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STING ER exit protein

Molecular adapter that stimulates membrane curvature formation and subsequent endoplasmic reticulum exit site (ERES) establishment by recruiting PI3K complex I, leading to COPII vesicle-mediated transport. Promotes endoplasmic reticulum (ER) exit of cGAMP-activated STING1 oligomers.

AlphaFold DB (A0A4W5KU22), UniProt , Accession A0A060VZ70, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene steep1, Length 224 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	53.8	Low	54.8	Low	237 Å²	237	147.4 Å²	147.4	100%	1.167	82%	0.822	S	S	*	*				0	120.8	0	-74.1	175.1	161.1	0	0	108.6	K3	M1-K3 PolarHBondContact O-N 2.82Å
2	P	52.5	Low	54.2	Low	129 Å²	129	142.5 Å²	142.5	84%	0.838	81%	0.805	S	S	*	*			trans	-73.8	126.8	175.8	-3.1	19.9	0	0	0	109.2	V4	P2-V4 PolarHBondContact O-N 3.33Å
3	K	53.4	Low	53.7	Low	198 Å²	198	139.2 Å²	139.2	86%	0.861	78%	0.784	S	S	*	*			trans	-69.6	111.4	176.6	-76.1	179.7	176.5	172.7	0	109.1	M1 V5	M1-K3 PolarHBondContact O-N 2.82Å; K3-V5 PolarHBondContact O-N 3.23Å
4	V	62.9	Low	53.4	Low	137 Å²	137	138.3 Å²	138.3	83%	0.83	78%	0.784	S	S	*	*			trans	-69.4	113.3	170	171.8	0	0	0	0	107.9	P2	P2-V4 PolarHBondContact O-N 3.33Å
5	V	55.3	Low	53.2	Low	118 Å²	118	140.8 Å²	140.8	72%	0.715	78%	0.776	S	S	*	*			trans	-100.9	102.4	170.6	-174.4	0	0	0	0	107.2	K3 R7	K3-V5 PolarHBondContact O-N 3.23Å; V5-R7 PolarHBondContact O-N 3.42Å
6	S	52	Low	52.8	Low	110 Å²	110	140.5 Å²	140.5	77%	0.769	77%	0.773	S	S	*	*			trans	-74.4	104.1	171.8	52.6	0	0	0	0	109.1	S8	S6-S8 PolarHBondContact O-N 2.88Å
7	R	61.4	Low	52.3	Low	224 Å²	224	145.9 Å²	145.9	85%	0.845	78%	0.779	S	S	*	*			trans	-82	106	165.3	-74.1	-177	161.4	-170.8	-5.6	107.9	V5 V9	V5-R7 PolarHBondContact O-N 3.42Å; R7-V9 PolarHBondContact O-N 2.83Å; R7-V9 VanDerWaalsContact O-N 3.14Å
8	S	52.3	Low	52.3	Low	109 Å²	109	145.9 Å²	145.9	76%	0.762	77%	0.773	S	S	*	*			trans	-67.5	106.5	167.6	51.2	0	0	0	0	108.1	S6 V10	S6-S8 PolarHBondContact O-N 2.88Å; S8-V10 PolarHBondContact O-N 2.83Å
9	V	59.5	Low	51.9	Low	132 Å²	132	147.3 Å²	147.3	80%	0.8	78%	0.775	S	S	*	*			trans	-72	110.8	169.4	-179.3	0	0	0	0	106.6	R7 C11	R7-V9 PolarHBondContact O-N 2.83Å; R7-V9 VanDerWaalsContact O-N 3.14Å; V9-C11 PolarHBondContact O-N 2.76Å
10	V	51.2	Low	51.5	Low	119 Å²	119	150 Å²	150	72%	0.721	78%	0.776	S	S	*	*			trans	-67.3	105.1	170	177.5	0	0	0	0	106.4	S8 S12	S8-V10 PolarHBondContact O-N 2.83Å; V10-S12 PolarHBondContact O-N 2.82Å
11	C	48.1	Very low	51.3	Low	108 Å²	108	150 Å²	150	73%	0.73	78%	0.777	S	S	*	*			trans	-71.3	88.7	163.6	-115	0	0	0	0	106.6	V9 D13	V9-C11 PolarHBondContact O-N 2.76Å; C11-D13 PolarHBondContact O-N 2.93Å
12	S	48.4	Very low	51	Low	89 Å²	89	145.5 Å²	145.5	62%	0.622	76%	0.758	S	S	*	*			trans	-64.9	98.3	154.1	28.1	0	0	0	0	105.5	V10 T14	V10-S12 PolarHBondContact O-N 2.82Å; S12-T14 PolarHBondContact O-N 3Å
13	D	46.8	Very low	51.2	Low	100 Å²	100	142.7 Å²	142.7	54%	0.535	75%	0.752	S	S	.	*			trans	-59	85.8	162.6	-97.4	-24.9	0	0	0	106.3	C11 R15	C11-D13 PolarHBondContact O-N 2.93Å; D13-R15 HydrophobicContact CB-CG 4.41Å; D13-R15 PolarHBondContact O-N 2.74Å; D13-R15 VanDerWaalsContact O-N 3.1Å; D13-R15 IonicContact OD1-CZ 3.83Å; D13-R15 IonicContact OD1-NE 3.87Å; D13-R15 PolarHBondContact OD1-NE 3.47Å; D13-R15 IonicContact OD1-NH2 3.52Å; D13-R15 PolarHBondContact OD1-NH2 3.13Å; D13-R15 IonicContact OD2-CZ 2.79Å; D13-R15 IonicContact OD2-NE 3.89Å; D13-R15 IonicContact OD2-NH2 3.55Å
14	T	50	Low	51.4	Low	126 Å²	126	141.9 Å²	141.9	77%	0.773	75%	0.751	S	S	*	*			trans	-78.4	41	157.8	56.9	0	0	0	0	108.3	S12 D16	S12-T14 PolarHBondContact O-N 3Å; T14-D16 PolarHBondContact O-N 3.27Å
15	R	50.3	Low	51.5	Low	176 Å²	176	142.8 Å²	142.8	66%	0.664	74%	0.744	S	S	*	*			trans	-75.7	123.9	165.9	-66.5	-172.5	-148.7	171	17.9	105.4	D13	D13-R15 HydrophobicContact CB-CG 4.41Å; D13-R15 PolarHBondContact O-N 2.74Å; D13-R15 VanDerWaalsContact O-N 3.1Å; D13-R15 IonicContact OD1-CZ 3.83Å; D13-R15 IonicContact OD1-NE 3.87Å; D13-R15 PolarHBondContact OD1-NE 3.47Å; D13-R15 IonicContact OD1-NH2 3.52Å; D13-R15 PolarHBondContact OD1-NH2 3.13Å; D13-R15 IonicContact OD2-CZ 2.79Å; D13-R15 IonicContact OD2-NE 3.89Å; D13-R15 IonicContact OD2-NH2 3.55Å
16	D	46.9	Very low	52.7	Low	136 Å²	136	141.9 Å²	141.9	73%	0.727	74%	0.741	S	S	*	*			trans	72.9	42.2	159.6	-37.8	-30.3	0	0	0	114.4	T14 E18	T14-D16 PolarHBondContact O-N 3.27Å; D16-E18 PolarHBondContact O-N 2.98Å; D16-E18 VanDerWaalsContact O-N 3.12Å
17	R	44.4	Very low	54.4	Low	233 Å²	233	142.1 Å²	142.1	88%	0.879	73%	0.733	S	S	*	*			trans	-79	66.9	137.7	-164.8	167.9	174.1	137.9	-3.5	106.8	E19	R17-E19 PolarHBondContact O-N 2.8Å
18	E	52.9	Low	55.8	Low	146 Å²	146	132.6 Å²	132.6	68%	0.682	70%	0.698	S	S	*	*			trans	-52.8	101.9	152.4	-75.5	-177.9	155.9	0	0	104	D16 Y20	D16-E18 PolarHBondContact O-N 2.98Å; D16-E18 VanDerWaalsContact O-N 3.12Å; E18-Y20 PolarHBondContact O-N 3.22Å
19	E	44.6	Very low	57.7	Low	172 Å²	172	129.6 Å²	129.6	80%	0.804	68%	0.675	S	S	*	*			trans	-49.6	101.5	153.5	-108.9	167.7	173.7	0	0	104.3	R17 D21	R17-E19 PolarHBondContact O-N 2.8Å; E19-D21 PolarHBondContact O-N 3.32Å
20	Y	43.4	Very low	59.4	Low	200 Å²	200	123.8 Å²	123.8	78%	0.784	64%	0.639	S	S	*	*			trans	-54.7	92.6	155.6	-87.9	-106.5	0	0	0	103.9	E18 D22	E18-Y20 PolarHBondContact O-N 3.22Å; Y20-D22 PolarHBondContact O-N 3.45Å
21	D	47.9	Very low	61.4	Low	150 Å²	150	121.1 Å²	121.1	80%	0.802	62%	0.616	S	S	*	*			trans	-51.7	104.2	156	-170.8	29.4	0	0	0	103.4	E19 G23	E19-D21 PolarHBondContact O-N 3.32Å; D21-G23 VanDerWaalsContact C-N 3.35Å; D21-G23 VanDerWaalsContact O-CA 3.31Å; D21-G23 WeakPolarHBondContact O-CA 3.44Å; D21-G23 PolarHBondContact O-N 2.96Å
22	D	47.4	Very low	63.6	Low	143 Å²	143	116 Å²	116	77%	0.765	58%	0.582	S	S	*	*			trans	-48.1	104.6	-175.4	-87.5	-52.3	0	0	0	107.1	Y20 E24	Y20-D22 PolarHBondContact O-N 3.45Å; D22-E24 PolarHBondContact O-N 2.86Å
23	G	55.4	Low	65.6	Low	70 Å²	70	117 Å²	117	72%	0.722	58%	0.579	S	S	*	*			trans	-74.5	40.1	-157.7	0	0	0	0	0	114.2	D21 K25	D21-G23 VanDerWaalsContact C-N 3.35Å; D21-G23 VanDerWaalsContact O-CA 3.31Å; D21-G23 WeakPolarHBondContact O-CA 3.44Å; D21-G23 PolarHBondContact O-N 2.96Å; G23-K25 PolarHBondContact O-N 3.15Å
24	E	58.1	Low	67.7	Low	181 Å²	181	114.3 Å²	114.3	85%	0.846	57%	0.567	S	S	*	*			trans	-67.6	95.2	171.3	-67.9	-165.2	170.3	0	0	108.4	D22 P26	D22-E24 PolarHBondContact O-N 2.86Å; E24-P26 VanDerWaalsContact O-N 3.14Å
25	K	66.2	Low	69.6	Low	157 Å²	157	110.8 Å²	110.8	68%	0.683	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-51.7	123.5	170.5	-71.5	174.4	-176.3	169.6	0	108	G23 L27	G23-K25 PolarHBondContact O-N 3.15Å; K25-L27 PolarHBondContact O-N 3Å
26	P	78.9	Confident	71.5	Confident	98 Å²	98	104.4 Å²	104.4	64%	0.636	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-59.6	129.4	-177.5	22.4	-32.6	0	0	0	109.8	E24 H28	E24-P26 VanDerWaalsContact O-N 3.14Å; P26-H28 PolarHBondContact O-CE1 3.06Å; P26-H28 PolarHBondContact O-N 2.7Å; P26-H28 PolarHBondContact O-ND1 2.79Å
27	L	88.4	Confident	73.7	Confident	115 Å²	115	101.3 Å²	101.3	60%	0.602	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-68.4	129.5	175.5	-67.4	175.5	0	0	0	109.7	K25 V40 D42	K25-L27 PolarHBondContact O-N 3Å; L27-V40 HydrophobicContact CB-CG1 4Å; L27-V40 HydrophobicContact CD1-CG1 4.28Å; L27-D42 HydrophobicContact CD2-CB 4.38Å
28	H	90.3	Very high	76.1	Confident	25 Å²	25	90.2 Å²	90.2	12%	0.116	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.9	178.7	-63.7	72.7	0	0	0	109.6	P26 Y30 V40 L41 Q44	P26-H28 PolarHBondContact O-CE1 3.06Å; P26-H28 PolarHBondContact O-N 2.7Å; P26-H28 PolarHBondContact O-ND1 2.79Å; H28-Y30 HydrophobicContact CB-CD2 4.49Å; H28-Y30 HydrophobicContact CB-CE2 3.58Å; H28-V40 CarbonylContact O-C 3.55Å; H28-V40 WeakPolarHBondContact O-CA 3.28Å; H28-L41 WeakPolarHBondContact CA-O 3.29Å; H28-L41 WeakPolarHBondContact CB-O 3.46Å; H28-L41 PolarHBondContact N-O 2.79Å; H28-L41 PolarHBondContact O-N 3.21Å; H28-Q44 WeakPolarHBondContact NE2-CG 3.1Å
29	V	92.9	Very high	78.1	Confident	45 Å²	45	83.3 Å²	83.3	27%	0.273	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.8	178.5	-173.1	0	0	0	0	110	Y31 M37 V40	V29-Y31 HydrophobicContact CB-CE2 4.35Å; V29-Y31 HydrophobicContact CG1-CE2 3.9Å; V29-M37 HydrophobicContact CG1-CG 3.63Å; V29-M37 HydrophobicContact CG1-SD 3.71Å; V29-V40 HydrophobicContact CG2-CG2 4.39Å
30	Y	93.8	Very high	80.4	Confident	11 Å²	11	76.2 Å²	76.2	4%	0.043	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.4	179.5	-59	-87.1	0	0	0	111.5	H28 V38 L39 L41 C43 Q44 L45 V120 K121	H28-Y30 HydrophobicContact CB-CD2 4.49Å; H28-Y30 HydrophobicContact CB-CE2 3.58Å; Y30-V38 PolarHBondContact O-N 3.19Å; Y30-L39 HydrophobicContact CD2-CD2 4.23Å; Y30-L39 HydrophobicContact CD2-CG 4.28Å; Y30-L39 PolarHBondContact N-O 2.87Å; Y30-L39 PolarHBondContact O-N 2.79Å; Y30-L41 HydrophobicContact CD2-CD1 4.2Å; Y30-L41 HydrophobicContact CE2-CB 4.06Å; Y30-L41 HydrophobicContact CE2-CD1 3.87Å; Y30-C43 PolarHBondContact OH-O 3.36Å; Y30-Q44 VanDerWaalsContact OH-CA 3.31Å; Y30-Q44 WeakPolarHBondContact OH-CA 3.43Å; Y30-L45 HydrophobicContact CD1-CD1 3.85Å; Y30-L45 HydrophobicContact CD2-CD1 3.8Å; Y30-L45 HydrophobicContact CE1-CB 4.06Å; Y30-L45 HydrophobicContact CE1-CD1 3.49Å; Y30-L45 VanDerWaalsContact CE1-CD1 3.49Å; Y30-L45 HydrophobicContact CE1-CD2 4.4Å; Y30-L45 HydrophobicContact CE1-CG 4.18Å; Y30-L45 HydrophobicContact CE2-CD1 3.43Å; Y30-L45 VanDerWaalsContact CE2-CD1 3.43Å; Y30-L45 HydrophobicContact CG-CD1 3.99Å; Y30-L45 PolarHBondContact OH-N 2.84Å; Y30-V120 WeakPolarHBondContact CA-O 3.47Å; Y30-K121 HydrophobicContact CD1-CB 4.39Å; Y30-K121 HydrophobicContact CE1-CB 4.37Å
31	Y	94.5	Very high	82.8	Confident	63 Å²	63	66.7 Å²	66.7	25%	0.247	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.3	-173.3	-58.4	-95.7	0	0	0	110	V29 Q36 M37 V119 V120 F122	V29-Y31 HydrophobicContact CB-CE2 4.35Å; V29-Y31 HydrophobicContact CG1-CE2 3.9Å; Y31-Q36 CarbonylContact C-O 3.54Å; Y31-Q36 VanDerWaalsContact CA-O 3.24Å; Y31-Q36 WeakPolarHBondContact CA-O 3.2Å; Y31-M37 HydrophobicContact CD1-CB 4.09Å; Y31-M37 HydrophobicContact CE1-CB 3.98Å; Y31-V119 CarbonylContact O-C 3.46Å; Y31-V119 VanDerWaalsContact O-CA 3.29Å; Y31-V119 WeakPolarHBondContact O-CA 3.41Å; Y31-V120 PolarHBondContact N-O 3.24Å; Y31-V120 PolarHBondContact O-N 3.49Å; Y31-F122 HydrophobicContact CD2-CB 4.17Å; Y31-F122 HydrophobicContact CE2-CB 3.68Å; Y31-F122 HydrophobicContact CE2-CD2 4.23Å; Y31-F122 HydrophobicContact CE2-CG 4.42Å
32	C	94	Very high	84.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	160.8	164.1	-171.8	0	0	0	0	109.5	C34 G35 Q36 V38 L100	C32-C34 PolarHBondContact O-N 3.03Å; C32-C34 VanDerWaalsContact SG-SG 3.68Å; C32-G35 PolarHBondContact O-N 3.29Å; C32-Q36 PolarHBondContact N-O 2.9Å; C32-V38 HydrophobicContact CB-CG1 3.82Å; C32-V38 HydrophobicContact CB-CG2 4.43Å; C32-L100 HydrophobicContact CB-CD2 4.29Å
33	L	90.5	Very high	86.9	Confident	109 Å²	109	55 Å²	55	57%	0.571	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.8	172.1	-57.2	179.8	0	0	0	113.8	G35 L98 V120	L33-G35 VanDerWaalsContact C-N 3.28Å; L33-G35 PolarHBondContact O-N 2.84Å; L33-L98 HydrophobicContact CB-CD2 4.26Å; L33-L98 HydrophobicContact CD1-CD2 3.83Å; L33-L98 HydrophobicContact CG-CD2 3.95Å; L33-V120 HydrophobicContact CD2-CG1 3.86Å
34	C	90.4	Very high	88.5	Confident	43 Å²	43	55.1 Å²	55.1	29%	0.291	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1.4	175.1	72	0	0	0	0	114.3	C32 C93 C96	C32-C34 PolarHBondContact O-N 3.03Å; C32-C34 VanDerWaalsContact SG-SG 3.68Å; C34-C93 VanDerWaalsContact SG-SG 3.62Å; C34-C96 HydrophobicContact CB-CB 3.93Å; C34-C96 VanDerWaalsContact SG-SG 3.66Å
35	G	89.3	Confident	90.1	Very high	53 Å²	53	48 Å²	48	55%	0.546	26%	0.261	S	S	.	.	S	Bend	trans	85.7	0.9	-179.4	0	0	0	0	0	115.5	C32 L33	C32-G35 PolarHBondContact O-N 3.29Å; L33-G35 VanDerWaalsContact C-N 3.28Å; L33-G35 PolarHBondContact O-N 2.84Å
36	Q	90.6	Very high	91.2	Very high	42 Å²	42	47.8 Å²	47.8	20%	0.196	26%	0.263	C	S	.	.			trans	-77	135.5	176.4	-167.2	164.1	22.2	0	0	111	Y31 C32 V38 N70 C93	Y31-Q36 CarbonylContact C-O 3.54Å; Y31-Q36 VanDerWaalsContact CA-O 3.24Å; Y31-Q36 WeakPolarHBondContact CA-O 3.2Å; C32-Q36 PolarHBondContact N-O 2.9Å; Q36-V38 PolarHBondContact O-N 2.83Å; Q36-N70 VanDerWaalsContact CD-CB 3.48Å; Q36-N70 HydrophobicContact CG-CB 3.8Å; Q36-N70 VanDerWaalsContact NE2-CG 3.3Å; Q36-C93 PolarHBondContact OE1-SG 3.18Å
37	M	93.1	Very high	91.8	Very high	71 Å²	71	50.5 Å²	50.5	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	123.3	173	179.4	-176.8	65.7	0	0	109.7	V29 Y31 V40 C69 N70	V29-M37 HydrophobicContact CG1-CG 3.63Å; V29-M37 HydrophobicContact CG1-SD 3.71Å; Y31-M37 HydrophobicContact CD1-CB 4.09Å; Y31-M37 HydrophobicContact CE1-CB 3.98Å; M37-V40 HydrophobicContact SD-CG2 4.36Å; M37-C69 HydrophobicContact CE-CB 3.97Å; M37-N70 PolarHBondContact O-ND2 2.99Å
38	V	95.3	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-26.4	-173	-67.6	0	0	0	0	115.2	Y30 C32 Q36 F68 C69 V71 L100 F101 V119	Y30-V38 PolarHBondContact O-N 3.19Å; C32-V38 HydrophobicContact CB-CG1 3.82Å; C32-V38 HydrophobicContact CB-CG2 4.43Å; Q36-V38 PolarHBondContact O-N 2.83Å; V38-F68 WeakPolarHBondContact O-CA 3.27Å; V38-C69 VanDerWaalsContact CA-O 3.25Å; V38-C69 WeakPolarHBondContact CA-O 3.24Å; V38-C69 PolarHBondContact O-N 3.45Å; V38-V71 HydrophobicContact CB-CG2 4.28Å; V38-L100 HydrophobicContact CB-CD1 3.83Å; V38-L100 HydrophobicContact CG1-CD1 3.53Å; V38-L100 HydrophobicContact CG2-CD1 4.22Å; V38-F101 HydrophobicContact CG2-CZ 4.49Å; V38-V119 HydrophobicContact CG2-CG1 3.72Å
39	L	94.5	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.7	-174.1	174.7	66.4	0	0	0	110.9	Y30 L41 L45 I59 H66 K67 F68 F101 I114	Y30-L39 HydrophobicContact CD2-CD2 4.23Å; Y30-L39 HydrophobicContact CD2-CG 4.28Å; Y30-L39 PolarHBondContact N-O 2.87Å; Y30-L39 PolarHBondContact O-N 2.79Å; L39-L41 HydrophobicContact CD1-CD1 4.24Å; L39-L41 HydrophobicContact CD1-CG 3.93Å; L39-L41 HydrophobicContact CD2-CD1 3.43Å; L39-L41 VanDerWaalsContact CD2-CD1 3.43Å; L39-L41 HydrophobicContact CD2-CG 4.04Å; L39-L41 HydrophobicContact CG-CD1 3.83Å; L39-L41 HydrophobicContact CG-CG 3.88Å; L39-L45 HydrophobicContact CD2-CD1 4.32Å; L39-I59 HydrophobicContact CD1-CD1 4.06Å; L39-I59 HydrophobicContact CD2-CD1 4.1Å; L39-H66 HydrophobicContact CD1-CB 4.45Å; L39-K67 WeakPolarHBondContact CA-O 3.41Å; L39-F68 HydrophobicContact CD1-CD1 3.88Å; L39-F68 HydrophobicContact CD1-CE1 3.72Å; L39-F101 HydrophobicContact CB-CZ 3.94Å; L39-F101 HydrophobicContact CD2-CE1 3.95Å; L39-F101 HydrophobicContact CD2-CZ 4.11Å; L39-F101 HydrophobicContact CG-CZ 4.47Å; L39-I114 HydrophobicContact CD2-CD1 3.87Å
40	V	93.9	Very high	92.3	Very high	24 Å²	24	50 Å²	50	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.5	166.8	-174.7	0	0	0	0	107.4	L27 H28 V29 M37 H66 K67	L27-V40 HydrophobicContact CB-CG1 4Å; L27-V40 HydrophobicContact CD1-CG1 4.28Å; H28-V40 CarbonylContact O-C 3.55Å; H28-V40 WeakPolarHBondContact O-CA 3.28Å; V29-V40 HydrophobicContact CG2-CG2 4.39Å; M37-V40 HydrophobicContact SD-CG2 4.36Å; V40-H66 CarbonylContact O-C 3.53Å; V40-H66 WeakPolarHBondContact O-CA 3.19Å; V40-K67 HydrophobicContact CB-CB 4.37Å; V40-K67 PolarHBondContact N-O 2.85Å; V40-K67 PolarHBondContact O-N 2.84Å
41	L	92.8	Very high	92.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.7	-177.3	-85.9	164.4	0	0	0	110.7	H28 Y30 L39 C43 L45 L48 I59 H64 H66	H28-L41 WeakPolarHBondContact CA-O 3.29Å; H28-L41 WeakPolarHBondContact CB-O 3.46Å; H28-L41 PolarHBondContact N-O 2.79Å; H28-L41 PolarHBondContact O-N 3.21Å; Y30-L41 HydrophobicContact CD2-CD1 4.2Å; Y30-L41 HydrophobicContact CE2-CB 4.06Å; Y30-L41 HydrophobicContact CE2-CD1 3.87Å; L39-L41 HydrophobicContact CD1-CD1 4.24Å; L39-L41 HydrophobicContact CD1-CG 3.93Å; L39-L41 HydrophobicContact CD2-CD1 3.43Å; L39-L41 VanDerWaalsContact CD2-CD1 3.43Å; L39-L41 HydrophobicContact CD2-CG 4.04Å; L39-L41 HydrophobicContact CG-CD1 3.83Å; L39-L41 HydrophobicContact CG-CG 3.88Å; L41-C43 PolarHBondContact O-N 3.27Å; L41-L45 HydrophobicContact CD1-CD1 3.6Å; L41-L48 HydrophobicContact CD1-CD1 4.14Å; L41-I59 HydrophobicContact CD1-CD1 4.28Å; L41-I59 HydrophobicContact CD2-CD1 4.17Å; L41-I59 HydrophobicContact CD2-CG1 4.25Å; L41-I59 HydrophobicContact CD2-CG2 4.14Å; L41-H64 HydrophobicContact CD2-CB 4.49Å; L41-H66 HydrophobicContact CD2-CB 3.55Å; L41-H66 HydrophobicContact CG-CB 4.27Å
42	D	91.4	Very high	92	Very high	34 Å²	34	54.4 Å²	54.4	18%	0.182	30%	0.296	C	S	.	.	S	Bend	trans	-72.7	-10.6	170.3	64.1	-8.6	0	0	0	114.2	L27 H64 A65	L27-D42 HydrophobicContact CD2-CB 4.38Å; D42-H64 WeakPolarHBondContact OD1-CB 3.4Å; D42-H64 IonicContact OD1-CG 3.24Å; D42-H64 IonicContact OD1-ND1 2.98Å; D42-H64 PolarHBondContact OD1-ND1 2.85Å; D42-H64 VanDerWaalsContact OD1-ND1 3.16Å; D42-H64 WeakPolarHBondContact OD2-CA 3.17Å; D42-H64 IonicContact OD2-ND1 3.87Å; D42-A65 HydrophobicContact CB-CB 4.26Å; D42-A65 PolarHBondContact N-O 2.86Å; D42-A65 VanDerWaalsContact N-O 3.07Å; D42-A65 PolarHBondContact OD2-N 2.92Å
43	C	90.1	Very high	91.7	Very high	14 Å²	14	60.3 Å²	60.3	10%	0.095	32%	0.318	C	S	.	.	S	Bend	trans	-130.7	159.3	-174.5	61.4	0	0	0	0	113.5	Y30 L41 L48 H64	Y30-C43 PolarHBondContact OH-O 3.36Å; L41-C43 PolarHBondContact O-N 3.27Å; C43-L48 VanDerWaalsContact SG-CD2 3.55Å; C43-H64 PolarHBondContact SG-ND1 2.89Å; C43-H64 VanDerWaalsContact SG-ND1 3.38Å
44	Q	89.8	Confident	91.6	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	30%	0.303	S	S	.	.			trans	-72	139.1	172.1	-69.5	175.4	-14.8	0	0	110.5	H28 Y30 E46 K47	H28-Q44 WeakPolarHBondContact NE2-CG 3.1Å; Y30-Q44 VanDerWaalsContact OH-CA 3.31Å; Y30-Q44 WeakPolarHBondContact OH-CA 3.43Å; Q44-E46 PolarHBondContact O-N 2.88Å; Q44-E46 VanDerWaalsContact O-N 3.15Å; Q44-K47 HydrophobicContact CB-CD 4.31Å; Q44-K47 HydrophobicContact CB-CG 4.27Å; Q44-K47 WeakPolarHBondContact O-CB 3.29Å; Q44-K47 PolarHBondContact O-N 3.06Å
45	L	90.9	Very high	91.6	Very high	31 Å²	31	61.3 Å²	61.3	16%	0.162	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.3	-178.7	-119.7	76.3	0	0	0	113.1	Y30 L39 L41 K47 L48 R57 I114 V119	Y30-L45 HydrophobicContact CD1-CD1 3.85Å; Y30-L45 HydrophobicContact CD2-CD1 3.8Å; Y30-L45 HydrophobicContact CE1-CB 4.06Å; Y30-L45 HydrophobicContact CE1-CD1 3.49Å; Y30-L45 VanDerWaalsContact CE1-CD1 3.49Å; Y30-L45 HydrophobicContact CE1-CD2 4.4Å; Y30-L45 HydrophobicContact CE1-CG 4.18Å; Y30-L45 HydrophobicContact CE2-CD1 3.43Å; Y30-L45 VanDerWaalsContact CE2-CD1 3.43Å; Y30-L45 HydrophobicContact CG-CD1 3.99Å; Y30-L45 PolarHBondContact OH-N 2.84Å; L39-L45 HydrophobicContact CD2-CD1 4.32Å; L41-L45 HydrophobicContact CD1-CD1 3.6Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.16Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-R57 WeakPolarHBondContact O-CD 3.31Å; L45-I114 HydrophobicContact CD1-CD1 3.98Å; L45-I114 HydrophobicContact CD2-CD1 4.34Å; L45-I114 HydrophobicContact CG-CD1 4.12Å; L45-V119 HydrophobicContact CD1-CG2 4.46Å; L45-V119 HydrophobicContact CD2-CG2 3.46Å; L45-V119 VanDerWaalsContact CD2-CG2 3.46Å
46	E	90.3	Very high	91.9	Very high	153 Å²	153	58.9 Å²	58.9	72%	0.715	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28.5	-179.9	-66.5	173.9	-169.6	0	0	113.3	Q44 L48 R57	Q44-E46 PolarHBondContact O-N 2.88Å; Q44-E46 VanDerWaalsContact O-N 3.15Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-R57 PolarHBondContact O-NH1 2.81Å
47	K	91.1	Very high	92.1	Very high	155 Å²	155	59.4 Å²	59.4	67%	0.674	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-80.1	-16.3	179.2	-62.6	-178.5	-178.7	177.7	0	112.6	Q44 L45	Q44-K47 HydrophobicContact CB-CD 4.31Å; Q44-K47 HydrophobicContact CB-CG 4.27Å; Q44-K47 WeakPolarHBondContact O-CB 3.29Å; Q44-K47 PolarHBondContact O-N 3.06Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 3.16Å
48	L	92.5	Very high	92.2	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.016	28%	0.281	C	S	.	.	S	Bend	trans	-70.5	142.9	177.1	-67.8	175.4	0	0	0	110.4	L41 C43 L45 E46 M50 R57 I59 I114	L41-L48 HydrophobicContact CD1-CD1 4.14Å; C43-L48 VanDerWaalsContact SG-CD2 3.55Å; L45-L48 WeakPolarHBondContact O-CB 3.5Å; L45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.32Å; L48-M50 PolarHBondContact O-N 3.41Å; L48-R57 HydrophobicContact CB-CB 4.22Å; L48-R57 HydrophobicContact CD1-CB 4.37Å; L48-R57 PolarHBondContact O-NH1 3.32Å; L48-I59 HydrophobicContact CD1-CG1 3.86Å; L48-I114 HydrophobicContact CD1-CD1 4.08Å
49	P	94.3	Very high	92.1	Very high	79 Å²	79	57.3 Å²	57.3	51%	0.513	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-54	139.5	173.2	-23.2	32.4	0	0	0	111.3	R57 V58	P49-R57 WeakPolarHBondContact O-CA 3.29Å; P49-V58 HydrophobicContact CB-CB 4.33Å; P49-V58 PolarHBondContact O-N 3.31Å
50	M	94.5	Very high	92	Very high	93 Å²	93	58.9 Å²	58.9	46%	0.458	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-103.2	131.1	175.8	-173	-174.6	-69.4	0	0	109.6	L48 K55 R57	L48-M50 PolarHBondContact O-N 3.41Å; M50-K55 HydrophobicContact CG-CB 4.43Å; M50-K55 HydrophobicContact SD-CB 4.08Å; M50-K55 HydrophobicContact SD-CG 4.27Å; M50-R57 VanDerWaalsContact CE-CZ 3.44Å
51	R	92.8	Very high	91.8	Very high	42 Å²	42	60.1 Å²	60.1	16%	0.158	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-77.9	126.1	172.6	-177.4	173.6	-176.1	-153.3	11.6	109.1	R53 D54 K55 A56 V58 R81 E86	R51-R53 VanDerWaalsContact C-N 3.26Å; R51-R53 HydrophobicContact CG-CB 4.41Å; R51-R53 PolarHBondContact O-N 3.14Å; R51-D54 WeakPolarHBondContact CB-OD1 3.31Å; R51-D54 WeakPolarHBondContact CD-OD1 3.32Å; R51-D54 VanDerWaalsContact CG-OD1 3.27Å; R51-D54 WeakPolarHBondContact CG-OD1 2.92Å; R51-D54 IonicContact CZ-OD2 3.06Å; R51-D54 IonicContact NE-OD2 3.77Å; R51-D54 IonicContact NH1-OD2 3.88Å; R51-D54 PolarHBondContact NH1-OD2 2.67Å; R51-K55 WeakPolarHBondContact O-CA 3.37Å; R51-K55 PolarHBondContact O-N 2.95Å; R51-A56 PolarHBondContact N-O 2.93Å; R51-V58 HydrophobicContact CB-CG2 4.33Å; R51-R81 VanDerWaalsContact NH1-NH2 3.18Å; R51-E86 IonicContact CZ-OE1 3.96Å; R51-E86 IonicContact CZ-OE2 3.73Å; R51-E86 IonicContact NH1-OE1 3.19Å; R51-E86 PolarHBondContact NH1-OE1 3.4Å; R51-E86 IonicContact NH1-OE2 3.59Å; R51-E86 IonicContact NH2-OE1 2.9Å; R51-E86 IonicContact NH2-OE2 3.16Å; R51-E86 PolarHBondContact NH2-OE2 3.15Å
52	P	89.7	Confident	91.7	Very high	123 Å²	123	64.4 Å²	64.4	80%	0.799	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.3	-174.7	25.8	-34.7	0	0	0	114
53	R	86.9	Confident	91.6	Very high	125 Å²	125	70 Å²	70	47%	0.472	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.2	-173.7	-63.2	-174.1	-176.5	-155.1	-7	113.4	R51 E83	R51-R53 VanDerWaalsContact C-N 3.26Å; R51-R53 HydrophobicContact CG-CB 4.41Å; R51-R53 PolarHBondContact O-N 3.14Å; R53-E83 IonicContact CZ-OE1 2.74Å; R53-E83 IonicContact CZ-OE2 3.57Å; R53-E83 IonicContact NH1-OE2 3.86Å; R53-E83 PolarHBondContact NH1-OE2 3.36Å; R53-E83 IonicContact NH2-OE1 3Å; R53-E83 PolarHBondContact NH2-OE1 2.89Å; R53-E83 IonicContact NH2-OE2 3.27Å; R53-E83 PolarHBondContact NH2-OE2 2.93Å
54	D	88.8	Confident	91.6	Very high	47 Å²	47	71.5 Å²	71.5	25%	0.251	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	6.3	-170.8	45.7	18.6	0	0	0	112.4	R51 A56 R81 Y102	R51-D54 WeakPolarHBondContact CB-OD1 3.31Å; R51-D54 WeakPolarHBondContact CD-OD1 3.32Å; R51-D54 VanDerWaalsContact CG-OD1 3.27Å; R51-D54 WeakPolarHBondContact CG-OD1 2.92Å; R51-D54 IonicContact CZ-OD2 3.06Å; R51-D54 IonicContact NE-OD2 3.77Å; R51-D54 IonicContact NH1-OD2 3.88Å; R51-D54 PolarHBondContact NH1-OD2 2.67Å; D54-A56 PolarHBondContact O-N 3.25Å; D54-A56 WeakPolarHBondContact OD1-CB 3.16Å; D54-A56 PolarHBondContact OD1-N 2.8Å; D54-R81 IonicContact OD2-NH2 3.56Å; D54-R81 PolarHBondContact OD2-NH2 2.81Å; D54-Y102 VanDerWaalsContact CG-OH 3.32Å; D54-Y102 PolarHBondContact OD2-OH 3.37Å
55	K	91.8	Very high	91.7	Very high	127 Å²	127	71.2 Å²	71.2	55%	0.552	38%	0.376	S	S	*	.			trans	56	15.1	-176.1	-58.8	179.4	-178.9	176.9	0	114	M50 R51 D116	M50-K55 HydrophobicContact CG-CB 4.43Å; M50-K55 HydrophobicContact SD-CB 4.08Å; M50-K55 HydrophobicContact SD-CG 4.27Å; R51-K55 WeakPolarHBondContact O-CA 3.37Å; R51-K55 PolarHBondContact O-N 2.95Å; K55-D116 HydrophobicContact CB-CB 4.33Å
56	A	94.3	Very high	91.8	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.008	38%	0.381	C	S	.	.			trans	-66.3	139.1	179.5	0	0	0	0	0	110.6	R51 D54 Y102 F113 I114	R51-A56 PolarHBondContact N-O 2.93Å; D54-A56 PolarHBondContact O-N 3.25Å; D54-A56 WeakPolarHBondContact OD1-CB 3.16Å; D54-A56 PolarHBondContact OD1-N 2.8Å; A56-Y102 HydrophobicContact CB-CE1 4.18Å; A56-Y102 WeakPolarHBondContact CB-OH 3.17Å; A56-F113 HydrophobicContact CB-CB 4.28Å; A56-F113 HydrophobicContact CB-CD1 4.49Å; A56-I114 WeakPolarHBondContact CA-O 3.34Å; A56-I114 VanDerWaalsContact CB-O 3.22Å; A56-I114 WeakPolarHBondContact CB-O 3.37Å
57	R	95.1	Very high	91.9	Very high	54 Å²	54	72 Å²	72	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	140.2	172.5	-65	-65	-176.4	156.3	5	109.7	L45 E46 L48 P49 M50 F113 I114	L45-R57 WeakPolarHBondContact O-CD 3.31Å; E46-R57 PolarHBondContact O-NH1 2.81Å; L48-R57 HydrophobicContact CB-CB 4.22Å; L48-R57 HydrophobicContact CD1-CB 4.37Å; L48-R57 PolarHBondContact O-NH1 3.32Å; P49-R57 WeakPolarHBondContact O-CA 3.29Å; M50-R57 VanDerWaalsContact CE-CZ 3.44Å; R57-F113 CarbonylContact O-C 3.59Å; R57-F113 WeakPolarHBondContact O-CA 3.48Å; R57-I114 HydrophobicContact CB-CB 4.23Å; R57-I114 HydrophobicContact CB-CD1 4.14Å; R57-I114 HydrophobicContact CB-CG1 4.39Å; R57-I114 PolarHBondContact N-O 3.16Å; R57-I114 VanDerWaalsContact N-O 3.14Å; R57-I114 PolarHBondContact O-N 3.05Å
58	V	94.8	Very high	92	Very high	27 Å²	27	67.2 Å²	67.2	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.5	-173.2	-171.4	0	0	0	0	109.6	P49 R51 V111 F113	P49-V58 HydrophobicContact CB-CB 4.33Å; P49-V58 PolarHBondContact O-N 3.31Å; R51-V58 HydrophobicContact CB-CG2 4.33Å; V58-V111 HydrophobicContact CG1-CG1 3.31Å; V58-F113 HydrophobicContact CG1-CD1 4.44Å; V58-F113 HydrophobicContact CG1-CE1 4.12Å; V58-F113 HydrophobicContact CG2-CD1 3.8Å; V58-F113 HydrophobicContact CG2-CE1 3.72Å
59	I	94.3	Very high	92	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.8	170.5	-57.6	169.1	0	0	0	108	L39 L41 L48 H66 F68 V111 T112 I114	L39-I59 HydrophobicContact CD1-CD1 4.06Å; L39-I59 HydrophobicContact CD2-CD1 4.1Å; L41-I59 HydrophobicContact CD1-CD1 4.28Å; L41-I59 HydrophobicContact CD2-CD1 4.17Å; L41-I59 HydrophobicContact CD2-CG1 4.25Å; L41-I59 HydrophobicContact CD2-CG2 4.14Å; L48-I59 HydrophobicContact CD1-CG1 3.86Å; I59-H66 HydrophobicContact CG2-CB 4.21Å; I59-F68 HydrophobicContact CD1-CE1 4.36Å; I59-F68 HydrophobicContact CD1-CZ 4.33Å; I59-V111 CarbonylContact O-C 3.59Å; I59-V111 VanDerWaalsContact O-CA 3.31Å; I59-V111 WeakPolarHBondContact O-CA 3.2Å; I59-T112 PolarHBondContact N-O 3.49Å; I59-T112 PolarHBondContact O-N 3.15Å; I59-I114 HydrophobicContact CD1-CD1 3.62Å; I59-I114 HydrophobicContact CD1-CG1 3.68Å; I59-I114 HydrophobicContact CG1-CD1 3.8Å; I59-I114 HydrophobicContact CG1-CG1 3.94Å
60	D	92.3	Very high	91.9	Very high	33 Å²	33	68.2 Å²	68.2	18%	0.176	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.2	172.3	-174.7	-5.7	0	0	0	109.3	A62 K63 H64	D60-A62 PolarHBondContact O-N 3.16Å; D60-A62 VanDerWaalsContact O-N 3.16Å; D60-A62 PolarHBondContact OD1-N 2.97Å; D60-A62 VanDerWaalsContact OD1-N 3.11Å; D60-K63 HydrophobicContact CB-CB 4.31Å; D60-K63 HydrophobicContact CB-CD 4.27Å; D60-K63 HydrophobicContact CB-CG 4.35Å; D60-K63 PolarHBondContact O-N 3.26Å; D60-K63 WeakPolarHBondContact OD2-CD 3.22Å; D60-K63 WeakPolarHBondContact OD2-CE 3.19Å; D60-K63 IonicContact OD2-NZ 3.15Å; D60-H64 PolarHBondContact O-N 2.78Å
61	A	89.8	Confident	91.9	Very high	50 Å²	50	65.4 Å²	65.4	41%	0.413	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.9	-179.8	0	0	0	0	0	113.5	P110	A61-P110 HydrophobicContact CB-CB 3.88Å; A61-P110 WeakPolarHBondContact CB-O 3.06Å; A61-P110 PolarHBondContact N-O 2.93Å
62	A	89.7	Confident	92	Very high	90 Å²	90	68.3 Å²	68.3	74%	0.744	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-23.4	178.4	0	0	0	0	0	113	D60	D60-A62 PolarHBondContact O-N 3.16Å; D60-A62 VanDerWaalsContact O-N 3.16Å; D60-A62 PolarHBondContact OD1-N 2.97Å; D60-A62 VanDerWaalsContact OD1-N 3.11Å
63	K	89.7	Confident	92.1	Very high	151 Å²	151	68.3 Å²	68.3	66%	0.657	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-31.6	-174.4	-63.7	178.8	-174.7	170.3	0	113.2	D60	D60-K63 HydrophobicContact CB-CB 4.31Å; D60-K63 HydrophobicContact CB-CD 4.27Å; D60-K63 HydrophobicContact CB-CG 4.35Å; D60-K63 PolarHBondContact O-N 3.26Å; D60-K63 WeakPolarHBondContact OD2-CD 3.22Å; D60-K63 WeakPolarHBondContact OD2-CE 3.19Å; D60-K63 IonicContact OD2-NZ 3.15Å
64	H	90.7	Very high	92.2	Very high	46 Å²	46	65.1 Å²	65.1	21%	0.213	35%	0.347	C	S	.	.	S	Bend	trans	-126.2	121.2	-171	-67.2	-57.6	0	0	0	110.9	L41 D42 C43 D60 H66	L41-H64 HydrophobicContact CD2-CB 4.49Å; D42-H64 WeakPolarHBondContact OD1-CB 3.4Å; D42-H64 IonicContact OD1-CG 3.24Å; D42-H64 IonicContact OD1-ND1 2.98Å; D42-H64 PolarHBondContact OD1-ND1 2.85Å; D42-H64 VanDerWaalsContact OD1-ND1 3.16Å; D42-H64 WeakPolarHBondContact OD2-CA 3.17Å; D42-H64 IonicContact OD2-ND1 3.87Å; C43-H64 PolarHBondContact SG-ND1 2.89Å; C43-H64 VanDerWaalsContact SG-ND1 3.38Å; D60-H64 PolarHBondContact O-N 2.78Å; H64-H66 PolarHBondContact O-N 2.82Å; H64-H66 PolarHBondContact O-ND1 2.87Å
65	A	91.3	Very high	92.2	Very high	66 Å²	66	70.2 Å²	70.2	55%	0.545	37%	0.369	S	S	.	.			trans	-68	122.4	169.6	0	0	0	0	0	108.7	D42	D42-A65 HydrophobicContact CB-CB 4.26Å; D42-A65 PolarHBondContact N-O 2.86Å; D42-A65 VanDerWaalsContact N-O 3.07Å; D42-A65 PolarHBondContact OD2-N 2.92Å
66	H	92.7	Very high	92.2	Very high	57 Å²	57	67.4 Å²	67.4	26%	0.264	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.1	-177.7	67.8	-79.7	0	0	0	111.7	L39 V40 L41 I59 H64 F68	L39-H66 HydrophobicContact CD1-CB 4.45Å; V40-H66 CarbonylContact O-C 3.53Å; V40-H66 WeakPolarHBondContact O-CA 3.19Å; L41-H66 HydrophobicContact CD2-CB 3.55Å; L41-H66 HydrophobicContact CG-CB 4.27Å; I59-H66 HydrophobicContact CG2-CB 4.21Å; H64-H66 PolarHBondContact O-N 2.82Å; H64-H66 PolarHBondContact O-ND1 2.87Å; H66-F68 AromaticContact CD2-CE2 3.36Å; H66-F68 WeakPolarHBondContact CD2-CE2 3.36Å; H66-F68 AromaticContact CD2-CZ 3.6Å; H66-F68 AromaticContact NE2-CE2 3.5Å; H66-F68 AromaticContact NE2-CZ 3.97Å
67	K	93.2	Very high	92.1	Very high	144 Å²	144	69.5 Å²	69.5	63%	0.626	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.5	175.4	-173.8	177.1	180	178.7	0	109.8	L39 V40	L39-K67 WeakPolarHBondContact CA-O 3.41Å; V40-K67 HydrophobicContact CB-CB 4.37Å; V40-K67 PolarHBondContact N-O 2.85Å; V40-K67 PolarHBondContact O-N 2.84Å
68	F	93.6	Very high	92	Very high	53 Å²	53	74 Å²	74	23%	0.232	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.5	170.4	-58.9	-69.8	0	0	0	109.6	V38 L39 I59 H66 V71 F101 T112	V38-F68 WeakPolarHBondContact O-CA 3.27Å; L39-F68 HydrophobicContact CD1-CD1 3.88Å; L39-F68 HydrophobicContact CD1-CE1 3.72Å; I59-F68 HydrophobicContact CD1-CE1 4.36Å; I59-F68 HydrophobicContact CD1-CZ 4.33Å; H66-F68 AromaticContact CD2-CE2 3.36Å; H66-F68 WeakPolarHBondContact CD2-CE2 3.36Å; H66-F68 AromaticContact CD2-CZ 3.6Å; H66-F68 AromaticContact NE2-CE2 3.5Å; H66-F68 AromaticContact NE2-CZ 3.97Å; F68-V71 HydrophobicContact CB-CG2 4.3Å; F68-F101 AromaticContact CD1-CD2 3.89Å; F68-F101 HydrophobicContact CD1-CD2 3.89Å; F68-F101 HydrophobicContact CD1-CE1 4.4Å; F68-F101 AromaticContact CD1-CE2 3.69Å; F68-F101 HydrophobicContact CD1-CE2 3.69Å; F68-F101 HydrophobicContact CD1-CG 4.34Å; F68-F101 AromaticContact CD1-CZ 3.99Å; F68-F101 HydrophobicContact CD1-CZ 3.99Å; F68-F101 AromaticContact CE1-CD1 3.88Å; F68-F101 HydrophobicContact CE1-CD1 3.88Å; F68-F101 AromaticContact CE1-CD2 3.94Å; F68-F101 HydrophobicContact CE1-CD2 3.94Å; F68-F101 AromaticContact CE1-CE1 3.91Å; F68-F101 HydrophobicContact CE1-CE1 3.91Å; F68-F101 AromaticContact CE1-CE2 3.97Å; F68-F101 HydrophobicContact CE1-CE2 3.97Å; F68-F101 AromaticContact CE1-CG 3.92Å; F68-F101 HydrophobicContact CE1-CG 3.92Å; F68-F101 AromaticContact CE1-CZ 3.97Å; F68-F101 HydrophobicContact CE1-CZ 3.97Å; F68-T112 HydrophobicContact CE1-CG2 4.31Å; F68-T112 HydrophobicContact CE2-CG2 4.44Å; F68-T112 HydrophobicContact CZ-CG2 3.67Å
69	C	92.7	Very high	91.8	Very high	18 Å²	18	75 Å²	75	12%	0.122	40%	0.395	C	S	.	.			trans	-128.6	138	-178.7	-64.2	0	0	0	0	108.9	M37 V38 V71	M37-C69 HydrophobicContact CE-CB 3.97Å; V38-C69 VanDerWaalsContact CA-O 3.25Å; V38-C69 WeakPolarHBondContact CA-O 3.24Å; V38-C69 PolarHBondContact O-N 3.45Å; C69-V71 WeakPolarHBondContact O-CG2 3.21Å; C69-V71 PolarHBondContact O-N 3.25Å; C69-V71 VanDerWaalsContact O-N 3.1Å
70	N	92	Very high	91.7	Very high	86 Å²	86	84.1 Å²	84.1	46%	0.46	43%	0.434	S	S	.	.	S	Bend	trans	54	33.1	175.4	-49.1	-55.8	0	0	0	115.2	Q36 M37 G94	Q36-N70 VanDerWaalsContact CD-CB 3.48Å; Q36-N70 HydrophobicContact CG-CB 3.8Å; Q36-N70 VanDerWaalsContact NE2-CG 3.3Å; M37-N70 PolarHBondContact O-ND2 2.99Å; N70-G94 PolarHBondContact O-N 2.94Å
71	V	94	Very high	91.6	Very high	33 Å²	33	85.4 Å²	85.4	20%	0.2	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.4	177.7	175.2	0	0	0	0	107.5	V38 F68 C69 K91 K92 L100 F101	V38-V71 HydrophobicContact CB-CG2 4.28Å; F68-V71 HydrophobicContact CB-CG2 4.3Å; C69-V71 WeakPolarHBondContact O-CG2 3.21Å; C69-V71 PolarHBondContact O-N 3.25Å; C69-V71 VanDerWaalsContact O-N 3.1Å; V71-K91 HydrophobicContact CG1-CB 3.45Å; V71-K91 VanDerWaalsContact CG1-CB 3.45Å; V71-K91 HydrophobicContact CG1-CD 4.03Å; V71-K91 HydrophobicContact CG1-CG 4.35Å; V71-K92 WeakPolarHBondContact CA-O 3.36Å; V71-L100 HydrophobicContact CG2-CD1 4.12Å; V71-F101 HydrophobicContact CG1-CD2 4.17Å; V71-F101 HydrophobicContact CG2-CD2 4.09Å; V71-F101 HydrophobicContact CG2-CE2 3.72Å
72	E	93.9	Very high	91.5	Very high	104 Å²	104	88.6 Å²	88.6	49%	0.486	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.8	175.3	-64.8	-177.6	166.7	0	0	109.8	K91 K92	E72-K91 CarbonylContact O-C 3.59Å; E72-K91 VanDerWaalsContact O-CA 3.28Å; E72-K91 WeakPolarHBondContact O-CA 3.47Å; E72-K92 HydrophobicContact CB-CG 4.21Å; E72-K92 PolarHBondContact N-O 3.03Å; E72-K92 PolarHBondContact O-N 3.11Å
73	D	92.6	Very high	91.3	Very high	122 Å²	122	91.4 Å²	91.4	65%	0.652	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	138.8	171.9	-63.8	-43.8	0	0	0	109.3	K91	D73-K91 WeakPolarHBondContact OD1-CD 3.25Å; D73-K91 WeakPolarHBondContact OD1-CE 3.48Å; D73-K91 IonicContact OD1-NZ 3.17Å; D73-K91 PolarHBondContact OD1-NZ 2.81Å
74	D	90.1	Very high	91.2	Very high	59 Å²	59	86 Å²	86	32%	0.316	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-178.9	-178.3	-159.5	26.5	0	0	0	111	R90 K92	D74-R90 HydrophobicContact CB-CB 4.12Å; D74-R90 PolarHBondContact N-O 3.12Å; D74-K92 HydrophobicContact CB-CB 4.46Å; D74-K92 HydrophobicContact CB-CD 4.01Å; D74-K92 HydrophobicContact CB-CG 4.15Å; D74-K92 WeakPolarHBondContact OD1-CE 3.31Å; D74-K92 IonicContact OD1-NZ 2.76Å; D74-K92 PolarHBondContact OD1-NZ 3.46Å
75	E	88.8	Confident	91.2	Very high	154 Å²	154	89.7 Å²	89.7	72%	0.72	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.5	152.4	178.4	-65.1	-176.5	175.9	0	0	113.4
76	N	90.4	Very high	91.2	Very high	67 Å²	67	87.5 Å²	87.5	36%	0.358	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.7	178.7	-54.8	-26	0	0	0	109.6	Q88 Y89	N76-Q88 WeakPolarHBondContact CA-O 3.47Å; N76-Y89 HydrophobicContact CB-CD1 4.34Å; N76-Y89 HydrophobicContact CB-CE1 4.14Å; N76-Y89 VanDerWaalsContact CG-CD1 3.43Å; N76-Y89 VanDerWaalsContact ND2-CE1 3.31Å; N76-Y89 WeakPolarHBondContact ND2-CE1 3.47Å; N76-Y89 WeakPolarHBondContact OD1-CD1 3.41Å; N76-Y89 VanDerWaalsContact OD1-CE1 3.29Å; N76-Y89 WeakPolarHBondContact OD1-CE1 3.47Å
77	V	92.7	Very high	91.1	Very high	46 Å²	46	89 Å²	89	28%	0.279	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.9	-178.6	-179.7	0	0	0	0	110.3	I79 Q88	V77-I79 HydrophobicContact CG1-CG1 4.17Å; V77-Q88 PolarHBondContact N-O 2.91Å; V77-Q88 PolarHBondContact O-N 2.82Å
78	Y	92.4	Very high	91	Very high	148 Å²	148	82.5 Å²	82.5	58%	0.58	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	117.3	174.2	-64.8	-94.5	0	0	0	109.2	I85 R87	Y78-I85 HydrophobicContact CD1-CG2 3.94Å; Y78-I85 HydrophobicContact CG-CG2 4.46Å; Y78-R87 HydrophobicContact CD1-CB 4.08Å; Y78-R87 HydrophobicContact CD1-CG 4.18Å; Y78-R87 HydrophobicContact CE1-CB 4Å; Y78-R87 HydrophobicContact CE1-CG 3.79Å
79	I	91.6	Very high	91	Very high	48 Å²	48	80.7 Å²	80.7	25%	0.246	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.7	179.3	-56.7	-173.8	0	0	0	108.8	V77 R81 E86 Q88	V77-I79 HydrophobicContact CG1-CG1 4.17Å; I79-R81 HydrophobicContact CG2-CG 4.11Å; I79-R81 PolarHBondContact O-N 3.1Å; I79-E86 PolarHBondContact N-O 2.81Å; I79-E86 PolarHBondContact O-N 2.91Å; I79-Q88 VanDerWaalsContact CD1-CD 3.41Å; I79-Q88 HydrophobicContact CD1-CG 4.31Å
80	K	91.9	Very high	91.1	Very high	191 Å²	191	83 Å²	83	83%	0.83	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.8	172.4	-168.3	177	-178.1	179.7	0	109.2
81	R	88.8	Confident	91.2	Very high	61 Å²	61	80.6 Å²	80.6	23%	0.23	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	170.9	173.3	-58.8	-161.8	-171	-120	11.5	110.1	R51 D54 I79 E83 G84 E86	R51-R81 VanDerWaalsContact NH1-NH2 3.18Å; D54-R81 IonicContact OD2-NH2 3.56Å; D54-R81 PolarHBondContact OD2-NH2 2.81Å; I79-R81 HydrophobicContact CG2-CG 4.11Å; I79-R81 PolarHBondContact O-N 3.1Å; R81-E83 VanDerWaalsContact C-N 3.26Å; R81-E83 PolarHBondContact O-N 2.98Å; R81-G84 CarbonylContact C-O 3.56Å; R81-G84 WeakPolarHBondContact CA-O 3.43Å; R81-G84 PolarHBondContact N-O 3.35Å; R81-G84 PolarHBondContact O-N 2.9Å; R81-G84 VanDerWaalsContact O-O 3.1Å; R81-E86 IonicContact CZ-OE1 3.77Å; R81-E86 IonicContact CZ-OE2 2.79Å; R81-E86 VanDerWaalsContact CZ-OE2 3.24Å; R81-E86 IonicContact NE-OE1 2.68Å; R81-E86 IonicContact NE-OE2 3.32Å; R81-E86 PolarHBondContact NE-OE2 2.9Å; R81-E86 IonicContact NH2-OE1 3.84Å; R81-E86 PolarHBondContact NH2-OE1 3.03Å; R81-E86 IonicContact NH2-OE2 2.67Å; R81-E86 PolarHBondContact NH2-OE2 3.27Å; R81-E86 VanDerWaalsContact NH2-OE2 3.15Å
82	A	88.1	Confident	91.3	Very high	116 Å²	116	81.6 Å²	81.6	96%	0.959	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.3	179.5	0	0	0	0	0	113.3
83	E	85.4	Confident	91.3	Very high	150 Å²	150	76.7 Å²	76.7	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.3	-179.1	-65.9	176.9	179.9	0	0	114	R53 R81	R53-E83 IonicContact CZ-OE1 2.74Å; R53-E83 IonicContact CZ-OE2 3.57Å; R53-E83 IonicContact NH1-OE2 3.86Å; R53-E83 PolarHBondContact NH1-OE2 3.36Å; R53-E83 IonicContact NH2-OE1 3Å; R53-E83 PolarHBondContact NH2-OE1 2.89Å; R53-E83 IonicContact NH2-OE2 3.27Å; R53-E83 PolarHBondContact NH2-OE2 2.93Å; R81-E83 VanDerWaalsContact C-N 3.26Å; R81-E83 PolarHBondContact O-N 2.98Å
84	G	89	Confident	91.4	Very high	37 Å²	37	72.5 Å²	72.5	38%	0.381	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.7	-166.3	-178.3	0	0	0	0	0	114.1	R81	R81-G84 CarbonylContact C-O 3.56Å; R81-G84 WeakPolarHBondContact CA-O 3.43Å; R81-G84 PolarHBondContact N-O 3.35Å; R81-G84 PolarHBondContact O-N 2.9Å; R81-G84 VanDerWaalsContact O-O 3.1Å
85	I	90.3	Very high	91.5	Very high	124 Å²	124	76.9 Å²	76.9	64%	0.636	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.5	-178.5	-57.8	173.2	0	0	0	109.1	Y78	Y78-I85 HydrophobicContact CD1-CG2 3.94Å; Y78-I85 HydrophobicContact CG-CG2 4.46Å
86	E	89.9	Confident	91.7	Very high	19 Å²	19	72.7 Å²	72.7	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.8	174.8	-175.7	176.5	133.3	0	0	109.6	R51 I79 R81 Q88	R51-E86 IonicContact CZ-OE1 3.96Å; R51-E86 IonicContact CZ-OE2 3.73Å; R51-E86 IonicContact NH1-OE1 3.19Å; R51-E86 PolarHBondContact NH1-OE1 3.4Å; R51-E86 IonicContact NH1-OE2 3.59Å; R51-E86 IonicContact NH2-OE1 2.9Å; R51-E86 IonicContact NH2-OE2 3.16Å; R51-E86 PolarHBondContact NH2-OE2 3.15Å; I79-E86 PolarHBondContact N-O 2.81Å; I79-E86 PolarHBondContact O-N 2.91Å; R81-E86 IonicContact CZ-OE1 3.77Å; R81-E86 IonicContact CZ-OE2 2.79Å; R81-E86 VanDerWaalsContact CZ-OE2 3.24Å; R81-E86 IonicContact NE-OE1 2.68Å; R81-E86 IonicContact NE-OE2 3.32Å; R81-E86 PolarHBondContact NE-OE2 2.9Å; R81-E86 IonicContact NH2-OE1 3.84Å; R81-E86 PolarHBondContact NH2-OE1 3.03Å; R81-E86 IonicContact NH2-OE2 2.67Å; R81-E86 PolarHBondContact NH2-OE2 3.27Å; R81-E86 VanDerWaalsContact NH2-OE2 3.15Å; E86-Q88 HydrophobicContact CG-CG 4.21Å; E86-Q88 PolarHBondContact OE1-NE2 2.78Å
87	R	91.1	Very high	91.8	Very high	89 Å²	89	71.5 Å²	71.5	34%	0.336	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.8	170.3	-174.1	170.4	58.2	175.8	5.2	109.9	Y78 Y89 H104	Y78-R87 HydrophobicContact CD1-CB 4.08Å; Y78-R87 HydrophobicContact CD1-CG 4.18Å; Y78-R87 HydrophobicContact CE1-CB 4Å; Y78-R87 HydrophobicContact CE1-CG 3.79Å; R87-Y89 WeakPolarHBondContact CD-OH 3.45Å; R87-Y89 HydrophobicContact CG-CE2 4.17Å; R87-Y89 PolarHBondContact NE-OH 3.27Å; R87-Y89 PolarHBondContact NH1-OH 2.9Å; R87-Y89 PolarHBondContact NH2-OH 3.42Å; R87-H104 PolarHBondContact O-ND1 3Å
88	Q	92.5	Very high	91.9	Very high	7 Å²	7	72.2 Å²	72.2	3%	0.033	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.4	179.3	-66.3	-171.5	-14.6	0	0	110.9	N76 V77 I79 E86 R90 Y102 Q103	N76-Q88 WeakPolarHBondContact CA-O 3.47Å; V77-Q88 PolarHBondContact N-O 2.91Å; V77-Q88 PolarHBondContact O-N 2.82Å; I79-Q88 VanDerWaalsContact CD1-CD 3.41Å; I79-Q88 HydrophobicContact CD1-CG 4.31Å; E86-Q88 HydrophobicContact CG-CG 4.21Å; E86-Q88 PolarHBondContact OE1-NE2 2.78Å; Q88-R90 HydrophobicContact CB-CG 4.49Å; Q88-Y102 HydrophobicContact CB-CD2 4.45Å; Q88-Y102 HydrophobicContact CG-CD2 4.03Å; Q88-Q103 WeakPolarHBondContact CA-O 3.46Å
89	Y	93.3	Very high	92	Very high	16 Å²	16	67.3 Å²	67.3	6%	0.063	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	104.4	169.9	-62.7	-77.2	0	0	0	107.6	N76 R87 Y102 Q103 H104 Q105 M106	N76-Y89 HydrophobicContact CB-CD1 4.34Å; N76-Y89 HydrophobicContact CB-CE1 4.14Å; N76-Y89 VanDerWaalsContact CG-CD1 3.43Å; N76-Y89 VanDerWaalsContact ND2-CE1 3.31Å; N76-Y89 WeakPolarHBondContact ND2-CE1 3.47Å; N76-Y89 WeakPolarHBondContact OD1-CD1 3.41Å; N76-Y89 VanDerWaalsContact OD1-CE1 3.29Å; N76-Y89 WeakPolarHBondContact OD1-CE1 3.47Å; R87-Y89 WeakPolarHBondContact CD-OH 3.45Å; R87-Y89 HydrophobicContact CG-CE2 4.17Å; R87-Y89 PolarHBondContact NE-OH 3.27Å; R87-Y89 PolarHBondContact NH1-OH 2.9Å; R87-Y89 PolarHBondContact NH2-OH 3.42Å; Y89-Y102 CarbonylContact O-C 3.5Å; Y89-Y102 WeakPolarHBondContact O-CA 3.1Å; Y89-Y102 WeakPolarHBondContact O-CB 3.4Å; Y89-Q103 WeakPolarHBondContact CD2-O 3.2Å; Y89-Q103 PolarHBondContact N-O 3.16Å; Y89-Q103 PolarHBondContact O-N 2.87Å; Y89-H104 VanDerWaalsContact CE2-O 3.32Å; Y89-H104 WeakPolarHBondContact CE2-O 3.47Å; Y89-Q105 VanDerWaalsContact CE2-C 3.42Å; Y89-Q105 VanDerWaalsContact CE2-CA 3.47Å; Y89-M106 HydrophobicContact CD1-CB 4.47Å; Y89-M106 HydrophobicContact CD1-CE 3.9Å; Y89-M106 HydrophobicContact CD1-CG 3.55Å; Y89-M106 HydrophobicContact CD1-SD 4.35Å; Y89-M106 HydrophobicContact CD2-CG 4.34Å; Y89-M106 HydrophobicContact CE1-CB 4.24Å; Y89-M106 HydrophobicContact CE1-CE 3.62Å; Y89-M106 HydrophobicContact CE1-CG 2.98Å; Y89-M106 HydrophobicContact CE1-SD 3.59Å; Y89-M106 VanDerWaalsContact CE1-SD 3.59Å; Y89-M106 HydrophobicContact CE2-CG 3.8Å; Y89-M106 HydrophobicContact CG-CG 4.21Å; Y89-M106 WeakPolarHBondContact OH-CG 3.33Å
90	R	93.6	Very high	92.2	Very high	65 Å²	65	65 Å²	65	25%	0.245	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	148.2	-172.5	-72.9	-174.2	174.2	-176.2	-0	110.7	D74 Q88 L99	D74-R90 HydrophobicContact CB-CB 4.12Å; D74-R90 PolarHBondContact N-O 3.12Å; Q88-R90 HydrophobicContact CB-CG 4.49Å; R90-L99 HydrophobicContact CB-CD1 3.53Å; R90-L99 HydrophobicContact CG-CD1 3.65Å; R90-L99 HydrophobicContact CG-CD2 4.48Å
91	K	94.3	Very high	92.4	Very high	37 Å²	37	55.9 Å²	55.9	16%	0.161	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.1	173.2	-51.2	-165.7	175.1	-156.3	0	110.1	V71 E72 D73 L100 F101	V71-K91 HydrophobicContact CG1-CB 3.45Å; V71-K91 VanDerWaalsContact CG1-CB 3.45Å; V71-K91 HydrophobicContact CG1-CD 4.03Å; V71-K91 HydrophobicContact CG1-CG 4.35Å; E72-K91 CarbonylContact O-C 3.59Å; E72-K91 VanDerWaalsContact O-CA 3.28Å; E72-K91 WeakPolarHBondContact O-CA 3.47Å; D73-K91 WeakPolarHBondContact OD1-CD 3.25Å; D73-K91 WeakPolarHBondContact OD1-CE 3.48Å; D73-K91 IonicContact OD1-NZ 3.17Å; D73-K91 PolarHBondContact OD1-NZ 2.81Å; K91-L100 PolarHBondContact O-N 3.37Å; K91-F101 HydrophobicContact CB-CB 4.2Å; K91-F101 PolarHBondContact N-O 2.9Å; K91-F101 PolarHBondContact O-N 3.06Å
92	K	95.6	Very high	92.6	Very high	54 Å²	54	53.5 Å²	53.5	24%	0.235	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	160.9	-173.4	64.4	-175.8	170.5	-159.6	0	112.2	V71 E72 D74 L98	V71-K92 WeakPolarHBondContact CA-O 3.36Å; E72-K92 HydrophobicContact CB-CG 4.21Å; E72-K92 PolarHBondContact N-O 3.03Å; E72-K92 PolarHBondContact O-N 3.11Å; D74-K92 HydrophobicContact CB-CB 4.46Å; D74-K92 HydrophobicContact CB-CD 4.01Å; D74-K92 HydrophobicContact CB-CG 4.15Å; D74-K92 WeakPolarHBondContact OD1-CE 3.31Å; D74-K92 IonicContact OD1-NZ 2.76Å; D74-K92 PolarHBondContact OD1-NZ 3.46Å; K92-L98 CarbonylContact C-O 3.47Å; K92-L98 WeakPolarHBondContact CA-O 3.45Å
93	C	95.8	Very high	92.8	Very high	1 Å²	1	49 Å²	49	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.8	170.1	180	0	0	0	0	110.1	C34 Q36 K95 C96 G97 L98 L100	C34-C93 VanDerWaalsContact SG-SG 3.62Å; Q36-C93 PolarHBondContact OE1-SG 3.18Å; C93-K95 PolarHBondContact O-N 3.38Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å; C93-G97 VanDerWaalsContact O-CA 3.29Å; C93-G97 WeakPolarHBondContact O-CA 3.31Å; C93-G97 PolarHBondContact O-N 3.48Å; C93-L98 HydrophobicContact CB-CB 4.37Å; C93-L98 PolarHBondContact N-O 2.71Å; C93-L100 HydrophobicContact CB-CD1 3.82Å; C93-L100 HydrophobicContact CB-CG 4.29Å
94	G	93.4	Very high	93	Very high	33 Å²	33	45.9 Å²	45.9	34%	0.34	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22	178.9	0	0	0	0	0	114.8	N70	N70-G94 PolarHBondContact O-N 2.94Å
95	K	92.9	Very high	92.7	Very high	151 Å²	151	48.1 Å²	48.1	66%	0.657	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-45.2	178.7	-177.3	179.7	-178.4	-173	0	114.4	C93	C93-K95 PolarHBondContact O-N 3.38Å
96	C	93.6	Very high	91.8	Very high	67 Å²	67	47.5 Å²	47.5	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-4.5	-171.9	69	0	0	0	0	114.4	C34 C93 L98	C34-C96 HydrophobicContact CB-CB 3.93Å; C34-C96 VanDerWaalsContact SG-SG 3.66Å; C93-C96 VanDerWaalsContact SG-SG 3.63Å; C96-L98 PolarHBondContact O-N 2.85Å; C96-L98 VanDerWaalsContact SG-CB 3.57Å
97	G	91.9	Very high	90.7	Very high	42 Å²	42	55.4 Å²	55.4	43%	0.433	28%	0.276	S	S	.	.			trans	70.4	6.6	-178.9	0	0	0	0	0	115.1	C93 L99	C93-G97 VanDerWaalsContact O-CA 3.29Å; C93-G97 WeakPolarHBondContact O-CA 3.31Å; C93-G97 PolarHBondContact O-N 3.48Å; G97-L99 PolarHBondContact O-N 3.24Å
98	L	94.6	Very high	89.5	Confident	60 Å²	60	59.3 Å²	59.3	31%	0.314	30%	0.303	S	S	.	.			trans	-60.6	135.4	177.5	-176.7	67	0	0	0	110.7	L33 K92 C93 C96 L100	L33-L98 HydrophobicContact CB-CD2 4.26Å; L33-L98 HydrophobicContact CD1-CD2 3.83Å; L33-L98 HydrophobicContact CG-CD2 3.95Å; K92-L98 CarbonylContact C-O 3.47Å; K92-L98 WeakPolarHBondContact CA-O 3.45Å; C93-L98 HydrophobicContact CB-CB 4.37Å; C93-L98 PolarHBondContact N-O 2.71Å; C96-L98 PolarHBondContact O-N 2.85Å; C96-L98 VanDerWaalsContact SG-CB 3.57Å; L98-L100 HydrophobicContact CD2-CD2 4.21Å; L98-L100 HydrophobicContact CG-CD2 4.47Å; L98-L100 PolarHBondContact O-N 3.07Å
99	L	95.1	Very high	88.7	Confident	45 Å²	45	61 Å²	61	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	117.5	173.6	179	63.5	0	0	0	110.4	R90 G97 V115	R90-L99 HydrophobicContact CB-CD1 3.53Å; R90-L99 HydrophobicContact CG-CD1 3.65Å; R90-L99 HydrophobicContact CG-CD2 4.48Å; G97-L99 PolarHBondContact O-N 3.24Å; L99-V115 HydrophobicContact CD2-CG2 4.1Å; L99-V115 HydrophobicContact CG-CG2 3.95Å
100	L	95	Very high	88.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-49.3	-175.9	-62.8	172.7	0	0	0	112.2	C32 V38 V71 K91 C93 L98 V115 A118 V119	C32-L100 HydrophobicContact CB-CD2 4.29Å; V38-L100 HydrophobicContact CB-CD1 3.83Å; V38-L100 HydrophobicContact CG1-CD1 3.53Å; V38-L100 HydrophobicContact CG2-CD1 4.22Å; V71-L100 HydrophobicContact CG2-CD1 4.12Å; K91-L100 PolarHBondContact O-N 3.37Å; C93-L100 HydrophobicContact CB-CD1 3.82Å; C93-L100 HydrophobicContact CB-CG 4.29Å; L98-L100 HydrophobicContact CD2-CD2 4.21Å; L98-L100 HydrophobicContact CG-CD2 4.47Å; L98-L100 PolarHBondContact O-N 3.07Å; L100-V115 PolarHBondContact O-N 2.9Å; L100-A118 HydrophobicContact CD2-CB 4.12Å; L100-V119 HydrophobicContact CD2-CG1 4.15Å
101	F	95.1	Very high	88.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.9	-172.1	-48.5	-72.2	0	0	0	110.6	V38 L39 F68 V71 K91 T112 F113 I114 V119	V38-F101 HydrophobicContact CG2-CZ 4.49Å; L39-F101 HydrophobicContact CB-CZ 3.94Å; L39-F101 HydrophobicContact CD2-CE1 3.95Å; L39-F101 HydrophobicContact CD2-CZ 4.11Å; L39-F101 HydrophobicContact CG-CZ 4.47Å; F68-F101 AromaticContact CD1-CD2 3.89Å; F68-F101 HydrophobicContact CD1-CD2 3.89Å; F68-F101 HydrophobicContact CD1-CE1 4.4Å; F68-F101 AromaticContact CD1-CE2 3.69Å; F68-F101 HydrophobicContact CD1-CE2 3.69Å; F68-F101 HydrophobicContact CD1-CG 4.34Å; F68-F101 AromaticContact CD1-CZ 3.99Å; F68-F101 HydrophobicContact CD1-CZ 3.99Å; F68-F101 AromaticContact CE1-CD1 3.88Å; F68-F101 HydrophobicContact CE1-CD1 3.88Å; F68-F101 AromaticContact CE1-CD2 3.94Å; F68-F101 HydrophobicContact CE1-CD2 3.94Å; F68-F101 AromaticContact CE1-CE1 3.91Å; F68-F101 HydrophobicContact CE1-CE1 3.91Å; F68-F101 AromaticContact CE1-CE2 3.97Å; F68-F101 HydrophobicContact CE1-CE2 3.97Å; F68-F101 AromaticContact CE1-CG 3.92Å; F68-F101 HydrophobicContact CE1-CG 3.92Å; F68-F101 AromaticContact CE1-CZ 3.97Å; F68-F101 HydrophobicContact CE1-CZ 3.97Å; V71-F101 HydrophobicContact CG1-CD2 4.17Å; V71-F101 HydrophobicContact CG2-CD2 4.09Å; V71-F101 HydrophobicContact CG2-CE2 3.72Å; K91-F101 HydrophobicContact CB-CB 4.2Å; K91-F101 PolarHBondContact N-O 2.9Å; K91-F101 PolarHBondContact O-N 3.06Å; F101-T112 HydrophobicContact CB-CG2 3.95Å; F101-T112 HydrophobicContact CG-CG2 4.47Å; F101-F113 CarbonylContact C-O 3.5Å; F101-F113 WeakPolarHBondContact CA-O 3.47Å; F101-I114 HydrophobicContact CD1-CB 4.21Å; F101-I114 HydrophobicContact CD1-CG1 3.98Å; F101-I114 HydrophobicContact CD1-CG2 4.16Å; F101-I114 HydrophobicContact CE1-CB 4.25Å; F101-I114 HydrophobicContact CE1-CG1 3.91Å; F101-I114 HydrophobicContact CE1-CG2 3.84Å; F101-V119 HydrophobicContact CE1-CG1 4.4Å; F101-V119 HydrophobicContact CZ-CG1 4.11Å
102	Y	94.1	Very high	88.1	Confident	10 Å²	10	60.5 Å²	60.5	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.6	165.2	64.5	-83.1	0	0	0	111.9	D54 A56 Q88 Y89 F113 V115	D54-Y102 VanDerWaalsContact CG-OH 3.32Å; D54-Y102 PolarHBondContact OD2-OH 3.37Å; A56-Y102 HydrophobicContact CB-CE1 4.18Å; A56-Y102 WeakPolarHBondContact CB-OH 3.17Å; Q88-Y102 HydrophobicContact CB-CD2 4.45Å; Q88-Y102 HydrophobicContact CG-CD2 4.03Å; Y89-Y102 CarbonylContact O-C 3.5Å; Y89-Y102 WeakPolarHBondContact O-CA 3.1Å; Y89-Y102 WeakPolarHBondContact O-CB 3.4Å; Y102-F113 HydrophobicContact CD1-CB 3.93Å; Y102-F113 HydrophobicContact CD2-CB 3.95Å; Y102-F113 HydrophobicContact CD2-CD2 4.03Å; Y102-F113 HydrophobicContact CD2-CG 4.24Å; Y102-F113 HydrophobicContact CE1-CB 3.45Å; Y102-F113 VanDerWaalsContact CE1-CB 3.45Å; Y102-F113 HydrophobicContact CE1-CG 4.4Å; Y102-F113 HydrophobicContact CE2-CB 3.49Å; Y102-F113 VanDerWaalsContact CE2-CB 3.49Å; Y102-F113 HydrophobicContact CE2-CD1 4.39Å; Y102-F113 AromaticContact CE2-CD2 3.67Å; Y102-F113 HydrophobicContact CE2-CD2 3.67Å; Y102-F113 AromaticContact CE2-CG 3.59Å; Y102-F113 HydrophobicContact CE2-CG 3.59Å; Y102-F113 HydrophobicContact CG-CB 4.14Å; Y102-F113 AromaticContact CZ-CG 3.67Å; Y102-F113 PolarHBondContact N-O 3.33Å; Y102-F113 PolarHBondContact O-N 3.43Å; Y102-F113 WeakPolarHBondContact OH-CB 3.49Å; Y102-V115 HydrophobicContact CD1-CG2 3.82Å; Y102-V115 HydrophobicContact CE1-CG2 4.04Å
103	Q	92.7	Very high	88.1	Confident	23 Å²	23	59.4 Å²	59.4	11%	0.107	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.4	176	-66.2	177.2	-14.8	0	0	109.5	Q88 Y89 T112	Q88-Q103 WeakPolarHBondContact CA-O 3.46Å; Y89-Q103 WeakPolarHBondContact CD2-O 3.2Å; Y89-Q103 PolarHBondContact N-O 3.16Å; Y89-Q103 PolarHBondContact O-N 2.87Å; Q103-T112 HydrophobicContact CG-CG2 4.07Å; Q103-T112 PolarHBondContact NE2-OG1 3.09Å
104	H	88.8	Confident	88.1	Confident	83 Å²	83	59.4 Å²	59.4	38%	0.384	32%	0.319	S	S	.	.	S	Bend	trans	-89.9	-18.7	178.2	-167.9	55.2	0	0	0	113.2	R87 Y89	R87-H104 PolarHBondContact O-ND1 3Å; Y89-H104 VanDerWaalsContact CE2-O 3.32Å; Y89-H104 WeakPolarHBondContact CE2-O 3.47Å
105	Q	84.1	Confident	88.1	Confident	85 Å²	85	59.8 Å²	59.8	40%	0.397	32%	0.315	S	S	.	.	S	Bend	trans	-129.1	152.6	178	-57.6	-69.7	0.2	0	0	110.6	Y89 T109	Y89-Q105 VanDerWaalsContact CE2-C 3.42Å; Y89-Q105 VanDerWaalsContact CE2-CA 3.47Å; Q105-T109 HydrophobicContact CB-CG2 3.57Å; Q105-T109 HydrophobicContact CG-CG2 3.68Å
106	M	71.4	Confident	88.2	Confident	111 Å²	111	57.3 Å²	57.3	55%	0.547	31%	0.309	S	S	.	.	S	Bend	trans	-69.7	-43	-173.3	-69.9	-159.1	89.6	0	0	114.8	Y89	Y89-M106 HydrophobicContact CD1-CB 4.47Å; Y89-M106 HydrophobicContact CD1-CE 3.9Å; Y89-M106 HydrophobicContact CD1-CG 3.55Å; Y89-M106 HydrophobicContact CD1-SD 4.35Å; Y89-M106 HydrophobicContact CD2-CG 4.34Å; Y89-M106 HydrophobicContact CE1-CB 4.24Å; Y89-M106 HydrophobicContact CE1-CE 3.62Å; Y89-M106 HydrophobicContact CE1-CG 2.98Å; Y89-M106 HydrophobicContact CE1-SD 3.59Å; Y89-M106 VanDerWaalsContact CE1-SD 3.59Å; Y89-M106 HydrophobicContact CE2-CG 3.8Å; Y89-M106 HydrophobicContact CG-CG 4.21Å; Y89-M106 WeakPolarHBondContact OH-CG 3.33Å
107	K	66.8	Low	88	Confident	184 Å²	184	56.7 Å²	56.7	80%	0.8	31%	0.313	S	S	*	.	S	Bend	trans	-143	131.6	-168.8	-63.8	-175.6	-178.4	-177.3	0	106.2
108	N	64.5	Low	88	Confident	171 Å²	171	55 Å²	55	91%	0.914	30%	0.295	S	S	*	.			trans	81	24.3	175.2	-114.3	9.2	0	0	0	118.4
109	T	76.4	Confident	88	Confident	42 Å²	42	52.7 Å²	52.7	26%	0.258	28%	0.284	S	S	.	.			trans	-89.8	125.2	164.6	35.4	0	0	0	0	110.8	Q105 V111	Q105-T109 HydrophobicContact CB-CG2 3.57Å; Q105-T109 HydrophobicContact CG-CG2 3.68Å; T109-V111 PolarHBondContact O-N 2.86Å
110	P	83.3	Confident	87.8	Confident	61 Å²	61	52.4 Å²	52.4	40%	0.396	28%	0.284	S	S	.	.	S	Bend	trans	-70	-17.8	171.6	28.8	-32.6	0	0	0	111.2	A61	A61-P110 HydrophobicContact CB-CB 3.88Å; A61-P110 WeakPolarHBondContact CB-O 3.06Å; A61-P110 PolarHBondContact N-O 2.93Å
111	V	91.7	Very high	87.5	Confident	44 Å²	44	56 Å²	56	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.2	-174.2	-173.3	0	0	0	0	111.2	V58 I59 T109 F113	V58-V111 HydrophobicContact CG1-CG1 3.31Å; I59-V111 CarbonylContact O-C 3.59Å; I59-V111 VanDerWaalsContact O-CA 3.31Å; I59-V111 WeakPolarHBondContact O-CA 3.2Å; T109-V111 PolarHBondContact O-N 2.86Å; V111-F113 HydrophobicContact CG1-CE1 4.28Å; V111-F113 HydrophobicContact CG1-CE2 3.93Å; V111-F113 HydrophobicContact CG1-CZ 3.76Å
112	T	93.8	Very high	86.5	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137	171.8	-55.5	0	0	0	0	110	I59 F68 F101 Q103	I59-T112 PolarHBondContact N-O 3.49Å; I59-T112 PolarHBondContact O-N 3.15Å; F68-T112 HydrophobicContact CE1-CG2 4.31Å; F68-T112 HydrophobicContact CE2-CG2 4.44Å; F68-T112 HydrophobicContact CZ-CG2 3.67Å; F101-T112 HydrophobicContact CB-CG2 3.95Å; F101-T112 HydrophobicContact CG-CG2 4.47Å; Q103-T112 HydrophobicContact CG-CG2 4.07Å; Q103-T112 PolarHBondContact NE2-OG1 3.09Å
113	F	94.8	Very high	85.1	Confident	31 Å²	31	65.5 Å²	65.5	14%	0.136	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.1	178.9	-59.8	-88.8	0	0	0	109.8	A56 R57 V58 F101 Y102 V111	A56-F113 HydrophobicContact CB-CB 4.28Å; A56-F113 HydrophobicContact CB-CD1 4.49Å; R57-F113 CarbonylContact O-C 3.59Å; R57-F113 WeakPolarHBondContact O-CA 3.48Å; V58-F113 HydrophobicContact CG1-CD1 4.44Å; V58-F113 HydrophobicContact CG1-CE1 4.12Å; V58-F113 HydrophobicContact CG2-CD1 3.8Å; V58-F113 HydrophobicContact CG2-CE1 3.72Å; F101-F113 CarbonylContact C-O 3.5Å; F101-F113 WeakPolarHBondContact CA-O 3.47Å; Y102-F113 HydrophobicContact CD1-CB 3.93Å; Y102-F113 HydrophobicContact CD2-CB 3.95Å; Y102-F113 HydrophobicContact CD2-CD2 4.03Å; Y102-F113 HydrophobicContact CD2-CG 4.24Å; Y102-F113 HydrophobicContact CE1-CB 3.45Å; Y102-F113 VanDerWaalsContact CE1-CB 3.45Å; Y102-F113 HydrophobicContact CE1-CG 4.4Å; Y102-F113 HydrophobicContact CE2-CB 3.49Å; Y102-F113 VanDerWaalsContact CE2-CB 3.49Å; Y102-F113 HydrophobicContact CE2-CD1 4.39Å; Y102-F113 AromaticContact CE2-CD2 3.67Å; Y102-F113 HydrophobicContact CE2-CD2 3.67Å; Y102-F113 AromaticContact CE2-CG 3.59Å; Y102-F113 HydrophobicContact CE2-CG 3.59Å; Y102-F113 HydrophobicContact CG-CB 4.14Å; Y102-F113 AromaticContact CZ-CG 3.67Å; Y102-F113 PolarHBondContact N-O 3.33Å; Y102-F113 PolarHBondContact O-N 3.43Å; Y102-F113 WeakPolarHBondContact OH-CB 3.49Å; V111-F113 HydrophobicContact CG1-CE1 4.28Å; V111-F113 HydrophobicContact CG1-CE2 3.93Å; V111-F113 HydrophobicContact CG1-CZ 3.76Å
114	I	95.4	Very high	83.6	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.8	172.3	-45.3	177.8	0	0	0	107.9	L39 L45 L48 A56 R57 I59 F101 V119	L39-I114 HydrophobicContact CD2-CD1 3.87Å; L45-I114 HydrophobicContact CD1-CD1 3.98Å; L45-I114 HydrophobicContact CD2-CD1 4.34Å; L45-I114 HydrophobicContact CG-CD1 4.12Å; L48-I114 HydrophobicContact CD1-CD1 4.08Å; A56-I114 WeakPolarHBondContact CA-O 3.34Å; A56-I114 VanDerWaalsContact CB-O 3.22Å; A56-I114 WeakPolarHBondContact CB-O 3.37Å; R57-I114 HydrophobicContact CB-CB 4.23Å; R57-I114 HydrophobicContact CB-CD1 4.14Å; R57-I114 HydrophobicContact CB-CG1 4.39Å; R57-I114 PolarHBondContact N-O 3.16Å; R57-I114 VanDerWaalsContact N-O 3.14Å; R57-I114 PolarHBondContact O-N 3.05Å; I59-I114 HydrophobicContact CD1-CD1 3.62Å; I59-I114 HydrophobicContact CD1-CG1 3.68Å; I59-I114 HydrophobicContact CG1-CD1 3.8Å; I59-I114 HydrophobicContact CG1-CG1 3.94Å; F101-I114 HydrophobicContact CD1-CB 4.21Å; F101-I114 HydrophobicContact CD1-CG1 3.98Å; F101-I114 HydrophobicContact CD1-CG2 4.16Å; F101-I114 HydrophobicContact CE1-CB 4.25Å; F101-I114 HydrophobicContact CE1-CG1 3.91Å; F101-I114 HydrophobicContact CE1-CG2 3.84Å; I114-V119 HydrophobicContact CG2-CG1 4.4Å; I114-V119 HydrophobicContact CG2-CG2 3.82Å
115	V	94.9	Very high	81.7	Confident	41 Å²	41	68.7 Å²	68.7	25%	0.248	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-66.1	134.9	174.4	177.7	0	0	0	0	109.9	L99 L100 Y102 G117 A118	L99-V115 HydrophobicContact CD2-CG2 4.1Å; L99-V115 HydrophobicContact CG-CG2 3.95Å; L100-V115 PolarHBondContact O-N 2.9Å; Y102-V115 HydrophobicContact CD1-CG2 3.82Å; Y102-V115 HydrophobicContact CE1-CG2 4.04Å; V115-G117 PolarHBondContact O-N 2.88Å; V115-A118 HydrophobicContact CB-CB 3.85Å; V115-A118 HydrophobicContact CG1-CB 4.23Å; V115-A118 VanDerWaalsContact O-CB 3.31Å; V115-A118 WeakPolarHBondContact O-CB 3.32Å; V115-A118 PolarHBondContact O-N 3.46Å; V115-A118 VanDerWaalsContact O-N 3.16Å
116	D	93.3	Very high	80.2	Confident	99 Å²	99	73.6 Å²	73.6	53%	0.529	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	133	179.7	-171.2	29.8	0	0	0	111.1	K55 A118	K55-D116 HydrophobicContact CB-CB 4.33Å; D116-A118 PolarHBondContact O-N 3.05Å; D116-A118 VanDerWaalsContact O-N 3.13Å
117	G	90.7	Very high	79.3	Confident	53 Å²	53	71.4 Å²	71.4	55%	0.546	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	3.7	-178.1	0	0	0	0	0	116.7	V115	V115-G117 PolarHBondContact O-N 2.88Å
118	A	92.3	Very high	78.2	Confident	6 Å²	6	68.2 Å²	68.2	5%	0.05	41%	0.408	C	S	.	.	S	Bend	trans	-77.5	-25.5	-176.8	0	0	0	0	0	113.9	L100 V115 D116	L100-A118 HydrophobicContact CD2-CB 4.12Å; V115-A118 HydrophobicContact CB-CB 3.85Å; V115-A118 HydrophobicContact CG1-CB 4.23Å; V115-A118 VanDerWaalsContact O-CB 3.31Å; V115-A118 WeakPolarHBondContact O-CB 3.32Å; V115-A118 PolarHBondContact O-N 3.46Å; V115-A118 VanDerWaalsContact O-N 3.16Å; D116-A118 PolarHBondContact O-N 3.05Å; D116-A118 VanDerWaalsContact O-N 3.13Å
119	V	93	Very high	77.2	Confident	13 Å²	13	66.9 Å²	66.9	8%	0.079	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.4	-178.7	-58.1	0	0	0	0	111.4	Y31 V38 L45 L100 F101 I114	Y31-V119 CarbonylContact O-C 3.46Å; Y31-V119 VanDerWaalsContact O-CA 3.29Å; Y31-V119 WeakPolarHBondContact O-CA 3.41Å; V38-V119 HydrophobicContact CG2-CG1 3.72Å; L45-V119 HydrophobicContact CD1-CG2 4.46Å; L45-V119 HydrophobicContact CD2-CG2 3.46Å; L45-V119 VanDerWaalsContact CD2-CG2 3.46Å; L100-V119 HydrophobicContact CD2-CG1 4.15Å; F101-V119 HydrophobicContact CE1-CG1 4.4Å; F101-V119 HydrophobicContact CZ-CG1 4.11Å; I114-V119 HydrophobicContact CG2-CG1 4.4Å; I114-V119 HydrophobicContact CG2-CG2 3.82Å
120	V	91.8	Very high	75.5	Confident	39 Å²	39	68 Å²	68	24%	0.236	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150	-178.7	-66.2	0	0	0	0	110.7	Y30 Y31 L33	Y30-V120 WeakPolarHBondContact CA-O 3.47Å; Y31-V120 PolarHBondContact N-O 3.24Å; Y31-V120 PolarHBondContact O-N 3.49Å; L33-V120 HydrophobicContact CD2-CG1 3.86Å
121	K	89	Confident	73.8	Confident	75 Å²	75	72 Å²	72	33%	0.326	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.3	168.6	-164.6	178.2	178.9	-173.9	0	108.9	Y30 G123 L124	Y30-K121 HydrophobicContact CD1-CB 4.39Å; Y30-K121 HydrophobicContact CE1-CB 4.37Å; K121-G123 PolarHBondContact O-N 3.38Å; K121-L124 HydrophobicContact CB-CD1 4.35Å; K121-L124 PolarHBondContact O-N 2.87Å; K121-L124 VanDerWaalsContact O-N 3.16Å
122	F	74.1	Confident	71.6	Confident	154 Å²	154	80.1 Å²	80.1	68%	0.675	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	127.7	171.8	-163	-97.1	0	0	0	109.9	Y31	Y31-F122 HydrophobicContact CD2-CB 4.17Å; Y31-F122 HydrophobicContact CE2-CB 3.68Å; Y31-F122 HydrophobicContact CE2-CD2 4.23Å; Y31-F122 HydrophobicContact CE2-CG 4.42Å
123	G	65	Low	69.6	Low	55 Å²	55	84.8 Å²	84.8	57%	0.567	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-8.5	-179	0	0	0	0	0	116.7	K121	K121-G123 PolarHBondContact O-N 3.38Å
124	L	61.1	Low	67.4	Low	144 Å²	144	91.6 Å²	91.6	75%	0.754	53%	0.531	S	S	*	.			trans	-115.4	10.2	178.8	-67.2	172.3	0	0	0	113.6	K121	K121-L124 HydrophobicContact CB-CD1 4.35Å; K121-L124 PolarHBondContact O-N 2.87Å; K121-L124 VanDerWaalsContact O-N 3.16Å
125	G	48.9	Very low	65.1	Low	30 Å²	30	100.9 Å²	100.9	31%	0.309	57%	0.572	S	S	.	*	S	Bend	trans	-83.3	147.5	178.3	0	0	0	0	0	113.2	G127	G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 3.1Å
126	I	52.1	Low	62.6	Low	188 Å²	188	104.1 Å²	104.1	96%	0.964	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	89.8	170.3	-55.9	166.7	0	0	0	107.9
127	G	51.5	Low	60.7	Low	65 Å²	65	107.8 Å²	107.8	67%	0.67	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	156	-15	177	0	0	0	0	0	117.5	G125	G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 3.1Å
128	N	44.6	Very low	58.6	Low	116 Å²	116	108.8 Å²	108.8	62%	0.62	61%	0.611	S	S	*	*			trans	-123.3	90.9	-177.3	-70.4	-13.7	0	0	0	112.6	S130	N128-S130 PolarHBondContact O-N 3.34Å
129	T	43.6	Very low	56.3	Low	144 Å²	144	113.8 Å²	113.8	88%	0.883	64%	0.643	S	S	*	*			trans	-62.7	74.4	144.4	47	0	0	0	0	108.9
130	S	41.7	Very low	54.4	Low	66 Å²	66	122.8 Å²	122.8	46%	0.462	68%	0.681	S	S	.	*			trans	-101.5	88.2	166.7	161.5	0	0	0	0	107.6	N128 Y132	N128-S130 PolarHBondContact O-N 3.34Å; S130-Y132 PolarHBondContact O-N 3.15Å
131	V	46.2	Very low	52.2	Low	143 Å²	143	127.6 Å²	127.6	87%	0.867	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-3.9	171.4	177.5	0	0	0	0	112.3
132	Y	46.8	Very low	50.3	Low	215 Å²	215	129.8 Å²	129.8	84%	0.843	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	12.7	-170.8	-138.2	-95.1	0	0	0	116.5	S130	S130-Y132 PolarHBondContact O-N 3.15Å
133	S	51.3	Low	49	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	72%	0.719	S	S	*	*			trans	-149.7	45.2	172.2	-80.5	0	0	0	0	113.1
134	Q	48.3	Very low	48.1	Very low	174 Å²	174	134 Å²	134	81%	0.813	73%	0.725	S	S	*	*			trans	-100.4	78.2	148.3	-66.5	-175.2	-8.7	0	0	106.4	P136	Q134-P136 VanDerWaalsContact C-N 3.32Å; Q134-P136 WeakPolarHBondContact O-CD 3.34Å
135	K	47.7	Very low	47.5	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	72%	0.724	S	S	*	*			trans	-67.1	108	140.3	-102.3	-174.8	176.8	-179	0	102.8	E137	K135-E137 PolarHBondContact O-N 2.91Å
136	P	42.6	Very low	47.5	Very low	110 Å²	110	140.3 Å²	140.3	71%	0.714	75%	0.746	S	S	*	*			trans	-51.7	122.1	167.1	21.9	-30.5	0	0	0	105.8	Q134 A138	Q134-P136 VanDerWaalsContact C-N 3.32Å; Q134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-A138 PolarHBondContact O-N 2.92Å
137	E	51.9	Low	47.6	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	73%	0.725	S	S	*	*			trans	-51.1	113.2	166.3	-74.6	-177.5	-178.5	0	0	104.9	K135 P139	K135-E137 PolarHBondContact O-N 2.91Å; E137-P139 VanDerWaalsContact O-N 3.17Å
138	A	46.9	Very low	47.9	Very low	74 Å²	74	140.1 Å²	140.1	61%	0.612	73%	0.727	S	S	*	*			trans	-51.6	128.8	-176.2	0	0	0	0	0	107	P136 K140	P136-A138 PolarHBondContact O-N 2.92Å; A138-K140 PolarHBondContact O-N 2.88Å
139	P	43.8	Very low	48.5	Very low	111 Å²	111	144.1 Å²	144.1	72%	0.721	73%	0.733	S	S	*	*			trans	-52.8	124.6	179.9	21.6	-31.9	0	0	0	107.3	E137 K141	E137-P139 VanDerWaalsContact O-N 3.17Å; P139-K141 WeakPolarHBondContact O-CG 3.23Å; P139-K141 PolarHBondContact O-N 2.87Å
140	K	53.9	Low	49.3	Very low	202 Å²	202	140.6 Å²	140.6	88%	0.878	71%	0.711	S	S	*	*			trans	-48.7	107.6	178.2	-69.5	-174.4	178.1	-166.7	0	107.6	A138 V142	A138-K140 PolarHBondContact O-N 2.88Å; K140-V142 VanDerWaalsContact C-N 3.32Å; K140-V142 PolarHBondContact O-N 2.81Å
141	K	44.9	Very low	50	Low	141 Å²	141	145 Å²	145	61%	0.613	72%	0.722	S	S	*	*			trans	-71.2	91.5	-174.5	-62.6	-174.7	-172.7	-179.8	0	107.3	P139 R143 E166	P139-K141 WeakPolarHBondContact O-CG 3.23Å; P139-K141 PolarHBondContact O-N 2.87Å; K141-R143 PolarHBondContact O-N 3.43Å; K141-E166 IonicContact NZ-OE1 3.64Å; K141-E166 PolarHBondContact NZ-OE1 3.05Å
142	V	49.6	Very low	50.4	Low	120 Å²	120	144 Å²	144	73%	0.727	71%	0.712	S	S	*	*			trans	-66.8	104.2	165.2	-179.2	0	0	0	0	105.6	K140 V144	K140-V142 VanDerWaalsContact C-N 3.32Å; K140-V142 PolarHBondContact O-N 2.81Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.5Å; V142-V144 HydrophobicContact CG1-CG2 3.87Å; V142-V144 PolarHBondContact O-N 2.93Å
143	R	47.5	Very low	50.6	Low	186 Å²	186	142.5 Å²	142.5	70%	0.702	72%	0.715	S	S	*	*			trans	-66.5	90.9	174.5	-75.2	-176.7	162	-175.7	-5	108.6	K141 M145 E166	K141-R143 PolarHBondContact O-N 3.43Å; R143-M145 PolarHBondContact O-N 2.73Å; R143-E166 IonicContact CZ-OE2 3.15Å; R143-E166 IonicContact NH2-OE2 2.85Å; R143-E166 PolarHBondContact NH2-OE2 3.03Å
144	V	46.4	Very low	51.2	Low	113 Å²	113	141 Å²	141	69%	0.685	72%	0.716	S	S	*	*			trans	-86.3	94.2	173.1	-176.6	0	0	0	0	108	V142 M146	V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.5Å; V142-V144 HydrophobicContact CG1-CG2 3.87Å; V142-V144 PolarHBondContact O-N 2.93Å; V144-M146 HydrophobicContact CG1-CG 4.48Å; V144-M146 PolarHBondContact O-N 3.39Å
145	M	48	Very low	51.7	Low	152 Å²	152	141.2 Å²	141.2	75%	0.749	71%	0.714	S	S	*	*			trans	-79.1	110.4	171.2	-69.9	-173	-117.5	0	0	109.8	R143	R143-M145 PolarHBondContact O-N 2.73Å
146	M	48.5	Very low	51.8	Low	154 Å²	154	139 Å²	139	76%	0.759	70%	0.704	S	S	*	*			trans	-86.9	114.2	169.8	-73.9	-170.8	90.3	0	0	110.1	V144	V144-M146 HydrophobicContact CG1-CG 4.48Å; V144-M146 PolarHBondContact O-N 3.39Å
147	T	54.1	Low	52.1	Low	87 Å²	87	136.8 Å²	136.8	53%	0.534	69%	0.692	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	104.6	169.9	54.7	0	0	0	0	109.6	T160	T147-T160 HydrophobicContact CG2-CG2 4.06Å
148	K	57	Low	52	Low	161 Å²	161	132.7 Å²	132.7	70%	0.7	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	111.9	172.8	-165.4	175.6	-179.4	179.6	0	108.5
149	R	58.5	Low	52.3	Low	201 Å²	201	133.4 Å²	133.4	76%	0.758	68%	0.679	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.4	113.9	173	-64.5	-177.5	-177.6	-172	-0.4	108.8
150	T	60.2	Low	52.8	Low	69 Å²	69	132.7 Å²	132.7	42%	0.423	67%	0.673	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	125	169.9	42.1	0	0	0	0	109
151	K	57.1	Low	52.6	Low	159 Å²	159	128.6 Å²	128.6	69%	0.691	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.2	115.7	170.7	-61.4	-170.7	-161.9	-170	0	107.5	F156	K151-F156 HydrophobicContact CD-CD1 4.14Å; K151-F156 HydrophobicContact CD-CE1 3.59Å; K151-F156 HydrophobicContact CD-CZ 4.31Å; K151-F156 HydrophobicContact CG-CD1 3.96Å; K151-F156 HydrophobicContact CG-CE1 3.95Å
152	D	53.2	Low	52.9	Low	123 Å²	123	125.8 Å²	125.8	66%	0.658	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.2	130.3	162	-167.1	14.5	0	0	0	108.3	G154 K155	D152-G154 VanDerWaalsContact C-N 3.3Å; D152-G154 PolarHBondContact O-N 2.94Å; D152-K155 PolarHBondContact O-N 3.46Å; D152-K155 VanDerWaalsContact O-N 3.14Å
153	M	52.3	Low	53.3	Low	183 Å²	183	126.3 Å²	126.3	90%	0.901	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	37.5	49.3	178.6	-64.3	-62.6	-152.8	0	0	116.2	K155	M153-K155 VanDerWaalsContact C-N 3.27Å; M153-K155 PolarHBondContact O-N 2.88Å
154	G	61.9	Low	53.8	Low	70 Å²	70	121.4 Å²	121.4	72%	0.722	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.8	2.5	170.8	0	0	0	0	0	116.2	D152	D152-G154 VanDerWaalsContact C-N 3.3Å; D152-G154 PolarHBondContact O-N 2.94Å
155	K	58.9	Low	54.1	Low	177 Å²	177	122 Å²	122	77%	0.77	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.8	108.7	174.1	-154	172.4	-175.3	-179.8	0	109.4	D152 M153 S157	D152-K155 PolarHBondContact O-N 3.46Å; D152-K155 VanDerWaalsContact O-N 3.14Å; M153-K155 VanDerWaalsContact C-N 3.27Å; M153-K155 PolarHBondContact O-N 2.88Å; K155-S157 PolarHBondContact O-N 2.94Å
156	F	50.6	Low	54.1	Low	150 Å²	150	118.9 Å²	118.9	66%	0.658	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.3	112.4	179.6	-60.4	-95.9	0	0	0	109.2	K151	K151-F156 HydrophobicContact CD-CD1 4.14Å; K151-F156 HydrophobicContact CD-CE1 3.59Å; K151-F156 HydrophobicContact CD-CZ 4.31Å; K151-F156 HydrophobicContact CG-CD1 3.96Å; K151-F156 HydrophobicContact CG-CE1 3.95Å
157	S	49.4	Very low	54.4	Low	65 Å²	65	117.5 Å²	117.5	46%	0.455	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	127.2	163.8	55.7	0	0	0	0	108.4	K155	K155-S157 PolarHBondContact O-N 2.94Å
158	S	50.3	Low	54.5	Low	88 Å²	88	118.9 Å²	118.9	62%	0.615	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.3	119.5	169.6	53.9	0	0	0	0	107.7
159	V	53.1	Low	54.6	Low	89 Å²	89	117.8 Å²	117.8	54%	0.539	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	116	172.1	179.9	0	0	0	0	107.1	V161	V159-V161 HydrophobicContact CG1-CG2 4.19Å
160	T	53.7	Low	55	Low	97 Å²	97	115.2 Å²	115.2	60%	0.595	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	116.2	173.7	52.3	0	0	0	0	107.8	T147	T147-T160 HydrophobicContact CG2-CG2 4.06Å
161	V	50.1	Low	55.1	Low	115 Å²	115	116 Å²	116	70%	0.697	63%	0.626	S	S	*	*			trans	-101.4	110.3	172.9	-178.2	0	0	0	0	107.2	V159	V159-V161 HydrophobicContact CG1-CG2 4.19Å
162	S	51.1	Low	55.7	Low	83 Å²	83	113.3 Å²	113.3	58%	0.58	62%	0.616	S	S	*	*			trans	-96.4	139.9	171	-49.2	0	0	0	0	108.3	V164	S162-V164 WeakPolarHBondContact O-CG2 3.31Å; S162-V164 PolarHBondContact O-N 2.97Å
163	T	57.7	Low	56.8	Low	130 Å²	130	110.3 Å²	110.3	80%	0.798	61%	0.609	S	S	*	*			trans	-71.5	117	168.8	45.9	0	0	0	0	109.1	D165	T163-D165 VanDerWaalsContact C-N 3.27Å; T163-D165 PolarHBondContact O-N 2.68Å
164	V	56.8	Low	58.1	Low	84 Å²	84	110.3 Å²	110.3	51%	0.509	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.8	43.8	-170.5	-171	0	0	0	0	111.1	S162 E167	S162-V164 WeakPolarHBondContact O-CG2 3.31Å; S162-V164 PolarHBondContact O-N 2.97Å; V164-E167 HydrophobicContact CG1-CB 4.18Å
165	D	53.3	Low	58.9	Low	124 Å²	124	113 Å²	113	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-95	-17.6	-179.8	-65.8	-18.6	0	0	0	112.4	T163	T163-D165 VanDerWaalsContact C-N 3.27Å; T163-D165 PolarHBondContact O-N 2.68Å
166	E	49.2	Very low	59.9	Low	87 Å²	87	108.9 Å²	108.9	41%	0.407	58%	0.578	S	S	.	*	H	α-helix	trans	-93.5	-23.5	175.9	-79.7	179.1	172.6	0	0	113.5	K141 R143 E170	K141-E166 IonicContact NZ-OE1 3.64Å; K141-E166 PolarHBondContact NZ-OE1 3.05Å; R143-E166 IonicContact CZ-OE2 3.15Å; R143-E166 IonicContact NH2-OE2 2.85Å; R143-E166 PolarHBondContact NH2-OE2 3.03Å; E166-E170 PolarHBondContact O-N 3.21Å
167	E	54.5	Low	61.6	Low	125 Å²	125	104.4 Å²	104.4	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-77	-31.1	177.9	-153.7	170.6	-166.6	0	0	111	V164 I171	V164-E167 HydrophobicContact CG1-CB 4.18Å; E167-I171 HydrophobicContact CG-CD1 4.09Å; E167-I171 WeakPolarHBondContact O-CB 3.31Å; E167-I171 VanDerWaalsContact O-CD1 3.24Å; E167-I171 WeakPolarHBondContact O-CD1 3.45Å; E167-I171 WeakPolarHBondContact O-CG1 3.46Å; E167-I171 PolarHBondContact O-N 2.9Å
168	E	56	Low	63.6	Low	117 Å²	117	105.7 Å²	105.7	55%	0.547	57%	0.57	S	S	.	*	H	α-helix	trans	-69.4	-44.7	179.6	-156	169.4	-157.1	0	0	111.8	E170 I171 E172	E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 3.26Å; E168-I171 PolarHBondContact O-N 2.77Å; E168-E172 WeakPolarHBondContact O-CB 3.38Å; E168-E172 WeakPolarHBondContact O-CG 3.25Å; E168-E172 PolarHBondContact O-N 3.4Å
169	E	59.8	Low	65.4	Low	138 Å²	138	104.4 Å²	104.4	65%	0.645	56%	0.561	S	S	*	*	H	α-helix	trans	-68.6	-32.3	177.6	-167.2	172	-158.8	0	0	112.3	A173	E169-A173 WeakPolarHBondContact O-CB 3.16Å; E169-A173 PolarHBondContact O-N 2.88Å
170	E	65.4	Low	67.1	Low	147 Å²	147	108.1 Å²	108.1	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-72	-37.4	174.7	-168.7	172.9	-178.8	0	0	112	E166 E168 R174	E166-E170 PolarHBondContact O-N 3.21Å; E168-E170 VanDerWaalsContact C-N 3.34Å; E168-E170 PolarHBondContact O-N 3.26Å; E170-R174 WeakPolarHBondContact O-CB 3.39Å; E170-R174 PolarHBondContact O-N 3.45Å; E170-R174 VanDerWaalsContact O-N 3.1Å
171	I	62.9	Low	68.9	Low	85 Å²	85	105.6 Å²	105.6	44%	0.436	56%	0.556	S	S	.	*	H	α-helix	trans	-67.1	-44.2	173.2	-67.6	162.3	0	0	0	110.3	E167 E168 A173 R174 E175	E167-I171 HydrophobicContact CG-CD1 4.09Å; E167-I171 WeakPolarHBondContact O-CB 3.31Å; E167-I171 VanDerWaalsContact O-CD1 3.24Å; E167-I171 WeakPolarHBondContact O-CD1 3.45Å; E167-I171 WeakPolarHBondContact O-CG1 3.46Å; E167-I171 PolarHBondContact O-N 2.9Å; E168-I171 PolarHBondContact O-N 2.77Å; I171-A173 PolarHBondContact O-N 3.26Å; I171-R174 WeakPolarHBondContact O-CB 3.39Å; I171-R174 PolarHBondContact O-N 2.76Å; I171-E175 HydrophobicContact CG2-CG 4.3Å; I171-E175 WeakPolarHBondContact O-CG 3.48Å; I171-E175 PolarHBondContact O-N 3.06Å
172	E	69.8	Low	70.8	Confident	102 Å²	102	106.3 Å²	106.3	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-60.3	-46.1	176.4	-77.2	-177.7	-176.8	0	0	111.7	E168 R174 E175 I176	E168-E172 WeakPolarHBondContact O-CB 3.38Å; E168-E172 WeakPolarHBondContact O-CG 3.25Å; E168-E172 PolarHBondContact O-N 3.4Å; E172-R174 VanDerWaalsContact C-N 3.25Å; E172-R174 PolarHBondContact O-N 3.49Å; E172-E175 PolarHBondContact O-N 3.02Å; E172-I176 WeakPolarHBondContact O-CB 3.14Å; E172-I176 WeakPolarHBondContact O-CD1 3.46Å; E172-I176 WeakPolarHBondContact O-CG1 3.36Å; E172-I176 PolarHBondContact O-N 3.21Å
173	A	76.7	Confident	72.3	Confident	60 Å²	60	106.4 Å²	106.4	50%	0.496	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-37.5	177.4	0	0	0	0	0	111.9	E169 I171 A177	E169-A173 WeakPolarHBondContact O-CB 3.16Å; E169-A173 PolarHBondContact O-N 2.88Å; I171-A173 PolarHBondContact O-N 3.26Å; A173-A177 WeakPolarHBondContact O-CB 3.4Å; A173-A177 PolarHBondContact O-N 3.32Å
174	R	78.2	Confident	73.7	Confident	183 Å²	183	102.9 Å²	102.9	69%	0.691	53%	0.53	S	S	*	.	H	α-helix	trans	-68.1	-44.3	176.3	-172.2	173.2	-176.9	150.5	0.8	112.1	E170 I171 E172 I176 A177 D178	E170-R174 WeakPolarHBondContact O-CB 3.39Å; E170-R174 PolarHBondContact O-N 3.45Å; E170-R174 VanDerWaalsContact O-N 3.1Å; I171-R174 WeakPolarHBondContact O-CB 3.39Å; I171-R174 PolarHBondContact O-N 2.76Å; E172-R174 VanDerWaalsContact C-N 3.25Å; E172-R174 PolarHBondContact O-N 3.49Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.39Å; R174-A177 PolarHBondContact O-N 3.39Å; R174-D178 PolarHBondContact O-N 2.86Å
175	E	79.6	Confident	75.2	Confident	126 Å²	126	105.2 Å²	105.2	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-63.6	-40.1	176.2	-72.9	-178.7	176.1	0	0	112	I171 E172 D178 S179	I171-E175 HydrophobicContact CG2-CG 4.3Å; I171-E175 WeakPolarHBondContact O-CG 3.48Å; I171-E175 PolarHBondContact O-N 3.06Å; E172-E175 PolarHBondContact O-N 3.02Å; E175-D178 PolarHBondContact O-N 2.87Å; E175-S179 WeakPolarHBondContact O-CB 3.41Å; E175-S179 PolarHBondContact O-N 3.36Å
176	I	80.6	Confident	76.8	Confident	91 Å²	91	103.4 Å²	103.4	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-46.7	174.8	-70.1	165.9	0	0	0	110.1	E172 R174 D178 S179 Y180	E172-I176 WeakPolarHBondContact O-CB 3.14Å; E172-I176 WeakPolarHBondContact O-CD1 3.46Å; E172-I176 WeakPolarHBondContact O-CG1 3.36Å; E172-I176 PolarHBondContact O-N 3.21Å; R174-I176 VanDerWaalsContact C-N 3.34Å; R174-I176 PolarHBondContact O-N 3.39Å; I176-D178 PolarHBondContact O-N 3.43Å; I176-S179 WeakPolarHBondContact O-CB 3.13Å; I176-S179 PolarHBondContact O-N 3.25Å; I176-Y180 HydrophobicContact CG2-CD2 3.57Å; I176-Y180 HydrophobicContact CG2-CE2 3.36Å; I176-Y180 WeakPolarHBondContact O-CD2 3.35Å; I176-Y180 PolarHBondContact O-N 3.32Å
177	A	86.1	Confident	78.4	Confident	56 Å²	56	104.2 Å²	104.2	46%	0.463	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-43.1	178.1	0	0	0	0	0	112.4	A173 R174 S179 Y180 A181	A173-A177 WeakPolarHBondContact O-CB 3.4Å; A173-A177 PolarHBondContact O-N 3.32Å; R174-A177 PolarHBondContact O-N 3.39Å; A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 2.86Å; A177-Y180 PolarHBondContact O-N 2.86Å; A177-A181 WeakPolarHBondContact O-CB 3.38Å; A177-A181 PolarHBondContact O-N 3.49Å
178	D	90.1	Very high	79.5	Confident	92 Å²	92	102.5 Å²	102.5	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-37.5	177.3	-77.1	-23.3	0	0	0	111.7	R174 E175 I176 A181 Q182	R174-D178 PolarHBondContact O-N 2.86Å; E175-D178 PolarHBondContact O-N 2.87Å; I176-D178 PolarHBondContact O-N 3.43Å; D178-A181 PolarHBondContact O-N 2.93Å; D178-Q182 WeakPolarHBondContact O-CB 3.29Å; D178-Q182 VanDerWaalsContact O-CG 3.29Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 3.19Å
179	S	89.1	Confident	80.9	Confident	61 Å²	61	103.2 Å²	103.2	43%	0.427	53%	0.525	S	S	.	.	H	α-helix	trans	-63.1	-45.7	173.2	-177.8	0	0	0	0	112.1	E175 I176 A177 A181 Q182 N183	E175-S179 WeakPolarHBondContact O-CB 3.41Å; E175-S179 PolarHBondContact O-N 3.36Å; I176-S179 WeakPolarHBondContact O-CB 3.13Å; I176-S179 PolarHBondContact O-N 3.25Å; A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 2.86Å; S179-A181 PolarHBondContact O-N 3.47Å; S179-Q182 PolarHBondContact O-N 3.3Å; S179-N183 WeakPolarHBondContact O-CB 3.37Å; S179-N183 VanDerWaalsContact O-CG 3.31Å; S179-N183 PolarHBondContact O-N 3.44Å; S179-N183 PolarHBondContact O-ND2 3.2Å
180	Y	89.2	Confident	81.8	Confident	168 Å²	168	101.1 Å²	101.1	66%	0.659	52%	0.516	S	S	*	.	H	α-helix	trans	-63.4	-40.3	174.8	-80.8	-67.6	0	0	0	112.3	I176 A177 Q182 N183 A184	I176-Y180 HydrophobicContact CG2-CD2 3.57Å; I176-Y180 HydrophobicContact CG2-CE2 3.36Å; I176-Y180 WeakPolarHBondContact O-CD2 3.35Å; I176-Y180 PolarHBondContact O-N 3.32Å; A177-Y180 PolarHBondContact O-N 2.86Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-Q182 PolarHBondContact O-N 2.99Å; Y180-N183 PolarHBondContact O-N 3.01Å; Y180-A184 WeakPolarHBondContact O-CB 3.45Å; Y180-A184 PolarHBondContact O-N 3.4Å
181	A	90.2	Very high	82.2	Confident	44 Å²	44	96.7 Å²	96.7	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-36.7	177.2	0	0	0	0	0	112.4	A177 D178 S179 K185	A177-A181 WeakPolarHBondContact O-CB 3.38Å; A177-A181 PolarHBondContact O-N 3.49Å; D178-A181 PolarHBondContact O-N 2.93Å; S179-A181 PolarHBondContact O-N 3.47Å; A181-K185 WeakPolarHBondContact O-CG 3.47Å; A181-K185 PolarHBondContact O-N 3.08Å
182	Q	90.9	Very high	82.7	Confident	129 Å²	129	98 Å²	98	60%	0.603	50%	0.501	S	S	*	.	H	α-helix	trans	-69.6	-44.2	174.9	-73.5	177.6	17.1	0	0	111.8	D178 S179 Y180 A184 K185 V186	D178-Q182 WeakPolarHBondContact O-CB 3.29Å; D178-Q182 VanDerWaalsContact O-CG 3.29Å; D178-Q182 WeakPolarHBondContact O-CG 3.34Å; D178-Q182 PolarHBondContact O-N 3.19Å; S179-Q182 PolarHBondContact O-N 3.3Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-Q182 PolarHBondContact O-N 2.99Å; Q182-A184 VanDerWaalsContact C-N 3.31Å; Q182-A184 PolarHBondContact O-N 3.45Å; Q182-K185 PolarHBondContact O-N 3.43Å; Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 2.9Å; Q182-V186 VanDerWaalsContact O-N 3.08Å
183	N	82.4	Confident	83	Confident	85 Å²	85	102.8 Å²	102.8	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-40.7	176.3	-72.7	-30.2	0	0	0	111.8	S179 Y180 K185 V186 I187	S179-N183 WeakPolarHBondContact O-CB 3.37Å; S179-N183 VanDerWaalsContact O-CG 3.31Å; S179-N183 PolarHBondContact O-N 3.44Å; S179-N183 PolarHBondContact O-ND2 3.2Å; Y180-N183 PolarHBondContact O-N 3.01Å; N183-K185 PolarHBondContact O-N 3.24Å; N183-V186 PolarHBondContact O-N 3.38Å; N183-I187 WeakPolarHBondContact O-CD1 3.36Å; N183-I187 VanDerWaalsContact O-CG1 3.27Å; N183-I187 WeakPolarHBondContact O-CG1 3.13Å; N183-I187 PolarHBondContact O-N 2.96Å
184	A	87.3	Confident	83.1	Confident	56 Å²	56	107.4 Å²	107.4	46%	0.463	52%	0.523	S	S	.	.	H	α-helix	trans	-59.5	-43.8	175.2	0	0	0	0	0	112.6	Y180 Q182 V186 I187 E188	Y180-A184 WeakPolarHBondContact O-CB 3.45Å; Y180-A184 PolarHBondContact O-N 3.4Å; Q182-A184 VanDerWaalsContact C-N 3.31Å; Q182-A184 PolarHBondContact O-N 3.45Å; A184-V186 VanDerWaalsContact C-N 3.34Å; A184-V186 PolarHBondContact O-N 3.31Å; A184-I187 PolarHBondContact O-N 2.95Å; A184-E188 PolarHBondContact O-N 3.47Å
185	K	87.2	Confident	82.5	Confident	134 Å²	134	101.7 Å²	101.7	58%	0.583	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-35.9	177.3	-73.1	173.5	-178	172.3	0	112.7	A181 Q182 N183 K189	A181-K185 WeakPolarHBondContact O-CG 3.47Å; A181-K185 PolarHBondContact O-N 3.08Å; Q182-K185 PolarHBondContact O-N 3.43Å; N183-K185 PolarHBondContact O-N 3.24Å; K185-K189 PolarHBondContact O-N 2.94Å; K185-K189 VanDerWaalsContact O-N 3.15Å
186	V	88.3	Confident	81.6	Confident	86 Å²	86	98.5 Å²	98.5	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-41.8	176.6	173.6	0	0	0	0	110.5	Q182 N183 A184 K189 Q190	Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 2.9Å; Q182-V186 VanDerWaalsContact O-N 3.08Å; N183-V186 PolarHBondContact O-N 3.38Å; A184-V186 VanDerWaalsContact C-N 3.34Å; A184-V186 PolarHBondContact O-N 3.31Å; V186-K189 PolarHBondContact O-N 3.48Å; V186-Q190 WeakPolarHBondContact O-CG 3.34Å; V186-Q190 PolarHBondContact O-N 3.28Å
187	I	82.7	Confident	80.8	Confident	104 Å²	104	97.1 Å²	97.1	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-43.4	177.1	-65.6	164.1	0	0	0	110.8	N183 A184 K189 Q190 L191	N183-I187 WeakPolarHBondContact O-CD1 3.36Å; N183-I187 VanDerWaalsContact O-CG1 3.27Å; N183-I187 WeakPolarHBondContact O-CG1 3.13Å; N183-I187 PolarHBondContact O-N 2.96Å; A184-I187 PolarHBondContact O-N 2.95Å; I187-K189 PolarHBondContact O-N 3.5Å; I187-Q190 PolarHBondContact O-N 3.38Å; I187-L191 HydrophobicContact CG2-CD1 3.93Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.42Å; I187-L191 PolarHBondContact O-N 2.97Å
188	E	78.2	Confident	79.6	Confident	89 Å²	89	101.1 Å²	101.1	42%	0.416	51%	0.513	S	S	.	.	H	α-helix	trans	-58.7	-47.4	176.7	-169.8	177.3	-161.1	0	0	111.3	A184 Q190 L191 E192 K198	A184-E188 PolarHBondContact O-N 3.47Å; E188-Q190 VanDerWaalsContact C-N 3.33Å; E188-Q190 PolarHBondContact O-N 3.48Å; E188-L191 WeakPolarHBondContact O-CB 3.35Å; E188-L191 PolarHBondContact O-N 2.91Å; E188-E192 WeakPolarHBondContact O-CG 3.46Å; E188-E192 PolarHBondContact O-N 3.29Å; E188-K198 IonicContact OE1-NZ 2.73Å; E188-K198 PolarHBondContact OE1-NZ 3.34Å
189	K	85.1	Confident	78.3	Confident	131 Å²	131	105 Å²	105	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-35.1	176.9	-76.1	-179.5	178.3	178.2	0	113.4	K185 V186 I187 R193	K185-K189 PolarHBondContact O-N 2.94Å; K185-K189 VanDerWaalsContact O-N 3.15Å; V186-K189 PolarHBondContact O-N 3.48Å; I187-K189 PolarHBondContact O-N 3.5Å; K189-R193 WeakPolarHBondContact O-CB 3.44Å; K189-R193 VanDerWaalsContact O-CG 3.26Å; K189-R193 WeakPolarHBondContact O-CG 3.33Å; K189-R193 PolarHBondContact O-N 2.99Å
190	Q	77.4	Confident	77	Confident	95 Å²	95	109.4 Å²	109.4	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-67.8	-38.2	175	-78.2	-82.9	-8.3	0	0	111.6	V186 I187 E188 R193 K194	V186-Q190 WeakPolarHBondContact O-CG 3.34Å; V186-Q190 PolarHBondContact O-N 3.28Å; I187-Q190 PolarHBondContact O-N 3.38Å; E188-Q190 VanDerWaalsContact C-N 3.33Å; E188-Q190 PolarHBondContact O-N 3.48Å; Q190-R193 PolarHBondContact O-N 3.1Å; Q190-K194 WeakPolarHBondContact O-CB 3.4Å; Q190-K194 WeakPolarHBondContact O-CG 3.24Å; Q190-K194 PolarHBondContact O-N 3.32Å
191	L	74.5	Confident	75.7	Confident	53 Å²	53	105.3 Å²	105.3	28%	0.277	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-41.7	175.9	-73.5	165.2	0	0	0	111.8	I187 E188 K194 G195 M196 L201	I187-L191 HydrophobicContact CG2-CD1 3.93Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.42Å; I187-L191 PolarHBondContact O-N 2.97Å; E188-L191 WeakPolarHBondContact O-CB 3.35Å; E188-L191 PolarHBondContact O-N 2.91Å; L191-K194 PolarHBondContact O-N 3.02Å; L191-G195 PolarHBondContact O-N 3.05Å; L191-M196 HydrophobicContact CD2-CB 4.41Å; L191-M196 PolarHBondContact O-N 2.95Å; L191-L201 HydrophobicContact CD1-CD1 4.4Å; L191-L201 HydrophobicContact CD1-CD2 4.35Å; L191-L201 HydrophobicContact CD2-CD1 4.44Å
192	E	73.2	Confident	74.6	Confident	114 Å²	114	109.1 Å²	109.1	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-43.9	174.6	-71.7	178.4	164.3	0	0	111.8	E188 K194 G195	E188-E192 WeakPolarHBondContact O-CG 3.46Å; E188-E192 PolarHBondContact O-N 3.29Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 3.38Å; E192-G195 PolarHBondContact O-N 3.17Å; E192-G195 VanDerWaalsContact O-N 3.08Å
193	R	75.9	Confident	73.5	Confident	201 Å²	201	108.8 Å²	108.8	76%	0.758	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-32.7	176.4	-74.5	174.9	-177.7	-169.5	0.1	113.4	K189 Q190 G195	K189-R193 WeakPolarHBondContact O-CB 3.44Å; K189-R193 VanDerWaalsContact O-CG 3.26Å; K189-R193 WeakPolarHBondContact O-CG 3.33Å; K189-R193 PolarHBondContact O-N 2.99Å; Q190-R193 PolarHBondContact O-N 3.1Å; R193-G195 PolarHBondContact O-N 3.44Å
194	K	78.4	Confident	72.7	Confident	158 Å²	158	109.1 Å²	109.1	69%	0.687	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	4.2	174.3	-72	179.5	180	-179	0	113	Q190 L191 E192 M196	Q190-K194 WeakPolarHBondContact O-CB 3.4Å; Q190-K194 WeakPolarHBondContact O-CG 3.24Å; Q190-K194 PolarHBondContact O-N 3.32Å; L191-K194 PolarHBondContact O-N 3.02Å; E192-K194 VanDerWaalsContact C-N 3.33Å; E192-K194 PolarHBondContact O-N 3.38Å; K194-M196 PolarHBondContact O-N 3.49Å
195	G	65.3	Low	72	Confident	63 Å²	63	109 Å²	109	65%	0.649	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	17.4	174.8	0	0	0	0	0	114.2	L191 E192 R193 S197	L191-G195 PolarHBondContact O-N 3.05Å; E192-G195 PolarHBondContact O-N 3.17Å; E192-G195 VanDerWaalsContact O-N 3.08Å; R193-G195 PolarHBondContact O-N 3.44Å; G195-S197 PolarHBondContact O-N 3.38Å; G195-S197 VanDerWaalsContact O-N 3.11Å
196	M	61.4	Low	71.2	Confident	58 Å²	58	107 Å²	107	29%	0.286	52%	0.523	S	S	.	.			trans	-74.6	103.5	174.1	-72.8	-64.6	-71.9	0	0	108.2	L191 K194 R200 L204	L191-M196 HydrophobicContact CD2-CB 4.41Å; L191-M196 PolarHBondContact O-N 2.95Å; K194-M196 PolarHBondContact O-N 3.49Å; M196-R200 HydrophobicContact CE-CB 4.3Å; M196-R200 HydrophobicContact CE-CG 4.23Å; M196-L204 HydrophobicContact CE-CD1 3.99Å
197	S	63	Low	70.1	Confident	62 Å²	62	107.4 Å²	107.4	43%	0.434	52%	0.522	S	S	.	.			trans	-61.9	142.9	178.4	70.6	0	0	0	0	110.3	G195 K199 R200 L201	G195-S197 PolarHBondContact O-N 3.38Å; G195-S197 VanDerWaalsContact O-N 3.11Å; S197-K199 PolarHBondContact O-N 3.21Å; S197-R200 PolarHBondContact O-N 3.03Å; S197-R200 PolarHBondContact OG-N 3.45Å; S197-L201 PolarHBondContact O-N 2.93Å
198	K	62.4	Low	69.3	Low	141 Å²	141	109.2 Å²	109.2	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-50.7	-31.2	175.5	-75	-171.7	172.7	-171.3	0	112.3	E188 L201 Q202	E188-K198 IonicContact OE1-NZ 2.73Å; E188-K198 PolarHBondContact OE1-NZ 3.34Å; K198-L201 PolarHBondContact O-N 3.3Å; K198-Q202 WeakPolarHBondContact O-CB 3.08Å; K198-Q202 PolarHBondContact O-N 3.47Å
199	K	62.1	Low	68.6	Low	173 Å²	173	106.9 Å²	106.9	75%	0.752	52%	0.524	S	S	*	.	H	α-helix	trans	-61.3	-46.6	173.3	-70.2	-174.6	177	-177.9	0	112.8	S197 L201 Q202 E203	S197-K199 PolarHBondContact O-N 3.21Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 3.45Å; K199-Q202 PolarHBondContact O-N 2.96Å; K199-E203 WeakPolarHBondContact O-CB 3.34Å; K199-E203 PolarHBondContact O-N 3.17Å
200	R	62.2	Low	67.6	Low	154 Å²	154	106 Å²	106	58%	0.581	52%	0.52	S	S	*	.	H	α-helix	trans	-69.9	-30.3	-178.1	-148.3	176.2	-165.6	-177.8	4.2	112.5	M196 S197 L204	M196-R200 HydrophobicContact CE-CB 4.3Å; M196-R200 HydrophobicContact CE-CG 4.23Å; S197-R200 PolarHBondContact O-N 3.03Å; S197-R200 PolarHBondContact OG-N 3.45Å; R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 WeakPolarHBondContact O-CG 3.5Å; R200-L204 PolarHBondContact O-N 3.15Å
201	L	62.2	Low	66.7	Low	82 Å²	82	106 Å²	106	43%	0.429	53%	0.527	S	S	.	.	H	α-helix	trans	-72.1	-42	174.9	-161	77.3	0	0	0	111.6	L191 S197 K198 K199 E203 L204 A205	L191-L201 HydrophobicContact CD1-CD1 4.4Å; L191-L201 HydrophobicContact CD1-CD2 4.35Å; L191-L201 HydrophobicContact CD2-CD1 4.44Å; S197-L201 PolarHBondContact O-N 2.93Å; K198-L201 PolarHBondContact O-N 3.3Å; K199-L201 VanDerWaalsContact C-N 3.32Å; K199-L201 PolarHBondContact O-N 3.45Å; L201-E203 VanDerWaalsContact C-N 3.33Å; L201-L204 PolarHBondContact O-N 3.29Å; L201-A205 WeakPolarHBondContact O-CB 3.27Å; L201-A205 PolarHBondContact O-N 2.96Å
202	Q	65.6	Low	65.8	Low	124 Å²	124	108.8 Å²	108.8	58%	0.579	55%	0.546	S	S	*	.	H	α-helix	trans	-65.1	-39.1	175	-166.8	168.4	4.9	0	0	111.3	K198 K199 A205 E206	K198-Q202 WeakPolarHBondContact O-CB 3.08Å; K198-Q202 PolarHBondContact O-N 3.47Å; K199-Q202 PolarHBondContact O-N 2.96Å; Q202-A205 PolarHBondContact O-N 2.81Å; Q202-E206 WeakPolarHBondContact O-CB 3.29Å; Q202-E206 VanDerWaalsContact O-CG 3.29Å; Q202-E206 WeakPolarHBondContact O-CG 3.41Å; Q202-E206 PolarHBondContact O-N 2.87Å
203	E	68.2	Low	65.1	Low	121 Å²	121	111.6 Å²	111.6	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-64.6	-42.1	175.2	-143.2	170.6	-165.9	0	0	112	K199 L201 E206 L207	K199-E203 WeakPolarHBondContact O-CB 3.34Å; K199-E203 PolarHBondContact O-N 3.17Å; L201-E203 VanDerWaalsContact C-N 3.33Å; E203-E206 PolarHBondContact O-N 3.12Å; E203-L207 WeakPolarHBondContact O-CB 3.36Å; E203-L207 WeakPolarHBondContact O-CD1 3.26Å; E203-L207 WeakPolarHBondContact O-CG 3.46Å; E203-L207 PolarHBondContact O-N 3.48Å
204	L	66.6	Low	64	Low	92 Å²	92	109.5 Å²	109.5	48%	0.482	56%	0.558	S	S	.	*	H	α-helix	trans	-66.2	-43.5	174.9	-80.1	164.6	0	0	0	112.3	M196 R200 L201 E206 L207 E208	M196-L204 HydrophobicContact CE-CD1 3.99Å; R200-L204 WeakPolarHBondContact O-CB 3.42Å; R200-L204 WeakPolarHBondContact O-CG 3.5Å; R200-L204 PolarHBondContact O-N 3.15Å; L201-L204 PolarHBondContact O-N 3.29Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.08Å; L204-L207 PolarHBondContact O-N 3.3Å; L204-E208 WeakPolarHBondContact O-CB 3.37Å; L204-E208 PolarHBondContact O-N 2.85Å
205	A	71.5	Confident	62.8	Low	55 Å²	55	111.4 Å²	111.4	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-37.8	176.4	0	0	0	0	0	112	L201 Q202 E208 A209	L201-A205 WeakPolarHBondContact O-CB 3.27Å; L201-A205 PolarHBondContact O-N 2.96Å; Q202-A205 PolarHBondContact O-N 2.81Å; A205-E208 PolarHBondContact O-N 2.73Å; A205-A209 VanDerWaalsContact O-CB 3.25Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.11Å
206	E	70.8	Confident	62.2	Low	90 Å²	90	111.8 Å²	111.8	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-68	-36.7	173.5	-78.6	-179.1	-161.6	0	0	112.5	Q202 E203 L204 K210	Q202-E206 WeakPolarHBondContact O-CB 3.29Å; Q202-E206 VanDerWaalsContact O-CG 3.29Å; Q202-E206 WeakPolarHBondContact O-CG 3.41Å; Q202-E206 PolarHBondContact O-N 2.87Å; E203-E206 PolarHBondContact O-N 3.12Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 3.08Å; E206-K210 VanDerWaalsContact O-CB 3.31Å; E206-K210 WeakPolarHBondContact O-CB 3.44Å; E206-K210 WeakPolarHBondContact O-CD 3.39Å; E206-K210 WeakPolarHBondContact O-CG 3.49Å; E206-K210 PolarHBondContact O-N 3.19Å; E206-K210 IonicContact OE2-NZ 2.7Å
207	L	64.9	Low	62.2	Low	96 Å²	96	114.3 Å²	114.3	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-66.3	-43.2	173.8	-73.9	166.2	0	0	0	110.8	E203 L204 K210 T211	E203-L207 WeakPolarHBondContact O-CB 3.36Å; E203-L207 WeakPolarHBondContact O-CD1 3.26Å; E203-L207 WeakPolarHBondContact O-CG 3.46Å; E203-L207 PolarHBondContact O-N 3.48Å; L204-L207 PolarHBondContact O-N 3.3Å; L207-K210 PolarHBondContact O-N 3.1Å; L207-K210 VanDerWaalsContact O-N 3.15Å; L207-T211 WeakPolarHBondContact O-CG2 3.48Å; L207-T211 PolarHBondContact O-N 3.22Å; L207-T211 PolarHBondContact O-OG1 3.04Å
208	E	65.9	Low	61.7	Low	141 Å²	141	119.9 Å²	119.9	66%	0.659	61%	0.613	S	S	*	*	H	α-helix	trans	-64.2	-42.4	176.2	-138.8	172.1	-163.6	0	0	111.6	L204 A205 K210 T211 T212	L204-E208 WeakPolarHBondContact O-CB 3.37Å; L204-E208 PolarHBondContact O-N 2.85Å; A205-E208 PolarHBondContact O-N 2.73Å; E208-K210 VanDerWaalsContact C-N 3.29Å; E208-K210 PolarHBondContact O-N 2.75Å; E208-T211 PolarHBondContact O-N 2.99Å; E208-T211 PolarHBondContact O-OG1 3.01Å; E208-T212 PolarHBondContact O-N 3.29Å; E208-T212 VanDerWaalsContact O-N 3.1Å; E208-T212 PolarHBondContact O-OG1 3.14Å
209	A	64.5	Low	61.5	Low	40 Å²	40	118.8 Å²	118.8	33%	0.331	61%	0.613	S	S	.	*	H	α-helix	trans	-66.1	-26.5	173	0	0	0	0	0	113.5	A205 T212 K213	A205-A209 VanDerWaalsContact O-CB 3.25Å; A205-A209 WeakPolarHBondContact O-CB 3.49Å; A205-A209 PolarHBondContact O-N 3.11Å; A209-T212 VanDerWaalsContact CA-OG1 3.31Å; A209-T212 WeakPolarHBondContact CA-OG1 3.42Å; A209-T212 PolarHBondContact O-OG1 3.22Å; A209-T212 VanDerWaalsContact O-OG1 3.09Å; A209-K213 WeakPolarHBondContact O-CD 3.46Å; A209-K213 VanDerWaalsContact O-CG 3.23Å; A209-K213 WeakPolarHBondContact O-CG 3.49Å; A209-K213 PolarHBondContact O-N 3.14Å
210	K	63.4	Low	61.1	Low	112 Å²	112	117.6 Å²	117.6	49%	0.487	61%	0.614	S	S	.	*	H	α-helix	trans	-80.2	-38.8	173.9	-76.6	165.6	-174	165.8	0	111.8	E206 L207 E208 T212 K213 M214	E206-K210 VanDerWaalsContact O-CB 3.31Å; E206-K210 WeakPolarHBondContact O-CB 3.44Å; E206-K210 WeakPolarHBondContact O-CD 3.39Å; E206-K210 WeakPolarHBondContact O-CG 3.49Å; E206-K210 PolarHBondContact O-N 3.19Å; E206-K210 IonicContact OE2-NZ 2.7Å; L207-K210 PolarHBondContact O-N 3.1Å; L207-K210 VanDerWaalsContact O-N 3.15Å; E208-K210 VanDerWaalsContact C-N 3.29Å; E208-K210 PolarHBondContact O-N 2.75Å; K210-T212 VanDerWaalsContact C-N 3.3Å; K210-T212 PolarHBondContact O-N 3.07Å; K210-K213 PolarHBondContact O-N 3.22Å; K210-K213 VanDerWaalsContact O-N 3.15Å; K210-M214 PolarHBondContact O-N 3.42Å; K210-M214 VanDerWaalsContact O-N 3.12Å
211	T	58.7	Low	60.9	Low	96 Å²	96	118 Å²	118	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-65.9	-32.6	175.8	61	0	0	0	0	112.9	L207 E208 K213	L207-T211 WeakPolarHBondContact O-CG2 3.48Å; L207-T211 PolarHBondContact O-N 3.22Å; L207-T211 PolarHBondContact O-OG1 3.04Å; E208-T211 PolarHBondContact O-N 2.99Å; E208-T211 PolarHBondContact O-OG1 3.01Å; T211-K213 VanDerWaalsContact C-N 3.34Å
212	T	56.6	Low	60.5	Low	111 Å²	111	122 Å²	122	68%	0.681	64%	0.644	S	S	*	*	H	α-helix	trans	-73.4	-24.5	173.6	42	0	0	0	0	113.1	E208 A209 K210	E208-T212 PolarHBondContact O-N 3.29Å; E208-T212 VanDerWaalsContact O-N 3.1Å; E208-T212 PolarHBondContact O-OG1 3.14Å; A209-T212 VanDerWaalsContact CA-OG1 3.31Å; A209-T212 WeakPolarHBondContact CA-OG1 3.42Å; A209-T212 PolarHBondContact O-OG1 3.22Å; A209-T212 VanDerWaalsContact O-OG1 3.09Å; K210-T212 VanDerWaalsContact C-N 3.3Å; K210-T212 PolarHBondContact O-N 3.07Å
213	K	57.8	Low	59.6	Low	173 Å²	173	125.4 Å²	125.4	75%	0.752	66%	0.658	S	S	*	*	H	α-helix	trans	-86	-17	175.7	-72.9	175.2	-175.3	-179	0	114.2	A209 K210 T211 K215	A209-K213 WeakPolarHBondContact O-CD 3.46Å; A209-K213 VanDerWaalsContact O-CG 3.23Å; A209-K213 WeakPolarHBondContact O-CG 3.49Å; A209-K213 PolarHBondContact O-N 3.14Å; K210-K213 PolarHBondContact O-N 3.22Å; K210-K213 VanDerWaalsContact O-N 3.15Å; T211-K213 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 3.2Å
214	M	52	Low	58.5	Low	157 Å²	157	133.1 Å²	133.1	77%	0.773	69%	0.689	S	S	*	*			trans	-99.4	64.3	-179.4	-68.9	-178.4	70.9	0	0	112.3	K210	K210-M214 PolarHBondContact O-N 3.42Å; K210-M214 VanDerWaalsContact O-N 3.12Å
215	K	53.6	Low	58.1	Low	198 Å²	198	135.2 Å²	135.2	86%	0.861	70%	0.7	S	S	*	*			trans	-130.4	68.5	155.1	-77.1	-173.1	177.8	177.6	0	108.7	K213	K213-K215 PolarHBondContact O-N 3.2Å
216	G	53.2	Low	57.4	Low	72 Å²	72	139.4 Å²	139.4	74%	0.742	71%	0.713	S	S	*	*			trans	-74.7	136.6	166.6	0	0	0	0	0	110
217	T	60.7	Low	56.7	Low	111 Å²	111	142.1 Å²	142.1	68%	0.681	73%	0.729	S	S	*	*			trans	-74.2	153.4	174.6	43.1	0	0	0	0	110.9	I219	T217-I219 PolarHBondContact O-N 3.27Å
218	L	52.5	Low	56.2	Low	178 Å²	178	144.8 Å²	144.8	93%	0.932	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	34.9	-166.1	-146.7	124.1	0	0	0	115.3
219	I	58.3	Low	55.6	Low	119 Å²	119	145.1 Å²	145.1	61%	0.61	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	-21.9	-171.2	-55.8	176.8	0	0	0	112.6	T217 N221	T217-I219 PolarHBondContact O-N 3.27Å; I219-N221 VanDerWaalsContact C-N 3.35Å; I219-N221 PolarHBondContact O-N 3.49Å
220	D	54.9	Low	55	Low	148 Å²	148	152.1 Å²	152.1	79%	0.791	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-2.2	-170.7	-65.9	-28.4	0	0	0	115.7
221	N	56.3	Low	54.4	Low	163 Å²	163	154.9 Å²	154.9	87%	0.872	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	6.2	-178.5	-80.5	-9.8	0	0	0	114.7	I219	I219-N221 VanDerWaalsContact C-N 3.35Å; I219-N221 PolarHBondContact O-N 3.49Å
222	Q	53.7	Low	54.1	Low	164 Å²	164	159.5 Å²	159.5	77%	0.766	81%	0.812	S	S	*	*	S	Bend	trans	-92.3	-1.8	-175.5	-98.4	-177.7	2.5	0	0	116
223	F	47.9	Very low	53.9	Low	196 Å²	196	163.5 Å²	163.5	86%	0.86	82%	0.823	S	S	*	*			trans	-128.5	76.4	178.1	-65.2	-80.3	0	0	0	111.7
224	K	45.4	Very low	53.5	Low	283 Å²	283	162.6 Å²	162.6	100%	1.23	83%	0.829	S	S	*	*			trans	-141.6	0	154.9	-95	-172.6	179.9	176.6	0	109.7

Retrieved 224 of 224 residues in 1277.4 ms (Link to these results)

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