PolarHBondContact N-O 2.72Å; N287-S292 PolarHBondContact O-N 3.42Å
288	R	90.9	Very high	93.8	Very high	192 Å²	192	66.8 Å²	66.8	73%	0.725	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.7	-177.6	-62.5	-177.3	176.2	179.5	2.5	113.5	Y93	Y93-R288 HydrophobicContact CE1-CB 3.92Å; Y93-R288 HydrophobicContact CE1-CG 3.89Å; Y93-R288 PolarHBondContact OH-NE 3.27Å
289	K	90	Very high	93.7	Very high	187 Å²	187	68 Å²	68	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-48.4	-179.4	-66.1	-177.7	177.9	179.2	0	110.8	N287 G291	N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 2.87Å; N287-K289 WeakPolarHBondContact OD1-CB 3.27Å; N287-K289 PolarHBondContact OD1-N 2.95Å; K289-G291 VanDerWaalsContact C-N 3.32Å
290	T	90.2	Very high	93.6	Very high	27 Å²	27	63.1 Å²	63.1	17%	0.166	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.5	178.2	64.4	0	0	0	0	112.5	Q100 P281 N287 S292	Q100-T290 PolarHBondContact NE2-O 2.67Å; P281-T290 HydrophobicContact CB-CG2 3.69Å; P281-T290 HydrophobicContact CG-CG2 4.36Å; N287-T290 WeakPolarHBondContact CB-OG1 3.23Å; N287-T290 PolarHBondContact O-OG1 3.45Å; N287-T290 PolarHBondContact OD1-N 2.87Å; T290-S292 VanDerWaalsContact C-N 3.31Å; T290-S292 PolarHBondContact OG1-N 2.82Å
291	G	90.1	Very high	93.5	Very high	4 Å²	4	64.5 Å²	64.5	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	9.5	-176.1	0	0	0	0	0	114.1	N287 K289	N287-G291 CarbonylContact O-C 3.53Å; N287-G291 WeakPolarHBondContact O-CA 3.37Å; N287-G291 PolarHBondContact O-N 2.97Å; K289-G291 VanDerWaalsContact C-N 3.32Å
292	S	92.9	Very high	93.4	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.028	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	135.3	173.2	176.8	0	0	0	0	111.3	F283 L285 A286 N287 T290 G294	F283-S292 WeakPolarHBondContact CA-OG 3.12Å; F283-S292 PolarHBondContact O-OG 3.17Å; L285-S292 WeakPolarHBondContact O-CB 3.49Å; L285-S292 PolarHBondContact O-OG 2.77Å; A286-S292 WeakPolarHBondContact CA-O 3.3Å; N287-S292 PolarHBondContact N-O 2.72Å; N287-S292 PolarHBondContact O-N 3.42Å; T290-S292 VanDerWaalsContact C-N 3.31Å; T290-S292 PolarHBondContact OG1-N 2.82Å; S292-G294 PolarHBondContact OG-N 2.89Å
293	L	92.6	Very high	93.3	Very high	74 Å²	74	66.8 Å²	66.8	39%	0.387	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-14.7	173.4	-56.7	-175.7	0	0	0	112.8	N91 Y93 A286	N91-L293 HydrophobicContact CB-CD1 4.44Å; N91-L293 HydrophobicContact CB-CD2 4.41Å; N91-L293 WeakPolarHBondContact ND2-CD2 3.38Å; Y93-L293 HydrophobicContact CD2-CD2 3.85Å; A286-L293 WeakPolarHBondContact CB-O 3.2Å
294	G	94.2	Very high	93.1	Very high	12 Å²	12	67.1 Å²	67.1	12%	0.124	36%	0.355	C	S	.	.			trans	75.2	173.6	-168.1	0	0	0	0	0	113.2	F283 C284 S292	F283-G294 WeakPolarHBondContact O-CA 3.38Å; C284-G294 CarbonylContact O-C 3.46Å; C284-G294 WeakPolarHBondContact O-CA 3.34Å; S292-G294 PolarHBondContact OG-N 2.89Å
295	T	95.6	Very high	92.8	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	-107.2	0.1	-179	59.3	0	0	0	0	114.8	R84 C284 G297 R298 L313 R317 C354	R84-T295 HydrophobicContact CB-CG2 3.88Å; R84-T295 HydrophobicContact CG-CG2 4.02Å; C284-T295 PolarHBondContact O-N 2.98Å; T295-G297 PolarHBondContact O-N 3.17Å; T295-R298 VanDerWaalsContact O-CB 3.27Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 WeakPolarHBondContact O-CG 3.23Å; T295-R298 PolarHBondContact O-N 3.49Å; T295-L313 WeakPolarHBondContact CB-O 3.39Å; T295-L313 HydrophobicContact CG2-CD1 4.32Å; T295-L313 VanDerWaalsContact CG2-O 3.3Å; T295-L313 WeakPolarHBondContact CG2-O 3.08Å; T295-L313 PolarHBondContact OG1-O 2.8Å; T295-R317 PolarHBondContact OG1-NH2 3.48Å; T295-C354 VanDerWaalsContact O-CB 3.23Å; T295-C354 WeakPolarHBondContact O-CB 3.36Å
296	R	95.4	Very high	92.6	Very high	198 Å²	198	75 Å²	75	75%	0.747	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	133.6	176.2	178.3	162.1	-161.8	-152.9	-1.3	112	R298 H355	R296-R298 PolarHBondContact O-N 3.4Å; R296-H355 WeakPolarHBondContact CB-O 3.47Å; R296-H355 VanDerWaalsContact CD-OXT 3.28Å; R296-H355 WeakPolarHBondContact CD-OXT 3.33Å; R296-H355 WeakPolarHBondContact CG-O 3.46Å; R296-H355 VanDerWaalsContact CG-OXT 3.27Å; R296-H355 WeakPolarHBondContact CG-OXT 3.26Å; R296-H355 PolarHBondContact NE-OXT 2.6Å
297	G	93.9	Very high	92.4	Very high	47 Å²	47	74.9 Å²	74.9	49%	0.485	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	8	179.5	0	0	0	0	0	114.8	T295 C354	T295-G297 PolarHBondContact O-N 3.17Å; G297-C354 WeakPolarHBondContact CA-O 3.01Å; G297-C354 PolarHBondContact N-O 3.15Å
298	R	94.4	Very high	92.2	Very high	34 Å²	34	72.6 Å²	72.6	13%	0.128	37%	0.37	C	S	.	.			trans	-81.3	140.7	175.8	-69.5	-169.3	61.5	-171.1	-8.1	111.4	R81 R83 R84 T295 R296 L353 C354	R81-R298 PolarHBondContact O-NH2 2.82Å; R83-R298 VanDerWaalsContact O-CZ 3.24Å; R83-R298 PolarHBondContact O-NH1 3.29Å; R83-R298 PolarHBondContact O-NH2 2.04Å; R84-R298 VanDerWaalsContact C-NH1 3.34Å; R84-R298 PolarHBondContact O-NH1 2.89Å; T295-R298 VanDerWaalsContact O-CB 3.27Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 WeakPolarHBondContact O-CG 3.23Å; T295-R298 PolarHBondContact O-N 3.49Å; R296-R298 PolarHBondContact O-N 3.4Å; R298-L353 WeakPolarHBondContact O-CA 3.48Å; R298-C354 PolarHBondContact O-N 3.39Å
299	M	93.8	Very high	92.4	Very high	105 Å²	105	63.5 Å²	63.5	52%	0.517	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.3	170.6	-171.2	178.2	69.8	0	0	110.6	L313 L351 S352 L353	M299-L313 WeakPolarHBondContact O-CD2 3.33Å; M299-L351 HydrophobicContact SD-CD2 3.9Å; M299-S352 CarbonylContact C-O 3.47Å; M299-S352 VanDerWaalsContact CA-O 3.31Å; M299-S352 WeakPolarHBondContact CA-O 3.49Å; M299-L353 HydrophobicContact CB-CD2 4.13Å
300	C	94.4	Very high	92.6	Very high	12 Å²	12	54.8 Å²	54.8	8%	0.081	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167.3	175	61.7	0	0	0	0	109.9	C310 L313 C314 S352	C300-C310 HydrophobicContact CB-CB 3.83Å; C300-C310 WeakPolarHBondContact CB-SG 3.05Å; C300-C310 VanDerWaalsContact SG-CA 3.53Å; C300-C310 WeakPolarHBondContact SG-CB 3.26Å; C300-C310 CovalentContact SG-SG 2.03Å; C300-C310 PolarHBondContact SG-SG 3.16Å; C300-L313 HydrophobicContact CB-CB 4.36Å; C300-L313 HydrophobicContact CB-CD2 3.92Å; C300-C314 VanDerWaalsContact SG-SG 3.62Å; C300-S352 PolarHBondContact N-O 3.03Å; C300-S352 PolarHBondContact SG-O 2.85Å
301	N	93.9	Very high	92.8	Very high	71 Å²	71	58.8 Å²	58.8	38%	0.38	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-102.1	115.8	172.8	-176.2	-9.2	0	0	0	109.4	T303 A304 S308 G309 C310	N301-T303 PolarHBondContact O-N 3.48Å; N301-T303 PolarHBondContact OD1-N 2.91Å; N301-T303 PolarHBondContact OD1-OG1 3.21Å; N301-A304 HydrophobicContact CB-CB 3.84Å; N301-A304 PolarHBondContact O-N 3.34Å; N301-S308 PolarHBondContact N-O 3.47Å; N301-G309 WeakPolarHBondContact O-CA 3.42Å; N301-C310 PolarHBondContact O-N 2.76Å; N301-C310 VanDerWaalsContact O-N 3.13Å
302	S	92.6	Very high	92.9	Very high	49 Å²	49	62.1 Å²	62.1	34%	0.343	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.6	-179.1	52.8	0	0	0	0	113.7	C310 Y319 S352	S302-C310 PolarHBondContact N-SG 3.22Å; S302-Y319 WeakPolarHBondContact CB-OH 3.42Å; S302-S352 WeakPolarHBondContact CB-OG 3.28Å; S302-S352 PolarHBondContact OG-OG 3.48Å
303	T	91.5	Very high	93.1	Very high	113 Å²	113	62 Å²	62	69%	0.693	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.4	-178.1	60.6	0	0	0	0	113.6	N301	N301-T303 PolarHBondContact O-N 3.48Å; N301-T303 PolarHBondContact OD1-N 2.91Å; N301-T303 PolarHBondContact OD1-OG1 3.21Å
304	A	92.7	Very high	93.2	Very high	21 Å²	21	58.5 Å²	58.5	17%	0.174	32%	0.316	C	S	.	.			trans	-83.9	137.1	-179.4	0	0	0	0	0	111.6	N301 S308 G309	N301-A304 HydrophobicContact CB-CB 3.84Å; N301-A304 PolarHBondContact O-N 3.34Å; A304-S308 WeakPolarHBondContact CB-OG 3.36Å; A304-G309 WeakPolarHBondContact O-CA 3.44Å
305	M	89.6	Confident	93.3	Very high	186 Å²	186	59.1 Å²	59.1	92%	0.916	32%	0.318	S	S	*	.			trans	-96.8	-0.3	173.5	-61	-179.3	-177.8	0	0	113
306	D	90.5	Very high	93.2	Very high	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.357	S	S	.	.	S	Bend	trans	-91.7	-167.7	-179.9	71	14.6	0	0	0	111.7	S308 G309	D306-S308 PolarHBondContact O-N 3.22Å; D306-S308 VanDerWaalsContact O-N 3.08Å; D306-S308 WeakPolarHBondContact OD1-CA 3.31Å; D306-S308 VanDerWaalsContact OD1-CB 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.32Å; D306-S308 PolarHBondContact OD1-N 2.03Å; D306-S308 PolarHBondContact OD1-OG 3.13Å; D306-G309 WeakPolarHBondContact O-CA 3.21Å; D306-G309 PolarHBondContact O-N 2.99Å
307	I	89.1	Confident	93.1	Very high	77 Å²	77	62.1 Å²	62.1	40%	0.395	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.6	-178.2	-56.3	163.3	0	0	0	112.4	R83 G309	R83-I307 HydrophobicContact CG-CG2 3.92Å; I307-G309 VanDerWaalsContact C-N 3.3Å
308	S	88.7	Confident	93.2	Very high	17 Å²	17	61.3 Å²	61.3	12%	0.119	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.2	174	76.3	0	0	0	0	113.9	N301 A304 D306	N301-S308 PolarHBondContact N-O 3.47Å; A304-S308 WeakPolarHBondContact CB-OG 3.36Å; D306-S308 PolarHBondContact O-N 3.22Å; D306-S308 VanDerWaalsContact O-N 3.08Å; D306-S308 WeakPolarHBondContact OD1-CA 3.31Å; D306-S308 VanDerWaalsContact OD1-CB 3.26Å; D306-S308 WeakPolarHBondContact OD1-CB 3.32Å; D306-S308 PolarHBondContact OD1-N 2.03Å; D306-S308 PolarHBondContact OD1-OG 3.13Å
309	G	94.6	Very high	93.3	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.01	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-60.8	144.9	175.3	0	0	0	0	0	113.4	N301 A304 D306 I307 D311 L312 L313	N301-G309 WeakPolarHBondContact O-CA 3.42Å; A304-G309 WeakPolarHBondContact O-CA 3.44Å; D306-G309 WeakPolarHBondContact O-CA 3.21Å; D306-G309 PolarHBondContact O-N 2.99Å; I307-G309 VanDerWaalsContact C-N 3.3Å; G309-D311 VanDerWaalsContact C-N 3.29Å; G309-D311 PolarHBondContact O-N 3.44Å; G309-L312 PolarHBondContact O-N 3.37Å; G309-L313 VanDerWaalsContact O-CB 3.31Å; G309-L313 WeakPolarHBondContact O-CB 3.05Å; G309-L313 PolarHBondContact O-N 2.95Å
310	C	94.9	Very high	93.3	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.027	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-35.5	178.2	-65.8	0	0	0	0	112.9	C300 N301 S302 L312 C314 Y319	C300-C310 HydrophobicContact CB-CB 3.83Å; C300-C310 WeakPolarHBondContact CB-SG 3.05Å; C300-C310 VanDerWaalsContact SG-CA 3.53Å; C300-C310 WeakPolarHBondContact SG-CB 3.26Å; C300-C310 CovalentContact SG-SG 2.03Å; C300-C310 PolarHBondContact SG-SG 3.16Å; N301-C310 PolarHBondContact O-N 2.76Å; N301-C310 VanDerWaalsContact O-N 3.13Å; S302-C310 PolarHBondContact N-SG 3.22Å; C310-L312 PolarHBondContact O-N 3Å; C310-C314 WeakPolarHBondContact O-CA 3.31Å; C310-C314 WeakPolarHBondContact O-CB 3.39Å; C310-C314 PolarHBondContact O-N 3.48Å; C310-C314 PolarHBondContact O-SG 3.25Å; C310-Y319 HydrophobicContact CB-CD1 3.33Å; C310-Y319 HydrophobicContact CB-CE1 3.72Å; C310-Y319 HydrophobicContact CB-CG 3.92Å
311	D	93.4	Very high	93.3	Very high	112 Å²	112	70 Å²	70	60%	0.599	36%	0.36	S	S	*	.	H	α-helix	trans	-60	-48.5	-179.6	-61.6	-22.2	0	0	0	111.8	G309 C315 E316	G309-D311 VanDerWaalsContact C-N 3.29Å; G309-D311 PolarHBondContact O-N 3.44Å; D311-C315 PolarHBondContact O-N 3.37Å; D311-E316 PolarHBondContact O-N 3.09Å
312	L	93.3	Very high	93.3	Very high	74 Å²	74	70.5 Å²	70.5	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-76.8	-41.4	-179.1	-66	-176.3	0	0	0	112.7	R84 G309 C310	R84-L312 PolarHBondContact NE-O 3.36Å; R84-L312 PolarHBondContact NH2-O 3.27Å; G309-L312 PolarHBondContact O-N 3.37Å; C310-L312 PolarHBondContact O-N 3Å
313	L	95.3	Very high	93.3	Very high	1 Å²	1	72.3 Å²	72.3	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-74	-39.1	-176.7	-172.4	58.8	0	0	0	112.1	R84 T295 M299 C300 G309 C315	R84-L313 HydrophobicContact CG-CD1 4.36Å; T295-L313 WeakPolarHBondContact CB-O 3.39Å; T295-L313 HydrophobicContact CG2-CD1 4.32Å; T295-L313 VanDerWaalsContact CG2-O 3.3Å; T295-L313 WeakPolarHBondContact CG2-O 3.08Å; T295-L313 PolarHBondContact OG1-O 2.8Å; M299-L313 WeakPolarHBondContact O-CD2 3.33Å; C300-L313 HydrophobicContact CB-CB 4.36Å; C300-L313 HydrophobicContact CB-CD2 3.92Å; G309-L313 VanDerWaalsContact O-CB 3.31Å; G309-L313 WeakPolarHBondContact O-CB 3.05Å; G309-L313 PolarHBondContact O-N 2.95Å; L313-C315 VanDerWaalsContact C-N 3.25Å; L313-C315 PolarHBondContact O-N 3.24Å
314	C	95.8	Very high	93.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2	179	-49.6	0	0	0	0	112.9	C300 C310 E316 R317 G318 C354	C300-C314 VanDerWaalsContact SG-SG 3.62Å; C310-C314 WeakPolarHBondContact O-CA 3.31Å; C310-C314 WeakPolarHBondContact O-CB 3.39Å; C310-C314 PolarHBondContact O-N 3.48Å; C310-C314 PolarHBondContact O-SG 3.25Å; C314-E316 VanDerWaalsContact C-N 3.33Å; C314-E316 PolarHBondContact O-N 2.8Å; C314-R317 WeakPolarHBondContact O-CB 3.49Å; C314-R317 VanDerWaalsContact O-CZ 3.26Å; C314-R317 PolarHBondContact O-N 3.03Å; C314-R317 PolarHBondContact O-NH1 3.46Å; C314-G318 WeakPolarHBondContact CB-O 3.5Å; C314-C354 WeakPolarHBondContact CA-SG 3.44Å; C314-C354 HydrophobicContact CB-CB 3.6Å; C314-C354 WeakPolarHBondContact CB-SG 3.48Å; C314-C354 WeakPolarHBondContact SG-CA 3.4Å; C314-C354 WeakPolarHBondContact SG-CB 3.06Å; C314-C354 CovalentContact SG-SG 2.04Å; C314-C354 PolarHBondContact SG-SG 2.91Å
315	C	95.3	Very high	93.3	Very high	25 Å²	25	71 Å²	71	17%	0.169	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	48.6	178.5	-45.3	0	0	0	0	111.6	R84 C284 D311 L313 R317	R84-C315 PolarHBondContact NE-SG 3.02Å; C284-C315 VanDerWaalsContact CA-SG 3.56Å; C284-C315 HydrophobicContact CB-CB 3.75Å; C284-C315 WeakPolarHBondContact CB-SG 3.27Å; C284-C315 WeakPolarHBondContact SG-CB 3.43Å; C284-C315 CovalentContact SG-SG 2.02Å; C284-C315 PolarHBondContact SG-SG 2.77Å; D311-C315 PolarHBondContact O-N 3.37Å; L313-C315 VanDerWaalsContact C-N 3.25Å; L313-C315 PolarHBondContact O-N 3.24Å; C315-R317 PolarHBondContact O-N 3.08Å
316	E	93.6	Very high	93.4	Very high	176 Å²	176	66.4 Å²	66.4	82%	0.822	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	9.4	177.6	-58.1	170.7	-167.1	0	0	115.1	D311 C314 G318	D311-E316 PolarHBondContact O-N 3.09Å; C314-E316 VanDerWaalsContact C-N 3.33Å; C314-E316 PolarHBondContact O-N 2.8Å; E316-G318 PolarHBondContact O-N 3.01Å
317	R	95.1	Very high	93.6	Very high	86 Å²	86	67.4 Å²	67.4	33%	0.325	34%	0.335	S	S	.	.	S	Bend	trans	-76.3	-5.2	175.8	-61.3	-168.3	-60.2	-83.2	-3.8	113.9	C284 T295 C314 C315 H355	C284-R317 PolarHBondContact O-NH1 3.07Å; T295-R317 PolarHBondContact OG1-NH2 3.48Å; C314-R317 WeakPolarHBondContact O-CB 3.49Å; C314-R317 VanDerWaalsContact O-CZ 3.26Å; C314-R317 PolarHBondContact O-N 3.03Å; C314-R317 PolarHBondContact O-NH1 3.46Å; C315-R317 PolarHBondContact O-N 3.08Å; R317-H355 PolarHBondContact O-CD2 3.43Å; R317-H355 VanDerWaalsContact O-CD2 3.28Å
318	G	94.6	Very high	93.9	Very high	30 Å²	30	67.4 Å²	67.4	31%	0.309	33%	0.334	S	S	.	.			trans	81.1	179.5	-171.1	0	0	0	0	0	114	C314 E316 H355	C314-G318 WeakPolarHBondContact CB-O 3.5Å; E316-G318 PolarHBondContact O-N 3.01Å; G318-H355 PolarHBondContact O-N 3.13Å
319	Y	95.9	Very high	94.2	Very high	80 Å²	80	71.2 Å²	71.2	31%	0.314	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156	178.7	61.9	-85.8	0	0	0	110.6	S302 C310 E321 L353 H355	S302-Y319 WeakPolarHBondContact CB-OH 3.42Å; C310-Y319 HydrophobicContact CB-CD1 3.33Å; C310-Y319 HydrophobicContact CB-CE1 3.72Å; C310-Y319 HydrophobicContact CB-CG 3.92Å; Y319-E321 HydrophobicContact CD2-CG 4.21Å; Y319-E321 HydrophobicContact CE2-CG 3.96Å; Y319-L353 CarbonylContact C-O 3.36Å; Y319-L353 VanDerWaalsContact CA-O 3.23Å; Y319-L353 WeakPolarHBondContact CA-O 3.23Å; Y319-L353 WeakPolarHBondContact CB-O 3.46Å; Y319-H355 PolarHBondContact N-CD2 2.7Å; Y319-H355 PolarHBondContact O-NE2 3.21Å
320	R	95.4	Very high	94.1	Very high	128 Å²	128	72.1 Å²	72.1	48%	0.483	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.4	168.6	69.4	-177.8	-165.6	-151.2	5.7	110.2	E322 S352 L353	R320-E322 IonicContact CZ-OE2 3.81Å; R320-E322 IonicContact NE-OE2 3.61Å; R320-E322 IonicContact NH2-OE2 3.15Å; R320-E322 PolarHBondContact NH2-OE2 2.83Å; R320-E322 VanDerWaalsContact NH2-OE2 3.15Å; R320-S352 WeakPolarHBondContact O-CA 3.17Å; R320-L353 HydrophobicContact CG-CB 4.07Å; R320-L353 PolarHBondContact N-O 2.97Å; R320-L353 PolarHBondContact O-N 3.28Å
321	E	94.6	Very high	94.1	Very high	125 Å²	125	78 Å²	78	58%	0.584	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.8	172.5	-64.2	-177.7	154.5	0	0	110	Y319 L351	Y319-E321 HydrophobicContact CD2-CG 4.21Å; Y319-E321 HydrophobicContact CE2-CG 3.96Å; E321-L351 CarbonylContact C-O 3.46Å; E321-L351 WeakPolarHBondContact CA-O 3.34Å
322	E	92.8	Very high	94.2	Very high	81 Å²	81	75.9 Å²	75.9	38%	0.379	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.1	-178.9	-166.7	171.4	153.7	0	0	108.9	R320 V324 L351 L353	R320-E322 IonicContact CZ-OE2 3.81Å; R320-E322 IonicContact NE-OE2 3.61Å; R320-E322 IonicContact NH2-OE2 3.15Å; R320-E322 PolarHBondContact NH2-OE2 2.83Å; R320-E322 VanDerWaalsContact NH2-OE2 3.15Å; E322-V324 HydrophobicContact CG-CG2 4.17Å; E322-L351 PolarHBondContact N-O 3.34Å; E322-L351 PolarHBondContact O-N 2.77Å; E322-L353 HydrophobicContact CB-CD1 4.27Å; E322-L353 VanDerWaalsContact OE2-CD1 3.24Å; E322-L353 WeakPolarHBondContact OE2-CD1 3.33Å
323	T	92.7	Very high	94.2	Very high	87 Å²	87	81.3 Å²	81.3	53%	0.534	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.7	175.6	-47.9	0	0	0	0	109.4	R348 K349	T323-R348 HydrophobicContact CG2-CB 4.26Å; T323-K349 WeakPolarHBondContact CA-O 3.39Å
324	V	91.6	Very high	94.2	Very high	38 Å²	38	87.7 Å²	87.7	23%	0.23	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137	178.8	-174.6	0	0	0	0	109.5	E322 F326 K349 L351	E322-V324 HydrophobicContact CG-CG2 4.17Å; V324-F326 HydrophobicContact CB-CD2 4.31Å; V324-F326 HydrophobicContact CB-CE2 3.56Å; V324-F326 HydrophobicContact CB-CZ 3.81Å; V324-F326 HydrophobicContact CG1-CD1 4.46Å; V324-F326 HydrophobicContact CG1-CD2 4.13Å; V324-F326 HydrophobicContact CG1-CE1 3.91Å; V324-F326 HydrophobicContact CG1-CE2 3.55Å; V324-F326 HydrophobicContact CG1-CZ 3.42Å; V324-F326 VanDerWaalsContact CG1-CZ 3.42Å; V324-K349 PolarHBondContact N-O 2.55Å; V324-K349 PolarHBondContact O-N 2.82Å; V324-L351 HydrophobicContact CB-CD1 4.12Å; V324-L351 HydrophobicContact CG2-CD1 3.67Å; V324-L351 HydrophobicContact CG2-CG 4.32Å
325	V	93.5	Very high	94	Very high	70 Å²	70	91.5 Å²	91.5	42%	0.424	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.7	176.2	-164.4	0	0	0	0	108.8	M346 V347 R348	V325-M346 HydrophobicContact CB-CE 4.42Å; V325-M346 HydrophobicContact CG1-CB 3.88Å; V325-M346 HydrophobicContact CG1-CE 3.7Å; V325-V347 WeakPolarHBondContact CA-O 2.98Å; V325-R348 HydrophobicContact CG1-CG 4.43Å; V325-R348 HydrophobicContact CG2-CG 4.11Å
326	F	91.4	Very high	93.5	Very high	88 Å²	88	101.6 Å²	101.6	39%	0.386	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.8	177.6	-63.4	-84.4	0	0	0	110.4	V324 V347 K349 L351	V324-F326 HydrophobicContact CB-CD2 4.31Å; V324-F326 HydrophobicContact CB-CE2 3.56Å; V324-F326 HydrophobicContact CB-CZ 3.81Å; V324-F326 HydrophobicContact CG1-CD1 4.46Å; V324-F326 HydrophobicContact CG1-CD2 4.13Å; V324-F326 HydrophobicContact CG1-CE1 3.91Å; V324-F326 HydrophobicContact CG1-CE2 3.55Å; V324-F326 HydrophobicContact CG1-CZ 3.42Å; V324-F326 VanDerWaalsContact CG1-CZ 3.42Å; F326-V347 PolarHBondContact N-O 2.96Å; F326-V347 PolarHBondContact O-N 3.08Å; F326-K349 HydrophobicContact CD2-CB 4.2Å; F326-K349 HydrophobicContact CD2-CD 4.24Å; F326-K349 HydrophobicContact CD2-CG 4.4Å; F326-K349 HydrophobicContact CE2-CB 4.21Å; F326-L351 HydrophobicContact CE2-CD1 4.29Å; F326-L351 HydrophobicContact CZ-CD1 4.14Å
327	E	94.8	Very high	92.8	Very high	116 Å²	116	97.6 Å²	97.6	54%	0.542	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.5	167.9	-169	-168.9	-108.3	0	0	109.1	K344 C345 M346	E327-K344 HydrophobicContact CG-CB 3.85Å; E327-K344 HydrophobicContact CG-CD 4Å; E327-K344 HydrophobicContact CG-CG 4.25Å; E327-K344 VanDerWaalsContact OE2-CD 3.3Å; E327-K344 WeakPolarHBondContact OE2-CD 3.37Å; E327-K344 VanDerWaalsContact OE2-CE 3.24Å; E327-K344 WeakPolarHBondContact OE2-CE 3.49Å; E327-K344 IonicContact OE2-NZ 3.63Å; E327-K344 PolarHBondContact OE2-NZ 3.4Å; E327-C345 WeakPolarHBondContact CA-O 3.08Å; E327-M346 HydrophobicContact CB-SD 3.97Å; E327-M346 HydrophobicContact CG-SD 4.21Å
328	E	94.6	Very high	92.5	Very high	77 Å²	77	98.9 Å²	98.9	36%	0.36	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.7	173.9	60.9	179.7	-141.5	0	0	112.1	C330 C345 V347 K349	E328-C330 PolarHBondContact O-N 3.19Å; E328-C345 PolarHBondContact N-O 3.05Å; E328-C345 PolarHBondContact O-N 3.28Å; E328-V347 HydrophobicContact CG-CB 4.09Å; E328-V347 HydrophobicContact CG-CG2 3.56Å; E328-V347 WeakPolarHBondContact OE1-CG2 3.15Å; E328-K349 IonicContact OE2-NZ 3.21Å; E328-K349 PolarHBondContact OE2-NZ 3.48Å
329	N	94.7	Very high	92.4	Very high	96 Å²	96	100.7 Å²	100.7	51%	0.513	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.5	174.3	-69.3	-16.7	0	0	0	108.6	C342 K343 K344	N329-C342 HydrophobicContact CB-CB 3.88Å; N329-K343 WeakPolarHBondContact CA-O 3.04Å; N329-K344 WeakPolarHBondContact OD1-CD 3.41Å; N329-K344 WeakPolarHBondContact OD1-CE 3.22Å; N329-K344 PolarHBondContact OD1-NZ 3.44Å
330	C	94	Very high	92.3	Very high	21 Å²	21	101.3 Å²	101.3	14%	0.142	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	165	-178.7	64.6	0	0	0	0	110.2	E328 C332 K343 C345	E328-C330 PolarHBondContact O-N 3.19Å; C330-C332 PolarHBondContact O-N 2.82Å; C330-C332 VanDerWaalsContact O-N 3.12Å; C330-K343 PolarHBondContact N-O 2.77Å; C330-K343 PolarHBondContact O-N 3.23Å; C330-K343 PolarHBondContact SG-O 2.83Å; C330-K343 VanDerWaalsContact SG-O 3.33Å; C330-C345 HydrophobicContact CB-CB 3.56Å; C330-C345 WeakPolarHBondContact CB-SG 2.98Å; C330-C345 WeakPolarHBondContact SG-CB 3.44Å; C330-C345 PolarHBondContact SG-N 3.31Å; C330-C345 VanDerWaalsContact SG-N 3.41Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 3.31Å
331	L	94.3	Very high	92.3	Very high	127 Å²	127	100.7 Å²	100.7	67%	0.665	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.5	40.5	173.3	-57.3	173.6	0	0	0	112.9	R333 K343	L331-R333 PolarHBondContact O-N 3.09Å; L331-K343 HydrophobicContact CD1-CD 4.28Å
332	C	95.3	Very high	92.4	Very high	67 Å²	67	97.1 Å²	97.1	45%	0.453	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.4	-179	-62.2	0	0	0	0	111	C330 V340 Q341 C342	C330-C332 PolarHBondContact O-N 2.82Å; C330-C332 VanDerWaalsContact O-N 3.12Å; C332-V340 HydrophobicContact CB-CG1 4.04Å; C332-Q341 CarbonylContact C-O 3.2Å; C332-Q341 WeakPolarHBondContact CA-O 3.46Å; C332-C342 HydrophobicContact CB-CB 4.1Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.26Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.87Å
333	R	94.2	Very high	92.5	Very high	189 Å²	189	100 Å²	100	71%	0.713	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	174	-67	-175.6	177.5	180	-2.2	109.7	L331 Q341	L331-R333 PolarHBondContact O-N 3.09Å; R333-Q341 PolarHBondContact N-O 2.02Å; R333-Q341 PolarHBondContact O-N 3.41Å
334	F	95.1	Very high	92.7	Very high	135 Å²	135	101.6 Å²	101.6	59%	0.592	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.1	171.5	-178.9	-102.1	0	0	0	109.3	V340	F334-V340 HydrophobicContact CD2-CG2 3.91Å
335	H	91.4	Very high	92.9	Very high	79 Å²	79	101.7 Å²	101.7	37%	0.366	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.2	172	-67.7	-97.4	0	0	0	108.1	C337 C338 V339 Q341	H335-C337 PolarHBondContact O-N 2.88Å; H335-C338 PolarHBondContact O-N 2.84Å; H335-C338 VanDerWaalsContact O-N 3.15Å; H335-V339 HydrophobicContact CB-CB 4.49Å; H335-V339 PolarHBondContact N-O 3.5Å; H335-V339 PolarHBondContact O-N 2.67Å; H335-Q341 PolarHBondContact NE2-OE1 3.23Å
336	W	84	Confident	93	Very high	238 Å²	238	104.4 Å²	104.4	90%	0.902	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	126	175.8	-169	93.5	0	0	0	108.9
337	C	78.9	Confident	93.1	Very high	91 Å²	91	102.1 Å²	102.1	62%	0.615	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	20.7	-153.5	89	0	0	0	0	116.5	H335	H335-C337 PolarHBondContact O-N 2.88Å
338	C	87.9	Confident	93	Very high	114 Å²	114	106.3 Å²	106.3	77%	0.77	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	20.7	162.5	-53.6	0	0	0	0	116.5	H335	H335-C338 PolarHBondContact O-N 2.84Å; H335-C338 VanDerWaalsContact O-N 3.15Å
339	V	92.6	Very high	92.8	Very high	68 Å²	68	107.1 Å²	107.1	41%	0.412	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.1	177.9	-175.1	0	0	0	0	110.2	H335 Q341	H335-V339 HydrophobicContact CB-CB 4.49Å; H335-V339 PolarHBondContact N-O 3.5Å; H335-V339 PolarHBondContact O-N 2.67Å; V339-Q341 HydrophobicContact CG1-CG 3.9Å
340	V	94.6	Very high	92.7	Very high	92 Å²	92	109.8 Å²	109.8	56%	0.558	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.7	167.5	-179.9	0	0	0	0	108.1	C332 F334	C332-V340 HydrophobicContact CB-CG1 4.04Å; F334-V340 HydrophobicContact CD2-CG2 3.91Å
341	Q	95	Very high	92.6	Very high	115 Å²	115	110.4 Å²	110.4	54%	0.537	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.1	174.3	-65.2	-172.5	-11.3	0	0	109.3	C332 R333 H335 V339	C332-Q341 CarbonylContact C-O 3.2Å; C332-Q341 WeakPolarHBondContact CA-O 3.46Å; R333-Q341 PolarHBondContact N-O 2.02Å; R333-Q341 PolarHBondContact O-N 3.41Å; H335-Q341 PolarHBondContact NE2-OE1 3.23Å; V339-Q341 HydrophobicContact CG1-CG 3.9Å
342	C	96.7	Very high	92.7	Very high	51 Å²	51	104.8 Å²	104.8	35%	0.345	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.6	176.7	-56.2	0	0	0	0	110.4	N329 C332	N329-C342 HydrophobicContact CB-CB 3.88Å; C332-C342 HydrophobicContact CB-CB 4.1Å; C332-C342 WeakPolarHBondContact CB-SG 3.41Å; C332-C342 WeakPolarHBondContact SG-CB 3.26Å; C332-C342 CovalentContact SG-SG 2.04Å; C332-C342 PolarHBondContact SG-SG 2.87Å
343	K	96.2	Very high	92.7	Very high	141 Å²	141	102.7 Å²	102.7	61%	0.613	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	158.3	165.4	-67.2	-174.9	177.9	-175.4	0	109.6	N329 C330 L331	N329-K343 WeakPolarHBondContact CA-O 3.04Å; C330-K343 PolarHBondContact N-O 2.77Å; C330-K343 PolarHBondContact O-N 3.23Å; C330-K343 PolarHBondContact SG-O 2.83Å; C330-K343 VanDerWaalsContact SG-O 3.33Å; L331-K343 HydrophobicContact CD1-CD 4.28Å
344	K	95.9	Very high	92.8	Very high	120 Å²	120	93.8 Å²	93.8	52%	0.522	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	169.4	-65.8	-54.9	-161	161.3	0	109.2	E327 N329	E327-K344 HydrophobicContact CG-CB 3.85Å; E327-K344 HydrophobicContact CG-CD 4Å; E327-K344 HydrophobicContact CG-CG 4.25Å; E327-K344 VanDerWaalsContact OE2-CD 3.3Å; E327-K344 WeakPolarHBondContact OE2-CD 3.37Å; E327-K344 VanDerWaalsContact OE2-CE 3.24Å; E327-K344 WeakPolarHBondContact OE2-CE 3.49Å; E327-K344 IonicContact OE2-NZ 3.63Å; E327-K344 PolarHBondContact OE2-NZ 3.4Å; N329-K344 WeakPolarHBondContact OD1-CD 3.41Å; N329-K344 WeakPolarHBondContact OD1-CE 3.22Å; N329-K344 PolarHBondContact OD1-NZ 3.44Å
345	C	95.6	Very high	92.8	Very high	40 Å²	40	92 Å²	92	27%	0.27	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	143	174.5	-72.6	0	0	0	0	110.3	E327 E328 C330 V347	E327-C345 WeakPolarHBondContact CA-O 3.08Å; E328-C345 PolarHBondContact N-O 3.05Å; E328-C345 PolarHBondContact O-N 3.28Å; C330-C345 HydrophobicContact CB-CB 3.56Å; C330-C345 WeakPolarHBondContact CB-SG 2.98Å; C330-C345 WeakPolarHBondContact SG-CB 3.44Å; C330-C345 PolarHBondContact SG-N 3.31Å; C330-C345 VanDerWaalsContact SG-N 3.41Å; C330-C345 CovalentContact SG-SG 2Å; C330-C345 PolarHBondContact SG-SG 3.31Å; C345-V347 HydrophobicContact CB-CG2 4.5Å
346	M	95.3	Very high	92.8	Very high	127 Å²	127	92.7 Å²	92.7	63%	0.626	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.7	170.8	-61.7	-57.8	-82.2	0	0	108.9	V325 E327	V325-M346 HydrophobicContact CB-CE 4.42Å; V325-M346 HydrophobicContact CG1-CB 3.88Å; V325-M346 HydrophobicContact CG1-CE 3.7Å; E327-M346 HydrophobicContact CB-SD 3.97Å; E327-M346 HydrophobicContact CG-SD 4.21Å
347	V	94	Very high	93.3	Very high	40 Å²	40	85 Å²	85	24%	0.242	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	-179.9	177.1	0	0	0	0	109.4	V325 F326 E328 C345 K349	V325-V347 WeakPolarHBondContact CA-O 2.98Å; F326-V347 PolarHBondContact N-O 2.96Å; F326-V347 PolarHBondContact O-N 3.08Å; E328-V347 HydrophobicContact CG-CB 4.09Å; E328-V347 HydrophobicContact CG-CG2 3.56Å; E328-V347 WeakPolarHBondContact OE1-CG2 3.15Å; C345-V347 HydrophobicContact CB-CG2 4.5Å; V347-K349 HydrophobicContact CG1-CG 4.32Å
348	R	92.9	Very high	94.1	Very high	204 Å²	204	84.7 Å²	84.7	77%	0.77	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.5	175	-59.2	-172.8	177.4	176.3	-0.9	108.6	T323 V325	T323-R348 HydrophobicContact CG2-CB 4.26Å; V325-R348 HydrophobicContact CG1-CG 4.43Å; V325-R348 HydrophobicContact CG2-CG 4.11Å
349	K	90.8	Very high	94.4	Very high	94 Å²	94	82.9 Å²	82.9	41%	0.409	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.4	172.7	-68.8	-177.3	-178.3	165.8	0	109.1	T323 V324 F326 E328 V347 L351	T323-K349 WeakPolarHBondContact CA-O 3.39Å; V324-K349 PolarHBondContact N-O 2.55Å; V324-K349 PolarHBondContact O-N 2.82Å; F326-K349 HydrophobicContact CD2-CB 4.2Å; F326-K349 HydrophobicContact CD2-CD 4.24Å; F326-K349 HydrophobicContact CD2-CG 4.4Å; F326-K349 HydrophobicContact CE2-CB 4.21Å; E328-K349 IonicContact OE2-NZ 3.21Å; E328-K349 PolarHBondContact OE2-NZ 3.48Å; V347-K349 HydrophobicContact CG1-CG 4.32Å; K349-L351 HydrophobicContact CB-CD2 4.48Å
350	E	91.2	Very high	94.6	Very high	153 Å²	153	83.9 Å²	83.9	72%	0.715	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.5	172	-67.8	174.8	177.9	0	0	108.5
351	L	93	Very high	94.5	Very high	33 Å²	33	83.3 Å²	83.3	17%	0.173	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	179.9	-55.2	-178	0	0	0	109.3	M299 E321 E322 V324 F326 K349	M299-L351 HydrophobicContact SD-CD2 3.9Å; E321-L351 CarbonylContact C-O 3.46Å; E321-L351 WeakPolarHBondContact CA-O 3.34Å; E322-L351 PolarHBondContact N-O 3.34Å; E322-L351 PolarHBondContact O-N 2.77Å; V324-L351 HydrophobicContact CB-CD1 4.12Å; V324-L351 HydrophobicContact CG2-CD1 3.67Å; V324-L351 HydrophobicContact CG2-CG 4.32Å; F326-L351 HydrophobicContact CE2-CD1 4.29Å; F326-L351 HydrophobicContact CZ-CD1 4.14Å; K349-L351 HydrophobicContact CB-CD2 4.48Å
352	S	95.4	Very high	94.5	Very high	10 Å²	10	81.1 Å²	81.1	7%	0.07	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.8	171.1	-49.9	0	0	0	0	109.2	M299 C300 S302 R320	M299-S352 CarbonylContact C-O 3.47Å; M299-S352 VanDerWaalsContact CA-O 3.31Å; M299-S352 WeakPolarHBondContact CA-O 3.49Å; C300-S352 PolarHBondContact N-O 3.03Å; C300-S352 PolarHBondContact SG-O 2.85Å; S302-S352 WeakPolarHBondContact CB-OG 3.28Å; S302-S352 PolarHBondContact OG-OG 3.48Å; R320-S352 WeakPolarHBondContact O-CA 3.17Å
353	L	95.6	Very high	94.3	Very high	23 Å²	23	83.4 Å²	83.4	12%	0.12	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.6	-175.9	-60.6	178.4	0	0	0	111.1	R298 M299 Y319 R320 E322	R298-L353 WeakPolarHBondContact O-CA 3.48Å; M299-L353 HydrophobicContact CB-CD2 4.13Å; Y319-L353 CarbonylContact C-O 3.36Å; Y319-L353 VanDerWaalsContact CA-O 3.23Å; Y319-L353 WeakPolarHBondContact CA-O 3.23Å; Y319-L353 WeakPolarHBondContact CB-O 3.46Å; R320-L353 HydrophobicContact CG-CB 4.07Å; R320-L353 PolarHBondContact N-O 2.97Å; R320-L353 PolarHBondContact O-N 3.28Å; E322-L353 HydrophobicContact CB-CD1 4.27Å; E322-L353 VanDerWaalsContact OE2-CD1 3.24Å; E322-L353 WeakPolarHBondContact OE2-CD1 3.33Å
354	C	95.9	Very high	94.2	Very high	2 Å²	2	78.6 Å²	78.6	1%	0.014	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141	177.4	-62	0	0	0	0	112.8	T295 G297 R298 C314	T295-C354 VanDerWaalsContact O-CB 3.23Å; T295-C354 WeakPolarHBondContact O-CB 3.36Å; G297-C354 WeakPolarHBondContact CA-O 3.01Å; G297-C354 PolarHBondContact N-O 3.15Å; R298-C354 PolarHBondContact O-N 3.39Å; C314-C354 WeakPolarHBondContact CA-SG 3.44Å; C314-C354 HydrophobicContact CB-CB 3.6Å; C314-C354 WeakPolarHBondContact CB-SG 3.48Å; C314-C354 WeakPolarHBondContact SG-CA 3.4Å; C314-C354 WeakPolarHBondContact SG-CB 3.06Å; C314-C354 CovalentContact SG-SG 2.04Å; C314-C354 PolarHBondContact SG-SG 2.91Å
355	H	94.7	Very high	94	Very high	97 Å²	97	74.8 Å²	74.8	45%	0.449	35%	0.351	S	S	.	.			trans	-62.3	0	177.4	-75.4	-48.2	0	0	0	115.1	R296 R317 G318 Y319	R296-H355 WeakPolarHBondContact CB-O 3.47Å; R296-H355 VanDerWaalsContact CD-OXT 3.28Å; R296-H355 WeakPolarHBondContact CD-OXT 3.33Å; R296-H355 WeakPolarHBondContact CG-O 3.46Å; R296-H355 VanDerWaalsContact CG-OXT 3.27Å; R296-H355 WeakPolarHBondContact CG-OXT 3.26Å; R296-H355 PolarHBondContact NE-OXT 2.6Å; R317-H355 PolarHBondContact O-CD2 3.43Å; R317-H355 VanDerWaalsContact O-CD2 3.28Å; G318-H355 PolarHBondContact O-N 3.13Å; Y319-H355 PolarHBondContact N-CD2 2.7Å; Y319-H355 PolarHBondContact O-NE2 3.21Å

Retrieved 355 of 355 residues in 357.9 ms (Link to these results)

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