A0A077Z4I0_TRITR Loading...

CX domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4I0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 274 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	54	Low	47.4	Very low	244 Å²	244	170 Å²	170	100%	1.202	83%	0.828	S	S	*	*				0	98.9	0	-95.5	169.8	173.3	0	0	107.7
2	F	47.2	Very low	46.5	Very low	197 Å²	197	169.3 Å²	169.3	86%	0.864	82%	0.822	S	S	*	*			trans	-90.2	114.8	176	-75.1	-91.3	0	0	0	108	N4	F2-N4 PolarHBondContact O-N 3.22Å
3	L	54.9	Low	45.2	Very low	157 Å²	157	164.2 Å²	164.2	82%	0.822	83%	0.825	S	S	*	*			trans	-81.3	92.7	168.4	-84.7	159.9	0	0	0	108	F5	L3-F5 PolarHBondContact O-N 3.24Å
4	N	49.4	Very low	44.4	Very low	143 Å²	143	160.3 Å²	160.3	77%	0.765	82%	0.82	S	S	*	*			trans	-70.8	102.7	168.4	-89	-67	0	0	0	108.9	F2 H6	F2-N4 PolarHBondContact O-N 3.22Å; N4-H6 PolarHBondContact O-N 3.3Å
5	F	53.1	Low	43.4	Very low	167 Å²	167	156.5 Å²	156.5	73%	0.732	82%	0.823	S	S	*	*			trans	-78	103.3	163.6	-87.5	-88.2	0	0	0	108.8	L3 F7	L3-F5 PolarHBondContact O-N 3.24Å; F5-F7 HydrophobicContact CB-CD2 4.43Å; F5-F7 HydrophobicContact CB-CE2 4.25Å; F5-F7 PolarHBondContact O-N 3.21Å
6	H	53.3	Low	42.6	Very low	177 Å²	177	160.5 Å²	160.5	82%	0.819	83%	0.825	S	S	*	*			trans	-76.4	96.6	173.1	-144.6	84.6	0	0	0	108.2	N4	N4-H6 PolarHBondContact O-N 3.3Å
7	F	47.7	Very low	41.9	Very low	170 Å²	170	156.8 Å²	156.8	75%	0.746	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.6	132.1	165.4	-82.2	-88.9	0	0	0	108.7	F5	F5-F7 HydrophobicContact CB-CD2 4.43Å; F5-F7 HydrophobicContact CB-CE2 4.25Å; F5-F7 PolarHBondContact O-N 3.21Å
8	P	47	Very low	41.4	Very low	112 Å²	112	156.8 Å²	156.8	73%	0.727	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.9	178.4	25.9	-31.5	0	0	0	110.3
9	P	43.4	Very low	41	Very low	100 Å²	100	151.9 Å²	151.9	65%	0.649	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.2	146.3	178.7	10.2	5.8	0	0	0	110.9
10	Y	37	Very low	40.5	Very low	201 Å²	201	154.1 Å²	154.1	79%	0.788	81%	0.81	S	S	*	*			trans	63.7	95.6	145.1	-70.1	-116.1	0	0	0	117.8	Q12	Y10-Q12 PolarHBondContact O-N 3.19Å
11	M	34.5	Very low	40.5	Very low	202 Å²	202	151.6 Å²	151.6	100%	0.995	80%	0.801	S	S	*	*			trans	-83.3	95.8	141	-81.1	-93.2	-179.4	0	0	107	A13	M11-A13 PolarHBondContact O-N 3.01Å
12	Q	36.1	Very low	39.6	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.752	78%	0.783	S	S	*	*			trans	-59.2	127.8	173.8	-114.9	163.8	-13.7	0	0	110.3	Y10 S14	Y10-Q12 PolarHBondContact O-N 3.19Å; Q12-S14 PolarHBondContact O-N 3.2Å; Q12-S14 VanDerWaalsContact O-N 3.13Å
13	A	29.7	Very low	39.4	Very low	104 Å²	104	142.4 Å²	142.4	86%	0.86	76%	0.76	S	S	*	*			trans	-60.7	107.9	163.8	0	0	0	0	0	109.3	M11	M11-A13 PolarHBondContact O-N 3.01Å
14	S	33.7	Very low	39.1	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	73%	0.734	S	S	*	*			trans	-93.2	103.8	164.1	-85.5	0	0	0	0	108.7	Q12 Y16	Q12-S14 PolarHBondContact O-N 3.2Å; Q12-S14 VanDerWaalsContact O-N 3.13Å; S14-Y16 PolarHBondContact O-N 3.39Å; S14-Y16 VanDerWaalsContact O-N 3.16Å
15	A	29.8	Very low	39.3	Very low	104 Å²	104	135.5 Å²	135.5	86%	0.86	73%	0.734	S	S	*	*			trans	-52.2	112.6	158.8	0	0	0	0	0	109.1
16	Y	31	Very low	39.9	Very low	220 Å²	220	130 Å²	130	86%	0.863	71%	0.714	S	S	*	*			trans	-115.6	120.5	166.3	-137.7	-97	0	0	0	110.1	S14	S14-Y16 PolarHBondContact O-N 3.39Å; S14-Y16 VanDerWaalsContact O-N 3.16Å
17	S	30.1	Very low	40.8	Very low	97 Å²	97	121.7 Å²	121.7	68%	0.678	68%	0.676	S	S	*	*			trans	-49.2	126.9	-176.7	-72.5	0	0	0	0	114.5	G19	S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 VanDerWaalsContact O-N 3.1Å
18	I	33.4	Very low	41.9	Very low	158 Å²	158	121.4 Å²	121.4	81%	0.81	67%	0.674	S	S	*	*				37.3	69.2	120.1	-43.2	171.7	0	0	0	113.8	K20	I18-K20 PolarHBondContact O-N 3Å
19	G	33.6	Very low	43.2	Very low	64 Å²	64	117.6 Å²	117.6	66%	0.66	66%	0.655	S	S	*	*			trans	-72.2	115	156.6	0	0	0	0	0	108.4	S17 V21	S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 VanDerWaalsContact O-N 3.1Å; G19-V21 VanDerWaalsContact C-N 3.32Å; G19-V21 PolarHBondContact O-N 3.48Å
20	K	31.4	Very low	44.9	Very low	195 Å²	195	113.2 Å²	113.2	85%	0.848	63%	0.626	S	S	*	*			trans	-55	93.1	173	-68.6	174.4	179.8	173.1	0	109.7	I18 L22	I18-K20 PolarHBondContact O-N 3Å; K20-L22 PolarHBondContact O-N 3.42Å
21	V	40.6	Very low	46.9	Very low	102 Å²	102	104 Å²	104	62%	0.618	59%	0.59	S	S	*	*			trans	-62.5	110.2	162.4	-178.9	0	0	0	0	105.5	G19 K23 E113	G19-V21 VanDerWaalsContact C-N 3.32Å; G19-V21 PolarHBondContact O-N 3.48Å; V21-K23 PolarHBondContact O-N 3.13Å; V21-E113 HydrophobicContact CG1-CG 4.05Å; V21-E113 WeakPolarHBondContact CG1-OE1 3.49Å
22	L	35.5	Very low	49	Very low	159 Å²	159	97.1 Å²	97.1	83%	0.832	57%	0.566	S	S	*	*			trans	-55.6	104.1	171.4	-86.1	98.7	0	0	0	107.2	K20 S24	K20-L22 PolarHBondContact O-N 3.42Å; L22-S24 PolarHBondContact O-N 2.89Å
23	K	41.3	Very low	51	Low	88 Å²	88	90.5 Å²	90.5	38%	0.383	54%	0.541	S	S	.	.			trans	-46.1	106	172.5	-104.1	-178.1	166	-175.7	0	107.8	V21 D82 E83	V21-K23 PolarHBondContact O-N 3.13Å; K23-D82 IonicContact NZ-OD1 2.99Å; K23-D82 IonicContact NZ-OD2 3.73Å; K23-D82 PolarHBondContact NZ-OD2 2.84Å; K23-E83 WeakPolarHBondContact CE-OE1 3.26Å; K23-E83 IonicContact NZ-OE1 3.9Å; K23-E83 PolarHBondContact NZ-OE1 2.7Å
24	S	48.6	Very low	53.3	Low	38 Å²	38	85.5 Å²	85.5	27%	0.266	50%	0.5	S	S	.	.			trans	-64.2	140.6	173.9	174.2	0	0	0	0	108.9	L22 T26 T27	L22-S24 PolarHBondContact O-N 2.89Å; S24-T26 VanDerWaalsContact CB-OG1 3.29Å; S24-T26 WeakPolarHBondContact CB-OG1 3.25Å; S24-T26 PolarHBondContact O-N 2.76Å; S24-T26 PolarHBondContact OG-N 2.97Å; S24-T26 PolarHBondContact OG-OG1 3.38Å; S24-T27 PolarHBondContact O-N 3.16Å; S24-T27 VanDerWaalsContact O-N 3.09Å; S24-T27 PolarHBondContact O-OG1 3.46Å
25	P	55	Low	55.4	Low	118 Å²	118	81.4 Å²	81.4	77%	0.766	47%	0.472	S	S	*	.	H	α-helix	trans	-56.3	-16	172.9	21.8	-31.9	0	0	0	113
26	T	65	Low	57.4	Low	52 Å²	52	79.7 Å²	79.7	32%	0.319	46%	0.458	S	S	.	.	H	α-helix	trans	-68.8	-29.7	177	57	0	0	0	0	113.9	S24 K28 G29 I30	S24-T26 VanDerWaalsContact CB-OG1 3.29Å; S24-T26 WeakPolarHBondContact CB-OG1 3.25Å; S24-T26 PolarHBondContact O-N 2.76Å; S24-T26 PolarHBondContact OG-N 2.97Å; S24-T26 PolarHBondContact OG-OG1 3.38Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 3.1Å; T26-G29 PolarHBondContact O-N 2.89Å; T26-G29 VanDerWaalsContact O-N 3.12Å; T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 2.82Å
27	T	71.4	Confident	59.3	Low	2 Å²	2	70.7 Å²	70.7	1%	0.012	43%	0.433	C	S	.	.	H	α-helix	trans	-59.2	-43.9	-177.8	-40.5	0	0	0	0	110.4	S24 G29 I30 L31 Y77 E113 M114	S24-T27 PolarHBondContact O-N 3.16Å; S24-T27 VanDerWaalsContact O-N 3.09Å; S24-T27 PolarHBondContact O-OG1 3.46Å; T27-G29 VanDerWaalsContact C-N 3.34Å; T27-G29 PolarHBondContact O-N 2.68Å; T27-I30 PolarHBondContact O-N 3.34Å; T27-L31 HydrophobicContact CG2-CD1 4.14Å; T27-L31 WeakPolarHBondContact O-CB 3.38Å; T27-L31 WeakPolarHBondContact O-CD1 3.38Å; T27-L31 WeakPolarHBondContact O-CG 3.3Å; T27-L31 PolarHBondContact O-N 2.88Å; T27-Y77 WeakPolarHBondContact CG2-OH 3.02Å; T27-E113 PolarHBondContact OG1-OE2 3.01Å; T27-M114 HydrophobicContact CG2-CG 4.2Å; T27-M114 HydrophobicContact CG2-SD 3.29Å; T27-M114 WeakPolarHBondContact CG2-SD 3.44Å
28	K	71.7	Confident	61.1	Low	164 Å²	164	67 Å²	67	71%	0.713	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-39	176.9	-67.5	-174.2	178.4	-176.4	0	112.9	T26 L31 A32	T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 3.1Å; K28-L31 PolarHBondContact O-N 2.86Å; K28-A32 WeakPolarHBondContact O-CB 3.5Å; K28-A32 PolarHBondContact O-N 3.41Å
29	G	75.1	Confident	62.6	Low	32 Å²	32	64 Å²	64	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-68.1	-40.9	178.1	0	0	0	0	0	112.6	T26 T27 A32 G33 Y52	T26-G29 PolarHBondContact O-N 2.89Å; T26-G29 VanDerWaalsContact O-N 3.12Å; T27-G29 VanDerWaalsContact C-N 3.34Å; T27-G29 PolarHBondContact O-N 2.68Å; G29-A32 PolarHBondContact O-N 3.03Å; G29-G33 PolarHBondContact O-N 2.81Å; G29-Y52 WeakPolarHBondContact O-CE2 2.91Å; G29-Y52 PolarHBondContact O-OH 2.99Å
30	I	77.5	Confident	63.9	Low	8 Å²	8	62.3 Å²	62.3	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-48.9	174	-60.2	160.2	0	0	0	109.4	T26 T27 A32 G33 L34 Y52 Y57 M114 R115	T26-I30 WeakPolarHBondContact O-CG1 3.42Å; T26-I30 PolarHBondContact O-N 2.82Å; T27-I30 PolarHBondContact O-N 3.34Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.8Å; I30-G33 PolarHBondContact O-N 3.48Å; I30-L34 HydrophobicContact CG2-CD1 3.94Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.27Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 2.97Å; I30-L34 PolarHBondContact O-N 2.97Å; I30-Y52 HydrophobicContact CB-CD1 4.1Å; I30-Y52 HydrophobicContact CB-CE1 3.95Å; I30-Y52 HydrophobicContact CG1-CD1 3.82Å; I30-Y52 HydrophobicContact CG1-CE1 3.38Å; I30-Y52 HydrophobicContact CG2-CD1 3.81Å; I30-Y52 HydrophobicContact CG2-CE1 4.2Å; I30-Y52 HydrophobicContact CG2-CG 4.16Å; I30-Y57 HydrophobicContact CG2-CE1 4.43Å; I30-M114 HydrophobicContact CB-CE 4.07Å; I30-M114 HydrophobicContact CB-SD 4.5Å; I30-M114 HydrophobicContact CD1-CB 3.81Å; I30-M114 HydrophobicContact CG2-CB 4.26Å; I30-M114 HydrophobicContact CG2-CE 3.53Å; I30-M114 HydrophobicContact CG2-SD 4.45Å; I30-R115 HydrophobicContact CD1-CB 4.45Å
31	L	80.8	Confident	65.3	Low	6 Å²	6	55.4 Å²	55.4	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-56.9	-45.4	176.7	-69.7	166.7	0	0	0	112	T27 K28 G33 L34 A35 L79 E83 L87 M114	T27-L31 HydrophobicContact CG2-CD1 4.14Å; T27-L31 WeakPolarHBondContact O-CB 3.38Å; T27-L31 WeakPolarHBondContact O-CD1 3.38Å; T27-L31 WeakPolarHBondContact O-CG 3.3Å; T27-L31 PolarHBondContact O-N 2.88Å; K28-L31 PolarHBondContact O-N 2.86Å; L31-G33 PolarHBondContact O-N 3.27Å; L31-L34 PolarHBondContact O-N 3.3Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.18Å; L31-L79 HydrophobicContact CD2-CD2 3.52Å; L31-E83 HydrophobicContact CD1-CB 3.88Å; L31-E83 HydrophobicContact CD1-CG 3.57Å; L31-E83 HydrophobicContact CD2-CB 4.16Å; L31-L87 HydrophobicContact CB-CD2 4.04Å; L31-L87 HydrophobicContact CD2-CD1 3.5Å; L31-L87 VanDerWaalsContact CD2-CD1 3.5Å; L31-L87 HydrophobicContact CD2-CD2 3.75Å; L31-L87 HydrophobicContact CD2-CG 3.76Å; L31-L87 WeakPolarHBondContact O-CD2 3.42Å; L31-M114 HydrophobicContact CD1-SD 4.49Å; L31-M114 HydrophobicContact CD2-CE 3.55Å; L31-M114 HydrophobicContact CD2-SD 4.03Å; L31-M114 HydrophobicContact CG-CE 3.81Å; L31-M114 HydrophobicContact CG-SD 3.93Å
32	A	78	Confident	66.3	Low	58 Å²	58	56.6 Å²	56.6	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-41.1	177.9	0	0	0	0	0	112.6	K28 G29 I30 A35 A36	K28-A32 WeakPolarHBondContact O-CB 3.5Å; K28-A32 PolarHBondContact O-N 3.41Å; G29-A32 PolarHBondContact O-N 3.03Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.8Å; A32-A35 WeakPolarHBondContact O-CB 3.06Å; A32-A35 PolarHBondContact O-N 2.79Å; A32-A36 PolarHBondContact O-N 2.82Å
33	G	77.9	Confident	67.3	Low	22 Å²	22	55.9 Å²	55.9	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-39.4	177.2	0	0	0	0	0	112.9	G29 I30 L31 A35 A36 G37	G29-G33 PolarHBondContact O-N 2.81Å; I30-G33 PolarHBondContact O-N 3.48Å; L31-G33 PolarHBondContact O-N 3.27Å; G33-A35 VanDerWaalsContact C-N 3.3Å; G33-A35 PolarHBondContact O-N 2.99Å; G33-A36 PolarHBondContact O-N 2.96Å; G33-G37 PolarHBondContact O-N 2.65Å
34	L	78.6	Confident	68.1	Low	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-42.3	170.2	-67.3	175.6	0	0	0	110.5	I30 L31 A36 G37 Y38 L50 Y57 L87 F89 L100 M114	I30-L34 HydrophobicContact CG2-CD1 3.94Å; I30-L34 HydrophobicContact CG2-CG 4.24Å; I30-L34 WeakPolarHBondContact O-CB 3.27Å; I30-L34 VanDerWaalsContact O-CG 3.28Å; I30-L34 WeakPolarHBondContact O-CG 2.97Å; I30-L34 PolarHBondContact O-N 2.97Å; L31-L34 PolarHBondContact O-N 3.3Å; L34-A36 VanDerWaalsContact C-N 3.32Å; L34-A36 PolarHBondContact O-N 3.08Å; L34-G37 PolarHBondContact O-N 3.1Å; L34-G37 VanDerWaalsContact O-N 3.12Å; L34-Y38 PolarHBondContact O-N 3.02Å; L34-L50 HydrophobicContact CB-CD2 4.46Å; L34-L50 HydrophobicContact CD2-CB 3.52Å; L34-L50 VanDerWaalsContact O-CD2 3.27Å; L34-L50 WeakPolarHBondContact O-CD2 3.01Å; L34-Y57 HydrophobicContact CD1-CD1 4.27Å; L34-Y57 HydrophobicContact CD1-CG 4.25Å; L34-Y57 HydrophobicContact CD2-CD2 3.57Å; L34-Y57 HydrophobicContact CD2-CE2 4.23Å; L34-Y57 HydrophobicContact CD2-CG 3.75Å; L34-L87 HydrophobicContact CB-CD2 4.04Å; L34-F89 VanDerWaalsContact C-CZ 3.42Å; L34-F89 HydrophobicContact CB-CE2 4.05Å; L34-F89 HydrophobicContact CB-CZ 3.89Å; L34-F89 VanDerWaalsContact O-CZ 3.3Å; L34-F89 WeakPolarHBondContact O-CZ 3.44Å; L34-L100 HydrophobicContact CD1-CD1 3.77Å; L34-M114 HydrophobicContact CD1-CE 3.78Å
35	A	76.6	Confident	68.4	Low	22 Å²	22	62.5 Å²	62.5	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-58.3	-46	179.4	0	0	0	0	0	111.2	L31 A32 G33 Y38 V39 L87 F89	L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.18Å; A32-A35 WeakPolarHBondContact O-CB 3.06Å; A32-A35 PolarHBondContact O-N 2.79Å; G33-A35 VanDerWaalsContact C-N 3.3Å; G33-A35 PolarHBondContact O-N 2.99Å; A35-Y38 PolarHBondContact O-N 2.81Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 3.13Å; A35-L87 HydrophobicContact CB-CD2 4.21Å; A35-F89 HydrophobicContact CB-CE1 4.47Å; A35-F89 HydrophobicContact CB-CZ 4.5Å
36	A	73	Confident	68.4	Low	68 Å²	68	59.5 Å²	59.5	56%	0.562	36%	0.362	S	S	*	.	H	α-helix	trans	-61.7	-42.9	174.2	0	0	0	0	0	112.3	A32 G33 L34 Y38 V39 G40	A32-A36 PolarHBondContact O-N 2.82Å; G33-A36 PolarHBondContact O-N 2.96Å; L34-A36 VanDerWaalsContact C-N 3.32Å; L34-A36 PolarHBondContact O-N 3.08Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.88Å; A36-V39 PolarHBondContact O-N 2.9Å; A36-G40 PolarHBondContact O-N 3.26Å
37	G	69.7	Low	67.9	Low	32 Å²	32	61 Å²	61	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-38.5	176	0	0	0	0	0	113.2	G33 L34 G40 Y41	G33-G37 PolarHBondContact O-N 2.65Å; L34-G37 PolarHBondContact O-N 3.1Å; L34-G37 VanDerWaalsContact O-N 3.12Å; G37-G40 CarbonylContact O-C 3.51Å; G37-G40 WeakPolarHBondContact O-CA 3.48Å; G37-G40 PolarHBondContact O-N 3.42Å; G37-Y41 PolarHBondContact O-N 2.82Å
38	Y	69.3	Low	67.5	Low	20 Å²	20	64 Å²	64	8%	0.078	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-34.6	178.9	-174.7	-102.8	0	0	0	113.6	L34 A35 A36 G40 Y41 K42 L50 F89 S90	L34-Y38 PolarHBondContact O-N 3.02Å; A35-Y38 PolarHBondContact O-N 2.81Å; A36-Y38 VanDerWaalsContact C-N 3.32Å; A36-Y38 PolarHBondContact O-N 2.88Å; Y38-G40 PolarHBondContact O-N 2.96Å; Y38-Y41 AromaticContact CD2-CD1 3.73Å; Y38-Y41 HydrophobicContact CD2-CD1 3.73Å; Y38-Y41 HydrophobicContact CD2-CG 4.45Å; Y38-Y41 AromaticContact CE2-CD1 3.53Å; Y38-Y41 HydrophobicContact CE2-CD1 3.53Å; Y38-Y41 AromaticContact CE2-CE1 3.97Å; Y38-Y41 HydrophobicContact CE2-CE1 3.97Å; Y38-Y41 WeakPolarHBondContact O-CA 3.39Å; Y38-Y41 VanDerWaalsContact O-CB 3.31Å; Y38-Y41 WeakPolarHBondContact O-CB 3.42Å; Y38-Y41 PolarHBondContact O-N 2.83Å; Y38-K42 HydrophobicContact CD1-CG 4.42Å; Y38-K42 HydrophobicContact CE1-CD 4.32Å; Y38-K42 HydrophobicContact CE1-CG 3.94Å; Y38-K42 PolarHBondContact O-N 2.85Å; Y38-K42 WeakPolarHBondContact OH-CE 3.42Å; Y38-L50 HydrophobicContact CD2-CD2 4.27Å; Y38-L50 HydrophobicContact CG-CD2 4.45Å; Y38-F89 AromaticContact CD1-CD1 3.33Å; Y38-F89 HydrophobicContact CD1-CD1 3.33Å; Y38-F89 AromaticContact CD1-CE1 3.77Å; Y38-F89 HydrophobicContact CD1-CE1 3.77Å; Y38-F89 HydrophobicContact CD1-CG 4.39Å; Y38-F89 HydrophobicContact CD2-CB 4.29Å; Y38-F89 AromaticContact CD2-CD1 3.49Å; Y38-F89 HydrophobicContact CD2-CD1 3.49Å; Y38-F89 VanDerWaalsContact CD2-CD1 3.49Å; Y38-F89 HydrophobicContact CD2-CE1 4.04Å; Y38-F89 AromaticContact CD2-CG 3.92Å; Y38-F89 HydrophobicContact CD2-CG 3.92Å; Y38-F89 AromaticContact CE1-CD1 3.91Å; Y38-F89 HydrophobicContact CE1-CD1 3.91Å; Y38-F89 HydrophobicContact CE2-CB 4.13Å; Y38-F89 HydrophobicContact CE2-CD1 4.05Å; Y38-F89 HydrophobicContact CE2-CG 4.26Å; Y38-F89 AromaticContact CG-CD1 3.1Å; Y38-F89 HydrophobicContact CG-CD1 3.1Å; Y38-F89 AromaticContact CG-CE1 3.36Å; Y38-F89 HydrophobicContact CG-CE1 3.36Å; Y38-F89 AromaticContact CG-CG 4Å; Y38-F89 HydrophobicContact CG-CG 4Å; Y38-F89 HydrophobicContact CG-CZ 4.34Å; Y38-S90 PolarHBondContact OH-N 3.47Å; Y38-S90 PolarHBondContact OH-O 2.9Å; Y38-S90 PolarHBondContact OH-OG 2.76Å
39	V	64.4	Low	67.5	Low	93 Å²	93	59.6 Å²	59.6	56%	0.564	37%	0.369	S	S	*	.	H	α-helix	trans	-59.2	-40	171	176.2	0	0	0	0	109.3	A35 A36 K42 L43	A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 3.13Å; A36-V39 PolarHBondContact O-N 2.9Å; V39-K42 PolarHBondContact O-N 2.99Å; V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 2.8Å
40	G	60.5	Low	67.6	Low	29 Å²	29	58.5 Å²	58.5	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-38.9	169.9	0	0	0	0	0	114	A36 G37 Y38 L43 T44	A36-G40 PolarHBondContact O-N 3.26Å; G37-G40 CarbonylContact O-C 3.51Å; G37-G40 WeakPolarHBondContact O-CA 3.48Å; G37-G40 PolarHBondContact O-N 3.42Å; Y38-G40 PolarHBondContact O-N 2.96Å; G40-L43 WeakPolarHBondContact O-CB 3.48Å; G40-L43 PolarHBondContact O-N 2.72Å; G40-T44 PolarHBondContact O-N 3.07Å; G40-T44 VanDerWaalsContact O-N 3.12Å; G40-T44 PolarHBondContact O-OG1 3.22Å
41	Y	61	Low	67.5	Low	51 Å²	51	63 Å²	63	20%	0.2	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-46.2	175.5	168.4	-114.7	0	0	0	112.5	G37 Y38 L43 T44 Q45 I47	G37-Y41 PolarHBondContact O-N 2.82Å; Y38-Y41 AromaticContact CD2-CD1 3.73Å; Y38-Y41 HydrophobicContact CD2-CD1 3.73Å; Y38-Y41 HydrophobicContact CD2-CG 4.45Å; Y38-Y41 AromaticContact CE2-CD1 3.53Å; Y38-Y41 HydrophobicContact CE2-CD1 3.53Å; Y38-Y41 AromaticContact CE2-CE1 3.97Å; Y38-Y41 HydrophobicContact CE2-CE1 3.97Å; Y38-Y41 WeakPolarHBondContact O-CA 3.39Å; Y38-Y41 VanDerWaalsContact O-CB 3.31Å; Y38-Y41 WeakPolarHBondContact O-CB 3.42Å; Y38-Y41 PolarHBondContact O-N 2.83Å; Y41-L43 PolarHBondContact O-N 2.86Å; Y41-T44 PolarHBondContact O-N 2.89Å; Y41-T44 VanDerWaalsContact O-N 3.13Å; Y41-Q45 PolarHBondContact O-N 3.13Å; Y41-Q45 VanDerWaalsContact O-N 3.13Å; Y41-I47 HydrophobicContact CD2-CB 4.39Å; Y41-I47 WeakPolarHBondContact CD2-O 3.44Å; Y41-I47 VanDerWaalsContact CE2-O 3.27Å; Y41-I47 WeakPolarHBondContact CE2-O 3.37Å
42	K	60.8	Low	67.4	Low	126 Å²	126	66.2 Å²	66.2	55%	0.548	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-30.7	177	-73	-128.3	179.1	-172.6	0	112.5	Y38 V39 S90	Y38-K42 HydrophobicContact CD1-CG 4.42Å; Y38-K42 HydrophobicContact CE1-CD 4.32Å; Y38-K42 HydrophobicContact CE1-CG 3.94Å; Y38-K42 PolarHBondContact O-N 2.85Å; Y38-K42 WeakPolarHBondContact OH-CE 3.42Å; V39-K42 PolarHBondContact O-N 2.99Å; K42-S90 PolarHBondContact NZ-OG 2.82Å
43	L	58.1	Low	67.6	Low	145 Å²	145	70.4 Å²	70.4	76%	0.759	40%	0.404	S	S	*	.	H	α-helix	trans	-77.2	-24.4	177.5	-69.6	165.8	0	0	0	113.4	V39 G40 Y41	V39-L43 WeakPolarHBondContact O-CG 3.47Å; V39-L43 PolarHBondContact O-N 2.8Å; G40-L43 WeakPolarHBondContact O-CB 3.48Å; G40-L43 PolarHBondContact O-N 2.72Å; Y41-L43 PolarHBondContact O-N 2.86Å
44	T	56.4	Low	67.8	Low	78 Å²	78	72.6 Å²	72.6	48%	0.479	43%	0.427	S	S	.	.	H	α-helix	trans	-110.8	-0.7	-171.5	47.8	0	0	0	0	114.9	G40 Y41 G46 I47	G40-T44 PolarHBondContact O-N 3.07Å; G40-T44 VanDerWaalsContact O-N 3.12Å; G40-T44 PolarHBondContact O-OG1 3.22Å; Y41-T44 PolarHBondContact O-N 2.89Å; Y41-T44 VanDerWaalsContact O-N 3.13Å; T44-G46 PolarHBondContact O-N 2.82Å; T44-I47 HydrophobicContact CG2-CD1 4.48Å
45	Q	56.2	Low	67.9	Low	186 Å²	186	74.1 Å²	74.1	87%	0.869	44%	0.435	S	S	*	.	S	Bend	trans	47.4	-1.5	178.3	-70.2	-160.4	0.1	0	0	117.8	Y41	Y41-Q45 PolarHBondContact O-N 3.13Å; Y41-Q45 VanDerWaalsContact O-N 3.13Å
46	G	53.9	Low	68.3	Low	56 Å²	56	75.1 Å²	75.1	58%	0.577	44%	0.437	S	S	*	.			trans	-135.1	-5.4	-165.4	0	0	0	0	0	115.8	T44 S48	T44-G46 PolarHBondContact O-N 2.82Å; G46-S48 PolarHBondContact O-N 2.53Å
47	I	55.8	Low	68.8	Low	84 Å²	84	72 Å²	72	43%	0.431	41%	0.411	S	S	.	.			trans	-101.2	80.9	-174.7	-48.4	-179.6	0	0	0	110.7	Y41 T44 K49	Y41-I47 HydrophobicContact CD2-CB 4.39Å; Y41-I47 WeakPolarHBondContact CD2-O 3.44Å; Y41-I47 VanDerWaalsContact CE2-O 3.27Å; Y41-I47 WeakPolarHBondContact CE2-O 3.37Å; T44-I47 HydrophobicContact CG2-CD1 4.48Å; I47-K49 HydrophobicContact CG2-CG 3.94Å; I47-K49 WeakPolarHBondContact CG2-O 3.3Å; I47-K49 PolarHBondContact O-N 2.86Å
48	S	61.8	Low	69.4	Low	64 Å²	64	72.9 Å²	72.9	45%	0.448	40%	0.404	S	S	.	.			trans	-62.3	-4.6	-178.4	-22	0	0	0	0	115	G46	G46-S48 PolarHBondContact O-N 2.53Å
49	K	72.1	Confident	69.9	Low	71 Å²	71	72.3 Å²	72.3	31%	0.309	40%	0.403	S	S	.	.			trans	-113.9	135.6	-176.7	70.1	-176.4	-161.6	143.5	0	111	I47 D56 Y58	I47-K49 HydrophobicContact CG2-CG 3.94Å; I47-K49 WeakPolarHBondContact CG2-O 3.3Å; I47-K49 PolarHBondContact O-N 2.86Å; K49-D56 HydrophobicContact CD-CB 4.48Å; K49-D56 WeakPolarHBondContact CD-OD1 3.49Å; K49-D56 WeakPolarHBondContact CE-OD1 3.48Å; K49-D56 IonicContact NZ-OD1 2.81Å; K49-D56 PolarHBondContact NZ-OD1 3.19Å; K49-D56 IonicContact NZ-OD2 2.94Å; K49-D56 PolarHBondContact NZ-OD2 2.86Å; K49-Y58 HydrophobicContact CB-CD1 4.34Å; K49-Y58 HydrophobicContact CB-CE1 3.79Å
50	L	76.7	Confident	70.2	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.052	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127	171.8	-59.2	118.7	0	0	0	108	L34 Y38 Y57 F89	L34-L50 HydrophobicContact CB-CD2 4.46Å; L34-L50 HydrophobicContact CD2-CB 3.52Å; L34-L50 VanDerWaalsContact O-CD2 3.27Å; L34-L50 WeakPolarHBondContact O-CD2 3.01Å; Y38-L50 HydrophobicContact CD2-CD2 4.27Å; Y38-L50 HydrophobicContact CG-CD2 4.45Å; L50-Y57 PolarHBondContact N-O 2.86Å; L50-Y57 PolarHBondContact O-N 3.49Å; L50-F89 HydrophobicContact CD1-CE2 4.41Å; L50-F89 HydrophobicContact CD2-CE1 4.37Å; L50-F89 HydrophobicContact CD2-CE2 3.94Å; L50-F89 HydrophobicContact CD2-CZ 3.83Å
51	M	75.9	Confident	70.5	Confident	103 Å²	103	75.5 Å²	75.5	51%	0.507	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128	178.7	-64.1	-167	71.6	0	0	110.1	I55 D56	M51-I55 WeakPolarHBondContact CA-O 3.08Å; M51-D56 WeakPolarHBondContact CE-OD1 3.31Å; M51-D56 WeakPolarHBondContact CG-OD1 3.27Å
52	Y	80.1	Confident	70.7	Confident	73 Å²	73	75.5 Å²	75.5	29%	0.286	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123	168.5	-176.1	-93	0	0	0	109.9	G29 I30 G54 I55	G29-Y52 WeakPolarHBondContact O-CE2 2.91Å; G29-Y52 PolarHBondContact O-OH 2.99Å; I30-Y52 HydrophobicContact CB-CD1 4.1Å; I30-Y52 HydrophobicContact CB-CE1 3.95Å; I30-Y52 HydrophobicContact CG1-CD1 3.82Å; I30-Y52 HydrophobicContact CG1-CE1 3.38Å; I30-Y52 HydrophobicContact CG2-CD1 3.81Å; I30-Y52 HydrophobicContact CG2-CE1 4.2Å; I30-Y52 HydrophobicContact CG2-CG 4.16Å; Y52-G54 PolarHBondContact O-N 2.98Å; Y52-I55 PolarHBondContact N-O 3.35Å; Y52-I55 PolarHBondContact O-N 3.05Å
53	N	81.1	Confident	71.2	Confident	145 Å²	145	70.9 Å²	70.9	78%	0.775	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.1	179.3	-162	40.5	0	0	0	113.9	I55	N53-I55 VanDerWaalsContact C-N 3.27Å; N53-I55 PolarHBondContact O-N 3.39Å
54	G	81.3	Confident	71.5	Confident	69 Å²	69	71.7 Å²	71.7	71%	0.711	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	0.2	-178.7	0	0	0	0	0	115.7	Y52	Y52-G54 PolarHBondContact O-N 2.98Å
55	I	82.6	Confident	71.8	Confident	32 Å²	32	70.8 Å²	70.8	16%	0.164	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.1	174.6	-59.1	170.5	0	0	0	109	M51 Y52 N53 Y57 F102 C116	M51-I55 WeakPolarHBondContact CA-O 3.08Å; Y52-I55 PolarHBondContact N-O 3.35Å; Y52-I55 PolarHBondContact O-N 3.05Å; N53-I55 VanDerWaalsContact C-N 3.27Å; N53-I55 PolarHBondContact O-N 3.39Å; I55-Y57 HydrophobicContact CB-CD2 4.39Å; I55-Y57 HydrophobicContact CB-CE2 3.64Å; I55-Y57 HydrophobicContact CG2-CD2 4.11Å; I55-Y57 HydrophobicContact CG2-CE1 4.43Å; I55-Y57 HydrophobicContact CG2-CE2 3.59Å; I55-Y57 VanDerWaalsContact O-CD2 3.31Å; I55-Y57 WeakPolarHBondContact O-CD2 3.48Å; I55-Y57 WeakPolarHBondContact O-CE2 3.47Å; I55-F102 HydrophobicContact CG2-CB 3.83Å; I55-F102 HydrophobicContact CG2-CD2 4.2Å; I55-F102 HydrophobicContact CG2-CG 4.37Å; I55-C116 HydrophobicContact CD1-CB 4.39Å
56	D	83.5	Confident	71.9	Confident	42 Å²	42	64.1 Å²	64.1	23%	0.225	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.4	172.8	-70.3	-37.4	0	0	0	109.7	K49 M51 Y58	K49-D56 HydrophobicContact CD-CB 4.48Å; K49-D56 WeakPolarHBondContact CD-OD1 3.49Å; K49-D56 WeakPolarHBondContact CE-OD1 3.48Å; K49-D56 IonicContact NZ-OD1 2.81Å; K49-D56 PolarHBondContact NZ-OD1 3.19Å; K49-D56 IonicContact NZ-OD2 2.94Å; K49-D56 PolarHBondContact NZ-OD2 2.86Å; M51-D56 WeakPolarHBondContact CE-OD1 3.31Å; M51-D56 WeakPolarHBondContact CG-OD1 3.27Å; D56-Y58 HydrophobicContact CB-CE2 3.75Å
57	Y	84.2	Confident	72	Confident	3 Å²	3	69.7 Å²	69.7	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.3	175.2	-61.7	-102.3	0	0	0	109.7	I30 L34 L50 I55 I101 F102 M114	I30-Y57 HydrophobicContact CG2-CE1 4.43Å; L34-Y57 HydrophobicContact CD1-CD1 4.27Å; L34-Y57 HydrophobicContact CD1-CG 4.25Å; L34-Y57 HydrophobicContact CD2-CD2 3.57Å; L34-Y57 HydrophobicContact CD2-CE2 4.23Å; L34-Y57 HydrophobicContact CD2-CG 3.75Å; L50-Y57 PolarHBondContact N-O 2.86Å; L50-Y57 PolarHBondContact O-N 3.49Å; I55-Y57 HydrophobicContact CB-CD2 4.39Å; I55-Y57 HydrophobicContact CB-CE2 3.64Å; I55-Y57 HydrophobicContact CG2-CD2 4.11Å; I55-Y57 HydrophobicContact CG2-CE1 4.43Å; I55-Y57 HydrophobicContact CG2-CE2 3.59Å; I55-Y57 VanDerWaalsContact O-CD2 3.31Å; I55-Y57 WeakPolarHBondContact O-CD2 3.48Å; I55-Y57 WeakPolarHBondContact O-CE2 3.47Å; Y57-I101 WeakPolarHBondContact CA-O 3.47Å; Y57-F102 HydrophobicContact CD1-CB 3.85Å; Y57-F102 AromaticContact CD1-CD1 3.92Å; Y57-F102 HydrophobicContact CD1-CD1 3.92Å; Y57-F102 HydrophobicContact CD1-CG 4.07Å; Y57-F102 HydrophobicContact CE1-CB 4.05Å; Y57-F102 AromaticContact CE1-CD1 3.81Å; Y57-F102 HydrophobicContact CE1-CD1 3.81Å; Y57-F102 HydrophobicContact CE1-CE1 4.39Å; Y57-F102 AromaticContact CE1-CG 3.88Å; Y57-F102 HydrophobicContact CE1-CG 3.88Å; Y57-F102 HydrophobicContact CG-CB 4.32Å; Y57-M114 WeakPolarHBondContact CE1-O 3.43Å; Y57-M114 PolarHBondContact OH-O 3.12Å
58	Y	82.4	Confident	71.9	Confident	51 Å²	51	69.6 Å²	69.6	20%	0.2	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.8	-179.2	-60.1	-92.8	0	0	0	109	K49 D56 G60 Y63 L100 I101	K49-Y58 HydrophobicContact CB-CD1 4.34Å; K49-Y58 HydrophobicContact CB-CE1 3.79Å; D56-Y58 HydrophobicContact CB-CE2 3.75Å; Y58-G60 PolarHBondContact O-N 2.91Å; Y58-Y63 AromaticContact CD2-CD2 3.6Å; Y58-Y63 HydrophobicContact CD2-CD2 3.6Å; Y58-Y63 HydrophobicContact CD2-CE2 4.18Å; Y58-Y63 HydrophobicContact CE2-CD2 4.21Å; Y58-Y63 HydrophobicContact CE2-CE2 4.44Å; Y58-Y63 AromaticContact CG-CD2 3.83Å; Y58-Y63 HydrophobicContact CG-CD2 3.83Å; Y58-L100 WeakPolarHBondContact O-CA 3.4Å; Y58-I101 PolarHBondContact N-O 3.18Å; Y58-I101 PolarHBondContact O-N 2.81Å
59	P	80	Confident	72.1	Confident	8 Å²	8	69 Å²	69	5%	0.052	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.2	168.8	29	-32.2	0	0	0	108.3	R61 Q62 L91 A97	P59-R61 PolarHBondContact O-N 3.44Å; P59-Q62 HydrophobicContact CG-CB 4.02Å; P59-Q62 HydrophobicContact CG-CG 4.09Å; P59-Q62 PolarHBondContact O-N 3.48Å; P59-L91 HydrophobicContact CB-CD1 4.36Å; P59-L91 HydrophobicContact CB-CG 4.43Å; P59-A97 HydrophobicContact CB-CB 3.83Å
60	G	70.3	Confident	72	Confident	27 Å²	27	71.5 Å²	71.5	28%	0.278	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.2	-159.2	0	0	0	0	0	117.3	Y58 T99 I101	Y58-G60 PolarHBondContact O-N 2.91Å; G60-T99 PolarHBondContact N-O 3.4Å; G60-I101 WeakPolarHBondContact O-CD1 3.19Å
61	R	66.6	Low	72.1	Confident	161 Å²	161	72.7 Å²	72.7	61%	0.608	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.5	178.3	-51.2	-169.9	176.3	-173	-4.7	115.1	P59 L91	P59-R61 PolarHBondContact O-N 3.44Å; R61-L91 HydrophobicContact CB-CD2 3.54Å; R61-L91 HydrophobicContact CG-CD2 3.62Å
62	Q	65.9	Low	72.4	Confident	52 Å²	52	74.6 Å²	74.6	24%	0.243	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	1.7	-178.3	-62.5	-174.8	-50.6	0	0	112.9	P59 Y64	P59-Q62 HydrophobicContact CG-CB 4.02Å; P59-Q62 HydrophobicContact CG-CG 4.09Å; P59-Q62 PolarHBondContact O-N 3.48Å; Q62-Y64 PolarHBondContact O-N 3.13Å
63	Y	70.6	Confident	72.6	Confident	29 Å²	29	73.7 Å²	73.7	11%	0.114	41%	0.408	C	S	.	.			trans	-72.5	110.7	176.2	178.5	-103.2	0	0	0	110	Y58 P65 R74 I101 E103	Y58-Y63 AromaticContact CD2-CD2 3.6Å; Y58-Y63 HydrophobicContact CD2-CD2 3.6Å; Y58-Y63 HydrophobicContact CD2-CE2 4.18Å; Y58-Y63 HydrophobicContact CE2-CD2 4.21Å; Y58-Y63 HydrophobicContact CE2-CE2 4.44Å; Y58-Y63 AromaticContact CG-CD2 3.83Å; Y58-Y63 HydrophobicContact CG-CD2 3.83Å; Y63-P65 HydrophobicContact CE1-CB 4.01Å; Y63-R74 HydrophobicContact CE1-CG 4.37Å; Y63-I101 HydrophobicContact CD1-CD1 4.13Å; Y63-I101 HydrophobicContact CD1-CG2 3.83Å; Y63-I101 HydrophobicContact CD2-CB 4.07Å; Y63-I101 HydrophobicContact CD2-CG2 3.52Å; Y63-I101 HydrophobicContact CE1-CG2 4.03Å; Y63-I101 HydrophobicContact CE2-CG2 3.76Å; Y63-I101 HydrophobicContact CG-CB 3.98Å; Y63-I101 HydrophobicContact CG-CD1 3.96Å; Y63-I101 HydrophobicContact CG-CG2 3.55Å; Y63-E103 HydrophobicContact CE2-CG 4.07Å; Y63-E103 WeakPolarHBondContact OH-CG 2.81Å; Y63-E103 PolarHBondContact OH-OE1 3.13Å
64	Y	63.6	Low	72.9	Confident	162 Å²	162	72.5 Å²	72.5	64%	0.635	39%	0.393	S	S	*	.			trans	-93	122.7	162.3	-79.3	-91.4	0	0	0	107.4	Q62 G66	Q62-Y64 PolarHBondContact O-N 3.13Å; Y64-G66 VanDerWaalsContact C-N 3.33Å; Y64-G66 PolarHBondContact O-N 3.27Å
65	P	64.1	Low	73.1	Confident	58 Å²	58	69.3 Å²	69.3	38%	0.377	36%	0.36	S	S	.	.			trans	-63.1	103.1	167.7	25.7	-29.2	0	0	0	106.6	Y63 L67	Y63-P65 HydrophobicContact CE1-CB 4.01Å; P65-L67 PolarHBondContact O-N 2.91Å
66	G	58.5	Low	73.4	Confident	47 Å²	47	72.6 Å²	72.6	49%	0.485	37%	0.374	S	S	.	.			trans	-54.2	141.4	166	0	0	0	0	0	107.5	Y64 S68	Y64-G66 VanDerWaalsContact C-N 3.33Å; Y64-G66 PolarHBondContact O-N 3.27Å; G66-S68 WeakPolarHBondContact O-CA 3.49Å; G66-S68 PolarHBondContact O-N 2.78Å
67	L	54.7	Low	73.6	Confident	173 Å²	173	71.9 Å²	71.9	91%	0.906	37%	0.369	S	S	*	.	S	Bend	trans	-28.1	104.7	-174.6	-83	81.5	0	0	0	110.9	P65 S69	P65-L67 PolarHBondContact O-N 2.91Å; L67-S69 PolarHBondContact O-N 3.12Å
68	S	54.5	Low	73.7	Confident	81 Å²	81	77.2 Å²	77.2	57%	0.566	39%	0.394	S	S	*	.			trans	-41.6	91.5	-169.2	178	0	0	0	0	111.5	G66 P70	G66-S68 WeakPolarHBondContact O-CA 3.49Å; G66-S68 PolarHBondContact O-N 2.78Å; S68-P70 WeakPolarHBondContact O-CD 3.44Å
69	S	65.4	Low	73.7	Confident	51 Å²	51	75.5 Å²	75.5	36%	0.357	39%	0.388	S	S	.	.			trans	-71.3	121.5	170.9	-169.7	0	0	0	0	106.1	L67 S71 R72	L67-S69 PolarHBondContact O-N 3.12Å; S69-S71 PolarHBondContact O-N 3.19Å; S69-S71 PolarHBondContact OG-OG 3.38Å; S69-R72 PolarHBondContact O-N 2.68Å
70	P	70.2	Confident	73.9	Confident	125 Å²	125	80.1 Å²	80.1	81%	0.812	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-8	177.7	26.7	-34.9	0	0	0	112.4	S68	S68-P70 WeakPolarHBondContact O-CD 3.44Å
71	S	78.1	Confident	74.4	Confident	34 Å²	34	86.8 Å²	86.8	24%	0.238	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.5	173.3	70.3	0	0	0	0	114.2	S69 D105 A106	S69-S71 PolarHBondContact O-N 3.19Å; S69-S71 PolarHBondContact OG-OG 3.38Å; S71-D105 CarbonylContact O-C 3.56Å; S71-D105 WeakPolarHBondContact O-CA 3.43Å; S71-D105 VanDerWaalsContact O-OD1 3.06Å; S71-A106 PolarHBondContact O-N 2.93Å
72	R	83.2	Confident	75	Confident	144 Å²	144	83.1 Å²	83.1	54%	0.543	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.5	179.9	-66	-168	177.7	-161.5	-2.8	112.3	S69 E103 C104	S69-R72 PolarHBondContact O-N 2.68Å; R72-E103 WeakPolarHBondContact CD-OE2 3.41Å; R72-E103 IonicContact CZ-OE2 3.74Å; R72-E103 IonicContact NE-OE2 3.84Å; R72-E103 IonicContact NH1-OE2 2.82Å; R72-E103 PolarHBondContact NH1-OE2 2.05Å; R72-C104 CarbonylContact C-O 3.6Å; R72-C104 VanDerWaalsContact CA-O 3.23Å; R72-C104 WeakPolarHBondContact CA-O 3.3Å
73	I	84.3	Confident	75.7	Confident	53 Å²	53	80.9 Å²	80.9	27%	0.272	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.3	169.6	53.8	174.1	0	0	0	109.7	E103 C104 A106	I73-E103 CarbonylContact O-C 3.57Å; I73-E103 VanDerWaalsContact O-CA 3.29Å; I73-E103 WeakPolarHBondContact O-CA 3.15Å; I73-C104 HydrophobicContact CD1-CB 4.07Å; I73-C104 HydrophobicContact CG1-CB 3.76Å; I73-C104 WeakPolarHBondContact CG1-O 2.99Å; I73-C104 PolarHBondContact N-O 3.36Å; I73-C104 PolarHBondContact O-N 2.99Å; I73-A106 HydrophobicContact CG2-CB 3.65Å
74	R	86.1	Confident	76	Confident	120 Å²	120	80.1 Å²	80.1	45%	0.453	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.3	172.2	177.4	-179.4	162.9	177.2	-9.2	109.4	Y63 E76 I101	Y63-R74 HydrophobicContact CE1-CG 4.37Å; R74-E76 IonicContact CZ-OE2 2.86Å; R74-E76 IonicContact NE-OE2 3.76Å; R74-E76 IonicContact NH2-OE2 2.81Å; R74-E76 PolarHBondContact NH2-OE2 2.71Å; R74-I101 HydrophobicContact CG-CG2 3.64Å
75	C	87.2	Confident	76.6	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.014	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	173.4	-56.4	0	0	0	0	109.7	I101 F102 C104 C111	C75-I101 WeakPolarHBondContact O-CA 3.41Å; C75-F102 HydrophobicContact CB-CD1 3.97Å; C75-F102 HydrophobicContact CB-CD2 3.69Å; C75-F102 HydrophobicContact CB-CE1 3.59Å; C75-F102 HydrophobicContact CB-CE2 3.29Å; C75-F102 HydrophobicContact CB-CG 4.01Å; C75-F102 HydrophobicContact CB-CZ 3.24Å; C75-F102 PolarHBondContact N-O 2.88Å; C75-F102 PolarHBondContact O-N 2.78Å; C75-C104 PolarHBondContact SG-SG 3.07Å; C75-C111 WeakPolarHBondContact CA-SG 3.42Å; C75-C111 HydrophobicContact CB-CB 3.67Å; C75-C111 WeakPolarHBondContact CB-SG 3.23Å; C75-C111 WeakPolarHBondContact SG-CA 3.39Å; C75-C111 WeakPolarHBondContact SG-CB 3.28Å; C75-C111 CovalentContact SG-SG 2.02Å; C75-C111 PolarHBondContact SG-SG 3.48Å
76	E	88.4	Confident	77.1	Confident	101 Å²	101	78.5 Å²	78.5	47%	0.472	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	179.5	-171.1	165.8	139.5	0	0	109.8	R74 T99 I101	R74-E76 IonicContact CZ-OE2 2.86Å; R74-E76 IonicContact NE-OE2 3.76Å; R74-E76 IonicContact NH2-OE2 2.81Å; R74-E76 PolarHBondContact NH2-OE2 2.71Å; E76-T99 HydrophobicContact CG-CG2 3.36Å; E76-T99 WeakPolarHBondContact OE1-CG2 3.29Å; E76-I101 HydrophobicContact CG-CG1 4.37Å
77	Y	86.5	Confident	77.7	Confident	27 Å²	27	76.7 Å²	76.7	11%	0.106	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.4	178.1	-173.2	-97	0	0	0	110.2	T27 L79 T99 L100 E113 M114	T27-Y77 WeakPolarHBondContact CG2-OH 3.02Å; Y77-L79 HydrophobicContact CD1-CD2 4.33Å; Y77-L79 HydrophobicContact CD1-CG 4.38Å; Y77-L79 HydrophobicContact CE1-CD2 4.24Å; Y77-T99 CarbonylContact O-C 3.55Å; Y77-T99 WeakPolarHBondContact O-CA 3.07Å; Y77-L100 PolarHBondContact N-O 2.94Å; Y77-L100 PolarHBondContact O-N 3.28Å; Y77-E113 HydrophobicContact CD2-CB 4.4Å; Y77-E113 HydrophobicContact CE2-CB 4.06Å; Y77-M114 HydrophobicContact CD1-CG 3.46Å; Y77-M114 VanDerWaalsContact CD1-CG 3.46Å; Y77-M114 HydrophobicContact CD1-SD 3.98Å; Y77-M114 HydrophobicContact CD2-CG 3.53Å; Y77-M114 HydrophobicContact CE1-CG 3.54Å; Y77-M114 HydrophobicContact CE1-SD 3.64Å; Y77-M114 HydrophobicContact CE2-CG 3.61Å; Y77-M114 HydrophobicContact CG-CG 3.43Å; Y77-M114 VanDerWaalsContact CG-CG 3.43Å
78	Q	86.6	Confident	78.4	Confident	116 Å²	116	73.3 Å²	73.3	54%	0.542	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.1	173.7	-63.5	-72.3	29.6	0	0	109.4	T98 T99	Q78-T98 PolarHBondContact OE1-O 2.89Å; Q78-T99 PolarHBondContact OE1-OG1 2.99Å
79	L	83.6	Confident	79.2	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.073	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-73.1	130.3	176.1	-70.8	155.9	0	0	0	109.5	L31 Y77 E83 V84 L87 A97 T98 L100	L31-L79 HydrophobicContact CD2-CD2 3.52Å; Y77-L79 HydrophobicContact CD1-CD2 4.33Å; Y77-L79 HydrophobicContact CD1-CG 4.38Å; Y77-L79 HydrophobicContact CE1-CD2 4.24Å; L79-E83 HydrophobicContact CB-CB 4.42Å; L79-E83 HydrophobicContact CD2-CB 3.8Å; L79-V84 HydrophobicContact CB-CG2 3.61Å; L79-L87 HydrophobicContact CD1-CD1 3.78Å; L79-L87 HydrophobicContact CD2-CD1 3.37Å; L79-L87 HydrophobicContact CG-CD1 4.23Å; L79-A97 VanDerWaalsContact CD1-O 3.3Å; L79-A97 WeakPolarHBondContact CD1-O 3.33Å; L79-T98 WeakPolarHBondContact CB-O 3.36Å; L79-T98 PolarHBondContact N-O 2.02Å; L79-L100 HydrophobicContact CD1-CD1 3.93Å; L79-L100 HydrophobicContact CD1-CG 3.78Å; L79-L100 HydrophobicContact CD2-CD1 3.87Å; L79-L100 HydrophobicContact CG-CD1 4.07Å; L79-L100 HydrophobicContact CG-CG 4.26Å
80	K	83.5	Confident	79.3	Confident	106 Å²	106	68.6 Å²	68.6	46%	0.461	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-73.8	158.1	170.6	-65.3	178	-179.5	-179.6	0	110.2	D82 E83 V84	K80-D82 WeakPolarHBondContact CB-OD1 3Å; K80-D82 PolarHBondContact O-N 3.49Å; K80-D82 VanDerWaalsContact O-N 3.13Å; K80-E83 HydrophobicContact CB-CG 4.32Å; K80-E83 PolarHBondContact N-OE2 2.81Å; K80-E83 WeakPolarHBondContact O-CA 3.31Å; K80-E83 WeakPolarHBondContact O-CB 3.43Å; K80-E83 PolarHBondContact O-N 2.79Å; K80-V84 WeakPolarHBondContact O-CG2 3.37Å; K80-V84 PolarHBondContact O-N 3.36Å
81	E	79.8	Confident	79.2	Confident	166 Å²	166	63.5 Å²	63.5	78%	0.776	31%	0.308	S	S	*	.	H	α-helix	trans	-54.3	-35.8	-178	-67.7	174.2	-178.9	0	0	113.2	E83 N85	E81-E83 VanDerWaalsContact C-N 3.31Å; E81-E83 PolarHBondContact O-N 2.9Å; E81-N85 PolarHBondContact O-N 3.38Å; E81-N85 VanDerWaalsContact O-N 3.1Å; E81-N85 PolarHBondContact O-ND2 3.43Å
82	D	80	Confident	78.5	Confident	84 Å²	84	65.5 Å²	65.5	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-37.3	174	57.8	-54.4	0	0	0	112.5	K23 K80 T86	K23-D82 IonicContact NZ-OD1 2.99Å; K23-D82 IonicContact NZ-OD2 3.73Å; K23-D82 PolarHBondContact NZ-OD2 2.84Å; K80-D82 WeakPolarHBondContact CB-OD1 3Å; K80-D82 PolarHBondContact O-N 3.49Å; K80-D82 VanDerWaalsContact O-N 3.13Å; D82-T86 PolarHBondContact O-N 2.9Å; D82-T86 VanDerWaalsContact O-N 3.07Å; D82-T86 PolarHBondContact O-OG1 2.94Å
83	E	80	Confident	77.6	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.023	34%	0.34	C	S	.	.	H	α-helix	trans	-80.1	-38.4	-177.8	-57.6	168.6	171	0	0	111	K23 L31 L79 K80 E81 N85 T86 L87	K23-E83 WeakPolarHBondContact CE-OE1 3.26Å; K23-E83 IonicContact NZ-OE1 3.9Å; K23-E83 PolarHBondContact NZ-OE1 2.7Å; L31-E83 HydrophobicContact CD1-CB 3.88Å; L31-E83 HydrophobicContact CD1-CG 3.57Å; L31-E83 HydrophobicContact CD2-CB 4.16Å; L79-E83 HydrophobicContact CB-CB 4.42Å; L79-E83 HydrophobicContact CD2-CB 3.8Å; K80-E83 HydrophobicContact CB-CG 4.32Å; K80-E83 PolarHBondContact N-OE2 2.81Å; K80-E83 WeakPolarHBondContact O-CA 3.31Å; K80-E83 WeakPolarHBondContact O-CB 3.43Å; K80-E83 PolarHBondContact O-N 2.79Å; E81-E83 VanDerWaalsContact C-N 3.31Å; E81-E83 PolarHBondContact O-N 2.9Å; E83-N85 VanDerWaalsContact C-N 3.28Å; E83-N85 PolarHBondContact O-N 3.39Å; E83-T86 PolarHBondContact O-N 3.28Å; E83-T86 VanDerWaalsContact O-N 3.13Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 WeakPolarHBondContact O-CG 3.17Å; E83-L87 PolarHBondContact O-N 2.85Å
84	V	78.5	Confident	76.8	Confident	14 Å²	14	64.7 Å²	64.7	9%	0.085	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-44.1	171.9	176.2	0	0	0	0	110.5	L79 K80 N88 R96	L79-V84 HydrophobicContact CB-CG2 3.61Å; K80-V84 WeakPolarHBondContact O-CG2 3.37Å; K80-V84 PolarHBondContact O-N 3.36Å; V84-N88 PolarHBondContact O-N 3.49Å; V84-R96 HydrophobicContact CG1-CB 3.72Å; V84-R96 HydrophobicContact CG1-CG 4.35Å
85	N	75.8	Confident	76.2	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-37.5	175.9	-74.3	-39.8	0	0	0	112.4	E81 E83 R96	E81-N85 PolarHBondContact O-N 3.38Å; E81-N85 VanDerWaalsContact O-N 3.1Å; E81-N85 PolarHBondContact O-ND2 3.43Å; E83-N85 VanDerWaalsContact C-N 3.28Å; E83-N85 PolarHBondContact O-N 3.39Å; N85-R96 PolarHBondContact OD1-NH1 3.12Å
86	T	74.7	Confident	75.6	Confident	93 Å²	93	67.8 Å²	67.8	57%	0.571	37%	0.373	S	S	*	.	H	α-helix	trans	-67.1	-41.2	178.9	-58	0	0	0	0	112	D82 E83	D82-T86 PolarHBondContact O-N 2.9Å; D82-T86 VanDerWaalsContact O-N 3.07Å; D82-T86 PolarHBondContact O-OG1 2.94Å; E83-T86 PolarHBondContact O-N 3.28Å; E83-T86 VanDerWaalsContact O-N 3.13Å
87	L	71	Confident	75.1	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-76.6	-33.2	-179.5	-67.7	170.6	0	0	0	112.1	L31 L34 A35 L79 E83 F89 L100	L31-L87 HydrophobicContact CB-CD2 4.04Å; L31-L87 HydrophobicContact CD2-CD1 3.5Å; L31-L87 VanDerWaalsContact CD2-CD1 3.5Å; L31-L87 HydrophobicContact CD2-CD2 3.75Å; L31-L87 HydrophobicContact CD2-CG 3.76Å; L31-L87 WeakPolarHBondContact O-CD2 3.42Å; L34-L87 HydrophobicContact CB-CD2 4.04Å; A35-L87 HydrophobicContact CB-CD2 4.21Å; L79-L87 HydrophobicContact CD1-CD1 3.78Å; L79-L87 HydrophobicContact CD2-CD1 3.37Å; L79-L87 HydrophobicContact CG-CD1 4.23Å; E83-L87 WeakPolarHBondContact O-CB 3.49Å; E83-L87 WeakPolarHBondContact O-CG 3.17Å; E83-L87 PolarHBondContact O-N 2.85Å; L87-F89 HydrophobicContact CB-CD1 3.85Å; L87-F89 HydrophobicContact CB-CD2 3.67Å; L87-F89 HydrophobicContact CB-CE1 3.74Å; L87-F89 HydrophobicContact CB-CE2 3.64Å; L87-F89 HydrophobicContact CB-CG 3.77Å; L87-F89 HydrophobicContact CB-CZ 3.65Å; L87-F89 HydrophobicContact CD1-CD2 3.84Å; L87-F89 HydrophobicContact CD1-CE2 3.63Å; L87-F89 HydrophobicContact CD1-CZ 4.3Å; L87-F89 HydrophobicContact CD2-CD2 4.29Å; L87-F89 HydrophobicContact CD2-CE1 4.09Å; L87-F89 HydrophobicContact CD2-CE2 3.39Å; L87-F89 HydrophobicContact CD2-CZ 3.25Å; L87-F89 HydrophobicContact CG-CD2 4.15Å; L87-F89 HydrophobicContact CG-CE1 4.46Å; L87-F89 HydrophobicContact CG-CE2 3.73Å; L87-F89 HydrophobicContact CG-CZ 3.88Å; L87-F89 WeakPolarHBondContact O-CD1 3.47Å; L87-F89 WeakPolarHBondContact O-CE1 3.29Å; L87-F89 PolarHBondContact O-N 3.02Å; L87-F89 VanDerWaalsContact O-N 3.08Å; L87-L100 HydrophobicContact CD1-CD1 4.41Å
88	N	69.3	Low	74.9	Confident	102 Å²	102	65.9 Å²	65.9	55%	0.545	37%	0.372	S	S	.	.			trans	48.1	34.3	-174.2	-161.3	21.6	0	0	0	113.4	V84 S90	V84-N88 PolarHBondContact O-N 3.49Å; N88-S90 PolarHBondContact O-N 2.93Å
89	F	71.6	Confident	74.7	Confident	5 Å²	5	61.2 Å²	61.2	2%	0.022	35%	0.351	C	S	.	.			trans	-78	112.7	179	-62	-15	0	0	0	109.5	L34 A35 Y38 L50 L87 R96 A97	L34-F89 VanDerWaalsContact C-CZ 3.42Å; L34-F89 HydrophobicContact CB-CE2 4.05Å; L34-F89 HydrophobicContact CB-CZ 3.89Å; L34-F89 VanDerWaalsContact O-CZ 3.3Å; L34-F89 WeakPolarHBondContact O-CZ 3.44Å; A35-F89 HydrophobicContact CB-CE1 4.47Å; A35-F89 HydrophobicContact CB-CZ 4.5Å; Y38-F89 AromaticContact CD1-CD1 3.33Å; Y38-F89 HydrophobicContact CD1-CD1 3.33Å; Y38-F89 AromaticContact CD1-CE1 3.77Å; Y38-F89 HydrophobicContact CD1-CE1 3.77Å; Y38-F89 HydrophobicContact CD1-CG 4.39Å; Y38-F89 HydrophobicContact CD2-CB 4.29Å; Y38-F89 AromaticContact CD2-CD1 3.49Å; Y38-F89 HydrophobicContact CD2-CD1 3.49Å; Y38-F89 VanDerWaalsContact CD2-CD1 3.49Å; Y38-F89 HydrophobicContact CD2-CE1 4.04Å; Y38-F89 AromaticContact CD2-CG 3.92Å; Y38-F89 HydrophobicContact CD2-CG 3.92Å; Y38-F89 AromaticContact CE1-CD1 3.91Å; Y38-F89 HydrophobicContact CE1-CD1 3.91Å; Y38-F89 HydrophobicContact CE2-CB 4.13Å; Y38-F89 HydrophobicContact CE2-CD1 4.05Å; Y38-F89 HydrophobicContact CE2-CG 4.26Å; Y38-F89 AromaticContact CG-CD1 3.1Å; Y38-F89 HydrophobicContact CG-CD1 3.1Å; Y38-F89 AromaticContact CG-CE1 3.36Å; Y38-F89 HydrophobicContact CG-CE1 3.36Å; Y38-F89 AromaticContact CG-CG 4Å; Y38-F89 HydrophobicContact CG-CG 4Å; Y38-F89 HydrophobicContact CG-CZ 4.34Å; L50-F89 HydrophobicContact CD1-CE2 4.41Å; L50-F89 HydrophobicContact CD2-CE1 4.37Å; L50-F89 HydrophobicContact CD2-CE2 3.94Å; L50-F89 HydrophobicContact CD2-CZ 3.83Å; L87-F89 HydrophobicContact CB-CD1 3.85Å; L87-F89 HydrophobicContact CB-CD2 3.67Å; L87-F89 HydrophobicContact CB-CE1 3.74Å; L87-F89 HydrophobicContact CB-CE2 3.64Å; L87-F89 HydrophobicContact CB-CG 3.77Å; L87-F89 HydrophobicContact CB-CZ 3.65Å; L87-F89 HydrophobicContact CD1-CD2 3.84Å; L87-F89 HydrophobicContact CD1-CE2 3.63Å; L87-F89 HydrophobicContact CD1-CZ 4.3Å; L87-F89 HydrophobicContact CD2-CD2 4.29Å; L87-F89 HydrophobicContact CD2-CE1 4.09Å; L87-F89 HydrophobicContact CD2-CE2 3.39Å; L87-F89 HydrophobicContact CD2-CZ 3.25Å; L87-F89 HydrophobicContact CG-CD2 4.15Å; L87-F89 HydrophobicContact CG-CE1 4.46Å; L87-F89 HydrophobicContact CG-CE2 3.73Å; L87-F89 HydrophobicContact CG-CZ 3.88Å; L87-F89 WeakPolarHBondContact O-CD1 3.47Å; L87-F89 WeakPolarHBondContact O-CE1 3.29Å; L87-F89 PolarHBondContact O-N 3.02Å; L87-F89 VanDerWaalsContact O-N 3.08Å; F89-R96 CarbonylContact O-C 3.59Å; F89-R96 VanDerWaalsContact O-CA 3.25Å; F89-R96 WeakPolarHBondContact O-CA 3.44Å; F89-A97 HydrophobicContact CB-CB 4.05Å; F89-A97 PolarHBondContact O-N 2.97Å
90	S	67.8	Low	74.7	Confident	29 Å²	29	60.6 Å²	60.6	20%	0.203	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-95.1	127.4	166	34.8	0	0	0	0	109	Y38 K42 N88 T95	Y38-S90 PolarHBondContact OH-N 3.47Å; Y38-S90 PolarHBondContact OH-O 2.9Å; Y38-S90 PolarHBondContact OH-OG 2.76Å; K42-S90 PolarHBondContact NZ-OG 2.82Å; N88-S90 PolarHBondContact O-N 2.93Å; S90-T95 CarbonylContact C-O 3.57Å; S90-T95 WeakPolarHBondContact CA-O 3.28Å
91	L	67.4	Low	74.9	Confident	17 Å²	17	55.6 Å²	55.6	9%	0.089	33%	0.326	C	S	.	.			trans	-63.9	164.3	163.9	-76.1	79.7	0	0	0	108.8	P59 R61 N93 G94 T95 A97	P59-L91 HydrophobicContact CB-CD1 4.36Å; P59-L91 HydrophobicContact CB-CG 4.43Å; R61-L91 HydrophobicContact CB-CD2 3.54Å; R61-L91 HydrophobicContact CG-CD2 3.62Å; L91-N93 PolarHBondContact O-N 2.75Å; L91-G94 PolarHBondContact O-N 2.89Å; L91-T95 WeakPolarHBondContact CB-O 3.49Å; L91-T95 VanDerWaalsContact CD1-O 3.26Å; L91-T95 WeakPolarHBondContact CD1-O 3.31Å; L91-T95 PolarHBondContact N-O 3.31Å; L91-A97 HydrophobicContact CD1-CB 3.51Å; L91-A97 VanDerWaalsContact CD1-N 3.31Å
92	G	63.1	Low	75.3	Confident	76 Å²	76	47.7 Å²	47.7	78%	0.784	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.6	179.6	0	0	0	0	0	115
93	N	64.5	Low	75.6	Confident	122 Å²	122	45.8 Å²	45.8	65%	0.652	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	17.4	175.7	-159.5	13.1	0	0	0	113.8	L91 T95	L91-N93 PolarHBondContact O-N 2.75Å; N93-T95 PolarHBondContact O-N 3.42Å
94	G	67.7	Low	75.9	Confident	59 Å²	59	45.8 Å²	45.8	61%	0.608	28%	0.278	S	S	*	.	S	Bend	trans	71.7	-8.9	-178.6	0	0	0	0	0	115.6	L91	L91-G94 PolarHBondContact O-N 2.89Å
95	T	74.1	Confident	76.3	Confident	55 Å²	55	47.6 Å²	47.6	34%	0.337	29%	0.287	S	S	.	.			trans	-70.4	139	176.5	35.8	0	0	0	0	110.9	S90 L91 N93	S90-T95 CarbonylContact C-O 3.57Å; S90-T95 WeakPolarHBondContact CA-O 3.28Å; L91-T95 WeakPolarHBondContact CB-O 3.49Å; L91-T95 VanDerWaalsContact CD1-O 3.26Å; L91-T95 WeakPolarHBondContact CD1-O 3.31Å; L91-T95 PolarHBondContact N-O 3.31Å; N93-T95 PolarHBondContact O-N 3.42Å
96	R	74.4	Confident	76.7	Confident	131 Å²	131	45.1 Å²	45.1	49%	0.494	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-74.1	140.9	179	-64.4	-179.7	177.4	-173	-6.7	110.8	V84 N85 F89 T98	V84-R96 HydrophobicContact CG1-CB 3.72Å; V84-R96 HydrophobicContact CG1-CG 4.35Å; N85-R96 PolarHBondContact OD1-NH1 3.12Å; F89-R96 CarbonylContact O-C 3.59Å; F89-R96 VanDerWaalsContact O-CA 3.25Å; F89-R96 WeakPolarHBondContact O-CA 3.44Å; R96-T98 PolarHBondContact O-N 3.42Å
97	A	76.5	Confident	77	Confident	5 Å²	5	50.8 Å²	50.8	4%	0.041	29%	0.291	C	S	.	.			trans	-71.4	115	174.1	0	0	0	0	0	109.6	P59 L79 F89 L91	P59-A97 HydrophobicContact CB-CB 3.83Å; L79-A97 VanDerWaalsContact CD1-O 3.3Å; L79-A97 WeakPolarHBondContact CD1-O 3.33Å; F89-A97 HydrophobicContact CB-CB 4.05Å; F89-A97 PolarHBondContact O-N 2.97Å; L91-A97 HydrophobicContact CD1-CB 3.51Å; L91-A97 VanDerWaalsContact CD1-N 3.31Å
98	T	82.8	Confident	77.6	Confident	83 Å²	83	53 Å²	53	51%	0.509	31%	0.305	S	S	.	.			trans	-95.3	-10.8	174.1	54.2	0	0	0	0	112.6	Q78 L79 R96	Q78-T98 PolarHBondContact OE1-O 2.89Å; L79-T98 WeakPolarHBondContact CB-O 3.36Å; L79-T98 PolarHBondContact N-O 2.02Å; R96-T98 PolarHBondContact O-N 3.42Å
99	T	83.2	Confident	78.5	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136.8	-171.6	-45.7	0	0	0	0	109.3	G60 E76 Y77 Q78	G60-T99 PolarHBondContact N-O 3.4Å; E76-T99 HydrophobicContact CG-CG2 3.36Å; E76-T99 WeakPolarHBondContact OE1-CG2 3.29Å; Y77-T99 CarbonylContact O-C 3.55Å; Y77-T99 WeakPolarHBondContact O-CA 3.07Å; Q78-T99 PolarHBondContact OE1-OG1 2.99Å
100	L	84.1	Confident	79.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.8	172.2	-70.6	167.1	0	0	0	109.3	L34 Y58 Y77 L79 L87 M114	L34-L100 HydrophobicContact CD1-CD1 3.77Å; Y58-L100 WeakPolarHBondContact O-CA 3.4Å; Y77-L100 PolarHBondContact N-O 2.94Å; Y77-L100 PolarHBondContact O-N 3.28Å; L79-L100 HydrophobicContact CD1-CD1 3.93Å; L79-L100 HydrophobicContact CD1-CG 3.78Å; L79-L100 HydrophobicContact CD2-CD1 3.87Å; L79-L100 HydrophobicContact CG-CD1 4.07Å; L79-L100 HydrophobicContact CG-CG 4.26Å; L87-L100 HydrophobicContact CD1-CD1 4.41Å; L100-M114 HydrophobicContact CD1-CE 3.88Å
101	I	87	Confident	80.2	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.4	177.3	-58.5	166.3	0	0	0	108.2	Y57 Y58 G60 Y63 R74 C75 E76	Y57-I101 WeakPolarHBondContact CA-O 3.47Å; Y58-I101 PolarHBondContact N-O 3.18Å; Y58-I101 PolarHBondContact O-N 2.81Å; G60-I101 WeakPolarHBondContact O-CD1 3.19Å; Y63-I101 HydrophobicContact CD1-CD1 4.13Å; Y63-I101 HydrophobicContact CD1-CG2 3.83Å; Y63-I101 HydrophobicContact CD2-CB 4.07Å; Y63-I101 HydrophobicContact CD2-CG2 3.52Å; Y63-I101 HydrophobicContact CE1-CG2 4.03Å; Y63-I101 HydrophobicContact CE2-CG2 3.76Å; Y63-I101 HydrophobicContact CG-CB 3.98Å; Y63-I101 HydrophobicContact CG-CD1 3.96Å; Y63-I101 HydrophobicContact CG-CG2 3.55Å; R74-I101 HydrophobicContact CG-CG2 3.64Å; C75-I101 WeakPolarHBondContact O-CA 3.41Å; E76-I101 HydrophobicContact CG-CG1 4.37Å
102	F	86.9	Confident	81.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.1	175.4	60	-80.8	0	0	0	109.7	I55 Y57 C75 E113	I55-F102 HydrophobicContact CG2-CB 3.83Å; I55-F102 HydrophobicContact CG2-CD2 4.2Å; I55-F102 HydrophobicContact CG2-CG 4.37Å; Y57-F102 HydrophobicContact CD1-CB 3.85Å; Y57-F102 AromaticContact CD1-CD1 3.92Å; Y57-F102 HydrophobicContact CD1-CD1 3.92Å; Y57-F102 HydrophobicContact CD1-CG 4.07Å; Y57-F102 HydrophobicContact CE1-CB 4.05Å; Y57-F102 AromaticContact CE1-CD1 3.81Å; Y57-F102 HydrophobicContact CE1-CD1 3.81Å; Y57-F102 HydrophobicContact CE1-CE1 4.39Å; Y57-F102 AromaticContact CE1-CG 3.88Å; Y57-F102 HydrophobicContact CE1-CG 3.88Å; Y57-F102 HydrophobicContact CG-CB 4.32Å; C75-F102 HydrophobicContact CB-CD1 3.97Å; C75-F102 HydrophobicContact CB-CD2 3.69Å; C75-F102 HydrophobicContact CB-CE1 3.59Å; C75-F102 HydrophobicContact CB-CE2 3.29Å; C75-F102 HydrophobicContact CB-CG 4.01Å; C75-F102 HydrophobicContact CB-CZ 3.24Å; C75-F102 PolarHBondContact N-O 2.88Å; C75-F102 PolarHBondContact O-N 2.78Å; F102-E113 VanDerWaalsContact CZ-O 3.31Å; F102-E113 WeakPolarHBondContact CZ-O 3.41Å
103	E	86.8	Confident	82.2	Confident	44 Å²	44	57.4 Å²	57.4	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139	-179.9	-64.8	179.6	168.5	0	0	111.2	Y63 R72 I73	Y63-E103 HydrophobicContact CE2-CG 4.07Å; Y63-E103 WeakPolarHBondContact OH-CG 2.81Å; Y63-E103 PolarHBondContact OH-OE1 3.13Å; R72-E103 WeakPolarHBondContact CD-OE2 3.41Å; R72-E103 IonicContact CZ-OE2 3.74Å; R72-E103 IonicContact NE-OE2 3.84Å; R72-E103 IonicContact NH1-OE2 2.82Å; R72-E103 PolarHBondContact NH1-OE2 2.05Å; I73-E103 CarbonylContact O-C 3.57Å; I73-E103 VanDerWaalsContact O-CA 3.29Å; I73-E103 WeakPolarHBondContact O-CA 3.15Å
104	C	87.2	Confident	83	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.027	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.8	172.7	-58.2	0	0	0	0	110.9	R72 I73 C75 A106 Q109 C116	R72-C104 CarbonylContact C-O 3.6Å; R72-C104 VanDerWaalsContact CA-O 3.23Å; R72-C104 WeakPolarHBondContact CA-O 3.3Å; I73-C104 HydrophobicContact CD1-CB 4.07Å; I73-C104 HydrophobicContact CG1-CB 3.76Å; I73-C104 WeakPolarHBondContact CG1-O 2.99Å; I73-C104 PolarHBondContact N-O 3.36Å; I73-C104 PolarHBondContact O-N 2.99Å; C75-C104 PolarHBondContact SG-SG 3.07Å; C104-A106 PolarHBondContact O-N 3.08Å; C104-Q109 HydrophobicContact CB-CB 4.08Å; C104-C116 WeakPolarHBondContact CA-SG 3.19Å; C104-C116 HydrophobicContact CB-CB 3.66Å; C104-C116 WeakPolarHBondContact CB-SG 2.87Å; C104-C116 WeakPolarHBondContact SG-CA 3.32Å; C104-C116 WeakPolarHBondContact SG-CB 3.49Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.16Å
105	D	86.2	Confident	84	Confident	52 Å²	52	53.7 Å²	53.7	28%	0.278	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	114.8	175.2	-179.4	-2.5	0	0	0	110.7	S71 R107 T108 Q109	S71-D105 CarbonylContact O-C 3.56Å; S71-D105 WeakPolarHBondContact O-CA 3.43Å; S71-D105 VanDerWaalsContact O-OD1 3.06Å; D105-R107 PolarHBondContact O-N 2.99Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 PolarHBondContact OD1-N 3.09Å; D105-T108 PolarHBondContact O-N 2.89Å; D105-T108 PolarHBondContact OD2-OG1 2.94Å; D105-Q109 HydrophobicContact CB-CG 4.31Å; D105-Q109 VanDerWaalsContact N-OE1 3.07Å; D105-Q109 CarbonylContact O-C 3.56Å; D105-Q109 VanDerWaalsContact O-CA 3.32Å; D105-Q109 WeakPolarHBondContact O-CA 3.44Å; D105-Q109 VanDerWaalsContact O-CB 3.28Å; D105-Q109 WeakPolarHBondContact O-CB 3.16Å; D105-Q109 PolarHBondContact O-N 3.36Å
106	A	83.9	Confident	84.7	Confident	42 Å²	42	52.2 Å²	52.2	35%	0.347	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.9	-179.8	0	0	0	0	0	113.6	S71 I73 C104	S71-A106 PolarHBondContact O-N 2.93Å; I73-A106 HydrophobicContact CG2-CB 3.65Å; C104-A106 PolarHBondContact O-N 3.08Å
107	R	81.8	Confident	85.3	Confident	211 Å²	211	46.5 Å²	46.5	80%	0.796	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-33.4	-176.8	-64.8	-176.1	177.6	-129.9	0.8	112.8	D105	D105-R107 PolarHBondContact O-N 2.99Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 PolarHBondContact OD1-N 3.09Å
108	T	83.5	Confident	85.8	Confident	56 Å²	56	52.6 Å²	52.6	34%	0.344	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-4.4	-167.5	62.7	0	0	0	0	112.9	D105 Q118 S119	D105-T108 PolarHBondContact O-N 2.89Å; D105-T108 PolarHBondContact OD2-OG1 2.94Å; T108-Q118 CarbonylContact O-C 3.45Å; T108-Q118 VanDerWaalsContact O-CA 3.28Å; T108-Q118 WeakPolarHBondContact O-CA 3.38Å; T108-Q118 VanDerWaalsContact O-CG 3.29Å; T108-Q118 WeakPolarHBondContact O-CG 3.38Å; T108-S119 PolarHBondContact O-N 3.33Å
109	Q	87.7	Confident	85.3	Confident	64 Å²	64	52.1 Å²	52.1	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.5	-172.3	-58.9	172.1	-9.6	0	0	112.9	C104 D105 C116 C117	C104-Q109 HydrophobicContact CB-CB 4.08Å; D105-Q109 HydrophobicContact CB-CG 4.31Å; D105-Q109 VanDerWaalsContact N-OE1 3.07Å; D105-Q109 CarbonylContact O-C 3.56Å; D105-Q109 VanDerWaalsContact O-CA 3.32Å; D105-Q109 WeakPolarHBondContact O-CA 3.44Å; D105-Q109 VanDerWaalsContact O-CB 3.28Å; D105-Q109 WeakPolarHBondContact O-CB 3.16Å; D105-Q109 PolarHBondContact O-N 3.36Å; Q109-C116 HydrophobicContact CB-CB 4.23Å; Q109-C116 HydrophobicContact CG-CB 4.36Å; Q109-C117 CarbonylContact C-O 3.41Å; Q109-C117 WeakPolarHBondContact CA-O 3.28Å; Q109-C117 WeakPolarHBondContact CB-O 3.07Å
110	Y	86.9	Confident	84.3	Confident	115 Å²	115	54.8 Å²	54.8	45%	0.451	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.2	171.9	64.8	-89.2	0	0	0	110.9	C112 C117 Q118	Y110-C112 HydrophobicContact CD2-CB 4.39Å; Y110-C112 HydrophobicContact CE2-CB 4.13Å; Y110-C112 PolarHBondContact O-N 2.94Å; Y110-C117 HydrophobicContact CD1-CB 4.17Å; Y110-C117 VanDerWaalsContact CD1-O 3.32Å; Y110-C117 WeakPolarHBondContact CD1-O 3.35Å; Y110-C117 HydrophobicContact CD2-CB 4.13Å; Y110-C117 HydrophobicContact CE1-CB 3.63Å; Y110-C117 HydrophobicContact CE2-CB 3.57Å; Y110-C117 HydrophobicContact CG-CB 4.4Å; Y110-C117 PolarHBondContact N-O 2.81Å; Y110-C117 PolarHBondContact O-N 2.87Å; Y110-C117 WeakPolarHBondContact OH-CB 3.39Å; Y110-Q118 WeakPolarHBondContact CE1-O 3.37Å
111	C	88.6	Confident	82.8	Confident	57 Å²	57	58.3 Å²	58.3	39%	0.385	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.7	178.5	-55.8	0	0	0	0	111.3	C75	C75-C111 WeakPolarHBondContact CA-SG 3.42Å; C75-C111 HydrophobicContact CB-CB 3.67Å; C75-C111 WeakPolarHBondContact CB-SG 3.23Å; C75-C111 WeakPolarHBondContact SG-CA 3.39Å; C75-C111 WeakPolarHBondContact SG-CB 3.28Å; C75-C111 CovalentContact SG-SG 2.02Å; C75-C111 PolarHBondContact SG-SG 3.48Å
112	C	87.8	Confident	81.1	Confident	29 Å²	29	66.7 Å²	66.7	20%	0.196	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	84.9	-169.4	-164.3	0	0	0	0	108.4	Y110 M114 R115 C117	Y110-C112 HydrophobicContact CD2-CB 4.39Å; Y110-C112 HydrophobicContact CE2-CB 4.13Å; Y110-C112 PolarHBondContact O-N 2.94Å; C112-M114 PolarHBondContact O-N 2.78Å; C112-M114 VanDerWaalsContact O-N 3.08Å; C112-R115 CarbonylContact C-O 3.56Å; C112-R115 WeakPolarHBondContact CA-O 3Å; C112-R115 HydrophobicContact CB-CG 4.05Å; C112-R115 VanDerWaalsContact CB-O 3.3Å; C112-R115 WeakPolarHBondContact CB-O 3.43Å; C112-R115 PolarHBondContact N-O 2.88Å; C112-R115 WeakPolarHBondContact O-CG 3.39Å; C112-R115 PolarHBondContact O-N 3.32Å; C112-C117 HydrophobicContact CB-CB 3.4Å; C112-C117 VanDerWaalsContact CB-CB 3.4Å; C112-C117 WeakPolarHBondContact CB-SG 2.97Å; C112-C117 WeakPolarHBondContact SG-CB 3.44Å; C112-C117 CovalentContact SG-SG 2.05Å; C112-C117 PolarHBondContact SG-SG 3.4Å
113	E	85.4	Confident	79.1	Confident	55 Å²	55	73 Å²	73	26%	0.257	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-110.4	-166.8	-59.9	-178.4	178.7	0	0	112.2	V21 T27 Y77 F102	V21-E113 HydrophobicContact CG1-CG 4.05Å; V21-E113 WeakPolarHBondContact CG1-OE1 3.49Å; T27-E113 PolarHBondContact OG1-OE2 3.01Å; Y77-E113 HydrophobicContact CD2-CB 4.4Å; Y77-E113 HydrophobicContact CE2-CB 4.06Å; F102-E113 VanDerWaalsContact CZ-O 3.31Å; F102-E113 WeakPolarHBondContact CZ-O 3.41Å
114	M	81	Confident	77.1	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.01	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	18.1	178.5	-63.8	178.4	71.6	0	0	112.7	T27 I30 L31 L34 Y57 Y77 L100 C112	T27-M114 HydrophobicContact CG2-CG 4.2Å; T27-M114 HydrophobicContact CG2-SD 3.29Å; T27-M114 WeakPolarHBondContact CG2-SD 3.44Å; I30-M114 HydrophobicContact CB-CE 4.07Å; I30-M114 HydrophobicContact CB-SD 4.5Å; I30-M114 HydrophobicContact CD1-CB 3.81Å; I30-M114 HydrophobicContact CG2-CB 4.26Å; I30-M114 HydrophobicContact CG2-CE 3.53Å; I30-M114 HydrophobicContact CG2-SD 4.45Å; L31-M114 HydrophobicContact CD1-SD 4.49Å; L31-M114 HydrophobicContact CD2-CE 3.55Å; L31-M114 HydrophobicContact CD2-SD 4.03Å; L31-M114 HydrophobicContact CG-CE 3.81Å; L31-M114 HydrophobicContact CG-SD 3.93Å; L34-M114 HydrophobicContact CD1-CE 3.78Å; Y57-M114 WeakPolarHBondContact CE1-O 3.43Å; Y57-M114 PolarHBondContact OH-O 3.12Å; Y77-M114 HydrophobicContact CD1-CG 3.46Å; Y77-M114 VanDerWaalsContact CD1-CG 3.46Å; Y77-M114 HydrophobicContact CD1-SD 3.98Å; Y77-M114 HydrophobicContact CD2-CG 3.53Å; Y77-M114 HydrophobicContact CE1-CG 3.54Å; Y77-M114 HydrophobicContact CE1-SD 3.64Å; Y77-M114 HydrophobicContact CE2-CG 3.61Å; Y77-M114 HydrophobicContact CG-CG 3.43Å; Y77-M114 VanDerWaalsContact CG-CG 3.43Å; L100-M114 HydrophobicContact CD1-CE 3.88Å; C112-M114 PolarHBondContact O-N 2.78Å; C112-M114 VanDerWaalsContact O-N 3.08Å
115	R	88.1	Confident	75.4	Confident	101 Å²	101	82.8 Å²	82.8	38%	0.381	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	166.4	-179	65.7	177.5	-156	176	12.1	112.7	I30 C112 C117	I30-R115 HydrophobicContact CD1-CB 4.45Å; C112-R115 CarbonylContact C-O 3.56Å; C112-R115 WeakPolarHBondContact CA-O 3Å; C112-R115 HydrophobicContact CB-CG 4.05Å; C112-R115 VanDerWaalsContact CB-O 3.3Å; C112-R115 WeakPolarHBondContact CB-O 3.43Å; C112-R115 PolarHBondContact N-O 2.88Å; C112-R115 WeakPolarHBondContact O-CG 3.39Å; C112-R115 PolarHBondContact O-N 3.32Å; R115-C117 PolarHBondContact NE-SG 2.83Å; R115-C117 PolarHBondContact NH2-SG 3.27Å; R115-C117 VanDerWaalsContact NH2-SG 3.37Å
116	C	87.9	Confident	73.5	Confident	25 Å²	25	83 Å²	83	17%	0.169	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119	169.2	-53.8	0	0	0	0	109.9	I55 C104 Q109	I55-C116 HydrophobicContact CD1-CB 4.39Å; C104-C116 WeakPolarHBondContact CA-SG 3.19Å; C104-C116 HydrophobicContact CB-CB 3.66Å; C104-C116 WeakPolarHBondContact CB-SG 2.87Å; C104-C116 WeakPolarHBondContact SG-CA 3.32Å; C104-C116 WeakPolarHBondContact SG-CB 3.49Å; C104-C116 CovalentContact SG-SG 2.02Å; C104-C116 PolarHBondContact SG-SG 3.16Å; Q109-C116 HydrophobicContact CB-CB 4.23Å; Q109-C116 HydrophobicContact CG-CB 4.36Å
117	C	88.7	Confident	71.9	Confident	11 Å²	11	90.3 Å²	90.3	7%	0.074	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.5	175	-77.6	0	0	0	0	109.7	Q109 Y110 C112 R115	Q109-C117 CarbonylContact C-O 3.41Å; Q109-C117 WeakPolarHBondContact CA-O 3.28Å; Q109-C117 WeakPolarHBondContact CB-O 3.07Å; Y110-C117 HydrophobicContact CD1-CB 4.17Å; Y110-C117 VanDerWaalsContact CD1-O 3.32Å; Y110-C117 WeakPolarHBondContact CD1-O 3.35Å; Y110-C117 HydrophobicContact CD2-CB 4.13Å; Y110-C117 HydrophobicContact CE1-CB 3.63Å; Y110-C117 HydrophobicContact CE2-CB 3.57Å; Y110-C117 HydrophobicContact CG-CB 4.4Å; Y110-C117 PolarHBondContact N-O 2.81Å; Y110-C117 PolarHBondContact O-N 2.87Å; Y110-C117 WeakPolarHBondContact OH-CB 3.39Å; C112-C117 HydrophobicContact CB-CB 3.4Å; C112-C117 VanDerWaalsContact CB-CB 3.4Å; C112-C117 WeakPolarHBondContact CB-SG 2.97Å; C112-C117 WeakPolarHBondContact SG-CB 3.44Å; C112-C117 CovalentContact SG-SG 2.05Å; C112-C117 PolarHBondContact SG-SG 3.4Å; R115-C117 PolarHBondContact NE-SG 2.83Å; R115-C117 PolarHBondContact NH2-SG 3.27Å; R115-C117 VanDerWaalsContact NH2-SG 3.37Å
118	Q	87.2	Confident	70.3	Confident	133 Å²	133	87.8 Å²	87.8	62%	0.621	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.8	-176.2	-156.6	172.2	5.5	0	0	111.2	T108 Y110 S120	T108-Q118 CarbonylContact O-C 3.45Å; T108-Q118 VanDerWaalsContact O-CA 3.28Å; T108-Q118 WeakPolarHBondContact O-CA 3.38Å; T108-Q118 VanDerWaalsContact O-CG 3.29Å; T108-Q118 WeakPolarHBondContact O-CG 3.38Å; Y110-Q118 WeakPolarHBondContact CE1-O 3.37Å; Q118-S120 VanDerWaalsContact C-N 3.33Å; Q118-S120 WeakPolarHBondContact CG-OG 3.32Å
119	S	72.1	Confident	68.7	Low	73 Å²	73	94.8 Å²	94.8	51%	0.51	52%	0.515	S	S	.	.			trans	-91.2	9	178.3	-165.6	0	0	0	0	113.1	T108 A121	T108-S119 PolarHBondContact O-N 3.33Å; S119-A121 PolarHBondContact O-N 2.02Å
120	S	61.8	Low	66.9	Low	74 Å²	74	94.1 Å²	94.1	52%	0.517	53%	0.526	S	S	.	.			trans	-55	131.3	169.9	41.1	0	0	0	0	108.4	Q118	Q118-S120 VanDerWaalsContact C-N 3.33Å; Q118-S120 WeakPolarHBondContact CG-OG 3.32Å
121	A	51.4	Low	65.5	Low	75 Å²	75	96.2 Å²	96.2	62%	0.62	55%	0.545	S	S	*	.			trans	-34.7	157.7	-176.9	0	0	0	0	0	114.4	S119 D123	S119-A121 PolarHBondContact O-N 2.02Å; A121-D123 PolarHBondContact O-N 3.2Å
122	M	51.4	Low	64.1	Low	178 Å²	178	98.2 Å²	98.2	88%	0.877	56%	0.557	S	S	*	*	S	Bend	trans	-46.6	80.8	163.6	-58	-178.8	178.7	0	0	111.4
123	D	45.1	Very low	63.2	Low	132 Å²	132	101 Å²	101	71%	0.706	58%	0.577	S	S	*	*			trans	-154.7	85.7	175	-86.5	-43.1	0	0	0	107.9	A121 V125	A121-D123 PolarHBondContact O-N 3.2Å; D123-V125 PolarHBondContact O-N 3.01Å
124	S	45	Very low	62.7	Low	112 Å²	112	107.2 Å²	107.2	78%	0.783	60%	0.598	S	S	*	*	S	Bend		44.4	71.4	119	-44.8	0	0	0	0	116.1
125	V	53.1	Low	62.5	Low	142 Å²	142	111.2 Å²	111.2	86%	0.861	62%	0.619	S	S	*	*			trans	-179.7	65.6	140.2	174.5	0	0	0	0	106.5	D123	D123-V125 PolarHBondContact O-N 3.01Å
126	G	45	Very low	62.1	Low	57 Å²	57	108.6 Å²	108.6	59%	0.588	62%	0.623	S	S	*	*			trans	-108.1	100	161.6	0	0	0	0	0	107.2	H128	G126-H128 PolarHBondContact O-N 3.4Å
127	K	49.8	Very low	62	Low	195 Å²	195	111.1 Å²	111.1	85%	0.848	64%	0.638	S	S	*	*			trans	-62.8	74.8	162.1	-80.4	178.2	177.2	172.1	0	108.1	H129	K127-H129 PolarHBondContact O-N 2.99Å
128	H	49.5	Very low	62	Low	158 Å²	158	113.7 Å²	113.7	73%	0.731	65%	0.653	S	S	*	*			trans	-72.6	119.2	161.1	-80.4	-85.8	0	0	0	106.3	G126 G130	G126-H128 PolarHBondContact O-N 3.4Å; H128-G130 PolarHBondContact O-N 2.77Å
129	H	48.7	Very low	62.2	Low	202 Å²	202	113.9 Å²	113.9	94%	0.935	65%	0.652	S	S	*	*			trans	-67.3	51.5	160.9	-72.8	-87.7	0	0	0	110.6	K127	K127-H129 PolarHBondContact O-N 2.99Å
130	G	51	Low	63.1	Low	51 Å²	51	112 Å²	112	53%	0.526	65%	0.645	S	S	.	*	S	Bend	trans	-102.4	138.6	167.5	0	0	0	0	0	107.8	H128	H128-G130 PolarHBondContact O-N 2.77Å
131	N	57.4	Low	64.7	Low	159 Å²	159	113.8 Å²	113.8	85%	0.85	65%	0.648	S	S	*	*			trans	-36.3	128.5	-179	-82.7	-18.8	0	0	0	111.7	S133	N131-S133 PolarHBondContact O-N 3.36Å
132	P	59.5	Low	66.8	Low	99 Å²	99	114.3 Å²	114.3	64%	0.643	64%	0.639	S	S	*	*			trans	-56	120.6	178.4	24.1	-32.2	0	0	0	107.6	W134 V137	P132-W134 VanDerWaalsContact C-N 3.32Å; P132-W134 PolarHBondContact O-N 2.99Å; P132-V137 HydrophobicContact CB-CG2 3.83Å
133	S	68.3	Low	68.9	Low	88 Å²	88	109.9 Å²	109.9	62%	0.615	62%	0.622	S	S	*	*			trans	-57.9	106.9	162.4	20.4	0	0	0	0	105.2	N131 L135 G136	N131-S133 PolarHBondContact O-N 3.36Å; S133-L135 PolarHBondContact O-N 3.37Å; S133-G136 PolarHBondContact O-N 2.81Å
134	W	74.7	Confident	71.3	Confident	185 Å²	185	107.5 Å²	107.5	70%	0.701	61%	0.612	S	S	*	*	H	α-helix	trans	-47.3	-32.8	-174.9	64	-78.6	0	0	0	112.4	P132 G136 V137 V138	P132-W134 VanDerWaalsContact C-N 3.32Å; P132-W134 PolarHBondContact O-N 2.99Å; W134-G136 PolarHBondContact O-N 2.89Å; W134-V137 PolarHBondContact O-N 3.21Å; W134-V138 HydrophobicContact CE3-CG2 4.36Å; W134-V138 VanDerWaalsContact O-CG2 3.31Å; W134-V138 WeakPolarHBondContact O-CG2 3.29Å; W134-V138 PolarHBondContact O-N 3.22Å
135	L	77.5	Confident	73.8	Confident	86 Å²	86	106.3 Å²	106.3	45%	0.45	60%	0.6	S	S	.	*	H	α-helix	trans	-56.6	-45.2	172.9	-67.5	172.2	0	0	0	113.1	S133 V137 V138 F139	S133-L135 PolarHBondContact O-N 3.37Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.67Å; L135-V138 PolarHBondContact O-N 3.34Å; L135-F139 WeakPolarHBondContact O-CB 3.34Å; L135-F139 WeakPolarHBondContact O-CD2 3.31Å; L135-F139 PolarHBondContact O-N 2.71Å
136	G	79.6	Confident	75.9	Confident	45 Å²	45	105 Å²	105	46%	0.464	59%	0.588	S	S	.	*	H	α-helix	trans	-64.9	-35.8	-179.9	0	0	0	0	0	112.9	S133 W134 G140	S133-G136 PolarHBondContact O-N 2.81Å; W134-G136 PolarHBondContact O-N 2.89Å; G136-G140 PolarHBondContact O-N 3.46Å
137	V	84.5	Confident	78.3	Confident	78 Å²	78	108.3 Å²	108.3	47%	0.473	59%	0.589	S	S	.	*	H	α-helix	trans	-68.7	-42.8	175	-179	0	0	0	0	110.6	P132 W134 L135 G140 L141	P132-V137 HydrophobicContact CB-CG2 3.83Å; W134-V137 PolarHBondContact O-N 3.21Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.67Å; V137-G140 PolarHBondContact O-N 2.64Å; V137-L141 HydrophobicContact CG1-CD1 4.48Å; V137-L141 PolarHBondContact O-N 3.26Å
138	V	89.9	Confident	80.5	Confident	66 Å²	66	103.6 Å²	103.6	40%	0.4	58%	0.576	S	S	.	*	H	α-helix	trans	-63.3	-46.8	176.3	173.5	0	0	0	0	110.8	W134 L135 G140 L141 I142	W134-V138 HydrophobicContact CE3-CG2 4.36Å; W134-V138 VanDerWaalsContact O-CG2 3.31Å; W134-V138 WeakPolarHBondContact O-CG2 3.29Å; W134-V138 PolarHBondContact O-N 3.22Å; L135-V138 PolarHBondContact O-N 3.34Å; V138-G140 PolarHBondContact O-N 2.88Å; V138-L141 PolarHBondContact O-N 3.01Å; V138-I142 HydrophobicContact CG1-CD1 3.78Å; V138-I142 HydrophobicContact CG1-CG1 4.49Å; V138-I142 VanDerWaalsContact O-CG1 3.25Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 PolarHBondContact O-N 2.8Å
139	F	91.9	Very high	82.8	Confident	137 Å²	137	99.3 Å²	99.3	60%	0.601	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-42.3	175.2	-86.2	-73.4	0	0	0	111.9	L135 L141 I142 V143	L135-F139 WeakPolarHBondContact O-CB 3.34Å; L135-F139 WeakPolarHBondContact O-CD2 3.31Å; L135-F139 PolarHBondContact O-N 2.71Å; F139-L141 PolarHBondContact O-N 3.45Å; F139-I142 PolarHBondContact O-N 3.25Å; F139-V143 VanDerWaalsContact O-CG2 3.32Å; F139-V143 WeakPolarHBondContact O-CG2 3.48Å; F139-V143 PolarHBondContact O-N 2.72Å
140	G	91.2	Very high	85.1	Confident	34 Å²	34	92.8 Å²	92.8	35%	0.351	54%	0.538	S	S	.	.	H	α-helix	trans	-61.8	-42.2	175.9	0	0	0	0	0	112.8	G136 V137 V138 T144	G136-G140 PolarHBondContact O-N 3.46Å; V137-G140 PolarHBondContact O-N 2.64Å; V138-G140 PolarHBondContact O-N 2.88Å; G140-T144 WeakPolarHBondContact O-CB 3.29Å; G140-T144 PolarHBondContact O-N 3.03Å; G140-T144 PolarHBondContact O-OG1 3.31Å
141	L	94.5	Very high	87.2	Confident	110 Å²	110	94.4 Å²	94.4	58%	0.576	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-43.1	175.2	-82.8	173.6	0	0	0	111.9	V137 V138 F139 T144 V145	V137-L141 HydrophobicContact CG1-CD1 4.48Å; V137-L141 PolarHBondContact O-N 3.26Å; V138-L141 PolarHBondContact O-N 3.01Å; F139-L141 PolarHBondContact O-N 3.45Å; L141-T144 PolarHBondContact O-N 2.78Å; L141-V145 WeakPolarHBondContact O-CB 3.32Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.25Å; L141-V145 PolarHBondContact O-N 2.83Å
142	I	95.3	Very high	89	Confident	87 Å²	87	89.6 Å²	89.6	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-47.5	177.6	-68.6	165.4	0	0	0	110.7	V138 F139 T144 V145 L146	V138-I142 HydrophobicContact CG1-CD1 3.78Å; V138-I142 HydrophobicContact CG1-CG1 4.49Å; V138-I142 VanDerWaalsContact O-CG1 3.25Å; V138-I142 WeakPolarHBondContact O-CG1 3.19Å; V138-I142 PolarHBondContact O-N 2.8Å; F139-I142 PolarHBondContact O-N 3.25Å; I142-T144 VanDerWaalsContact C-N 3.32Å; I142-T144 PolarHBondContact O-N 3.25Å; I142-V145 PolarHBondContact O-N 3.41Å; I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CB 3.4Å; I142-L146 WeakPolarHBondContact O-CG 3.44Å; I142-L146 PolarHBondContact O-N 2.95Å
143	V	95.6	Very high	90.7	Very high	84 Å²	84	90 Å²	90	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-63.1	-40.2	177.8	172.8	0	0	0	0	111.2	F139 L146 M147	F139-V143 VanDerWaalsContact O-CG2 3.32Å; F139-V143 WeakPolarHBondContact O-CG2 3.48Å; F139-V143 PolarHBondContact O-N 2.72Å; V143-L146 PolarHBondContact O-N 3.33Å; V143-M147 WeakPolarHBondContact O-CB 3.48Å; V143-M147 PolarHBondContact O-N 2.94Å
144	T	95.6	Very high	91.9	Very high	83 Å²	83	90.3 Å²	90.3	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-46	177.7	-54.8	0	0	0	0	111.5	G140 L141 I142 M147 V148	G140-T144 WeakPolarHBondContact O-CB 3.29Å; G140-T144 PolarHBondContact O-N 3.03Å; G140-T144 PolarHBondContact O-OG1 3.31Å; L141-T144 PolarHBondContact O-N 2.78Å; I142-T144 VanDerWaalsContact C-N 3.32Å; I142-T144 PolarHBondContact O-N 3.25Å; T144-M147 PolarHBondContact O-N 3.3Å; T144-V148 WeakPolarHBondContact O-CG2 3.49Å; T144-V148 PolarHBondContact O-N 3.35Å
145	V	96.8	Very high	92.8	Very high	87 Å²	87	85.4 Å²	85.4	53%	0.527	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-46.2	176.3	170.9	0	0	0	0	110.4	L141 I142 M147 V148 T149	L141-V145 WeakPolarHBondContact O-CB 3.32Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 3.25Å; L141-V145 PolarHBondContact O-N 2.83Å; I142-V145 PolarHBondContact O-N 3.41Å; V145-M147 VanDerWaalsContact C-N 3.34Å; V145-M147 PolarHBondContact O-N 3.46Å; V145-V148 PolarHBondContact O-N 2.88Å; V145-T149 WeakPolarHBondContact O-CB 3.47Å; V145-T149 PolarHBondContact O-N 2.95Å; V145-T149 PolarHBondContact O-OG1 2.87Å
146	L	96.7	Very high	93.5	Very high	114 Å²	114	87.4 Å²	87.4	60%	0.597	50%	0.502	S	S	*	.	H	α-helix	trans	-59.4	-42	176.6	-78.5	173.5	0	0	0	112.5	I142 V143 C150	I142-L146 HydrophobicContact CG2-CD1 4.08Å; I142-L146 WeakPolarHBondContact O-CB 3.4Å; I142-L146 WeakPolarHBondContact O-CG 3.44Å; I142-L146 PolarHBondContact O-N 2.95Å; V143-L146 PolarHBondContact O-N 3.33Å; L146-C150 VanDerWaalsContact O-CB 3.22Å; L146-C150 WeakPolarHBondContact O-CB 3.36Å; L146-C150 PolarHBondContact O-N 3.49Å
147	M	96.4	Very high	94	Very high	127 Å²	127	91.7 Å²	91.7	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-63.9	-46.4	175.9	-87.7	-68.3	173.8	0	0	112.1	V143 T144 V145 T149 C150 V151	V143-M147 WeakPolarHBondContact O-CB 3.48Å; V143-M147 PolarHBondContact O-N 2.94Å; T144-M147 PolarHBondContact O-N 3.3Å; V145-M147 VanDerWaalsContact C-N 3.34Å; V145-M147 PolarHBondContact O-N 3.46Å; M147-T149 PolarHBondContact O-N 2.9Å; M147-C150 WeakPolarHBondContact O-CB 3.5Å; M147-C150 PolarHBondContact O-N 3.28Å; M147-V151 WeakPolarHBondContact O-CG2 3.22Å; M147-V151 PolarHBondContact O-N 3.42Å
148	V	96.9	Very high	94.2	Very high	95 Å²	95	94.6 Å²	94.6	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-62.4	-43.9	177.6	173.2	0	0	0	0	111	T144 V145 V151 A152	T144-V148 WeakPolarHBondContact O-CG2 3.49Å; T144-V148 PolarHBondContact O-N 3.35Å; V145-V148 PolarHBondContact O-N 2.88Å; V148-V151 PolarHBondContact O-N 2.92Å; V148-A152 WeakPolarHBondContact O-CB 3.35Å; V148-A152 PolarHBondContact O-N 2.92Å
149	T	96.5	Very high	94.1	Very high	69 Å²	69	94 Å²	94	42%	0.423	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-41.7	175.2	-53	0	0	0	0	111.5	V145 M147 A152 L153	V145-T149 WeakPolarHBondContact O-CB 3.47Å; V145-T149 PolarHBondContact O-N 2.95Å; V145-T149 PolarHBondContact O-OG1 2.87Å; M147-T149 PolarHBondContact O-N 2.9Å; T149-A152 PolarHBondContact O-N 3.38Å; T149-L153 HydrophobicContact CG2-CD1 4.22Å; T149-L153 HydrophobicContact CG2-CG 4.41Å; T149-L153 WeakPolarHBondContact O-CB 3.28Å; T149-L153 VanDerWaalsContact O-CG 3.29Å; T149-L153 WeakPolarHBondContact O-CG 3.31Å; T149-L153 PolarHBondContact O-N 3.45Å
150	C	96.6	Very high	93.7	Very high	64 Å²	64	94 Å²	94	43%	0.432	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-46.3	177.4	-167.7	0	0	0	0	111.5	L146 M147 L153 I154	L146-C150 VanDerWaalsContact O-CB 3.22Å; L146-C150 WeakPolarHBondContact O-CB 3.36Å; L146-C150 PolarHBondContact O-N 3.49Å; M147-C150 WeakPolarHBondContact O-CB 3.5Å; M147-C150 PolarHBondContact O-N 3.28Å; C150-L153 PolarHBondContact O-N 2.69Å; C150-I154 VanDerWaalsContact O-CG1 3.28Å; C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 2.94Å
151	V	96.4	Very high	93.2	Very high	86 Å²	86	100.2 Å²	100.2	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-45.3	175.3	174.6	0	0	0	0	111	M147 V148 L153 I154 V155	M147-V151 WeakPolarHBondContact O-CG2 3.22Å; M147-V151 PolarHBondContact O-N 3.42Å; V148-V151 PolarHBondContact O-N 2.92Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 2.86Å; V151-I154 PolarHBondContact O-N 2.86Å; V151-V155 HydrophobicContact CG1-CG2 4.41Å; V151-V155 WeakPolarHBondContact O-CG2 3.36Å; V151-V155 PolarHBondContact O-N 3.39Å
152	A	95.1	Very high	92.2	Very high	57 Å²	57	99.7 Å²	99.7	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-60.6	-39.5	177.3	0	0	0	0	0	112.4	V148 T149 Y156	V148-A152 WeakPolarHBondContact O-CB 3.35Å; V148-A152 PolarHBondContact O-N 2.92Å; T149-A152 PolarHBondContact O-N 3.38Å; A152-Y156 VanDerWaalsContact O-CB 3.22Å; A152-Y156 WeakPolarHBondContact O-CB 3.4Å; A152-Y156 PolarHBondContact O-N 3.29Å
153	L	94.7	Very high	90.8	Very high	109 Å²	109	100.6 Å²	100.6	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-68.4	-38.3	175.9	-71.4	175.1	0	0	0	112.5	T149 C150 V151 Y156 K157	T149-L153 HydrophobicContact CG2-CD1 4.22Å; T149-L153 HydrophobicContact CG2-CG 4.41Å; T149-L153 WeakPolarHBondContact O-CB 3.28Å; T149-L153 VanDerWaalsContact O-CG 3.29Å; T149-L153 WeakPolarHBondContact O-CG 3.31Å; T149-L153 PolarHBondContact O-N 3.45Å; C150-L153 PolarHBondContact O-N 2.69Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 2.86Å; L153-Y156 PolarHBondContact O-N 3.26Å; L153-K157 VanDerWaalsContact O-CB 3.31Å; L153-K157 WeakPolarHBondContact O-CB 3.29Å; L153-K157 PolarHBondContact O-N 2.95Å
154	I	94.3	Very high	89.3	Confident	93 Å²	93	102.6 Å²	102.6	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-48.4	174.8	-68.6	164.8	0	0	0	109.9	C150 V151 K157 F158	C150-I154 VanDerWaalsContact O-CG1 3.28Å; C150-I154 WeakPolarHBondContact O-CG1 3.49Å; C150-I154 PolarHBondContact O-N 2.94Å; V151-I154 PolarHBondContact O-N 2.86Å; I154-K157 PolarHBondContact O-N 2.97Å; I154-F158 HydrophobicContact CG2-CD2 4.19Å; I154-F158 WeakPolarHBondContact O-CB 3.43Å; I154-F158 PolarHBondContact O-N 2.89Å
155	V	93.6	Very high	87.7	Confident	82 Å²	82	103.7 Å²	103.7	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-47.2	176	174.1	0	0	0	0	110.2	V151 K157 F158 S159	V151-V155 HydrophobicContact CG1-CG2 4.41Å; V151-V155 WeakPolarHBondContact O-CG2 3.36Å; V151-V155 PolarHBondContact O-N 3.39Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.3Å; V155-F158 PolarHBondContact O-N 3.3Å; V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 2.94Å; V155-S159 PolarHBondContact O-OG 2.94Å
156	Y	91.9	Very high	86	Confident	128 Å²	128	104.5 Å²	104.5	50%	0.502	55%	0.547	S	S	.	.	H	α-helix	trans	-57.9	-43.2	178	-176.9	-102.2	0	0	0	112.7	A152 L153 R160	A152-Y156 VanDerWaalsContact O-CB 3.22Å; A152-Y156 WeakPolarHBondContact O-CB 3.4Å; A152-Y156 PolarHBondContact O-N 3.29Å; L153-Y156 PolarHBondContact O-N 3.26Å; Y156-R160 HydrophobicContact CE1-CG 4.19Å; Y156-R160 VanDerWaalsContact CZ-NE 3.31Å; Y156-R160 WeakPolarHBondContact O-CB 3.22Å; Y156-R160 PolarHBondContact O-N 3.41Å; Y156-R160 VanDerWaalsContact OH-CZ 3.29Å; Y156-R160 PolarHBondContact OH-NE 2.82Å; Y156-R160 PolarHBondContact OH-NH2 2.91Å
157	K	90	Very high	83.7	Confident	135 Å²	135	104 Å²	104	59%	0.587	55%	0.552	S	S	*	*	H	α-helix	trans	-70.3	-37	178.8	-163.9	177.1	-178.2	175.9	0	111.9	L153 I154 V155 R161	L153-K157 VanDerWaalsContact O-CB 3.31Å; L153-K157 WeakPolarHBondContact O-CB 3.29Å; L153-K157 PolarHBondContact O-N 2.95Å; I154-K157 PolarHBondContact O-N 2.97Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.3Å; K157-R161 WeakPolarHBondContact O-CG 3.36Å; K157-R161 PolarHBondContact O-N 3.24Å; K157-R161 VanDerWaalsContact O-N 3.16Å
158	F	88.2	Confident	81.6	Confident	140 Å²	140	102.1 Å²	102.1	61%	0.614	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-47	172.4	-107	-82.5	0	0	0	111.6	I154 V155 R160 R161 I162	I154-F158 HydrophobicContact CG2-CD2 4.19Å; I154-F158 WeakPolarHBondContact O-CB 3.43Å; I154-F158 PolarHBondContact O-N 2.89Å; V155-F158 PolarHBondContact O-N 3.3Å; F158-R160 PolarHBondContact O-N 2.91Å; F158-R161 PolarHBondContact O-N 3.47Å; F158-I162 WeakPolarHBondContact O-CG1 3.36Å; F158-I162 PolarHBondContact O-N 3.2Å
159	S	87.2	Confident	79.5	Confident	52 Å²	52	103.6 Å²	103.6	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-60.8	-43	176.9	-62.6	0	0	0	0	111.6	V155 R161 I162 L163	V155-S159 WeakPolarHBondContact O-CB 3.48Å; V155-S159 PolarHBondContact O-N 2.94Å; V155-S159 PolarHBondContact O-OG 2.94Å; S159-R161 PolarHBondContact O-N 2.91Å; S159-I162 PolarHBondContact O-N 3.48Å; S159-L163 WeakPolarHBondContact O-CB 3.47Å; S159-L163 WeakPolarHBondContact O-CD1 3.35Å; S159-L163 WeakPolarHBondContact O-CG 3.35Å; S159-L163 PolarHBondContact O-N 2.92Å
160	R	84.6	Confident	77.3	Confident	138 Å²	138	109.5 Å²	109.5	52%	0.521	58%	0.584	S	S	.	*	H	α-helix	trans	-59.2	-46.1	173.9	-86.8	-157.4	178.9	-152	4	112.2	Y156 F158 I162 L163 D164	Y156-R160 HydrophobicContact CE1-CG 4.19Å; Y156-R160 VanDerWaalsContact CZ-NE 3.31Å; Y156-R160 WeakPolarHBondContact O-CB 3.22Å; Y156-R160 PolarHBondContact O-N 3.41Å; Y156-R160 VanDerWaalsContact OH-CZ 3.29Å; Y156-R160 PolarHBondContact OH-NE 2.82Å; Y156-R160 PolarHBondContact OH-NH2 2.91Å; F158-R160 PolarHBondContact O-N 2.91Å; R160-I162 PolarHBondContact O-N 3.45Å; R160-L163 PolarHBondContact O-N 3.22Å; R160-L163 VanDerWaalsContact O-N 3.17Å; R160-D164 VanDerWaalsContact O-CG 3.23Å; R160-D164 PolarHBondContact O-N 3.39Å; R160-D164 VanDerWaalsContact O-OD2 3.12Å
161	R	80.3	Confident	75.1	Confident	164 Å²	164	115.7 Å²	115.7	62%	0.619	61%	0.606	S	S	*	*	H	α-helix	trans	-60.2	-34.8	176.2	-74.4	-174.7	177.6	-157.3	-1.5	112.9	K157 F158 S159 C165	K157-R161 WeakPolarHBondContact O-CG 3.36Å; K157-R161 PolarHBondContact O-N 3.24Å; K157-R161 VanDerWaalsContact O-N 3.16Å; F158-R161 PolarHBondContact O-N 3.47Å; S159-R161 PolarHBondContact O-N 2.91Å; R161-C165 PolarHBondContact O-N 2.77Å; R161-C165 PolarHBondContact O-SG 2.96Å
162	I	73.8	Confident	72.8	Confident	100 Å²	100	123.6 Å²	123.6	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-73.3	-41.8	176.3	-64.9	166.1	0	0	0	110.6	F158 S159 R160 D164 C165 V166	F158-I162 WeakPolarHBondContact O-CG1 3.36Å; F158-I162 PolarHBondContact O-N 3.2Å; S159-I162 PolarHBondContact O-N 3.48Å; R160-I162 PolarHBondContact O-N 3.45Å; I162-D164 VanDerWaalsContact C-N 3.34Å; I162-D164 PolarHBondContact O-N 3.02Å; I162-C165 PolarHBondContact O-N 2.82Å; I162-C165 VanDerWaalsContact O-N 3.16Å; I162-V166 HydrophobicContact CG2-CG2 4.1Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 VanDerWaalsContact O-CG2 3.23Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.16Å
163	L	66	Low	70.5	Confident	105 Å²	105	130.4 Å²	130.4	55%	0.55	65%	0.649	S	S	.	*	H	α-helix	trans	-63.6	-38.5	176.7	-75.2	152.2	0	0	0	112	S159 R160 C165 V166 C167	S159-L163 WeakPolarHBondContact O-CB 3.47Å; S159-L163 WeakPolarHBondContact O-CD1 3.35Å; S159-L163 WeakPolarHBondContact O-CG 3.35Å; S159-L163 PolarHBondContact O-N 2.92Å; R160-L163 PolarHBondContact O-N 3.22Å; R160-L163 VanDerWaalsContact O-N 3.17Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 PolarHBondContact O-N 3.34Å; L163-V166 PolarHBondContact O-N 3.34Å; L163-C167 PolarHBondContact O-N 2.88Å; L163-C167 VanDerWaalsContact O-N 3.09Å
164	D	64.6	Low	68.3	Low	126 Å²	126	131 Å²	131	67%	0.674	66%	0.662	S	S	*	*	H	α-helix	trans	-66.1	-27.7	175.1	-66.3	-35.3	0	0	0	112.3	R160 I162	R160-D164 VanDerWaalsContact O-CG 3.23Å; R160-D164 PolarHBondContact O-N 3.39Å; R160-D164 VanDerWaalsContact O-OD2 3.12Å; I162-D164 VanDerWaalsContact C-N 3.34Å; I162-D164 PolarHBondContact O-N 3.02Å
165	C	61.8	Low	66.2	Low	107 Å²	107	131.4 Å²	131.4	72%	0.723	67%	0.673	S	S	*	*	H	α-helix	trans	-87.6	-22.6	174.6	-70.6	0	0	0	0	113.9	R161 I162 L163	R161-C165 PolarHBondContact O-N 2.77Å; R161-C165 PolarHBondContact O-SG 2.96Å; I162-C165 PolarHBondContact O-N 2.82Å; I162-C165 VanDerWaalsContact O-N 3.16Å; L163-C165 VanDerWaalsContact C-N 3.26Å; L163-C165 PolarHBondContact O-N 3.34Å
166	V	61.3	Low	64.2	Low	104 Å²	104	135.3 Å²	135.3	63%	0.63	69%	0.691	S	S	*	*	H	α-helix	trans	-96.9	-2.6	-177.5	177.9	0	0	0	0	112.5	I162 L163 P168	I162-V166 HydrophobicContact CG2-CG2 4.1Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 VanDerWaalsContact O-CG2 3.23Å; I162-V166 WeakPolarHBondContact O-CG2 3.47Å; I162-V166 PolarHBondContact O-N 3.16Å; L163-V166 PolarHBondContact O-N 3.34Å; V166-P168 WeakPolarHBondContact O-CD 3.41Å
167	C	48.4	Very low	62.1	Low	103 Å²	103	132.7 Å²	132.7	70%	0.696	70%	0.703	S	S	*	*			trans	-100.3	67	166.9	-69.8	0	0	0	0	113.8	L163	L163-C167 PolarHBondContact O-N 2.88Å; L163-C167 VanDerWaalsContact O-N 3.09Å
168	P	52.3	Low	59.6	Low	87 Å²	87	132.7 Å²	132.7	57%	0.565	71%	0.709	S	S	*	*			trans	-86.9	149.4	147.1	38	-27.8	0	0	0	108.1	V166	V166-P168 WeakPolarHBondContact O-CD 3.41Å
169	T	52.1	Low	58	Low	127 Å²	127	136.3 Å²	136.3	78%	0.779	73%	0.725	S	S	*	*	S	Bend	trans	88.7	28.4	155.5	73	0	0	0	0	123.2
170	M	51.1	Low	56.1	Low	193 Å²	193	142.1 Å²	142.1	95%	0.951	75%	0.746	S	S	*	*	S	Bend	trans	-129.1	3	164.2	-78	-68	-177.2	0	0	117.3
171	Q	50.3	Low	54.4	Low	194 Å²	194	140.3 Å²	140.3	91%	0.907	75%	0.753	S	S	*	*	S	Bend	trans	-117.2	14.7	-178.6	-139.8	-177.6	-28.5	0	0	115.4
172	R	46.7	Very low	53.1	Low	252 Å²	252	139.4 Å²	139.4	95%	0.951	77%	0.765	S	S	*	*			trans	-106.3	35.6	-175.7	-141.1	-166.3	-172.4	-166.9	3	115.6
173	Q	47.8	Very low	52	Low	199 Å²	199	141.6 Å²	141.6	93%	0.93	78%	0.778	S	S	*	*	S	Bend	trans	-129.1	22.7	170.9	-146.7	172.6	-0.7	0	0	114.1
174	S	48.5	Very low	51.3	Low	122 Å²	122	141 Å²	141	85%	0.853	79%	0.788	S	S	*	*			trans	-117.3	69.1	170.9	-163.4	0	0	0	0	109.9
175	S	50.9	Low	50.4	Low	101 Å²	101	141.7 Å²	141.7	71%	0.706	79%	0.791	S	S	*	*	S	Bend	trans	-171.8	71.9	163.9	-178.1	0	0	0	0	109.1
176	N	49.6	Very low	49.7	Very low	165 Å²	165	144.8 Å²	144.8	88%	0.882	80%	0.795	S	S	*	*	S	Bend	trans	167.1	120.2	141.8	-88.2	-30.2	0	0	0	110.5
177	G	48.9	Very low	48.8	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	80%	0.796	S	S	*	*			trans	93.4	78.5	148.1	0	0	0	0	0	117.9
178	N	38.4	Very low	48.3	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	81%	0.805	S	S	*	*				65.6	84	119.5	-160.3	15.5	0	0	0	118.4
179	F	54	Low	47.7	Very low	215 Å²	215	150 Å²	150	94%	0.943	80%	0.804	S	S	*	*			trans	-154.4	116.2	141.1	-84.5	-76.5	0	0	0	109.4
180	Q	47.5	Very low	47	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.813	81%	0.809	S	S	*	*			trans	-88.9	-169.9	173.9	-61.4	177.4	-83.8	0	0	110.7
181	P	47.8	Very low	46.3	Very low	100 Å²	100	148 Å²	148	65%	0.649	79%	0.794	S	S	*	*				-130.4	167.2	-73.9	38.5	-22.7	0	0	0	111.4
182	V	53.9	Low	45.8	Very low	146 Å²	146	144.6 Å²	144.6	89%	0.885	79%	0.787	S	S	*	*			trans	-156.8	127.4	136	-166.9	0	0	0	0	110.2
183	D	50	Low	45.3	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	77%	0.774	S	S	*	*			trans	-59.2	152.3	175.5	-71.5	-78.4	0	0	0	117
184	A	50.6	Low	45.1	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	77%	0.771	S	S	*	*				-162.1	105.2	128.6	0	0	0	0	0	110.3
185	N	47.1	Very low	45.7	Very low	141 Å²	141	136 Å²	136	75%	0.754	76%	0.763	S	S	*	*			trans	33.6	128.6	135.3	-73.5	-30.6	0	0	0	117.6
186	E	47.1	Very low	46	Very low	172 Å²	172	137.2 Å²	137.2	80%	0.804	77%	0.769	S	S	*	*			cis	176.5	-179.8	41.7	-123.1	-169.2	95.2	0	0	108.6
187	P	41	Very low	46.3	Very low	99 Å²	99	137.7 Å²	137.7	64%	0.643	77%	0.766	S	S	*	*				-120.4	159.1	-129.4	36.7	-17.7	0	0	0	115.2
188	Y	39.4	Very low	46.8	Very low	224 Å²	224	139.7 Å²	139.7	88%	0.878	77%	0.766	S	S	*	*				-169.5	131.3	129	-129.2	-110.7	0	0	0	112.5
189	S	38.3	Very low	47	Very low	80 Å²	80	136.9 Å²	136.9	56%	0.559	77%	0.769	S	S	*	*			trans	-15.5	133.9	163	41.2	0	0	0	0	118.7
190	Q	37.8	Very low	46.9	Very low	188 Å²	188	136.7 Å²	136.7	88%	0.879	76%	0.764	S	S	*	*				57.8	124.7	86.5	-94.5	-159.1	48.6	0	0	111.9
191	S	35.8	Very low	47.7	Very low	92 Å²	92	134 Å²	134	64%	0.643	76%	0.761	S	S	*	*				171.4	164.3	54.8	164.5	0	0	0	0	109.1
192	T	41.4	Very low	48.2	Very low	122 Å²	122	138.1 Å²	138.1	75%	0.748	77%	0.772	S	S	*	*			trans	90.6	107.9	153.6	-21.9	0	0	0	0	114.9
193	G	35.8	Very low	48.3	Very low	67 Å²	67	139.9 Å²	139.9	69%	0.691	77%	0.77	S	S	*	*			cis	98.2	85.6	31.5	0	0	0	0	0	109.7
194	Y	44.1	Very low	49.1	Very low	217 Å²	217	138.7 Å²	138.7	85%	0.851	77%	0.77	S	S	*	*			trans	-131.5	135.6	169.6	-96.5	-90	0	0	0	110.8
195	P	60.5	Low	49.3	Very low	107 Å²	107	137.9 Å²	137.9	70%	0.695	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-77.7	156.8	-175.2	32.5	-35.5	0	0	0	112.4	Q197	P195-Q197 PolarHBondContact O-N 3.22Å
196	P	57.3	Low	49.7	Very low	127 Å²	127	142 Å²	142	83%	0.825	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.2	126.2	175.4	28.3	-31.8	0	0	0	111.1
197	Q	56.7	Low	51	Low	175 Å²	175	138.9 Å²	138.9	82%	0.818	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-73.3	143	173.5	-99	-167.7	-6.5	0	0	111.8	P195	P195-Q197 PolarHBondContact O-N 3.22Å
198	P	58.9	Low	52.5	Low	115 Å²	115	140.2 Å²	140.2	75%	0.747	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.1	144.9	-179.3	-15.7	30.1	0	0	0	113.6
199	G	41.9	Very low	53.7	Low	77 Å²	77	138.4 Å²	138.4	79%	0.794	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.3	141.4	-178.1	0	0	0	0	0	114.5
200	Y	51.5	Low	55.3	Low	211 Å²	211	140.2 Å²	140.2	83%	0.827	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.5	138	171.8	-79	-94.9	0	0	0	111.1
201	P	64.9	Low	56.2	Low	118 Å²	118	134.9 Å²	134.9	77%	0.766	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-72	143.7	174.6	28.6	-32.4	0	0	0	111.8
202	Q	57.8	Low	57.4	Low	186 Å²	186	141.1 Å²	141.1	87%	0.869	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-63.3	129.5	173.3	-70	-86.8	25.2	0	0	110.4
203	Q	57.6	Low	58.9	Low	183 Å²	183	140.3 Å²	140.3	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-74.5	138	172.5	-93.9	-176.5	-24.8	0	0	111.2
204	P	66.6	Low	60.6	Low	120 Å²	120	143 Å²	143	78%	0.779	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.2	139.7	176.1	-18	31.1	0	0	0	112.8
205	G	53.4	Low	61.6	Low	74 Å²	74	141.5 Å²	141.5	76%	0.763	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.9	145.7	179.3	0	0	0	0	0	114
206	Y	56.9	Low	62.1	Low	229 Å²	229	142.1 Å²	142.1	90%	0.898	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.5	176.4	-83.3	-94.4	0	0	0	111.8
207	P	74.1	Confident	62.1	Low	106 Å²	106	139.7 Å²	139.7	69%	0.688	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-72.4	150.1	175	29.6	-33.8	0	0	0	111.9
208	P	71.5	Confident	62.3	Low	126 Å²	126	142.1 Å²	142.1	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.8	136.6	175.3	27	-32.6	0	0	0	111.4
209	Q	66.1	Low	63	Low	186 Å²	186	141.7 Å²	141.7	87%	0.869	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.7	175.3	-86.1	-172.6	-12.1	0	0	111.7
210	P	71.3	Confident	64.4	Low	118 Å²	118	144.1 Å²	144.1	77%	0.766	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.2	135.9	174.1	-18.3	31	0	0	0	112.6
211	G	56.5	Low	65	Low	76 Å²	76	142.9 Å²	142.9	78%	0.784	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.1	144.1	177.5	0	0	0	0	0	113.5
212	Y	59.9	Low	65.1	Low	224 Å²	224	142.9 Å²	142.9	88%	0.878	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.2	143.1	177	-84.8	-95.1	0	0	0	112
213	P	73.8	Confident	65	Low	104 Å²	104	137.7 Å²	137.7	68%	0.675	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71	150.5	176.2	29.2	-34.2	0	0	0	112.1
214	P	70.7	Confident	64.9	Low	124 Å²	124	139.8 Å²	139.8	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.9	133.5	176.7	26.7	-32.6	0	0	0	111.3
215	Q	65.3	Low	64.8	Low	186 Å²	186	139.1 Å²	139.1	87%	0.869	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.9	140.3	174.1	-85.5	-170.2	-9.2	0	0	111.5
216	P	70.5	Confident	65.3	Low	119 Å²	119	141.7 Å²	141.7	77%	0.773	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.9	136.5	175.7	-18.6	31	0	0	0	112.9
217	G	58.5	Low	65.4	Low	77 Å²	77	140.2 Å²	140.2	79%	0.794	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.2	143.3	178.2	0	0	0	0	0	113.5
218	Y	60.9	Low	64.6	Low	225 Å²	225	139.2 Å²	139.2	88%	0.882	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.9	144.2	175.7	-84.6	-94.6	0	0	0	112
219	P	73.4	Confident	63.6	Low	106 Å²	106	139.4 Å²	139.4	69%	0.688	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.3	149.5	177.8	29.3	-34.4	0	0	0	112.5
220	P	70.7	Confident	62.8	Low	128 Å²	128	141.7 Å²	141.7	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.7	136.3	177.6	27.2	-32.8	0	0	0	111.8
221	Q	64.3	Low	61.5	Low	186 Å²	186	139.4 Å²	139.4	87%	0.869	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-74.5	145.5	174.1	-88	-171.2	-9.2	0	0	112.1
222	P	67.4	Low	60.9	Low	117 Å²	117	146.8 Å²	146.8	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68	136.1	179.5	-17.4	31.1	0	0	0	113.5
223	G	55.9	Low	60.5	Low	77 Å²	77	141.8 Å²	141.8	79%	0.794	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.8	142.3	177.9	0	0	0	0	0	113.6
224	Y	55	Low	59.1	Low	228 Å²	228	142.9 Å²	142.9	89%	0.894	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.9	146.3	173.7	-87.9	-95.5	0	0	0	111.8
225	P	65.8	Low	58	Low	106 Å²	106	140.7 Å²	140.7	69%	0.688	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.7	154.4	-174.3	29.9	-35.5	0	0	0	113.8
226	P	63.2	Low	56.8	Low	127 Å²	127	141.1 Å²	141.1	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.9	136	-177.8	28.5	-33.2	0	0	0	112.7
227	Q	58.2	Low	55.3	Low	198 Å²	198	141.5 Å²	141.5	93%	0.925	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.8	138.4	171.4	-72	-171.5	1.4	0	0	111.4
228	A	58.8	Low	54.4	Low	86 Å²	86	143.9 Å²	143.9	71%	0.711	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-73.9	149.1	-178.8	0	0	0	0	0	113.1
229	P	49.4	Very low	53.4	Low	130 Å²	130	143.1 Å²	143.1	84%	0.844	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.2	122.5	179	32.2	-29	0	0	0	111.4
230	Y	49.8	Very low	51.8	Low	233 Å²	233	146.4 Å²	146.4	91%	0.914	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.7	129	171.1	-101.7	-92.4	0	0	0	111.1
231	G	44.6	Very low	50.6	Low	71 Å²	71	146.2 Å²	146.2	73%	0.732	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.5	149.4	-179	0	0	0	0	0	114.4
232	Y	43.7	Very low	49.6	Very low	230 Å²	230	146.3 Å²	146.3	90%	0.902	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-92.4	147.8	167	-93.8	-96.6	0	0	0	110.5
233	P	50.5	Low	48.6	Very low	120 Å²	120	149 Å²	149	78%	0.779	82%	0.821	S	S	*	*			trans	-117.3	147.4	139.9	12.1	7.5	0	0	0	112.3
234	S	44	Very low	48.1	Very low	126 Å²	126	151.2 Å²	151.2	88%	0.881	82%	0.822	S	S	*	*			trans	-55.3	146.8	-179	50	0	0	0	0	116.4
235	G	48.3	Very low	47.4	Very low	78 Å²	78	143.6 Å²	143.6	80%	0.804	81%	0.812	S	S	*	*			trans	-173.6	100.6	162.3	0	0	0	0	0	111.4
236	Q	40.8	Very low	46.2	Very low	195 Å²	195	147.5 Å²	147.5	91%	0.911	82%	0.815	S	S	*	*			trans	-58.2	144.1	174.8	-65.4	162.3	-66.3	0	0	111.2
237	T	38.2	Very low	45.5	Very low	127 Å²	127	145.6 Å²	145.6	78%	0.779	80%	0.802	S	S	*	*				168	111	129.3	-68.8	0	0	0	0	109.6
238	N	39.2	Very low	44.8	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	79%	0.792	S	S	*	*			trans	48.1	131.4	136.8	-115	-45	0	0	0	121
239	Y	39.9	Very low	44.4	Very low	210 Å²	210	148.2 Å²	148.2	82%	0.824	79%	0.791	S	S	*	*			trans	87.6	99.4	166.8	-60.9	-81.9	0	0	0	119.2
240	M	40.7	Very low	44.6	Very low	174 Å²	174	145.1 Å²	145.1	86%	0.857	77%	0.771	S	S	*	*			trans	47.6	120.5	140	-153.7	177.8	-177.3	0	0	118.9	Q242	M240-Q242 PolarHBondContact O-N 3.49Å
241	P	45.8	Very low	45	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	76%	0.758	S	S	*	*			trans	-73.2	104.2	179.3	30.5	-31.2	0	0	0	110.3	Q243	P241-Q243 PolarHBondContact O-N 2.87Å
242	Q	42.6	Very low	45.4	Very low	187 Å²	187	142.4 Å²	142.4	87%	0.874	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.7	118.7	156.6	-70.6	-171.2	16.2	0	0	107.6	M240	M240-Q242 PolarHBondContact O-N 3.49Å
243	Q	46.3	Very low	45.6	Very low	175 Å²	175	138 Å²	138	82%	0.818	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-60.5	136	172.9	-82.7	-176.5	-21.4	0	0	109.9	P241 G245	P241-Q243 PolarHBondContact O-N 2.87Å; Q243-G245 PolarHBondContact O-N 3.17Å
244	P	45.8	Very low	45.7	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.4	126.8	178.1	-23.5	32.7	0	0	0	111.5	Y246	P244-Y246 PolarHBondContact O-N 3.29Å
245	G	40.2	Very low	46.1	Very low	68 Å²	68	134.7 Å²	134.7	70%	0.701	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-54.4	128.3	178.8	0	0	0	0	0	112	Q243	Q243-G245 PolarHBondContact O-N 3.17Å
246	Y	40.7	Very low	46	Very low	188 Å²	188	137 Å²	137	74%	0.737	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-65.3	128.6	176.5	13.2	-88	0	0	0	110	P244 F248	P244-Y246 PolarHBondContact O-N 3.29Å; Y246-F248 PolarHBondContact O-N 3.46Å
247	P	48.5	Very low	46.2	Very low	87 Å²	87	133.2 Å²	133.2	57%	0.565	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.1	119.4	169.9	23.4	-29.2	0	0	0	109.6	Y249	P247-Y249 HydrophobicContact CB-CE2 4.07Å; P247-Y249 HydrophobicContact CG-CE2 3.91Å; P247-Y249 WeakPolarHBondContact O-CD2 3.23Å; P247-Y249 PolarHBondContact O-N 2.85Å
248	F	43.2	Very low	46.3	Very low	162 Å²	162	131.3 Å²	131.3	71%	0.711	71%	0.709	S	S	*	*			trans	-70.1	103.3	172.7	-177	-90.9	0	0	0	108.7	Y246	Y246-F248 PolarHBondContact O-N 3.46Å
249	Y	50.3	Low	46.3	Very low	176 Å²	176	131.9 Å²	131.9	69%	0.69	71%	0.705	S	S	*	*			trans	-83.7	129.2	170.6	-76.5	-87	0	0	0	109.9	P247	P247-Y249 HydrophobicContact CB-CE2 4.07Å; P247-Y249 HydrophobicContact CG-CE2 3.91Å; P247-Y249 WeakPolarHBondContact O-CD2 3.23Å; P247-Y249 PolarHBondContact O-N 2.85Å
250	P	53.5	Low	46.3	Very low	65 Å²	65	130.4 Å²	130.4	42%	0.422	70%	0.703	S	S	.	*			trans	-62.8	145.3	174.6	25.1	-31.3	0	0	0	110.7	D252	P250-D252 PolarHBondContact O-N 3.19Å
251	P	57.3	Low	46.4	Very low	98 Å²	98	126.5 Å²	126.5	64%	0.636	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-8.9	-168.4	25	-34	0	0	0	115.6
252	D	53.9	Low	46.1	Very low	149 Å²	149	129 Å²	129	80%	0.797	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	6	-171.1	-62.2	-55.5	0	0	0	114.6	P250	P250-D252 PolarHBondContact O-N 3.19Å
253	Q	47.2	Very low	46.2	Very low	139 Å²	139	125.6 Å²	125.6	65%	0.65	69%	0.691	S	S	*	*			trans	-106.9	111.5	-177.2	-139.5	171.6	-6.8	0	0	111.6
254	P	54.3	Low	46	Very low	107 Å²	107	123.8 Å²	123.8	70%	0.695	69%	0.692	S	S	*	*			trans	-62.5	141.3	170	26.1	-32	0	0	0	109.4
255	P	51.7	Low	45.7	Very low	69 Å²	69	121.2 Å²	121.2	45%	0.448	69%	0.688	S	S	.	*			trans	-62.1	143.5	-177.3	23.9	-32.3	0	0	0	111.2	Y257	P255-Y257 VanDerWaalsContact C-N 3.25Å; P255-Y257 HydrophobicContact CB-CD1 4.26Å; P255-Y257 HydrophobicContact CB-CE1 3.63Å; P255-Y257 HydrophobicContact CB-CE2 4.1Å; P255-Y257 HydrophobicContact CG-CE1 4.49Å; P255-Y257 HydrophobicContact CG-CE2 4.11Å; P255-Y257 PolarHBondContact O-N 3.01Å
256	P	45.1	Very low	45.8	Very low	127 Å²	127	125.6 Å²	125.6	83%	0.825	70%	0.695	S	S	*	*	S	Bend	trans	-81.5	72.5	-176.7	34.7	-33.5	0	0	0	109.6
257	Y	46.7	Very low	45.8	Very low	115 Å²	115	120 Å²	120	45%	0.451	70%	0.695	S	S	.	*	S	Bend	trans	-162.5	132.4	164.1	42	-97.9	0	0	0	109.7	P255 F259	P255-Y257 VanDerWaalsContact C-N 3.25Å; P255-Y257 HydrophobicContact CB-CD1 4.26Å; P255-Y257 HydrophobicContact CB-CE1 3.63Å; P255-Y257 HydrophobicContact CB-CE2 4.1Å; P255-Y257 HydrophobicContact CG-CE1 4.49Å; P255-Y257 HydrophobicContact CG-CE2 4.11Å; P255-Y257 PolarHBondContact O-N 3.01Å; Y257-F259 VanDerWaalsContact C-N 3.31Å; Y257-F259 AromaticContact CD2-CD2 3.43Å; Y257-F259 HydrophobicContact CD2-CD2 3.43Å; Y257-F259 VanDerWaalsContact CD2-CD2 3.43Å; Y257-F259 AromaticContact CD2-CE2 3.35Å; Y257-F259 HydrophobicContact CD2-CE2 3.35Å; Y257-F259 AromaticContact CE2-CD2 3.53Å; Y257-F259 HydrophobicContact CE2-CD2 3.53Å; Y257-F259 AromaticContact CE2-CE2 3.28Å; Y257-F259 HydrophobicContact CE2-CE2 3.28Å; Y257-F259 PolarHBondContact O-N 3.48Å
258	G	39.6	Very low	45.2	Very low	87 Å²	87	119.2 Å²	119.2	90%	0.897	70%	0.702	S	S	*	*			trans	-69.3	72.9	-166.3	0	0	0	0	0	115	K260	G258-K260 PolarHBondContact O-N 3.26Å
259	F	39.7	Very low	44.9	Very low	138 Å²	138	117 Å²	117	61%	0.605	70%	0.704	S	S	*	*			trans	-67.6	112.7	155.1	-80.6	-83.6	0	0	0	107.7	Y257 A261	Y257-F259 VanDerWaalsContact C-N 3.31Å; Y257-F259 AromaticContact CD2-CD2 3.43Å; Y257-F259 HydrophobicContact CD2-CD2 3.43Å; Y257-F259 VanDerWaalsContact CD2-CD2 3.43Å; Y257-F259 AromaticContact CD2-CE2 3.35Å; Y257-F259 HydrophobicContact CD2-CE2 3.35Å; Y257-F259 AromaticContact CE2-CD2 3.53Å; Y257-F259 HydrophobicContact CE2-CD2 3.53Å; Y257-F259 AromaticContact CE2-CE2 3.28Å; Y257-F259 HydrophobicContact CE2-CE2 3.28Å; Y257-F259 PolarHBondContact O-N 3.48Å; F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.09Å
260	K	40.1	Very low	44.2	Very low	180 Å²	180	118.3 Å²	118.3	78%	0.783	71%	0.713	S	S	*	*			trans	-59.1	101	157.3	-79.3	177.8	177	176.7	0	105.7	G258 F262	G258-K260 PolarHBondContact O-N 3.26Å; K260-F262 PolarHBondContact O-N 3.37Å
261	A	41.1	Very low	43.5	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	74%	0.737	S	S	*	*			trans	-55.5	101.4	155.4	0	0	0	0	0	104.8	F259 P263	F259-A261 VanDerWaalsContact C-N 3.26Å; F259-A261 PolarHBondContact O-N 3.09Å; A261-P263 WeakPolarHBondContact O-CD 3.06Å
262	F	40	Very low	42.4	Very low	179 Å²	179	121.2 Å²	121.2	79%	0.785	74%	0.743	S	S	*	*			trans	-58.4	125.3	165.2	-76	-85.9	0	0	0	104.8	K260 T264	K260-F262 PolarHBondContact O-N 3.37Å; F262-T264 PolarHBondContact O-N 3.44Å
263	P	44.3	Very low	41.5	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	74%	0.741	S	S	*	*			trans	-53	124.3	170.8	22.8	-30.3	0	0	0	105.6	A261 G265	A261-P263 WeakPolarHBondContact O-CD 3.06Å; P263-G265 PolarHBondContact O-N 3.16Å
264	T	42.1	Very low	41	Very low	136 Å²	136	126.8 Å²	126.8	83%	0.834	77%	0.769	S	S	*	*			trans	-51.9	93.1	162.3	26.7	0	0	0	0	105.8	F262 D266	F262-T264 PolarHBondContact O-N 3.44Å; T264-D266 PolarHBondContact O-N 3.36Å
265	G	40.3	Very low	40.3	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	77%	0.773	S	S	*	*			trans	-72.4	96.1	-176.3	0	0	0	0	0	107.6	P263 G267	P263-G265 PolarHBondContact O-N 3.16Å; G265-G267 PolarHBondContact O-N 2.92Å
266	D	41.8	Very low	39.7	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	79%	0.79	S	S	*	*			trans	-48.1	124.4	154.6	-72.1	-50.2	0	0	0	109.2	T264	T264-D266 PolarHBondContact O-N 3.36Å
267	G	41.1	Very low	39.4	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	79%	0.788	S	S	*	*	S	Bend	trans	105.5	115.3	165.6	0	0	0	0	0	114.8	G265	G265-G267 PolarHBondContact O-N 2.92Å
268	G	36	Very low	39	Very low	69 Å²	69	132.1 Å²	132.1	71%	0.711	81%	0.807	S	S	*	*	S	Bend	trans	-56.7	-175.3	163.9	0	0	0	0	0	114
269	P	36.8	Very low	38.9	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	80%	0.802	S	S	*	*				-71.1	132.2	-129.5	30.8	-34.3	0	0	0	112.4
270	K	36.3	Very low	38.9	Very low	202 Å²	202	134.7 Å²	134.7	88%	0.878	82%	0.815	S	S	*	*			trans	-118.2	108.9	153.8	-71.7	-156.9	176.4	178.8	0	110.2
271	V	37.7	Very low	38.8	Very low	150 Å²	150	131.4 Å²	131.4	91%	0.909	82%	0.817	S	S	*	*			trans	-41.5	127.8	159.6	-155.9	0	0	0	0	109.5
272	G	35.7	Very low	38.6	Very low	75 Å²	75	134.5 Å²	134.5	77%	0.773	82%	0.822	S	S	*	*			trans	-167.2	89	176.1	0	0	0	0	0	109.8
273	A	33.9	Very low	38.5	Very low	92 Å²	92	130.8 Å²	130.8	76%	0.76	83%	0.825	S	S	*	*			trans	-67.4	129.6	171.1	0	0	0	0	0	110.4
274	Y	36.2	Very low	38	Very low	313 Å²	313	132.3 Å²	132.3	100%	1.227	83%	0.833	S	S	*	*			trans	-155.7	0	139.4	-93.1	-75.1	0	0	0	108

Retrieved 274 of 274 residues in 376.5 ms (Link to these results)

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