A0A077ZET1_TRITR Loading...

Putative transcriptional regulator IlvY

AlphaFold DB , UniProt , Accession A0A077ZET1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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	25.8	Very low	22.4	Very low	200 Å²	200	144.6 Å²	144.6	99%	0.985	75%	0.753	S	S	*	*				0	123.5	0	-84	174	175	0	0	108.1	Y3 D135	M1-Y3 PolarHBondContact O-N 3.18Å; M1-D135 HydrophobicContact CE-CB 4.33Å
2	T	20	Very low	22.4	Very low	141 Å²	141	146.8 Å²	146.8	87%	0.865	75%	0.752	S	S	*	*			trans	-81.2	109.3	175	-19.5	0	0	0	0	107.1	Q4	T2-Q4 PolarHBondContact O-N 3.16Å; T2-Q4 VanDerWaalsContact O-N 3.1Å
3	Y	21.2	Very low	22.2	Very low	213 Å²	213	152.2 Å²	152.2	84%	0.835	77%	0.768	S	S	*	*			trans	-63.7	108.8	169.9	-65	-91.1	0	0	0	107.4	M1 S5	M1-Y3 PolarHBondContact O-N 3.18Å; Y3-S5 PolarHBondContact O-N 2.69Å
4	Q	20.6	Very low	22	Very low	159 Å²	159	146.3 Å²	146.3	74%	0.743	75%	0.748	S	S	*	*			trans	-75.2	90.1	160.8	-84.3	-172.6	-21	0	0	106.9	T2 F6	T2-Q4 PolarHBondContact O-N 3.16Å; T2-Q4 VanDerWaalsContact O-N 3.1Å; Q4-F6 HydrophobicContact CB-CE2 4.39Å; Q4-F6 PolarHBondContact O-N 2.85Å
5	S	22.8	Very low	21.9	Very low	107 Å²	107	153.5 Å²	153.5	75%	0.748	76%	0.762	S	S	*	*			trans	-63.5	108.9	162.6	54.6	0	0	0	0	107.7	Y3 S7	Y3-S5 PolarHBondContact O-N 2.69Å; S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 2.96Å
6	F	23.4	Very low	21.9	Very low	171 Å²	171	150.1 Å²	150.1	75%	0.75	76%	0.756	S	S	*	*			trans	-74.2	93.7	164.7	-72.1	-87	0	0	0	107.6	Q4 L8	Q4-F6 HydrophobicContact CB-CE2 4.39Å; Q4-F6 PolarHBondContact O-N 2.85Å; F6-L8 PolarHBondContact O-N 3.37Å
7	S	23	Very low	22	Very low	93 Å²	93	147.1 Å²	147.1	65%	0.65	76%	0.759	S	S	*	*			trans	-74	108.8	161.7	-174.6	0	0	0	0	107	S5 D9	S5-S7 VanDerWaalsContact C-N 3.34Å; S5-S7 PolarHBondContact O-N 2.96Å; S7-D9 PolarHBondContact O-N 3.08Å; S7-D9 PolarHBondContact OG-OD1 3.46Å
8	L	24.4	Very low	22	Very low	114 Å²	114	147 Å²	147	60%	0.597	76%	0.76	S	S	*	*			trans	-80.2	96.3	166.5	-80	158.3	0	0	0	106.8	F6 F10	F6-L8 PolarHBondContact O-N 3.37Å; L8-F10 HydrophobicContact CB-CD2 4.48Å; L8-F10 HydrophobicContact CB-CE2 4.11Å; L8-F10 WeakPolarHBondContact O-CD2 3.25Å; L8-F10 PolarHBondContact O-N 3.17Å
9	D	21.5	Very low	22.1	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	77%	0.769	S	S	*	*			trans	-66.8	99.1	172	-72.5	-13.5	0	0	0	108.4	S7 P11	S7-D9 PolarHBondContact O-N 3.08Å; S7-D9 PolarHBondContact OG-OD1 3.46Å; D9-P11 VanDerWaalsContact O-CD 3.25Å; D9-P11 WeakPolarHBondContact O-CD 3.22Å
10	F	23	Very low	22.2	Very low	133 Å²	133	143.5 Å²	143.5	58%	0.583	75%	0.753	S	S	*	*			trans	-74.1	115.1	176	-75.6	-87	0	0	0	110.3	L8 F12	L8-F10 HydrophobicContact CB-CD2 4.48Å; L8-F10 HydrophobicContact CB-CE2 4.11Å; L8-F10 WeakPolarHBondContact O-CD2 3.25Å; L8-F10 PolarHBondContact O-N 3.17Å; F10-F12 VanDerWaalsContact C-N 3.31Å; F10-F12 PolarHBondContact O-N 3.28Å; F10-F12 VanDerWaalsContact O-N 3.08Å
11	P	20.7	Very low	22.3	Very low	117 Å²	117	145 Å²	145	76%	0.76	75%	0.754	S	S	*	*			trans	-87	74	171.9	35.3	-28.5	0	0	0	109.1	D9	D9-P11 VanDerWaalsContact O-CD 3.25Å; D9-P11 WeakPolarHBondContact O-CD 3.22Å
12	F	22.1	Very low	22.3	Very low	170 Å²	170	141.3 Å²	141.3	75%	0.746	74%	0.736	S	S	*	*			trans	-114.6	54.4	164.5	-89	-78	0	0	0	110.9	F10 S14	F10-F12 VanDerWaalsContact C-N 3.31Å; F10-F12 PolarHBondContact O-N 3.28Å; F10-F12 VanDerWaalsContact O-N 3.08Å; F12-S14 PolarHBondContact O-N 3.34Å
13	F	19.6	Very low	22.5	Very low	218 Å²	218	136.9 Å²	136.9	96%	0.956	71%	0.709	S	S	*	*			trans	-79.7	73.6	153.4	-85.9	-85.7	0	0	0	109.1
14	S	20.6	Very low	22.7	Very low	69 Å²	69	128.1 Å²	128.1	48%	0.483	68%	0.68	S	S	.	*			trans	-116.6	110.2	156.1	56.6	0	0	0	0	106.8	F12 C16	F12-S14 PolarHBondContact O-N 3.34Å; S14-C16 PolarHBondContact O-N 3.4Å
15	R	19.9	Very low	22.9	Very low	255 Å²	255	121.8 Å²	121.8	96%	0.962	65%	0.651	S	S	*	*			trans	-57.6	77.3	166.4	-82.7	179.7	172.7	173.5	-2.3	108.7	A17	R15-A17 PolarHBondContact O-N 3.26Å; R15-A17 VanDerWaalsContact O-N 3.16Å
16	C	21.1	Very low	23.1	Very low	99 Å²	99	118 Å²	118	67%	0.669	62%	0.622	S	S	*	*			trans	-78.3	97.7	167.7	-79.9	0	0	0	0	106.3	S14 N18	S14-C16 PolarHBondContact O-N 3.4Å; C16-N18 PolarHBondContact O-N 2.91Å
17	A	23.9	Very low	23.3	Very low	98 Å²	98	113.5 Å²	113.5	81%	0.81	60%	0.6	S	S	*	*			trans	-68.1	34.4	173.3	0	0	0	0	0	113.1	R15	R15-A17 PolarHBondContact O-N 3.26Å; R15-A17 VanDerWaalsContact O-N 3.16Å
18	N	21.9	Very low	23.6	Very low	146 Å²	146	109.3 Å²	109.3	78%	0.781	57%	0.572	S	S	*	*			trans	-112.7	102.3	176.5	-85.9	-19.4	0	0	0	109.8	C16 G20	C16-N18 PolarHBondContact O-N 2.91Å; N18-G20 VanDerWaalsContact C-N 3.32Å; N18-G20 PolarHBondContact O-N 3.14Å
19	I	25.2	Very low	23.8	Very low	181 Å²	181	105.1 Å²	105.1	93%	0.928	55%	0.552	S	S	*	*			trans	-60.7	93.3	164.7	-61.6	165.8	0	0	0	107
20	G	23.8	Very low	24	Very low	43 Å²	43	100.6 Å²	100.6	44%	0.443	53%	0.527	S	S	.	.	S	Bend	trans	-176.7	108.2	175.8	0	0	0	0	0	109.1	N18 I22	N18-G20 VanDerWaalsContact C-N 3.32Å; N18-G20 PolarHBondContact O-N 3.14Å; G20-I22 PolarHBondContact O-N 2.98Å
21	K	24.9	Very low	24.2	Very low	176 Å²	176	97 Å²	97	77%	0.765	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-53.6	127.2	-174.1	-66.9	174.8	176.1	179.9	0	111.5	V104	K21-V104 HydrophobicContact CD-CG2 4.2Å; K21-V104 VanDerWaalsContact NZ-CG2 3.31Å
22	I	24.5	Very low	24.6	Very low	122 Å²	122	96 Å²	96	63%	0.626	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-85.2	116.9	171.3	-59.7	173.6	0	0	0	107.7	G20	G20-I22 PolarHBondContact O-N 2.98Å
23	V	25	Very low	24.9	Very low	48 Å²	48	94.6 Å²	94.6	29%	0.291	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-96.8	118.3	166.7	178.8	0	0	0	0	107	Y65 F107	V23-Y65 HydrophobicContact CG1-CD1 3.83Å; V23-Y65 HydrophobicContact CG1-CE1 4.12Å; V23-F107 HydrophobicContact CG2-CE1 4.27Å; V23-F107 HydrophobicContact CG2-CZ 4.29Å
24	A	24.5	Very low	25.3	Very low	28 Å²	28	91.9 Å²	91.9	23%	0.231	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-103.9	124.3	179.4	0	0	0	0	0	111.2
25	E	26	Very low	25.6	Very low	27 Å²	27	96.1 Å²	96.1	13%	0.126	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-75.3	135.8	159.2	-170.4	174.9	-178.5	0	0	107.4	R27 Q92 A93 K94	E25-R27 HydrophobicContact CG-CG 4.39Å; E25-R27 IonicContact OE1-CZ 3.45Å; E25-R27 IonicContact OE1-NE 3.38Å; E25-R27 PolarHBondContact OE1-NE 3.07Å; E25-R27 IonicContact OE1-NH2 2.67Å; E25-R27 PolarHBondContact OE1-NH2 2.94Å; E25-Q92 CarbonylContact C-O 3.55Å; E25-Q92 CarbonylContact O-C 3.47Å; E25-A93 WeakPolarHBondContact O-CA 3.42Å; E25-K94 VanDerWaalsContact OE2-CD 3.31Å; E25-K94 WeakPolarHBondContact OE2-CD 3.49Å; E25-K94 VanDerWaalsContact OE2-CE 3.25Å; E25-K94 WeakPolarHBondContact OE2-CE 3.04Å; E25-K94 IonicContact OE2-NZ 3.16Å; E25-K94 PolarHBondContact OE2-NZ 2.95Å
26	I	27.1	Very low	25.9	Very low	28 Å²	28	85.8 Å²	85.8	14%	0.144	47%	0.474	C	S	.	.			trans	-124.7	124.7	177.2	-56.6	-172.1	0	0	0	108.3	M66 L91	I26-M66 HydrophobicContact CD1-CG 4.2Å; I26-M66 HydrophobicContact CD1-SD 3.23Å; I26-M66 WeakPolarHBondContact CD1-SD 3.3Å; I26-L91 HydrophobicContact CB-CD1 4.19Å; I26-L91 HydrophobicContact CD1-CD1 3.98Å; I26-L91 HydrophobicContact CG1-CD1 3.87Å; I26-L91 HydrophobicContact CG2-CD1 3.59Å; I26-L91 HydrophobicContact CG2-CG 4.18Å
27	R	27.5	Very low	26	Very low	76 Å²	76	87.6 Å²	87.6	29%	0.287	48%	0.477	S	S	.	.			trans	-129.2	108.8	178.9	-60.6	-176.7	178.9	-167.9	-13.6	109.6	E25 L60 F90 Q92	E25-R27 HydrophobicContact CG-CG 4.39Å; E25-R27 IonicContact OE1-CZ 3.45Å; E25-R27 IonicContact OE1-NE 3.38Å; E25-R27 PolarHBondContact OE1-NE 3.07Å; E25-R27 IonicContact OE1-NH2 2.67Å; E25-R27 PolarHBondContact OE1-NH2 2.94Å; R27-L60 HydrophobicContact CG-CD2 3.95Å; R27-F90 CarbonylContact C-O 3.57Å; R27-F90 CarbonylContact O-C 3.53Å; R27-Q92 HydrophobicContact CB-CB 4.34Å; R27-Q92 VanDerWaalsContact CD-OE1 3.29Å; R27-Q92 HydrophobicContact CG-CB 4.47Å
28	G	29	Very low	26.1	Very low	5 Å²	5	84.5 Å²	84.5	5%	0.052	45%	0.446	C	S	.	.			trans	-83	165.2	168.3	0	0	0	0	0	112.1	F90	G28-F90 WeakPolarHBondContact CA-O 3.4Å
29	S	27.9	Very low	26.2	Very low	26 Å²	26	87.6 Å²	87.6	18%	0.182	45%	0.449	C	S	.	.			trans	-148.2	131.5	169.5	-65	0	0	0	0	108.7
30	L	26.5	Very low	26.2	Very low	48 Å²	48	84.3 Å²	84.3	25%	0.251	44%	0.441	S	S	.	.			trans	-92.3	137.6	177.3	-66.9	167	0	0	0	109.3	W32 V76 L87	L30-W32 HydrophobicContact CB-CE3 4.26Å; L30-W32 HydrophobicContact CB-CZ3 4.16Å; L30-V76 HydrophobicContact CD1-CG1 3.93Å; L30-V76 HydrophobicContact CD1-CG2 4.12Å; L30-V76 HydrophobicContact CD2-CG1 4.29Å; L30-V76 HydrophobicContact CD2-CG2 3.88Å; L30-L87 HydrophobicContact CD2-CD1 3.13Å; L30-L87 HydrophobicContact CD2-CG 3.97Å
31	V	27	Very low	26.1	Very low	58 Å²	58	89 Å²	89	35%	0.352	46%	0.455	S	S	.	.			trans	-128.3	124.6	176.8	-175.6	0	0	0	0	107.9	R86	V31-R86 VanDerWaalsContact O-O 3.07Å
32	W	29.3	Very low	26	Very low	96 Å²	96	84 Å²	84	36%	0.364	45%	0.454	S	S	.	.			trans	-128.8	170.4	179.5	60.9	84.3	0	0	0	111.6	L30 Y57	L30-W32 HydrophobicContact CB-CE3 4.26Å; L30-W32 HydrophobicContact CB-CZ3 4.16Å; W32-Y57 HydrophobicContact CZ2-CD2 4.39Å
33	N	27.4	Very low	26	Very low	139 Å²	139	83.7 Å²	83.7	74%	0.743	46%	0.458	S	S	*	.			trans	-105.3	158.4	-179.9	-68.4	-26.2	0	0	0	110.8	D35	N33-D35 PolarHBondContact O-N 2.75Å; N33-D35 VanDerWaalsContact O-N 3.13Å
34	D	28.4	Very low	25.9	Very low	161 Å²	161	84.5 Å²	84.5	86%	0.861	47%	0.466	S	S	*	.	S	Bend	trans	-66.2	-12.9	-156.6	-64.8	-31.6	0	0	0	118.1	D36	D34-D36 VanDerWaalsContact C-N 3.32Å; D34-D36 PolarHBondContact O-N 2.88Å
35	D	27.7	Very low	25.7	Very low	159 Å²	159	90.7 Å²	90.7	85%	0.85	49%	0.49	S	S	*	.			trans	-90.1	20.4	-166.3	-64.9	-38.1	0	0	0	115.4	N33	N33-D35 PolarHBondContact O-N 2.75Å; N33-D35 VanDerWaalsContact O-N 3.13Å
36	D	25.4	Very low	25.5	Very low	37 Å²	37	95.3 Å²	95.3	20%	0.198	52%	0.515	C	S	.	.			trans	-119.9	91.1	-163.8	-96.2	-10.2	0	0	0	110.7	D34 I50 L80	D34-D36 VanDerWaalsContact C-N 3.32Å; D34-D36 PolarHBondContact O-N 2.88Å; D36-I50 VanDerWaalsContact O-CD1 3.25Å; D36-I50 WeakPolarHBondContact O-CD1 3.28Å; D36-L80 VanDerWaalsContact C-CD2 3.47Å; D36-L80 HydrophobicContact CB-CD1 3.41Å; D36-L80 VanDerWaalsContact CB-CD1 3.41Å; D36-L80 HydrophobicContact CB-CD2 4.38Å
37	D	23.4	Very low	25.3	Very low	138 Å²	138	99 Å²	99	74%	0.738	53%	0.534	S	S	*	.			trans	-77.2	104	-174.8	-83.9	-33.8	0	0	0	117.7	I50 L80	D37-I50 HydrophobicContact CB-CD1 4.39Å; D37-L80 VanDerWaalsContact N-CD2 3.28Å; D37-L80 WeakPolarHBondContact O-CD2 3.33Å
38	I	25.5	Very low	24.9	Very low	32 Å²	32	98.4 Å²	98.4	16%	0.164	54%	0.542	C	S	.	.			trans	-116.1	143.7	-171	-32.5	-167	0	0	0	115	S48 I50 S79 L80	I38-S48 WeakPolarHBondContact CB-OG 3.26Å; I38-S48 WeakPolarHBondContact CD1-OG 3.32Å; I38-S48 WeakPolarHBondContact CG2-OG 3.41Å; I38-I50 HydrophobicContact CG1-CD1 4.36Å; I38-S79 WeakPolarHBondContact CG2-OG 3.25Å; I38-L80 HydrophobicContact CB-CD2 4.45Å; I38-L80 HydrophobicContact CB-CG 4.41Å; I38-L80 HydrophobicContact CD1-CD1 3.35Å; I38-L80 HydrophobicContact CD1-CD2 4.47Å; I38-L80 HydrophobicContact CD1-CG 3.77Å; I38-L80 HydrophobicContact CG1-CD1 3.48Å; I38-L80 VanDerWaalsContact CG1-CD1 3.48Å; I38-L80 HydrophobicContact CG1-CD2 3.7Å; I38-L80 HydrophobicContact CG1-CG 3.5Å
39	Y	24.2	Very low	24.6	Very low	211 Å²	211	101.6 Å²	101.6	83%	0.827	55%	0.554	S	S	*	*			trans	-134.9	163.8	178.5	-133.4	-93.7	0	0	0	115
40	C	25.3	Very low	24.3	Very low	113 Å²	113	104.5 Å²	104.5	76%	0.764	57%	0.567	S	S	*	*			trans	121.8	162.3	151.9	-122.7	0	0	0	0	119.6
41	D	22.1	Very low	24.1	Very low	140 Å²	140	104.4 Å²	104.4	75%	0.749	58%	0.577	S	S	*	*			trans	-101.2	162.8	-131	63.8	-11.5	0	0	0	116.6	T43	D41-T43 PolarHBondContact O-N 3.23Å
42	G	23.3	Very low	24.1	Very low	71 Å²	71	109 Å²	109	73%	0.732	60%	0.6	S	S	*	*	S	Bend	trans	-74.2	116.9	-156.8	0	0	0	0	0	115.8
43	T	23.1	Very low	23.8	Very low	116 Å²	116	113.3 Å²	113.3	71%	0.712	62%	0.621	S	S	*	*	S	Bend		-169.6	8.3	129.4	20	0	0	0	0	114.7	D41	D41-T43 PolarHBondContact O-N 3.23Å
44	S	23.8	Very low	23.7	Very low	66 Å²	66	117.4 Å²	117.4	46%	0.462	63%	0.633	S	S	.	*			trans	-105.8	106.3	172.8	31.8	0	0	0	0	111.2	L46	S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 2.97Å
45	Q	20.5	Very low	23.5	Very low	158 Å²	158	112.3 Å²	112.3	74%	0.738	61%	0.612	S	S	*	*			trans	-77	76.9	171.6	-72.8	-178.2	-32.2	0	0	110.4
46	L	21.9	Very low	23.4	Very low	123 Å²	123	112.4 Å²	112.4	64%	0.644	61%	0.608	S	S	*	*	S	Bend	trans	-170.6	58.4	148.5	-136.9	88.5	0	0	0	109	S44	S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 2.97Å
47	L	21.6	Very low	23.6	Very low	106 Å²	106	114.5 Å²	114.5	56%	0.555	61%	0.614	S	S	*	*				73.1	99.3	108.8	-69.9	173.2	0	0	0	116.7	F49	L47-F49 HydrophobicContact CB-CD2 4.21Å; L47-F49 HydrophobicContact CB-CE2 3.58Å; L47-F49 HydrophobicContact CB-CZ 4.07Å; L47-F49 HydrophobicContact CD1-CE2 3.66Å; L47-F49 HydrophobicContact CD1-CZ 3.51Å; L47-F49 HydrophobicContact CD2-CD1 4.42Å; L47-F49 HydrophobicContact CD2-CD2 4.41Å; L47-F49 HydrophobicContact CD2-CE1 3.63Å; L47-F49 HydrophobicContact CD2-CE2 3.63Å; L47-F49 HydrophobicContact CD2-CZ 3.18Å; L47-F49 HydrophobicContact CG-CE2 3.78Å; L47-F49 HydrophobicContact CG-CZ 3.73Å
48	S	20.4	Very low	23.7	Very low	63 Å²	63	115.1 Å²	115.1	44%	0.441	61%	0.61	S	S	.	*			trans	-114	138.1	146.6	169.8	0	0	0	0	108.7	I38	I38-S48 WeakPolarHBondContact CB-OG 3.26Å; I38-S48 WeakPolarHBondContact CD1-OG 3.32Å; I38-S48 WeakPolarHBondContact CG2-OG 3.41Å
49	F	22	Very low	23.8	Very low	72 Å²	72	115.1 Å²	115.1	32%	0.316	62%	0.615	S	S	.	*			trans	-126.5	135.4	-174.2	-64.5	-87.9	0	0	0	110.9	L47 Y57	L47-F49 HydrophobicContact CB-CD2 4.21Å; L47-F49 HydrophobicContact CB-CE2 3.58Å; L47-F49 HydrophobicContact CB-CZ 4.07Å; L47-F49 HydrophobicContact CD1-CE2 3.66Å; L47-F49 HydrophobicContact CD1-CZ 3.51Å; L47-F49 HydrophobicContact CD2-CD1 4.42Å; L47-F49 HydrophobicContact CD2-CD2 4.41Å; L47-F49 HydrophobicContact CD2-CE1 3.63Å; L47-F49 HydrophobicContact CD2-CE2 3.63Å; L47-F49 HydrophobicContact CD2-CZ 3.18Å; L47-F49 HydrophobicContact CG-CE2 3.78Å; L47-F49 HydrophobicContact CG-CZ 3.73Å; F49-Y57 HydrophobicContact CB-CE1 4.32Å; F49-Y57 HydrophobicContact CD1-CD1 4.22Å; F49-Y57 AromaticContact CD1-CE1 3.99Å; F49-Y57 HydrophobicContact CD1-CE1 3.99Å; F49-Y57 AromaticContact CD2-CD1 3.91Å; F49-Y57 HydrophobicContact CD2-CD1 3.91Å; F49-Y57 HydrophobicContact CD2-CE1 4.41Å; F49-Y57 HydrophobicContact CD2-CG 4.17Å; F49-Y57 HydrophobicContact CE1-CD1 4.3Å; F49-Y57 HydrophobicContact CE1-CE1 4.3Å; F49-Y57 AromaticContact CE2-CD1 3.97Å; F49-Y57 HydrophobicContact CE2-CD1 3.97Å; F49-Y57 HydrophobicContact CE2-CG 4.44Å; F49-Y57 HydrophobicContact CG-CD1 4.01Å; F49-Y57 HydrophobicContact CG-CE1 4.03Å; F49-Y57 HydrophobicContact CG-CG 4.49Å; F49-Y57 HydrophobicContact CZ-CD1 4.15Å
50	I	21.3	Very low	23.8	Very low	88 Å²	88	109.9 Å²	109.9	45%	0.451	60%	0.6	S	S	.	*			trans	-134.5	131.1	146.8	-62.9	-171.7	0	0	0	109.3	D36 D37 I38	D36-I50 VanDerWaalsContact O-CD1 3.25Å; D36-I50 WeakPolarHBondContact O-CD1 3.28Å; D37-I50 HydrophobicContact CB-CD1 4.39Å; I38-I50 HydrophobicContact CG1-CD1 4.36Å
51	G	21.8	Very low	24	Very low	45 Å²	45	106 Å²	106	46%	0.464	58%	0.576	S	S	.	*			trans	-159.9	120.4	161.1	0	0	0	0	0	107.7	K53	G51-K53 PolarHBondContact O-N 2.87Å
52	D	27.9	Very low	24.2	Very low	155 Å²	155	106.2 Å²	106.2	83%	0.829	57%	0.573	S	S	*	*	S	Bend	trans	-45.4	128.6	-179.7	-77.5	-39.7	0	0	0	112.2
53	K	23.6	Very low	24.4	Very low	187 Å²	187	110.9 Å²	110.9	81%	0.813	57%	0.568	S	S	*	*	S	Bend	trans	111.5	102.6	168.9	-61.5	161.7	-175	178.4	0	114.2	G51 A55	G51-K53 PolarHBondContact O-N 2.87Å; K53-A55 PolarHBondContact O-N 3.33Å; K53-A55 VanDerWaalsContact O-N 3.14Å
54	K	24.9	Very low	24.7	Very low	225 Å²	225	107.8 Å²	107.8	98%	0.978	55%	0.552	S	S	*	*			trans	22.5	76	152	-64.7	-172.4	178.7	-175.7	0	115.1
55	A	24.5	Very low	25.1	Very low	53 Å²	53	111.5 Å²	111.5	44%	0.438	56%	0.557	S	S	.	*			trans	-129.6	131.5	168	0	0	0	0	0	110.6	K53 Y57	K53-A55 PolarHBondContact O-N 3.33Å; K53-A55 VanDerWaalsContact O-N 3.14Å; A55-Y57 HydrophobicContact CB-CD2 4.5Å; A55-Y57 HydrophobicContact CB-CE1 4.11Å; A55-Y57 HydrophobicContact CB-CE2 3.82Å; A55-Y57 WeakPolarHBondContact O-CD2 3.41Å; A55-Y57 VanDerWaalsContact O-CE2 3.24Å; A55-Y57 WeakPolarHBondContact O-CE2 3.45Å
56	E	25.6	Very low	25.7	Very low	162 Å²	162	105.6 Å²	105.6	76%	0.757	53%	0.529	S	S	*	.			trans	-82	108.6	174.1	-169.4	-175.1	-144.9	0	0	107.9
57	Y	28.4	Very low	26.1	Very low	80 Å²	80	104.4 Å²	104.4	31%	0.314	52%	0.519	S	S	.	.			trans	-93.7	117.6	-176.4	-62	-82.1	0	0	0	111	W32 F49 A55	W32-Y57 HydrophobicContact CZ2-CD2 4.39Å; F49-Y57 HydrophobicContact CB-CE1 4.32Å; F49-Y57 HydrophobicContact CD1-CD1 4.22Å; F49-Y57 AromaticContact CD1-CE1 3.99Å; F49-Y57 HydrophobicContact CD1-CE1 3.99Å; F49-Y57 AromaticContact CD2-CD1 3.91Å; F49-Y57 HydrophobicContact CD2-CD1 3.91Å; F49-Y57 HydrophobicContact CD2-CE1 4.41Å; F49-Y57 HydrophobicContact CD2-CG 4.17Å; F49-Y57 HydrophobicContact CE1-CD1 4.3Å; F49-Y57 HydrophobicContact CE1-CE1 4.3Å; F49-Y57 AromaticContact CE2-CD1 3.97Å; F49-Y57 HydrophobicContact CE2-CD1 3.97Å; F49-Y57 HydrophobicContact CE2-CG 4.44Å; F49-Y57 HydrophobicContact CG-CD1 4.01Å; F49-Y57 HydrophobicContact CG-CE1 4.03Å; F49-Y57 HydrophobicContact CG-CG 4.49Å; F49-Y57 HydrophobicContact CZ-CD1 4.15Å; A55-Y57 HydrophobicContact CB-CD2 4.5Å; A55-Y57 HydrophobicContact CB-CE1 4.11Å; A55-Y57 HydrophobicContact CB-CE2 3.82Å; A55-Y57 WeakPolarHBondContact O-CD2 3.41Å; A55-Y57 VanDerWaalsContact O-CE2 3.24Å; A55-Y57 WeakPolarHBondContact O-CE2 3.45Å
58	K	25.9	Very low	26.4	Very low	152 Å²	152	103.9 Å²	103.9	66%	0.661	52%	0.522	S	S	*	.			trans	-98.9	115.4	174.8	-66.6	176.8	-177.1	172.6	0	109.5
59	A	26.9	Very low	26.7	Very low	32 Å²	32	108.6 Å²	108.6	26%	0.264	54%	0.542	S	S	.	.			trans	-89.5	113.1	166.9	0	0	0	0	0	108.7	A61	A59-A61 PolarHBondContact O-N 3.48Å
60	L	25.7	Very low	27.1	Very low	100 Å²	100	109.1 Å²	109.1	52%	0.524	55%	0.546	S	S	.	.			trans	-68.3	110.9	168.5	-90.7	143.4	0	0	0	107.9	R27 E62	R27-L60 HydrophobicContact CG-CD2 3.95Å; L60-E62 PolarHBondContact O-N 3.25Å
61	A	29.1	Very low	27.5	Very low	31 Å²	31	108.9 Å²	108.9	26%	0.256	55%	0.551	S	S	.	*			trans	-58.8	121.5	157.2	0	0	0	0	0	106.8	A59 L74	A59-A61 PolarHBondContact O-N 3.48Å; A61-L74 HydrophobicContact CB-CD1 4.38Å
62	E	26.9	Very low	28.1	Very low	146 Å²	146	109.6 Å²	109.6	68%	0.682	55%	0.552	S	S	*	*			trans	-58.7	147.2	-179.8	-158.7	169.2	-161.4	0	0	109.5	L60 S64	L60-E62 PolarHBondContact O-N 3.25Å; E62-S64 PolarHBondContact O-N 3.13Å
63	R	26.7	Very low	28.1	Very low	168 Å²	168	112.4 Å²	112.4	63%	0.634	55%	0.553	S	S	*	*			trans	-54.5	91.2	-173.5	-73.1	176.9	173.7	175.3	-3.1	111.5
64	S	29.4	Very low	28.6	Very low	52 Å²	52	107.4 Å²	107.4	36%	0.364	53%	0.534	S	S	.	.			trans	-83.8	110.2	163	58.8	0	0	0	0	107.6	E62 M66	E62-S64 PolarHBondContact O-N 3.13Å; S64-M66 PolarHBondContact O-N 3.01Å
65	Y	32.6	Very low	28.8	Very low	144 Å²	144	104 Å²	104	57%	0.565	53%	0.526	S	S	*	.			trans	-68.9	98.5	167.5	-61.5	-81.6	0	0	0	107.3	V23	V23-Y65 HydrophobicContact CG1-CD1 3.83Å; V23-Y65 HydrophobicContact CG1-CE1 4.12Å
66	M	31.6	Very low	29.2	Very low	34 Å²	34	104.1 Å²	104.1	17%	0.167	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-83.8	129.5	173.8	-70.8	-178.4	62.8	0	0	109.7	I26 S64 E70 C71 A72	I26-M66 HydrophobicContact CD1-CG 4.2Å; I26-M66 HydrophobicContact CD1-SD 3.23Å; I26-M66 WeakPolarHBondContact CD1-SD 3.3Å; S64-M66 PolarHBondContact O-N 3.01Å; M66-E70 VanDerWaalsContact CA-OE2 3.26Å; M66-E70 WeakPolarHBondContact CA-OE2 3.26Å; M66-E70 HydrophobicContact CB-CB 4.2Å; M66-E70 HydrophobicContact CE-CB 3.81Å; M66-E70 WeakPolarHBondContact CE-O 2.82Å; M66-E70 HydrophobicContact CG-CB 4.46Å; M66-C71 VanDerWaalsContact CE-C 3.47Å; M66-A72 HydrophobicContact CE-CB 4.09Å; M66-A72 HydrophobicContact SD-CB 3.38Å; M66-A72 WeakPolarHBondContact SD-CB 3.48Å
67	K	31	Very low	29.4	Very low	98 Å²	98	101.8 Å²	101.8	43%	0.426	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-62.9	156.5	164.1	-65.8	-179.8	178.8	178.6	0	109.6	N69 E70 I301	K67-N69 PolarHBondContact O-N 2.94Å; K67-E70 HydrophobicContact CB-CG 3.93Å; K67-E70 WeakPolarHBondContact CD-OE1 3.38Å; K67-E70 WeakPolarHBondContact CG-OE1 3.23Å; K67-E70 PolarHBondContact N-OE2 3.38Å; K67-E70 PolarHBondContact O-N 2.79Å; K67-E70 VanDerWaalsContact O-N 3.08Å; K67-I301 PolarHBondContact NZ-O 3.38Å
68	P	27.9	Very low	29.3	Very low	95 Å²	95	100.1 Å²	100.1	62%	0.617	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	129.2	165.5	-23.6	33.7	0	0	0	110.3
69	N	27.3	Very low	29.5	Very low	162 Å²	162	96.9 Å²	96.9	87%	0.866	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	7.7	-177	-46.9	-44.1	0	0	0	117.4	K67	K67-N69 PolarHBondContact O-N 2.94Å
70	E	29.6	Very low	29.7	Very low	83 Å²	83	96 Å²	96	39%	0.388	51%	0.509	S	S	.	.			trans	-70.8	160.3	165	-82.4	176.4	179.9	0	0	111.3	M66 K67	M66-E70 VanDerWaalsContact CA-OE2 3.26Å; M66-E70 WeakPolarHBondContact CA-OE2 3.26Å; M66-E70 HydrophobicContact CB-CB 4.2Å; M66-E70 HydrophobicContact CE-CB 3.81Å; M66-E70 WeakPolarHBondContact CE-O 2.82Å; M66-E70 HydrophobicContact CG-CB 4.46Å; K67-E70 HydrophobicContact CB-CG 3.93Å; K67-E70 WeakPolarHBondContact CD-OE1 3.38Å; K67-E70 WeakPolarHBondContact CG-OE1 3.23Å; K67-E70 PolarHBondContact N-OE2 3.38Å; K67-E70 PolarHBondContact O-N 2.79Å; K67-E70 VanDerWaalsContact O-N 3.08Å
71	C	30	Very low	30	Very low	83 Å²	83	95.9 Å²	95.9	56%	0.561	51%	0.514	S	S	*	.			trans	-115.9	128	172	-68.1	0	0	0	0	109.2	M66	M66-C71 VanDerWaalsContact CE-C 3.47Å
72	A	33.6	Very low	30.2	Very low	60 Å²	60	97 Å²	97	50%	0.496	52%	0.52	S	S	.	.			trans	-92.1	129.3	168	0	0	0	0	0	109.4	M66	M66-A72 HydrophobicContact CE-CB 4.09Å; M66-A72 HydrophobicContact SD-CB 3.38Å; M66-A72 WeakPolarHBondContact SD-CB 3.48Å
73	Y	29.9	Very low	30.7	Very low	213 Å²	213	90.8 Å²	90.8	84%	0.835	50%	0.495	S	S	*	.			trans	-92.3	114.8	170.7	-63.3	-87.7	0	0	0	108.4
74	L	32.6	Very low	31.3	Very low	82 Å²	82	90.9 Å²	90.9	43%	0.429	50%	0.503	S	S	.	.			trans	-90.7	103.5	171.7	-145.1	120.5	0	0	0	107.6	A61 V76 L89	A61-L74 HydrophobicContact CB-CD1 4.38Å; L74-V76 HydrophobicContact CD2-CG2 4.07Å; L74-V76 PolarHBondContact O-N 2.67Å; L74-L89 HydrophobicContact CD1-CD1 4.23Å
75	L	30.4	Very low	31.8	Very low	154 Å²	154	89.5 Å²	89.5	81%	0.806	49%	0.493	S	S	*	.			trans	-83.6	115.7	179	-151.8	96.9	0	0	0	109.2
76	V	32.1	Very low	32	Very low	56 Å²	56	88.1 Å²	88.1	34%	0.339	49%	0.487	S	S	.	.			trans	-104.3	105.9	178.1	-176.2	0	0	0	0	108.6	L30 L74 L87	L30-V76 HydrophobicContact CD1-CG1 3.93Å; L30-V76 HydrophobicContact CD1-CG2 4.12Å; L30-V76 HydrophobicContact CD2-CG1 4.29Å; L30-V76 HydrophobicContact CD2-CG2 3.88Å; L74-V76 HydrophobicContact CD2-CG2 4.07Å; L74-V76 PolarHBondContact O-N 2.67Å; V76-L87 HydrophobicContact CG2-CD1 3.69Å
77	C	29.8	Very low	32.3	Very low	112 Å²	112	88.4 Å²	88.4	76%	0.757	49%	0.489	S	S	*	.			trans	-92.3	121.3	170.9	-64.1	0	0	0	0	108.6
78	S	26.7	Very low	32.5	Very low	46 Å²	46	88 Å²	88	32%	0.322	48%	0.484	S	S	.	.			trans	-106.1	124.8	166.5	175.5	0	0	0	0	108	L80	S78-L80 PolarHBondContact O-N 3.07Å; S78-L80 WeakPolarHBondContact OG-CB 3.31Å; S78-L80 PolarHBondContact OG-N 2.91Å
79	S	29.9	Very low	32.9	Very low	83 Å²	83	85.5 Å²	85.5	58%	0.58	47%	0.465	S	S	*	.			trans	-88	26.2	171.9	43.4	0	0	0	0	112.6	I38	I38-S79 WeakPolarHBondContact CG2-OG 3.25Å
80	L	31.1	Very low	33	Very low	15 Å²	15	81.6 Å²	81.6	8%	0.079	44%	0.441	C	S	.	.	S	Bend	trans	-102	151.9	-176.5	-75.8	163.1	0	0	0	115.7	D36 D37 I38 S78 S82	D36-L80 VanDerWaalsContact C-CD2 3.47Å; D36-L80 HydrophobicContact CB-CD1 3.41Å; D36-L80 VanDerWaalsContact CB-CD1 3.41Å; D36-L80 HydrophobicContact CB-CD2 4.38Å; D37-L80 VanDerWaalsContact N-CD2 3.28Å; D37-L80 WeakPolarHBondContact O-CD2 3.33Å; I38-L80 HydrophobicContact CB-CD2 4.45Å; I38-L80 HydrophobicContact CB-CG 4.41Å; I38-L80 HydrophobicContact CD1-CD1 3.35Å; I38-L80 HydrophobicContact CD1-CD2 4.47Å; I38-L80 HydrophobicContact CD1-CG 3.77Å; I38-L80 HydrophobicContact CG1-CD1 3.48Å; I38-L80 VanDerWaalsContact CG1-CD1 3.48Å; I38-L80 HydrophobicContact CG1-CD2 3.7Å; I38-L80 HydrophobicContact CG1-CG 3.5Å; S78-L80 PolarHBondContact O-N 3.07Å; S78-L80 WeakPolarHBondContact OG-CB 3.31Å; S78-L80 PolarHBondContact OG-N 2.91Å; L80-S82 PolarHBondContact O-N 3.17Å
81	P	32.1	Very low	33.2	Very low	97 Å²	97	79.6 Å²	79.6	63%	0.63	43%	0.433	S	S	*	.	S	Bend	trans	-77.1	102.2	167.3	31.7	-28.7	0	0	0	110.9
82	S	32.9	Very low	33.3	Very low	55 Å²	55	77.7 Å²	77.7	39%	0.385	42%	0.416	S	S	.	.	S	Bend	trans	56.1	98.6	149.7	61.3	0	0	0	0	118.8	L80	L80-S82 PolarHBondContact O-N 3.17Å
83	G	38	Very low	33.2	Very low	15 Å²	15	75.7 Å²	75.7	16%	0.155	40%	0.399	C	S	.	.			trans	-156.1	162.4	171.2	0	0	0	0	0	113.3	C85 V130	G83-C85 PolarHBondContact O-N 2.86Å; G83-V130 PolarHBondContact O-N 3.21Å
84	Q	38.4	Very low	33.3	Very low	170 Å²	170	67.7 Å²	67.7	79%	0.794	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.9	165.9	-77.5	-170.3	-12.1	0	0	108.7
85	C	39.3	Very low	33.3	Very low	23 Å²	23	66.3 Å²	66.3	16%	0.155	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.3	175.4	-59.2	0	0	0	0	110.2	G83 D127 F128	G83-C85 PolarHBondContact O-N 2.86Å; C85-D127 WeakPolarHBondContact O-CA 3.42Å; C85-F128 HydrophobicContact CB-CD1 4.31Å; C85-F128 HydrophobicContact CB-CE1 3.8Å; C85-F128 HydrophobicContact CB-CE2 4.1Å; C85-F128 HydrophobicContact CB-CZ 3.69Å; C85-F128 PolarHBondContact N-O 2.73Å; C85-F128 PolarHBondContact O-N 2.73Å
86	R	37.4	Very low	33.5	Very low	115 Å²	115	60.7 Å²	60.7	43%	0.434	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.5	173.1	176.2	169.1	-77.6	171.4	-1.3	110.4	V31 R88 M125 A126 D127	V31-R86 VanDerWaalsContact O-O 3.07Å; R86-R88 HydrophobicContact CG-CG 4.49Å; R86-M125 HydrophobicContact CG-CG 3.96Å; R86-M125 HydrophobicContact CG-SD 4.3Å; R86-A126 CarbonylContact C-O 3.34Å; R86-D127 VanDerWaalsContact CB-OD1 3.26Å; R86-D127 WeakPolarHBondContact CB-OD1 3.47Å; R86-D127 WeakPolarHBondContact CG-OD1 3.45Å; R86-D127 IonicContact CZ-OD1 3.62Å; R86-D127 IonicContact CZ-OD2 3.59Å; R86-D127 IonicContact NE-OD1 3.58Å; R86-D127 PolarHBondContact NE-OD1 3.26Å; R86-D127 IonicContact NE-OD2 2.65Å; R86-D127 IonicContact NH2-OD1 2.79Å; R86-D127 PolarHBondContact NH2-OD1 3.36Å; R86-D127 IonicContact NH2-OD2 3.4Å; R86-D127 PolarHBondContact NH2-OD2 2.82Å
87	L	39	Very low	33.8	Very low	39 Å²	39	62.9 Å²	62.9	20%	0.204	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.4	171	-158.2	99.7	0	0	0	110.2	L30 V76 M125 A126 F128	L30-L87 HydrophobicContact CD2-CD1 3.13Å; L30-L87 HydrophobicContact CD2-CG 3.97Å; V76-L87 HydrophobicContact CG2-CD1 3.69Å; L87-M125 CarbonylContact O-C 3.48Å; L87-M125 VanDerWaalsContact O-CA 3.3Å; L87-M125 WeakPolarHBondContact O-CA 3.48Å; L87-A126 HydrophobicContact CB-CB 4.41Å; L87-A126 PolarHBondContact N-O 3.04Å; L87-A126 PolarHBondContact O-N 3.41Å; L87-F128 HydrophobicContact CB-CD1 4.41Å; L87-F128 HydrophobicContact CB-CE1 4.06Å; L87-F128 HydrophobicContact CD1-CE1 4.13Å
88	R	33.6	Very low	34	Very low	90 Å²	90	61.1 Å²	61.1	34%	0.34	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.9	167.1	-70.8	180	178.5	147.7	-0.5	109.5	R86 F90 L122 M125	R86-R88 HydrophobicContact CG-CG 4.49Å; R88-F90 HydrophobicContact CB-CD2 4.22Å; R88-F90 HydrophobicContact CB-CE2 3.67Å; R88-F90 HydrophobicContact CB-CZ 4.38Å; R88-F90 PolarHBondContact O-N 2.85Å; R88-L122 HydrophobicContact CB-CD1 4.05Å; R88-L122 HydrophobicContact CG-CD1 4.48Å; R88-M125 HydrophobicContact CG-CG 4.13Å
89	L	36.6	Very low	34.2	Very low	42 Å²	42	64 Å²	64	22%	0.22	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	103	174.2	-174.2	68.8	0	0	0	109.3	L74 L123 A124	L74-L89 HydrophobicContact CD1-CD1 4.23Å; L89-L123 PolarHBondContact O-N 2.87Å; L89-A124 HydrophobicContact CB-CB 4.39Å; L89-A124 PolarHBondContact N-O 2.76Å; L89-A124 PolarHBondContact O-N 3.1Å
90	F	31.1	Very low	34.4	Very low	81 Å²	81	67.6 Å²	67.6	36%	0.355	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	149.9	162.1	-65	-86.2	0	0	0	109.2	R27 G28 R88 L122	R27-F90 CarbonylContact C-O 3.57Å; R27-F90 CarbonylContact O-C 3.53Å; G28-F90 WeakPolarHBondContact CA-O 3.4Å; R88-F90 HydrophobicContact CB-CD2 4.22Å; R88-F90 HydrophobicContact CB-CE2 3.67Å; R88-F90 HydrophobicContact CB-CZ 4.38Å; R88-F90 PolarHBondContact O-N 2.85Å; F90-L122 HydrophobicContact CD1-CB 4.12Å; F90-L122 HydrophobicContact CD1-CD1 4.04Å; F90-L122 HydrophobicContact CD2-CD1 4.41Å; F90-L122 HydrophobicContact CE1-CB 3.96Å; F90-L122 HydrophobicContact CE1-CD1 3.78Å; F90-L122 HydrophobicContact CE1-CG 4.41Å; F90-L122 HydrophobicContact CE2-CD1 4.17Å; F90-L122 HydrophobicContact CG-CD1 4.36Å; F90-L122 HydrophobicContact CZ-CD1 3.85Å
91	L	32.5	Very low	34.4	Very low	41 Å²	41	70.2 Å²	70.2	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.5	169.8	-173.4	136.3	0	0	0	109.1	I26 A93 N120 G121 L123	I26-L91 HydrophobicContact CB-CD1 4.19Å; I26-L91 HydrophobicContact CD1-CD1 3.98Å; I26-L91 HydrophobicContact CG1-CD1 3.87Å; I26-L91 HydrophobicContact CG2-CD1 3.59Å; I26-L91 HydrophobicContact CG2-CG 4.18Å; L91-A93 HydrophobicContact CD2-CB 3.81Å; L91-N120 WeakPolarHBondContact O-CA 3.46Å; L91-G121 PolarHBondContact N-O 3.32Å; L91-G121 PolarHBondContact O-N 3.49Å; L91-L123 HydrophobicContact CB-CD1 3.22Å; L91-L123 HydrophobicContact CB-CD2 4.48Å; L91-L123 HydrophobicContact CB-CG 3.59Å; L91-L123 HydrophobicContact CD1-CD1 3.39Å; L91-L123 HydrophobicContact CD2-CD1 4.2Å; L91-L123 HydrophobicContact CG-CD1 3.75Å
92	Q	31.5	Very low	34.4	Very low	43 Å²	43	71.5 Å²	71.5	20%	0.201	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	96.4	170.3	170.6	164.5	54.9	0	0	108.4	E25 R27 W119 N120	E25-Q92 CarbonylContact C-O 3.55Å; E25-Q92 CarbonylContact O-C 3.47Å; R27-Q92 HydrophobicContact CB-CB 4.34Å; R27-Q92 VanDerWaalsContact CD-OE1 3.29Å; R27-Q92 HydrophobicContact CG-CB 4.47Å; Q92-W119 CarbonylContact C-O 3.46Å; Q92-W119 VanDerWaalsContact CA-O 3.26Å; Q92-W119 WeakPolarHBondContact CA-O 3.49Å; Q92-N120 VanDerWaalsContact CB-OD1 3.28Å; Q92-N120 WeakPolarHBondContact CB-OD1 3.2Å; Q92-N120 WeakPolarHBondContact CG-OD1 3.26Å; Q92-N120 PolarHBondContact NE2-OD1 3.12Å
93	A	32.2	Very low	34.1	Very low	17 Å²	17	71.2 Å²	71.2	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	144.7	170.3	0	0	0	0	0	109.8	E25 L91 S118 W119	E25-A93 WeakPolarHBondContact O-CA 3.42Å; L91-A93 HydrophobicContact CD2-CB 3.81Å; A93-S118 CarbonylContact O-C 3.54Å; A93-S118 WeakPolarHBondContact O-CA 3.32Å; A93-W119 PolarHBondContact N-O 3.25Å; A93-W119 PolarHBondContact O-N 3.21Å
94	K	33	Very low	33.7	Very low	46 Å²	46	75.2 Å²	75.2	20%	0.2	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.8	168.1	-65	-175.1	-173.4	145.2	0	109.2	E25 W116 T117	E25-K94 VanDerWaalsContact OE2-CD 3.31Å; E25-K94 WeakPolarHBondContact OE2-CD 3.49Å; E25-K94 VanDerWaalsContact OE2-CE 3.25Å; E25-K94 WeakPolarHBondContact OE2-CE 3.04Å; E25-K94 IonicContact OE2-NZ 3.16Å; E25-K94 PolarHBondContact OE2-NZ 2.95Å; K94-W116 HydrophobicContact CB-CB 4.21Å; K94-W116 HydrophobicContact CB-CD2 4.22Å; K94-W116 HydrophobicContact CB-CE3 3.45Å; K94-W116 VanDerWaalsContact CB-CE3 3.45Å; K94-W116 HydrophobicContact CB-CZ3 4.15Å; K94-W116 HydrophobicContact CD-CB 4.07Å; K94-W116 HydrophobicContact CD-CD2 4.47Å; K94-W116 HydrophobicContact CD-CE3 4.39Å; K94-W116 HydrophobicContact CD-CG 4.39Å; K94-T117 WeakPolarHBondContact CA-O 3.44Å
95	C	32.4	Very low	33.1	Very low	52 Å²	52	73.3 Å²	73.3	35%	0.351	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.8	175.8	-61.1	0	0	0	0	109.1	T117	C95-T117 PolarHBondContact N-O 3.08Å; C95-T117 PolarHBondContact O-N 3.21Å
96	S	34.1	Very low	32.4	Very low	37 Å²	37	78.1 Å²	78.1	26%	0.259	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.7	166.7	-175.8	0	0	0	0	109.4	N98 D115	S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact OG-N 2.82Å; S96-D115 PolarHBondContact OG-O 2.92Å
97	S	37.4	Very low	32	Very low	102 Å²	102	75.8 Å²	75.8	71%	0.713	42%	0.424	S	S	*	.			trans	-79	-2.5	171.7	54.2	0	0	0	0	113.2	T99	S97-T99 PolarHBondContact O-N 2.99Å; S97-T99 VanDerWaalsContact O-N 3.17Å
98	N	34	Very low	31.5	Very low	75 Å²	75	75.9 Å²	75.9	40%	0.401	43%	0.427	S	S	.	.			trans	-83.5	93.3	-178.2	-161.4	-12.2	0	0	0	110.9	S96 H100	S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact OG-N 2.82Å; N98-H100 PolarHBondContact O-N 3.44Å
99	T	32.8	Very low	31.3	Very low	107 Å²	107	76.5 Å²	76.5	66%	0.656	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-1.2	-176.5	51.4	0	0	0	0	114.5	S97 L101	S97-T99 PolarHBondContact O-N 2.99Å; S97-T99 VanDerWaalsContact O-N 3.17Å; T99-L101 VanDerWaalsContact C-N 3.26Å; T99-L101 PolarHBondContact O-N 2.82Å
100	H	33.4	Very low	31	Very low	158 Å²	158	81.8 Å²	81.8	73%	0.731	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	12.4	-176	-71.4	-63.4	0	0	0	115	N98 S102	N98-H100 PolarHBondContact O-N 3.44Å; H100-S102 VanDerWaalsContact C-N 3.31Å; H100-S102 PolarHBondContact O-N 3.09Å
101	L	31.1	Very low	31	Very low	69 Å²	69	79.5 Å²	79.5	36%	0.361	46%	0.46	S	S	.	.			trans	-78	81	175.4	-68.7	162.9	0	0	0	110.3	T99 F107 L111	T99-L101 VanDerWaalsContact C-N 3.26Å; T99-L101 PolarHBondContact O-N 2.82Å; L101-F107 HydrophobicContact CB-CE2 3.65Å; L101-F107 HydrophobicContact CB-CZ 4.13Å; L101-F107 HydrophobicContact CD1-CE1 4.25Å; L101-F107 HydrophobicContact CD1-CE2 3.67Å; L101-F107 HydrophobicContact CD1-CZ 3.31Å; L101-F107 HydrophobicContact CD2-CD2 4.18Å; L101-F107 HydrophobicContact CD2-CE2 3.68Å; L101-F107 HydrophobicContact CD2-CZ 4.11Å; L101-F107 HydrophobicContact CG-CE2 3.83Å; L101-F107 HydrophobicContact CG-CZ 4.02Å; L101-L111 HydrophobicContact CD1-CD1 4Å
102	S	32.4	Very low	31.1	Very low	125 Å²	125	86.1 Å²	86.1	87%	0.874	48%	0.482	S	S	*	.			trans	-83.1	0.5	-175.9	52.6	0	0	0	0	115.2	H100	H100-S102 VanDerWaalsContact C-N 3.31Å; H100-S102 PolarHBondContact O-N 3.09Å
103	S	26.6	Very low	31.3	Very low	48 Å²	48	89.4 Å²	89.4	34%	0.336	51%	0.507	S	S	.	.			trans	-142	134.8	172.3	68.1	0	0	0	0	111.4	V105	S103-V105 PolarHBondContact O-N 3.08Å
104	V	28.6	Very low	31.7	Very low	100 Å²	100	95.3 Å²	95.3	61%	0.606	54%	0.536	S	S	*	.	S	Bend	trans	-71.6	-11.5	176.2	175.6	0	0	0	0	111.3	K21	K21-V104 HydrophobicContact CD-CG2 4.2Å; K21-V104 VanDerWaalsContact NZ-CG2 3.31Å
105	V	26.1	Very low	31.7	Very low	130 Å²	130	96.9 Å²	96.9	79%	0.788	55%	0.547	S	S	*	.	S	Bend	trans	-92	-26.2	-166.6	-168.8	0	0	0	0	113	S103	S103-V105 PolarHBondContact O-N 3.08Å
106	D	25.6	Very low	31.8	Very low	123 Å²	123	97.6 Å²	97.6	66%	0.658	54%	0.542	S	S	*	.	S	Bend	trans	-105.9	58.5	179.6	-65.4	-40.3	0	0	0	111.4
107	F	28.6	Very low	31.7	Very low	67 Å²	67	100 Å²	100	29%	0.294	56%	0.556	S	S	.	*			trans	-107.9	123.1	-163.8	-133.1	-102.6	0	0	0	116.2	V23 L101	V23-F107 HydrophobicContact CG2-CE1 4.27Å; V23-F107 HydrophobicContact CG2-CZ 4.29Å; L101-F107 HydrophobicContact CB-CE2 3.65Å; L101-F107 HydrophobicContact CB-CZ 4.13Å; L101-F107 HydrophobicContact CD1-CE1 4.25Å; L101-F107 HydrophobicContact CD1-CE2 3.67Å; L101-F107 HydrophobicContact CD1-CZ 3.31Å; L101-F107 HydrophobicContact CD2-CD2 4.18Å; L101-F107 HydrophobicContact CD2-CE2 3.68Å; L101-F107 HydrophobicContact CD2-CZ 4.11Å; L101-F107 HydrophobicContact CG-CE2 3.83Å; L101-F107 HydrophobicContact CG-CZ 4.02Å
108	C	28.9	Very low	31.5	Very low	41 Å²	41	98 Å²	98	28%	0.277	54%	0.541	S	S	.	.	S	Bend	trans	84.1	17.3	149.1	-85.9	0	0	0	0	122.3	L111	C108-L111 VanDerWaalsContact SG-CD1 3.54Å
109	S	29.3	Very low	31.2	Very low	102 Å²	102	103.7 Å²	103.7	71%	0.713	56%	0.557	S	S	*	*	S	Bend	trans	-82.3	-17.5	161	61.6	0	0	0	0	113.3
110	H	28.8	Very low	31.2	Very low	154 Å²	154	103.5 Å²	103.5	71%	0.713	55%	0.552	S	S	*	*	S	Bend	trans	-99	-12.2	-172.1	-42.4	-53.4	0	0	0	115.1	R112	H110-R112 PolarHBondContact O-N 3.44Å
111	L	32.5	Very low	30.9	Very low	33 Å²	33	97.7 Å²	97.7	17%	0.173	54%	0.535	C	S	.	.			trans	-84.2	117.5	-177.8	-64.8	-178.9	0	0	0	109.6	L101 C108 W116	L101-L111 HydrophobicContact CD1-CD1 4Å; C108-L111 VanDerWaalsContact SG-CD1 3.54Å; L111-W116 HydrophobicContact CB-CZ2 4.48Å; L111-W116 HydrophobicContact CD1-CZ2 4.01Å
112	R	33.9	Very low	30.9	Very low	180 Å²	180	98.9 Å²	98.9	68%	0.679	54%	0.541	S	S	*	.			trans	-65.9	144.4	178.1	-67	-177.2	178.4	-174	0.5	109.1	H110 D114 D115 W116	H110-R112 PolarHBondContact O-N 3.44Å; R112-D114 PolarHBondContact O-N 2.8Å; R112-D115 PolarHBondContact O-N 3.46Å; R112-D115 VanDerWaalsContact O-N 3.13Å; R112-W116 VanDerWaalsContact O-CD1 3.31Å
113	P	36.2	Very low	30.9	Very low	111 Å²	111	97.7 Å²	97.7	72%	0.721	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-51.6	-27.5	176.2	-27.4	34.7	0	0	0	114.1	D115	P113-D115 VanDerWaalsContact C-N 3.32Å; P113-D115 PolarHBondContact O-N 3.37Å
114	D	39	Very low	31.2	Very low	142 Å²	142	97 Å²	97	76%	0.759	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-73.7	-17.7	-176.1	-52.5	-30.6	0	0	0	114	R112 W116	R112-D114 PolarHBondContact O-N 2.8Å; D114-W116 PolarHBondContact O-N 3.44Å
115	D	34.5	Very low	31.3	Very low	78 Å²	78	97.1 Å²	97.1	42%	0.417	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-85.6	10	-178.3	-62.6	-41.8	0	0	0	113.4	S96 R112 P113	S96-D115 PolarHBondContact OG-O 2.92Å; R112-D115 PolarHBondContact O-N 3.46Å; R112-D115 VanDerWaalsContact O-N 3.13Å; P113-D115 VanDerWaalsContact C-N 3.32Å; P113-D115 PolarHBondContact O-N 3.37Å
116	W	34	Very low	31.8	Very low	68 Å²	68	93.1 Å²	93.1	26%	0.258	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.7	-175.8	-64.1	81.4	0	0	0	111	K94 L111 R112 D114	K94-W116 HydrophobicContact CB-CB 4.21Å; K94-W116 HydrophobicContact CB-CD2 4.22Å; K94-W116 HydrophobicContact CB-CE3 3.45Å; K94-W116 VanDerWaalsContact CB-CE3 3.45Å; K94-W116 HydrophobicContact CB-CZ3 4.15Å; K94-W116 HydrophobicContact CD-CB 4.07Å; K94-W116 HydrophobicContact CD-CD2 4.47Å; K94-W116 HydrophobicContact CD-CE3 4.39Å; K94-W116 HydrophobicContact CD-CG 4.39Å; L111-W116 HydrophobicContact CB-CZ2 4.48Å; L111-W116 HydrophobicContact CD1-CZ2 4.01Å; R112-W116 VanDerWaalsContact O-CD1 3.31Å; D114-W116 PolarHBondContact O-N 3.44Å
117	T	31.8	Very low	32.4	Very low	88 Å²	88	91.8 Å²	91.8	54%	0.54	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.9	168.4	-21.2	0	0	0	0	109	K94 C95	K94-T117 WeakPolarHBondContact CA-O 3.44Å; C95-T117 PolarHBondContact N-O 3.08Å; C95-T117 PolarHBondContact O-N 3.21Å
118	S	34.2	Very low	33	Very low	59 Å²	59	92.1 Å²	92.1	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.7	177.2	60.5	0	0	0	0	111.6	A93	A93-S118 CarbonylContact O-C 3.54Å; A93-S118 WeakPolarHBondContact O-CA 3.32Å
119	W	27.2	Very low	33.4	Very low	194 Å²	194	92.9 Å²	92.9	74%	0.735	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.5	163.1	-90.2	77.4	0	0	0	109.7	Q92 A93	Q92-W119 CarbonylContact C-O 3.46Å; Q92-W119 VanDerWaalsContact CA-O 3.26Å; Q92-W119 WeakPolarHBondContact CA-O 3.49Å; A93-W119 PolarHBondContact N-O 3.25Å; A93-W119 PolarHBondContact O-N 3.21Å
120	N	32.4	Very low	33.7	Very low	103 Å²	103	88.8 Å²	88.8	55%	0.551	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	175.6	-55	-53.4	0	0	0	109.1	L91 Q92	L91-N120 WeakPolarHBondContact O-CA 3.46Å; Q92-N120 VanDerWaalsContact CB-OD1 3.28Å; Q92-N120 WeakPolarHBondContact CB-OD1 3.2Å; Q92-N120 WeakPolarHBondContact CG-OD1 3.26Å; Q92-N120 PolarHBondContact NE2-OD1 3.12Å
121	G	27.4	Very low	33.7	Very low	36 Å²	36	88.6 Å²	88.6	37%	0.371	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	153	172.8	0	0	0	0	0	112.6	L91	L91-G121 PolarHBondContact N-O 3.32Å; L91-G121 PolarHBondContact O-N 3.49Å
122	L	30.6	Very low	33.6	Very low	94 Å²	94	91.4 Å²	91.4	49%	0.492	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.5	164.7	177.2	69.1	0	0	0	107.5	R88 F90	R88-L122 HydrophobicContact CB-CD1 4.05Å; R88-L122 HydrophobicContact CG-CD1 4.48Å; F90-L122 HydrophobicContact CD1-CB 4.12Å; F90-L122 HydrophobicContact CD1-CD1 4.04Å; F90-L122 HydrophobicContact CD2-CD1 4.41Å; F90-L122 HydrophobicContact CE1-CB 3.96Å; F90-L122 HydrophobicContact CE1-CD1 3.78Å; F90-L122 HydrophobicContact CE1-CG 4.41Å; F90-L122 HydrophobicContact CE2-CD1 4.17Å; F90-L122 HydrophobicContact CG-CD1 4.36Å; F90-L122 HydrophobicContact CZ-CD1 3.85Å
123	L	32.1	Very low	33.4	Very low	100 Å²	100	88.1 Å²	88.1	52%	0.524	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-39.2	-178.9	-70.5	-172	0	0	0	113	L89 L91	L89-L123 PolarHBondContact O-N 2.87Å; L91-L123 HydrophobicContact CB-CD1 3.22Å; L91-L123 HydrophobicContact CB-CD2 4.48Å; L91-L123 HydrophobicContact CB-CG 3.59Å; L91-L123 HydrophobicContact CD1-CD1 3.39Å; L91-L123 HydrophobicContact CD2-CD1 4.2Å; L91-L123 HydrophobicContact CG-CD1 3.75Å
124	A	33	Very low	32.7	Very low	34 Å²	34	88.7 Å²	88.7	28%	0.281	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151.6	-176.7	0	0	0	0	0	111.9	L89	L89-A124 HydrophobicContact CB-CB 4.39Å; L89-A124 PolarHBondContact N-O 2.76Å; L89-A124 PolarHBondContact O-N 3.1Å
125	M	31.8	Very low	31.9	Very low	103 Å²	103	87.6 Å²	87.6	51%	0.507	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.3	169.1	-176.2	176	70	0	0	107.8	R86 L87 R88	R86-M125 HydrophobicContact CG-CG 3.96Å; R86-M125 HydrophobicContact CG-SD 4.3Å; L87-M125 CarbonylContact O-C 3.48Å; L87-M125 VanDerWaalsContact O-CA 3.3Å; L87-M125 WeakPolarHBondContact O-CA 3.48Å; R88-M125 HydrophobicContact CG-CG 4.13Å
126	A	36.6	Very low	31.4	Very low	46 Å²	46	89.5 Å²	89.5	38%	0.38	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	127.6	179.4	0	0	0	0	0	110.2	R86 L87	R86-A126 CarbonylContact C-O 3.34Å; L87-A126 HydrophobicContact CB-CB 4.41Å; L87-A126 PolarHBondContact N-O 3.04Å; L87-A126 PolarHBondContact O-N 3.41Å
127	D	38.3	Very low	30.8	Very low	95 Å²	95	97.2 Å²	97.2	51%	0.508	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.9	171.1	-65.7	-30.8	0	0	0	108.4	C85 R86	C85-D127 WeakPolarHBondContact O-CA 3.42Å; R86-D127 VanDerWaalsContact CB-OD1 3.26Å; R86-D127 WeakPolarHBondContact CB-OD1 3.47Å; R86-D127 WeakPolarHBondContact CG-OD1 3.45Å; R86-D127 IonicContact CZ-OD1 3.62Å; R86-D127 IonicContact CZ-OD2 3.59Å; R86-D127 IonicContact NE-OD1 3.58Å; R86-D127 PolarHBondContact NE-OD1 3.26Å; R86-D127 IonicContact NE-OD2 2.65Å; R86-D127 IonicContact NH2-OD1 2.79Å; R86-D127 PolarHBondContact NH2-OD1 3.36Å; R86-D127 IonicContact NH2-OD2 3.4Å; R86-D127 PolarHBondContact NH2-OD2 2.82Å
128	F	40	Very low	30.6	Very low	74 Å²	74	100.7 Å²	100.7	33%	0.325	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.4	177.9	68.9	-83.3	0	0	0	112	C85 L87 V130	C85-F128 HydrophobicContact CB-CD1 4.31Å; C85-F128 HydrophobicContact CB-CE1 3.8Å; C85-F128 HydrophobicContact CB-CE2 4.1Å; C85-F128 HydrophobicContact CB-CZ 3.69Å; C85-F128 PolarHBondContact N-O 2.73Å; C85-F128 PolarHBondContact O-N 2.73Å; L87-F128 HydrophobicContact CB-CD1 4.41Å; L87-F128 HydrophobicContact CB-CE1 4.06Å; L87-F128 HydrophobicContact CD1-CE1 4.13Å; F128-V130 HydrophobicContact CD2-CG2 4.32Å; F128-V130 HydrophobicContact CE2-CG2 3.88Å
129	D	38.2	Very low	30.2	Very low	56 Å²	56	102.9 Å²	102.9	30%	0.299	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.9	174.3	-173.2	-12.6	0	0	0	109.2	R131 A132	D129-R131 PolarHBondContact O-N 3.37Å; D129-R131 VanDerWaalsContact O-N 3.1Å; D129-R131 VanDerWaalsContact OD1-CB 3.3Å; D129-R131 WeakPolarHBondContact OD1-CB 3.47Å; D129-R131 WeakPolarHBondContact OD1-CG 3.26Å; D129-R131 PolarHBondContact OD1-N 3.04Å; D129-R131 IonicContact OD1-NE 2.74Å; D129-R131 PolarHBondContact OD1-NE 3.23Å; D129-R131 IonicContact OD2-NE 3.04Å; D129-A132 PolarHBondContact O-N 2.92Å; D129-A132 VanDerWaalsContact O-N 3.11Å
130	V	34.3	Very low	30.4	Very low	16 Å²	16	101.1 Å²	101.1	10%	0.097	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-58.6	-24.7	-179.3	-177.4	0	0	0	0	111.6	G83 F128 A132 T133	G83-V130 PolarHBondContact O-N 3.21Å; F128-V130 HydrophobicContact CD2-CG2 4.32Å; F128-V130 HydrophobicContact CE2-CG2 3.88Å; V130-A132 VanDerWaalsContact C-N 3.28Å; V130-A132 PolarHBondContact O-N 3.38Å; V130-T133 PolarHBondContact O-N 3.5Å; V130-T133 PolarHBondContact O-OG1 2.96Å
131	R	29.7	Very low	30.2	Very low	151 Å²	151	104.5 Å²	104.5	57%	0.57	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-62.9	-30.5	177.3	-70.9	-178.9	-100.5	-156.3	-16.3	113.8	D129 T133	D129-R131 PolarHBondContact O-N 3.37Å; D129-R131 VanDerWaalsContact O-N 3.1Å; D129-R131 VanDerWaalsContact OD1-CB 3.3Å; D129-R131 WeakPolarHBondContact OD1-CB 3.47Å; D129-R131 WeakPolarHBondContact OD1-CG 3.26Å; D129-R131 PolarHBondContact OD1-N 3.04Å; D129-R131 IonicContact OD1-NE 2.74Å; D129-R131 PolarHBondContact OD1-NE 3.23Å; D129-R131 IonicContact OD2-NE 3.04Å; R131-T133 PolarHBondContact O-N 3.41Å
132	A	31	Very low	30.3	Very low	91 Å²	91	108 Å²	108	75%	0.752	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.5	-178.4	0	0	0	0	0	112.7	D129 V130	D129-A132 PolarHBondContact O-N 2.92Å; D129-A132 VanDerWaalsContact O-N 3.11Å; V130-A132 VanDerWaalsContact C-N 3.28Å; V130-A132 PolarHBondContact O-N 3.38Å
133	T	29	Very low	30.2	Very low	111 Å²	111	106.5 Å²	106.5	68%	0.681	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-104.4	-0.7	-177.2	10.5	0	0	0	0	114.1	V130 R131 D135	V130-T133 PolarHBondContact O-N 3.5Å; V130-T133 PolarHBondContact O-OG1 2.96Å; R131-T133 PolarHBondContact O-N 3.41Å; T133-D135 PolarHBondContact O-N 3.5Å
134	M	22.5	Very low	30.1	Very low	123 Å²	123	109.2 Å²	109.2	61%	0.606	55%	0.554	S	S	*	*			trans	-98	73.9	-174	-75.1	-167.8	87.4	0	0	114.9
135	D	22.4	Very low	30	Very low	120 Å²	120	112.4 Å²	112.4	64%	0.642	57%	0.567	S	S	*	*			trans	-130.5	47.7	163	-126.1	1.5	0	0	0	112.4	M1 T133	M1-D135 HydrophobicContact CE-CB 4.33Å; T133-D135 PolarHBondContact O-N 3.5Å
136	I	23.9	Very low	30.1	Very low	118 Å²	118	109.1 Å²	109.1	61%	0.605	56%	0.555	S	S	*	*			trans	-120.2	84.5	163.4	-29.2	177.3	0	0	0	109.1	W138	I136-W138 HydrophobicContact CB-CZ2 4.44Å; I136-W138 HydrophobicContact CD1-CZ2 4.44Å; I136-W138 HydrophobicContact CG2-CD2 3.84Å; I136-W138 HydrophobicContact CG2-CG 4.2Å; I136-W138 HydrophobicContact CG2-CH2 4.25Å; I136-W138 HydrophobicContact CG2-CZ2 3.39Å; I136-W138 VanDerWaalsContact O-CD1 3.23Å; I136-W138 PolarHBondContact O-N 3.24Å
137	R	21.4	Very low	29.9	Very low	230 Å²	230	110.8 Å²	110.8	87%	0.868	56%	0.558	S	S	*	*			trans	-80.9	96.8	169.3	-67.2	-174.7	-172.9	-171.7	1	108.2
138	W	26.1	Very low	29.6	Very low	161 Å²	161	109.7 Å²	109.7	61%	0.61	55%	0.55	S	S	*	*			trans	-81.7	131.7	176.5	-60.2	93.8	0	0	0	110.4	I136	I136-W138 HydrophobicContact CB-CZ2 4.44Å; I136-W138 HydrophobicContact CD1-CZ2 4.44Å; I136-W138 HydrophobicContact CG2-CD2 3.84Å; I136-W138 HydrophobicContact CG2-CG 4.2Å; I136-W138 HydrophobicContact CG2-CH2 4.25Å; I136-W138 HydrophobicContact CG2-CZ2 3.39Å; I136-W138 VanDerWaalsContact O-CD1 3.23Å; I136-W138 PolarHBondContact O-N 3.24Å
139	V	25.4	Very low	29.2	Very low	105 Å²	105	115.9 Å²	115.9	64%	0.636	57%	0.571	S	S	*	*			trans	-77.8	129.8	178.5	-174	0	0	0	0	108.1	Q141 E142	V139-Q141 PolarHBondContact O-N 3.42Å; V139-E142 PolarHBondContact O-N 2.76Å
140	N	31.8	Very low	28.8	Very low	157 Å²	157	120.8 Å²	120.8	84%	0.84	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.2	-13.2	-169.9	-79.2	-17	0	0	0	118
141	Q	28.8	Very low	28.7	Very low	174 Å²	174	123.9 Å²	123.9	81%	0.813	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-27.8	179.1	-136.5	156.5	0.5	0	0	112.9	V139	V139-Q141 PolarHBondContact O-N 3.42Å
142	E	30	Very low	28.8	Very low	108 Å²	108	117.2 Å²	117.2	51%	0.505	58%	0.576	S	S	.	*	S	Bend	trans	-83.7	-11	-179.4	-65.5	178.8	163.4	0	0	113.4	V139 K144 A146	V139-E142 PolarHBondContact O-N 2.76Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.4Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.93Å; E142-A146 VanDerWaalsContact O-N 3.09Å
143	C	28.2	Very low	28.8	Very low	64 Å²	64	118 Å²	118	43%	0.432	57%	0.567	S	S	.	*	H	α-helix	trans	-66.2	-36.2	-176.8	-143.9	0	0	0	0	112.2	D147	C143-D147 WeakPolarHBondContact O-CB 3.42Å; C143-D147 PolarHBondContact O-N 2.92Å
144	K	29.6	Very low	29.1	Very low	156 Å²	156	116.3 Å²	116.3	68%	0.678	55%	0.553	S	S	*	*	H	α-helix	trans	-67	-45.6	179.2	-73.3	-171.5	176.5	-175.3	0	112.5	E142 D147 E148	E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 3.4Å; K144-D147 PolarHBondContact O-N 2.99Å; K144-E148 WeakPolarHBondContact O-CG 3.37Å; K144-E148 PolarHBondContact O-N 2.74Å
145	D	31.3	Very low	29.5	Very low	102 Å²	102	112.7 Å²	112.7	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-68.2	-38.8	-179.7	-64.5	-20	0	0	0	110.7	E148 W149	D145-E148 PolarHBondContact O-N 3.14Å; D145-W149 PolarHBondContact O-N 2.73Å; D145-W149 VanDerWaalsContact O-N 3.15Å
146	A	32.7	Very low	30.2	Very low	33 Å²	33	108.9 Å²	108.9	27%	0.273	51%	0.514	S	S	.	.	H	α-helix	trans	-64	-48.2	174.6	0	0	0	0	0	111.6	E142 E148 W149 W150	E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.93Å; E142-A146 VanDerWaalsContact O-N 3.09Å; A146-E148 VanDerWaalsContact C-N 3.25Å; A146-E148 PolarHBondContact O-N 3.39Å; A146-W149 PolarHBondContact O-N 3.37Å; A146-W149 VanDerWaalsContact O-N 3.12Å; A146-W150 VanDerWaalsContact C-CD1 3.44Å; A146-W150 PolarHBondContact O-N 3.11Å
147	D	32.8	Very low	30.7	Very low	81 Å²	81	106.8 Å²	106.8	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-54.7	-43.7	176.9	-76	-19.7	0	0	0	110.7	C143 K144 W149 W150 H151	C143-D147 WeakPolarHBondContact O-CB 3.42Å; C143-D147 PolarHBondContact O-N 2.92Å; K144-D147 PolarHBondContact O-N 2.99Å; D147-W149 PolarHBondContact O-N 3.24Å; D147-W150 PolarHBondContact O-N 2.82Å; D147-H151 PolarHBondContact O-N 3.24Å; D147-H151 PolarHBondContact O-ND1 2.94Å
148	E	32.5	Very low	31.4	Very low	73 Å²	73	97.7 Å²	97.7	34%	0.341	49%	0.488	S	S	.	.	H	α-helix	trans	-62.6	-40.3	178.2	-72.7	-179.7	-169	0	0	113.2	K144 D145 A146 H151 A152 P184	K144-E148 WeakPolarHBondContact O-CG 3.37Å; K144-E148 PolarHBondContact O-N 2.74Å; D145-E148 PolarHBondContact O-N 3.14Å; A146-E148 VanDerWaalsContact C-N 3.25Å; A146-E148 PolarHBondContact O-N 3.39Å; E148-H151 PolarHBondContact O-N 2.95Å; E148-A152 PolarHBondContact O-N 3.39Å; E148-P184 VanDerWaalsContact OE2-CB 3.27Å; E148-P184 WeakPolarHBondContact OE2-CB 3.34Å
149	W	31	Very low	32.2	Very low	204 Å²	204	91.3 Å²	91.3	77%	0.773	47%	0.468	S	S	*	.	H	α-helix	trans	-67.4	-37.8	174.8	-78	52.8	0	0	0	111.9	D145 A146 D147 A152 L153	D145-W149 PolarHBondContact O-N 2.73Å; D145-W149 VanDerWaalsContact O-N 3.15Å; A146-W149 PolarHBondContact O-N 3.37Å; A146-W149 VanDerWaalsContact O-N 3.12Å; D147-W149 PolarHBondContact O-N 3.24Å; W149-A152 WeakPolarHBondContact O-CB 3.3Å; W149-A152 PolarHBondContact O-N 2.98Å; W149-L153 PolarHBondContact O-N 3.1Å; W149-L153 VanDerWaalsContact O-N 3.09Å
150	W	31.3	Very low	33.4	Very low	159 Å²	159	90 Å²	90	60%	0.602	46%	0.455	S	S	*	.	H	α-helix	trans	-66.9	-40.3	175.6	-68.5	119.5	0	0	0	112.2	A146 D147 A152 L153 I154	A146-W150 VanDerWaalsContact C-CD1 3.44Å; A146-W150 PolarHBondContact O-N 3.11Å; D147-W150 PolarHBondContact O-N 2.82Å; W150-A152 VanDerWaalsContact C-N 3.3Å; W150-A152 PolarHBondContact O-N 3.49Å; W150-L153 PolarHBondContact O-N 3.5Å; W150-I154 VanDerWaalsContact O-CG1 3.32Å; W150-I154 WeakPolarHBondContact O-CG1 3.32Å; W150-I154 PolarHBondContact O-N 3.17Å
151	H	31.6	Very low	34.5	Very low	80 Å²	80	85.1 Å²	85.1	37%	0.37	43%	0.426	S	S	.	.	H	α-helix	trans	-58	-43	173.4	-76.8	93.7	0	0	0	111.3	D147 E148 I155	D147-H151 PolarHBondContact O-N 3.24Å; D147-H151 PolarHBondContact O-ND1 2.94Å; E148-H151 PolarHBondContact O-N 2.95Å; H151-I155 WeakPolarHBondContact O-CD1 3.31Å; H151-I155 VanDerWaalsContact O-CG1 3.22Å; H151-I155 WeakPolarHBondContact O-CG1 3.24Å; H151-I155 PolarHBondContact O-N 3.29Å; H151-I155 VanDerWaalsContact O-N 3.14Å
152	A	30.8	Very low	35.9	Very low	11 Å²	11	77.5 Å²	77.5	9%	0.091	39%	0.391	C	S	.	.	H	α-helix	trans	-59.4	-50	174.9	0	0	0	0	0	111	E148 W149 W150 I154 I155 H156	E148-A152 PolarHBondContact O-N 3.39Å; W149-A152 WeakPolarHBondContact O-CB 3.3Å; W149-A152 PolarHBondContact O-N 2.98Å; W150-A152 VanDerWaalsContact C-N 3.3Å; W150-A152 PolarHBondContact O-N 3.49Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.49Å; A152-I155 WeakPolarHBondContact O-CB 3.35Å; A152-I155 PolarHBondContact O-N 3.03Å; A152-I155 VanDerWaalsContact O-N 3.15Å; A152-H156 VanDerWaalsContact C-CD2 3.42Å; A152-H156 PolarHBondContact O-CD2 3.49Å; A152-H156 PolarHBondContact O-N 3.27Å
153	L	32.4	Very low	37.4	Very low	109 Å²	109	72.9 Å²	72.9	57%	0.571	37%	0.369	S	S	*	.	H	α-helix	trans	-60.9	-39.4	-176.9	-149.5	123	0	0	0	113	W149 W150 H156 A157	W149-L153 PolarHBondContact O-N 3.1Å; W149-L153 VanDerWaalsContact O-N 3.09Å; W150-L153 PolarHBondContact O-N 3.5Å; L153-H156 WeakPolarHBondContact O-CB 3.16Å; L153-H156 PolarHBondContact O-N 3.04Å; L153-A157 PolarHBondContact O-N 3.33Å; L153-A157 VanDerWaalsContact O-N 3.14Å
154	I	33.7	Very low	39	Very low	75 Å²	75	69.8 Å²	69.8	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-41.4	176.2	-66.4	169.7	0	0	0	111.2	W150 A152 H156 A157 A158	W150-I154 VanDerWaalsContact O-CG1 3.32Å; W150-I154 WeakPolarHBondContact O-CG1 3.32Å; W150-I154 PolarHBondContact O-N 3.17Å; A152-I154 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3.49Å; I154-H156 VanDerWaalsContact C-N 3.31Å; I154-H156 PolarHBondContact O-N 3.42Å; I154-A157 PolarHBondContact O-N 3.34Å; I154-A157 VanDerWaalsContact O-N 3.13Å; I154-A158 PolarHBondContact O-N 2.96Å; I154-A158 VanDerWaalsContact O-N 3.11Å
155	I	32.1	Very low	40.6	Very low	47 Å²	47	66.3 Å²	66.3	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-41.4	175.3	-69.3	164.8	0	0	0	110.5	H151 A152 A157 A158 C159 L187 L199	H151-I155 WeakPolarHBondContact O-CD1 3.31Å; H151-I155 VanDerWaalsContact O-CG1 3.22Å; H151-I155 WeakPolarHBondContact O-CG1 3.24Å; H151-I155 PolarHBondContact O-N 3.29Å; H151-I155 VanDerWaalsContact O-N 3.14Å; A152-I155 WeakPolarHBondContact O-CB 3.35Å; A152-I155 PolarHBondContact O-N 3.03Å; A152-I155 VanDerWaalsContact O-N 3.15Å; I155-A157 PolarHBondContact O-N 2.86Å; I155-A158 PolarHBondContact O-N 3.33Å; I155-C159 PolarHBondContact O-N 2.89Å; I155-C159 PolarHBondContact O-SG 3.45Å; I155-C159 VanDerWaalsContact O-SG 3.35Å; I155-L187 HydrophobicContact CD1-CD1 4.44Å; I155-L187 HydrophobicContact CG2-CD1 4.3Å; I155-L199 HydrophobicContact CD1-CD1 3.89Å; I155-L199 HydrophobicContact CG1-CD1 4.45Å; I155-L199 HydrophobicContact CG2-CD1 3.55Å
156	H	35.9	Very low	41.9	Very low	40 Å²	40	61.5 Å²	61.5	19%	0.185	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-30.9	174.8	-70.4	-72.6	0	0	0	112.3	A152 L153 I154 K161 Q201 Y213	A152-H156 VanDerWaalsContact C-CD2 3.42Å; A152-H156 PolarHBondContact O-CD2 3.49Å; A152-H156 PolarHBondContact O-N 3.27Å; L153-H156 WeakPolarHBondContact O-CB 3.16Å; L153-H156 PolarHBondContact O-N 3.04Å; I154-H156 VanDerWaalsContact C-N 3.31Å; I154-H156 PolarHBondContact O-N 3.42Å; H156-K161 WeakPolarHBondContact O-CE 3.46Å; H156-K161 PolarHBondContact O-NZ 2.97Å; H156-Q201 PolarHBondContact CE1-OE1 3.43Å; H156-Y213 AromaticContact CE1-CE1 3.87Å; H156-Y213 AromaticContact CE1-CE2 3.91Å; H156-Y213 AromaticContact CE1-CZ 3.33Å; H156-Y213 PolarHBondContact CE1-OH 3.3Å; H156-Y213 AromaticContact ND1-CE1 3.16Å; H156-Y213 WeakPolarHBondContact ND1-CE1 3.43Å; H156-Y213 AromaticContact ND1-CZ 3.1Å; H156-Y213 PolarHBondContact ND1-OH 3.28Å
157	A	34.2	Very low	43.3	Very low	74 Å²	74	62.3 Å²	62.3	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-79.2	-39.2	179.6	0	0	0	0	0	113	L153 I154 I155	L153-A157 PolarHBondContact O-N 3.33Å; L153-A157 VanDerWaalsContact O-N 3.14Å; I154-A157 PolarHBondContact O-N 3.34Å; I154-A157 VanDerWaalsContact O-N 3.13Å; I155-A157 PolarHBondContact O-N 2.86Å
158	A	37	Very low	44.3	Very low	39 Å²	39	61.9 Å²	61.9	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-90.4	-2.3	-169	0	0	0	0	0	115.7	I154 I155	I154-A158 PolarHBondContact O-N 2.96Å; I154-A158 VanDerWaalsContact O-N 3.11Å; I155-A158 PolarHBondContact O-N 3.33Å
159	C	43.1	Very low	45.2	Very low	26 Å²	26	62.5 Å²	62.5	18%	0.176	32%	0.321	C	S	.	.	S	Bend	trans	-112.2	145.4	-176.4	-62.2	0	0	0	0	111.7	I155 Y213	I155-C159 PolarHBondContact O-N 2.89Å; I155-C159 PolarHBondContact O-SG 3.45Å; I155-C159 VanDerWaalsContact O-SG 3.35Å; C159-Y213 HydrophobicContact CB-CD1 4.33Å
160	E	50.8	Low	45.9	Very low	78 Å²	78	54.6 Å²	54.6	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	147.6	159.7	-70.9	-72.9	164.6	0	0	108.5	D214 L220 K238	E160-D214 PolarHBondContact N-O 2.92Å; E160-D214 PolarHBondContact O-N 3.49Å; E160-L220 HydrophobicContact CB-CD1 3.88Å; E160-K238 IonicContact OE1-NZ 3.18Å; E160-K238 WeakPolarHBondContact OE2-CE 2.86Å; E160-K238 IonicContact OE2-NZ 2.73Å; E160-K238 PolarHBondContact OE2-NZ 3.23Å
161	K	55.4	Low	46.6	Very low	55 Å²	55	49.9 Å²	49.9	24%	0.239	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.4	-172.8	-61.7	177.4	-166.4	175	0	110.4	H156 V211 Y213 F239	H156-K161 WeakPolarHBondContact O-CE 3.46Å; H156-K161 PolarHBondContact O-NZ 2.97Å; K161-V211 HydrophobicContact CB-CG1 4.26Å; K161-Y213 HydrophobicContact CD-CD1 4.36Å; K161-Y213 HydrophobicContact CD-CE1 3.83Å; K161-Y213 HydrophobicContact CG-CD1 3.75Å; K161-Y213 HydrophobicContact CG-CE1 3.68Å; K161-F239 HydrophobicContact CB-CB 3.52Å; K161-F239 HydrophobicContact CB-CG 4.3Å; K161-F239 HydrophobicContact CD-CB 4.35Å; K161-F239 HydrophobicContact CD-CD1 4.06Å; K161-F239 HydrophobicContact CD-CG 4.27Å; K161-F239 PolarHBondContact O-N 3.5Å
162	M	58.1	Low	47.5	Very low	14 Å²	14	54.6 Å²	54.6	7%	0.069	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	171.1	-81.2	-177	58.6	0	0	109.8	V211 V212 L217 L220 R221 F224 C236 R237	M162-V211 WeakPolarHBondContact O-CA 3.22Å; M162-V212 PolarHBondContact N-O 2.98Å; M162-V212 PolarHBondContact O-N 3.16Å; M162-L217 HydrophobicContact SD-CD1 4.02Å; M162-L220 HydrophobicContact CG-CD1 4.26Å; M162-L220 HydrophobicContact SD-CB 3.8Å; M162-L220 HydrophobicContact SD-CD1 4.42Å; M162-R221 HydrophobicContact SD-CG 4.31Å; M162-F224 HydrophobicContact CB-CD2 4.21Å; M162-F224 HydrophobicContact CB-CE2 3.18Å; M162-F224 HydrophobicContact CB-CZ 3.35Å; M162-F224 HydrophobicContact CE-CD2 3.11Å; M162-F224 HydrophobicContact CE-CE2 3.3Å; M162-F224 HydrophobicContact CE-CG 4.01Å; M162-F224 HydrophobicContact CE-CZ 4.16Å; M162-F224 HydrophobicContact CG-CE2 3.84Å; M162-F224 HydrophobicContact CG-CZ 4.46Å; M162-F224 HydrophobicContact SD-CD2 3.64Å; M162-F224 HydrophobicContact SD-CE2 3.44Å; M162-F224 WeakPolarHBondContact SD-CE2 3.16Å; M162-C236 WeakPolarHBondContact CE-SG 2.87Å; M162-R237 CarbonylContact C-O 3.43Å; M162-R237 WeakPolarHBondContact CA-O 3.37Å
163	I	61	Low	48.4	Very low	10 Å²	10	54.8 Å²	54.8	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.5	178.7	-48.4	-176.1	0	0	0	108.5	F209 L210 C236 R237 F239	I163-F209 HydrophobicContact CG2-CB 4.1Å; I163-F209 HydrophobicContact CG2-CD1 3.62Å; I163-F209 HydrophobicContact CG2-CE1 4.43Å; I163-F209 HydrophobicContact CG2-CG 4.17Å; I163-L210 CarbonylContact C-O 3.4Å; I163-L210 WeakPolarHBondContact CA-O 3.4Å; I163-C236 WeakPolarHBondContact O-CA 3.16Å; I163-R237 PolarHBondContact N-O 3.09Å; I163-R237 PolarHBondContact O-N 3.48Å; I163-R237 VanDerWaalsContact O-N 3.07Å; I163-F239 HydrophobicContact CD1-CB 3.87Å; I163-F239 HydrophobicContact CD1-CD2 3.16Å; I163-F239 HydrophobicContact CD1-CE2 3.85Å; I163-F239 HydrophobicContact CD1-CG 3.78Å; I163-F239 HydrophobicContact CG1-CB 3.56Å; I163-F239 HydrophobicContact CG1-CD2 3.42Å; I163-F239 VanDerWaalsContact CG1-CD2 3.42Å; I163-F239 HydrophobicContact CG1-CE2 4.45Å; I163-F239 HydrophobicContact CG1-CG 3.91Å
164	I	61.9	Low	49.3	Very low	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.1	155.8	-79.6	177.9	0	0	0	109.2	I166 F209 L210 F224 L227 V233 E235 C236	I164-I166 HydrophobicContact CG2-CG1 3.74Å; I164-F209 CarbonylContact O-C 3.58Å; I164-F209 VanDerWaalsContact O-CA 3.25Å; I164-F209 WeakPolarHBondContact O-CA 2.73Å; I164-L210 HydrophobicContact CB-CB 4.44Å; I164-L210 PolarHBondContact N-O 3.44Å; I164-L210 PolarHBondContact O-N 3.33Å; I164-F224 HydrophobicContact CB-CE1 4.46Å; I164-F224 HydrophobicContact CD1-CD1 3.08Å; I164-F224 HydrophobicContact CD1-CE1 3.38Å; I164-F224 HydrophobicContact CD1-CG 4.16Å; I164-F224 HydrophobicContact CG1-CD1 3.63Å; I164-F224 HydrophobicContact CG1-CE1 3.52Å; I164-L227 HydrophobicContact CD1-CB 4.48Å; I164-L227 HydrophobicContact CD1-CD1 4.1Å; I164-V233 HydrophobicContact CD1-CG1 4.18Å; I164-V233 HydrophobicContact CD1-CG2 3.73Å; I164-V233 HydrophobicContact CG1-CG1 3.98Å; I164-V233 HydrophobicContact CG1-CG2 4.38Å; I164-V233 HydrophobicContact CG2-CB 4.45Å; I164-V233 HydrophobicContact CG2-CG1 4Å; I164-V233 HydrophobicContact CG2-CG2 4.04Å; I164-E235 VanDerWaalsContact CA-O 3.25Å; I164-E235 WeakPolarHBondContact CA-O 3.43Å; I164-C236 HydrophobicContact CG1-CB 4.36Å
165	R	62.8	Low	50.1	Low	82 Å²	82	51.6 Å²	51.6	31%	0.309	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.7	156.6	-159.8	172.6	-164.8	-177.7	-6.8	108.2	P207 F209 T234 E235	R165-P207 HydrophobicContact CG-CG 3.6Å; R165-P207 VanDerWaalsContact CZ-CD 3.49Å; R165-F209 HydrophobicContact CB-CD1 3.85Å; R165-F209 HydrophobicContact CB-CE1 3.75Å; R165-F209 HydrophobicContact CG-CD1 3.85Å; R165-F209 HydrophobicContact CG-CE1 3.46Å; R165-F209 VanDerWaalsContact CG-CE1 3.46Å; R165-F209 HydrophobicContact CG-CZ 4.21Å; R165-T234 PolarHBondContact O-N 3.29Å; R165-T234 PolarHBondContact O-OG1 3.22Å; R165-T234 VanDerWaalsContact O-OG1 3.04Å; R165-E235 HydrophobicContact CB-CB 3.61Å; R165-E235 PolarHBondContact N-O 3Å; R165-E235 PolarHBondContact O-N 3.49Å
166	I	59.6	Low	51.1	Low	1 Å²	1	54.5 Å²	54.5	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.3	175.3	-49.7	178.2	0	0	0	107.2	I164 V170 V173 P207 P208 L210 M231	I164-I166 HydrophobicContact CG2-CG1 3.74Å; I166-V170 HydrophobicContact CG2-CB 3.66Å; I166-V170 HydrophobicContact CG2-CG1 4.36Å; I166-V170 HydrophobicContact CG2-CG2 3.64Å; I166-V173 HydrophobicContact CD1-CG2 4.29Å; I166-P207 WeakPolarHBondContact O-CB 3.45Å; I166-P208 HydrophobicContact CB-CG 4.43Å; I166-P208 PolarHBondContact N-O 3.14Å; I166-P208 VanDerWaalsContact N-O 3.12Å; I166-L210 HydrophobicContact CD1-CD1 3.71Å; I166-L210 HydrophobicContact CD1-CG 3.91Å; I166-L210 HydrophobicContact CG1-CD1 4.39Å; I166-M231 HydrophobicContact CD1-SD 4.15Å; I166-M231 HydrophobicContact CG1-SD 4.28Å
167	D	61.2	Low	52	Low	51 Å²	51	61 Å²	61	27%	0.273	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-58	141.6	172	-156.1	-28.8	0	0	0	111.3	A169 V170 Q232 T234	D167-A169 PolarHBondContact O-N 3.43Å; D167-A169 VanDerWaalsContact O-N 3.12Å; D167-A169 PolarHBondContact OD1-N 3.31Å; D167-V170 PolarHBondContact O-N 3.39Å; D167-Q232 HydrophobicContact CB-CB 4.49Å; D167-Q232 HydrophobicContact CB-CG 4.37Å; D167-Q232 PolarHBondContact N-O 3.48Å; D167-Q232 PolarHBondContact OD2-NE2 2.82Å; D167-T234 HydrophobicContact CB-CG2 3.61Å
168	D	54.3	Low	53.1	Low	72 Å²	72	57.6 Å²	57.6	39%	0.385	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.8	177.3	-104.4	-10.9	0	0	0	112.1	V170 G171 N206 P207	D168-V170 PolarHBondContact O-N 3.09Å; D168-V170 VanDerWaalsContact O-N 3.13Å; D168-G171 PolarHBondContact O-N 3.3Å; D168-N206 PolarHBondContact OD1-OD1 3.24Å; D168-N206 VanDerWaalsContact OD1-OD1 3.06Å; D168-N206 PolarHBondContact OD2-ND2 3.19Å; D168-N206 PolarHBondContact OD2-OD1 3.34Å; D168-P207 HydrophobicContact CB-CB 4.22Å; D168-P207 WeakPolarHBondContact OD1-CA 3.47Å; D168-P207 WeakPolarHBondContact OD1-CB 3.49Å
169	A	50.5	Low	54	Low	86 Å²	86	61 Å²	61	71%	0.711	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.9	173.9	0	0	0	0	0	112.7	D167 G171	D167-A169 PolarHBondContact O-N 3.43Å; D167-A169 VanDerWaalsContact O-N 3.12Å; D167-A169 PolarHBondContact OD1-N 3.31Å; A169-G171 PolarHBondContact O-N 3.49Å
170	V	45.4	Very low	54.9	Low	37 Å²	37	60 Å²	60	22%	0.224	32%	0.322	C	S	.	.	S	Bend	trans	-91.1	51.3	173.4	-152.3	0	0	0	0	110.2	I166 D167 D168 K172 V173	I166-V170 HydrophobicContact CG2-CB 3.66Å; I166-V170 HydrophobicContact CG2-CG1 4.36Å; I166-V170 HydrophobicContact CG2-CG2 3.64Å; D167-V170 PolarHBondContact O-N 3.39Å; D168-V170 PolarHBondContact O-N 3.09Å; D168-V170 VanDerWaalsContact O-N 3.13Å; V170-K172 PolarHBondContact O-N 2.76Å; V170-V173 HydrophobicContact CB-CG2 4.1Å; V170-V173 HydrophobicContact CG1-CG2 3.22Å
171	G	46.9	Very low	55.1	Low	61 Å²	61	62 Å²	62	63%	0.629	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	114.9	175.6	0	0	0	0	0	110.9	D168 A169	D168-G171 PolarHBondContact O-N 3.3Å; A169-G171 PolarHBondContact O-N 3.49Å
172	K	49.7	Very low	55.2	Low	179 Å²	179	64.2 Å²	64.2	78%	0.778	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	72.6	179.6	-53.4	177.2	-177.2	179.5	0	113.1	V170 P174	V170-K172 PolarHBondContact O-N 2.76Å; K172-P174 WeakPolarHBondContact O-CD 3.47Å
173	V	49.7	Very low	54.7	Low	15 Å²	15	65.1 Å²	65.1	9%	0.091	36%	0.358	C	S	.	.			trans	-63	105.6	155.9	-173.2	0	0	0	0	106.2	I166 V170 R177 L178	I166-V173 HydrophobicContact CD1-CG2 4.29Å; V170-V173 HydrophobicContact CB-CG2 4.1Å; V170-V173 HydrophobicContact CG1-CG2 3.22Å; V173-R177 HydrophobicContact CG1-CB 3.52Å; V173-L178 HydrophobicContact CG1-CD2 3.68Å; V173-L178 HydrophobicContact CG1-CG 3.88Å
174	P	52.6	Low	54	Low	55 Å²	55	69.9 Å²	69.9	36%	0.357	39%	0.39	S	S	.	.			trans	-70.2	153.8	177.5	13.2	4	0	0	0	107.8	K172 D176 R177	K172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-D176 WeakPolarHBondContact CA-OD1 3.45Å; P174-D176 WeakPolarHBondContact CB-OD1 3.31Å; P174-D176 WeakPolarHBondContact CG-OD1 3.24Å; P174-D176 PolarHBondContact O-N 2.96Å; P174-D176 VanDerWaalsContact O-OD1 3.05Å; P174-R177 PolarHBondContact O-N 3.05Å
175	P	50.2	Low	53.1	Low	61 Å²	61	71.7 Å²	71.7	40%	0.396	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-52.7	-26.6	-175	-30.3	36.1	0	0	0	114.8	L178 C180 L188	P175-L178 WeakPolarHBondContact O-CB 3.38Å; P175-L178 PolarHBondContact O-N 3.27Å; P175-C180 PolarHBondContact O-N 3.08Å; P175-L188 HydrophobicContact CB-CD1 3.88Å; P175-L188 HydrophobicContact CB-CD2 3.79Å; P175-L188 HydrophobicContact CB-CG 4.5Å; P175-L188 HydrophobicContact CG-CD1 4.25Å; P175-L188 HydrophobicContact CG-CD2 4.17Å
176	D	52.9	Low	52.5	Low	109 Å²	109	70.7 Å²	70.7	58%	0.583	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-61.3	-39.5	174.9	64.2	-28.7	0	0	0	113	P174 L178 L179	P174-D176 WeakPolarHBondContact CA-OD1 3.45Å; P174-D176 WeakPolarHBondContact CB-OD1 3.31Å; P174-D176 WeakPolarHBondContact CG-OD1 3.24Å; P174-D176 PolarHBondContact O-N 2.96Å; P174-D176 VanDerWaalsContact O-OD1 3.05Å; D176-L178 PolarHBondContact O-N 3.45Å; D176-L179 PolarHBondContact O-N 3.3Å; D176-L179 VanDerWaalsContact O-N 3.16Å
177	R	55	Low	52	Low	176 Å²	176	70.8 Å²	70.8	66%	0.664	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-72.1	-17.3	176.3	-76.3	-167.8	172.3	-167.3	-3	113.7	V173 P174 L179	V173-R177 HydrophobicContact CG1-CB 3.52Å; P174-R177 PolarHBondContact O-N 3.05Å; R177-L179 PolarHBondContact O-N 3.46Å
178	L	56.6	Low	51.7	Low	3 Å²	3	69 Å²	69	2%	0.016	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-78.5	-2.3	172.9	-58.8	174	0	0	0	112.2	V173 P175 D176 C180 L188 L210 M231	V173-L178 HydrophobicContact CG1-CD2 3.68Å; V173-L178 HydrophobicContact CG1-CG 3.88Å; P175-L178 WeakPolarHBondContact O-CB 3.38Å; P175-L178 PolarHBondContact O-N 3.27Å; D176-L178 PolarHBondContact O-N 3.45Å; L178-C180 HydrophobicContact CB-CB 4.2Å; L178-C180 WeakPolarHBondContact CB-SG 3.37Å; L178-C180 PolarHBondContact O-N 3.08Å; L178-C180 PolarHBondContact O-SG 3.4Å; L178-L188 HydrophobicContact CD1-CD1 3.6Å; L178-L210 HydrophobicContact CD1-CD1 4.41Å; L178-L210 HydrophobicContact CD1-CD2 3.77Å; L178-L210 HydrophobicContact CD2-CD1 3.66Å; L178-L210 HydrophobicContact CD2-CD2 4.48Å; L178-M231 HydrophobicContact CD2-CE 3.71Å
179	L	55.5	Low	52	Low	109 Å²	109	71 Å²	71	57%	0.571	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	32.4	-169.2	-54.9	171.4	0	0	0	111.7	D176 R177 C190 L192	D176-L179 PolarHBondContact O-N 3.3Å; D176-L179 VanDerWaalsContact O-N 3.16Å; R177-L179 PolarHBondContact O-N 3.46Å; L179-C190 WeakPolarHBondContact O-CA 3.32Å; L179-L192 HydrophobicContact CB-CD2 4.3Å; L179-L192 HydrophobicContact CD1-CD2 3.7Å
180	C	61.9	Low	52.3	Low	6 Å²	6	66.9 Å²	66.9	4%	0.041	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141	-175.1	-42.5	0	0	0	0	111.9	P175 L178 L188 R189 C190	P175-C180 PolarHBondContact O-N 3.08Å; L178-C180 HydrophobicContact CB-CB 4.2Å; L178-C180 WeakPolarHBondContact CB-SG 3.37Å; L178-C180 PolarHBondContact O-N 3.08Å; L178-C180 PolarHBondContact O-SG 3.4Å; C180-L188 HydrophobicContact CB-CB 3.64Å; C180-R189 CarbonylContact C-O 3.51Å; C180-R189 VanDerWaalsContact CA-O 3.23Å; C180-R189 WeakPolarHBondContact CA-O 3.49Å; C180-C190 HydrophobicContact CB-CB 3.94Å; C180-C190 WeakPolarHBondContact CB-SG 3.47Å; C180-C190 WeakPolarHBondContact SG-CB 3.47Å; C180-C190 CovalentContact SG-SG 2.01Å; C180-C190 PolarHBondContact SG-SG 3Å
181	H	56.2	Low	53	Low	120 Å²	120	68.4 Å²	68.4	56%	0.556	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.9	168.7	-61.3	-63.6	0	0	0	109.4	C183 L188 R189	H181-C183 PolarHBondContact O-N 3.33Å; H181-L188 CarbonylContact O-C 3.59Å; H181-R189 PolarHBondContact N-O 2.93Å; H181-R189 PolarHBondContact O-N 3.48Å
182	P	56.2	Low	53.4	Low	102 Å²	102	66.1 Å²	66.1	66%	0.662	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.2	171.1	27	-32.9	0	0	0	110.6	L188	P182-L188 HydrophobicContact CB-CD2 4.12Å
183	C	49.2	Very low	53.5	Low	33 Å²	33	64.2 Å²	64.2	22%	0.223	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-100.4	151.6	168.8	-67.5	0	0	0	0	110	H181 S185 G186 L187 R189	H181-C183 PolarHBondContact O-N 3.33Å; C183-S185 WeakPolarHBondContact CB-OG 3.02Å; C183-S185 PolarHBondContact O-N 2.83Å; C183-S185 VanDerWaalsContact O-N 3.14Å; C183-G186 PolarHBondContact O-N 3.34Å; C183-L187 WeakPolarHBondContact CA-O 3.43Å; C183-L187 VanDerWaalsContact CB-O 3.27Å; C183-L187 WeakPolarHBondContact CB-O 3.44Å; C183-L187 PolarHBondContact N-O 3.41Å; C183-R189 VanDerWaalsContact SG-CB 3.53Å
184	P	45.1	Very low	53.6	Low	109 Å²	109	67.7 Å²	67.7	71%	0.708	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.3	173.4	-27	35.2	0	0	0	113.4	E148 G186	E148-P184 VanDerWaalsContact OE2-CB 3.27Å; E148-P184 WeakPolarHBondContact OE2-CB 3.34Å; P184-G186 PolarHBondContact O-N 3.49Å
185	S	44.4	Very low	53.5	Low	38 Å²	38	66.1 Å²	66.1	27%	0.266	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	0.1	175.5	56.2	0	0	0	0	116.3	C183 L187	C183-S185 WeakPolarHBondContact CB-OG 3.02Å; C183-S185 PolarHBondContact O-N 2.83Å; C183-S185 VanDerWaalsContact O-N 3.14Å; S185-L187 PolarHBondContact O-N 2.98Å; S185-L187 VanDerWaalsContact O-N 3.17Å
186	G	49.5	Very low	53.8	Low	61 Å²	61	73.5 Å²	73.5	63%	0.629	40%	0.402	S	S	*	.	S	Bend	trans	77.7	-11	-173.3	0	0	0	0	0	115.1	C183 P184	C183-G186 PolarHBondContact O-N 3.34Å; P184-G186 PolarHBondContact O-N 3.49Å
187	L	49.3	Very low	54.1	Low	3 Å²	3	70.1 Å²	70.1	2%	0.016	39%	0.385	C	S	.	.			trans	-73.5	156.2	168.5	-59.2	177.3	0	0	0	111.9	I155 C183 S185 L199 Q201 Y213	I155-L187 HydrophobicContact CD1-CD1 4.44Å; I155-L187 HydrophobicContact CG2-CD1 4.3Å; C183-L187 WeakPolarHBondContact CA-O 3.43Å; C183-L187 VanDerWaalsContact CB-O 3.27Å; C183-L187 WeakPolarHBondContact CB-O 3.44Å; C183-L187 PolarHBondContact N-O 3.41Å; S185-L187 PolarHBondContact O-N 2.98Å; S185-L187 VanDerWaalsContact O-N 3.17Å; L187-L199 HydrophobicContact CD1-CD1 4.27Å; L187-Q201 HydrophobicContact CD2-CB 3.79Å; L187-Q201 HydrophobicContact CD2-CG 4.29Å; L187-Y213 HydrophobicContact CD2-CE2 4.21Å
188	L	55.2	Low	54.2	Low	13 Å²	13	61.8 Å²	61.8	7%	0.068	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.5	172.2	-57.5	-178.7	0	0	0	109.1	P175 L178 C180 H181 P182 L199 V200	P175-L188 HydrophobicContact CB-CD1 3.88Å; P175-L188 HydrophobicContact CB-CD2 3.79Å; P175-L188 HydrophobicContact CB-CG 4.5Å; P175-L188 HydrophobicContact CG-CD1 4.25Å; P175-L188 HydrophobicContact CG-CD2 4.17Å; L178-L188 HydrophobicContact CD1-CD1 3.6Å; C180-L188 HydrophobicContact CB-CB 3.64Å; H181-L188 CarbonylContact O-C 3.59Å; P182-L188 HydrophobicContact CB-CD2 4.12Å; L188-L199 CarbonylContact O-C 3.57Å; L188-L199 WeakPolarHBondContact O-CA 3.47Å; L188-V200 WeakPolarHBondContact CA-O 3.47Å; L188-V200 HydrophobicContact CB-CB 4.23Å; L188-V200 WeakPolarHBondContact CB-O 3.46Å; L188-V200 PolarHBondContact N-O 2.98Å; L188-V200 PolarHBondContact O-N 3.43Å
189	R	59.1	Low	54.3	Low	114 Å²	114	63.4 Å²	63.4	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.6	176	-175.9	-174.6	174.9	159.4	8.1	110.4	C180 H181 C183 N191 T197 L199	C180-R189 CarbonylContact C-O 3.51Å; C180-R189 VanDerWaalsContact CA-O 3.23Å; C180-R189 WeakPolarHBondContact CA-O 3.49Å; H181-R189 PolarHBondContact N-O 2.93Å; H181-R189 PolarHBondContact O-N 3.48Å; C183-R189 VanDerWaalsContact SG-CB 3.53Å; R189-N191 PolarHBondContact NE-OD1 3.02Å; R189-T197 HydrophobicContact CG-CG2 3.23Å; R189-T197 PolarHBondContact NE-OG1 3.44Å; R189-T197 PolarHBondContact NH2-OG1 3.21Å; R189-L199 HydrophobicContact CB-CD2 4.17Å; R189-L199 HydrophobicContact CG-CD2 4.33Å
190	C	58.5	Low	54.3	Low	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	116	-179.8	-37.4	0	0	0	0	109.9	L179 C180 T197 V198 V200 Y223	L179-C190 WeakPolarHBondContact O-CA 3.32Å; C180-C190 HydrophobicContact CB-CB 3.94Å; C180-C190 WeakPolarHBondContact CB-SG 3.47Å; C180-C190 WeakPolarHBondContact SG-CB 3.47Å; C180-C190 CovalentContact SG-SG 2.01Å; C180-C190 PolarHBondContact SG-SG 3Å; C190-T197 CarbonylContact O-C 3.57Å; C190-T197 VanDerWaalsContact O-CA 3.29Å; C190-T197 WeakPolarHBondContact O-CA 3.24Å; C190-V198 HydrophobicContact CB-CG2 3.74Å; C190-V198 PolarHBondContact N-O 3.47Å; C190-V198 PolarHBondContact O-N 3.4Å; C190-V200 WeakPolarHBondContact SG-CG2 3.32Å; C190-Y223 HydrophobicContact CB-CE2 4.08Å; C190-Y223 PolarHBondContact SG-OH 3.39Å; C190-Y223 VanDerWaalsContact SG-OH 3.35Å
191	N	59.5	Low	54.1	Low	69 Å²	69	60.8 Å²	60.8	37%	0.369	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	90.4	176.6	-69.3	-34.3	0	0	0	108.6	R189 T197	R189-N191 PolarHBondContact NE-OD1 3.02Å; N191-T197 PolarHBondContact OD1-OG1 2.92Å
192	L	54.9	Low	54.1	Low	13 Å²	13	59.1 Å²	59.1	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.1	171.6	-67.5	-167.8	0	0	0	110.5	L179 A194 L195 R196 Y223 V226	L179-L192 HydrophobicContact CB-CD2 4.3Å; L179-L192 HydrophobicContact CD1-CD2 3.7Å; L192-A194 PolarHBondContact O-N 3.43Å; L192-A194 VanDerWaalsContact O-N 3.15Å; L192-L195 HydrophobicContact CB-CB 4.32Å; L192-L195 HydrophobicContact CD1-CD1 4.17Å; L192-L195 PolarHBondContact O-N 2.83Å; L192-R196 PolarHBondContact O-N 3.36Å; L192-Y223 HydrophobicContact CD1-CD2 3.27Å; L192-Y223 HydrophobicContact CD1-CE2 3.55Å; L192-Y223 HydrophobicContact CD1-CG 4.41Å; L192-Y223 HydrophobicContact CD2-CE2 4.4Å; L192-Y223 HydrophobicContact CG-CD2 3.95Å; L192-Y223 HydrophobicContact CG-CE2 3.83Å; L192-V226 HydrophobicContact CD1-CG1 4.26Å
193	P	51.4	Low	54.1	Low	139 Å²	139	57 Å²	57	90%	0.903	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.8	177.3	-25.5	32.7	0	0	0	113.2
194	A	52	Low	54.3	Low	89 Å²	89	60.5 Å²	60.5	74%	0.736	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.3	-175.4	0	0	0	0	0	114.7	L192	L192-A194 PolarHBondContact O-N 3.43Å; L192-A194 VanDerWaalsContact O-N 3.15Å
195	L	50.6	Low	54.6	Low	22 Å²	22	57.3 Å²	57.3	12%	0.115	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	3	-163.2	-65.8	175.5	0	0	0	115.4	L192 K219 Q222	L192-L195 HydrophobicContact CB-CB 4.32Å; L192-L195 HydrophobicContact CD1-CD1 4.17Å; L192-L195 PolarHBondContact O-N 2.83Å; L195-K219 HydrophobicContact CB-CG 4.4Å; L195-K219 HydrophobicContact CD2-CG 4.46Å; L195-K219 WeakPolarHBondContact O-CD 3.42Å; L195-K219 WeakPolarHBondContact O-CE 3.26Å; L195-K219 PolarHBondContact O-NZ 2.84Å; L195-Q222 HydrophobicContact CD1-CB 3.78Å; L195-Q222 HydrophobicContact CD2-CB 3.96Å
196	R	55.9	Low	55.2	Low	215 Å²	215	61.7 Å²	61.7	81%	0.811	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60	-175.9	-164.7	-50.6	-179	173.7	-176	-2	111	L192	L192-R196 PolarHBondContact O-N 3.36Å
197	T	59.4	Low	55.5	Low	39 Å²	39	59.5 Å²	59.5	24%	0.239	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	131.3	179.2	-58.2	0	0	0	0	112.7	R189 C190 N191 K219	R189-T197 HydrophobicContact CG-CG2 3.23Å; R189-T197 PolarHBondContact NE-OG1 3.44Å; R189-T197 PolarHBondContact NH2-OG1 3.21Å; C190-T197 CarbonylContact O-C 3.57Å; C190-T197 VanDerWaalsContact O-CA 3.29Å; C190-T197 WeakPolarHBondContact O-CA 3.24Å; N191-T197 PolarHBondContact OD1-OG1 2.92Å; T197-K219 PolarHBondContact O-NZ 3.02Å
198	V	58.3	Low	55.9	Low	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	156.9	157.8	-65.8	0	0	0	0	110	C190 V200 V212 D214 Y223	C190-V198 HydrophobicContact CB-CG2 3.74Å; C190-V198 PolarHBondContact N-O 3.47Å; C190-V198 PolarHBondContact O-N 3.4Å; V198-V200 HydrophobicContact CG2-CG2 4.26Å; V198-V212 HydrophobicContact CB-CG1 4.1Å; V198-V212 HydrophobicContact CG2-CG1 4.18Å; V198-D214 HydrophobicContact CG1-CB 4.45Å; V198-Y223 HydrophobicContact CG1-CD2 4.44Å; V198-Y223 HydrophobicContact CG2-CD1 4.32Å; V198-Y223 HydrophobicContact CG2-CD2 3.58Å; V198-Y223 HydrophobicContact CG2-CE1 4.13Å; V198-Y223 HydrophobicContact CG2-CE2 3.44Å; V198-Y223 VanDerWaalsContact CG2-CE2 3.44Å; V198-Y223 HydrophobicContact CG2-CG 4.07Å
199	L	57.3	Low	56	Low	37 Å²	37	60.5 Å²	60.5	19%	0.194	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140	173	-64.3	173.3	0	0	0	109.4	I155 L187 L188 R189 V212 Y213	I155-L199 HydrophobicContact CD1-CD1 3.89Å; I155-L199 HydrophobicContact CG1-CD1 4.45Å; I155-L199 HydrophobicContact CG2-CD1 3.55Å; L187-L199 HydrophobicContact CD1-CD1 4.27Å; L188-L199 CarbonylContact O-C 3.57Å; L188-L199 WeakPolarHBondContact O-CA 3.47Å; R189-L199 HydrophobicContact CB-CD2 4.17Å; R189-L199 HydrophobicContact CG-CD2 4.33Å; L199-V212 WeakPolarHBondContact O-CA 3.05Å; L199-Y213 HydrophobicContact CB-CD2 4.41Å; L199-Y213 PolarHBondContact N-O 3.39Å; L199-Y213 WeakPolarHBondContact O-CD2 3.4Å; L199-Y213 PolarHBondContact O-N 3.44Å
200	V	56.5	Low	56	Low	0 Å²	0	55 Å²	55	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.4	-174.9	179	0	0	0	0	109.1	L188 C190 V198 L210 V211 V212 Y223	L188-V200 WeakPolarHBondContact CA-O 3.47Å; L188-V200 HydrophobicContact CB-CB 4.23Å; L188-V200 WeakPolarHBondContact CB-O 3.46Å; L188-V200 PolarHBondContact N-O 2.98Å; L188-V200 PolarHBondContact O-N 3.43Å; C190-V200 WeakPolarHBondContact SG-CG2 3.32Å; V198-V200 HydrophobicContact CG2-CG2 4.26Å; V200-L210 HydrophobicContact CG1-CB 4.21Å; V200-L210 HydrophobicContact CG1-CD2 3.75Å; V200-L210 HydrophobicContact CG1-CG 4.43Å; V200-V211 CarbonylContact C-O 3.54Å; V200-V211 VanDerWaalsContact CA-O 3.29Å; V200-V211 WeakPolarHBondContact CA-O 3.42Å; V200-V212 HydrophobicContact CG1-CG2 4.41Å; V200-V212 HydrophobicContact CG2-CB 4.32Å; V200-V212 HydrophobicContact CG2-CG1 3.98Å; V200-V212 HydrophobicContact CG2-CG2 3.93Å; V200-Y223 HydrophobicContact CG2-CE1 4.23Å
201	Q	57.8	Low	56	Low	60 Å²	60	55.1 Å²	55.1	28%	0.28	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.8	168.9	-175.9	-179.5	16.4	0	0	108.9	H156 L187 I203 L210 V211 Y213	H156-Q201 PolarHBondContact CE1-OE1 3.43Å; L187-Q201 HydrophobicContact CD2-CB 3.79Å; L187-Q201 HydrophobicContact CD2-CG 4.29Å; Q201-I203 HydrophobicContact CG-CG1 4.48Å; Q201-L210 CarbonylContact O-C 3.58Å; Q201-L210 WeakPolarHBondContact O-CA 3.5Å; Q201-V211 HydrophobicContact CB-CB 4.38Å; Q201-V211 PolarHBondContact N-O 3.11Å; Q201-V211 PolarHBondContact O-N 3.45Å; Q201-Y213 HydrophobicContact CB-CE2 3.72Å; Q201-Y213 PolarHBondContact OE1-OH 3.41Å
202	Y	56.7	Low	56	Low	84 Å²	84	51.8 Å²	51.8	33%	0.329	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.5	171	176.6	-105.5	0	0	0	109.7	P204 P208 L210	Y202-P204 HydrophobicContact CD1-CB 4.46Å; Y202-P204 HydrophobicContact CE1-CB 3.8Å; Y202-P208 HydrophobicContact CE2-CB 3.57Å; Y202-P208 HydrophobicContact CE2-CG 4.36Å; Y202-P208 WeakPolarHBondContact OH-CB 3.32Å; Y202-L210 HydrophobicContact CD2-CD2 3.7Å; Y202-L210 HydrophobicContact CG-CD2 4.36Å
203	I	55.4	Low	56.1	Low	59 Å²	59	51.6 Å²	51.6	30%	0.303	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.4	174.3	-56.5	177.5	0	0	0	107.4	Q201 S205 F209 V211	Q201-I203 HydrophobicContact CG-CG1 4.48Å; I203-S205 PolarHBondContact O-N 3.25Å; I203-S205 PolarHBondContact O-OG 3.33Å; I203-F209 HydrophobicContact CB-CB 4.24Å; I203-F209 PolarHBondContact N-O 3.13Å; I203-F209 PolarHBondContact O-N 3.5Å; I203-F209 VanDerWaalsContact O-N 3.09Å; I203-V211 HydrophobicContact CD1-CG2 3.78Å; I203-V211 HydrophobicContact CG1-CG2 4.47Å
204	P	52.7	Low	56.4	Low	106 Å²	106	46.1 Å²	46.1	69%	0.688	25%	0.245	S	C	*	.			trans	-75.6	75.2	178.9	31.9	-34.6	0	0	0	110.7	Y202	Y202-P204 HydrophobicContact CD1-CB 4.46Å; Y202-P204 HydrophobicContact CE1-CB 3.8Å
205	S	52.1	Low	56.4	Low	41 Å²	41	50.3 Å²	50.3	29%	0.287	24%	0.241	S	C	.	.			trans	-105	175.2	169.6	53.4	0	0	0	0	110.2	I203 P207 P208 F209	I203-S205 PolarHBondContact O-N 3.25Å; I203-S205 PolarHBondContact O-OG 3.33Å; S205-P207 CarbonylContact C-O 3.18Å; S205-P207 CarbonylContact O-C 3.59Å; S205-P207 PolarHBondContact OG-O 3.31Å; S205-P208 VanDerWaalsContact O-CA 3.24Å; S205-P208 WeakPolarHBondContact O-CA 3.45Å; S205-P208 WeakPolarHBondContact OG-CA 3.39Å; S205-F209 WeakPolarHBondContact OG-CD2 3.2Å; S205-F209 WeakPolarHBondContact OG-CE2 3.21Å
206	N	56.1	Low	56.8	Low	130 Å²	130	51.5 Å²	51.5	70%	0.695	25%	0.252	S	S	*	.	S	Bend	trans	-117.9	101.4	176.2	-161.7	79.5	0	0	0	110.5	D168	D168-N206 PolarHBondContact OD1-OD1 3.24Å; D168-N206 VanDerWaalsContact OD1-OD1 3.06Å; D168-N206 PolarHBondContact OD2-ND2 3.19Å; D168-N206 PolarHBondContact OD2-OD1 3.34Å
207	P	56.9	Low	57	Low	15 Å²	15	44.5 Å²	44.5	10%	0.097	23%	0.23	C	C	.	.	S	Bend	cis	-83.2	157.9	1	40.5	-36.3	0	0	0	112	R165 I166 D168 S205	R165-P207 HydrophobicContact CG-CG 3.6Å; R165-P207 VanDerWaalsContact CZ-CD 3.49Å; I166-P207 WeakPolarHBondContact O-CB 3.45Å; D168-P207 HydrophobicContact CB-CB 4.22Å; D168-P207 WeakPolarHBondContact OD1-CA 3.47Å; D168-P207 WeakPolarHBondContact OD1-CB 3.49Å; S205-P207 CarbonylContact C-O 3.18Å; S205-P207 CarbonylContact O-C 3.59Å; S205-P207 PolarHBondContact OG-O 3.31Å
208	P	57.3	Low	57.3	Low	12 Å²	12	49 Å²	49	8%	0.078	25%	0.248	C	C	.	.			trans	-69	153.2	-169.8	25.9	-34.3	0	0	0	113.4	I166 Y202 S205	I166-P208 HydrophobicContact CB-CG 4.43Å; I166-P208 PolarHBondContact N-O 3.14Å; I166-P208 VanDerWaalsContact N-O 3.12Å; Y202-P208 HydrophobicContact CE2-CB 3.57Å; Y202-P208 HydrophobicContact CE2-CG 4.36Å; Y202-P208 WeakPolarHBondContact OH-CB 3.32Å; S205-P208 VanDerWaalsContact O-CA 3.24Å; S205-P208 WeakPolarHBondContact O-CA 3.45Å; S205-P208 WeakPolarHBondContact OG-CA 3.39Å
209	F	57.2	Low	57.6	Low	25 Å²	25	50.4 Å²	50.4	11%	0.11	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.5	175.3	-57	-78.4	0	0	0	112.5	I163 I164 R165 I203 S205	I163-F209 HydrophobicContact CG2-CB 4.1Å; I163-F209 HydrophobicContact CG2-CD1 3.62Å; I163-F209 HydrophobicContact CG2-CE1 4.43Å; I163-F209 HydrophobicContact CG2-CG 4.17Å; I164-F209 CarbonylContact O-C 3.58Å; I164-F209 VanDerWaalsContact O-CA 3.25Å; I164-F209 WeakPolarHBondContact O-CA 2.73Å; R165-F209 HydrophobicContact CB-CD1 3.85Å; R165-F209 HydrophobicContact CB-CE1 3.75Å; R165-F209 HydrophobicContact CG-CD1 3.85Å; R165-F209 HydrophobicContact CG-CE1 3.46Å; R165-F209 VanDerWaalsContact CG-CE1 3.46Å; R165-F209 HydrophobicContact CG-CZ 4.21Å; I203-F209 HydrophobicContact CB-CB 4.24Å; I203-F209 PolarHBondContact N-O 3.13Å; I203-F209 PolarHBondContact O-N 3.5Å; I203-F209 VanDerWaalsContact O-N 3.09Å; S205-F209 WeakPolarHBondContact OG-CD2 3.2Å; S205-F209 WeakPolarHBondContact OG-CE2 3.21Å
210	L	59	Low	57.8	Low	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	162.7	-65.9	173.4	0	0	0	109.1	I163 I164 I166 L178 V200 Q201 Y202 M231	I163-L210 CarbonylContact C-O 3.4Å; I163-L210 WeakPolarHBondContact CA-O 3.4Å; I164-L210 HydrophobicContact CB-CB 4.44Å; I164-L210 PolarHBondContact N-O 3.44Å; I164-L210 PolarHBondContact O-N 3.33Å; I166-L210 HydrophobicContact CD1-CD1 3.71Å; I166-L210 HydrophobicContact CD1-CG 3.91Å; I166-L210 HydrophobicContact CG1-CD1 4.39Å; L178-L210 HydrophobicContact CD1-CD1 4.41Å; L178-L210 HydrophobicContact CD1-CD2 3.77Å; L178-L210 HydrophobicContact CD2-CD1 3.66Å; L178-L210 HydrophobicContact CD2-CD2 4.48Å; V200-L210 HydrophobicContact CG1-CB 4.21Å; V200-L210 HydrophobicContact CG1-CD2 3.75Å; V200-L210 HydrophobicContact CG1-CG 4.43Å; Q201-L210 CarbonylContact O-C 3.58Å; Q201-L210 WeakPolarHBondContact O-CA 3.5Å; Y202-L210 HydrophobicContact CD2-CD2 3.7Å; Y202-L210 HydrophobicContact CG-CD2 4.36Å; L210-M231 HydrophobicContact CD1-SD 4.28Å
211	V	59.1	Low	58.4	Low	1 Å²	1	55.7 Å²	55.7	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.4	167.7	-168.6	0	0	0	0	108.3	K161 M162 V200 Q201 I203 Y213 F239	K161-V211 HydrophobicContact CB-CG1 4.26Å; M162-V211 WeakPolarHBondContact O-CA 3.22Å; V200-V211 CarbonylContact C-O 3.54Å; V200-V211 VanDerWaalsContact CA-O 3.29Å; V200-V211 WeakPolarHBondContact CA-O 3.42Å; Q201-V211 HydrophobicContact CB-CB 4.38Å; Q201-V211 PolarHBondContact N-O 3.11Å; Q201-V211 PolarHBondContact O-N 3.45Å; I203-V211 HydrophobicContact CD1-CG2 3.78Å; I203-V211 HydrophobicContact CG1-CG2 4.47Å; V211-Y213 HydrophobicContact CB-CE2 3.97Å; V211-Y213 WeakPolarHBondContact CB-OH 3.48Å; V211-Y213 HydrophobicContact CG1-CE1 3.76Å; V211-Y213 HydrophobicContact CG1-CE2 3.9Å; V211-Y213 VanDerWaalsContact CG1-OH 3.24Å; V211-Y213 WeakPolarHBondContact CG1-OH 3.47Å; V211-Y213 VanDerWaalsContact O-CE2 3.3Å; V211-Y213 WeakPolarHBondContact O-CE2 3.16Å; V211-F239 HydrophobicContact CG1-CD2 4.31Å; V211-F239 HydrophobicContact CG2-CD2 4.23Å
212	V	60.1	Low	58.9	Low	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.3	178.2	-171.6	0	0	0	0	109.4	M162 V198 L199 V200 L220 Y223 F224	M162-V212 PolarHBondContact N-O 2.98Å; M162-V212 PolarHBondContact O-N 3.16Å; V198-V212 HydrophobicContact CB-CG1 4.1Å; V198-V212 HydrophobicContact CG2-CG1 4.18Å; L199-V212 WeakPolarHBondContact O-CA 3.05Å; V200-V212 HydrophobicContact CG1-CG2 4.41Å; V200-V212 HydrophobicContact CG2-CB 4.32Å; V200-V212 HydrophobicContact CG2-CG1 3.98Å; V200-V212 HydrophobicContact CG2-CG2 3.93Å; V212-L220 HydrophobicContact CB-CD2 4.06Å; V212-L220 HydrophobicContact CG1-CD2 3.6Å; V212-Y223 HydrophobicContact CB-CD1 4.45Å; V212-Y223 HydrophobicContact CB-CE1 4.45Å; V212-Y223 HydrophobicContact CG1-CD1 3.75Å; V212-Y223 HydrophobicContact CG1-CE1 3.86Å; V212-Y223 HydrophobicContact CG2-CD1 4.06Å; V212-Y223 HydrophobicContact CG2-CE1 3.75Å; V212-F224 HydrophobicContact CB-CE1 3.96Å; V212-F224 HydrophobicContact CB-CE2 4.17Å; V212-F224 HydrophobicContact CB-CZ 3.43Å; V212-F224 VanDerWaalsContact CB-CZ 3.43Å; V212-F224 HydrophobicContact CG1-CZ 4.32Å; V212-F224 HydrophobicContact CG2-CD1 4.34Å; V212-F224 HydrophobicContact CG2-CE1 3.26Å; V212-F224 HydrophobicContact CG2-CE2 4.37Å; V212-F224 HydrophobicContact CG2-CZ 3.3Å
213	Y	57.4	Low	59.4	Low	9 Å²	9	52.2 Å²	52.2	4%	0.035	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.1	-175.8	-53.8	-87.2	0	0	0	110.4	H156 C159 K161 L187 L199 Q201 V211	H156-Y213 AromaticContact CE1-CE1 3.87Å; H156-Y213 AromaticContact CE1-CE2 3.91Å; H156-Y213 AromaticContact CE1-CZ 3.33Å; H156-Y213 PolarHBondContact CE1-OH 3.3Å; H156-Y213 AromaticContact ND1-CE1 3.16Å; H156-Y213 WeakPolarHBondContact ND1-CE1 3.43Å; H156-Y213 AromaticContact ND1-CZ 3.1Å; H156-Y213 PolarHBondContact ND1-OH 3.28Å; C159-Y213 HydrophobicContact CB-CD1 4.33Å; K161-Y213 HydrophobicContact CD-CD1 4.36Å; K161-Y213 HydrophobicContact CD-CE1 3.83Å; K161-Y213 HydrophobicContact CG-CD1 3.75Å; K161-Y213 HydrophobicContact CG-CE1 3.68Å; L187-Y213 HydrophobicContact CD2-CE2 4.21Å; L199-Y213 HydrophobicContact CB-CD2 4.41Å; L199-Y213 PolarHBondContact N-O 3.39Å; L199-Y213 WeakPolarHBondContact O-CD2 3.4Å; L199-Y213 PolarHBondContact O-N 3.44Å; Q201-Y213 HydrophobicContact CB-CE2 3.72Å; Q201-Y213 PolarHBondContact OE1-OH 3.41Å; V211-Y213 HydrophobicContact CB-CE2 3.97Å; V211-Y213 WeakPolarHBondContact CB-OH 3.48Å; V211-Y213 HydrophobicContact CG1-CE1 3.76Å; V211-Y213 HydrophobicContact CG1-CE2 3.9Å; V211-Y213 VanDerWaalsContact CG1-OH 3.24Å; V211-Y213 WeakPolarHBondContact CG1-OH 3.47Å; V211-Y213 VanDerWaalsContact O-CE2 3.3Å; V211-Y213 WeakPolarHBondContact O-CE2 3.16Å
214	D	56.7	Low	60	Low	24 Å²	24	49.9 Å²	49.9	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160.3	166	-161.5	-86.4	0	0	0	110.3	E160 V198 S216 K219 L220	E160-D214 PolarHBondContact N-O 2.92Å; E160-D214 PolarHBondContact O-N 3.49Å; V198-D214 HydrophobicContact CG1-CB 4.45Å; D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact OD1-N 3.14Å; D214-K219 WeakPolarHBondContact OD2-CD 3.5Å; D214-K219 WeakPolarHBondContact OD2-CE 3.34Å; D214-K219 IonicContact OD2-NZ 3.41Å; D214-K219 PolarHBondContact OD2-NZ 3.39Å; D214-L220 HydrophobicContact CB-CD2 3.61Å; D214-L220 HydrophobicContact CB-CG 3.82Å
215	R	52	Low	60.8	Low	177 Å²	177	51.6 Å²	51.6	67%	0.668	25%	0.245	S	C	*	.	S	Bend	trans	-76.3	-18.5	174.5	-67.1	-176.8	176.1	-173.3	-3.9	112.7
216	S	58.4	Low	61.5	Low	47 Å²	47	53.1 Å²	53.1	33%	0.329	25%	0.252	S	S	.	.			trans	-108.7	112.7	-179.1	173.2	0	0	0	0	111.9	D214 Q218 K219 L220	D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact OD1-N 3.14Å; S216-Q218 PolarHBondContact O-N 3.4Å; S216-Q218 PolarHBondContact OG-N 2.99Å; S216-K219 WeakPolarHBondContact O-CB 3.49Å; S216-K219 PolarHBondContact O-N 2.89Å; S216-K219 VanDerWaalsContact O-N 3.1Å; S216-K219 PolarHBondContact OG-N 3.18Å; S216-K219 VanDerWaalsContact OG-N 3.15Å; S216-L220 PolarHBondContact O-N 2.95Å
217	L	60.5	Low	62.1	Low	68 Å²	68	47.3 Å²	47.3	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-35.1	172.5	-176.4	65.7	0	0	0	112.5	M162 L220 R221	M162-L217 HydrophobicContact SD-CD1 4.02Å; L217-L220 PolarHBondContact O-N 2.93Å; L217-R221 WeakPolarHBondContact O-CG 3.32Å; L217-R221 PolarHBondContact O-N 2.81Å
218	Q	66.1	Low	62.6	Low	132 Å²	132	49.3 Å²	49.3	62%	0.617	24%	0.239	S	C	*	.	H	α-helix	trans	-65.5	-42.5	176.4	-176	-178.6	7.3	0	0	111.1	S216 R221 Q222	S216-Q218 PolarHBondContact O-N 3.4Å; S216-Q218 PolarHBondContact OG-N 2.99Å; Q218-R221 PolarHBondContact O-N 2.76Å; Q218-Q222 WeakPolarHBondContact O-CG 3.46Å; Q218-Q222 PolarHBondContact O-N 3.44Å
219	K	63.4	Low	63.1	Low	32 Å²	32	52.2 Å²	52.2	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-40.2	177.2	-178.3	176.3	152.6	-170.8	0	111.4	L195 T197 D214 S216 Q222 Y223	L195-K219 HydrophobicContact CB-CG 4.4Å; L195-K219 HydrophobicContact CD2-CG 4.46Å; L195-K219 WeakPolarHBondContact O-CD 3.42Å; L195-K219 WeakPolarHBondContact O-CE 3.26Å; L195-K219 PolarHBondContact O-NZ 2.84Å; T197-K219 PolarHBondContact O-NZ 3.02Å; D214-K219 WeakPolarHBondContact OD2-CD 3.5Å; D214-K219 WeakPolarHBondContact OD2-CE 3.34Å; D214-K219 IonicContact OD2-NZ 3.41Å; D214-K219 PolarHBondContact OD2-NZ 3.39Å; S216-K219 WeakPolarHBondContact O-CB 3.49Å; S216-K219 PolarHBondContact O-N 2.89Å; S216-K219 VanDerWaalsContact O-N 3.1Å; S216-K219 PolarHBondContact OG-N 3.18Å; S216-K219 VanDerWaalsContact OG-N 3.15Å; K219-Q222 PolarHBondContact O-N 3.05Å; K219-Y223 WeakPolarHBondContact O-CB 2.98Å; K219-Y223 PolarHBondContact O-N 3.44Å
220	L	63.1	Low	63.5	Low	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.4	-55.4	171.3	-73.8	178.4	0	0	0	110.3	E160 M162 V212 D214 S216 L217 Q222 Y223 F224	E160-L220 HydrophobicContact CB-CD1 3.88Å; M162-L220 HydrophobicContact CG-CD1 4.26Å; M162-L220 HydrophobicContact SD-CB 3.8Å; M162-L220 HydrophobicContact SD-CD1 4.42Å; V212-L220 HydrophobicContact CB-CD2 4.06Å; V212-L220 HydrophobicContact CG1-CD2 3.6Å; D214-L220 HydrophobicContact CB-CD2 3.61Å; D214-L220 HydrophobicContact CB-CG 3.82Å; S216-L220 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 2.93Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 3.39Å; L220-Y223 WeakPolarHBondContact O-CB 2.94Å; L220-Y223 PolarHBondContact O-N 2.94Å; L220-F224 VanDerWaalsContact C-CD2 3.42Å; L220-F224 HydrophobicContact CB-CD2 4.33Å; L220-F224 HydrophobicContact CB-CE2 4Å; L220-F224 HydrophobicContact CD2-CE2 4.34Å; L220-F224 WeakPolarHBondContact O-CD2 3.47Å; L220-F224 WeakPolarHBondContact O-CG 3.25Å; L220-F224 PolarHBondContact O-N 2.54Å
221	R	68.4	Low	63.9	Low	147 Å²	147	57.2 Å²	57.2	56%	0.555	30%	0.302	S	S	*	.	H	α-helix	trans	-55.2	-45.5	178.7	-72.7	176.3	-179.5	-176.5	-0.3	112.9	M162 L217 Q218 Y223 F224 E225	M162-R221 HydrophobicContact SD-CG 4.31Å; L217-R221 WeakPolarHBondContact O-CG 3.32Å; L217-R221 PolarHBondContact O-N 2.81Å; Q218-R221 PolarHBondContact O-N 2.76Å; R221-Y223 PolarHBondContact O-N 3.43Å; R221-F224 PolarHBondContact O-N 3.05Å; R221-F224 VanDerWaalsContact O-N 3.16Å; R221-E225 WeakPolarHBondContact O-CG 2.93Å; R221-E225 PolarHBondContact O-N 3.35Å
222	Q	67.9	Low	64.4	Low	72 Å²	72	62.8 Å²	62.8	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.3	-73	174.6	-13.6	0	0	112.4	L195 Q218 K219 L220 F224 E225 V226	L195-Q222 HydrophobicContact CD1-CB 3.78Å; L195-Q222 HydrophobicContact CD2-CB 3.96Å; Q218-Q222 WeakPolarHBondContact O-CG 3.46Å; Q218-Q222 PolarHBondContact O-N 3.44Å; K219-Q222 PolarHBondContact O-N 3.05Å; L220-Q222 VanDerWaalsContact C-N 3.34Å; L220-Q222 PolarHBondContact O-N 3.39Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.98Å; Q222-E225 PolarHBondContact O-N 3.1Å; Q222-V226 WeakPolarHBondContact O-CG2 3.36Å; Q222-V226 PolarHBondContact O-N 3.22Å; Q222-V226 VanDerWaalsContact O-N 3.11Å
223	Y	67.9	Low	64.5	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-42.3	174.4	178.3	-100.2	0	0	0	110.6	C190 L192 V198 V200 V212 K219 L220 R221 V226 L227	C190-Y223 HydrophobicContact CB-CE2 4.08Å; C190-Y223 PolarHBondContact SG-OH 3.39Å; C190-Y223 VanDerWaalsContact SG-OH 3.35Å; L192-Y223 HydrophobicContact CD1-CD2 3.27Å; L192-Y223 HydrophobicContact CD1-CE2 3.55Å; L192-Y223 HydrophobicContact CD1-CG 4.41Å; L192-Y223 HydrophobicContact CD2-CE2 4.4Å; L192-Y223 HydrophobicContact CG-CD2 3.95Å; L192-Y223 HydrophobicContact CG-CE2 3.83Å; V198-Y223 HydrophobicContact CG1-CD2 4.44Å; V198-Y223 HydrophobicContact CG2-CD1 4.32Å; V198-Y223 HydrophobicContact CG2-CD2 3.58Å; V198-Y223 HydrophobicContact CG2-CE1 4.13Å; V198-Y223 HydrophobicContact CG2-CE2 3.44Å; V198-Y223 VanDerWaalsContact CG2-CE2 3.44Å; V198-Y223 HydrophobicContact CG2-CG 4.07Å; V200-Y223 HydrophobicContact CG2-CE1 4.23Å; V212-Y223 HydrophobicContact CB-CD1 4.45Å; V212-Y223 HydrophobicContact CB-CE1 4.45Å; V212-Y223 HydrophobicContact CG1-CD1 3.75Å; V212-Y223 HydrophobicContact CG1-CE1 3.86Å; V212-Y223 HydrophobicContact CG2-CD1 4.06Å; V212-Y223 HydrophobicContact CG2-CE1 3.75Å; K219-Y223 WeakPolarHBondContact O-CB 2.98Å; K219-Y223 PolarHBondContact O-N 3.44Å; L220-Y223 WeakPolarHBondContact O-CB 2.94Å; L220-Y223 PolarHBondContact O-N 2.94Å; R221-Y223 PolarHBondContact O-N 3.43Å; Y223-V226 PolarHBondContact O-N 2.93Å; Y223-L227 HydrophobicContact CD1-CD1 3.83Å; Y223-L227 HydrophobicContact CD1-CG 4.08Å; Y223-L227 HydrophobicContact CE1-CD1 3.17Å; Y223-L227 HydrophobicContact CE1-CD2 4.27Å; Y223-L227 HydrophobicContact CE1-CG 3.68Å; Y223-L227 HydrophobicContact CE2-CD2 4.4Å; Y223-L227 HydrophobicContact CE2-CG 4.42Å; Y223-L227 WeakPolarHBondContact O-CG 3.16Å; Y223-L227 PolarHBondContact O-N 3.31Å
224	F	68.2	Low	64.8	Low	9 Å²	9	67.8 Å²	67.8	4%	0.039	36%	0.36	C	S	.	.	H	α-helix	trans	-71.1	-35.8	178.7	-66.9	-57	0	0	0	114.6	M162 I164 V212 L220 R221 Q222 V226 L227 A228	M162-F224 HydrophobicContact CB-CD2 4.21Å; M162-F224 HydrophobicContact CB-CE2 3.18Å; M162-F224 HydrophobicContact CB-CZ 3.35Å; M162-F224 HydrophobicContact CE-CD2 3.11Å; M162-F224 HydrophobicContact CE-CE2 3.3Å; M162-F224 HydrophobicContact CE-CG 4.01Å; M162-F224 HydrophobicContact CE-CZ 4.16Å; M162-F224 HydrophobicContact CG-CE2 3.84Å; M162-F224 HydrophobicContact CG-CZ 4.46Å; M162-F224 HydrophobicContact SD-CD2 3.64Å; M162-F224 HydrophobicContact SD-CE2 3.44Å; M162-F224 WeakPolarHBondContact SD-CE2 3.16Å; I164-F224 HydrophobicContact CB-CE1 4.46Å; I164-F224 HydrophobicContact CD1-CD1 3.08Å; I164-F224 HydrophobicContact CD1-CE1 3.38Å; I164-F224 HydrophobicContact CD1-CG 4.16Å; I164-F224 HydrophobicContact CG1-CD1 3.63Å; I164-F224 HydrophobicContact CG1-CE1 3.52Å; V212-F224 HydrophobicContact CB-CE1 3.96Å; V212-F224 HydrophobicContact CB-CE2 4.17Å; V212-F224 HydrophobicContact CB-CZ 3.43Å; V212-F224 VanDerWaalsContact CB-CZ 3.43Å; V212-F224 HydrophobicContact CG1-CZ 4.32Å; V212-F224 HydrophobicContact CG2-CD1 4.34Å; V212-F224 HydrophobicContact CG2-CE1 3.26Å; V212-F224 HydrophobicContact CG2-CE2 4.37Å; V212-F224 HydrophobicContact CG2-CZ 3.3Å; L220-F224 VanDerWaalsContact C-CD2 3.42Å; L220-F224 HydrophobicContact CB-CD2 4.33Å; L220-F224 HydrophobicContact CB-CE2 4Å; L220-F224 HydrophobicContact CD2-CE2 4.34Å; L220-F224 WeakPolarHBondContact O-CD2 3.47Å; L220-F224 WeakPolarHBondContact O-CG 3.25Å; L220-F224 PolarHBondContact O-N 2.54Å; R221-F224 PolarHBondContact O-N 3.05Å; R221-F224 VanDerWaalsContact O-N 3.16Å; Q222-F224 VanDerWaalsContact C-N 3.27Å; Q222-F224 PolarHBondContact O-N 2.98Å; F224-V226 VanDerWaalsContact C-N 3.28Å; F224-V226 PolarHBondContact O-N 3.28Å; F224-L227 HydrophobicContact CD1-CD1 4.29Å; F224-L227 PolarHBondContact O-N 3.48Å; F224-A228 WeakPolarHBondContact O-CB 3.32Å; F224-A228 PolarHBondContact O-N 3.34Å
225	E	68.2	Low	65.1	Low	143 Å²	143	69.2 Å²	69.2	67%	0.668	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-41.4	171	-74.3	171.4	-176.4	0	0	111.1	R221 Q222 G229	R221-E225 WeakPolarHBondContact O-CG 2.93Å; R221-E225 PolarHBondContact O-N 3.35Å; Q222-E225 PolarHBondContact O-N 3.1Å; E225-G229 PolarHBondContact O-N 2.94Å
226	V	68.2	Low	65.7	Low	72 Å²	72	63.8 Å²	63.8	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-45	174.8	174.7	0	0	0	0	111	L192 Q222 Y223 F224 G229	L192-V226 HydrophobicContact CD1-CG1 4.26Å; Q222-V226 WeakPolarHBondContact O-CG2 3.36Å; Q222-V226 PolarHBondContact O-N 3.22Å; Q222-V226 VanDerWaalsContact O-N 3.11Å; Y223-V226 PolarHBondContact O-N 2.93Å; F224-V226 VanDerWaalsContact C-N 3.28Å; F224-V226 PolarHBondContact O-N 3.28Å; V226-G229 PolarHBondContact O-N 3.39Å
227	L	67.8	Low	65.9	Low	9 Å²	9	65.5 Å²	65.5	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-44.1	177.7	-74.3	-168.5	0	0	0	112.1	I164 Y223 F224 G229 V230 M231	I164-L227 HydrophobicContact CD1-CB 4.48Å; I164-L227 HydrophobicContact CD1-CD1 4.1Å; Y223-L227 HydrophobicContact CD1-CD1 3.83Å; Y223-L227 HydrophobicContact CD1-CG 4.08Å; Y223-L227 HydrophobicContact CE1-CD1 3.17Å; Y223-L227 HydrophobicContact CE1-CD2 4.27Å; Y223-L227 HydrophobicContact CE1-CG 3.68Å; Y223-L227 HydrophobicContact CE2-CD2 4.4Å; Y223-L227 HydrophobicContact CE2-CG 4.42Å; Y223-L227 WeakPolarHBondContact O-CG 3.16Å; Y223-L227 PolarHBondContact O-N 3.31Å; F224-L227 HydrophobicContact CD1-CD1 4.29Å; F224-L227 PolarHBondContact O-N 3.48Å; L227-G229 PolarHBondContact O-N 3.32Å; L227-G229 VanDerWaalsContact O-N 3.16Å; L227-V230 CarbonylContact O-C 3.56Å; L227-V230 WeakPolarHBondContact O-CA 3.45Å; L227-V230 PolarHBondContact O-N 2.97Å; L227-M231 HydrophobicContact CB-CE 4.15Å; L227-M231 HydrophobicContact CB-SD 4.28Å; L227-M231 HydrophobicContact CD1-CE 4.11Å; L227-M231 HydrophobicContact CD1-SD 4.34Å; L227-M231 HydrophobicContact CD2-CE 3.7Å; L227-M231 HydrophobicContact CG-CE 4.2Å; L227-M231 WeakPolarHBondContact O-CG 3.24Å; L227-M231 PolarHBondContact O-N 3.01Å
228	A	67.8	Low	65.8	Low	57 Å²	57	67.4 Å²	67.4	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-24.6	178.5	0	0	0	0	0	113	F224 V230 V233	F224-A228 WeakPolarHBondContact O-CB 3.32Å; F224-A228 PolarHBondContact O-N 3.34Å; A228-V230 VanDerWaalsContact C-N 3.29Å; A228-V233 HydrophobicContact CB-CG2 4.14Å
229	G	66.7	Low	65.1	Low	72 Å²	72	63.3 Å²	63.3	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-17.4	170.8	0	0	0	0	0	114.5	E225 V226 L227	E225-G229 PolarHBondContact O-N 2.94Å; V226-G229 PolarHBondContact O-N 3.39Å; L227-G229 PolarHBondContact O-N 3.32Å; L227-G229 VanDerWaalsContact O-N 3.16Å
230	V	67.1	Low	64.5	Low	113 Å²	113	64.1 Å²	64.1	69%	0.685	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-28.8	-175.5	-175	0	0	0	0	112.3	L227 A228	L227-V230 CarbonylContact O-C 3.56Å; L227-V230 WeakPolarHBondContact O-CA 3.45Å; L227-V230 PolarHBondContact O-N 2.97Å; A228-V230 VanDerWaalsContact C-N 3.29Å
231	M	67.2	Low	63.7	Low	18 Å²	18	68.6 Å²	68.6	9%	0.089	37%	0.374	C	S	.	.	S	Bend	trans	-130.6	149.5	-179.4	72.9	-172.6	59.6	0	0	111.7	I166 L178 L210 L227 V233	I166-M231 HydrophobicContact CD1-SD 4.15Å; I166-M231 HydrophobicContact CG1-SD 4.28Å; L178-M231 HydrophobicContact CD2-CE 3.71Å; L210-M231 HydrophobicContact CD1-SD 4.28Å; L227-M231 HydrophobicContact CB-CE 4.15Å; L227-M231 HydrophobicContact CB-SD 4.28Å; L227-M231 HydrophobicContact CD1-CE 4.11Å; L227-M231 HydrophobicContact CD1-SD 4.34Å; L227-M231 HydrophobicContact CD2-CE 3.7Å; L227-M231 HydrophobicContact CG-CE 4.2Å; L227-M231 WeakPolarHBondContact O-CG 3.24Å; L227-M231 PolarHBondContact O-N 3.01Å; M231-V233 HydrophobicContact CG-CG2 3.74Å; M231-V233 PolarHBondContact O-N 3.05Å; M231-V233 HydrophobicContact SD-CG2 4.35Å
232	Q	68.3	Low	62.7	Low	117 Å²	117	67 Å²	67	55%	0.547	37%	0.372	S	S	.	.			trans	-75.7	98.3	172.8	-169.4	178.6	-9	0	0	109.7	D167	D167-Q232 HydrophobicContact CB-CB 4.49Å; D167-Q232 HydrophobicContact CB-CG 4.37Å; D167-Q232 PolarHBondContact N-O 3.48Å; D167-Q232 PolarHBondContact OD2-NE2 2.82Å
233	V	63.2	Low	61.7	Low	40 Å²	40	63.6 Å²	63.6	24%	0.242	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.7	173.7	174.3	0	0	0	0	108.3	I164 A228 M231 E235 C236	I164-V233 HydrophobicContact CD1-CG1 4.18Å; I164-V233 HydrophobicContact CD1-CG2 3.73Å; I164-V233 HydrophobicContact CG1-CG1 3.98Å; I164-V233 HydrophobicContact CG1-CG2 4.38Å; I164-V233 HydrophobicContact CG2-CB 4.45Å; I164-V233 HydrophobicContact CG2-CG1 4Å; I164-V233 HydrophobicContact CG2-CG2 4.04Å; A228-V233 HydrophobicContact CB-CG2 4.14Å; M231-V233 HydrophobicContact CG-CG2 3.74Å; M231-V233 PolarHBondContact O-N 3.05Å; M231-V233 HydrophobicContact SD-CG2 4.35Å; V233-E235 VanDerWaalsContact CG1-O 3.28Å; V233-E235 WeakPolarHBondContact CG1-O 3.49Å; V233-C236 HydrophobicContact CG1-CB 3.97Å
234	T	62.9	Low	60.7	Low	75 Å²	75	68.6 Å²	68.6	46%	0.46	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-25.1	176.4	52.3	0	0	0	0	111.9	R165 D167	R165-T234 PolarHBondContact O-N 3.29Å; R165-T234 PolarHBondContact O-OG1 3.22Å; R165-T234 VanDerWaalsContact O-OG1 3.04Å; D167-T234 HydrophobicContact CB-CG2 3.61Å
235	E	62.7	Low	59.8	Low	53 Å²	53	71.3 Å²	71.3	25%	0.248	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	138.1	-178.5	-163.4	-175	150.5	0	0	110.1	I164 R165 V233 R237	I164-E235 VanDerWaalsContact CA-O 3.25Å; I164-E235 WeakPolarHBondContact CA-O 3.43Å; R165-E235 HydrophobicContact CB-CB 3.61Å; R165-E235 PolarHBondContact N-O 3Å; R165-E235 PolarHBondContact O-N 3.49Å; V233-E235 VanDerWaalsContact CG1-O 3.28Å; V233-E235 WeakPolarHBondContact CG1-O 3.49Å; E235-R237 VanDerWaalsContact OE1-CD 3.26Å; E235-R237 WeakPolarHBondContact OE1-CD 3.44Å; E235-R237 IonicContact OE1-CZ 2.73Å; E235-R237 IonicContact OE1-NE 2.76Å; E235-R237 PolarHBondContact OE1-NE 2.81Å; E235-R237 IonicContact OE1-NH2 3.56Å
236	C	66	Low	59.3	Low	63 Å²	63	69.2 Å²	69.2	43%	0.426	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	104.3	173.6	-174.6	0	0	0	0	109	M162 I163 I164 V233	M162-C236 WeakPolarHBondContact CE-SG 2.87Å; I163-C236 WeakPolarHBondContact O-CA 3.16Å; I164-C236 HydrophobicContact CG1-CB 4.36Å; V233-C236 HydrophobicContact CG1-CB 3.97Å
237	R	62.2	Low	58.8	Low	84 Å²	84	68.9 Å²	68.9	32%	0.317	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	165.7	-179.6	64	170.7	169.8	161.1	-1.2	112.5	M162 I163 E235 E246	M162-R237 CarbonylContact C-O 3.43Å; M162-R237 WeakPolarHBondContact CA-O 3.37Å; I163-R237 PolarHBondContact N-O 3.09Å; I163-R237 PolarHBondContact O-N 3.48Å; I163-R237 VanDerWaalsContact O-N 3.07Å; E235-R237 VanDerWaalsContact OE1-CD 3.26Å; E235-R237 WeakPolarHBondContact OE1-CD 3.44Å; E235-R237 IonicContact OE1-CZ 2.73Å; E235-R237 IonicContact OE1-NE 2.76Å; E235-R237 PolarHBondContact OE1-NE 2.81Å; E235-R237 IonicContact OE1-NH2 3.56Å; R237-E246 IonicContact NH1-OE2 2.66Å; R237-E246 IonicContact NH2-OE2 2.73Å
238	K	59.4	Low	58.1	Low	108 Å²	108	71.3 Å²	71.3	47%	0.47	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.5	170	-178.7	168.5	171.4	149.3	0	108.9	E160 T240	E160-K238 IonicContact OE1-NZ 3.18Å; E160-K238 WeakPolarHBondContact OE2-CE 2.86Å; E160-K238 IonicContact OE2-NZ 2.73Å; E160-K238 PolarHBondContact OE2-NZ 3.23Å; K238-T240 HydrophobicContact CB-CG2 4.47Å; K238-T240 HydrophobicContact CG-CG2 4.17Å; K238-T240 PolarHBondContact O-N 3.33Å
239	F	50.4	Low	57.7	Low	46 Å²	46	70.1 Å²	70.1	20%	0.202	38%	0.38	C	S	.	.			trans	-71.9	121.1	169.7	-173.9	-75.8	0	0	0	107.6	K161 I163 V211 E244	K161-F239 HydrophobicContact CB-CB 3.52Å; K161-F239 HydrophobicContact CB-CG 4.3Å; K161-F239 HydrophobicContact CD-CB 4.35Å; K161-F239 HydrophobicContact CD-CD1 4.06Å; K161-F239 HydrophobicContact CD-CG 4.27Å; K161-F239 PolarHBondContact O-N 3.5Å; I163-F239 HydrophobicContact CD1-CB 3.87Å; I163-F239 HydrophobicContact CD1-CD2 3.16Å; I163-F239 HydrophobicContact CD1-CE2 3.85Å; I163-F239 HydrophobicContact CD1-CG 3.78Å; I163-F239 HydrophobicContact CG1-CB 3.56Å; I163-F239 HydrophobicContact CG1-CD2 3.42Å; I163-F239 VanDerWaalsContact CG1-CD2 3.42Å; I163-F239 HydrophobicContact CG1-CE2 4.45Å; I163-F239 HydrophobicContact CG1-CG 3.91Å; V211-F239 HydrophobicContact CG1-CD2 4.31Å; V211-F239 HydrophobicContact CG2-CD2 4.23Å; F239-E244 HydrophobicContact CZ-CB 4.15Å
240	T	50.1	Low	58	Low	48 Å²	48	69.5 Å²	69.5	29%	0.294	37%	0.369	S	S	.	.			trans	-125.9	156.6	173	78	0	0	0	0	109.4	K238 E242 A243 E244	K238-T240 HydrophobicContact CB-CG2 4.47Å; K238-T240 HydrophobicContact CG-CG2 4.17Å; K238-T240 PolarHBondContact O-N 3.33Å; T240-E242 WeakPolarHBondContact CB-OE2 3.35Å; T240-E242 PolarHBondContact O-N 2.97Å; T240-E242 PolarHBondContact OG1-OE2 3.06Å; T240-A243 WeakPolarHBondContact O-CB 3.45Å; T240-A243 PolarHBondContact O-N 3.08Å; T240-A243 VanDerWaalsContact O-N 3.09Å; T240-A243 PolarHBondContact OG1-N 3.14Å; T240-E244 PolarHBondContact O-N 3.13Å
241	V	47.1	Very low	58.1	Low	94 Å²	94	66.6 Å²	66.6	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-34.4	179.5	175.5	0	0	0	0	110.4	A243 E244 L245	V241-A243 VanDerWaalsContact C-N 3.29Å; V241-A243 PolarHBondContact O-N 3.47Å; V241-E244 PolarHBondContact O-N 2.64Å; V241-L245 HydrophobicContact CG1-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CG 4.33Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.39Å
242	E	46.7	Very low	57.8	Low	114 Å²	114	67.5 Å²	67.5	53%	0.533	36%	0.361	S	S	.	.	H	α-helix	trans	-59.4	-40	175.7	-58.1	79.7	-175	0	0	111.6	T240 E244 L245 E246	T240-E242 WeakPolarHBondContact CB-OE2 3.35Å; T240-E242 PolarHBondContact O-N 2.97Å; T240-E242 PolarHBondContact OG1-OE2 3.06Å; E242-E244 PolarHBondContact O-N 2.65Å; E242-L245 PolarHBondContact O-N 3.02Å; E242-E246 VanDerWaalsContact O-CG 3.32Å; E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3.33Å
243	A	47	Very low	58.2	Low	1 Å²	1	64.6 Å²	64.6	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-38.8	177.4	0	0	0	0	0	112.5	T240 V241 D247	T240-A243 WeakPolarHBondContact O-CB 3.45Å; T240-A243 PolarHBondContact O-N 3.08Å; T240-A243 VanDerWaalsContact O-N 3.09Å; T240-A243 PolarHBondContact OG1-N 3.14Å; V241-A243 VanDerWaalsContact C-N 3.29Å; V241-A243 PolarHBondContact O-N 3.47Å; A243-D247 PolarHBondContact O-N 3.47Å
244	E	48.2	Very low	59.2	Low	105 Å²	105	69 Å²	69	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-66.4	-41	174.7	-173.3	179.5	172	0	0	111.3	F239 T240 V241 E242 D247 V248	F239-E244 HydrophobicContact CZ-CB 4.15Å; T240-E244 PolarHBondContact O-N 3.13Å; V241-E244 PolarHBondContact O-N 2.64Å; E242-E244 PolarHBondContact O-N 2.65Å; E244-D247 PolarHBondContact O-N 3.07Å; E244-V248 HydrophobicContact CG-CG2 4.39Å; E244-V248 WeakPolarHBondContact O-CB 3.25Å; E244-V248 VanDerWaalsContact O-CG2 3.22Å; E244-V248 WeakPolarHBondContact O-CG2 3.28Å; E244-V248 PolarHBondContact O-N 3.2Å
245	L	49.2	Very low	59.7	Low	66 Å²	66	68.1 Å²	68.1	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-44.2	177.7	-69.8	172	0	0	0	111.9	V241 E242 D247 V248 E249 L295	V241-L245 HydrophobicContact CG1-CD1 4.06Å; V241-L245 HydrophobicContact CG1-CG 4.33Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.39Å; E242-L245 PolarHBondContact O-N 3.02Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.13Å; L245-V248 PolarHBondContact O-N 3.14Å; L245-E249 WeakPolarHBondContact O-CB 3.3Å; L245-E249 PolarHBondContact O-N 3.15Å; L245-L295 HydrophobicContact CD2-CD2 3.67Å
246	E	56.9	Low	60.4	Low	98 Å²	98	66.1 Å²	66.1	46%	0.458	36%	0.355	S	S	.	.	H	α-helix	trans	-55.9	-47.1	175.1	-75.7	171.4	176.6	0	0	111.3	R237 E242 E249 A250	R237-E246 IonicContact NH1-OE2 2.66Å; R237-E246 IonicContact NH2-OE2 2.73Å; E242-E246 VanDerWaalsContact O-CG 3.32Å; E242-E246 WeakPolarHBondContact O-CG 3.36Å; E242-E246 PolarHBondContact O-N 3.33Å; E246-E249 PolarHBondContact O-N 3.14Å; E246-A250 WeakPolarHBondContact O-CB 3.34Å; E246-A250 PolarHBondContact O-N 2.92Å
247	D	58.1	Low	61.3	Low	66 Å²	66	65.5 Å²	65.5	35%	0.353	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-41.7	-179.6	-74.2	-24.3	0	0	0	112.2	A243 E244 L245 A250 A251	A243-D247 PolarHBondContact O-N 3.47Å; E244-D247 PolarHBondContact O-N 3.07Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.13Å; D247-A250 PolarHBondContact O-N 3.35Å; D247-A251 PolarHBondContact O-N 3.44Å; D247-A251 VanDerWaalsContact O-N 3.09Å
248	V	52.4	Low	62.4	Low	59 Å²	59	64 Å²	64	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-64.6	-41	175.6	170.5	0	0	0	0	110.8	E244 L245 A251 L252 L295	E244-V248 HydrophobicContact CG-CG2 4.39Å; E244-V248 WeakPolarHBondContact O-CB 3.25Å; E244-V248 VanDerWaalsContact O-CG2 3.22Å; E244-V248 WeakPolarHBondContact O-CG2 3.28Å; E244-V248 PolarHBondContact O-N 3.2Å; L245-V248 PolarHBondContact O-N 3.14Å; V248-A251 PolarHBondContact O-N 3.34Å; V248-L252 HydrophobicContact CG1-CD1 3.93Å; V248-L252 HydrophobicContact CG1-CG 4.44Å; V248-L252 WeakPolarHBondContact O-CB 3.47Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 2.94Å; V248-L295 HydrophobicContact CG1-CD1 3.91Å
249	E	60.8	Low	63.4	Low	32 Å²	32	59.3 Å²	59.3	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-43.6	177.3	-155.6	-154.8	151.1	0	0	111	L245 E246 A251 L252 N253 L292 R296	L245-E249 WeakPolarHBondContact O-CB 3.3Å; L245-E249 PolarHBondContact O-N 3.15Å; E246-E249 PolarHBondContact O-N 3.14Å; E249-A251 PolarHBondContact O-N 3.35Å; E249-L252 PolarHBondContact O-N 3.2Å; E249-N253 WeakPolarHBondContact O-CB 3.47Å; E249-N253 PolarHBondContact O-N 3.21Å; E249-N253 PolarHBondContact O-ND2 3.29Å; E249-N253 PolarHBondContact OE1-ND2 2.99Å; E249-L292 HydrophobicContact CG-CD2 3.63Å; E249-R296 IonicContact OE1-CZ 2.82Å; E249-R296 IonicContact OE1-NE 3.16Å; E249-R296 PolarHBondContact OE1-NE 2.83Å; E249-R296 IonicContact OE1-NH2 2.82Å; E249-R296 PolarHBondContact OE1-NH2 3.16Å
250	A	72	Confident	65.1	Low	60 Å²	60	63.7 Å²	63.7	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-47.8	176.1	0	0	0	0	0	111.9	E246 D247 L252 N253 E254	E246-A250 WeakPolarHBondContact O-CB 3.34Å; E246-A250 PolarHBondContact O-N 2.92Å; D247-A250 PolarHBondContact O-N 3.35Å; A250-L252 PolarHBondContact O-N 3.22Å; A250-N253 PolarHBondContact O-N 2.93Å; A250-E254 PolarHBondContact O-N 2.82Å
251	A	69.1	Low	67	Low	52 Å²	52	68.7 Å²	68.7	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-38.3	-179.8	0	0	0	0	0	113.4	D247 V248 E249 E254 S255	D247-A251 PolarHBondContact O-N 3.44Å; D247-A251 VanDerWaalsContact O-N 3.09Å; V248-A251 PolarHBondContact O-N 3.34Å; E249-A251 PolarHBondContact O-N 3.35Å; A251-E254 PolarHBondContact O-N 3.15Å; A251-S255 WeakPolarHBondContact O-CB 3.36Å; A251-S255 PolarHBondContact O-N 3.47Å; A251-S255 PolarHBondContact O-OG 2.87Å
252	L	62.1	Low	68.9	Low	37 Å²	37	66.5 Å²	66.5	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-40.6	176.1	-74.4	171.4	0	0	0	111.8	V248 E249 A250 E254 S255 L256 I288 C291 L292 L295	V248-L252 HydrophobicContact CG1-CD1 3.93Å; V248-L252 HydrophobicContact CG1-CG 4.44Å; V248-L252 WeakPolarHBondContact O-CB 3.47Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 2.94Å; E249-L252 PolarHBondContact O-N 3.2Å; A250-L252 PolarHBondContact O-N 3.22Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 3.4Å; L252-S255 PolarHBondContact O-N 3.04Å; L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 PolarHBondContact O-N 3.35Å; L252-I288 HydrophobicContact CB-CG2 4.23Å; L252-I288 HydrophobicContact CD2-CG2 4.15Å; L252-I288 VanDerWaalsContact O-CG2 3.24Å; L252-I288 WeakPolarHBondContact O-CG2 3.14Å; L252-C291 HydrophobicContact CD1-CB 4.07Å; L252-L292 HydrophobicContact CB-CD1 4.26Å; L252-L292 HydrophobicContact CB-CD2 3.54Å; L252-L292 HydrophobicContact CB-CG 3.76Å; L252-L292 HydrophobicContact CD1-CD2 4.26Å; L252-L292 HydrophobicContact CD1-CG 4.41Å; L252-L295 HydrophobicContact CD1-CD1 3.35Å
253	N	76.8	Confident	70.7	Confident	56 Å²	56	62.6 Å²	62.6	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-41.7	175.1	-78.4	-59.2	0	0	0	111.3	E249 A250 L256 S257 L292 R296	E249-N253 WeakPolarHBondContact O-CB 3.47Å; E249-N253 PolarHBondContact O-N 3.21Å; E249-N253 PolarHBondContact O-ND2 3.29Å; E249-N253 PolarHBondContact OE1-ND2 2.99Å; A250-N253 PolarHBondContact O-N 2.93Å; N253-L256 PolarHBondContact O-N 3.1Å; N253-S257 PolarHBondContact O-N 3.37Å; N253-S257 VanDerWaalsContact O-N 3.08Å; N253-L292 WeakPolarHBondContact OD1-CD1 3.46Å; N253-R296 PolarHBondContact ND2-NH2 3.25Å; N253-R296 PolarHBondContact OD1-NH2 2.95Å; N253-R296 VanDerWaalsContact OD1-NH2 3.14Å
254	E	84.1	Confident	72.6	Confident	133 Å²	133	68.6 Å²	68.6	62%	0.621	36%	0.356	S	S	*	.	H	α-helix	trans	-61.4	-48.4	174.5	-174.5	175.5	-168.4	0	0	111.5	A250 A251 L252 L256 S257 V258	A250-E254 PolarHBondContact O-N 2.82Å; A251-E254 PolarHBondContact O-N 3.15Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 3.4Å; E254-L256 VanDerWaalsContact C-N 3.29Å; E254-L256 PolarHBondContact O-N 2.94Å; E254-S257 WeakPolarHBondContact O-CB 3.22Å; E254-S257 PolarHBondContact O-N 2.96Å; E254-S257 VanDerWaalsContact O-N 3.08Å; E254-S257 PolarHBondContact O-OG 3.45Å; E254-V258 PolarHBondContact O-N 2.96Å; E254-V258 VanDerWaalsContact O-N 3.13Å
255	S	72.2	Confident	74.5	Confident	55 Å²	55	67.3 Å²	67.3	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-38.3	178.2	-62.6	0	0	0	0	112.6	A251 L252 V258 C259	A251-S255 WeakPolarHBondContact O-CB 3.36Å; A251-S255 PolarHBondContact O-N 3.47Å; A251-S255 PolarHBondContact O-OG 2.87Å; L252-S255 PolarHBondContact O-N 3.04Å; S255-V258 PolarHBondContact O-N 2.73Å; S255-C259 PolarHBondContact O-N 2.89Å; S255-C259 VanDerWaalsContact O-N 3.1Å; S255-C259 PolarHBondContact O-SG 3.31Å; S255-C259 VanDerWaalsContact O-SG 3.34Å
256	L	77.4	Confident	76.2	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-40.2	175.6	-174.7	58.4	0	0	0	111.7	L252 N253 E254 V258 C259 R260 A285 I288 S289 L292	L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 PolarHBondContact O-N 3.35Å; N253-L256 PolarHBondContact O-N 3.1Å; E254-L256 VanDerWaalsContact C-N 3.29Å; E254-L256 PolarHBondContact O-N 2.94Å; L256-V258 VanDerWaalsContact C-N 3.31Å; L256-V258 PolarHBondContact O-N 3.07Å; L256-C259 PolarHBondContact O-N 3.32Å; L256-R260 WeakPolarHBondContact O-CG 3.36Å; L256-R260 PolarHBondContact O-N 3.36Å; L256-A285 HydrophobicContact CD1-CB 3.9Å; L256-A285 WeakPolarHBondContact CD1-O 3.49Å; L256-I288 HydrophobicContact CB-CG2 3.75Å; L256-I288 HydrophobicContact CD1-CB 4.35Å; L256-I288 HydrophobicContact CD1-CG2 4.37Å; L256-S289 WeakPolarHBondContact CD1-OG 3.08Å; L256-L292 HydrophobicContact CB-CD1 4.46Å; L256-L292 HydrophobicContact CD2-CD1 3.87Å
257	S	85.8	Confident	77.4	Confident	51 Å²	51	65.1 Å²	65.1	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-38.4	177.4	83.7	0	0	0	0	112	N253 E254 R260 R261	N253-S257 PolarHBondContact O-N 3.37Å; N253-S257 VanDerWaalsContact O-N 3.08Å; E254-S257 WeakPolarHBondContact O-CB 3.22Å; E254-S257 PolarHBondContact O-N 2.96Å; E254-S257 VanDerWaalsContact O-N 3.08Å; E254-S257 PolarHBondContact O-OG 3.45Å; S257-R260 PolarHBondContact O-N 2.92Å; S257-R261 WeakPolarHBondContact O-CG 3.3Å; S257-R261 PolarHBondContact O-N 3.34Å; S257-R261 VanDerWaalsContact O-N 3.14Å
258	V	85.6	Confident	78.6	Confident	53 Å²	53	68.3 Å²	68.3	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-48.5	174.8	175.2	0	0	0	0	110.1	E254 S255 L256 R260 R261 D262	E254-V258 PolarHBondContact O-N 2.96Å; E254-V258 VanDerWaalsContact O-N 3.13Å; S255-V258 PolarHBondContact O-N 2.73Å; L256-V258 VanDerWaalsContact C-N 3.31Å; L256-V258 PolarHBondContact O-N 3.07Å; V258-R260 VanDerWaalsContact C-N 3.27Å; V258-R260 PolarHBondContact O-N 3.24Å; V258-R261 PolarHBondContact O-N 3.02Å; V258-D262 PolarHBondContact O-N 3.48Å
259	C	79.2	Confident	79.9	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-40.6	178.9	-67.3	0	0	0	0	112.1	S255 L256 D262 M263 A285	S255-C259 PolarHBondContact O-N 2.89Å; S255-C259 VanDerWaalsContact O-N 3.1Å; S255-C259 PolarHBondContact O-SG 3.31Å; S255-C259 VanDerWaalsContact O-SG 3.34Å; L256-C259 PolarHBondContact O-N 3.32Å; C259-D262 PolarHBondContact O-N 3.16Å; C259-M263 WeakPolarHBondContact O-CE 3.29Å; C259-M263 VanDerWaalsContact O-CG 3.24Å; C259-M263 WeakPolarHBondContact O-CG 3.46Å; C259-M263 PolarHBondContact O-N 3.46Å; C259-A285 HydrophobicContact CB-CB 3.95Å
260	R	87.3	Confident	80.1	Confident	138 Å²	138	75.1 Å²	75.1	52%	0.521	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-46.8	177.7	-72.3	177.9	179.8	173.1	0.9	112.4	L256 S257 V258 D262 M263 E264	L256-R260 WeakPolarHBondContact O-CG 3.36Å; L256-R260 PolarHBondContact O-N 3.36Å; S257-R260 PolarHBondContact O-N 2.92Å; V258-R260 VanDerWaalsContact C-N 3.27Å; V258-R260 PolarHBondContact O-N 3.24Å; R260-D262 VanDerWaalsContact C-N 3.34Å; R260-D262 PolarHBondContact O-N 3.09Å; R260-M263 HydrophobicContact CG-CE 4.14Å; R260-M263 PolarHBondContact O-N 3.29Å; R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3Å
261	R	90	Very high	79.8	Confident	152 Å²	152	74.1 Å²	74.1	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-60.1	-43.2	176.1	-74.4	-173.5	-70.4	154.6	-7	112.2	S257 V258 E264 S265	S257-R261 WeakPolarHBondContact O-CG 3.3Å; S257-R261 PolarHBondContact O-N 3.34Å; S257-R261 VanDerWaalsContact O-N 3.14Å; V258-R261 PolarHBondContact O-N 3.02Å; R261-E264 PolarHBondContact O-N 3.19Å; R261-S265 WeakPolarHBondContact O-CB 3.01Å; R261-S265 PolarHBondContact O-N 2.88Å
262	D	87	Confident	79.5	Confident	49 Å²	49	77.9 Å²	77.9	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-45	177.5	-77.3	7	0	0	0	111.2	V258 C259 R260 S265 I266 R281	V258-D262 PolarHBondContact O-N 3.48Å; C259-D262 PolarHBondContact O-N 3.16Å; R260-D262 VanDerWaalsContact C-N 3.34Å; R260-D262 PolarHBondContact O-N 3.09Å; D262-S265 WeakPolarHBondContact O-CB 3.48Å; D262-S265 PolarHBondContact O-N 3.12Å; D262-I266 WeakPolarHBondContact O-CB 2.87Å; D262-I266 WeakPolarHBondContact O-CD1 3.43Å; D262-I266 WeakPolarHBondContact O-CG1 3.43Å; D262-I266 PolarHBondContact O-N 3.15Å; D262-R281 HydrophobicContact CB-CG 4.34Å; D262-R281 IonicContact OD2-CZ 3.75Å; D262-R281 IonicContact OD2-NE 3.93Å; D262-R281 PolarHBondContact OD2-NE 3.33Å; D262-R281 IonicContact OD2-NH2 3.51Å; D262-R281 PolarHBondContact OD2-NH2 3.11Å
263	M	84.3	Confident	79.3	Confident	32 Å²	32	84 Å²	84	16%	0.158	45%	0.452	C	S	.	.	H	α-helix	trans	-61.2	-44.9	177.2	-72.4	-174.8	-66.6	0	0	112.2	C259 R260 S265 I266 V267 L278 R281 Q282 A285	C259-M263 WeakPolarHBondContact O-CE 3.29Å; C259-M263 VanDerWaalsContact O-CG 3.24Å; C259-M263 WeakPolarHBondContact O-CG 3.46Å; C259-M263 PolarHBondContact O-N 3.46Å; R260-M263 HydrophobicContact CG-CE 4.14Å; R260-M263 PolarHBondContact O-N 3.29Å; M263-S265 VanDerWaalsContact C-N 3.34Å; M263-S265 PolarHBondContact O-N 2.9Å; M263-I266 PolarHBondContact O-N 3.47Å; M263-V267 VanDerWaalsContact O-CG2 3.32Å; M263-V267 WeakPolarHBondContact O-CG2 3.46Å; M263-V267 PolarHBondContact O-N 3.4Å; M263-L278 HydrophobicContact CB-CD1 3.84Å; M263-L278 HydrophobicContact CG-CD1 3.93Å; M263-R281 HydrophobicContact CG-CB 3.52Å; M263-R281 HydrophobicContact SD-CB 4.28Å; M263-Q282 VanDerWaalsContact SD-CA 3.57Å; M263-Q282 HydrophobicContact SD-CB 4.1Å; M263-Q282 HydrophobicContact SD-CG 3.43Å; M263-Q282 WeakPolarHBondContact SD-CG 3.33Å; M263-A285 HydrophobicContact CE-CB 3.71Å; M263-A285 HydrophobicContact SD-CB 4.44Å
264	E	87	Confident	79	Confident	126 Å²	126	82.4 Å²	82.4	59%	0.589	45%	0.445	S	S	*	.	H	α-helix	trans	-60.2	-44.2	175.9	-74.4	172.7	-173.7	0	0	111.6	R260 R261 I266 V267 N268	R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3Å; R261-E264 PolarHBondContact O-N 3.19Å; E264-I266 VanDerWaalsContact C-N 3.35Å; E264-I266 PolarHBondContact O-N 2.77Å; E264-V267 PolarHBondContact O-N 2.93Å; E264-N268 WeakPolarHBondContact O-CB 3.25Å; E264-N268 PolarHBondContact O-N 2.76Å; E264-N268 VanDerWaalsContact O-N 3.08Å; E264-N268 PolarHBondContact O-ND2 2.69Å
265	S	86.7	Confident	78.7	Confident	79 Å²	79	81.8 Å²	81.8	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-59.3	-45	175.9	-175.6	0	0	0	0	112	R261 D262 M263 N268 S269	R261-S265 WeakPolarHBondContact O-CB 3.01Å; R261-S265 PolarHBondContact O-N 2.88Å; D262-S265 WeakPolarHBondContact O-CB 3.48Å; D262-S265 PolarHBondContact O-N 3.12Å; M263-S265 VanDerWaalsContact C-N 3.34Å; M263-S265 PolarHBondContact O-N 2.9Å; S265-N268 PolarHBondContact O-N 2.8Å; S265-S269 PolarHBondContact O-N 3.38Å
266	I	85.1	Confident	79.1	Confident	29 Å²	29	84.4 Å²	84.4	15%	0.149	45%	0.451	C	S	.	.	H	α-helix	trans	-65.2	-45.4	179.9	-67.6	163.7	0	0	0	111.1	D262 M263 E264 N268 S269 S274 H277 L278 R281	D262-I266 WeakPolarHBondContact O-CB 2.87Å; D262-I266 WeakPolarHBondContact O-CD1 3.43Å; D262-I266 WeakPolarHBondContact O-CG1 3.43Å; D262-I266 PolarHBondContact O-N 3.15Å; M263-I266 PolarHBondContact O-N 3.47Å; E264-I266 VanDerWaalsContact C-N 3.35Å; E264-I266 PolarHBondContact O-N 2.77Å; I266-N268 PolarHBondContact O-N 2.85Å; I266-S269 PolarHBondContact O-N 2.84Å; I266-S269 PolarHBondContact O-OG 2.66Å; I266-S274 WeakPolarHBondContact CG2-O 3.24Å; I266-H277 HydrophobicContact CD1-CB 4.14Å; I266-L278 HydrophobicContact CB-CD1 4.43Å; I266-L278 HydrophobicContact CG2-CB 3.82Å; I266-L278 HydrophobicContact CG2-CD1 4.34Å; I266-R281 HydrophobicContact CD1-CG 4.08Å
267	V	82.6	Confident	79.2	Confident	88 Å²	88	89.5 Å²	89.5	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-35.4	177.7	170.9	0	0	0	0	111.6	M263 E264 S269 L278	M263-V267 VanDerWaalsContact O-CG2 3.32Å; M263-V267 WeakPolarHBondContact O-CG2 3.46Å; M263-V267 PolarHBondContact O-N 3.4Å; E264-V267 PolarHBondContact O-N 2.93Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 PolarHBondContact O-N 2.77Å; V267-L278 HydrophobicContact CG2-CD1 3.74Å; V267-L278 HydrophobicContact CG2-CD2 3.71Å; V267-L278 HydrophobicContact CG2-CG 4.4Å
268	N	83.1	Confident	79.1	Confident	133 Å²	133	88.2 Å²	88.2	71%	0.711	46%	0.463	S	S	*	.	H	α-helix	trans	-75.1	-14.4	177.4	-69.4	-29.4	0	0	0	113.3	E264 S265 I266	E264-N268 WeakPolarHBondContact O-CB 3.25Å; E264-N268 PolarHBondContact O-N 2.76Å; E264-N268 VanDerWaalsContact O-N 3.08Å; E264-N268 PolarHBondContact O-ND2 2.69Å; S265-N268 PolarHBondContact O-N 2.8Å; I266-N268 PolarHBondContact O-N 2.85Å
269	S	79.3	Confident	79.1	Confident	60 Å²	60	93 Å²	93	42%	0.42	48%	0.475	S	S	.	.	S	Bend	trans	-91.8	109.7	175.5	72.3	0	0	0	0	110.7	S265 I266 V267 G271	S265-S269 PolarHBondContact O-N 3.38Å; I266-S269 PolarHBondContact O-N 2.84Å; I266-S269 PolarHBondContact O-OG 2.66Å; V267-S269 VanDerWaalsContact C-N 3.26Å; V267-S269 PolarHBondContact O-N 2.77Å; S269-G271 PolarHBondContact O-N 2.78Å
270	N	64.9	Low	79.1	Confident	175 Å²	175	95.9 Å²	95.9	94%	0.936	49%	0.49	S	S	*	.			trans	-69.7	29.6	-176.4	-83.7	-16.3	0	0	0	115.5
271	G	66.7	Low	78.8	Confident	38 Å²	38	94 Å²	94	39%	0.392	48%	0.483	S	S	.	.			trans	-94.6	147.1	179.4	0	0	0	0	0	113.2	S269 S274	S269-G271 PolarHBondContact O-N 2.78Å; G271-S274 WeakPolarHBondContact O-CB 3.41Å; G271-S274 PolarHBondContact O-N 2.92Å; G271-S274 PolarHBondContact O-OG 3.19Å
272	T	62.3	Low	78.3	Confident	131 Å²	131	91.2 Å²	91.2	80%	0.804	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-26.5	177.7	42.9	0	0	0	0	114	S274 L275	T272-S274 PolarHBondContact O-N 2.85Å; T272-L275 PolarHBondContact O-N 3.09Å
273	E	57.7	Low	77.9	Confident	167 Å²	167	92.1 Å²	92.1	78%	0.78	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.6	171.3	-70	-177.8	164.3	0	0	112.5	L275 H277	E273-L275 PolarHBondContact O-N 2.9Å; E273-H277 PolarHBondContact O-CD2 3.47Å
274	S	70.6	Confident	77.2	Confident	22 Å²	22	92.6 Å²	92.6	15%	0.154	49%	0.487	C	S	.	.	H	α-helix	trans	-66	-31.5	177.6	72.1	0	0	0	0	113.5	I266 G271 T272 L278	I266-S274 WeakPolarHBondContact CG2-O 3.24Å; G271-S274 WeakPolarHBondContact O-CB 3.41Å; G271-S274 PolarHBondContact O-N 2.92Å; G271-S274 PolarHBondContact O-OG 3.19Å; T272-S274 PolarHBondContact O-N 2.85Å; S274-L278 WeakPolarHBondContact O-CB 3.34Å; S274-L278 PolarHBondContact O-N 2.9Å
275	L	77.9	Confident	76.4	Confident	120 Å²	120	87 Å²	87	63%	0.628	46%	0.462	S	S	*	.	H	α-helix	trans	-71.3	-39.5	-166.9	-70.9	174.8	0	0	0	113.4	T272 E273 R279	T272-L275 PolarHBondContact O-N 3.09Å; E273-L275 PolarHBondContact O-N 2.9Å; L275-R279 WeakPolarHBondContact O-CB 3.32Å; L275-R279 PolarHBondContact O-N 3.41Å
276	Q	80	Confident	75.5	Confident	110 Å²	110	89 Å²	89	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-70.2	-45.3	178.1	-175.1	59.7	37.5	0	0	110.8	L278 R279 D280	Q276-L278 VanDerWaalsContact C-N 3.31Å; Q276-L278 PolarHBondContact O-N 3.34Å; Q276-R279 WeakPolarHBondContact O-CB 3.46Å; Q276-R279 PolarHBondContact O-N 3.06Å; Q276-R279 VanDerWaalsContact O-N 3.14Å; Q276-D280 PolarHBondContact NE2-OD1 3.43Å; Q276-D280 VanDerWaalsContact NE2-OD1 3.16Å; Q276-D280 PolarHBondContact O-N 3.4Å
277	H	79.8	Confident	74.4	Confident	118 Å²	118	96 Å²	96	55%	0.546	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-38.6	175.2	-74.8	-57.4	0	0	0	112.5	I266 E273 R279 D280 R281	I266-H277 HydrophobicContact CD1-CB 4.14Å; E273-H277 PolarHBondContact O-CD2 3.47Å; H277-R279 VanDerWaalsContact C-N 3.34Å; H277-D280 PolarHBondContact O-N 3.29Å; H277-R281 WeakPolarHBondContact O-CG 3.17Å; H277-R281 PolarHBondContact O-N 2.86Å
278	L	84.7	Confident	73.1	Confident	23 Å²	23	93 Å²	93	12%	0.12	47%	0.471	C	S	.	.	H	α-helix	trans	-60.5	-45.6	173.9	-176	61.6	0	0	0	110.9	M263 I266 V267 S274 Q276 D280 R281 Q282	M263-L278 HydrophobicContact CB-CD1 3.84Å; M263-L278 HydrophobicContact CG-CD1 3.93Å; I266-L278 HydrophobicContact CB-CD1 4.43Å; I266-L278 HydrophobicContact CG2-CB 3.82Å; I266-L278 HydrophobicContact CG2-CD1 4.34Å; V267-L278 HydrophobicContact CG2-CD1 3.74Å; V267-L278 HydrophobicContact CG2-CD2 3.71Å; V267-L278 HydrophobicContact CG2-CG 4.4Å; S274-L278 WeakPolarHBondContact O-CB 3.34Å; S274-L278 PolarHBondContact O-N 2.9Å; Q276-L278 VanDerWaalsContact C-N 3.31Å; Q276-L278 PolarHBondContact O-N 3.34Å; L278-D280 PolarHBondContact O-N 2.82Å; L278-R281 PolarHBondContact O-N 3.12Å; L278-Q282 WeakPolarHBondContact O-CB 3.11Å; L278-Q282 VanDerWaalsContact O-CG 3.31Å; L278-Q282 WeakPolarHBondContact O-CG 3.34Å; L278-Q282 PolarHBondContact O-N 3.47Å
279	R	84.4	Confident	72.1	Confident	154 Å²	154	88.8 Å²	88.8	58%	0.581	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-43.4	178.6	-170.2	177.6	-176.6	178.7	1.3	111.8	L275 Q276 H277 R281 Q282 I283	L275-R279 WeakPolarHBondContact O-CB 3.32Å; L275-R279 PolarHBondContact O-N 3.41Å; Q276-R279 WeakPolarHBondContact O-CB 3.46Å; Q276-R279 PolarHBondContact O-N 3.06Å; Q276-R279 VanDerWaalsContact O-N 3.14Å; H277-R279 VanDerWaalsContact C-N 3.34Å; R279-R281 VanDerWaalsContact C-N 3.35Å; R279-R281 PolarHBondContact O-N 3.04Å; R279-Q282 PolarHBondContact O-N 2.99Å; R279-I283 HydrophobicContact CG-CD1 4.23Å; R279-I283 WeakPolarHBondContact O-CG1 3.36Å; R279-I283 PolarHBondContact O-N 3.28Å
280	D	80.9	Confident	71.1	Confident	70 Å²	70	93.5 Å²	93.5	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-64.9	-39.5	178.9	-65.1	-20.9	0	0	0	111.8	Q276 H277 L278 I283 S284	Q276-D280 PolarHBondContact NE2-OD1 3.43Å; Q276-D280 VanDerWaalsContact NE2-OD1 3.16Å; Q276-D280 PolarHBondContact O-N 3.4Å; H277-D280 PolarHBondContact O-N 3.29Å; L278-D280 PolarHBondContact O-N 2.82Å; D280-I283 PolarHBondContact O-N 3.06Å; D280-S284 PolarHBondContact O-N 3.23Å; D280-S284 PolarHBondContact O-OG 3.46Å
281	R	79.3	Confident	70.4	Confident	99 Å²	99	88 Å²	88	37%	0.374	44%	0.436	S	S	.	.	H	α-helix	trans	-68.5	-38.6	174	-70.6	-56.5	-162.6	-160.3	5.8	112.6	D262 M263 I266 H277 L278 R279 S284 A285	D262-R281 HydrophobicContact CB-CG 4.34Å; D262-R281 IonicContact OD2-CZ 3.75Å; D262-R281 IonicContact OD2-NE 3.93Å; D262-R281 PolarHBondContact OD2-NE 3.33Å; D262-R281 IonicContact OD2-NH2 3.51Å; D262-R281 PolarHBondContact OD2-NH2 3.11Å; M263-R281 HydrophobicContact CG-CB 3.52Å; M263-R281 HydrophobicContact SD-CB 4.28Å; I266-R281 HydrophobicContact CD1-CG 4.08Å; H277-R281 WeakPolarHBondContact O-CG 3.17Å; H277-R281 PolarHBondContact O-N 2.86Å; L278-R281 PolarHBondContact O-N 3.12Å; R279-R281 VanDerWaalsContact C-N 3.35Å; R279-R281 PolarHBondContact O-N 3.04Å; R281-S284 PolarHBondContact O-N 2.99Å; R281-A285 WeakPolarHBondContact O-CB 3.38Å; R281-A285 PolarHBondContact O-N 2.89Å
282	Q	80.7	Confident	69.9	Low	92 Å²	92	86.4 Å²	86.4	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-45.9	173.2	-77.2	176.8	-10.9	0	0	111.6	M263 L278 R279 S284 A285 I286	M263-Q282 VanDerWaalsContact SD-CA 3.57Å; M263-Q282 HydrophobicContact SD-CB 4.1Å; M263-Q282 HydrophobicContact SD-CG 3.43Å; M263-Q282 WeakPolarHBondContact SD-CG 3.33Å; L278-Q282 WeakPolarHBondContact O-CB 3.11Å; L278-Q282 VanDerWaalsContact O-CG 3.31Å; L278-Q282 WeakPolarHBondContact O-CG 3.34Å; L278-Q282 PolarHBondContact O-N 3.47Å; R279-Q282 PolarHBondContact O-N 2.99Å; Q282-S284 VanDerWaalsContact C-N 3.31Å; Q282-S284 PolarHBondContact O-N 2.72Å; Q282-A285 PolarHBondContact O-N 2.93Å; Q282-I286 VanDerWaalsContact O-CG1 3.26Å; Q282-I286 WeakPolarHBondContact O-CG1 3.43Å; Q282-I286 PolarHBondContact O-N 3.12Å
283	I	78.4	Confident	69.6	Low	69 Å²	69	82.7 Å²	82.7	35%	0.354	40%	0.401	S	S	.	.	H	α-helix	trans	-59.8	-43.9	176.1	-68.6	165.7	0	0	0	110.6	R279 D280 I286 R287	R279-I283 HydrophobicContact CG-CD1 4.23Å; R279-I283 WeakPolarHBondContact O-CG1 3.36Å; R279-I283 PolarHBondContact O-N 3.28Å; D280-I283 PolarHBondContact O-N 3.06Å; I283-I286 PolarHBondContact O-N 3.35Å; I283-R287 WeakPolarHBondContact O-CG 3.49Å; I283-R287 PolarHBondContact O-N 3.07Å
284	S	69.6	Low	69.2	Low	42 Å²	42	79.2 Å²	79.2	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-46.1	178	-57.9	0	0	0	0	112	D280 R281 Q282 I286 R287 I288	D280-S284 PolarHBondContact O-N 3.23Å; D280-S284 PolarHBondContact O-OG 3.46Å; R281-S284 PolarHBondContact O-N 2.99Å; Q282-S284 VanDerWaalsContact C-N 3.31Å; Q282-S284 PolarHBondContact O-N 2.72Å; S284-I286 PolarHBondContact O-N 3.43Å; S284-R287 PolarHBondContact O-N 3.17Å; S284-I288 VanDerWaalsContact O-CG1 3.31Å; S284-I288 WeakPolarHBondContact O-CG1 3.27Å; S284-I288 PolarHBondContact O-N 3.09Å
285	A	68.9	Low	68.2	Low	8 Å²	8	80 Å²	80	7%	0.066	39%	0.387	C	S	.	.	H	α-helix	trans	-63.2	-39.5	177.9	0	0	0	0	0	112.7	L256 C259 M263 R281 Q282 I288 S289	L256-A285 HydrophobicContact CD1-CB 3.9Å; L256-A285 WeakPolarHBondContact CD1-O 3.49Å; C259-A285 HydrophobicContact CB-CB 3.95Å; M263-A285 HydrophobicContact CE-CB 3.71Å; M263-A285 HydrophobicContact SD-CB 4.44Å; R281-A285 WeakPolarHBondContact O-CB 3.38Å; R281-A285 PolarHBondContact O-N 2.89Å; Q282-A285 PolarHBondContact O-N 2.93Å; A285-I288 PolarHBondContact O-N 3.43Å; A285-S289 WeakPolarHBondContact O-CB 3.29Å; A285-S289 PolarHBondContact O-N 2.91Å; A285-S289 PolarHBondContact O-OG 2.88Å
286	I	69.2	Low	67.2	Low	120 Å²	120	79.7 Å²	79.7	62%	0.615	38%	0.378	S	S	*	.	H	α-helix	trans	-63.5	-44.9	175.6	-69.8	165.8	0	0	0	110.4	Q282 I283 S284 S289 Y290	Q282-I286 VanDerWaalsContact O-CG1 3.26Å; Q282-I286 WeakPolarHBondContact O-CG1 3.43Å; Q282-I286 PolarHBondContact O-N 3.12Å; I283-I286 PolarHBondContact O-N 3.35Å; S284-I286 PolarHBondContact O-N 3.43Å; I286-S289 PolarHBondContact O-N 3.2Å; I286-Y290 WeakPolarHBondContact O-CB 3.27Å; I286-Y290 PolarHBondContact O-N 3.42Å
287	R	60.9	Low	65.8	Low	176 Å²	176	78 Å²	78	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-60.8	-47.1	176.8	-74.2	175.4	176.6	-176.5	-0.5	112.1	I283 S284 Y290 C291	I283-R287 WeakPolarHBondContact O-CG 3.49Å; I283-R287 PolarHBondContact O-N 3.07Å; S284-R287 PolarHBondContact O-N 3.17Å; R287-Y290 WeakPolarHBondContact O-CB 3.49Å; R287-Y290 PolarHBondContact O-N 3.14Å; R287-C291 PolarHBondContact O-N 2.75Å; R287-C291 PolarHBondContact O-SG 3.04Å; R287-C291 VanDerWaalsContact O-SG 3.33Å
288	I	55	Low	64.1	Low	25 Å²	25	76.4 Å²	76.4	13%	0.128	37%	0.371	C	S	.	.	H	α-helix	trans	-63.2	-43.9	178.2	-63.6	162.4	0	0	0	110.8	L252 L256 S284 A285 Y290 C291 L292	L252-I288 HydrophobicContact CB-CG2 4.23Å; L252-I288 HydrophobicContact CD2-CG2 4.15Å; L252-I288 VanDerWaalsContact O-CG2 3.24Å; L252-I288 WeakPolarHBondContact O-CG2 3.14Å; L256-I288 HydrophobicContact CB-CG2 3.75Å; L256-I288 HydrophobicContact CD1-CB 4.35Å; L256-I288 HydrophobicContact CD1-CG2 4.37Å; S284-I288 VanDerWaalsContact O-CG1 3.31Å; S284-I288 WeakPolarHBondContact O-CG1 3.27Å; S284-I288 PolarHBondContact O-N 3.09Å; A285-I288 PolarHBondContact O-N 3.43Å; I288-Y290 VanDerWaalsContact C-N 3.29Å; I288-Y290 PolarHBondContact O-N 2.68Å; I288-C291 PolarHBondContact O-N 2.88Å; I288-L292 HydrophobicContact CG2-CD1 4.08Å; I288-L292 PolarHBondContact O-N 3.35Å
289	S	63.1	Low	61.9	Low	46 Å²	46	80.4 Å²	80.4	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-37.1	178.1	-57.5	0	0	0	0	112.1	L256 A285 I286 A293	L256-S289 WeakPolarHBondContact CD1-OG 3.08Å; A285-S289 WeakPolarHBondContact O-CB 3.29Å; A285-S289 PolarHBondContact O-N 2.91Å; A285-S289 PolarHBondContact O-OG 2.88Å; I286-S289 PolarHBondContact O-N 3.2Å; S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.77Å
290	Y	57.6	Low	59.1	Low	159 Å²	159	81.2 Å²	81.2	62%	0.624	40%	0.401	S	S	*	.	H	α-helix	trans	-63.4	-46.5	173.7	-179.7	-92.9	0	0	0	111.5	I286 R287 I288 L292 A293 H294	I286-Y290 WeakPolarHBondContact O-CB 3.27Å; I286-Y290 PolarHBondContact O-N 3.42Å; R287-Y290 WeakPolarHBondContact O-CB 3.49Å; R287-Y290 PolarHBondContact O-N 3.14Å; I288-Y290 VanDerWaalsContact C-N 3.29Å; I288-Y290 PolarHBondContact O-N 2.68Å; Y290-L292 PolarHBondContact O-N 3.18Å; Y290-A293 PolarHBondContact O-N 2.71Å; Y290-H294 WeakPolarHBondContact O-CB 3.46Å; Y290-H294 PolarHBondContact O-N 2.99Å
291	C	49.7	Very low	56.6	Low	59 Å²	59	85 Å²	85	40%	0.399	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-46.5	176.1	-65.2	0	0	0	0	112.1	L252 R287 I288 H294 L295	L252-C291 HydrophobicContact CD1-CB 4.07Å; R287-C291 PolarHBondContact O-N 2.75Å; R287-C291 PolarHBondContact O-SG 3.04Å; R287-C291 VanDerWaalsContact O-SG 3.33Å; I288-C291 PolarHBondContact O-N 2.88Å; C291-H294 PolarHBondContact O-N 3.28Å; C291-L295 WeakPolarHBondContact O-CG 3.48Å; C291-L295 PolarHBondContact O-N 3.2Å
292	L	57.7	Low	55.4	Low	4 Å²	4	84.3 Å²	84.3	2%	0.021	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-45.1	176.7	-78	167.9	0	0	0	112.6	E249 L252 N253 L256 I288 Y290 H294 L295 R296	E249-L292 HydrophobicContact CG-CD2 3.63Å; L252-L292 HydrophobicContact CB-CD1 4.26Å; L252-L292 HydrophobicContact CB-CD2 3.54Å; L252-L292 HydrophobicContact CB-CG 3.76Å; L252-L292 HydrophobicContact CD1-CD2 4.26Å; L252-L292 HydrophobicContact CD1-CG 4.41Å; N253-L292 WeakPolarHBondContact OD1-CD1 3.46Å; L256-L292 HydrophobicContact CB-CD1 4.46Å; L256-L292 HydrophobicContact CD2-CD1 3.87Å; I288-L292 HydrophobicContact CG2-CD1 4.08Å; I288-L292 PolarHBondContact O-N 3.35Å; Y290-L292 PolarHBondContact O-N 3.18Å; L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.15Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-R296 WeakPolarHBondContact O-CB 3.27Å; L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.01Å
293	A	55.4	Low	54.1	Low	53 Å²	53	83.8 Å²	83.8	44%	0.438	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-42.2	176.6	0	0	0	0	0	110.6	S289 Y290 R296 T297	S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.77Å; Y290-A293 PolarHBondContact O-N 2.71Å; A293-R296 PolarHBondContact O-N 2.98Å; A293-T297 WeakPolarHBondContact O-CG2 2.99Å; A293-T297 PolarHBondContact O-N 3.4Å; A293-T297 PolarHBondContact O-OG1 2.82Å
294	H	49.6	Very low	52.8	Low	95 Å²	95	84.7 Å²	84.7	44%	0.44	43%	0.425	S	S	.	.	H	α-helix	trans	-67.4	-42.6	-179.9	-157.3	-3.7	0	0	0	112.5	Y290 C291 L292 T297 N298	Y290-H294 WeakPolarHBondContact O-CB 3.46Å; Y290-H294 PolarHBondContact O-N 2.99Å; C291-H294 PolarHBondContact O-N 3.28Å; L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.15Å; H294-T297 WeakPolarHBondContact CA-OG1 3.48Å; H294-T297 PolarHBondContact O-N 3.04Å; H294-T297 PolarHBondContact O-OG1 2.93Å; H294-N298 PolarHBondContact ND1-ND2 3.21Å; H294-N298 VanDerWaalsContact O-CG 3.26Å; H294-N298 PolarHBondContact O-N 2.97Å; H294-N298 VanDerWaalsContact O-N 3.09Å; H294-N298 PolarHBondContact O-ND2 3.16Å
295	L	49	Very low	51.8	Low	37 Å²	37	87.2 Å²	87.2	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-58.4	-50.1	174.3	-71.9	168.2	0	0	0	111.2	L245 V248 L252 C291 L292 T297 N298 E299	L245-L295 HydrophobicContact CD2-CD2 3.67Å; V248-L295 HydrophobicContact CG1-CD1 3.91Å; L252-L295 HydrophobicContact CD1-CD1 3.35Å; C291-L295 WeakPolarHBondContact O-CG 3.48Å; C291-L295 PolarHBondContact O-N 3.2Å; L292-L295 PolarHBondContact O-N 3.13Å; L295-T297 PolarHBondContact O-N 3.49Å; L295-N298 WeakPolarHBondContact O-CB 3.02Å; L295-N298 PolarHBondContact O-N 3.44Å; L295-N298 VanDerWaalsContact O-N 3.08Å; L295-E299 PolarHBondContact O-N 3.39Å; L295-E299 VanDerWaalsContact O-N 3.12Å
296	R	57	Low	50.7	Low	114 Å²	114	92.1 Å²	92.1	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-36.4	179	-70.8	176.6	179.1	161.5	6.8	113.7	E249 N253 L292 A293 N298 E299 M300	E249-R296 IonicContact OE1-CZ 2.82Å; E249-R296 IonicContact OE1-NE 3.16Å; E249-R296 PolarHBondContact OE1-NE 2.83Å; E249-R296 IonicContact OE1-NH2 2.82Å; E249-R296 PolarHBondContact OE1-NH2 3.16Å; N253-R296 PolarHBondContact ND2-NH2 3.25Å; N253-R296 PolarHBondContact OD1-NH2 2.95Å; N253-R296 VanDerWaalsContact OD1-NH2 3.14Å; L292-R296 WeakPolarHBondContact O-CB 3.27Å; L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.01Å; A293-R296 PolarHBondContact O-N 2.98Å; R296-N298 PolarHBondContact O-N 3.39Å; R296-E299 WeakPolarHBondContact O-CB 3.23Å; R296-E299 PolarHBondContact O-N 3.48Å; R296-M300 PolarHBondContact O-N 2.83Å
297	T	50.5	Low	49.5	Very low	74 Å²	74	90.3 Å²	90.3	45%	0.454	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-30	173.8	46.3	0	0	0	0	112.2	A293 H294 L295 E299 M300 I301	A293-T297 WeakPolarHBondContact O-CG2 2.99Å; A293-T297 PolarHBondContact O-N 3.4Å; A293-T297 PolarHBondContact O-OG1 2.82Å; H294-T297 WeakPolarHBondContact CA-OG1 3.48Å; H294-T297 PolarHBondContact O-N 3.04Å; H294-T297 PolarHBondContact O-OG1 2.93Å; L295-T297 PolarHBondContact O-N 3.49Å; T297-E299 VanDerWaalsContact C-N 3.33Å; T297-M300 PolarHBondContact O-N 3.27Å; T297-I301 WeakPolarHBondContact O-CG1 3.13Å
298	N	44.1	Very low	48.7	Very low	86 Å²	86	84.1 Å²	84.1	46%	0.46	43%	0.429	S	S	.	.	H	α-helix	trans	-77.3	-18.7	174.8	-67.5	-24.2	0	0	0	112.3	H294 L295 R296	H294-N298 PolarHBondContact ND1-ND2 3.21Å; H294-N298 VanDerWaalsContact O-CG 3.26Å; H294-N298 PolarHBondContact O-N 2.97Å; H294-N298 VanDerWaalsContact O-N 3.09Å; H294-N298 PolarHBondContact O-ND2 3.16Å; L295-N298 WeakPolarHBondContact O-CB 3.02Å; L295-N298 PolarHBondContact O-N 3.44Å; L295-N298 VanDerWaalsContact O-N 3.08Å; R296-N298 PolarHBondContact O-N 3.39Å
299	E	39.9	Very low	48.2	Very low	107 Å²	107	88.7 Å²	88.7	50%	0.5	45%	0.452	S	S	.	.	H	α-helix	trans	-75.2	-31.8	166.8	-66.3	-172.6	144.9	0	0	112.9	L295 R296 T297 I301	L295-E299 PolarHBondContact O-N 3.39Å; L295-E299 VanDerWaalsContact O-N 3.12Å; R296-E299 WeakPolarHBondContact O-CB 3.23Å; R296-E299 PolarHBondContact O-N 3.48Å; T297-E299 VanDerWaalsContact C-N 3.33Å; E299-I301 PolarHBondContact O-N 3.22Å
300	M	24.8	Very low	46.9	Very low	170 Å²	170	92.3 Å²	92.3	84%	0.837	46%	0.463	S	S	*	.			trans	-75.5	2.5	177.6	-82.4	-169.4	65.1	0	0	114.1	R296 T297	R296-M300 PolarHBondContact O-N 2.83Å; T297-M300 PolarHBondContact O-N 3.27Å
301	I	27.8	Very low	45.9	Very low	149 Å²	149	86.2 Å²	86.2	76%	0.764	45%	0.449	S	S	*	.			trans	-118.8	0	-179.9	-56	173.9	0	0	0	111.9	K67 T297 E299	K67-I301 PolarHBondContact NZ-O 3.38Å; T297-I301 WeakPolarHBondContact O-CG1 3.13Å; E299-I301 PolarHBondContact O-N 3.22Å

Retrieved 301 of 301 residues in 264 ms (Link to these results)

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