A0A096NUC6_PAPAN Loading...

Calumenin

AlphaFold DB (O43852), UniProt , Accession A0A096NUC6, Species PAPAN (Papio anubis, Olive baboon), Gene CALU, Length 315 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	50.1	Low	54.8	Low	186 Å²	186	120.5 Å²	120.5	92%	0.916	60%	0.603	S	S	*	*				0	116.2	0	-96.7	159	66.6	0	0	107.5	F6	M1-F6 HydrophobicContact CE-CD2 3.59Å; M1-F6 HydrophobicContact CE-CE2 3.92Å
2	D	65.2	Low	53.7	Low	114 Å²	114	119.2 Å²	119.2	61%	0.61	60%	0.598	S	S	*	*			trans	-77.1	147.4	-178.5	-141.7	-22.8	0	0	0	109.6	R4 Q5 F6	D2-R4 PolarHBondContact O-N 2.77Å; D2-Q5 HydrophobicContact CB-CG 4.37Å; D2-Q5 VanDerWaalsContact N-OE1 3.15Å; D2-Q5 WeakPolarHBondContact O-CA 3.37Å; D2-Q5 WeakPolarHBondContact O-CB 3.14Å; D2-Q5 PolarHBondContact O-N 3.12Å; D2-F6 PolarHBondContact O-N 3.44Å
3	L	62	Low	52.7	Low	133 Å²	133	116.9 Å²	116.9	70%	0.696	60%	0.599	S	S	*	*	H	α-helix	trans	-57.9	-27.8	-176.5	-169.7	70.4	0	0	0	111.8	F6 L7	L3-F6 PolarHBondContact O-N 2.73Å; L3-L7 HydrophobicContact CG-CD1 4.43Å; L3-L7 PolarHBondContact O-N 3.49Å; L3-L7 VanDerWaalsContact O-N 3.11Å
4	R	60.2	Low	51.8	Low	204 Å²	204	114.9 Å²	114.9	77%	0.77	60%	0.595	S	S	*	*	H	α-helix	trans	-66.8	-35.7	171.3	-77.7	-177.7	169.5	-175.4	-3.8	113.9	D2 F6 M8	D2-R4 PolarHBondContact O-N 2.77Å; R4-F6 VanDerWaalsContact C-N 3.35Å; R4-M8 PolarHBondContact O-N 2.86Å; R4-M8 VanDerWaalsContact O-N 3.09Å
5	Q	53.8	Low	50.9	Low	103 Å²	103	111.4 Å²	111.4	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-70.1	-35.4	175.7	-69.3	177.6	-42.6	0	0	111	D2 C9	D2-Q5 HydrophobicContact CB-CG 4.37Å; D2-Q5 VanDerWaalsContact N-OE1 3.15Å; D2-Q5 WeakPolarHBondContact O-CA 3.37Å; D2-Q5 WeakPolarHBondContact O-CB 3.14Å; D2-Q5 PolarHBondContact O-N 3.12Å; Q5-C9 PolarHBondContact O-N 3.05Å; Q5-C9 PolarHBondContact O-SG 3.05Å
6	F	58.2	Low	50.1	Low	115 Å²	115	114.2 Å²	114.2	50%	0.504	60%	0.596	S	S	.	*	H	α-helix	trans	-70.2	-40.3	177.5	-148.9	-94.8	0	0	0	112.3	M1 D2 L3 R4 C9 L10	M1-F6 HydrophobicContact CE-CD2 3.59Å; M1-F6 HydrophobicContact CE-CE2 3.92Å; D2-F6 PolarHBondContact O-N 3.44Å; L3-F6 PolarHBondContact O-N 2.73Å; R4-F6 VanDerWaalsContact C-N 3.35Å; F6-C9 PolarHBondContact O-N 3.21Å; F6-L10 HydrophobicContact CD1-CD1 3.62Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 PolarHBondContact O-N 3.27Å
7	L	52.3	Low	49.5	Very low	115 Å²	115	112.4 Å²	112.4	60%	0.602	60%	0.601	S	S	*	*	H	α-helix	trans	-66.8	-37	175.1	-87.5	154.4	0	0	0	113	L3 L10 S11	L3-L7 HydrophobicContact CG-CD1 4.43Å; L3-L7 PolarHBondContact O-N 3.49Å; L3-L7 VanDerWaalsContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-S11 PolarHBondContact O-N 2.87Å; L7-S11 PolarHBondContact O-OG 2.97Å
8	M	50.7	Low	48.8	Very low	120 Å²	120	114.3 Å²	114.3	59%	0.591	61%	0.61	S	S	*	*	H	α-helix	trans	-68.8	-37	172.7	-81.5	-157.2	-69.6	0	0	112.8	R4 L10 S11 L12	R4-M8 PolarHBondContact O-N 2.86Å; R4-M8 VanDerWaalsContact O-N 3.09Å; M8-L10 VanDerWaalsContact C-N 3.34Å; M8-S11 WeakPolarHBondContact CA-OG 3.33Å; M8-S11 PolarHBondContact O-N 3.26Å; M8-S11 PolarHBondContact O-OG 2.9Å; M8-L12 WeakPolarHBondContact O-CD1 3.05Å; M8-L12 PolarHBondContact O-N 3.31Å
9	C	50.4	Low	48.5	Very low	74 Å²	74	110.7 Å²	110.7	50%	0.5	60%	0.596	S	S	.	*	H	α-helix	trans	-66.3	-38.3	174.8	-66.7	0	0	0	0	111.4	Q5 F6 L12 C13	Q5-C9 PolarHBondContact O-N 3.05Å; Q5-C9 PolarHBondContact O-SG 3.05Å; F6-C9 PolarHBondContact O-N 3.21Å; C9-L12 PolarHBondContact O-N 3.4Å; C9-C13 PolarHBondContact O-N 2.93Å; C9-C13 PolarHBondContact O-SG 2.84Å
10	L	48.8	Very low	48.4	Very low	97 Å²	97	110.4 Å²	110.4	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-68.5	-36.2	176.3	-108	133.4	0	0	0	112.9	F6 L7 M8 C13 T14	F6-L10 HydrophobicContact CD1-CD1 3.62Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 PolarHBondContact O-N 3.27Å; L7-L10 PolarHBondContact O-N 3.26Å; M8-L10 VanDerWaalsContact C-N 3.34Å; L10-C13 PolarHBondContact O-N 2.77Å; L10-T14 PolarHBondContact O-N 2.73Å; L10-T14 VanDerWaalsContact O-N 3.14Å; L10-T14 PolarHBondContact O-OG1 2.78Å
11	S	50.9	Low	48	Very low	65 Å²	65	110.6 Å²	110.6	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-69.8	-34.1	174.5	61.7	0	0	0	0	112.9	L7 M8 T14 A15	L7-S11 PolarHBondContact O-N 2.87Å; L7-S11 PolarHBondContact O-OG 2.97Å; M8-S11 WeakPolarHBondContact CA-OG 3.33Å; M8-S11 PolarHBondContact O-N 3.26Å; M8-S11 PolarHBondContact O-OG 2.9Å; S11-T14 PolarHBondContact O-OG1 2.77Å; S11-A15 PolarHBondContact O-N 3.3Å
12	L	41.8	Very low	47.6	Very low	104 Å²	104	103.8 Å²	103.8	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-67	-44.8	172.4	-99.2	100.2	0	0	0	111.3	M8 C9 T14 A15 F16	M8-L12 WeakPolarHBondContact O-CD1 3.05Å; M8-L12 PolarHBondContact O-N 3.31Å; C9-L12 PolarHBondContact O-N 3.4Å; L12-T14 VanDerWaalsContact C-N 3.3Å; L12-T14 PolarHBondContact O-N 2.72Å; L12-A15 PolarHBondContact O-N 2.91Å; L12-A15 VanDerWaalsContact O-N 3.1Å; L12-F16 HydrophobicContact CD2-CE2 4.37Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 2.86Å; L12-F16 VanDerWaalsContact O-N 3.14Å
13	C	41	Very low	46.3	Very low	90 Å²	90	105.5 Å²	105.5	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-29.1	-180	-66.8	0	0	0	0	113.6	C9 L10	C9-C13 PolarHBondContact O-N 2.93Å; C9-C13 PolarHBondContact O-SG 2.84Å; L10-C13 PolarHBondContact O-N 2.77Å
14	T	40.3	Very low	45	Very low	88 Å²	88	106.8 Å²	106.8	54%	0.54	57%	0.569	S	S	.	*	H	α-helix	trans	-76.2	-24.5	173	49.8	0	0	0	0	113.2	L10 S11 L12	L10-T14 PolarHBondContact O-N 2.73Å; L10-T14 VanDerWaalsContact O-N 3.14Å; L10-T14 PolarHBondContact O-OG1 2.78Å; S11-T14 PolarHBondContact O-OG1 2.77Å; L12-T14 VanDerWaalsContact C-N 3.3Å; L12-T14 PolarHBondContact O-N 2.72Å
15	A	38	Very low	43.9	Very low	63 Å²	63	102.1 Å²	102.1	52%	0.521	55%	0.554	S	S	.	*	H	α-helix	trans	-75.6	-35.1	174.7	0	0	0	0	0	111.9	S11 L12 A17 L18	S11-A15 PolarHBondContact O-N 3.3Å; L12-A15 PolarHBondContact O-N 2.91Å; L12-A15 VanDerWaalsContact O-N 3.1Å; A15-A17 PolarHBondContact O-N 3.33Å; A15-A17 VanDerWaalsContact O-N 3.14Å; A15-L18 PolarHBondContact O-N 2.85Å
16	F	38.5	Very low	42.9	Very low	156 Å²	156	102.1 Å²	102.1	68%	0.684	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-17.2	174.3	-85.9	-73.7	0	0	0	114.2	L12	L12-F16 HydrophobicContact CD2-CE2 4.37Å; L12-F16 VanDerWaalsContact O-CD2 3.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.48Å; L12-F16 PolarHBondContact O-N 2.86Å; L12-F16 VanDerWaalsContact O-N 3.14Å
17	A	38.7	Very low	42.3	Very low	83 Å²	83	104.4 Å²	104.4	69%	0.686	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-3.5	-179.5	0	0	0	0	0	114.2	A15	A15-A17 PolarHBondContact O-N 3.33Å; A15-A17 VanDerWaalsContact O-N 3.14Å
18	L	37.2	Very low	41.5	Very low	147 Å²	147	100.1 Å²	100.1	77%	0.77	54%	0.541	S	S	*	.	S	Bend	trans	-112.5	-8.3	-174.3	-75.7	166	0	0	0	114.5	A15 K20	A15-L18 PolarHBondContact O-N 2.85Å; L18-K20 PolarHBondContact O-N 2.82Å
19	S	43.3	Very low	40.9	Very low	47 Å²	47	95.6 Å²	95.6	33%	0.329	52%	0.519	S	S	.	.			trans	-71.8	115.4	172.8	47	0	0	0	0	109.4
20	K	47.3	Very low	40.4	Very low	103 Å²	103	95.3 Å²	95.3	45%	0.448	51%	0.51	S	S	.	.			trans	-63.6	124.6	171.3	-70	-174.5	179.4	-180	0	107.8	L18 T22	L18-K20 PolarHBondContact O-N 2.82Å; K20-T22 PolarHBondContact O-N 2.97Å
21	P	39.7	Very low	40	Very low	115 Å²	115	93.1 Å²	93.1	75%	0.747	50%	0.497	S	S	*	.			trans	-60.3	128.1	173.1	24.3	-30.3	0	0	0	108.3	E23	P21-E23 PolarHBondContact O-N 2.97Å; P21-E23 VanDerWaalsContact O-N 3.1Å
22	T	40.6	Very low	39.9	Very low	43 Å²	43	90.4 Å²	90.4	26%	0.264	48%	0.478	S	S	.	.			trans	-65	109.7	170.2	-37.5	0	0	0	0	106.9	K20 K24 M152	K20-T22 PolarHBondContact O-N 2.97Å; T22-K24 PolarHBondContact O-N 3.26Å; T22-M152 HydrophobicContact CG2-CE 3.71Å
23	E	38.7	Very low	40.2	Very low	151 Å²	151	88.3 Å²	88.3	71%	0.706	47%	0.465	S	S	*	.			trans	-59.3	127.8	174.2	-81.6	178.4	172.5	0	0	108.6	P21 K25	P21-E23 PolarHBondContact O-N 2.97Å; P21-E23 VanDerWaalsContact O-N 3.1Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 2.78Å
24	K	35.9	Very low	40.9	Very low	160 Å²	160	84.8 Å²	84.8	70%	0.696	44%	0.441	S	S	*	.			trans	-67.1	97.8	167.2	-77.5	178.2	175.8	176.4	0	106	T22 D26 F147	T22-K24 PolarHBondContact O-N 3.26Å; K24-D26 PolarHBondContact O-N 2.98Å; K24-F147 HydrophobicContact CG-CE2 4.27Å; K24-F147 HydrophobicContact CG-CZ 4.5Å
25	K	36.3	Very low	41.8	Very low	106 Å²	106	81 Å²	81	46%	0.461	42%	0.418	S	S	.	.			trans	-57.4	128.5	171.5	-73.9	-170.8	171.5	-169.8	0	108.2	E23 L180	E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 2.78Å; K25-L180 PolarHBondContact NZ-O 3.21Å
26	D	33	Very low	42.9	Very low	102 Å²	102	83 Å²	83	55%	0.545	42%	0.42	S	S	.	.			trans	-59.6	140.5	174.6	-102.9	-36.9	0	0	0	110	K24 V28	K24-D26 PolarHBondContact O-N 2.98Å; D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.47Å
27	R	44.5	Very low	44.1	Very low	163 Å²	163	78.3 Å²	78.3	62%	0.615	40%	0.399	S	S	*	.	S	Bend	trans	-80.4	-8	-152.7	-64	170.6	177.1	170.4	-2.8	114.4
28	V	36.5	Very low	45.1	Very low	25 Å²	25	80 Å²	80	15%	0.152	40%	0.4	C	S	.	.			trans	-119.3	105.9	178.1	-175.9	0	0	0	0	108.8	D26 H30 D216 W257	D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.47Å; V28-H30 PolarHBondContact O-N 3.16Å; V28-D216 VanDerWaalsContact CG2-OD2 3.24Å; V28-D216 WeakPolarHBondContact CG2-OD2 3.08Å; V28-W257 HydrophobicContact CG1-CH2 4.38Å; V28-W257 HydrophobicContact CG1-CZ2 4.05Å
29	H	38.2	Very low	46.1	Very low	25 Å²	25	76.9 Å²	76.9	12%	0.116	38%	0.382	C	S	.	.			trans	-80.4	88.7	174.7	-72.5	-68.9	0	0	0	109.9	V192 I258	H29-V192 HydrophobicContact CB-CG1 3.52Å; H29-I258 WeakPolarHBondContact O-CB 3.17Å
30	H	38.9	Very low	47.2	Very low	68 Å²	68	77.3 Å²	77.3	32%	0.315	38%	0.38	S	S	.	.			trans	-67.1	162.1	154.1	-61	-53.6	0	0	0	108.6	V28	V28-H30 PolarHBondContact O-N 3.16Å
31	E	40.7	Very low	47.9	Very low	51 Å²	51	75 Å²	75	24%	0.238	37%	0.373	C	S	.	.	S	Bend	trans	-39.1	142.3	162.8	-70.5	-169.3	144.9	0	0	109.4	Q33 L259 H265	E31-Q33 PolarHBondContact O-N 3.06Å; E31-L259 HydrophobicContact CG-CD2 4.13Å; E31-H265 IonicContact OE2-CE1 3.61Å; E31-H265 IonicContact OE2-CG 3.4Å; E31-H265 IonicContact OE2-ND1 3.36Å; E31-H265 PolarHBondContact OE2-ND1 3.12Å
32	P	49	Very low	48.8	Very low	9 Å²	9	74.1 Å²	74.1	6%	0.058	38%	0.375	C	S	.	.	S	Bend	trans	-47.7	112.4	-151.8	-1.1	0.4	0	0	0	108.9	L34 Q101 E183 E184	P32-L34 PolarHBondContact O-N 3.48Å; P32-Q101 VanDerWaalsContact CG-NE2 3.3Å; P32-Q101 PolarHBondContact O-NE2 3.31Å; P32-E183 HydrophobicContact CB-CG 3.83Å; P32-E183 VanDerWaalsContact CD-CG 3.46Å; P32-E183 HydrophobicContact CG-CG 3.46Å; P32-E183 VanDerWaalsContact CG-CG 3.46Å; P32-E184 WeakPolarHBondContact CD-OE1 3.17Å; P32-E184 HydrophobicContact CG-CG 4.17Å; P32-E184 WeakPolarHBondContact CG-OE1 3.15Å
33	Q	47.4	Very low	49.4	Very low	59 Å²	59	79.7 Å²	79.7	28%	0.276	40%	0.398	S	S	.	.			trans	-49.5	127.6	-178.3	-65.5	-174.4	-3.4	0	0	106.1	E31 S35 Y47	E31-Q33 PolarHBondContact O-N 3.06Å; Q33-S35 CarbonylContact C-O 3.25Å; Q33-S35 WeakPolarHBondContact CB-O 3.02Å; Q33-S35 PolarHBondContact O-N 3.26Å; Q33-S35 PolarHBondContact OE1-O 3.4Å; Q33-Y47 HydrophobicContact CB-CE2 4.21Å
34	L	56	Low	50.6	Low	17 Å²	17	74 Å²	74	9%	0.089	38%	0.375	C	S	.	.	S	Bend	trans	-62.9	-11.6	-175.9	-65	171.6	0	0	0	111.3	P32 Y47 D50 A51 I97 Q101 E269	P32-L34 PolarHBondContact O-N 3.48Å; L34-Y47 HydrophobicContact CB-CE1 3.87Å; L34-Y47 HydrophobicContact CD1-CE1 4.03Å; L34-Y47 HydrophobicContact CG-CE1 4.32Å; L34-Y47 PolarHBondContact N-OH 3.03Å; L34-D50 CarbonylContact O-C 3.54Å; L34-A51 HydrophobicContact CB-CB 3.39Å; L34-A51 HydrophobicContact CD1-CB 3.55Å; L34-A51 HydrophobicContact CG-CB 4.02Å; L34-I97 HydrophobicContact CD1-CG2 3.84Å; L34-I97 HydrophobicContact CD2-CG2 3.74Å; L34-I97 HydrophobicContact CG-CG2 4.47Å; L34-Q101 HydrophobicContact CD2-CB 4.18Å; L34-Q101 HydrophobicContact CD2-CG 4.09Å; L34-E269 HydrophobicContact CD1-CB 4.07Å; L34-E269 HydrophobicContact CD1-CG 4.1Å
35	S	58.6	Low	52.1	Low	8 Å²	8	69.1 Å²	69.1	6%	0.056	35%	0.354	C	S	.	.	S	Bend	trans	-142.9	156	178.7	-177.6	0	0	0	0	109.8	Q33 K37 D50	Q33-S35 CarbonylContact C-O 3.25Å; Q33-S35 WeakPolarHBondContact CB-O 3.02Å; Q33-S35 PolarHBondContact O-N 3.26Å; Q33-S35 PolarHBondContact OE1-O 3.4Å; S35-K37 PolarHBondContact O-N 3.29Å; S35-K37 WeakPolarHBondContact OG-CB 3.24Å; S35-K37 VanDerWaalsContact OG-CG 3.31Å; S35-K37 WeakPolarHBondContact OG-CG 3.12Å; S35-K37 PolarHBondContact OG-N 2.85Å; S35-D50 WeakPolarHBondContact CB-OD2 3.48Å; S35-D50 WeakPolarHBondContact OG-CB 3.46Å; S35-D50 VanDerWaalsContact OG-CG 3.32Å; S35-D50 PolarHBondContact OG-OD2 3.05Å
36	D	61.2	Low	53.5	Low	106 Å²	106	65.4 Å²	65.4	57%	0.567	34%	0.339	S	S	*	.	S	Bend	trans	-80.8	10.1	163.7	58.2	-36.3	0	0	0	113.2
37	K	64.3	Low	55.1	Low	57 Å²	57	61.6 Å²	61.6	25%	0.248	32%	0.317	C	S	.	.	S	Bend	trans	-108.5	161.6	-175.1	-54	175.9	-177.9	-179.2	0	111.7	S35 D46 Y47	S35-K37 PolarHBondContact O-N 3.29Å; S35-K37 WeakPolarHBondContact OG-CB 3.24Å; S35-K37 VanDerWaalsContact OG-CG 3.31Å; S35-K37 WeakPolarHBondContact OG-CG 3.12Å; S35-K37 PolarHBondContact OG-N 2.85Å; K37-D46 HydrophobicContact CD-CB 3.37Å; K37-D46 IonicContact NZ-OD2 2.86Å; K37-D46 PolarHBondContact NZ-OD2 3.25Å; K37-Y47 WeakPolarHBondContact O-CD2 3.46Å
38	V	60.1	Low	56.2	Low	117 Å²	117	53.8 Å²	53.8	71%	0.709	29%	0.288	S	S	*	.			trans	-77	129.8	178.1	-178.3	0	0	0	0	110.2	N40	V38-N40 PolarHBondContact O-N 2.93Å
39	H	58.6	Low	57.8	Low	82 Å²	82	52.6 Å²	52.6	38%	0.38	28%	0.281	S	S	.	.			trans	-69.1	108.3	171.3	-165.4	-87	0	0	0	110.1	D41 Y47 D48 E269	H39-D41 IonicContact CE1-OD1 3.33Å; H39-D41 PolarHBondContact CE1-OD1 3.24Å; H39-D41 IonicContact CE1-OD2 3.08Å; H39-D41 PolarHBondContact CE1-OD2 2.91Å; H39-D41 IonicContact ND1-OD1 3.56Å; H39-D41 IonicContact NE2-OD1 2.85Å; H39-D41 PolarHBondContact NE2-OD1 3.35Å; H39-Y47 HydrophobicContact CB-CD2 4.11Å; H39-Y47 HydrophobicContact CB-CG 4.06Å; H39-Y47 AromaticContact CD2-CD1 3.3Å; H39-Y47 WeakPolarHBondContact CD2-CD1 3.3Å; H39-Y47 AromaticContact CD2-CE1 3.88Å; H39-Y47 AromaticContact CD2-CG 3.55Å; H39-D48 IonicContact CD2-OD1 3.89Å; H39-D48 PolarHBondContact CD2-OD1 3.36Å; H39-D48 IonicContact CE1-OD1 2.86Å; H39-D48 IonicContact NE2-OD1 2.85Å; H39-D48 PolarHBondContact NE2-OD1 3.23Å; H39-E269 IonicContact NE2-OE2 3.02Å
40	N	65.7	Low	59.2	Low	57 Å²	57	51.7 Å²	51.7	31%	0.305	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-156.2	80.2	179.8	-174.8	-0.8	0	0	0	112.1	V38 A42 Q43 S44	V38-N40 PolarHBondContact O-N 2.93Å; N40-A42 PolarHBondContact O-N 3.15Å; N40-A42 WeakPolarHBondContact OD1-CB 3.25Å; N40-A42 PolarHBondContact OD1-N 3.47Å; N40-Q43 PolarHBondContact ND2-OE1 2.76Å; N40-Q43 PolarHBondContact O-N 3.3Å; N40-S44 CarbonylContact C-O 3.41Å; N40-S44 VanDerWaalsContact C-O 3.24Å; N40-S44 PolarHBondContact O-N 2.87Å
41	D	63.1	Low	60.5	Low	54 Å²	54	48.6 Å²	48.6	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.2	-178.4	-50.8	-24.3	0	0	0	114.3	H39 Q43 F45 H272	H39-D41 IonicContact CE1-OD1 3.33Å; H39-D41 PolarHBondContact CE1-OD1 3.24Å; H39-D41 IonicContact CE1-OD2 3.08Å; H39-D41 PolarHBondContact CE1-OD2 2.91Å; H39-D41 IonicContact ND1-OD1 3.56Å; H39-D41 IonicContact NE2-OD1 2.85Å; H39-D41 PolarHBondContact NE2-OD1 3.35Å; D41-Q43 VanDerWaalsContact C-N 3.32Å; D41-F45 HydrophobicContact CB-CD1 4.24Å; D41-F45 HydrophobicContact CB-CE1 3.79Å; D41-H272 IonicContact OD1-CE1 3.33Å; D41-H272 IonicContact OD2-CE1 3.3Å; D41-H272 PolarHBondContact OD2-CE1 3.44Å; D41-H272 IonicContact OD2-NE2 2.78Å; D41-H272 PolarHBondContact OD2-NE2 3.5Å
42	A	58.1	Low	61.8	Low	97 Å²	97	46.2 Å²	46.2	80%	0.802	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.8	176.6	0	0	0	0	0	112.8	N40	N40-A42 PolarHBondContact O-N 3.15Å; N40-A42 WeakPolarHBondContact OD1-CB 3.25Å; N40-A42 PolarHBondContact OD1-N 3.47Å
43	Q	53.5	Low	62.7	Low	160 Å²	160	46 Å²	46	75%	0.748	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	-34.9	-179.9	-71.3	-173.6	-1.7	0	0	113	N40 D41	N40-Q43 PolarHBondContact ND2-OE1 2.76Å; N40-Q43 PolarHBondContact O-N 3.3Å; D41-Q43 VanDerWaalsContact C-N 3.32Å
44	S	62.6	Low	63.5	Low	30 Å²	30	43.6 Å²	43.6	21%	0.21	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-164.1	147	-173.3	154.5	0	0	0	0	111.2	N40 D46	N40-S44 CarbonylContact C-O 3.41Å; N40-S44 VanDerWaalsContact C-O 3.24Å; N40-S44 PolarHBondContact O-N 2.87Å; S44-D46 VanDerWaalsContact C-N 3.34Å; S44-D46 WeakPolarHBondContact OG-CB 3.4Å; S44-D46 PolarHBondContact OG-N 3.46Å; S44-D46 PolarHBondContact OG-OD1 3.43Å
45	F	67.2	Low	63.7	Low	58 Å²	58	43.5 Å²	43.5	25%	0.254	24%	0.243	S	C	.	.			trans	-99.5	21	172	-60.3	-70.6	0	0	0	111.8	D41 Y47 D48 H49 L296	D41-F45 HydrophobicContact CB-CD1 4.24Å; D41-F45 HydrophobicContact CB-CE1 3.79Å; F45-Y47 PolarHBondContact O-N 3.3Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.34Å; F45-D48 PolarHBondContact O-N 3.05Å; F45-H49 VanDerWaalsContact O-CB 3.31Å; F45-H49 WeakPolarHBondContact O-CB 3.28Å; F45-H49 PolarHBondContact O-N 2.86Å; F45-L296 HydrophobicContact CB-CD1 4.41Å; F45-L296 HydrophobicContact CD1-CD1 3.34Å; F45-L296 HydrophobicContact CE1-CD1 3.6Å; F45-L296 HydrophobicContact CG-CD1 3.89Å; F45-L296 HydrophobicContact CZ-CD1 4.37Å
46	D	66.2	Low	63.7	Low	29 Å²	29	49 Å²	49	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-29.1	-172.4	-77.6	31.2	0	0	0	112.4	K37 S44 H49 D50 S300	K37-D46 HydrophobicContact CD-CB 3.37Å; K37-D46 IonicContact NZ-OD2 2.86Å; K37-D46 PolarHBondContact NZ-OD2 3.25Å; S44-D46 VanDerWaalsContact C-N 3.34Å; S44-D46 WeakPolarHBondContact OG-CB 3.4Å; S44-D46 PolarHBondContact OG-N 3.46Å; S44-D46 PolarHBondContact OG-OD1 3.43Å; D46-H49 WeakPolarHBondContact O-CB 3.47Å; D46-D50 PolarHBondContact O-N 3.43Å; D46-D50 VanDerWaalsContact O-N 3.09Å; D46-S300 WeakPolarHBondContact OD1-CA 3.38Å
47	Y	67	Low	63.8	Low	21 Å²	21	46.1 Å²	46.1	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-51.1	173.1	-176.7	-76	0	0	0	110.9	Q33 L34 K37 H39 F45 H49 D50 A51	Q33-Y47 HydrophobicContact CB-CE2 4.21Å; L34-Y47 HydrophobicContact CB-CE1 3.87Å; L34-Y47 HydrophobicContact CD1-CE1 4.03Å; L34-Y47 HydrophobicContact CG-CE1 4.32Å; L34-Y47 PolarHBondContact N-OH 3.03Å; K37-Y47 WeakPolarHBondContact O-CD2 3.46Å; H39-Y47 HydrophobicContact CB-CD2 4.11Å; H39-Y47 HydrophobicContact CB-CG 4.06Å; H39-Y47 AromaticContact CD2-CD1 3.3Å; H39-Y47 WeakPolarHBondContact CD2-CD1 3.3Å; H39-Y47 AromaticContact CD2-CE1 3.88Å; H39-Y47 AromaticContact CD2-CG 3.55Å; F45-Y47 PolarHBondContact O-N 3.3Å; Y47-H49 PolarHBondContact O-N 3.33Å; Y47-D50 PolarHBondContact O-N 2.78Å; Y47-D50 VanDerWaalsContact O-N 3.16Å; Y47-A51 HydrophobicContact CD1-CB 4.41Å; Y47-A51 HydrophobicContact CE1-CB 4.43Å; Y47-A51 VanDerWaalsContact O-CB 3.31Å; Y47-A51 WeakPolarHBondContact O-CB 3.39Å; Y47-A51 PolarHBondContact O-N 3.36Å
48	D	66.4	Low	63.8	Low	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-35.8	179	-56.1	-16.6	0	0	0	111	H39 F45 A51 F52 E269 H272 L273	H39-D48 IonicContact CD2-OD1 3.89Å; H39-D48 PolarHBondContact CD2-OD1 3.36Å; H39-D48 IonicContact CE1-OD1 2.86Å; H39-D48 IonicContact NE2-OD1 2.85Å; H39-D48 PolarHBondContact NE2-OD1 3.23Å; F45-D48 WeakPolarHBondContact CD1-OD2 3.34Å; F45-D48 PolarHBondContact O-N 3.05Å; D48-A51 WeakPolarHBondContact O-CB 3.44Å; D48-A51 PolarHBondContact O-N 3.37Å; D48-F52 VanDerWaalsContact O-CB 3.23Å; D48-F52 WeakPolarHBondContact O-CB 3.34Å; D48-F52 PolarHBondContact O-N 2.72Å; D48-E269 VanDerWaalsContact OD1-OE1 3.06Å; D48-H272 IonicContact OD1-ND1 3.35Å; D48-H272 IonicContact OD2-CE1 3.25Å; D48-H272 PolarHBondContact OD2-CE1 2.93Å; D48-H272 VanDerWaalsContact OD2-CE1 3.3Å; D48-H272 IonicContact OD2-ND1 3.13Å; D48-L273 HydrophobicContact CB-CD2 4.22Å
49	H	70.2	Confident	64	Low	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-52.5	174	171	93.9	0	0	0	112.9	F45 D46 Y47 A51 F52 L53 A58 D62 V298	F45-H49 VanDerWaalsContact O-CB 3.31Å; F45-H49 WeakPolarHBondContact O-CB 3.28Å; F45-H49 PolarHBondContact O-N 2.86Å; D46-H49 WeakPolarHBondContact O-CB 3.47Å; Y47-H49 PolarHBondContact O-N 3.33Å; H49-A51 VanDerWaalsContact C-N 3.26Å; H49-A51 PolarHBondContact O-N 3.37Å; H49-F52 PolarHBondContact O-N 3.15Å; H49-L53 WeakPolarHBondContact CE1-CD1 3.42Å; H49-L53 VanDerWaalsContact ND1-CD1 3.32Å; H49-L53 WeakPolarHBondContact ND1-CD1 3.26Å; H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 WeakPolarHBondContact O-CG 3.44Å; H49-L53 PolarHBondContact O-N 3.5Å; H49-A58 WeakPolarHBondContact CD2-CB 3.13Å; H49-A58 VanDerWaalsContact NE2-C 3.33Å; H49-A58 WeakPolarHBondContact NE2-CA 3.45Å; H49-A58 WeakPolarHBondContact NE2-CB 3.25Å; H49-A58 PolarHBondContact NE2-O 3Å; H49-A58 VanDerWaalsContact NE2-O 3.08Å; H49-D62 IonicContact NE2-OD1 2.67Å; H49-V298 PolarHBondContact CE1-O 3.11Å; H49-V298 WeakPolarHBondContact ND1-CA 3.27Å; H49-V298 PolarHBondContact ND1-O 3.43Å
50	D	69.2	Low	64.3	Low	6 Å²	6	42.7 Å²	42.7	3%	0.032	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-35.4	177.4	-77.9	-2.8	0	0	0	110.9	L34 S35 D46 Y47 G54 A58	L34-D50 CarbonylContact O-C 3.54Å; S35-D50 WeakPolarHBondContact CB-OD2 3.48Å; S35-D50 WeakPolarHBondContact OG-CB 3.46Å; S35-D50 VanDerWaalsContact OG-CG 3.32Å; S35-D50 PolarHBondContact OG-OD2 3.05Å; D46-D50 PolarHBondContact O-N 3.43Å; D46-D50 VanDerWaalsContact O-N 3.09Å; Y47-D50 PolarHBondContact O-N 2.78Å; Y47-D50 VanDerWaalsContact O-N 3.16Å; D50-G54 WeakPolarHBondContact O-CA 3.48Å; D50-G54 PolarHBondContact O-N 2.91Å; D50-A58 WeakPolarHBondContact OD1-CB 3.23Å
51	A	64.8	Low	64.3	Low	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-41.9	175	0	0	0	0	0	113.7	L34 Y47 D48 H49 E269	L34-A51 HydrophobicContact CB-CB 3.39Å; L34-A51 HydrophobicContact CD1-CB 3.55Å; L34-A51 HydrophobicContact CG-CB 4.02Å; Y47-A51 HydrophobicContact CD1-CB 4.41Å; Y47-A51 HydrophobicContact CE1-CB 4.43Å; Y47-A51 VanDerWaalsContact O-CB 3.31Å; Y47-A51 WeakPolarHBondContact O-CB 3.39Å; Y47-A51 PolarHBondContact O-N 3.36Å; D48-A51 WeakPolarHBondContact O-CB 3.44Å; D48-A51 PolarHBondContact O-N 3.37Å; H49-A51 VanDerWaalsContact C-N 3.26Å; H49-A51 PolarHBondContact O-N 3.37Å; A51-E269 HydrophobicContact CB-CG 4.06Å
52	F	68.4	Low	64.3	Low	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-79.5	-38.6	-177.7	-177.9	-97.1	0	0	0	112.7	D48 H49 L73 I76 I80 L93 W96 L273 F297	D48-F52 VanDerWaalsContact O-CB 3.23Å; D48-F52 WeakPolarHBondContact O-CB 3.34Å; D48-F52 PolarHBondContact O-N 2.72Å; H49-F52 PolarHBondContact O-N 3.15Å; F52-L73 HydrophobicContact CD1-CD1 4.22Å; F52-L73 HydrophobicContact CE1-CD1 3.49Å; F52-L73 VanDerWaalsContact CE1-CD1 3.49Å; F52-L73 HydrophobicContact CZ-CD1 4.2Å; F52-I76 HydrophobicContact CE1-CG2 3.71Å; F52-I76 HydrophobicContact CZ-CG2 3.77Å; F52-I80 HydrophobicContact CE1-CD1 4.47Å; F52-I80 HydrophobicContact CE2-CD1 3.34Å; F52-I80 HydrophobicContact CZ-CD1 3.32Å; F52-L93 HydrophobicContact CD2-CD1 3.77Å; F52-L93 HydrophobicContact CE2-CD1 3.5Å; F52-W96 PolarHBondContact O-NE1 3.35Å; F52-L273 HydrophobicContact CD2-CD1 4.13Å; F52-F297 HydrophobicContact CD1-CB 4.11Å; F52-F297 HydrophobicContact CD1-CD1 4.08Å; F52-F297 AromaticContact CD2-CD1 3.6Å; F52-F297 HydrophobicContact CD2-CD1 3.6Å; F52-F297 HydrophobicContact CD2-CE1 4.08Å; F52-F297 HydrophobicContact CE1-CB 4.26Å; F52-F297 HydrophobicContact CE1-CD1 4.11Å; F52-F297 AromaticContact CE2-CD1 3.57Å; F52-F297 HydrophobicContact CE2-CD1 3.57Å; F52-F297 AromaticContact CE2-CE1 3.9Å; F52-F297 HydrophobicContact CE2-CE1 3.9Å; F52-F297 AromaticContact CG-CD1 3.84Å; F52-F297 HydrophobicContact CG-CD1 3.84Å; F52-F297 AromaticContact CZ-CD1 3.84Å; F52-F297 HydrophobicContact CZ-CD1 3.84Å; F52-F297 HydrophobicContact CZ-CE1 4.45Å
53	L	68.7	Low	64.8	Low	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-97.6	-29.6	-173.8	-60	171.1	0	0	0	113.2	H49 E57 A58 F61 I76 V298	H49-L53 WeakPolarHBondContact CE1-CD1 3.42Å; H49-L53 VanDerWaalsContact ND1-CD1 3.32Å; H49-L53 WeakPolarHBondContact ND1-CD1 3.26Å; H49-L53 WeakPolarHBondContact O-CB 3.46Å; H49-L53 WeakPolarHBondContact O-CG 3.44Å; H49-L53 PolarHBondContact O-N 3.5Å; L53-E57 HydrophobicContact CB-CB 4.11Å; L53-E57 WeakPolarHBondContact O-CB 3.49Å; L53-A58 HydrophobicContact CB-CB 4.23Å; L53-A58 HydrophobicContact CD1-CB 4.29Å; L53-F61 HydrophobicContact CD1-CB 4.12Å; L53-F61 HydrophobicContact CD1-CD2 3.77Å; L53-F61 HydrophobicContact CD1-CE2 4.24Å; L53-F61 HydrophobicContact CD1-CG 3.99Å; L53-F61 HydrophobicContact CD2-CD2 4.12Å; L53-F61 HydrophobicContact CD2-CE2 3.73Å; L53-F61 HydrophobicContact CD2-CZ 4.05Å; L53-I76 HydrophobicContact CD2-CD1 3.43Å; L53-I76 VanDerWaalsContact CD2-CD1 3.43Å; L53-V298 HydrophobicContact CD1-CB 4.38Å; L53-V298 HydrophobicContact CD1-CG1 3.61Å; L53-V298 HydrophobicContact CD2-CG1 3.78Å; L53-V298 HydrophobicContact CG-CG1 4.18Å
54	G	63.3	Low	65.5	Low	10 Å²	10	38.9 Å²	38.9	10%	0.103	20%	0.195	C	C	.	.			trans	78.1	145.9	-160.2	0	0	0	0	0	111.8	D50 E56 E57 A58	D50-G54 WeakPolarHBondContact O-CA 3.48Å; D50-G54 PolarHBondContact O-N 2.91Å; G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 2.92Å; G54-E57 PolarHBondContact O-N 3.11Å; G54-E57 VanDerWaalsContact O-N 3.09Å; G54-A58 VanDerWaalsContact O-CB 3.3Å; G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.16Å
55	A	61.6	Low	66.1	Low	15 Å²	15	40.6 Å²	40.6	12%	0.124	20%	0.204	C	C	.	.	H	α-helix	trans	-54.2	-33.4	-167.2	0	0	0	0	0	116.3	K59	A55-K59 VanDerWaalsContact O-CG 3.28Å; A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.05Å; A55-K59 VanDerWaalsContact O-N 3.15Å
56	E	57.8	Low	66.5	Low	124 Å²	124	40.4 Å²	40.4	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-75.1	-46.4	177.2	-89.2	-122.1	155.5	0	0	112.3	G54 A58 K59 T60	G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 2.92Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-K59 PolarHBondContact O-N 2.86Å; E56-T60 PolarHBondContact O-N 3.48Å; E56-T60 VanDerWaalsContact O-N 3.12Å
57	E	63.5	Low	67.2	Low	44 Å²	44	45.7 Å²	45.7	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-43.3	179.1	-74	164.9	-170.2	0	0	108	L53 G54 K59 T60 F61 R103	L53-E57 HydrophobicContact CB-CB 4.11Å; L53-E57 WeakPolarHBondContact O-CB 3.49Å; G54-E57 PolarHBondContact O-N 3.11Å; G54-E57 VanDerWaalsContact O-N 3.09Å; E57-K59 PolarHBondContact O-N 2.87Å; E57-T60 WeakPolarHBondContact O-CA 3.34Å; E57-T60 WeakPolarHBondContact O-CB 3.42Å; E57-T60 PolarHBondContact O-N 2.79Å; E57-T60 PolarHBondContact O-OG1 3.29Å; E57-F61 VanDerWaalsContact O-CD2 3.25Å; E57-F61 WeakPolarHBondContact O-CD2 3.26Å; E57-F61 PolarHBondContact O-N 3.36Å; E57-R103 IonicContact OE1-CZ 2.7Å; E57-R103 IonicContact OE1-NH1 2.75Å; E57-R103 PolarHBondContact OE1-NH1 2.75Å; E57-R103 IonicContact OE1-NH2 3.41Å; E57-R103 PolarHBondContact OE1-NH2 3.25Å; E57-R103 VanDerWaalsContact OE1-NH2 3.13Å
58	A	64.4	Low	67.7	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-46.6	-54.2	169.1	0	0	0	0	0	114.3	H49 D50 L53 G54 E56 T60 F61 D62	H49-A58 WeakPolarHBondContact CD2-CB 3.13Å; H49-A58 VanDerWaalsContact NE2-C 3.33Å; H49-A58 WeakPolarHBondContact NE2-CA 3.45Å; H49-A58 WeakPolarHBondContact NE2-CB 3.25Å; H49-A58 PolarHBondContact NE2-O 3Å; H49-A58 VanDerWaalsContact NE2-O 3.08Å; D50-A58 WeakPolarHBondContact OD1-CB 3.23Å; L53-A58 HydrophobicContact CB-CB 4.23Å; L53-A58 HydrophobicContact CD1-CB 4.29Å; G54-A58 VanDerWaalsContact O-CB 3.3Å; G54-A58 WeakPolarHBondContact O-CB 3.46Å; G54-A58 PolarHBondContact O-N 3.16Å; E56-A58 VanDerWaalsContact C-N 3.3Å; A58-T60 PolarHBondContact O-N 3.29Å; A58-F61 WeakPolarHBondContact O-CB 3.36Å; A58-F61 PolarHBondContact O-N 2.97Å; A58-D62 PolarHBondContact O-N 3.49Å; A58-D62 VanDerWaalsContact O-N 3.14Å
59	K	64.5	Low	68.1	Low	132 Å²	132	49.2 Å²	49.2	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-59.7	-33.5	176.8	-76.9	172.8	-174.4	175.7	0	113.3	A55 E56 E57	A55-K59 VanDerWaalsContact O-CG 3.28Å; A55-K59 WeakPolarHBondContact O-CG 3.48Å; A55-K59 PolarHBondContact O-N 3.05Å; A55-K59 VanDerWaalsContact O-N 3.15Å; E56-K59 PolarHBondContact O-N 2.86Å; E57-K59 PolarHBondContact O-N 2.87Å
60	T	64.9	Low	68.7	Low	53 Å²	53	52.5 Å²	52.5	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-71.2	-33.4	175.4	64.3	0	0	0	0	112.1	E56 E57 A58 Q63 L64 R72	E56-T60 PolarHBondContact O-N 3.48Å; E56-T60 VanDerWaalsContact O-N 3.12Å; E57-T60 WeakPolarHBondContact O-CA 3.34Å; E57-T60 WeakPolarHBondContact O-CB 3.42Å; E57-T60 PolarHBondContact O-N 2.79Å; E57-T60 PolarHBondContact O-OG1 3.29Å; A58-T60 PolarHBondContact O-N 3.29Å; T60-Q63 PolarHBondContact O-N 3.16Å; T60-L64 WeakPolarHBondContact O-CG 3.06Å; T60-R72 PolarHBondContact OG1-NH1 3.45Å
61	F	65.6	Low	69.3	Low	5 Å²	5	57.9 Å²	57.9	2%	0.022	29%	0.29	C	S	.	.	H	α-helix	trans	-71.3	-29.8	178.2	-87.5	-93.8	0	0	0	113	L53 E57 A58 Q63 L64 S69 R72 I76 V298	L53-F61 HydrophobicContact CD1-CB 4.12Å; L53-F61 HydrophobicContact CD1-CD2 3.77Å; L53-F61 HydrophobicContact CD1-CE2 4.24Å; L53-F61 HydrophobicContact CD1-CG 3.99Å; L53-F61 HydrophobicContact CD2-CD2 4.12Å; L53-F61 HydrophobicContact CD2-CE2 3.73Å; L53-F61 HydrophobicContact CD2-CZ 4.05Å; E57-F61 VanDerWaalsContact O-CD2 3.25Å; E57-F61 WeakPolarHBondContact O-CD2 3.26Å; E57-F61 PolarHBondContact O-N 3.36Å; A58-F61 WeakPolarHBondContact O-CB 3.36Å; A58-F61 PolarHBondContact O-N 2.97Å; F61-Q63 PolarHBondContact O-N 3.17Å; F61-L64 HydrophobicContact CD1-CD1 3.94Å; F61-L64 HydrophobicContact CE1-CD1 4.35Å; F61-L64 HydrophobicContact CG-CD1 4.17Å; F61-L64 PolarHBondContact O-N 3.49Å; F61-S69 WeakPolarHBondContact CE1-O 3.41Å; F61-R72 HydrophobicContact CE1-CB 3.5Å; F61-R72 HydrophobicContact CE1-CG 4.46Å; F61-R72 HydrophobicContact CE2-CB 4.16Å; F61-R72 HydrophobicContact CZ-CB 3.25Å; F61-R72 HydrophobicContact CZ-CG 4.17Å; F61-I76 HydrophobicContact CE2-CD1 3.96Å; F61-I76 HydrophobicContact CZ-CD1 3.79Å; F61-V298 HydrophobicContact CB-CB 4.47Å; F61-V298 HydrophobicContact CB-CG1 4.4Å; F61-V298 HydrophobicContact CD1-CB 3.59Å; F61-V298 HydrophobicContact CD1-CG1 3.18Å; F61-V298 HydrophobicContact CD1-CG2 4.4Å; F61-V298 HydrophobicContact CD2-CG1 4.24Å; F61-V298 HydrophobicContact CE1-CB 3.94Å; F61-V298 HydrophobicContact CE1-CG1 3.13Å; F61-V298 HydrophobicContact CE1-CG2 4.47Å; F61-V298 HydrophobicContact CE2-CG1 4.24Å; F61-V298 HydrophobicContact CG-CB 4.22Å; F61-V298 HydrophobicContact CG-CG1 3.73Å; F61-V298 HydrophobicContact CZ-CG1 3.67Å
62	D	62.2	Low	70	Confident	68 Å²	68	62.5 Å²	62.5	36%	0.364	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22	173.2	-67.9	-28.1	0	0	0	113.5	H49 A58 S300	H49-D62 IonicContact NE2-OD1 2.67Å; A58-D62 PolarHBondContact O-N 3.49Å; A58-D62 VanDerWaalsContact O-N 3.14Å; D62-S300 WeakPolarHBondContact OD1-CB 3.46Å; D62-S300 PolarHBondContact OD1-OG 3.25Å
63	Q	68.3	Low	70.7	Confident	172 Å²	172	62.5 Å²	62.5	80%	0.804	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.1	-178	-59.5	-179	8.1	0	0	113.4	T60 F61	T60-Q63 PolarHBondContact O-N 3.16Å; F61-Q63 PolarHBondContact O-N 3.17Å
64	L	68.7	Low	71.5	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.225	31%	0.307	C	S	.	.	S	Bend	trans	-89.4	147.8	-175.4	-67.4	-179.8	0	0	0	111.4	T60 F61 E68 S69 R72	T60-L64 WeakPolarHBondContact O-CG 3.06Å; F61-L64 HydrophobicContact CD1-CD1 3.94Å; F61-L64 HydrophobicContact CE1-CD1 4.35Å; F61-L64 HydrophobicContact CG-CD1 4.17Å; F61-L64 PolarHBondContact O-N 3.49Å; L64-E68 HydrophobicContact CB-CB 3.93Å; L64-E68 HydrophobicContact CD1-CB 4.38Å; L64-E68 HydrophobicContact CD2-CB 4.03Å; L64-E68 HydrophobicContact CG-CB 4.31Å; L64-S69 WeakPolarHBondContact CB-OG 3.15Å; L64-R72 HydrophobicContact CD1-CG 4.2Å
65	T	74.8	Confident	72.5	Confident	65 Å²	65	67.4 Å²	67.4	40%	0.399	33%	0.326	S	S	.	.			trans	-65.1	156	166.6	57	0	0	0	0	110.7	E67 E68 S69	T65-E67 PolarHBondContact O-N 3.32Å; T65-E67 VanDerWaalsContact O-N 3.13Å; T65-E68 PolarHBondContact N-OE2 3.19Å; T65-E68 PolarHBondContact O-N 2.58Å; T65-E68 WeakPolarHBondContact OG1-CB 3.22Å; T65-E68 VanDerWaalsContact OG1-CD 3.27Å; T65-E68 VanDerWaalsContact OG1-CG 3.23Å; T65-E68 WeakPolarHBondContact OG1-CG 3.49Å; T65-E68 PolarHBondContact OG1-N 3.22Å; T65-E68 PolarHBondContact OG1-OE2 2.96Å; T65-S69 PolarHBondContact O-N 2.94Å; T65-S69 PolarHBondContact O-OG 3.33Å
66	P	76.8	Confident	73.6	Confident	55 Å²	55	67.2 Å²	67.2	36%	0.357	32%	0.322	S	S	.	.	H	α-helix	trans	-50.3	-39.8	175.4	-29.5	36.9	0	0	0	113	K70 Y294	P66-K70 WeakPolarHBondContact O-CB 3.43Å; P66-K70 WeakPolarHBondContact O-CG 3.12Å; P66-K70 PolarHBondContact O-N 3.04Å; P66-Y294 HydrophobicContact CB-CE1 4.5Å; P66-Y294 HydrophobicContact CB-CE2 4.14Å
67	E	79.4	Confident	75	Confident	140 Å²	140	61.6 Å²	61.6	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-65.8	-42	177.7	-69.6	72.5	-162.3	0	0	112.8	T65 K70 E71	T65-E67 PolarHBondContact O-N 3.32Å; T65-E67 VanDerWaalsContact O-N 3.13Å; E67-K70 PolarHBondContact O-N 3.46Å; E67-E71 PolarHBondContact O-N 3.18Å
68	E	78.1	Confident	76.1	Confident	90 Å²	90	63 Å²	63	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-69.8	-39.9	177.2	-73.3	168.1	138.6	0	0	111.8	L64 T65 E71 R72	L64-E68 HydrophobicContact CB-CB 3.93Å; L64-E68 HydrophobicContact CD1-CB 4.38Å; L64-E68 HydrophobicContact CD2-CB 4.03Å; L64-E68 HydrophobicContact CG-CB 4.31Å; T65-E68 PolarHBondContact N-OE2 3.19Å; T65-E68 PolarHBondContact O-N 2.58Å; T65-E68 WeakPolarHBondContact OG1-CB 3.22Å; T65-E68 VanDerWaalsContact OG1-CD 3.27Å; T65-E68 VanDerWaalsContact OG1-CG 3.23Å; T65-E68 WeakPolarHBondContact OG1-CG 3.49Å; T65-E68 PolarHBondContact OG1-N 3.22Å; T65-E68 PolarHBondContact OG1-OE2 2.96Å; E68-E71 PolarHBondContact O-N 2.92Å; E68-R72 PolarHBondContact O-N 3.43Å
69	S	75.3	Confident	77.2	Confident	4 Å²	4	69.1 Å²	69.1	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-48.3	173.1	-66	0	0	0	0	110.3	F61 L64 T65 E71 R72 L73	F61-S69 WeakPolarHBondContact CE1-O 3.41Å; L64-S69 WeakPolarHBondContact CB-OG 3.15Å; T65-S69 PolarHBondContact O-N 2.94Å; T65-S69 PolarHBondContact O-OG 3.33Å; S69-E71 VanDerWaalsContact C-N 3.35Å; S69-E71 PolarHBondContact O-N 2.97Å; S69-R72 PolarHBondContact O-N 2.9Å; S69-L73 WeakPolarHBondContact O-CB 3.19Å; S69-L73 PolarHBondContact O-N 3.29Å
70	K	81.6	Confident	78.4	Confident	70 Å²	70	63.2 Å²	63.2	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-42.1	175.1	-75.5	-176	-179.7	-160.4	0	112.8	P66 E67 G74 V291 Y294	P66-K70 WeakPolarHBondContact O-CB 3.43Å; P66-K70 WeakPolarHBondContact O-CG 3.12Å; P66-K70 PolarHBondContact O-N 3.04Å; E67-K70 PolarHBondContact O-N 3.46Å; K70-G74 PolarHBondContact O-N 3.28Å; K70-V291 HydrophobicContact CB-CG1 3.69Å; K70-V291 HydrophobicContact CD-CG1 3.84Å; K70-V291 VanDerWaalsContact CE-O 3.27Å; K70-V291 WeakPolarHBondContact CE-O 3.48Å; K70-V291 HydrophobicContact CG-CG1 3.66Å; K70-Y294 HydrophobicContact CD-CD1 4.31Å; K70-Y294 HydrophobicContact CG-CD1 4.19Å; K70-Y294 HydrophobicContact CG-CG 4.03Å
71	E	83	Confident	79.7	Confident	118 Å²	118	61.6 Å²	61.6	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-63.8	-46.2	177.4	-166.1	-159.6	145.4	0	0	111.6	E67 E68 S69 G74 K75	E67-E71 PolarHBondContact O-N 3.18Å; E68-E71 PolarHBondContact O-N 2.92Å; S69-E71 VanDerWaalsContact C-N 3.35Å; S69-E71 PolarHBondContact O-N 2.97Å; E71-G74 PolarHBondContact O-N 2.97Å; E71-K75 PolarHBondContact O-N 2.68Å; E71-K75 WeakPolarHBondContact OE1-CE 3.45Å; E71-K75 IonicContact OE1-NZ 3.25Å; E71-K75 PolarHBondContact OE1-NZ 3.41Å
72	R	79.2	Confident	80.8	Confident	101 Å²	101	64.1 Å²	64.1	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-44.5	178.2	-83.9	-154	177.5	-176.3	2.9	112	T60 F61 L64 E68 S69 G74 K75 I76	T60-R72 PolarHBondContact OG1-NH1 3.45Å; F61-R72 HydrophobicContact CE1-CB 3.5Å; F61-R72 HydrophobicContact CE1-CG 4.46Å; F61-R72 HydrophobicContact CE2-CB 4.16Å; F61-R72 HydrophobicContact CZ-CB 3.25Å; F61-R72 HydrophobicContact CZ-CG 4.17Å; L64-R72 HydrophobicContact CD1-CG 4.2Å; E68-R72 PolarHBondContact O-N 3.43Å; S69-R72 PolarHBondContact O-N 2.9Å; R72-G74 PolarHBondContact O-N 3.49Å; R72-K75 WeakPolarHBondContact O-CA 3.14Å; R72-K75 WeakPolarHBondContact O-CB 3.5Å; R72-K75 PolarHBondContact O-N 2.89Å; R72-I76 PolarHBondContact O-N 2.93Å
73	L	82.1	Confident	82.3	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-56.4	-43.8	176.4	-165.5	77	0	0	0	109.8	F52 S69 K75 I76 V77 I290 V291 F297 V298	F52-L73 HydrophobicContact CD1-CD1 4.22Å; F52-L73 HydrophobicContact CE1-CD1 3.49Å; F52-L73 VanDerWaalsContact CE1-CD1 3.49Å; F52-L73 HydrophobicContact CZ-CD1 4.2Å; S69-L73 WeakPolarHBondContact O-CB 3.19Å; S69-L73 PolarHBondContact O-N 3.29Å; L73-K75 PolarHBondContact O-N 2.96Å; L73-K75 VanDerWaalsContact O-N 3.13Å; L73-I76 WeakPolarHBondContact O-CA 3.18Å; L73-I76 WeakPolarHBondContact O-CB 3.44Å; L73-I76 PolarHBondContact O-N 2.89Å; L73-V77 WeakPolarHBondContact O-CG2 3.4Å; L73-V77 PolarHBondContact O-N 3.38Å; L73-I290 HydrophobicContact CD1-CG2 4.38Å; L73-I290 HydrophobicContact CD2-CG2 3.53Å; L73-I290 VanDerWaalsContact CD2-O 3.24Å; L73-I290 WeakPolarHBondContact CD2-O 3.3Å; L73-I290 HydrophobicContact CG-CG2 3.84Å; L73-V291 HydrophobicContact CD2-CG2 4.4Å; L73-F297 HydrophobicContact CD1-CB 3.58Å; L73-F297 HydrophobicContact CD1-CG 4.43Å; L73-F297 HydrophobicContact CD2-CB 4.09Å; L73-F297 HydrophobicContact CG-CB 4.48Å; L73-V298 HydrophobicContact CB-CG1 4.47Å; L73-V298 HydrophobicContact CB-CG2 4.45Å; L73-V298 HydrophobicContact CD1-CB 4.35Å; L73-V298 HydrophobicContact CD1-CG1 3.45Å; L73-V298 VanDerWaalsContact CD1-CG1 3.45Å; L73-V298 HydrophobicContact CD1-CG2 4Å; L73-V298 HydrophobicContact CD2-CG2 4.04Å; L73-V298 HydrophobicContact CG-CG1 4.46Å; L73-V298 HydrophobicContact CG-CG2 4.41Å
74	G	85.5	Confident	83.4	Confident	2 Å²	2	66.1 Å²	66.1	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-20.6	174.4	0	0	0	0	0	115.6	K70 E71 R72 S78 K287	K70-G74 PolarHBondContact O-N 3.28Å; E71-G74 PolarHBondContact O-N 2.97Å; R72-G74 PolarHBondContact O-N 3.49Å; G74-S78 PolarHBondContact O-OG 3.02Å; G74-K287 VanDerWaalsContact CA-CE 3.49Å; G74-K287 PolarHBondContact O-NZ 2.86Å
75	K	85.3	Confident	84.7	Confident	115 Å²	115	67.8 Å²	67.8	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-84.3	-33.1	170.9	-66.9	170.3	-173.7	159.4	0	111.7	E71 R72 L73	E71-K75 PolarHBondContact O-N 2.68Å; E71-K75 WeakPolarHBondContact OE1-CE 3.45Å; E71-K75 IonicContact OE1-NZ 3.25Å; E71-K75 PolarHBondContact OE1-NZ 3.41Å; R72-K75 WeakPolarHBondContact O-CA 3.14Å; R72-K75 WeakPolarHBondContact O-CB 3.5Å; R72-K75 PolarHBondContact O-N 2.89Å; L73-K75 PolarHBondContact O-N 2.96Å; L73-K75 VanDerWaalsContact O-N 3.13Å
76	I	84.8	Confident	85.5	Confident	10 Å²	10	66.8 Å²	66.8	5%	0.051	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-46.2	175.6	-65.5	173.5	0	0	0	109.8	F52 L53 F61 R72 L73 S78 K79 I80 W96	F52-I76 HydrophobicContact CE1-CG2 3.71Å; F52-I76 HydrophobicContact CZ-CG2 3.77Å; L53-I76 HydrophobicContact CD2-CD1 3.43Å; L53-I76 VanDerWaalsContact CD2-CD1 3.43Å; F61-I76 HydrophobicContact CE2-CD1 3.96Å; F61-I76 HydrophobicContact CZ-CD1 3.79Å; R72-I76 PolarHBondContact O-N 2.93Å; L73-I76 WeakPolarHBondContact O-CA 3.18Å; L73-I76 WeakPolarHBondContact O-CB 3.44Å; L73-I76 PolarHBondContact O-N 2.89Å; I76-S78 PolarHBondContact O-N 2.85Å; I76-S78 VanDerWaalsContact O-N 3.14Å; I76-K79 WeakPolarHBondContact O-CA 3.28Å; I76-K79 VanDerWaalsContact O-CB 3.31Å; I76-K79 WeakPolarHBondContact O-CB 3.48Å; I76-K79 PolarHBondContact O-N 2.75Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 WeakPolarHBondContact O-CG1 3.42Å; I76-I80 PolarHBondContact O-N 2.85Å; I76-I80 VanDerWaalsContact O-N 3.1Å; I76-W96 HydrophobicContact CG2-CH2 4.28Å; I76-W96 HydrophobicContact CG2-CZ2 3.58Å
77	V	87.4	Confident	86.4	Confident	7 Å²	7	67 Å²	67	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-50.4	-43.3	175.5	173.5	0	0	0	0	111.8	L73 K79 I80 D81 V88 K287 I290	L73-V77 WeakPolarHBondContact O-CG2 3.4Å; L73-V77 PolarHBondContact O-N 3.38Å; V77-K79 PolarHBondContact O-N 2.75Å; V77-I80 PolarHBondContact O-N 2.89Å; V77-I80 VanDerWaalsContact O-N 3.09Å; V77-D81 PolarHBondContact O-N 3.21Å; V77-V88 HydrophobicContact CG1-CG2 3.91Å; V77-K287 HydrophobicContact CG1-CB 4.06Å; V77-K287 HydrophobicContact CG1-CG 4.28Å; V77-I290 HydrophobicContact CG1-CD1 4.13Å; V77-I290 HydrophobicContact CG2-CB 3.95Å; V77-I290 HydrophobicContact CG2-CD1 3.65Å; V77-I290 HydrophobicContact CG2-CG1 4.39Å; V77-I290 HydrophobicContact CG2-CG2 3.57Å
78	S	86.6	Confident	87.1	Confident	74 Å²	74	60.4 Å²	60.4	52%	0.517	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-12.6	178.2	-56.8	0	0	0	0	115	G74 I76	G74-S78 PolarHBondContact O-OG 3.02Å; I76-S78 PolarHBondContact O-N 2.85Å; I76-S78 VanDerWaalsContact O-N 3.14Å
79	K	87.6	Confident	87.9	Confident	127 Å²	127	58.3 Å²	58.3	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-90.1	-28.7	170	-62.3	177	-178.6	176.6	0	111.8	I76 V77 W96	I76-K79 WeakPolarHBondContact O-CA 3.28Å; I76-K79 VanDerWaalsContact O-CB 3.31Å; I76-K79 WeakPolarHBondContact O-CB 3.48Å; I76-K79 PolarHBondContact O-N 2.75Å; V77-K79 PolarHBondContact O-N 2.75Å; K79-W96 HydrophobicContact CB-CE3 4.42Å; K79-W96 HydrophobicContact CB-CH2 4.16Å; K79-W96 HydrophobicContact CB-CZ3 3.7Å; K79-W96 HydrophobicContact CD-CH2 3.89Å; K79-W96 HydrophobicContact CD-CZ3 4.12Å
80	I	89.2	Confident	88.7	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-74.3	-48.2	179	-59.6	173	0	0	0	110.2	F52 I76 V77 G82 V88 E92 L93 W96	F52-I80 HydrophobicContact CE1-CD1 4.47Å; F52-I80 HydrophobicContact CE2-CD1 3.34Å; F52-I80 HydrophobicContact CZ-CD1 3.32Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 WeakPolarHBondContact O-CG1 3.42Å; I76-I80 PolarHBondContact O-N 2.85Å; I76-I80 VanDerWaalsContact O-N 3.1Å; V77-I80 PolarHBondContact O-N 2.89Å; V77-I80 VanDerWaalsContact O-N 3.09Å; I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.29Å; I80-V88 HydrophobicContact CB-CG2 4.14Å; I80-V88 HydrophobicContact CG2-CB 4.37Å; I80-V88 HydrophobicContact CG2-CG1 3.53Å; I80-V88 HydrophobicContact CG2-CG2 3.95Å; I80-E92 HydrophobicContact CG2-CB 4.08Å; I80-L93 HydrophobicContact CD1-CD1 4.26Å; I80-W96 HydrophobicContact CB-CB 4.47Å; I80-W96 HydrophobicContact CD1-CB 4.42Å; I80-W96 HydrophobicContact CD1-CD2 4.14Å; I80-W96 HydrophobicContact CD1-CG 3.85Å; I80-W96 HydrophobicContact CG1-CB 3.88Å; I80-W96 HydrophobicContact CG1-CD2 3.5Å; I80-W96 HydrophobicContact CG1-CE3 3.87Å; I80-W96 HydrophobicContact CG1-CG 3.48Å; I80-W96 VanDerWaalsContact CG1-CG 3.48Å; I80-W96 HydrophobicContact CG2-CB 4.07Å
81	D	92.5	Very high	89.3	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.102	32%	0.324	C	S	.	.			trans	-62.9	91.6	174.2	176	6.7	0	0	0	109.6	V77 K84 D85 G86 V88	V77-D81 PolarHBondContact O-N 3.21Å; D81-K84 WeakPolarHBondContact OD1-CA 3.05Å; D81-K84 PolarHBondContact OD1-N 2.86Å; D81-K84 WeakPolarHBondContact OD2-CA 3.27Å; D81-D85 PolarHBondContact OD1-N 2.92Å; D81-G86 VanDerWaalsContact OD2-CA 3.26Å; D81-G86 WeakPolarHBondContact OD2-CA 3.41Å; D81-G86 PolarHBondContact OD2-N 3.26Å; D81-V88 HydrophobicContact CB-CG2 4.26Å
82	G	88.8	Confident	89.8	Confident	58 Å²	58	56.3 Å²	56.3	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	-81.9	-34.4	-169.5	0	0	0	0	0	111.6	I80 E92	I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 3.29Å; G82-E92 PolarHBondContact N-OE1 3.14Å
83	D	93.5	Very high	90.3	Very high	109 Å²	109	51.5 Å²	51.5	58%	0.583	29%	0.286	S	S	*	.	S	Bend	trans	-87.6	-12	177.8	80.5	3.3	0	0	0	113.6	D85 E92	D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 VanDerWaalsContact OD1-CB 3.27Å; D83-D85 WeakPolarHBondContact OD1-CB 3.42Å; D83-D85 PolarHBondContact OD1-N 3.03Å; D83-E92 PolarHBondContact N-OE1 2.83Å
84	K	92.4	Very high	90.6	Very high	173 Å²	173	53 Å²	53	75%	0.752	29%	0.292	S	S	*	.			trans	65.4	31.8	176.1	-54.6	179.5	-178.6	177.7	0	112.8	D81	D81-K84 WeakPolarHBondContact OD1-CA 3.05Å; D81-K84 PolarHBondContact OD1-N 2.86Å; D81-K84 WeakPolarHBondContact OD2-CA 3.27Å
85	D	94.5	Very high	90.8	Very high	79 Å²	79	57.7 Å²	57.7	42%	0.422	32%	0.316	S	S	.	.	S	Bend	trans	-79.8	-6.9	175.2	87.4	-11.4	0	0	0	113.1	D81 D83 F87	D81-D85 PolarHBondContact OD1-N 2.92Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 VanDerWaalsContact OD1-CB 3.27Å; D83-D85 WeakPolarHBondContact OD1-CB 3.42Å; D83-D85 PolarHBondContact OD1-N 3.03Å; D85-F87 WeakPolarHBondContact OD1-CA 3.38Å; D85-F87 WeakPolarHBondContact OD1-CB 3.41Å; D85-F87 WeakPolarHBondContact OD1-CD2 3.46Å; D85-F87 PolarHBondContact OD1-N 2.87Å
86	G	93	Very high	90.9	Very high	44 Å²	44	53.1 Å²	53.1	45%	0.454	30%	0.296	S	S	.	.	S	Bend	trans	91	3.7	179.2	0	0	0	0	0	114	D81	D81-G86 VanDerWaalsContact OD2-CA 3.26Å; D81-G86 WeakPolarHBondContact OD2-CA 3.41Å; D81-G86 PolarHBondContact OD2-N 3.26Å
87	F	95.1	Very high	90.8	Very high	59 Å²	59	52.6 Å²	52.6	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	156.3	175.7	-57.2	-90.1	0	0	0	110.4	D85 K284 L285 T286	D85-F87 WeakPolarHBondContact OD1-CA 3.38Å; D85-F87 WeakPolarHBondContact OD1-CB 3.41Å; D85-F87 WeakPolarHBondContact OD1-CD2 3.46Å; D85-F87 PolarHBondContact OD1-N 2.87Å; F87-K284 HydrophobicContact CB-CB 4.32Å; F87-K284 HydrophobicContact CB-CD 3.8Å; F87-K284 HydrophobicContact CB-CG 4.32Å; F87-K284 HydrophobicContact CD1-CD 3.64Å; F87-K284 VanDerWaalsContact CD1-CE 3.46Å; F87-K284 HydrophobicContact CD1-CG 3.96Å; F87-K284 HydrophobicContact CD2-CD 4.38Å; F87-K284 VanDerWaalsContact CD2-NZ 3.28Å; F87-K284 HydrophobicContact CE1-CD 4.3Å; F87-K284 VanDerWaalsContact CE2-NZ 3.29Å; F87-K284 HydrophobicContact CG-CD 3.68Å; F87-K284 HydrophobicContact CG-CG 4.36Å; F87-L285 CarbonylContact C-O 3.51Å; F87-L285 WeakPolarHBondContact CA-O 3.34Å; F87-T286 HydrophobicContact CD1-CG2 3.82Å; F87-T286 HydrophobicContact CE1-CG2 3.65Å
88	V	93.3	Very high	90.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115	171.6	169.3	0	0	0	0	107.8	V77 I80 D81 L93 L285 I290	V77-V88 HydrophobicContact CG1-CG2 3.91Å; I80-V88 HydrophobicContact CB-CG2 4.14Å; I80-V88 HydrophobicContact CG2-CB 4.37Å; I80-V88 HydrophobicContact CG2-CG1 3.53Å; I80-V88 HydrophobicContact CG2-CG2 3.95Å; D81-V88 HydrophobicContact CB-CG2 4.26Å; V88-L93 HydrophobicContact CG1-CB 4.02Å; V88-L93 HydrophobicContact CG1-CD1 4.46Å; V88-L285 HydrophobicContact CB-CB 4.35Å; V88-L285 PolarHBondContact N-O 3.2Å; V88-L285 PolarHBondContact O-N 3.14Å; V88-I290 HydrophobicContact CB-CD1 4.05Å; V88-I290 HydrophobicContact CG1-CD1 4.44Å; V88-I290 HydrophobicContact CG2-CD1 3.94Å
89	T	94.8	Very high	90.3	Very high	47 Å²	47	57.4 Å²	57.4	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	163.5	175.9	61.5	0	0	0	0	111.8	D91 E92 L93	T89-D91 PolarHBondContact O-N 2.97Å; T89-E92 PolarHBondContact N-OE2 3.41Å; T89-E92 PolarHBondContact O-N 2.76Å; T89-E92 WeakPolarHBondContact OG1-CG 3.49Å; T89-E92 PolarHBondContact OG1-N 3.25Å; T89-E92 PolarHBondContact OG1-OE2 3.35Å; T89-L93 WeakPolarHBondContact O-CB 3.49Å; T89-L93 PolarHBondContact O-N 3.14Å
90	V	92.8	Very high	90	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-55	-40.2	173.3	176.8	0	0	0	0	111.2	L93 K94 A270 R271 V274	V90-L93 PolarHBondContact O-N 2.88Å; V90-K94 VanDerWaalsContact O-CB 3.28Å; V90-K94 WeakPolarHBondContact O-CB 3.47Å; V90-K94 PolarHBondContact O-N 2.9Å; V90-A270 HydrophobicContact CG1-CB 4.09Å; V90-A270 WeakPolarHBondContact O-CB 3.43Å; V90-R271 HydrophobicContact CG1-CG 3.77Å; V90-V274 HydrophobicContact CG2-CB 4.13Å; V90-V274 HydrophobicContact CG2-CG1 4.16Å; V90-V274 HydrophobicContact CG2-CG2 3.8Å
91	D	94	Very high	89.3	Confident	93 Å²	93	52.9 Å²	52.9	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-68.7	-41.7	-178.8	-76.5	-44.1	0	0	0	112.2	T89 L93 K94 D95	T89-D91 PolarHBondContact O-N 2.97Å; D91-L93 VanDerWaalsContact C-N 3.35Å; D91-K94 PolarHBondContact O-N 3.04Å; D91-K94 IonicContact OD1-NZ 3.7Å; D91-K94 PolarHBondContact OD1-NZ 2.87Å; D91-D95 WeakPolarHBondContact O-CB 3.49Å; D91-D95 PolarHBondContact O-N 3.3Å
92	E	94.1	Very high	88.7	Confident	26 Å²	26	58.4 Å²	58.4	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-39.9	175	-72.7	169.5	128.5	0	0	112.1	I80 G82 D83 T89 D95 W96	I80-E92 HydrophobicContact CG2-CB 4.08Å; G82-E92 PolarHBondContact N-OE1 3.14Å; D83-E92 PolarHBondContact N-OE1 2.83Å; T89-E92 PolarHBondContact N-OE2 3.41Å; T89-E92 PolarHBondContact O-N 2.76Å; T89-E92 WeakPolarHBondContact OG1-CG 3.49Å; T89-E92 PolarHBondContact OG1-N 3.25Å; T89-E92 PolarHBondContact OG1-OE2 3.35Å; E92-D95 PolarHBondContact O-N 3.36Å; E92-W96 WeakPolarHBondContact O-CB 3.35Å; E92-W96 PolarHBondContact O-N 3.4Å
93	L	89.4	Confident	88.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-41.6	177.3	-171.6	58.5	0	0	0	111.4	F52 I80 V88 T89 V90 D91 W96 I97 A270 L273 V274	F52-L93 HydrophobicContact CD2-CD1 3.77Å; F52-L93 HydrophobicContact CE2-CD1 3.5Å; I80-L93 HydrophobicContact CD1-CD1 4.26Å; V88-L93 HydrophobicContact CG1-CB 4.02Å; V88-L93 HydrophobicContact CG1-CD1 4.46Å; T89-L93 WeakPolarHBondContact O-CB 3.49Å; T89-L93 PolarHBondContact O-N 3.14Å; V90-L93 PolarHBondContact O-N 2.88Å; D91-L93 VanDerWaalsContact C-N 3.35Å; L93-W96 WeakPolarHBondContact O-CB 3.3Å; L93-W96 PolarHBondContact O-N 3.05Å; L93-I97 HydrophobicContact CG-CD1 4.26Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.23Å; L93-I97 PolarHBondContact O-N 3.06Å; L93-A270 HydrophobicContact CB-CB 3.98Å; L93-A270 HydrophobicContact CD2-CB 4.18Å; L93-A270 HydrophobicContact CG-CB 3.96Å; L93-L273 HydrophobicContact CD1-CD1 4.33Å; L93-L273 HydrophobicContact CD2-CB 3.66Å; L93-L273 HydrophobicContact CD2-CD1 3.9Å; L93-L273 HydrophobicContact CD2-CG 4.45Å; L93-L273 HydrophobicContact CG-CD1 4.29Å; L93-V274 HydrophobicContact CD2-CG2 4.03Å
94	K	88.2	Confident	87.5	Confident	30 Å²	30	58.2 Å²	58.2	13%	0.13	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-47.7	172.5	174.8	-175.5	75	-160.6	0	111.5	V90 D91 W96 I97 K98 A266 E267 A270	V90-K94 VanDerWaalsContact O-CB 3.28Å; V90-K94 WeakPolarHBondContact O-CB 3.47Å; V90-K94 PolarHBondContact O-N 2.9Å; D91-K94 PolarHBondContact O-N 3.04Å; D91-K94 IonicContact OD1-NZ 3.7Å; D91-K94 PolarHBondContact OD1-NZ 2.87Å; K94-W96 VanDerWaalsContact C-N 3.27Å; K94-W96 PolarHBondContact O-N 3.4Å; K94-I97 PolarHBondContact O-N 3.23Å; K94-K98 WeakPolarHBondContact O-CG 3.4Å; K94-K98 PolarHBondContact O-N 3.46Å; K94-A266 HydrophobicContact CG-CB 4Å; K94-E267 HydrophobicContact CD-CB 3.72Å; K94-E267 HydrophobicContact CD-CG 4.15Å; K94-E267 HydrophobicContact CG-CB 4.33Å; K94-A270 HydrophobicContact CB-CB 3.96Å
95	D	89.3	Confident	86.8	Confident	101 Å²	101	50.5 Å²	50.5	54%	0.54	25%	0.25	S	C	.	.	H	α-helix	trans	-63.2	-36.4	178.6	-77	-11.2	0	0	0	111.4	D91 E92 F99	D91-D95 WeakPolarHBondContact O-CB 3.49Å; D91-D95 PolarHBondContact O-N 3.3Å; E92-D95 PolarHBondContact O-N 3.36Å; D95-F99 VanDerWaalsContact O-CB 3.31Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.36Å
96	W	88.6	Confident	86.2	Confident	19 Å²	19	53.6 Å²	53.6	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-46.6	173.1	177.2	-99.3	0	0	0	112.7	F52 I76 K79 I80 E92 L93 K94 K98 F99 A100	F52-W96 PolarHBondContact O-NE1 3.35Å; I76-W96 HydrophobicContact CG2-CH2 4.28Å; I76-W96 HydrophobicContact CG2-CZ2 3.58Å; K79-W96 HydrophobicContact CB-CE3 4.42Å; K79-W96 HydrophobicContact CB-CH2 4.16Å; K79-W96 HydrophobicContact CB-CZ3 3.7Å; K79-W96 HydrophobicContact CD-CH2 3.89Å; K79-W96 HydrophobicContact CD-CZ3 4.12Å; I80-W96 HydrophobicContact CB-CB 4.47Å; I80-W96 HydrophobicContact CD1-CB 4.42Å; I80-W96 HydrophobicContact CD1-CD2 4.14Å; I80-W96 HydrophobicContact CD1-CG 3.85Å; I80-W96 HydrophobicContact CG1-CB 3.88Å; I80-W96 HydrophobicContact CG1-CD2 3.5Å; I80-W96 HydrophobicContact CG1-CE3 3.87Å; I80-W96 HydrophobicContact CG1-CG 3.48Å; I80-W96 VanDerWaalsContact CG1-CG 3.48Å; I80-W96 HydrophobicContact CG2-CB 4.07Å; E92-W96 WeakPolarHBondContact O-CB 3.35Å; E92-W96 PolarHBondContact O-N 3.4Å; L93-W96 WeakPolarHBondContact O-CB 3.3Å; L93-W96 PolarHBondContact O-N 3.05Å; K94-W96 VanDerWaalsContact C-N 3.27Å; K94-W96 PolarHBondContact O-N 3.4Å; W96-K98 VanDerWaalsContact C-N 3.33Å; W96-K98 PolarHBondContact O-N 2.84Å; W96-F99 HydrophobicContact CE3-CD1 4.08Å; W96-F99 HydrophobicContact CH2-CD1 4.4Å; W96-F99 HydrophobicContact CH2-CE1 4.37Å; W96-F99 AromaticContact CZ3-CD1 3.92Å; W96-F99 HydrophobicContact CZ3-CD1 3.92Å; W96-F99 HydrophobicContact CZ3-CE1 4.09Å; W96-F99 CarbonylContact O-C 3.51Å; W96-F99 WeakPolarHBondContact O-CA 3.38Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.95Å; W96-F99 VanDerWaalsContact O-N 3.08Å; W96-A100 WeakPolarHBondContact O-CB 3.44Å; W96-A100 PolarHBondContact O-N 3.01Å
97	I	81.2	Confident	85.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-45.3	178	-68.5	164.9	0	0	0	110.1	L34 L93 K94 F99 A100 Q101 A266 E269 A270 L273	L34-I97 HydrophobicContact CD1-CG2 3.84Å; L34-I97 HydrophobicContact CD2-CG2 3.74Å; L34-I97 HydrophobicContact CG-CG2 4.47Å; L93-I97 HydrophobicContact CG-CD1 4.26Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.23Å; L93-I97 PolarHBondContact O-N 3.06Å; K94-I97 PolarHBondContact O-N 3.23Å; I97-F99 VanDerWaalsContact C-N 3.29Å; I97-F99 PolarHBondContact O-N 2.72Å; I97-A100 PolarHBondContact O-N 2.91Å; I97-Q101 WeakPolarHBondContact O-CB 3.41Å; I97-Q101 PolarHBondContact O-N 3.48Å; I97-A266 HydrophobicContact CB-CB 4.05Å; I97-A266 HydrophobicContact CG2-CB 3.72Å; I97-E269 HydrophobicContact CD1-CB 3.98Å; I97-E269 HydrophobicContact CD1-CG 3.97Å; I97-A270 HydrophobicContact CD1-CB 4.11Å; I97-L273 HydrophobicContact CD1-CD1 4.16Å
98	K	82.3	Confident	85	Confident	70 Å²	70	52.5 Å²	52.5	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-38.4	174.1	-70	-174.4	-178.5	-173.8	0	112.5	K94 W96 K102 D264 A266	K94-K98 WeakPolarHBondContact O-CG 3.4Å; K94-K98 PolarHBondContact O-N 3.46Å; W96-K98 VanDerWaalsContact C-N 3.33Å; W96-K98 PolarHBondContact O-N 2.84Å; K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 WeakPolarHBondContact O-CG 3.41Å; K98-K102 PolarHBondContact O-N 3.48Å; K98-K102 VanDerWaalsContact O-N 3.08Å; K98-D264 WeakPolarHBondContact CE-OD1 3.49Å; K98-D264 WeakPolarHBondContact CE-OD2 3.37Å; K98-D264 IonicContact NZ-OD1 3.89Å; K98-D264 PolarHBondContact NZ-OD1 2.63Å; K98-D264 IonicContact NZ-OD2 3.57Å; K98-D264 PolarHBondContact NZ-OD2 2.92Å; K98-A266 HydrophobicContact CD-CB 4.29Å; K98-A266 HydrophobicContact CG-CB 3.54Å
99	F	83	Confident	84.8	Confident	111 Å²	111	52.5 Å²	52.5	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-66.6	-44.5	176.3	172.3	-98.3	0	0	0	111.9	D95 W96 I97 K102 R103	D95-F99 VanDerWaalsContact O-CB 3.31Å; D95-F99 WeakPolarHBondContact O-CB 3.49Å; D95-F99 PolarHBondContact O-N 3.36Å; W96-F99 HydrophobicContact CE3-CD1 4.08Å; W96-F99 HydrophobicContact CH2-CD1 4.4Å; W96-F99 HydrophobicContact CH2-CE1 4.37Å; W96-F99 AromaticContact CZ3-CD1 3.92Å; W96-F99 HydrophobicContact CZ3-CD1 3.92Å; W96-F99 HydrophobicContact CZ3-CE1 4.09Å; W96-F99 CarbonylContact O-C 3.51Å; W96-F99 WeakPolarHBondContact O-CA 3.38Å; W96-F99 WeakPolarHBondContact O-CB 3.27Å; W96-F99 PolarHBondContact O-N 2.95Å; W96-F99 VanDerWaalsContact O-N 3.08Å; I97-F99 VanDerWaalsContact C-N 3.29Å; I97-F99 PolarHBondContact O-N 2.72Å; F99-K102 PolarHBondContact O-N 2.81Å; F99-R103 VanDerWaalsContact O-CB 3.3Å; F99-R103 WeakPolarHBondContact O-CB 3.42Å; F99-R103 PolarHBondContact O-N 3.4Å
100	A	79.5	Confident	84.5	Confident	8 Å²	8	52.8 Å²	52.8	7%	0.066	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-46.2	177.4	0	0	0	0	0	111.2	W96 I97 R103 W104	W96-A100 WeakPolarHBondContact O-CB 3.44Å; W96-A100 PolarHBondContact O-N 3.01Å; I97-A100 PolarHBondContact O-N 2.91Å; A100-R103 WeakPolarHBondContact O-CB 3.43Å; A100-R103 PolarHBondContact O-N 3.16Å; A100-W104 PolarHBondContact O-N 3.47Å
101	Q	74.4	Confident	84.2	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-49.5	176.9	-170.7	-176.8	29.2	0	0	112.1	P32 L34 I97 R103 W104 I105	P32-Q101 VanDerWaalsContact CG-NE2 3.3Å; P32-Q101 PolarHBondContact O-NE2 3.31Å; L34-Q101 HydrophobicContact CD2-CB 4.18Å; L34-Q101 HydrophobicContact CD2-CG 4.09Å; I97-Q101 WeakPolarHBondContact O-CB 3.41Å; I97-Q101 PolarHBondContact O-N 3.48Å; Q101-R103 VanDerWaalsContact C-N 3.28Å; Q101-R103 PolarHBondContact O-N 2.89Å; Q101-W104 WeakPolarHBondContact O-CB 3.3Å; Q101-W104 PolarHBondContact O-N 2.96Å; Q101-W104 VanDerWaalsContact O-N 3.16Å; Q101-I105 HydrophobicContact CG-CD1 4.3Å; Q101-I105 WeakPolarHBondContact O-CG1 3.19Å; Q101-I105 PolarHBondContact O-N 2.96Å
102	K	81.7	Confident	83.9	Confident	135 Å²	135	54.3 Å²	54.3	59%	0.587	24%	0.236	S	C	*	.	H	α-helix	trans	-61.4	-38	176.6	-76.3	-177.6	-178.6	-175.4	0	112.7	K98 F99 Y106	K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 WeakPolarHBondContact O-CG 3.41Å; K98-K102 PolarHBondContact O-N 3.48Å; K98-K102 VanDerWaalsContact O-N 3.08Å; F99-K102 PolarHBondContact O-N 2.81Å; K102-Y106 WeakPolarHBondContact O-CB 2.91Å; K102-Y106 PolarHBondContact O-N 3.4Å
103	R	78.6	Confident	83.8	Confident	88 Å²	88	54 Å²	54	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-66.1	-41.7	176.6	-177.1	173.2	172.6	-149.8	-16.2	110.9	E57 F99 A100 Q101 Y106 E107	E57-R103 IonicContact OE1-CZ 2.7Å; E57-R103 IonicContact OE1-NH1 2.75Å; E57-R103 PolarHBondContact OE1-NH1 2.75Å; E57-R103 IonicContact OE1-NH2 3.41Å; E57-R103 PolarHBondContact OE1-NH2 3.25Å; E57-R103 VanDerWaalsContact OE1-NH2 3.13Å; F99-R103 VanDerWaalsContact O-CB 3.3Å; F99-R103 WeakPolarHBondContact O-CB 3.42Å; F99-R103 PolarHBondContact O-N 3.4Å; A100-R103 WeakPolarHBondContact O-CB 3.43Å; A100-R103 PolarHBondContact O-N 3.16Å; Q101-R103 VanDerWaalsContact C-N 3.28Å; Q101-R103 PolarHBondContact O-N 2.89Å; R103-Y106 PolarHBondContact O-N 3.23Å; R103-E107 HydrophobicContact CG-CG 4.41Å; R103-E107 WeakPolarHBondContact CG-OE1 3.39Å; R103-E107 IonicContact CZ-OE1 2.65Å; R103-E107 IonicContact NE-OE1 2.63Å; R103-E107 PolarHBondContact NE-OE1 2.99Å; R103-E107 IonicContact NH2-OE1 3.61Å; R103-E107 PolarHBondContact NH2-OE1 3.45Å; R103-E107 VanDerWaalsContact NH2-OE1 3.08Å; R103-E107 WeakPolarHBondContact O-CB 3.46Å; R103-E107 VanDerWaalsContact O-CG 3.31Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.48Å
104	W	77.3	Confident	83.8	Confident	76 Å²	76	60.9 Å²	60.9	29%	0.288	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-47.7	174.8	176	86.2	0	0	0	112	A100 Q101 Y106 E107 D108 H181	A100-W104 PolarHBondContact O-N 3.47Å; Q101-W104 WeakPolarHBondContact O-CB 3.3Å; Q101-W104 PolarHBondContact O-N 2.96Å; Q101-W104 VanDerWaalsContact O-N 3.16Å; W104-Y106 VanDerWaalsContact C-N 3.3Å; W104-Y106 PolarHBondContact O-N 3.33Å; W104-E107 PolarHBondContact O-N 3.43Å; W104-E107 VanDerWaalsContact O-N 3.14Å; W104-D108 PolarHBondContact O-N 3.44Å; W104-H181 AromaticContact CH2-CE1 3.68Å; W104-H181 AromaticContact CZ3-CE1 3.36Å; W104-H181 WeakPolarHBondContact CZ3-CE1 3.24Å; W104-H181 AromaticContact CZ3-ND1 3.77Å
105	I	77.5	Confident	83.8	Confident	11 Å²	11	60.6 Å²	60.6	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-53.1	-50.1	174	-73.7	157.1	0	0	0	110.2	Q101 E107 D108 V109 T177 E184	Q101-I105 HydrophobicContact CG-CD1 4.3Å; Q101-I105 WeakPolarHBondContact O-CG1 3.19Å; Q101-I105 PolarHBondContact O-N 2.96Å; I105-E107 PolarHBondContact O-N 2.89Å; I105-D108 PolarHBondContact O-N 3.27Å; I105-V109 HydrophobicContact CG2-CG2 4.42Å; I105-V109 WeakPolarHBondContact O-CB 3.48Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.27Å; I105-T177 HydrophobicContact CG2-CG2 3.73Å; I105-E184 HydrophobicContact CD1-CG 3.58Å
106	Y	82.9	Confident	84	Confident	144 Å²	144	56.2 Å²	56.2	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-62.3	-42	179.8	-177.3	-89.9	0	0	0	112.5	K102 R103 W104 E110	K102-Y106 WeakPolarHBondContact O-CB 2.91Å; K102-Y106 PolarHBondContact O-N 3.4Å; R103-Y106 PolarHBondContact O-N 3.23Å; W104-Y106 VanDerWaalsContact C-N 3.3Å; W104-Y106 PolarHBondContact O-N 3.33Å; Y106-E110 VanDerWaalsContact O-CB 3.27Å; Y106-E110 WeakPolarHBondContact O-CB 3.33Å; Y106-E110 PolarHBondContact O-N 3.13Å
107	E	81.1	Confident	84.2	Confident	62 Å²	62	56.2 Å²	56.2	29%	0.29	25%	0.247	S	C	.	.	H	α-helix	trans	-69.2	-38.1	179.1	-73.3	174.6	-179	0	0	112.2	R103 W104 I105 E110 R111	R103-E107 HydrophobicContact CG-CG 4.41Å; R103-E107 WeakPolarHBondContact CG-OE1 3.39Å; R103-E107 IonicContact CZ-OE1 2.65Å; R103-E107 IonicContact NE-OE1 2.63Å; R103-E107 PolarHBondContact NE-OE1 2.99Å; R103-E107 IonicContact NH2-OE1 3.61Å; R103-E107 PolarHBondContact NH2-OE1 3.45Å; R103-E107 VanDerWaalsContact NH2-OE1 3.08Å; R103-E107 WeakPolarHBondContact O-CB 3.46Å; R103-E107 VanDerWaalsContact O-CG 3.31Å; R103-E107 WeakPolarHBondContact O-CG 3.44Å; R103-E107 PolarHBondContact O-N 3.48Å; W104-E107 PolarHBondContact O-N 3.43Å; W104-E107 VanDerWaalsContact O-N 3.14Å; I105-E107 PolarHBondContact O-N 2.89Å; E107-E110 PolarHBondContact O-N 3.21Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 PolarHBondContact O-N 3.31Å
108	D	80.6	Confident	84.6	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-50.6	171.9	-179.1	42.7	0	0	0	111	W104 I105 E110 R111 Q112 H181	W104-D108 PolarHBondContact O-N 3.44Å; I105-D108 PolarHBondContact O-N 3.27Å; D108-E110 VanDerWaalsContact C-N 3.29Å; D108-E110 PolarHBondContact O-N 3.41Å; D108-R111 WeakPolarHBondContact O-CB 3.44Å; D108-R111 PolarHBondContact O-N 2.9Å; D108-R111 VanDerWaalsContact O-N 3.09Å; D108-R111 IonicContact OD1-CZ 3.81Å; D108-R111 VanDerWaalsContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NE 3.51Å; D108-R111 IonicContact OD1-NH1 2.78Å; D108-R111 IonicContact OD1-NH2 3.36Å; D108-R111 PolarHBondContact OD1-NH2 3.14Å; D108-Q112 WeakPolarHBondContact O-CB 3.47Å; D108-Q112 WeakPolarHBondContact O-CG 3.49Å; D108-Q112 PolarHBondContact O-N 3.38Å; D108-H181 IonicContact OD2-CE1 3.31Å; D108-H181 PolarHBondContact OD2-CE1 3.2Å; D108-H181 IonicContact OD2-NE2 3.76Å; D108-H181 PolarHBondContact OD2-NE2 2.96Å
109	V	88.8	Confident	85.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-55.8	-45.9	175.6	171.5	0	0	0	0	110.6	I105 R111 Q112 W113 F176 T177 L180	I105-V109 HydrophobicContact CG2-CG2 4.42Å; I105-V109 WeakPolarHBondContact O-CB 3.48Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.27Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 3.09Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-W113 WeakPolarHBondContact O-CA 3.43Å; V109-W113 WeakPolarHBondContact O-CB 3.41Å; V109-W113 PolarHBondContact O-N 3.1Å; V109-F176 HydrophobicContact CG1-CD1 4.32Å; V109-T177 HydrophobicContact CG2-CG2 3.89Å; V109-L180 HydrophobicContact CG2-CD1 4.07Å
110	E	88.8	Confident	85.6	Confident	53 Å²	53	65.5 Å²	65.5	25%	0.248	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-39.8	178.8	-177.6	63.8	-163.8	0	0	112.4	Y106 E107 D108 K114 K173	Y106-E110 VanDerWaalsContact O-CB 3.27Å; Y106-E110 WeakPolarHBondContact O-CB 3.33Å; Y106-E110 PolarHBondContact O-N 3.13Å; E107-E110 PolarHBondContact O-N 3.21Å; D108-E110 VanDerWaalsContact C-N 3.29Å; D108-E110 PolarHBondContact O-N 3.41Å; E110-K114 WeakPolarHBondContact O-CG 3.31Å; E110-K114 PolarHBondContact O-N 3.23Å; E110-K114 WeakPolarHBondContact OE1-CE 3.29Å; E110-K114 IonicContact OE1-NZ 3.8Å; E110-K114 PolarHBondContact OE1-NZ 2.79Å; E110-K173 WeakPolarHBondContact OE2-CE 3.39Å; E110-K173 IonicContact OE2-NZ 2.71Å; E110-K173 PolarHBondContact OE2-NZ 3.38Å
111	R	87.6	Confident	86.3	Confident	115 Å²	115	69.3 Å²	69.3	43%	0.434	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-43.8	176.6	179.7	-178.8	64.6	-119.8	10.4	111.7	E107 D108 V109	E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 PolarHBondContact O-N 3.31Å; D108-R111 WeakPolarHBondContact O-CB 3.44Å; D108-R111 PolarHBondContact O-N 2.9Å; D108-R111 VanDerWaalsContact O-N 3.09Å; D108-R111 IonicContact OD1-CZ 3.81Å; D108-R111 VanDerWaalsContact OD1-CZ 3.23Å; D108-R111 IonicContact OD1-NE 3.51Å; D108-R111 IonicContact OD1-NH1 2.78Å; D108-R111 IonicContact OD1-NH2 3.36Å; D108-R111 PolarHBondContact OD1-NH2 3.14Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 3.09Å
112	Q	87.4	Confident	87.2	Confident	42 Å²	42	69.8 Å²	69.8	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-67.7	-43.3	177	-67.4	-68.9	3.4	0	0	110.4	D108 V109 K114 G115 H116 F176 L180	D108-Q112 WeakPolarHBondContact O-CB 3.47Å; D108-Q112 WeakPolarHBondContact O-CG 3.49Å; D108-Q112 PolarHBondContact O-N 3.38Å; V109-Q112 PolarHBondContact O-N 2.89Å; Q112-K114 PolarHBondContact O-N 2.94Å; Q112-G115 WeakPolarHBondContact O-CA 3.15Å; Q112-G115 PolarHBondContact O-N 3.36Å; Q112-H116 PolarHBondContact O-N 3.48Å; Q112-H116 PolarHBondContact O-ND1 3.31Å; Q112-H116 PolarHBondContact OE1-CE1 3Å; Q112-H116 VanDerWaalsContact OE1-CE1 3.29Å; Q112-F176 HydrophobicContact CB-CE1 3.86Å; Q112-F176 HydrophobicContact CB-CZ 4.35Å; Q112-L180 HydrophobicContact CB-CD1 3.68Å; Q112-L180 HydrophobicContact CG-CD1 3.82Å
113	W	90.9	Very high	87.9	Confident	18 Å²	18	66.2 Å²	66.2	7%	0.068	32%	0.319	C	S	.	.	H	α-helix	trans	-52.8	-50.9	-179.6	-168.3	-81.1	0	0	0	112	V109 G115 H116 D117 G122 V124 K173 F176	V109-W113 WeakPolarHBondContact O-CA 3.43Å; V109-W113 WeakPolarHBondContact O-CB 3.41Å; V109-W113 PolarHBondContact O-N 3.1Å; W113-G115 PolarHBondContact O-N 2.88Å; W113-G115 VanDerWaalsContact O-N 3.12Å; W113-H116 PolarHBondContact O-N 3.22Å; W113-D117 PolarHBondContact NE1-OD2 2.74Å; W113-D117 VanDerWaalsContact NE1-OD2 3.15Å; W113-D117 WeakPolarHBondContact O-CB 3.45Å; W113-D117 PolarHBondContact O-N 2.82Å; W113-G122 VanDerWaalsContact CZ2-O 3.3Å; W113-G122 WeakPolarHBondContact CZ2-O 3.45Å; W113-V124 HydrophobicContact CD2-CG2 4.02Å; W113-V124 HydrophobicContact CE3-CG2 3.94Å; W113-V124 HydrophobicContact CH2-CB 4.5Å; W113-V124 HydrophobicContact CH2-CG2 3.94Å; W113-V124 HydrophobicContact CZ2-CG2 4Å; W113-V124 HydrophobicContact CZ3-CG2 3.89Å; W113-K173 HydrophobicContact CD2-CD 3.74Å; W113-K173 HydrophobicContact CE3-CD 3.73Å; W113-K173 HydrophobicContact CE3-CG 4.48Å; W113-K173 HydrophobicContact CG-CD 4.31Å; W113-K173 VanDerWaalsContact CG-NZ 3.3Å; W113-K173 HydrophobicContact CH2-CB 4.33Å; W113-K173 HydrophobicContact CH2-CD 4.33Å; W113-K173 HydrophobicContact CZ2-CD 4.34Å; W113-K173 HydrophobicContact CZ3-CB 4.24Å; W113-K173 HydrophobicContact CZ3-CD 4.04Å; W113-K173 HydrophobicContact CZ3-CG 4.48Å; W113-F176 HydrophobicContact CE3-CB 3.94Å; W113-F176 AromaticContact CE3-CD1 3.59Å; W113-F176 HydrophobicContact CE3-CD1 3.59Å; W113-F176 HydrophobicContact CE3-CE1 4.29Å; W113-F176 AromaticContact CE3-CG 3.92Å; W113-F176 HydrophobicContact CE3-CG 3.92Å; W113-F176 HydrophobicContact CZ3-CB 3.46Å; W113-F176 VanDerWaalsContact CZ3-CB 3.46Å; W113-F176 HydrophobicContact CZ3-CD1 4.01Å; W113-F176 AromaticContact CZ3-CG 3.85Å; W113-F176 HydrophobicContact CZ3-CG 3.85Å
114	K	90.1	Very high	88.7	Confident	146 Å²	146	62 Å²	62	64%	0.635	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-23.8	178.4	-70.8	173.4	-174.8	160.8	0	114.2	E110 Q112	E110-K114 WeakPolarHBondContact O-CG 3.31Å; E110-K114 PolarHBondContact O-N 3.23Å; E110-K114 WeakPolarHBondContact OE1-CE 3.29Å; E110-K114 IonicContact OE1-NZ 3.8Å; E110-K114 PolarHBondContact OE1-NZ 2.79Å; Q112-K114 PolarHBondContact O-N 2.94Å
115	G	89.2	Confident	89.7	Confident	23 Å²	23	59.7 Å²	59.7	24%	0.237	30%	0.298	C	S	.	.	H	α-helix	trans	-86.9	-14.8	177.6	0	0	0	0	0	114	Q112 W113	Q112-G115 WeakPolarHBondContact O-CA 3.15Å; Q112-G115 PolarHBondContact O-N 3.36Å; W113-G115 PolarHBondContact O-N 2.88Å; W113-G115 VanDerWaalsContact O-N 3.12Å
116	H	92.3	Very high	90.5	Very high	9 Å²	9	59.6 Å²	59.6	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-116.9	-32.2	-172	-65.9	98.9	0	0	0	112.9	Q112 W113 L118 V124 E128 Y129 T133 F176	Q112-H116 PolarHBondContact O-N 3.48Å; Q112-H116 PolarHBondContact O-ND1 3.31Å; Q112-H116 PolarHBondContact OE1-CE1 3Å; Q112-H116 VanDerWaalsContact OE1-CE1 3.29Å; W113-H116 PolarHBondContact O-N 3.22Å; H116-L118 PolarHBondContact O-N 3.48Å; H116-V124 HydrophobicContact CB-CG1 3.81Å; H116-V124 HydrophobicContact CB-CG2 4.12Å; H116-E128 WeakPolarHBondContact O-CB 3.38Å; H116-Y129 AromaticContact CD2-CD2 3.51Å; H116-Y129 AromaticContact NE2-CD2 3.61Å; H116-Y129 AromaticContact NE2-CE2 3.64Å; H116-T133 PolarHBondContact NE2-OG1 3.43Å; H116-F176 HydrophobicContact CB-CZ 4.33Å; H116-F176 AromaticContact ND1-CZ 3.89Å
117	D	93.5	Very high	91.1	Very high	20 Å²	20	57.4 Å²	57.4	11%	0.107	29%	0.292	C	S	.	.			trans	-75.5	75.1	171.4	-177.6	-1.7	0	0	0	109.7	W113 N119 E120 D121 G122 V124	W113-D117 PolarHBondContact NE1-OD2 2.74Å; W113-D117 VanDerWaalsContact NE1-OD2 3.15Å; W113-D117 WeakPolarHBondContact O-CB 3.45Å; W113-D117 PolarHBondContact O-N 2.82Å; D117-N119 VanDerWaalsContact C-N 3.34Å; D117-N119 PolarHBondContact OD1-OD1 3.21Å; D117-E120 WeakPolarHBondContact OD1-CA 3.39Å; D117-E120 PolarHBondContact OD1-N 3.2Å; D117-D121 PolarHBondContact OD1-N 3.28Å; D117-G122 VanDerWaalsContact OD2-CA 3.32Å; D117-G122 WeakPolarHBondContact OD2-CA 3.43Å; D117-G122 PolarHBondContact OD2-N 3.05Å; D117-G122 VanDerWaalsContact OD2-N 3.14Å; D117-V124 HydrophobicContact CB-CG2 4.09Å
118	L	89	Confident	91.7	Very high	112 Å²	112	55.4 Å²	55.4	59%	0.586	28%	0.283	S	S	*	.			trans	-76.4	-23.8	-172.8	-64.3	179.8	0	0	0	112.8	H116	H116-L118 PolarHBondContact O-N 3.48Å
119	N	93.1	Very high	92.4	Very high	88 Å²	88	55.6 Å²	55.6	47%	0.471	28%	0.282	S	S	.	.	S	Bend	trans	-94.3	-7.4	-179.7	71.5	22.2	0	0	0	112.9	D117 D121 E128	D117-N119 VanDerWaalsContact C-N 3.34Å; D117-N119 PolarHBondContact OD1-OD1 3.21Å; N119-D121 VanDerWaalsContact C-N 3.3Å; N119-D121 PolarHBondContact ND2-OD2 2.82Å; N119-D121 PolarHBondContact O-N 2.88Å; N119-D121 WeakPolarHBondContact OD1-CB 3.31Å; N119-D121 PolarHBondContact OD1-N 2.89Å; N119-D121 PolarHBondContact OD1-OD1 3.02Å; N119-D121 PolarHBondContact OD1-OD2 2.78Å; N119-E128 PolarHBondContact ND2-OE1 2.72Å
120	E	92.8	Very high	92.5	Very high	175 Å²	175	57.7 Å²	57.7	82%	0.818	29%	0.291	S	S	*	.			trans	59.3	32.5	-178.6	-56.7	-178.1	175.7	0	0	113.9	D117 G122	D117-E120 WeakPolarHBondContact OD1-CA 3.39Å; D117-E120 PolarHBondContact OD1-N 3.2Å; E120-G122 VanDerWaalsContact C-N 3.31Å
121	D	94.4	Very high	92.5	Very high	88 Å²	88	59.1 Å²	59.1	47%	0.471	30%	0.301	S	S	.	.	S	Bend	trans	-85.1	-5.6	177.6	73	14	0	0	0	113.5	D117 N119 L123	D117-D121 PolarHBondContact OD1-N 3.28Å; N119-D121 VanDerWaalsContact C-N 3.3Å; N119-D121 PolarHBondContact ND2-OD2 2.82Å; N119-D121 PolarHBondContact O-N 2.88Å; N119-D121 WeakPolarHBondContact OD1-CB 3.31Å; N119-D121 PolarHBondContact OD1-N 2.89Å; N119-D121 PolarHBondContact OD1-OD1 3.02Å; N119-D121 PolarHBondContact OD1-OD2 2.78Å; D121-L123 WeakPolarHBondContact OD1-CA 3.31Å; D121-L123 WeakPolarHBondContact OD1-CB 3.34Å; D121-L123 PolarHBondContact OD1-N 3.29Å
122	G	93.7	Very high	92.6	Very high	43 Å²	43	55.4 Å²	55.4	44%	0.443	29%	0.294	S	S	.	.	S	Bend	trans	80.6	19.4	179.8	0	0	0	0	0	113.2	W113 D117 E120	W113-G122 VanDerWaalsContact CZ2-O 3.3Å; W113-G122 WeakPolarHBondContact CZ2-O 3.45Å; D117-G122 VanDerWaalsContact OD2-CA 3.32Å; D117-G122 WeakPolarHBondContact OD2-CA 3.43Å; D117-G122 PolarHBondContact OD2-N 3.05Å; D117-G122 VanDerWaalsContact OD2-N 3.14Å; E120-G122 VanDerWaalsContact C-N 3.31Å
123	L	96	Very high	92.6	Very high	60 Å²	60	54.2 Å²	54.2	31%	0.314	29%	0.29	S	S	.	.			trans	-133.3	167.3	171	-58.1	168.8	0	0	0	110	D121 I170 T172	D121-L123 WeakPolarHBondContact OD1-CA 3.31Å; D121-L123 WeakPolarHBondContact OD1-CB 3.34Å; D121-L123 PolarHBondContact OD1-N 3.29Å; L123-I170 HydrophobicContact CB-CG2 3.5Å; L123-I170 HydrophobicContact CD1-CG2 3.66Å; L123-I170 HydrophobicContact CG-CG2 4.08Å; L123-T172 HydrophobicContact CD2-CG2 4.05Å
124	V	96.5	Very high	92.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	111.2	172.7	176.5	0	0	0	0	109	W113 H116 D117 F160 A171 F176	W113-V124 HydrophobicContact CD2-CG2 4.02Å; W113-V124 HydrophobicContact CE3-CG2 3.94Å; W113-V124 HydrophobicContact CH2-CB 4.5Å; W113-V124 HydrophobicContact CH2-CG2 3.94Å; W113-V124 HydrophobicContact CZ2-CG2 4Å; W113-V124 HydrophobicContact CZ3-CG2 3.89Å; H116-V124 HydrophobicContact CB-CG1 3.81Å; H116-V124 HydrophobicContact CB-CG2 4.12Å; D117-V124 HydrophobicContact CB-CG2 4.09Å; V124-F160 WeakPolarHBondContact O-CZ 3.34Å; V124-A171 PolarHBondContact N-O 2.99Å; V124-A171 PolarHBondContact O-N 3Å; V124-F176 HydrophobicContact CB-CD2 4.18Å; V124-F176 HydrophobicContact CB-CE2 4.32Å; V124-F176 HydrophobicContact CG1-CD2 4.12Å; V124-F176 HydrophobicContact CG1-CE2 3.82Å
125	S	97	Very high	92	Very high	26 Å²	26	48 Å²	48	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	155.5	172.9	65.4	0	0	0	0	112.5	E127 E128 Y129 L169	S125-E127 PolarHBondContact O-N 3.24Å; S125-E128 WeakPolarHBondContact CB-OE2 3.43Å; S125-E128 PolarHBondContact N-OE2 2.67Å; S125-E128 WeakPolarHBondContact O-CB 3.25Å; S125-E128 PolarHBondContact O-N 3.31Å; S125-E128 VanDerWaalsContact O-N 3.11Å; S125-E128 WeakPolarHBondContact OG-CB 3.41Å; S125-E128 VanDerWaalsContact OG-CG 3.3Å; S125-E128 WeakPolarHBondContact OG-CG 3.15Å; S125-E128 PolarHBondContact OG-N 3.13Å; S125-E128 PolarHBondContact OG-OE2 3.01Å; S125-Y129 PolarHBondContact O-N 3.17Å; S125-L169 CarbonylContact C-O 3.59Å; S125-L169 WeakPolarHBondContact CA-O 3.48Å
126	W	95.9	Very high	91.2	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.038	28%	0.278	C	S	.	.	H	α-helix	trans	-55.3	-38.9	171.7	171.3	-114.2	0	0	0	112.1	Y129 K130 M153 D156 E157 F160 L169	W126-Y129 HydrophobicContact CE3-CD1 4.04Å; W126-Y129 HydrophobicContact CH2-CD1 4.28Å; W126-Y129 AromaticContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CE1 4.1Å; W126-Y129 PolarHBondContact O-N 2.94Å; W126-K130 HydrophobicContact CZ2-CB 4.21Å; W126-K130 HydrophobicContact CZ2-CD 4.33Å; W126-K130 HydrophobicContact CZ2-CG 4.48Å; W126-K130 WeakPolarHBondContact O-CB 3.47Å; W126-K130 PolarHBondContact O-N 3.22Å; W126-M153 HydrophobicContact CH2-CG 4.23Å; W126-M153 HydrophobicContact CZ2-CG 3.93Å; W126-D156 HydrophobicContact CH2-CB 3.98Å; W126-D156 HydrophobicContact CZ3-CB 4.11Å; W126-E157 HydrophobicContact CD2-CG 4.18Å; W126-E157 HydrophobicContact CH2-CB 3.56Å; W126-E157 HydrophobicContact CH2-CG 4.24Å; W126-E157 VanDerWaalsContact CH2-N 3.27Å; W126-E157 HydrophobicContact CZ2-CB 3.39Å; W126-E157 HydrophobicContact CZ2-CG 3.7Å; W126-E157 HydrophobicContact CZ3-CB 4.18Å; W126-F160 HydrophobicContact CB-CD1 4.21Å; W126-F160 HydrophobicContact CB-CE1 4.06Å; W126-F160 HydrophobicContact CB-CZ 4.38Å; W126-F160 HydrophobicContact CE3-CB 3.85Å; W126-F160 HydrophobicContact CE3-CD1 4.36Å; W126-F160 AromaticContact CE3-CD2 3.94Å; W126-F160 HydrophobicContact CE3-CD2 3.94Å; W126-F160 AromaticContact CE3-CG 3.79Å; W126-F160 HydrophobicContact CE3-CG 3.79Å; W126-F160 HydrophobicContact CZ3-CB 4.11Å; W126-F160 HydrophobicContact CZ3-CG 4.45Å; W126-L169 HydrophobicContact CB-CB 4.24Å; W126-L169 PolarHBondContact N-O 2.93Å
127	E	94	Very high	90.1	Very high	97 Å²	97	51.4 Å²	51.4	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-35.5	178.4	-73.1	-62	149.6	0	0	112.3	S125 K130 N131	S125-E127 PolarHBondContact O-N 3.24Å; E127-K130 IonicContact OE1-NZ 2.76Å; E127-K130 IonicContact OE2-NZ 2.82Å; E127-N131 VanDerWaalsContact O-CB 3.23Å; E127-N131 WeakPolarHBondContact O-CB 3.1Å; E127-N131 PolarHBondContact O-N 3.16Å; E127-N131 PolarHBondContact O-ND2 3.04Å
128	E	94.7	Very high	88.9	Confident	20 Å²	20	54.2 Å²	54.2	9%	0.093	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-48.1	171.7	-80.3	164.1	142.9	0	0	111.7	H116 N119 S125 K130 N131 A132	H116-E128 WeakPolarHBondContact O-CB 3.38Å; N119-E128 PolarHBondContact ND2-OE1 2.72Å; S125-E128 WeakPolarHBondContact CB-OE2 3.43Å; S125-E128 PolarHBondContact N-OE2 2.67Å; S125-E128 WeakPolarHBondContact O-CB 3.25Å; S125-E128 PolarHBondContact O-N 3.31Å; S125-E128 VanDerWaalsContact O-N 3.11Å; S125-E128 WeakPolarHBondContact OG-CB 3.41Å; S125-E128 VanDerWaalsContact OG-CG 3.3Å; S125-E128 WeakPolarHBondContact OG-CG 3.15Å; S125-E128 PolarHBondContact OG-N 3.13Å; S125-E128 PolarHBondContact OG-OE2 3.01Å; E128-K130 VanDerWaalsContact C-N 3.34Å; E128-K130 PolarHBondContact O-N 2.83Å; E128-N131 PolarHBondContact O-N 3.24Å; E128-A132 VanDerWaalsContact O-CB 3.3Å; E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 3.34Å
129	Y	94.1	Very high	87.8	Confident	22 Å²	22	56.3 Å²	56.3	9%	0.086	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-50.6	176.9	-177.1	-96.8	0	0	0	111.5	H116 S125 W126 N131 A132 T133 Y134 D156 F176 F179	H116-Y129 AromaticContact CD2-CD2 3.51Å; H116-Y129 AromaticContact NE2-CD2 3.61Å; H116-Y129 AromaticContact NE2-CE2 3.64Å; S125-Y129 PolarHBondContact O-N 3.17Å; W126-Y129 HydrophobicContact CE3-CD1 4.04Å; W126-Y129 HydrophobicContact CH2-CD1 4.28Å; W126-Y129 AromaticContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CE1 4.1Å; W126-Y129 PolarHBondContact O-N 2.94Å; Y129-N131 PolarHBondContact O-N 3.09Å; Y129-A132 PolarHBondContact O-N 2.91Å; Y129-T133 HydrophobicContact CE1-CG2 4.46Å; Y129-T133 VanDerWaalsContact O-CB 3.22Å; Y129-T133 WeakPolarHBondContact O-CB 3.08Å; Y129-T133 PolarHBondContact O-N 3.32Å; Y129-T133 PolarHBondContact O-OG1 2.91Å; Y129-Y134 HydrophobicContact CE1-CE2 4.24Å; Y129-D156 HydrophobicContact CE1-CB 4.17Å; Y129-D156 PolarHBondContact OH-OD2 3.44Å; Y129-F176 AromaticContact CD2-CE2 3.89Å; Y129-F176 HydrophobicContact CD2-CE2 3.89Å; Y129-F176 HydrophobicContact CD2-CZ 4.23Å; Y129-F176 HydrophobicContact CE2-CE2 4.38Å; Y129-F176 HydrophobicContact CE2-CZ 4.48Å; Y129-F179 HydrophobicContact CD1-CE1 4.44Å; Y129-F179 HydrophobicContact CD1-CZ 4.26Å; Y129-F179 AromaticContact CD2-CE1 3.96Å; Y129-F179 HydrophobicContact CD2-CE1 3.96Å; Y129-F179 AromaticContact CE1-CE1 3.99Å; Y129-F179 HydrophobicContact CE1-CE1 3.99Å; Y129-F179 AromaticContact CE1-CZ 3.64Å; Y129-F179 HydrophobicContact CE1-CZ 3.64Å; Y129-F179 AromaticContact CE2-CE1 3.47Å; Y129-F179 HydrophobicContact CE2-CE1 3.47Å; Y129-F179 VanDerWaalsContact CE2-CE1 3.47Å; Y129-F179 HydrophobicContact CE2-CZ 4Å; Y129-F179 HydrophobicContact CG-CE1 4.42Å; Y129-F179 AromaticContact CZ-CE1 3.47Å; Y129-F179 VanDerWaalsContact CZ-CE1 3.47Å; Y129-F179 AromaticContact CZ-CZ 3.49Å; Y129-F179 VanDerWaalsContact CZ-CZ 3.49Å
130	K	91.7	Very high	86.5	Confident	44 Å²	44	57.2 Å²	57.2	19%	0.191	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-44.9	-179.7	176.7	-177.2	162.4	-161.6	0	112.1	W126 E127 E128 Y134 G135 M153	W126-K130 HydrophobicContact CZ2-CB 4.21Å; W126-K130 HydrophobicContact CZ2-CD 4.33Å; W126-K130 HydrophobicContact CZ2-CG 4.48Å; W126-K130 WeakPolarHBondContact O-CB 3.47Å; W126-K130 PolarHBondContact O-N 3.22Å; E127-K130 IonicContact OE1-NZ 2.76Å; E127-K130 IonicContact OE2-NZ 2.82Å; E128-K130 VanDerWaalsContact C-N 3.34Å; E128-K130 PolarHBondContact O-N 2.83Å; K130-Y134 WeakPolarHBondContact O-CA 3.39Å; K130-Y134 VanDerWaalsContact O-CB 3.31Å; K130-Y134 WeakPolarHBondContact O-CB 3.43Å; K130-Y134 PolarHBondContact O-N 3.48Å; K130-G135 PolarHBondContact O-N 2.92Å; K130-M153 HydrophobicContact CD-SD 3.96Å; K130-M153 HydrophobicContact CG-SD 3.98Å
131	N	89.3	Confident	85	Confident	84 Å²	84	54.2 Å²	54.2	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-70.2	-39.4	-179.4	-73.9	-38.8	0	0	0	112.1	E127 E128 Y129 G135	E127-N131 VanDerWaalsContact O-CB 3.23Å; E127-N131 WeakPolarHBondContact O-CB 3.1Å; E127-N131 PolarHBondContact O-N 3.16Å; E127-N131 PolarHBondContact O-ND2 3.04Å; E128-N131 PolarHBondContact O-N 3.24Å; Y129-N131 PolarHBondContact O-N 3.09Å; N131-G135 VanDerWaalsContact O-CA 3.23Å; N131-G135 WeakPolarHBondContact O-CA 3.45Å; N131-G135 PolarHBondContact O-N 2.8Å
132	A	89.9	Confident	83.6	Confident	36 Å²	36	52.8 Å²	52.8	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-69	-36.6	177.2	0	0	0	0	0	112.5	E128 Y129	E128-A132 VanDerWaalsContact O-CB 3.3Å; E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 3.34Å; Y129-A132 PolarHBondContact O-N 2.91Å
133	T	87.6	Confident	82.1	Confident	17 Å²	17	52.8 Å²	52.8	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-88.6	-40.9	-176.1	-55.7	0	0	0	0	113.2	H116 Y129 Y136	H116-T133 PolarHBondContact NE2-OG1 3.43Å; Y129-T133 HydrophobicContact CE1-CG2 4.46Å; Y129-T133 VanDerWaalsContact O-CB 3.22Å; Y129-T133 WeakPolarHBondContact O-CB 3.08Å; Y129-T133 PolarHBondContact O-N 3.32Å; Y129-T133 PolarHBondContact O-OG1 2.91Å; T133-Y136 WeakPolarHBondContact O-CE1 3.31Å; T133-Y136 PolarHBondContact O-OH 3.29Å
134	Y	86.7	Confident	80.4	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	32%	0.323	C	S	.	.	H	α-helix	trans	-119.1	-7.8	-170.6	-59.3	-73	0	0	0	114.2	Y129 K130 Y136 V137 L138 M152 M153 D156	Y129-Y134 HydrophobicContact CE1-CE2 4.24Å; K130-Y134 WeakPolarHBondContact O-CA 3.39Å; K130-Y134 VanDerWaalsContact O-CB 3.31Å; K130-Y134 WeakPolarHBondContact O-CB 3.43Å; K130-Y134 PolarHBondContact O-N 3.48Å; Y134-Y136 PolarHBondContact O-N 3.33Å; Y134-V137 PolarHBondContact O-N 3.5Å; Y134-L138 WeakPolarHBondContact O-CG 3.48Å; Y134-L138 PolarHBondContact O-N 2.91Å; Y134-M152 HydrophobicContact CE1-CB 4.26Å; Y134-M153 HydrophobicContact CD1-CB 4.4Å; Y134-M153 HydrophobicContact CD2-CB 4.15Å; Y134-M153 HydrophobicContact CD2-CG 3.97Å; Y134-M153 HydrophobicContact CE1-CB 4.24Å; Y134-M153 HydrophobicContact CE2-CB 4Å; Y134-M153 HydrophobicContact CE2-CG 4.1Å; Y134-M153 HydrophobicContact CG-CB 4.36Å; Y134-M153 HydrophobicContact CG-CG 4.44Å; Y134-D156 PolarHBondContact OH-OD2 2.97Å
135	G	81.1	Confident	78.7	Confident	32 Å²	32	64.4 Å²	64.4	33%	0.33	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.3	-170.8	0	0	0	0	0	114.9	K130 N131	K130-G135 PolarHBondContact O-N 2.92Å; N131-G135 VanDerWaalsContact O-CA 3.23Å; N131-G135 WeakPolarHBondContact O-CA 3.45Å; N131-G135 PolarHBondContact O-N 2.8Å
136	Y	71.8	Confident	76.8	Confident	89 Å²	89	66.4 Å²	66.4	35%	0.349	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-14.4	177.3	59.1	-86.4	0	0	0	114.2	T133 Y134	T133-Y136 WeakPolarHBondContact O-CE1 3.31Å; T133-Y136 PolarHBondContact O-OH 3.29Å; Y134-Y136 PolarHBondContact O-N 3.33Å
137	V	69.6	Low	75.1	Confident	14 Å²	14	68.4 Å²	68.4	9%	0.085	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-18.1	-176.2	-160	0	0	0	0	112.8	Y134 D139 D140 Y149	Y134-V137 PolarHBondContact O-N 3.5Å; V137-D139 PolarHBondContact O-N 3.39Å; V137-D139 VanDerWaalsContact O-N 3.12Å; V137-D140 PolarHBondContact O-N 3.31Å; V137-D140 VanDerWaalsContact O-N 3.08Å; V137-Y149 HydrophobicContact CB-CD1 4.29Å; V137-Y149 HydrophobicContact CB-CD2 4.46Å; V137-Y149 HydrophobicContact CB-CG 4.21Å; V137-Y149 HydrophobicContact CG1-CD1 3.95Å; V137-Y149 HydrophobicContact CG1-CD2 3.32Å; V137-Y149 HydrophobicContact CG1-CE1 4.21Å; V137-Y149 HydrophobicContact CG1-CE2 3.58Å; V137-Y149 HydrophobicContact CG1-CG 3.49Å; V137-Y149 VanDerWaalsContact CG1-CG 3.49Å; V137-Y149 HydrophobicContact CG2-CD1 4.05Å; V137-Y149 HydrophobicContact CG2-CE1 3.95Å; V137-Y149 HydrophobicContact CG2-CG 4.43Å
138	L	67.5	Low	74.1	Confident	80 Å²	80	66.2 Å²	66.2	42%	0.419	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	-178	-72.7	171.7	0	0	0	113.6	Y134 M153	Y134-L138 WeakPolarHBondContact O-CG 3.48Å; Y134-L138 PolarHBondContact O-N 2.91Å; L138-M153 HydrophobicContact CD2-CE 4.31Å; L138-M153 HydrophobicContact CD2-SD 3.89Å
139	D	67	Low	73.2	Confident	155 Å²	155	68 Å²	68	83%	0.829	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-11.3	179.9	-71.8	-29.6	0	0	0	113.7	V137	V137-D139 PolarHBondContact O-N 3.39Å; V137-D139 VanDerWaalsContact O-N 3.12Å
140	D	65.5	Low	72.5	Confident	107 Å²	107	72.5 Å²	72.5	57%	0.572	41%	0.405	S	S	*	.	S	Bend	trans	-94.2	142.1	-179.7	-90.3	-25.7	0	0	0	111.4	V137	V137-D140 PolarHBondContact O-N 3.31Å; V137-D140 VanDerWaalsContact O-N 3.08Å
141	P	61.3	Low	72	Confident	112 Å²	112	76.8 Å²	76.8	73%	0.727	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-61.8	140.4	172.4	25.4	-31.1	0	0	0	110
142	D	65.2	Low	71.7	Confident	59 Å²	59	75.1 Å²	75.1	32%	0.316	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-51.2	132.1	179.6	-62.8	-57	0	0	0	109.7	K150	D142-K150 IonicContact OD1-NZ 3.92Å; D142-K150 IonicContact OD2-NZ 3.84Å; D142-K150 PolarHBondContact OD2-NZ 2.96Å
143	P	62.3	Low	71.6	Confident	42 Å²	42	74.9 Å²	74.9	27%	0.273	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-62.1	145.6	-175.7	26.9	-37.1	0	0	0	111.9	D145 G146 F147 Y149	P143-D145 WeakPolarHBondContact CB-OD1 3.14Å; P143-D145 VanDerWaalsContact CG-OD1 3.23Å; P143-D145 WeakPolarHBondContact CG-OD1 3.32Å; P143-D145 PolarHBondContact O-N 3.4Å; P143-G146 PolarHBondContact O-N 2.86Å; P143-F147 WeakPolarHBondContact CD-O 3.23Å; P143-F147 HydrophobicContact CG-CB 3.99Å; P143-F147 VanDerWaalsContact CG-O 3.32Å; P143-F147 WeakPolarHBondContact CG-O 3.39Å; P143-Y149 HydrophobicContact CG-CD2 4.18Å; P143-Y149 HydrophobicContact CG-CE2 3.67Å
144	D	58.7	Low	71.7	Confident	182 Å²	182	78.2 Å²	78.2	97%	0.973	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.7	179.2	-80.4	-32.6	0	0	0	113.4	G146	D144-G146 PolarHBondContact O-N 2.91Å
145	D	62.2	Low	71.9	Confident	122 Å²	122	80.5 Å²	80.5	65%	0.652	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	2.7	179.5	71	-6.1	0	0	0	113.8	P143 F147	P143-D145 WeakPolarHBondContact CB-OD1 3.14Å; P143-D145 VanDerWaalsContact CG-OD1 3.23Å; P143-D145 WeakPolarHBondContact CG-OD1 3.32Å; P143-D145 PolarHBondContact O-N 3.4Å; D145-F147 VanDerWaalsContact C-N 3.31Å; D145-F147 WeakPolarHBondContact OD1-CB 3.33Å; D145-F147 PolarHBondContact OD1-N 2.89Å
146	G	56.4	Low	72.5	Confident	68 Å²	68	79.9 Å²	79.9	70%	0.701	43%	0.427	S	S	*	.	S	Bend	trans	83.1	3.5	179.1	0	0	0	0	0	114.1	P143 D144 N148	P143-G146 PolarHBondContact O-N 2.86Å; D144-G146 PolarHBondContact O-N 2.91Å; G146-N148 PolarHBondContact O-N 3.06Å
147	F	59.9	Low	73.6	Confident	52 Å²	52	78.2 Å²	78.2	23%	0.228	42%	0.422	C	S	.	.			trans	-77.5	104.4	176.1	-150	-99.6	0	0	0	110.4	K24 P143 D145 Y149 M152	K24-F147 HydrophobicContact CG-CE2 4.27Å; K24-F147 HydrophobicContact CG-CZ 4.5Å; P143-F147 WeakPolarHBondContact CD-O 3.23Å; P143-F147 HydrophobicContact CG-CB 3.99Å; P143-F147 VanDerWaalsContact CG-O 3.32Å; P143-F147 WeakPolarHBondContact CG-O 3.39Å; D145-F147 VanDerWaalsContact C-N 3.31Å; D145-F147 WeakPolarHBondContact OD1-CB 3.33Å; D145-F147 PolarHBondContact OD1-N 2.89Å; F147-Y149 HydrophobicContact CD1-CD1 4.31Å; F147-Y149 HydrophobicContact CD1-CD2 4.42Å; F147-Y149 AromaticContact CD1-CE1 3.96Å; F147-Y149 HydrophobicContact CD1-CE1 3.96Å; F147-Y149 HydrophobicContact CD1-CE2 4.12Å; F147-Y149 AromaticContact CD1-CZ 3.88Å; F147-Y149 HydrophobicContact CE1-CD1 4.39Å; F147-Y149 HydrophobicContact CE1-CE1 4.01Å; F147-Y149 PolarHBondContact O-N 2.88Å; F147-M152 HydrophobicContact CD1-SD 4.13Å; F147-M152 HydrophobicContact CE1-CE 4.36Å; F147-M152 HydrophobicContact CE1-SD 3.22Å; F147-M152 WeakPolarHBondContact CE1-SD 3.29Å; F147-M152 HydrophobicContact CE2-SD 4.37Å; F147-M152 HydrophobicContact CZ-CE 4.18Å; F147-M152 HydrophobicContact CZ-SD 3.37Å; F147-M152 WeakPolarHBondContact CZ-SD 3.49Å
148	N	74.4	Confident	74.8	Confident	52 Å²	52	80.7 Å²	80.7	28%	0.278	43%	0.43	S	S	.	.			trans	-95.6	91.7	-175	-171.4	-20.1	0	0	0	111.5	G146 K150 Q151 M152	G146-N148 PolarHBondContact O-N 3.06Å; N148-K150 PolarHBondContact O-N 2.92Å; N148-K150 WeakPolarHBondContact OD1-CB 3.35Å; N148-K150 PolarHBondContact OD1-N 2.77Å; N148-Q151 HydrophobicContact CB-CB 4.1Å; N148-Q151 HydrophobicContact CB-CG 4.17Å; N148-Q151 VanDerWaalsContact CB-OE1 3.24Å; N148-Q151 WeakPolarHBondContact ND2-CG 3.21Å; N148-Q151 PolarHBondContact ND2-OE1 2.9Å; N148-Q151 VanDerWaalsContact ND2-OE1 3.17Å; N148-Q151 WeakPolarHBondContact O-CB 3.43Å; N148-Q151 PolarHBondContact O-N 2.81Å; N148-Q151 PolarHBondContact OD1-N 3.06Å; N148-M152 PolarHBondContact O-N 2.71Å
149	Y	75	Confident	76.1	Confident	58 Å²	58	77.2 Å²	77.2	23%	0.227	41%	0.412	C	S	.	.	H	α-helix	trans	-57	-31.3	179.2	-70.2	-82.3	0	0	0	113.4	V137 P143 F147 M152 M153	V137-Y149 HydrophobicContact CB-CD1 4.29Å; V137-Y149 HydrophobicContact CB-CD2 4.46Å; V137-Y149 HydrophobicContact CB-CG 4.21Å; V137-Y149 HydrophobicContact CG1-CD1 3.95Å; V137-Y149 HydrophobicContact CG1-CD2 3.32Å; V137-Y149 HydrophobicContact CG1-CE1 4.21Å; V137-Y149 HydrophobicContact CG1-CE2 3.58Å; V137-Y149 HydrophobicContact CG1-CG 3.49Å; V137-Y149 VanDerWaalsContact CG1-CG 3.49Å; V137-Y149 HydrophobicContact CG2-CD1 4.05Å; V137-Y149 HydrophobicContact CG2-CE1 3.95Å; V137-Y149 HydrophobicContact CG2-CG 4.43Å; P143-Y149 HydrophobicContact CG-CD2 4.18Å; P143-Y149 HydrophobicContact CG-CE2 3.67Å; F147-Y149 HydrophobicContact CD1-CD1 4.31Å; F147-Y149 HydrophobicContact CD1-CD2 4.42Å; F147-Y149 AromaticContact CD1-CE1 3.96Å; F147-Y149 HydrophobicContact CD1-CE1 3.96Å; F147-Y149 HydrophobicContact CD1-CE2 4.12Å; F147-Y149 AromaticContact CD1-CZ 3.88Å; F147-Y149 HydrophobicContact CE1-CD1 4.39Å; F147-Y149 HydrophobicContact CE1-CE1 4.01Å; F147-Y149 PolarHBondContact O-N 2.88Å; Y149-M152 PolarHBondContact O-N 3.31Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 PolarHBondContact O-N 2.81Å
150	K	79.6	Confident	77.5	Confident	116 Å²	116	70 Å²	70	50%	0.504	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-38.5	176.2	-65.9	171.2	-171.6	132.4	0	111.9	D142 N148 V154	D142-K150 IonicContact OD1-NZ 3.92Å; D142-K150 IonicContact OD2-NZ 3.84Å; D142-K150 PolarHBondContact OD2-NZ 2.96Å; N148-K150 PolarHBondContact O-N 2.92Å; N148-K150 WeakPolarHBondContact OD1-CB 3.35Å; N148-K150 PolarHBondContact OD1-N 2.77Å; K150-V154 VanDerWaalsContact O-CG2 3.26Å; K150-V154 WeakPolarHBondContact O-CG2 3.31Å; K150-V154 PolarHBondContact O-N 3.36Å
151	Q	81.1	Confident	79.1	Confident	133 Å²	133	69.8 Å²	69.8	62%	0.621	37%	0.367	S	S	*	.	H	α-helix	trans	-65.2	-43	175.6	-79.2	175.7	-35.8	0	0	111.2	N148 V154 R155	N148-Q151 HydrophobicContact CB-CB 4.1Å; N148-Q151 HydrophobicContact CB-CG 4.17Å; N148-Q151 VanDerWaalsContact CB-OE1 3.24Å; N148-Q151 WeakPolarHBondContact ND2-CG 3.21Å; N148-Q151 PolarHBondContact ND2-OE1 2.9Å; N148-Q151 VanDerWaalsContact ND2-OE1 3.17Å; N148-Q151 WeakPolarHBondContact O-CB 3.43Å; N148-Q151 PolarHBondContact O-N 2.81Å; N148-Q151 PolarHBondContact OD1-N 3.06Å; Q151-V154 PolarHBondContact O-N 3.5Å; Q151-R155 PolarHBondContact O-N 2.9Å
152	M	82.9	Confident	80.7	Confident	50 Å²	50	68.3 Å²	68.3	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.3	-67.6	-173.5	69.5	0	0	112.2	T22 Y134 F147 N148 Y149 V154 R155 D156	T22-M152 HydrophobicContact CG2-CE 3.71Å; Y134-M152 HydrophobicContact CE1-CB 4.26Å; F147-M152 HydrophobicContact CD1-SD 4.13Å; F147-M152 HydrophobicContact CE1-CE 4.36Å; F147-M152 HydrophobicContact CE1-SD 3.22Å; F147-M152 WeakPolarHBondContact CE1-SD 3.29Å; F147-M152 HydrophobicContact CE2-SD 4.37Å; F147-M152 HydrophobicContact CZ-CE 4.18Å; F147-M152 HydrophobicContact CZ-SD 3.37Å; F147-M152 WeakPolarHBondContact CZ-SD 3.49Å; N148-M152 PolarHBondContact O-N 2.71Å; Y149-M152 PolarHBondContact O-N 3.31Å; M152-V154 VanDerWaalsContact C-N 3.3Å; M152-V154 PolarHBondContact O-N 3.08Å; M152-R155 WeakPolarHBondContact O-CB 3.31Å; M152-R155 PolarHBondContact O-N 3.36Å; M152-R155 VanDerWaalsContact O-N 3.14Å; M152-D156 PolarHBondContact O-N 2.79Å
153	M	88.2	Confident	82.2	Confident	30 Å²	30	65.5 Å²	65.5	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-39.8	178	-176.9	-175.7	63.2	0	0	111.9	W126 K130 Y134 L138 Y149 D156 E157	W126-M153 HydrophobicContact CH2-CG 4.23Å; W126-M153 HydrophobicContact CZ2-CG 3.93Å; K130-M153 HydrophobicContact CD-SD 3.96Å; K130-M153 HydrophobicContact CG-SD 3.98Å; Y134-M153 HydrophobicContact CD1-CB 4.4Å; Y134-M153 HydrophobicContact CD2-CB 4.15Å; Y134-M153 HydrophobicContact CD2-CG 3.97Å; Y134-M153 HydrophobicContact CE1-CB 4.24Å; Y134-M153 HydrophobicContact CE2-CB 4Å; Y134-M153 HydrophobicContact CE2-CG 4.1Å; Y134-M153 HydrophobicContact CG-CB 4.36Å; Y134-M153 HydrophobicContact CG-CG 4.44Å; L138-M153 HydrophobicContact CD2-CE 4.31Å; L138-M153 HydrophobicContact CD2-SD 3.89Å; Y149-M153 WeakPolarHBondContact O-CB 3.47Å; Y149-M153 PolarHBondContact O-N 2.81Å; M153-D156 PolarHBondContact O-N 3.08Å; M153-E157 WeakPolarHBondContact O-CB 3.47Å; M153-E157 PolarHBondContact O-N 3.3Å
154	V	89.2	Confident	83.9	Confident	88 Å²	88	63.9 Å²	63.9	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-39.6	176.5	169.2	0	0	0	0	111.5	K150 Q151 M152 E157 R158	K150-V154 VanDerWaalsContact O-CG2 3.26Å; K150-V154 WeakPolarHBondContact O-CG2 3.31Å; K150-V154 PolarHBondContact O-N 3.36Å; Q151-V154 PolarHBondContact O-N 3.5Å; M152-V154 VanDerWaalsContact C-N 3.3Å; M152-V154 PolarHBondContact O-N 3.08Å; V154-E157 PolarHBondContact O-N 3.02Å; V154-R158 WeakPolarHBondContact O-CB 3.13Å; V154-R158 PolarHBondContact O-N 2.81Å
155	R	91	Very high	85.7	Confident	50 Å²	50	61.8 Å²	61.8	19%	0.189	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-48	175.1	179.1	173.5	173.8	173.9	-2	110.9	Q151 M152 E157 R158 R159 E195 D199	Q151-R155 PolarHBondContact O-N 2.9Å; M152-R155 WeakPolarHBondContact O-CB 3.31Å; M152-R155 PolarHBondContact O-N 3.36Å; M152-R155 VanDerWaalsContact O-N 3.14Å; R155-E157 PolarHBondContact O-N 3.25Å; R155-R158 WeakPolarHBondContact O-CB 3.35Å; R155-R158 PolarHBondContact O-N 2.93Å; R155-R159 PolarHBondContact O-N 2.99Å; R155-E195 HydrophobicContact CG-CG 3.96Å; R155-E195 WeakPolarHBondContact CG-OE1 2.92Å; R155-E195 IonicContact CZ-OE2 2.59Å; R155-E195 IonicContact NE-OE1 3.37Å; R155-E195 IonicContact NE-OE2 3.97Å; R155-E195 PolarHBondContact NE-OE2 3.08Å; R155-E195 IonicContact NH2-OE2 3.73Å; R155-E195 PolarHBondContact NH2-OE2 2.85Å; R155-D199 IonicContact CZ-OD1 3.35Å; R155-D199 IonicContact CZ-OD2 3.65Å; R155-D199 VanDerWaalsContact CZ-OD2 3.25Å; R155-D199 IonicContact NH1-OD1 3.11Å; R155-D199 PolarHBondContact NH1-OD1 3.32Å; R155-D199 IonicContact NH1-OD2 3.09Å; R155-D199 PolarHBondContact NH1-OD2 3.15Å; R155-D199 IonicContact NH2-OD2 3.48Å; R155-D199 PolarHBondContact NH2-OD2 3.32Å
156	D	92.7	Very high	87.3	Confident	18 Å²	18	61.3 Å²	61.3	10%	0.096	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-41.9	176.9	-75	-2.2	0	0	0	111.9	W126 Y129 Y134 M152 M153 R158 R159 F160 F179	W126-D156 HydrophobicContact CH2-CB 3.98Å; W126-D156 HydrophobicContact CZ3-CB 4.11Å; Y129-D156 HydrophobicContact CE1-CB 4.17Å; Y129-D156 PolarHBondContact OH-OD2 3.44Å; Y134-D156 PolarHBondContact OH-OD2 2.97Å; M152-D156 PolarHBondContact O-N 2.79Å; M153-D156 PolarHBondContact O-N 3.08Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 2.78Å; D156-R159 PolarHBondContact O-N 3.28Å; D156-F160 VanDerWaalsContact O-CB 3.29Å; D156-F160 WeakPolarHBondContact O-CB 3.29Å; D156-F160 PolarHBondContact O-N 2.76Å; D156-F179 HydrophobicContact CB-CE2 4.3Å; D156-F179 HydrophobicContact CB-CZ 4.24Å; D156-F179 WeakPolarHBondContact O-CE2 3.33Å
157	E	94.9	Very high	89.2	Confident	54 Å²	54	60.7 Å²	60.7	25%	0.252	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-42	177.8	-169	179.9	162.8	0	0	111.2	W126 M153 V154 R155 F160 K161	W126-E157 HydrophobicContact CD2-CG 4.18Å; W126-E157 HydrophobicContact CH2-CB 3.56Å; W126-E157 HydrophobicContact CH2-CG 4.24Å; W126-E157 VanDerWaalsContact CH2-N 3.27Å; W126-E157 HydrophobicContact CZ2-CB 3.39Å; W126-E157 HydrophobicContact CZ2-CG 3.7Å; W126-E157 HydrophobicContact CZ3-CB 4.18Å; M153-E157 WeakPolarHBondContact O-CB 3.47Å; M153-E157 PolarHBondContact O-N 3.3Å; V154-E157 PolarHBondContact O-N 3.02Å; R155-E157 PolarHBondContact O-N 3.25Å; E157-F160 PolarHBondContact O-N 2.79Å; E157-K161 HydrophobicContact CG-CD 4.25Å; E157-K161 WeakPolarHBondContact O-CB 3.38Å; E157-K161 VanDerWaalsContact O-CG 3.29Å; E157-K161 WeakPolarHBondContact O-CG 2.88Å; E157-K161 PolarHBondContact O-N 3.37Å; E157-K161 WeakPolarHBondContact OE1-CE 3.39Å; E157-K161 IonicContact OE1-NZ 2.81Å; E157-K161 PolarHBondContact OE1-NZ 3.27Å
158	R	95.7	Very high	90.9	Very high	66 Å²	66	62 Å²	62	25%	0.249	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.5	179.4	-177.7	58.1	-164.1	-0.9	111.1	V154 R155 D156 K161 M162 I191 E198	V154-R158 WeakPolarHBondContact O-CB 3.13Å; V154-R158 PolarHBondContact O-N 2.81Å; R155-R158 WeakPolarHBondContact O-CB 3.35Å; R155-R158 PolarHBondContact O-N 2.93Å; D156-R158 VanDerWaalsContact C-N 3.29Å; D156-R158 PolarHBondContact O-N 2.78Å; R158-K161 PolarHBondContact O-N 2.92Å; R158-M162 PolarHBondContact O-N 2.96Å; R158-I191 HydrophobicContact CG-CD1 3.8Å; R158-E198 IonicContact CZ-OE1 3.17Å; R158-E198 IonicContact CZ-OE2 3.32Å; R158-E198 VanDerWaalsContact NH1-CD 3.32Å; R158-E198 IonicContact NH1-OE1 3.77Å; R158-E198 PolarHBondContact NH1-OE1 3.37Å; R158-E198 IonicContact NH1-OE2 2.92Å; R158-E198 PolarHBondContact NH1-OE2 3.09Å; R158-E198 VanDerWaalsContact NH1-OE2 3.11Å; R158-E198 IonicContact NH2-OE1 2.58Å; R158-E198 IonicContact NH2-OE2 3.52Å; R158-E198 PolarHBondContact NH2-OE2 2.77Å
159	R	95.7	Very high	92	Very high	8 Å²	8	62.5 Å²	62.5	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-43.2	177.4	-168.1	-170.3	-56	-164.3	14.7	111.4	R155 D156 K161 M162 A163 F179 M188 I191 E195	R155-R159 PolarHBondContact O-N 2.99Å; D156-R159 PolarHBondContact O-N 3.28Å; R159-K161 PolarHBondContact O-N 2.89Å; R159-M162 WeakPolarHBondContact O-CB 3.46Å; R159-M162 PolarHBondContact O-N 2.85Å; R159-M162 VanDerWaalsContact O-N 3.11Å; R159-A163 PolarHBondContact O-N 2.71Å; R159-F179 HydrophobicContact CB-CD2 3.98Å; R159-F179 HydrophobicContact CB-CE2 3.97Å; R159-F179 WeakPolarHBondContact CD-O 3.44Å; R159-F179 HydrophobicContact CG-CD2 3.83Å; R159-F179 HydrophobicContact CG-CE2 4.19Å; R159-M188 HydrophobicContact CG-CE 3.87Å; R159-I191 HydrophobicContact CB-CG1 4.38Å; R159-I191 HydrophobicContact CG-CG1 4.39Å; R159-I191 HydrophobicContact CG-CG2 4.28Å; R159-E195 IonicContact CZ-OE1 3.28Å; R159-E195 IonicContact CZ-OE2 2.82Å; R159-E195 IonicContact NE-OE1 3.43Å; R159-E195 PolarHBondContact NE-OE1 3.24Å; R159-E195 VanDerWaalsContact NE-OE1 3.09Å; R159-E195 IonicContact NE-OE2 3.25Å; R159-E195 PolarHBondContact NE-OE2 2.82Å; R159-E195 IonicContact NH2-OE1 3.46Å; R159-E195 PolarHBondContact NH2-OE1 3.13Å; R159-E195 IonicContact NH2-OE2 3.23Å; R159-E195 PolarHBondContact NH2-OE2 3.05Å
160	F	96.6	Very high	93	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-47.5	177.6	-167.6	-77.7	0	0	0	110.8	V124 W126 D156 E157 M162 A163 D164 A171 F179	V124-F160 WeakPolarHBondContact O-CZ 3.34Å; W126-F160 HydrophobicContact CB-CD1 4.21Å; W126-F160 HydrophobicContact CB-CE1 4.06Å; W126-F160 HydrophobicContact CB-CZ 4.38Å; W126-F160 HydrophobicContact CE3-CB 3.85Å; W126-F160 HydrophobicContact CE3-CD1 4.36Å; W126-F160 AromaticContact CE3-CD2 3.94Å; W126-F160 HydrophobicContact CE3-CD2 3.94Å; W126-F160 AromaticContact CE3-CG 3.79Å; W126-F160 HydrophobicContact CE3-CG 3.79Å; W126-F160 HydrophobicContact CZ3-CB 4.11Å; W126-F160 HydrophobicContact CZ3-CG 4.45Å; D156-F160 VanDerWaalsContact O-CB 3.29Å; D156-F160 WeakPolarHBondContact O-CB 3.29Å; D156-F160 PolarHBondContact O-N 2.76Å; E157-F160 PolarHBondContact O-N 2.79Å; F160-M162 VanDerWaalsContact C-N 3.26Å; F160-M162 PolarHBondContact O-N 3.08Å; F160-A163 PolarHBondContact O-N 3.31Å; F160-A163 VanDerWaalsContact O-N 3.12Å; F160-D164 VanDerWaalsContact O-CB 3.31Å; F160-D164 WeakPolarHBondContact O-CB 3.35Å; F160-D164 PolarHBondContact O-N 2.99Å; F160-A171 HydrophobicContact CE1-CB 4.25Å; F160-A171 HydrophobicContact CE2-CB 3.92Å; F160-A171 HydrophobicContact CZ-CB 3.53Å; F160-F179 HydrophobicContact CB-CD2 3.93Å; F160-F179 HydrophobicContact CB-CE2 3.99Å; F160-F179 HydrophobicContact CD2-CD1 4.3Å; F160-F179 HydrophobicContact CD2-CD2 4.22Å; F160-F179 HydrophobicContact CD2-CE1 4.47Å; F160-F179 HydrophobicContact CD2-CE2 4.38Å; F160-F179 HydrophobicContact CD2-CG 4.18Å
161	K	97.1	Very high	93.9	Very high	103 Å²	103	57.2 Å²	57.2	45%	0.448	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-30.5	174.9	-78.3	169.4	173.2	167.4	0	114.1	E157 R158 R159 L169	E157-K161 HydrophobicContact CG-CD 4.25Å; E157-K161 WeakPolarHBondContact O-CB 3.38Å; E157-K161 VanDerWaalsContact O-CG 3.29Å; E157-K161 WeakPolarHBondContact O-CG 2.88Å; E157-K161 PolarHBondContact O-N 3.37Å; E157-K161 WeakPolarHBondContact OE1-CE 3.39Å; E157-K161 IonicContact OE1-NZ 2.81Å; E157-K161 PolarHBondContact OE1-NZ 3.27Å; R158-K161 PolarHBondContact O-N 2.92Å; R159-K161 PolarHBondContact O-N 2.89Å; K161-L169 HydrophobicContact CD-CD2 4.49Å; K161-L169 HydrophobicContact CG-CD2 3.65Å
162	M	96.5	Very high	94.6	Very high	81 Å²	81	53.5 Å²	53.5	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-74.8	-38.8	174.7	-170.7	70.3	90.4	0	0	110.6	R158 R159 F160 Y187 M188 I191	R158-M162 PolarHBondContact O-N 2.96Å; R159-M162 WeakPolarHBondContact O-CB 3.46Å; R159-M162 PolarHBondContact O-N 2.85Å; R159-M162 VanDerWaalsContact O-N 3.11Å; F160-M162 VanDerWaalsContact C-N 3.26Å; F160-M162 PolarHBondContact O-N 3.08Å; M162-Y187 VanDerWaalsContact O-CE2 3.32Å; M162-Y187 WeakPolarHBondContact O-CE2 3.39Å; M162-M188 VanDerWaalsContact C-SD 3.54Å; M162-M188 HydrophobicContact CB-CE 4.12Å; M162-M188 HydrophobicContact CB-SD 3.85Å; M162-M188 HydrophobicContact CG-CE 4.28Å; M162-M188 HydrophobicContact CG-SD 3.48Å; M162-M188 WeakPolarHBondContact CG-SD 3.48Å; M162-I191 HydrophobicContact CG-CB 4.49Å; M162-I191 HydrophobicContact CG-CG2 4.45Å
163	A	97	Very high	95.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-41.5	-178.6	0	0	0	0	0	112.1	R159 F160 K165 E175 A178 F179 Y187 M188	R159-A163 PolarHBondContact O-N 2.71Å; F160-A163 PolarHBondContact O-N 3.31Å; F160-A163 VanDerWaalsContact O-N 3.12Å; A163-K165 PolarHBondContact O-N 2.82Å; A163-E175 WeakPolarHBondContact CB-O 3.36Å; A163-E175 WeakPolarHBondContact O-CG 3.35Å; A163-A178 HydrophobicContact CB-CB 4.24Å; A163-F179 HydrophobicContact CB-CB 3.75Å; A163-Y187 PolarHBondContact O-OH 3.09Å; A163-M188 VanDerWaalsContact CA-SD 3.51Å; A163-M188 HydrophobicContact CB-CE 3.65Å; A163-M188 HydrophobicContact CB-SD 4.02Å; A163-M188 PolarHBondContact N-SD 2.64Å
164	D	97.3	Very high	95.5	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	30%	0.297	C	S	.	.			trans	-65.6	106.1	174.7	173.3	10.5	0	0	0	111.3	F160 D166 G167 D168 L169	F160-D164 VanDerWaalsContact O-CB 3.31Å; F160-D164 WeakPolarHBondContact O-CB 3.35Å; F160-D164 PolarHBondContact O-N 2.99Å; D164-D166 PolarHBondContact OD1-N 3.35Å; D164-D166 VanDerWaalsContact OD1-OD1 3.14Å; D164-G167 WeakPolarHBondContact OD1-CA 3.46Å; D164-G167 PolarHBondContact OD1-N 2.79Å; D164-G167 VanDerWaalsContact OD2-C 3.24Å; D164-G167 WeakPolarHBondContact OD2-CA 3.04Å; D164-G167 PolarHBondContact OD2-N 2.92Å; D164-D168 PolarHBondContact OD2-N 3.07Å; D164-L169 VanDerWaalsContact OD2-CA 3.28Å; D164-L169 WeakPolarHBondContact OD2-CA 3.47Å; D164-L169 PolarHBondContact OD2-N 3.14Å
165	K	95.6	Very high	95.8	Very high	138 Å²	138	54.6 Å²	54.6	60%	0.6	28%	0.275	S	S	*	.	S	Bend	trans	-81.5	-27.8	-172.7	-72.7	-177.5	-179.7	169.1	0	113.1	A163 E175 Y187	A163-K165 PolarHBondContact O-N 2.82Å; K165-E175 PolarHBondContact N-OE1 2.68Å; K165-Y187 WeakPolarHBondContact CE-OH 3.3Å; K165-Y187 HydrophobicContact CG-CE2 4.32Å
166	D	96.4	Very high	96	Very high	113 Å²	113	52.2 Å²	52.2	60%	0.604	27%	0.266	S	S	*	.	S	Bend	trans	-95.9	-13.7	-179.1	72.2	20.5	0	0	0	113.1	D164 D168	D164-D166 PolarHBondContact OD1-N 3.35Å; D164-D166 VanDerWaalsContact OD1-OD1 3.14Å; D166-D168 WeakPolarHBondContact OD1-CB 3.32Å; D166-D168 PolarHBondContact OD1-N 3.31Å; D166-D168 VanDerWaalsContact OD1-N 3.14Å
167	G	96.1	Very high	96	Very high	54 Å²	54	52.4 Å²	52.4	56%	0.557	27%	0.268	S	S	*	.			trans	77.6	21.5	170.1	0	0	0	0	0	113.2	D164 L169	D164-G167 WeakPolarHBondContact OD1-CA 3.46Å; D164-G167 PolarHBondContact OD1-N 2.79Å; D164-G167 VanDerWaalsContact OD2-C 3.24Å; D164-G167 WeakPolarHBondContact OD2-CA 3.04Å; D164-G167 PolarHBondContact OD2-N 2.92Å; G167-L169 VanDerWaalsContact C-N 3.3Å
168	D	96.9	Very high	96	Very high	81 Å²	81	49.8 Å²	49.8	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	-84.5	-4	178.9	80.1	-5.9	0	0	0	113.8	D164 D166 I170	D164-D168 PolarHBondContact OD2-N 3.07Å; D166-D168 WeakPolarHBondContact OD1-CB 3.32Å; D166-D168 PolarHBondContact OD1-N 3.31Å; D166-D168 VanDerWaalsContact OD1-N 3.14Å; D168-I170 VanDerWaalsContact C-N 3.27Å; D168-I170 VanDerWaalsContact OD1-CA 3.31Å; D168-I170 WeakPolarHBondContact OD1-CA 3.29Å; D168-I170 VanDerWaalsContact OD1-CB 3.25Å; D168-I170 WeakPolarHBondContact OD1-CB 3.49Å; D168-I170 PolarHBondContact OD1-N 2.87Å
169	L	96.5	Very high	96	Very high	61 Å²	61	46.9 Å²	46.9	32%	0.319	25%	0.245	S	C	.	.	S	Bend	trans	63.2	27.8	-174.6	-59.7	174.9	0	0	0	113.8	S125 W126 K161 D164 G167	S125-L169 CarbonylContact C-O 3.59Å; S125-L169 WeakPolarHBondContact CA-O 3.48Å; W126-L169 HydrophobicContact CB-CB 4.24Å; W126-L169 PolarHBondContact N-O 2.93Å; K161-L169 HydrophobicContact CD-CD2 4.49Å; K161-L169 HydrophobicContact CG-CD2 3.65Å; D164-L169 VanDerWaalsContact OD2-CA 3.28Å; D164-L169 WeakPolarHBondContact OD2-CA 3.47Å; D164-L169 PolarHBondContact OD2-N 3.14Å; G167-L169 VanDerWaalsContact C-N 3.3Å
170	I	97	Very high	95.7	Very high	61 Å²	61	47.2 Å²	47.2	31%	0.313	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	97	178.9	-53.2	173.4	0	0	0	108.8	L123 D168 T172	L123-I170 HydrophobicContact CB-CG2 3.5Å; L123-I170 HydrophobicContact CD1-CG2 3.66Å; L123-I170 HydrophobicContact CG-CG2 4.08Å; D168-I170 VanDerWaalsContact C-N 3.27Å; D168-I170 VanDerWaalsContact OD1-CA 3.31Å; D168-I170 WeakPolarHBondContact OD1-CA 3.29Å; D168-I170 VanDerWaalsContact OD1-CB 3.25Å; D168-I170 WeakPolarHBondContact OD1-CB 3.49Å; D168-I170 PolarHBondContact OD1-N 2.87Å; I170-T172 PolarHBondContact O-N 2.76Å
171	A	97	Very high	95.2	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.5	-176.3	0	0	0	0	0	111.7	V124 F160 E175 F176	V124-A171 PolarHBondContact N-O 2.99Å; V124-A171 PolarHBondContact O-N 3Å; F160-A171 HydrophobicContact CE1-CB 4.25Å; F160-A171 HydrophobicContact CE2-CB 3.92Å; F160-A171 HydrophobicContact CZ-CB 3.53Å; A171-E175 HydrophobicContact CB-CB 4.04Å; A171-F176 HydrophobicContact CB-CB 4.14Å; A171-F176 HydrophobicContact CB-CD2 4.44Å
172	T	96.6	Very high	94.7	Very high	56 Å²	56	42.5 Å²	42.5	34%	0.344	23%	0.227	S	C	.	.			trans	-68.3	170.2	160.3	62.3	0	0	0	0	111.4	L123 I170 E174 E175 F176	L123-T172 HydrophobicContact CD2-CG2 4.05Å; I170-T172 PolarHBondContact O-N 2.76Å; T172-E174 PolarHBondContact O-N 2.79Å; T172-E175 WeakPolarHBondContact CB-OE2 3.2Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.35Å; T172-E175 PolarHBondContact N-OE2 2.92Å; T172-E175 PolarHBondContact O-N 3.23Å; T172-E175 VanDerWaalsContact O-N 3.17Å; T172-E175 WeakPolarHBondContact OG1-CG 3.31Å; T172-E175 PolarHBondContact OG1-N 3.36Å; T172-E175 PolarHBondContact OG1-OE2 3.23Å; T172-F176 WeakPolarHBondContact O-CB 3.38Å; T172-F176 PolarHBondContact O-N 3.28Å
173	K	94.2	Very high	93.9	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-52.6	-41.9	175.3	-158.6	92.5	-179.6	-176.7	0	112.6	E110 W113 T177	E110-K173 WeakPolarHBondContact OE2-CE 3.39Å; E110-K173 IonicContact OE2-NZ 2.71Å; E110-K173 PolarHBondContact OE2-NZ 3.38Å; W113-K173 HydrophobicContact CD2-CD 3.74Å; W113-K173 HydrophobicContact CE3-CD 3.73Å; W113-K173 HydrophobicContact CE3-CG 4.48Å; W113-K173 HydrophobicContact CG-CD 4.31Å; W113-K173 VanDerWaalsContact CG-NZ 3.3Å; W113-K173 HydrophobicContact CH2-CB 4.33Å; W113-K173 HydrophobicContact CH2-CD 4.33Å; W113-K173 HydrophobicContact CZ2-CD 4.34Å; W113-K173 HydrophobicContact CZ3-CB 4.24Å; W113-K173 HydrophobicContact CZ3-CD 4.04Å; W113-K173 HydrophobicContact CZ3-CG 4.48Å; K173-T177 WeakPolarHBondContact O-CB 3.23Å; K173-T177 PolarHBondContact O-N 3.41Å; K173-T177 PolarHBondContact O-OG1 3.28Å
174	E	94.7	Very high	93.1	Very high	111 Å²	111	43 Å²	43	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-47	179.5	-170	78	-156.5	0	0	111	T172 F176 T177 A178 Y185	T172-E174 PolarHBondContact O-N 2.79Å; E174-F176 PolarHBondContact O-N 3.2Å; E174-T177 WeakPolarHBondContact O-CB 3.48Å; E174-T177 PolarHBondContact O-N 2.97Å; E174-A178 PolarHBondContact O-N 2.57Å; E174-Y185 VanDerWaalsContact CD-OH 3.31Å; E174-Y185 HydrophobicContact CG-CE1 4.34Å; E174-Y185 VanDerWaalsContact OE1-CE1 3.23Å; E174-Y185 WeakPolarHBondContact OE1-CE1 3.26Å; E174-Y185 PolarHBondContact OE1-OH 3.47Å
175	E	96.5	Very high	92.7	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-35.2	-178.7	-66.5	162.8	140.9	0	0	111.7	A163 K165 A171 T172 T177 A178 F179	A163-E175 WeakPolarHBondContact CB-O 3.36Å; A163-E175 WeakPolarHBondContact O-CG 3.35Å; K165-E175 PolarHBondContact N-OE1 2.68Å; A171-E175 HydrophobicContact CB-CB 4.04Å; T172-E175 WeakPolarHBondContact CB-OE2 3.2Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.35Å; T172-E175 PolarHBondContact N-OE2 2.92Å; T172-E175 PolarHBondContact O-N 3.23Å; T172-E175 VanDerWaalsContact O-N 3.17Å; T172-E175 WeakPolarHBondContact OG1-CG 3.31Å; T172-E175 PolarHBondContact OG1-N 3.36Å; T172-E175 PolarHBondContact OG1-OE2 3.23Å; E175-T177 VanDerWaalsContact C-N 3.32Å; E175-A178 CarbonylContact O-C 3.57Å; E175-A178 PolarHBondContact O-N 2.95Å; E175-F179 WeakPolarHBondContact O-CB 3.24Å; E175-F179 PolarHBondContact O-N 3.08Å
176	F	95.8	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-33.3	173.4	-164	-109	0	0	0	111.9	V109 Q112 W113 H116 V124 Y129 A171 T172 E174 F179 L180	V109-F176 HydrophobicContact CG1-CD1 4.32Å; Q112-F176 HydrophobicContact CB-CE1 3.86Å; Q112-F176 HydrophobicContact CB-CZ 4.35Å; W113-F176 HydrophobicContact CE3-CB 3.94Å; W113-F176 AromaticContact CE3-CD1 3.59Å; W113-F176 HydrophobicContact CE3-CD1 3.59Å; W113-F176 HydrophobicContact CE3-CE1 4.29Å; W113-F176 AromaticContact CE3-CG 3.92Å; W113-F176 HydrophobicContact CE3-CG 3.92Å; W113-F176 HydrophobicContact CZ3-CB 3.46Å; W113-F176 VanDerWaalsContact CZ3-CB 3.46Å; W113-F176 HydrophobicContact CZ3-CD1 4.01Å; W113-F176 AromaticContact CZ3-CG 3.85Å; W113-F176 HydrophobicContact CZ3-CG 3.85Å; H116-F176 HydrophobicContact CB-CZ 4.33Å; H116-F176 AromaticContact ND1-CZ 3.89Å; V124-F176 HydrophobicContact CB-CD2 4.18Å; V124-F176 HydrophobicContact CB-CE2 4.32Å; V124-F176 HydrophobicContact CG1-CD2 4.12Å; V124-F176 HydrophobicContact CG1-CE2 3.82Å; Y129-F176 AromaticContact CD2-CE2 3.89Å; Y129-F176 HydrophobicContact CD2-CE2 3.89Å; Y129-F176 HydrophobicContact CD2-CZ 4.23Å; Y129-F176 HydrophobicContact CE2-CE2 4.38Å; Y129-F176 HydrophobicContact CE2-CZ 4.48Å; A171-F176 HydrophobicContact CB-CB 4.14Å; A171-F176 HydrophobicContact CB-CD2 4.44Å; T172-F176 WeakPolarHBondContact O-CB 3.38Å; T172-F176 PolarHBondContact O-N 3.28Å; E174-F176 PolarHBondContact O-N 3.2Å; F176-F179 HydrophobicContact CD2-CD1 4.03Å; F176-F179 AromaticContact CE2-CD1 3.96Å; F176-F179 HydrophobicContact CE2-CD1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 4.28Å; F176-F179 PolarHBondContact O-N 3.14Å; F176-L180 HydrophobicContact CD1-CD1 3.71Å; F176-L180 HydrophobicContact CD1-CG 4.22Å; F176-L180 HydrophobicContact CE1-CD1 3.4Å; F176-L180 HydrophobicContact CE1-CG 4.04Å; F176-L180 HydrophobicContact CZ-CD1 4.06Å; F176-L180 HydrophobicContact CZ-CD2 4.4Å; F176-L180 HydrophobicContact CZ-CG 4.32Å; F176-L180 WeakPolarHBondContact O-CG 3.26Å; F176-L180 PolarHBondContact O-N 3Å
177	T	93.1	Very high	92.3	Very high	21 Å²	21	41.8 Å²	41.8	13%	0.129	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-46.6	170.1	-54.5	0	0	0	0	110	I105 V109 K173 E174 E175 F179 L180 H181 Y185	I105-T177 HydrophobicContact CG2-CG2 3.73Å; V109-T177 HydrophobicContact CG2-CG2 3.89Å; K173-T177 WeakPolarHBondContact O-CB 3.23Å; K173-T177 PolarHBondContact O-N 3.41Å; K173-T177 PolarHBondContact O-OG1 3.28Å; E174-T177 WeakPolarHBondContact O-CB 3.48Å; E174-T177 PolarHBondContact O-N 2.97Å; E175-T177 VanDerWaalsContact C-N 3.32Å; T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 PolarHBondContact O-N 3.06Å; T177-L180 PolarHBondContact O-N 3.01Å; T177-H181 PolarHBondContact O-N 3.26Å; T177-Y185 HydrophobicContact CG2-CE2 3.94Å
178	A	94.1	Very high	92.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-30.3	176	0	0	0	0	0	113.4	A163 E174 E175 P182 Y185 Y187 M188	A163-A178 HydrophobicContact CB-CB 4.24Å; E174-A178 PolarHBondContact O-N 2.57Å; E175-A178 CarbonylContact O-C 3.57Å; E175-A178 PolarHBondContact O-N 2.95Å; A178-P182 WeakPolarHBondContact O-CA 3.37Å; A178-P182 WeakPolarHBondContact O-CB 3.41Å; A178-Y185 VanDerWaalsContact CA-CE2 3.43Å; A178-Y185 HydrophobicContact CB-CD1 4.09Å; A178-Y185 HydrophobicContact CB-CD2 3.45Å; A178-Y185 VanDerWaalsContact CB-CD2 3.45Å; A178-Y185 HydrophobicContact CB-CE1 4.22Å; A178-Y185 HydrophobicContact CB-CE2 3.63Å; A178-Y185 HydrophobicContact CB-CG 3.67Å; A178-Y187 HydrophobicContact CB-CE1 4.45Å; A178-Y187 VanDerWaalsContact CB-OH 3.25Å; A178-Y187 WeakPolarHBondContact CB-OH 3.12Å; A178-M188 HydrophobicContact CB-CG 4.11Å; A178-M188 WeakPolarHBondContact O-CE 3.33Å
179	F	94.8	Very high	91.7	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	18%	0.183	C	C	.	.	H	α-helix	trans	-71.3	-43.3	174	167.2	-109.1	0	0	0	112.2	Y129 D156 R159 F160 A163 E175 F176 T177	Y129-F179 HydrophobicContact CD1-CE1 4.44Å; Y129-F179 HydrophobicContact CD1-CZ 4.26Å; Y129-F179 AromaticContact CD2-CE1 3.96Å; Y129-F179 HydrophobicContact CD2-CE1 3.96Å; Y129-F179 AromaticContact CE1-CE1 3.99Å; Y129-F179 HydrophobicContact CE1-CE1 3.99Å; Y129-F179 AromaticContact CE1-CZ 3.64Å; Y129-F179 HydrophobicContact CE1-CZ 3.64Å; Y129-F179 AromaticContact CE2-CE1 3.47Å; Y129-F179 HydrophobicContact CE2-CE1 3.47Å; Y129-F179 VanDerWaalsContact CE2-CE1 3.47Å; Y129-F179 HydrophobicContact CE2-CZ 4Å; Y129-F179 HydrophobicContact CG-CE1 4.42Å; Y129-F179 AromaticContact CZ-CE1 3.47Å; Y129-F179 VanDerWaalsContact CZ-CE1 3.47Å; Y129-F179 AromaticContact CZ-CZ 3.49Å; Y129-F179 VanDerWaalsContact CZ-CZ 3.49Å; D156-F179 HydrophobicContact CB-CE2 4.3Å; D156-F179 HydrophobicContact CB-CZ 4.24Å; D156-F179 WeakPolarHBondContact O-CE2 3.33Å; R159-F179 HydrophobicContact CB-CD2 3.98Å; R159-F179 HydrophobicContact CB-CE2 3.97Å; R159-F179 WeakPolarHBondContact CD-O 3.44Å; R159-F179 HydrophobicContact CG-CD2 3.83Å; R159-F179 HydrophobicContact CG-CE2 4.19Å; F160-F179 HydrophobicContact CB-CD2 3.93Å; F160-F179 HydrophobicContact CB-CE2 3.99Å; F160-F179 HydrophobicContact CD2-CD1 4.3Å; F160-F179 HydrophobicContact CD2-CD2 4.22Å; F160-F179 HydrophobicContact CD2-CE1 4.47Å; F160-F179 HydrophobicContact CD2-CE2 4.38Å; F160-F179 HydrophobicContact CD2-CG 4.18Å; A163-F179 HydrophobicContact CB-CB 3.75Å; E175-F179 WeakPolarHBondContact O-CB 3.24Å; E175-F179 PolarHBondContact O-N 3.08Å; F176-F179 HydrophobicContact CD2-CD1 4.03Å; F176-F179 AromaticContact CE2-CD1 3.96Å; F176-F179 HydrophobicContact CE2-CD1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 4.28Å; F176-F179 PolarHBondContact O-N 3.14Å; T177-F179 VanDerWaalsContact C-N 3.27Å; T177-F179 PolarHBondContact O-N 3.06Å
180	L	89.7	Confident	91.5	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	18%	0.183	C	C	.	.	H	α-helix	trans	-75.6	-40.5	-178.8	-69.2	180	0	0	0	112.8	K25 V109 Q112 F176 T177 P182	K25-L180 PolarHBondContact NZ-O 3.21Å; V109-L180 HydrophobicContact CG2-CD1 4.07Å; Q112-L180 HydrophobicContact CB-CD1 3.68Å; Q112-L180 HydrophobicContact CG-CD1 3.82Å; F176-L180 HydrophobicContact CD1-CD1 3.71Å; F176-L180 HydrophobicContact CD1-CG 4.22Å; F176-L180 HydrophobicContact CE1-CD1 3.4Å; F176-L180 HydrophobicContact CE1-CG 4.04Å; F176-L180 HydrophobicContact CZ-CD1 4.06Å; F176-L180 HydrophobicContact CZ-CD2 4.4Å; F176-L180 HydrophobicContact CZ-CG 4.32Å; F176-L180 WeakPolarHBondContact O-CG 3.26Å; F176-L180 PolarHBondContact O-N 3Å; T177-L180 PolarHBondContact O-N 3.01Å; L180-P182 WeakPolarHBondContact O-CD 3.45Å
181	H	85.5	Confident	91.2	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.028	17%	0.168	C	C	.	.			trans	-122.1	63.6	-178.5	-54.3	-76.7	0	0	0	110.9	W104 D108 T177 E183 E184	W104-H181 AromaticContact CH2-CE1 3.68Å; W104-H181 AromaticContact CZ3-CE1 3.36Å; W104-H181 WeakPolarHBondContact CZ3-CE1 3.24Å; W104-H181 AromaticContact CZ3-ND1 3.77Å; D108-H181 IonicContact OD2-CE1 3.31Å; D108-H181 PolarHBondContact OD2-CE1 3.2Å; D108-H181 IonicContact OD2-NE2 3.76Å; D108-H181 PolarHBondContact OD2-NE2 2.96Å; T177-H181 PolarHBondContact O-N 3.26Å; H181-E183 VanDerWaalsContact C-OE2 3.31Å; H181-E183 WeakPolarHBondContact CA-OE1 3.37Å; H181-E183 WeakPolarHBondContact CB-OE1 3.02Å; H181-E183 IonicContact CG-OE1 3.6Å; H181-E183 IonicContact ND1-OE1 3.53Å; H181-E183 PolarHBondContact O-N 3.35Å; H181-E184 HydrophobicContact CB-CB 4.49Å; H181-E184 HydrophobicContact CB-CG 4.05Å; H181-E184 WeakPolarHBondContact O-CB 3.16Å; H181-E184 PolarHBondContact O-N 3.06Å; H181-E184 VanDerWaalsContact O-N 3.14Å
182	P	88.5	Confident	90.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-59.7	-26.9	-178	27.3	-38.1	0	0	0	113.8	A178 L180 E184 Y185 M188 I191 V192	A178-P182 WeakPolarHBondContact O-CA 3.37Å; A178-P182 WeakPolarHBondContact O-CB 3.41Å; L180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-E184 PolarHBondContact O-N 3.36Å; P182-Y185 PolarHBondContact O-N 3.1Å; P182-M188 HydrophobicContact CB-CB 3.72Å; P182-M188 HydrophobicContact CB-CE 3.98Å; P182-M188 HydrophobicContact CB-CG 4.43Å; P182-M188 WeakPolarHBondContact O-CB 2.95Å; P182-I191 HydrophobicContact CB-CG2 4.25Å; P182-V192 HydrophobicContact CB-CG2 3.62Å; P182-V192 HydrophobicContact CG-CG2 3.62Å
183	E	79	Confident	90.3	Very high	20 Å²	20	31.9 Å²	31.9	9%	0.093	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27.6	176.1	61.7	-78.2	178.4	0	0	113.5	P32 H181 Y185 L259	P32-E183 HydrophobicContact CB-CG 3.83Å; P32-E183 VanDerWaalsContact CD-CG 3.46Å; P32-E183 HydrophobicContact CG-CG 3.46Å; P32-E183 VanDerWaalsContact CG-CG 3.46Å; H181-E183 VanDerWaalsContact C-OE2 3.31Å; H181-E183 WeakPolarHBondContact CA-OE1 3.37Å; H181-E183 WeakPolarHBondContact CB-OE1 3.02Å; H181-E183 IonicContact CG-OE1 3.6Å; H181-E183 IonicContact ND1-OE1 3.53Å; H181-E183 PolarHBondContact O-N 3.35Å; E183-Y185 VanDerWaalsContact C-N 3.25Å; E183-Y185 PolarHBondContact O-N 3.47Å; E183-L259 HydrophobicContact CB-CD2 4.29Å
184	E	80.8	Confident	90.1	Very high	72 Å²	72	32.1 Å²	32.1	34%	0.336	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-76.8	-11.2	179.7	-69.4	-64.8	111.3	0	0	113.7	P32 I105 H181 P182	P32-E184 WeakPolarHBondContact CD-OE1 3.17Å; P32-E184 HydrophobicContact CG-CG 4.17Å; P32-E184 WeakPolarHBondContact CG-OE1 3.15Å; I105-E184 HydrophobicContact CD1-CG 3.58Å; H181-E184 HydrophobicContact CB-CB 4.49Å; H181-E184 HydrophobicContact CB-CG 4.05Å; H181-E184 WeakPolarHBondContact O-CB 3.16Å; H181-E184 PolarHBondContact O-N 3.06Å; H181-E184 VanDerWaalsContact O-N 3.14Å; P182-E184 PolarHBondContact O-N 3.36Å
185	Y	88.4	Confident	89.7	Confident	37 Å²	37	26.8 Å²	26.8	15%	0.145	13%	0.129	C	C	.	.			trans	-120.7	117.3	-173.4	-71.2	-91.5	0	0	0	110.9	E174 T177 A178 P182 E183 Y187 M188 K189	E174-Y185 VanDerWaalsContact CD-OH 3.31Å; E174-Y185 HydrophobicContact CG-CE1 4.34Å; E174-Y185 VanDerWaalsContact OE1-CE1 3.23Å; E174-Y185 WeakPolarHBondContact OE1-CE1 3.26Å; E174-Y185 PolarHBondContact OE1-OH 3.47Å; T177-Y185 HydrophobicContact CG2-CE2 3.94Å; A178-Y185 VanDerWaalsContact CA-CE2 3.43Å; A178-Y185 HydrophobicContact CB-CD1 4.09Å; A178-Y185 HydrophobicContact CB-CD2 3.45Å; A178-Y185 VanDerWaalsContact CB-CD2 3.45Å; A178-Y185 HydrophobicContact CB-CE1 4.22Å; A178-Y185 HydrophobicContact CB-CE2 3.63Å; A178-Y185 HydrophobicContact CB-CG 3.67Å; P182-Y185 PolarHBondContact O-N 3.1Å; E183-Y185 VanDerWaalsContact C-N 3.25Å; E183-Y185 PolarHBondContact O-N 3.47Å; Y185-Y187 HydrophobicContact CD1-CD1 4.32Å; Y185-Y187 AromaticContact CD1-CE1 3.6Å; Y185-Y187 HydrophobicContact CD1-CE1 3.6Å; Y185-Y187 AromaticContact CG-CE1 3.92Å; Y185-Y187 HydrophobicContact CG-CE1 3.92Å; Y185-Y187 PolarHBondContact O-N 2.87Å; Y185-M188 WeakPolarHBondContact O-CA 3.3Å; Y185-M188 WeakPolarHBondContact O-CB 3.14Å; Y185-M188 PolarHBondContact O-N 3.06Å; Y185-K189 PolarHBondContact O-N 2.84Å
186	D	89.4	Confident	89	Confident	125 Å²	125	26.1 Å²	26.1	67%	0.668	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.6	-177.9	-75.6	-31.9	0	0	0	113.9	M188 K189	D186-M188 VanDerWaalsContact C-N 3.27Å; D186-M188 PolarHBondContact O-N 2.74Å; D186-K189 PolarHBondContact O-N 3.18Å; D186-K189 WeakPolarHBondContact OD1-CE 3.47Å; D186-K189 IonicContact OD1-NZ 2.83Å; D186-K189 PolarHBondContact OD1-NZ 3.32Å
187	Y	94	Very high	88.6	Confident	71 Å²	71	27 Å²	27	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.2	179	76.5	-85.1	0	0	0	113.7	M162 A163 K165 A178 Y185	M162-Y187 VanDerWaalsContact O-CE2 3.32Å; M162-Y187 WeakPolarHBondContact O-CE2 3.39Å; A163-Y187 PolarHBondContact O-OH 3.09Å; K165-Y187 WeakPolarHBondContact CE-OH 3.3Å; K165-Y187 HydrophobicContact CG-CE2 4.32Å; A178-Y187 HydrophobicContact CB-CE1 4.45Å; A178-Y187 VanDerWaalsContact CB-OH 3.25Å; A178-Y187 WeakPolarHBondContact CB-OH 3.12Å; Y185-Y187 HydrophobicContact CD1-CD1 4.32Å; Y185-Y187 AromaticContact CD1-CE1 3.6Å; Y185-Y187 HydrophobicContact CD1-CE1 3.6Å; Y185-Y187 AromaticContact CG-CE1 3.92Å; Y185-Y187 HydrophobicContact CG-CE1 3.92Å; Y185-Y187 PolarHBondContact O-N 2.87Å
188	M	92.9	Very high	88.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-14	178	-65.9	-62.3	-74.5	0	0	112.4	R159 M162 A163 A178 P182 Y185 D186 D190 I191 V192	R159-M188 HydrophobicContact CG-CE 3.87Å; M162-M188 VanDerWaalsContact C-SD 3.54Å; M162-M188 HydrophobicContact CB-CE 4.12Å; M162-M188 HydrophobicContact CB-SD 3.85Å; M162-M188 HydrophobicContact CG-CE 4.28Å; M162-M188 HydrophobicContact CG-SD 3.48Å; M162-M188 WeakPolarHBondContact CG-SD 3.48Å; A163-M188 VanDerWaalsContact CA-SD 3.51Å; A163-M188 HydrophobicContact CB-CE 3.65Å; A163-M188 HydrophobicContact CB-SD 4.02Å; A163-M188 PolarHBondContact N-SD 2.64Å; A178-M188 HydrophobicContact CB-CG 4.11Å; A178-M188 WeakPolarHBondContact O-CE 3.33Å; P182-M188 HydrophobicContact CB-CB 3.72Å; P182-M188 HydrophobicContact CB-CE 3.98Å; P182-M188 HydrophobicContact CB-CG 4.43Å; P182-M188 WeakPolarHBondContact O-CB 2.95Å; Y185-M188 WeakPolarHBondContact O-CA 3.3Å; Y185-M188 WeakPolarHBondContact O-CB 3.14Å; Y185-M188 PolarHBondContact O-N 3.06Å; D186-M188 VanDerWaalsContact C-N 3.27Å; D186-M188 PolarHBondContact O-N 2.74Å; M188-D190 PolarHBondContact O-N 3.31Å; M188-D190 VanDerWaalsContact O-N 3.11Å; M188-I191 HydrophobicContact CB-CG2 4.24Å; M188-I191 HydrophobicContact CE-CG2 3.73Å; M188-I191 WeakPolarHBondContact O-CG2 3.49Å; M188-I191 PolarHBondContact O-N 2.95Å; M188-I191 HydrophobicContact SD-CG2 4.34Å; M188-V192 PolarHBondContact O-N 3.21Å
189	K	87.3	Confident	87.5	Confident	46 Å²	46	32.6 Å²	32.6	20%	0.2	16%	0.156	C	C	.	.	H	α-helix	trans	-52	-39.6	179.1	-70.8	-174.8	170.8	166.1	0	113.2	Y185 D186 I191 V192 V193 L259	Y185-K189 PolarHBondContact O-N 2.84Å; D186-K189 PolarHBondContact O-N 3.18Å; D186-K189 WeakPolarHBondContact OD1-CE 3.47Å; D186-K189 IonicContact OD1-NZ 2.83Å; D186-K189 PolarHBondContact OD1-NZ 3.32Å; K189-I191 VanDerWaalsContact C-N 3.28Å; K189-I191 PolarHBondContact O-N 3.11Å; K189-V192 WeakPolarHBondContact O-CB 3.41Å; K189-V192 PolarHBondContact O-N 3.49Å; K189-V193 VanDerWaalsContact O-CG2 3.29Å; K189-V193 WeakPolarHBondContact O-CG2 3.41Å; K189-V193 PolarHBondContact O-N 3.14Å; K189-L259 HydrophobicContact CB-CD1 3.68Å; K189-L259 HydrophobicContact CD-CD1 4.11Å; K189-L259 HydrophobicContact CG-CD1 3.7Å
190	D	91.7	Very high	87	Confident	60 Å²	60	32.4 Å²	32.4	32%	0.321	16%	0.155	S	C	.	.	H	α-helix	trans	-64.9	-29.3	179.8	-80	14.3	0	0	0	113.8	M188 Q194 K251 K255	M188-D190 PolarHBondContact O-N 3.31Å; M188-D190 VanDerWaalsContact O-N 3.11Å; D190-Q194 WeakPolarHBondContact O-CB 3.25Å; D190-Q194 PolarHBondContact O-N 3.16Å; D190-Q194 VanDerWaalsContact O-N 3.1Å; D190-K251 IonicContact OD2-NZ 3.98Å; D190-K255 IonicContact OD1-NZ 3.84Å; D190-K255 PolarHBondContact OD1-NZ 3.34Å
191	I	91.4	Very high	87	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-75	-36.5	175.4	-167.8	66.5	0	0	0	110.8	R158 R159 M162 P182 M188 K189 V193 Q194 E195	R158-I191 HydrophobicContact CG-CD1 3.8Å; R159-I191 HydrophobicContact CB-CG1 4.38Å; R159-I191 HydrophobicContact CG-CG1 4.39Å; R159-I191 HydrophobicContact CG-CG2 4.28Å; M162-I191 HydrophobicContact CG-CB 4.49Å; M162-I191 HydrophobicContact CG-CG2 4.45Å; P182-I191 HydrophobicContact CB-CG2 4.25Å; M188-I191 HydrophobicContact CB-CG2 4.24Å; M188-I191 HydrophobicContact CE-CG2 3.73Å; M188-I191 WeakPolarHBondContact O-CG2 3.49Å; M188-I191 PolarHBondContact O-N 2.95Å; M188-I191 HydrophobicContact SD-CG2 4.34Å; K189-I191 VanDerWaalsContact C-N 3.28Å; K189-I191 PolarHBondContact O-N 3.11Å; I191-V193 VanDerWaalsContact C-N 3.33Å; I191-V193 PolarHBondContact O-N 3.2Å; I191-Q194 PolarHBondContact O-N 2.87Å; I191-E195 HydrophobicContact CD1-CG 4.44Å; I191-E195 HydrophobicContact CG1-CG 4.3Å; I191-E195 VanDerWaalsContact O-CB 3.3Å; I191-E195 WeakPolarHBondContact O-CB 3.5Å; I191-E195 VanDerWaalsContact O-CG 3.25Å; I191-E195 WeakPolarHBondContact O-CG 3.42Å; I191-E195 PolarHBondContact O-N 3.35Å
192	V	86.4	Confident	87.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-45.7	173.9	-176.4	0	0	0	0	110.5	H29 P182 M188 K189 E195 T196 I258 L259	H29-V192 HydrophobicContact CB-CG1 3.52Å; P182-V192 HydrophobicContact CB-CG2 3.62Å; P182-V192 HydrophobicContact CG-CG2 3.62Å; M188-V192 PolarHBondContact O-N 3.21Å; K189-V192 WeakPolarHBondContact O-CB 3.41Å; K189-V192 PolarHBondContact O-N 3.49Å; V192-E195 PolarHBondContact O-N 3.17Å; V192-T196 WeakPolarHBondContact O-CB 3.15Å; V192-T196 PolarHBondContact O-N 2.9Å; V192-T196 PolarHBondContact O-OG1 3.25Å; V192-I258 HydrophobicContact CG1-CD1 4.16Å; V192-L259 HydrophobicContact CB-CD1 4.41Å
193	V	87.3	Confident	87.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-51.5	177	-177.8	0	0	0	0	111.3	K189 I191 E195 T196 M197 K251 T254 K255 I258 L259	K189-V193 VanDerWaalsContact O-CG2 3.29Å; K189-V193 WeakPolarHBondContact O-CG2 3.41Å; K189-V193 PolarHBondContact O-N 3.14Å; I191-V193 VanDerWaalsContact C-N 3.33Å; I191-V193 PolarHBondContact O-N 3.2Å; V193-E195 VanDerWaalsContact C-N 3.29Å; V193-E195 PolarHBondContact O-N 2.93Å; V193-T196 PolarHBondContact O-N 3.32Å; V193-M197 HydrophobicContact CG1-CG 4.45Å; V193-M197 HydrophobicContact CG1-SD 4.27Å; V193-M197 WeakPolarHBondContact O-CG 3.08Å; V193-M197 PolarHBondContact O-N 2.74Å; V193-K251 HydrophobicContact CG1-CG 3.62Å; V193-K251 WeakPolarHBondContact CG1-O 3.37Å; V193-T254 HydrophobicContact CG1-CG2 4.09Å; V193-K255 HydrophobicContact CG1-CB 4.31Å; V193-K255 HydrophobicContact CG2-CB 3.62Å; V193-K255 HydrophobicContact CG2-CD 4.26Å; V193-K255 HydrophobicContact CG2-CG 3.73Å; V193-I258 VanDerWaalsContact CA-CD1 3.49Å; V193-I258 HydrophobicContact CB-CD1 4.02Å; V193-I258 HydrophobicContact CG1-CD1 4.46Å; V193-I258 HydrophobicContact CG2-CD1 3.62Å; V193-I258 HydrophobicContact CG2-CG1 4.22Å; V193-L259 HydrophobicContact CG2-CD1 4.48Å
194	Q	90.5	Very high	87.8	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-57.6	-45.7	-179	171.8	170.3	0.6	0	0	111.6	D190 I191 T196 M197 E198	D190-Q194 WeakPolarHBondContact O-CB 3.25Å; D190-Q194 PolarHBondContact O-N 3.16Å; D190-Q194 VanDerWaalsContact O-N 3.1Å; I191-Q194 PolarHBondContact O-N 2.87Å; Q194-T196 VanDerWaalsContact C-N 3.34Å; Q194-M197 PolarHBondContact O-N 2.64Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.36Å; Q194-E198 PolarHBondContact NE2-OE1 2.82Å; Q194-E198 WeakPolarHBondContact O-CG 3.46Å; Q194-E198 PolarHBondContact O-N 3.38Å
195	E	86.9	Confident	88.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-36.7	-179.7	-76.6	-174.7	-177.3	0	0	112.8	R155 R159 I191 V192 V193 E198 D199	R155-E195 HydrophobicContact CG-CG 3.96Å; R155-E195 WeakPolarHBondContact CG-OE1 2.92Å; R155-E195 IonicContact CZ-OE2 2.59Å; R155-E195 IonicContact NE-OE1 3.37Å; R155-E195 IonicContact NE-OE2 3.97Å; R155-E195 PolarHBondContact NE-OE2 3.08Å; R155-E195 IonicContact NH2-OE2 3.73Å; R155-E195 PolarHBondContact NH2-OE2 2.85Å; R159-E195 IonicContact CZ-OE1 3.28Å; R159-E195 IonicContact CZ-OE2 2.82Å; R159-E195 IonicContact NE-OE1 3.43Å; R159-E195 PolarHBondContact NE-OE1 3.24Å; R159-E195 VanDerWaalsContact NE-OE1 3.09Å; R159-E195 IonicContact NE-OE2 3.25Å; R159-E195 PolarHBondContact NE-OE2 2.82Å; R159-E195 IonicContact NH2-OE1 3.46Å; R159-E195 PolarHBondContact NH2-OE1 3.13Å; R159-E195 IonicContact NH2-OE2 3.23Å; R159-E195 PolarHBondContact NH2-OE2 3.05Å; I191-E195 HydrophobicContact CD1-CG 4.44Å; I191-E195 HydrophobicContact CG1-CG 4.3Å; I191-E195 VanDerWaalsContact O-CB 3.3Å; I191-E195 WeakPolarHBondContact O-CB 3.5Å; I191-E195 VanDerWaalsContact O-CG 3.25Å; I191-E195 WeakPolarHBondContact O-CG 3.42Å; I191-E195 PolarHBondContact O-N 3.35Å; V192-E195 PolarHBondContact O-N 3.17Å; V193-E195 VanDerWaalsContact C-N 3.29Å; V193-E195 PolarHBondContact O-N 2.93Å; E195-E198 PolarHBondContact O-N 2.94Å; E195-D199 PolarHBondContact O-N 2.86Å; E195-D199 VanDerWaalsContact O-N 3.09Å
196	T	82.2	Confident	88.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-42.2	175	-54.7	0	0	0	0	110.8	V192 V193 Q194 D199 I200 I258	V192-T196 WeakPolarHBondContact O-CB 3.15Å; V192-T196 PolarHBondContact O-N 2.9Å; V192-T196 PolarHBondContact O-OG1 3.25Å; V193-T196 PolarHBondContact O-N 3.32Å; Q194-T196 VanDerWaalsContact C-N 3.34Å; T196-D199 PolarHBondContact O-N 3.02Å; T196-I200 HydrophobicContact CG2-CD1 3.77Å; T196-I200 WeakPolarHBondContact O-CG1 3.48Å; T196-I200 PolarHBondContact O-N 3.36Å; T196-I258 HydrophobicContact CG2-CG2 4.14Å
197	M	85.8	Confident	89	Confident	18 Å²	18	44.3 Å²	44.3	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-45.1	173.6	-66.8	-175.2	81.6	0	0	111.5	V193 Q194 D199 I200 D201 G206 I208 K251 T254	V193-M197 HydrophobicContact CG1-CG 4.45Å; V193-M197 HydrophobicContact CG1-SD 4.27Å; V193-M197 WeakPolarHBondContact O-CG 3.08Å; V193-M197 PolarHBondContact O-N 2.74Å; Q194-M197 PolarHBondContact O-N 2.64Å; M197-D199 PolarHBondContact O-N 3.06Å; M197-I200 PolarHBondContact O-N 3.12Å; M197-I200 VanDerWaalsContact O-N 3.14Å; M197-D201 WeakPolarHBondContact O-CB 3.36Å; M197-D201 PolarHBondContact O-N 2.89Å; M197-G206 WeakPolarHBondContact CE-O 3.38Å; M197-I208 HydrophobicContact CG-CD1 4.15Å; M197-K251 HydrophobicContact SD-CB 4Å; M197-K251 HydrophobicContact SD-CG 4.07Å; M197-T254 HydrophobicContact CG-CG2 3.87Å
198	E	85.5	Confident	88.8	Confident	94 Å²	94	40.9 Å²	40.9	44%	0.439	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-27.4	177.4	-74.4	170.3	-172.3	0	0	113.3	R158 Q194 E195	R158-E198 IonicContact CZ-OE1 3.17Å; R158-E198 IonicContact CZ-OE2 3.32Å; R158-E198 VanDerWaalsContact NH1-CD 3.32Å; R158-E198 IonicContact NH1-OE1 3.77Å; R158-E198 PolarHBondContact NH1-OE1 3.37Å; R158-E198 IonicContact NH1-OE2 2.92Å; R158-E198 PolarHBondContact NH1-OE2 3.09Å; R158-E198 VanDerWaalsContact NH1-OE2 3.11Å; R158-E198 IonicContact NH2-OE1 2.58Å; R158-E198 IonicContact NH2-OE2 3.52Å; R158-E198 PolarHBondContact NH2-OE2 2.77Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.36Å; Q194-E198 PolarHBondContact NE2-OE1 2.82Å; Q194-E198 WeakPolarHBondContact O-CG 3.46Å; Q194-E198 PolarHBondContact O-N 3.38Å; E195-E198 PolarHBondContact O-N 2.94Å
199	D	80.5	Confident	88.9	Confident	44 Å²	44	43.5 Å²	43.5	24%	0.235	24%	0.236	C	C	.	.	H	α-helix	trans	-78.8	-35.8	175.9	-71.9	-28.7	0	0	0	112	R155 E195 T196 M197 K202	R155-D199 IonicContact CZ-OD1 3.35Å; R155-D199 IonicContact CZ-OD2 3.65Å; R155-D199 VanDerWaalsContact CZ-OD2 3.25Å; R155-D199 IonicContact NH1-OD1 3.11Å; R155-D199 PolarHBondContact NH1-OD1 3.32Å; R155-D199 IonicContact NH1-OD2 3.09Å; R155-D199 PolarHBondContact NH1-OD2 3.15Å; R155-D199 IonicContact NH2-OD2 3.48Å; R155-D199 PolarHBondContact NH2-OD2 3.32Å; E195-D199 PolarHBondContact O-N 2.86Å; E195-D199 VanDerWaalsContact O-N 3.09Å; T196-D199 PolarHBondContact O-N 3.02Å; M197-D199 PolarHBondContact O-N 3.06Å; D199-K202 PolarHBondContact O-NZ 3.09Å
200	I	82.7	Confident	89	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-92.9	-45.8	-173.7	-61.4	172.8	0	0	0	112.5	T196 M197 K202 I208 E212 D216 W257	T196-I200 HydrophobicContact CG2-CD1 3.77Å; T196-I200 WeakPolarHBondContact O-CG1 3.48Å; T196-I200 PolarHBondContact O-N 3.36Å; M197-I200 PolarHBondContact O-N 3.12Å; M197-I200 VanDerWaalsContact O-N 3.14Å; I200-K202 WeakPolarHBondContact O-CD 3.46Å; I200-K202 WeakPolarHBondContact O-CG 3.39Å; I200-K202 PolarHBondContact O-N 2.97Å; I200-I208 HydrophobicContact CB-CD1 4Å; I200-I208 HydrophobicContact CB-CG1 4.15Å; I200-I208 HydrophobicContact CD1-CD1 4.04Å; I200-I208 HydrophobicContact CG2-CB 4.32Å; I200-I208 HydrophobicContact CG2-CD1 4.01Å; I200-I208 HydrophobicContact CG2-CG1 3.91Å; I200-I208 HydrophobicContact CG2-CG2 3.54Å; I200-E212 HydrophobicContact CG2-CB 4.07Å; I200-D216 HydrophobicContact CG1-CB 4.33Å; I200-D216 HydrophobicContact CG2-CB 4.43Å; I200-W257 HydrophobicContact CD1-CH2 3.71Å; I200-W257 HydrophobicContact CD1-CZ3 3.69Å
201	D	89.9	Confident	89	Confident	18 Å²	18	45.9 Å²	45.9	10%	0.096	25%	0.247	C	C	.	.			trans	-66.6	91.5	179.9	177	6.3	0	0	0	110.1	M197 N203 A204 D205 G206 F207	M197-D201 WeakPolarHBondContact O-CB 3.36Å; M197-D201 PolarHBondContact O-N 2.89Å; D201-N203 VanDerWaalsContact C-N 3.31Å; D201-N203 PolarHBondContact OD1-N 2.67Å; D201-N203 PolarHBondContact OD1-OD1 2.95Å; D201-A204 VanDerWaalsContact OD1-CA 3.29Å; D201-A204 WeakPolarHBondContact OD1-CA 3.46Å; D201-A204 PolarHBondContact OD1-N 2.7Å; D201-A204 VanDerWaalsContact OD2-CA 3.26Å; D201-A204 WeakPolarHBondContact OD2-CA 3.5Å; D201-D205 PolarHBondContact OD1-N 3.11Å; D201-D205 PolarHBondContact OD2-N 3.32Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; D201-G206 PolarHBondContact OD2-N 3.21Å; D201-F207 WeakPolarHBondContact CB-O 3.38Å; D201-F207 VanDerWaalsContact CG-O 3.26Å
202	K	87.9	Confident	88.9	Confident	151 Å²	151	46.6 Å²	46.6	66%	0.657	25%	0.251	S	S	*	.	S	Bend	trans	-75.9	-26	-176.7	-58.6	-49.2	-179.4	-171.3	0	111.4	D199 I200 E212	D199-K202 PolarHBondContact O-NZ 3.09Å; I200-K202 WeakPolarHBondContact O-CD 3.46Å; I200-K202 WeakPolarHBondContact O-CG 3.39Å; I200-K202 PolarHBondContact O-N 2.97Å; K202-E212 PolarHBondContact N-OE1 2.82Å
203	N	91.6	Very high	88.8	Confident	82 Å²	82	46.6 Å²	46.6	44%	0.439	25%	0.251	S	S	.	.	S	Bend	trans	-91.5	-11.1	-176.2	78.1	52.9	0	0	0	113	D201 D205 E212	D201-N203 VanDerWaalsContact C-N 3.31Å; D201-N203 PolarHBondContact OD1-N 2.67Å; D201-N203 PolarHBondContact OD1-OD1 2.95Å; N203-D205 VanDerWaalsContact C-N 3.34Å; N203-D205 WeakPolarHBondContact OD1-CB 3.42Å; N203-D205 PolarHBondContact OD1-N 2.58Å; N203-D205 PolarHBondContact OD1-OD1 2.92Å; N203-E212 PolarHBondContact N-OE1 3.47Å; N203-E212 VanDerWaalsContact N-OE1 3.08Å; N203-E212 PolarHBondContact ND2-OE1 3.48Å
204	A	91.5	Very high	88.7	Confident	85 Å²	85	46.8 Å²	46.8	70%	0.702	25%	0.252	S	S	*	.			trans	59.8	34.8	179.2	0	0	0	0	0	114	D201 G206	D201-A204 VanDerWaalsContact OD1-CA 3.29Å; D201-A204 WeakPolarHBondContact OD1-CA 3.46Å; D201-A204 PolarHBondContact OD1-N 2.7Å; D201-A204 VanDerWaalsContact OD2-CA 3.26Å; D201-A204 WeakPolarHBondContact OD2-CA 3.5Å; A204-G206 VanDerWaalsContact C-N 3.32Å
205	D	94.2	Very high	88.2	Confident	86 Å²	86	45.1 Å²	45.1	46%	0.46	25%	0.253	S	S	.	.	S	Bend	trans	-85.6	-4.9	174.9	80.9	-3.3	0	0	0	113.7	D201 N203 F207	D201-D205 PolarHBondContact OD1-N 3.11Å; D201-D205 PolarHBondContact OD2-N 3.32Å; N203-D205 VanDerWaalsContact C-N 3.34Å; N203-D205 WeakPolarHBondContact OD1-CB 3.42Å; N203-D205 PolarHBondContact OD1-N 2.58Å; N203-D205 PolarHBondContact OD1-OD1 2.92Å; D205-F207 WeakPolarHBondContact O-CD2 3.28Å; D205-F207 WeakPolarHBondContact OD1-CB 3.31Å; D205-F207 PolarHBondContact OD1-N 3.43Å
206	G	92.9	Very high	87.7	Confident	41 Å²	41	47.1 Å²	47.1	42%	0.423	26%	0.264	S	S	.	.	S	Bend	trans	85.6	14.6	178.6	0	0	0	0	0	113.9	M197 D201 A204	M197-G206 WeakPolarHBondContact CE-O 3.38Å; D201-G206 WeakPolarHBondContact OD2-CA 3.48Å; D201-G206 PolarHBondContact OD2-N 3.21Å; A204-G206 VanDerWaalsContact C-N 3.32Å
207	F	95.6	Very high	87.2	Confident	62 Å²	62	50.7 Å²	50.7	27%	0.272	28%	0.282	S	S	.	.	S	Bend	trans	-132	160.4	175.2	-58.1	-91.7	0	0	0	109.9	D201 D205 K248 M249 D250	D201-F207 WeakPolarHBondContact CB-O 3.38Å; D201-F207 VanDerWaalsContact CG-O 3.26Å; D205-F207 WeakPolarHBondContact O-CD2 3.28Å; D205-F207 WeakPolarHBondContact OD1-CB 3.31Å; D205-F207 PolarHBondContact OD1-N 3.43Å; F207-K248 HydrophobicContact CB-CB 4.1Å; F207-K248 HydrophobicContact CB-CD 3.71Å; F207-K248 HydrophobicContact CB-CG 4.17Å; F207-K248 HydrophobicContact CD1-CD 3.8Å; F207-K248 HydrophobicContact CD1-CG 4.13Å; F207-K248 HydrophobicContact CD2-CD 4.2Å; F207-K248 HydrophobicContact CG-CD 3.63Å; F207-K248 HydrophobicContact CG-CG 4.3Å; F207-M249 WeakPolarHBondContact CA-O 3.23Å; F207-D250 HydrophobicContact CD1-CB 4.05Å; F207-D250 HydrophobicContact CE1-CB 3.98Å
208	I	90.7	Very high	86.6	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.4	171.5	-63.2	168.8	0	0	0	107.5	M197 I200 E212 K248 M249 T254 W257	M197-I208 HydrophobicContact CG-CD1 4.15Å; I200-I208 HydrophobicContact CB-CD1 4Å; I200-I208 HydrophobicContact CB-CG1 4.15Å; I200-I208 HydrophobicContact CD1-CD1 4.04Å; I200-I208 HydrophobicContact CG2-CB 4.32Å; I200-I208 HydrophobicContact CG2-CD1 4.01Å; I200-I208 HydrophobicContact CG2-CG1 3.91Å; I200-I208 HydrophobicContact CG2-CG2 3.54Å; I208-E212 HydrophobicContact CG2-CB 4.22Å; I208-K248 CarbonylContact O-C 3.53Å; I208-K248 WeakPolarHBondContact O-CA 3.37Å; I208-M249 HydrophobicContact CB-CB 4.27Å; I208-M249 PolarHBondContact N-O 2.65Å; I208-M249 PolarHBondContact O-N 2.83Å; I208-T254 HydrophobicContact CD1-CG2 3.98Å; I208-W257 HydrophobicContact CD1-CZ3 4.42Å
209	D	94.4	Very high	85.9	Confident	54 Å²	54	51.8 Å²	51.8	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	170.1	174	77.1	39.3	0	0	0	112.3	E211 E212 Y213 K248	D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 3.46Å; D209-E211 WeakPolarHBondContact OD1-CA 3.35Å; D209-E211 WeakPolarHBondContact OD1-CB 3.25Å; D209-E211 PolarHBondContact OD1-N 2.9Å; D209-E212 PolarHBondContact N-OE2 2.95Å; D209-E212 PolarHBondContact O-N 3.14Å; D209-E212 PolarHBondContact OD1-N 3.36Å; D209-Y213 WeakPolarHBondContact O-CB 3.46Å; D209-Y213 PolarHBondContact O-N 3.27Å; D209-K248 HydrophobicContact CB-CB 4.48Å
210	L	90.4	Very high	85.2	Confident	42 Å²	42	54.7 Å²	54.7	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-36.4	-178.8	-177.7	65.7	0	0	0	113	I214 R234 F237	L210-I214 HydrophobicContact CD1-CG1 4.23Å; L210-I214 WeakPolarHBondContact O-CB 3.37Å; L210-I214 VanDerWaalsContact O-CG1 3.25Å; L210-I214 WeakPolarHBondContact O-CG1 3.34Å; L210-I214 PolarHBondContact O-N 3.28Å; L210-R234 HydrophobicContact CD1-CB 4.23Å; L210-R234 HydrophobicContact CD1-CG 4.05Å; L210-R234 HydrophobicContact CD2-CG 4.34Å; L210-R234 HydrophobicContact CG-CG 4.4Å; L210-F237 HydrophobicContact CB-CD1 4.46Å; L210-F237 HydrophobicContact CB-CE1 4.28Å; L210-F237 HydrophobicContact CD1-CB 3.7Å; L210-F237 HydrophobicContact CD1-CD1 3.63Å; L210-F237 HydrophobicContact CD1-CD2 4.15Å; L210-F237 HydrophobicContact CD1-CE1 4.26Å; L210-F237 HydrophobicContact CD1-CG 3.56Å
211	E	91.1	Very high	84.2	Confident	115 Å²	115	60.7 Å²	60.7	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-75.1	-31.9	-179.5	-63.3	-55.2	135.2	0	0	111.4	D209 G215 R234	D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 3.46Å; D209-E211 WeakPolarHBondContact OD1-CA 3.35Å; D209-E211 WeakPolarHBondContact OD1-CB 3.25Å; D209-E211 PolarHBondContact OD1-N 2.9Å; E211-G215 VanDerWaalsContact O-CA 3.32Å; E211-G215 WeakPolarHBondContact O-CA 3.3Å; E211-G215 PolarHBondContact O-N 2.8Å; E211-R234 IonicContact OE1-CZ 2.75Å; E211-R234 IonicContact OE1-NH1 2.58Å; E211-R234 PolarHBondContact OE1-NH1 3.37Å; E211-R234 IonicContact OE1-NH2 2.77Å; E211-R234 IonicContact OE2-NH1 3.86Å; E211-R234 IonicContact OE2-NH2 2.82Å; E211-R234 PolarHBondContact OE2-NH2 3.38Å
212	E	89.7	Confident	82.7	Confident	15 Å²	15	63.3 Å²	63.3	7%	0.07	37%	0.371	C	S	.	.	H	α-helix	trans	-69.6	-45.5	171.9	-69.1	171.9	146.6	0	0	111.6	I200 K202 N203 I208 D209 I214 G215 D216	I200-E212 HydrophobicContact CG2-CB 4.07Å; K202-E212 PolarHBondContact N-OE1 2.82Å; N203-E212 PolarHBondContact N-OE1 3.47Å; N203-E212 VanDerWaalsContact N-OE1 3.08Å; N203-E212 PolarHBondContact ND2-OE1 3.48Å; I208-E212 HydrophobicContact CG2-CB 4.22Å; D209-E212 PolarHBondContact N-OE2 2.95Å; D209-E212 PolarHBondContact O-N 3.14Å; D209-E212 PolarHBondContact OD1-N 3.36Å; E212-I214 PolarHBondContact O-N 3.12Å; E212-G215 PolarHBondContact O-N 3.31Å; E212-D216 PolarHBondContact O-N 3.26Å
213	Y	84.4	Confident	81.4	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-57	-49.8	174.9	176.9	-100.2	0	0	0	111.8	D209 M217 E233 F237 R241 M249 W257	D209-Y213 WeakPolarHBondContact O-CB 3.46Å; D209-Y213 PolarHBondContact O-N 3.27Å; Y213-M217 HydrophobicContact CE1-CE 4.41Å; Y213-M217 HydrophobicContact CE1-SD 4.37Å; Y213-M217 HydrophobicContact CE2-CE 3.97Å; Y213-M217 WeakPolarHBondContact OH-CE 3.45Å; Y213-E233 HydrophobicContact CE1-CB 4.35Å; Y213-E233 PolarHBondContact OH-OE2 2.98Å; Y213-F237 HydrophobicContact CD1-CB 4.22Å; Y213-F237 AromaticContact CD1-CD2 3.59Å; Y213-F237 HydrophobicContact CD1-CD2 3.59Å; Y213-F237 HydrophobicContact CD1-CE2 4.4Å; Y213-F237 HydrophobicContact CD1-CG 4.3Å; Y213-F237 AromaticContact CD2-CD2 3.98Å; Y213-F237 HydrophobicContact CD2-CD2 3.98Å; Y213-F237 HydrophobicContact CD2-CE2 4.31Å; Y213-F237 HydrophobicContact CE1-CB 4.24Å; Y213-F237 HydrophobicContact CE1-CD2 4.16Å; Y213-F237 HydrophobicContact CE2-CD2 4.49Å; Y213-F237 AromaticContact CG-CD2 3.51Å; Y213-F237 HydrophobicContact CG-CD2 3.51Å; Y213-F237 AromaticContact CG-CE2 3.91Å; Y213-F237 HydrophobicContact CG-CE2 3.91Å; Y213-R241 PolarHBondContact OH-NH1 3.46Å; Y213-M249 HydrophobicContact CD2-SD 4.36Å; Y213-W257 HydrophobicContact CD2-CH2 4.05Å; Y213-W257 HydrophobicContact CD2-CZ2 4.31Å; Y213-W257 HydrophobicContact CD2-CZ3 4.32Å; Y213-W257 HydrophobicContact CE2-CD2 4.44Å; Y213-W257 AromaticContact CE2-CE2 3.98Å; Y213-W257 AromaticContact CE2-CH2 3.9Å; Y213-W257 HydrophobicContact CE2-CH2 3.9Å; Y213-W257 AromaticContact CE2-CZ2 3.68Å; Y213-W257 HydrophobicContact CE2-CZ2 3.68Å; Y213-W257 HydrophobicContact CE2-CZ3 4.38Å
214	I	83.6	Confident	79.9	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-70.6	-38.5	177.8	-65.1	-59.7	0	0	0	111.2	L210 E212 D216 M217 Y218 V230 E233 R234	L210-I214 HydrophobicContact CD1-CG1 4.23Å; L210-I214 WeakPolarHBondContact O-CB 3.37Å; L210-I214 VanDerWaalsContact O-CG1 3.25Å; L210-I214 WeakPolarHBondContact O-CG1 3.34Å; L210-I214 PolarHBondContact O-N 3.28Å; E212-I214 PolarHBondContact O-N 3.12Å; I214-D216 PolarHBondContact O-N 2.92Å; I214-M217 PolarHBondContact O-N 3.37Å; I214-Y218 PolarHBondContact O-N 2.82Å; I214-V230 HydrophobicContact CD1-CG1 4.11Å; I214-V230 HydrophobicContact CG2-CG1 3.52Å; I214-E233 HydrophobicContact CD1-CB 3.84Å; I214-R234 HydrophobicContact CD1-CG 3.66Å; I214-R234 HydrophobicContact CG1-CG 3.67Å
215	G	81	Confident	79.1	Confident	35 Å²	35	66.2 Å²	66.2	36%	0.361	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-27.4	179.9	0	0	0	0	0	113.5	E211 E212	E211-G215 VanDerWaalsContact O-CA 3.32Å; E211-G215 WeakPolarHBondContact O-CA 3.3Å; E211-G215 PolarHBondContact O-N 2.8Å; E212-G215 PolarHBondContact O-N 3.31Å
216	D	77.1	Confident	78.3	Confident	41 Å²	41	64 Å²	64	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-67.9	-37.3	172.6	-168.9	62.5	0	0	0	112.4	V28 I200 E212 I214	V28-D216 VanDerWaalsContact CG2-OD2 3.24Å; V28-D216 WeakPolarHBondContact CG2-OD2 3.08Å; I200-D216 HydrophobicContact CG1-CB 4.33Å; I200-D216 HydrophobicContact CG2-CB 4.43Å; E212-D216 PolarHBondContact O-N 3.26Å; I214-D216 PolarHBondContact O-N 2.92Å
217	M	71.3	Confident	77.8	Confident	76 Å²	76	64 Å²	64	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-91.6	-31.5	-178.5	-59.9	-177.9	172.6	0	0	113.8	Y213 I214 W229 E233 W257	Y213-M217 HydrophobicContact CE1-CE 4.41Å; Y213-M217 HydrophobicContact CE1-SD 4.37Å; Y213-M217 HydrophobicContact CE2-CE 3.97Å; Y213-M217 WeakPolarHBondContact OH-CE 3.45Å; I214-M217 PolarHBondContact O-N 3.37Å; M217-W229 HydrophobicContact CB-CH2 4.1Å; M217-W229 HydrophobicContact CB-CZ3 4.13Å; M217-E233 HydrophobicContact SD-CG 4.27Å; M217-W257 HydrophobicContact CE-CZ2 4.19Å
218	Y	73.6	Confident	77	Confident	34 Å²	34	67 Å²	67	13%	0.133	38%	0.382	C	S	.	.			trans	-140.5	114.6	-171.7	-179.3	-119.3	0	0	0	111.6	I214 H220 P227 W229 V230	I214-Y218 PolarHBondContact O-N 2.82Å; Y218-H220 AromaticContact CD1-ND1 3.82Å; Y218-H220 AromaticContact CE1-CE1 3.68Å; Y218-H220 AromaticContact CE1-CG 3.95Å; Y218-H220 AromaticContact CE1-ND1 3.34Å; Y218-H220 VanDerWaalsContact CE1-ND1 3.34Å; Y218-H220 WeakPolarHBondContact CE1-ND1 3.34Å; Y218-P227 HydrophobicContact CE2-CG 4.1Å; Y218-W229 HydrophobicContact CD2-CZ2 4.05Å; Y218-W229 HydrophobicContact CG-CH2 4.44Å; Y218-W229 HydrophobicContact CG-CZ2 4.25Å; Y218-V230 HydrophobicContact CD1-CG1 4.3Å; Y218-V230 HydrophobicContact CD1-CG2 3.85Å; Y218-V230 HydrophobicContact CD2-CG2 4.39Å; Y218-V230 HydrophobicContact CE1-CG2 4.48Å; Y218-V230 HydrophobicContact CG-CG2 3.8Å
219	S	69.1	Low	76.4	Confident	100 Å²	100	72.9 Å²	72.9	70%	0.699	40%	0.404	S	S	*	.			trans	-89.3	117.8	168.8	-61.8	0	0	0	0	109.9	D221	S219-D221 PolarHBondContact O-N 2.93Å
220	H	65.9	Low	75.5	Confident	106 Å²	106	70.3 Å²	70.3	49%	0.491	39%	0.39	S	S	.	.			trans	-60.5	107.4	172.5	-106.4	78.5	0	0	0	110.1	Y218 G222 E226	Y218-H220 AromaticContact CD1-ND1 3.82Å; Y218-H220 AromaticContact CE1-CE1 3.68Å; Y218-H220 AromaticContact CE1-CG 3.95Å; Y218-H220 AromaticContact CE1-ND1 3.34Å; Y218-H220 VanDerWaalsContact CE1-ND1 3.34Å; Y218-H220 WeakPolarHBondContact CE1-ND1 3.34Å; H220-G222 PolarHBondContact O-N 3.2Å; H220-E226 IonicContact CE1-OE2 3.14Å
221	D	62.1	Low	75.1	Confident	126 Å²	126	72.3 Å²	72.3	67%	0.674	40%	0.397	S	S	*	.			trans	-87.5	21.1	-179.5	59.9	-21.4	0	0	0	113.2	S219 N223	S219-D221 PolarHBondContact O-N 2.93Å; D221-N223 VanDerWaalsContact C-N 3.33Å
222	G	59.7	Low	74.4	Confident	73 Å²	73	69.8 Å²	69.8	75%	0.753	39%	0.389	S	S	*	.	S	Bend	trans	83.4	4.2	177.8	0	0	0	0	0	114.6	H220	H220-G222 PolarHBondContact O-N 3.2Å
223	N	58.9	Low	73.8	Confident	110 Å²	110	70.7 Å²	70.7	59%	0.588	39%	0.393	S	S	*	.			trans	-74.2	139.3	164.6	-118.6	-17.4	0	0	0	110.1	D221	D221-N223 VanDerWaalsContact C-N 3.33Å
224	T	61.4	Low	73.9	Confident	130 Å²	130	72.6 Å²	72.6	80%	0.798	40%	0.401	S	S	*	.	S	Bend	trans	-79.8	-15.2	-171.2	19.5	0	0	0	0	115.3
225	D	74.6	Confident	74	Confident	140 Å²	140	78.4 Å²	78.4	75%	0.749	43%	0.428	S	S	*	.	S	Bend	trans	-114	115.4	-175.2	-68.8	-43.7	0	0	0	110.7
226	E	77.5	Confident	73.9	Confident	40 Å²	40	79.9 Å²	79.9	19%	0.187	43%	0.425	C	S	.	.			trans	-65.1	130.8	176.9	-172.8	173.5	103.2	0	0	110.7	H220 V230 K231 R234	H220-E226 IonicContact CE1-OE2 3.14Å; E226-V230 HydrophobicContact CG-CB 3.61Å; E226-V230 HydrophobicContact CG-CG1 3.49Å; E226-V230 VanDerWaalsContact CG-CG1 3.49Å; E226-V230 HydrophobicContact CG-CG2 4.33Å; E226-V230 WeakPolarHBondContact OE1-CG1 3.48Å; E226-K231 WeakPolarHBondContact O-CE 3.4Å; E226-R234 VanDerWaalsContact CD-NE 3.29Å; E226-R234 VanDerWaalsContact OE1-CD 3.27Å; E226-R234 WeakPolarHBondContact OE1-CD 3.49Å; E226-R234 IonicContact OE1-CZ 3.79Å; E226-R234 IonicContact OE1-NE 3.91Å; E226-R234 PolarHBondContact OE1-NE 3.29Å; E226-R234 IonicContact OE2-CZ 2.68Å; E226-R234 IonicContact OE2-NE 3.35Å; E226-R234 PolarHBondContact OE2-NE 3.05Å; E226-R234 IonicContact OE2-NH2 3.93Å; E226-R234 PolarHBondContact OE2-NH2 3Å
227	P	81.7	Confident	74.3	Confident	39 Å²	39	78 Å²	78	25%	0.253	42%	0.415	S	S	.	.			trans	-58	149.7	179	-22.7	31.1	0	0	0	112.9	Y218 W229 V230 K231	Y218-P227 HydrophobicContact CE2-CG 4.1Å; P227-W229 VanDerWaalsContact C-N 3.27Å; P227-W229 VanDerWaalsContact CB-CD1 3.47Å; P227-W229 HydrophobicContact CB-CG 4.31Å; P227-W229 PolarHBondContact O-N 2.88Å; P227-V230 HydrophobicContact CB-CG2 4.06Å; P227-V230 HydrophobicContact CG-CG2 4.04Å; P227-V230 WeakPolarHBondContact O-CB 3.47Å; P227-V230 PolarHBondContact O-N 3.29Å; P227-K231 PolarHBondContact O-N 3.41Å
228	E	78.5	Confident	75	Confident	127 Å²	127	77.8 Å²	77.8	59%	0.593	42%	0.418	S	S	*	.	H	α-helix	trans	-62.4	-33.9	-177.1	-161.4	64.6	-167.9	0	0	113	V230 K231 T232	E228-V230 VanDerWaalsContact C-N 3.28Å; E228-V230 PolarHBondContact O-N 2.71Å; E228-K231 PolarHBondContact O-N 3.42Å; E228-K231 IonicContact OE2-NZ 2.77Å; E228-K231 PolarHBondContact OE2-NZ 3.3Å; E228-T232 PolarHBondContact O-N 3.1Å; E228-T232 PolarHBondContact O-OG1 2.86Å
229	W	77.8	Confident	75.6	Confident	122 Å²	122	82.1 Å²	82.1	46%	0.462	44%	0.439	S	S	.	.	H	α-helix	trans	-63.8	-34.3	175.6	71.7	-98.5	0	0	0	112.2	M217 Y218 P227 T232 E233	M217-W229 HydrophobicContact CB-CH2 4.1Å; M217-W229 HydrophobicContact CB-CZ3 4.13Å; Y218-W229 HydrophobicContact CD2-CZ2 4.05Å; Y218-W229 HydrophobicContact CG-CH2 4.44Å; Y218-W229 HydrophobicContact CG-CZ2 4.25Å; P227-W229 VanDerWaalsContact C-N 3.27Å; P227-W229 VanDerWaalsContact CB-CD1 3.47Å; P227-W229 HydrophobicContact CB-CG 4.31Å; P227-W229 PolarHBondContact O-N 2.88Å; W229-T232 WeakPolarHBondContact O-CB 3.42Å; W229-T232 PolarHBondContact O-N 2.98Å; W229-E233 HydrophobicContact CE3-CG 4.1Å; W229-E233 HydrophobicContact CZ3-CG 4.33Å; W229-E233 PolarHBondContact O-N 2.94Å
230	V	77	Confident	76.1	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-68	-39.5	177	-179.3	0	0	0	0	110.3	I214 Y218 E226 P227 E228 T232 E233 R234	I214-V230 HydrophobicContact CD1-CG1 4.11Å; I214-V230 HydrophobicContact CG2-CG1 3.52Å; Y218-V230 HydrophobicContact CD1-CG1 4.3Å; Y218-V230 HydrophobicContact CD1-CG2 3.85Å; Y218-V230 HydrophobicContact CD2-CG2 4.39Å; Y218-V230 HydrophobicContact CE1-CG2 4.48Å; Y218-V230 HydrophobicContact CG-CG2 3.8Å; E226-V230 HydrophobicContact CG-CB 3.61Å; E226-V230 HydrophobicContact CG-CG1 3.49Å; E226-V230 VanDerWaalsContact CG-CG1 3.49Å; E226-V230 HydrophobicContact CG-CG2 4.33Å; E226-V230 WeakPolarHBondContact OE1-CG1 3.48Å; P227-V230 HydrophobicContact CB-CG2 4.06Å; P227-V230 HydrophobicContact CG-CG2 4.04Å; P227-V230 WeakPolarHBondContact O-CB 3.47Å; P227-V230 PolarHBondContact O-N 3.29Å; E228-V230 VanDerWaalsContact C-N 3.28Å; E228-V230 PolarHBondContact O-N 2.71Å; V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.14Å; V230-E233 PolarHBondContact O-N 2.91Å; V230-R234 WeakPolarHBondContact O-CG 3.41Å; V230-R234 PolarHBondContact O-N 3.17Å
231	K	80.5	Confident	77	Confident	85 Å²	85	80.8 Å²	80.8	37%	0.37	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-43.4	173.9	-61.2	180	-161.4	153.3	0	111.6	E226 P227 E228 E233 R234 E235	E226-K231 WeakPolarHBondContact O-CE 3.4Å; P227-K231 PolarHBondContact O-N 3.41Å; E228-K231 PolarHBondContact O-N 3.42Å; E228-K231 IonicContact OE2-NZ 2.77Å; E228-K231 PolarHBondContact OE2-NZ 3.3Å; K231-E233 VanDerWaalsContact C-N 3.32Å; K231-E233 PolarHBondContact O-N 3.49Å; K231-R234 WeakPolarHBondContact O-CB 3.32Å; K231-R234 PolarHBondContact O-N 3.23Å; K231-E235 WeakPolarHBondContact O-CG 3.49Å; K231-E235 PolarHBondContact O-N 2.96Å
232	T	77.3	Confident	78.4	Confident	61 Å²	61	75 Å²	75	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-42	174.5	-55.6	0	0	0	0	111.3	E228 W229 V230 E235 Q236	E228-T232 PolarHBondContact O-N 3.1Å; E228-T232 PolarHBondContact O-OG1 2.86Å; W229-T232 WeakPolarHBondContact O-CB 3.42Å; W229-T232 PolarHBondContact O-N 2.98Å; V230-T232 VanDerWaalsContact C-N 3.34Å; V230-T232 PolarHBondContact O-N 3.14Å; T232-E235 PolarHBondContact O-N 3.49Å; T232-Q236 WeakPolarHBondContact O-CG 3.35Å; T232-Q236 PolarHBondContact O-N 3.31Å
233	E	77.3	Confident	79.8	Confident	34 Å²	34	77.4 Å²	77.4	16%	0.159	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-37.8	175.6	-77.3	-55.2	128.9	0	0	112.4	Y213 I214 M217 W229 V230 K231 E235 Q236 F237	Y213-E233 HydrophobicContact CE1-CB 4.35Å; Y213-E233 PolarHBondContact OH-OE2 2.98Å; I214-E233 HydrophobicContact CD1-CB 3.84Å; M217-E233 HydrophobicContact SD-CG 4.27Å; W229-E233 HydrophobicContact CE3-CG 4.1Å; W229-E233 HydrophobicContact CZ3-CG 4.33Å; W229-E233 PolarHBondContact O-N 2.94Å; V230-E233 PolarHBondContact O-N 2.91Å; K231-E233 VanDerWaalsContact C-N 3.32Å; K231-E233 PolarHBondContact O-N 3.49Å; E233-E235 VanDerWaalsContact C-N 3.33Å; E233-E235 PolarHBondContact O-N 2.77Å; E233-Q236 PolarHBondContact O-N 2.99Å; E233-Q236 PolarHBondContact OE1-NE2 2.59Å; E233-F237 WeakPolarHBondContact O-CB 3.25Å; E233-F237 PolarHBondContact O-N 3.47Å
234	R	86	Confident	81.4	Confident	42 Å²	42	75.9 Å²	75.9	16%	0.158	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-39.5	172.8	-69.7	-179	-176.9	-84.3	6.6	112	L210 E211 I214 E226 V230 K231 V238	L210-R234 HydrophobicContact CD1-CB 4.23Å; L210-R234 HydrophobicContact CD1-CG 4.05Å; L210-R234 HydrophobicContact CD2-CG 4.34Å; L210-R234 HydrophobicContact CG-CG 4.4Å; E211-R234 IonicContact OE1-CZ 2.75Å; E211-R234 IonicContact OE1-NH1 2.58Å; E211-R234 PolarHBondContact OE1-NH1 3.37Å; E211-R234 IonicContact OE1-NH2 2.77Å; E211-R234 IonicContact OE2-NH1 3.86Å; E211-R234 IonicContact OE2-NH2 2.82Å; E211-R234 PolarHBondContact OE2-NH2 3.38Å; I214-R234 HydrophobicContact CD1-CG 3.66Å; I214-R234 HydrophobicContact CG1-CG 3.67Å; E226-R234 VanDerWaalsContact CD-NE 3.29Å; E226-R234 VanDerWaalsContact OE1-CD 3.27Å; E226-R234 WeakPolarHBondContact OE1-CD 3.49Å; E226-R234 IonicContact OE1-CZ 3.79Å; E226-R234 IonicContact OE1-NE 3.91Å; E226-R234 PolarHBondContact OE1-NE 3.29Å; E226-R234 IonicContact OE2-CZ 2.68Å; E226-R234 IonicContact OE2-NE 3.35Å; E226-R234 PolarHBondContact OE2-NE 3.05Å; E226-R234 IonicContact OE2-NH2 3.93Å; E226-R234 PolarHBondContact OE2-NH2 3Å; V230-R234 WeakPolarHBondContact O-CG 3.41Å; V230-R234 PolarHBondContact O-N 3.17Å; K231-R234 WeakPolarHBondContact O-CB 3.32Å; K231-R234 PolarHBondContact O-N 3.23Å; R234-V238 WeakPolarHBondContact O-CG2 3.41Å; R234-V238 PolarHBondContact O-N 3.19Å
235	E	86.1	Confident	82.9	Confident	126 Å²	126	78.4 Å²	78.4	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-65.4	-45.5	174	-70.2	177.6	175.7	0	0	111	K231 T232 E233 F237 V238 E239	K231-E235 WeakPolarHBondContact O-CG 3.49Å; K231-E235 PolarHBondContact O-N 2.96Å; T232-E235 PolarHBondContact O-N 3.49Å; E233-E235 VanDerWaalsContact C-N 3.33Å; E233-E235 PolarHBondContact O-N 2.77Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.82Å; E235-V238 PolarHBondContact O-N 3.34Å; E235-E239 WeakPolarHBondContact O-CB 3.35Å; E235-E239 WeakPolarHBondContact O-CG 3.18Å; E235-E239 PolarHBondContact O-N 3.09Å
236	Q	79.5	Confident	83.9	Confident	65 Å²	65	75.9 Å²	75.9	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-38.1	176.8	-76.6	-166	49.9	0	0	112.7	T232 E233 E239 F240 R241	T232-Q236 WeakPolarHBondContact O-CG 3.35Å; T232-Q236 PolarHBondContact O-N 3.31Å; E233-Q236 PolarHBondContact O-N 2.99Å; E233-Q236 PolarHBondContact OE1-NE2 2.59Å; Q236-E239 PolarHBondContact O-N 3.11Å; Q236-F240 HydrophobicContact CB-CD2 4.44Å; Q236-F240 HydrophobicContact CG-CD2 4.42Å; Q236-F240 WeakPolarHBondContact O-CB 3.39Å; Q236-F240 PolarHBondContact O-N 2.96Å; Q236-R241 PolarHBondContact O-N 3.47Å
237	F	84.3	Confident	84.6	Confident	2 Å²	2	76 Å²	76	1%	0.009	36%	0.362	C	S	.	.	I	π-helix	trans	-56.2	-53.6	175.2	-178.2	-84.4	0	0	0	110.9	L210 Y213 E233 E235 E239 R241 D242 M249	L210-F237 HydrophobicContact CB-CD1 4.46Å; L210-F237 HydrophobicContact CB-CE1 4.28Å; L210-F237 HydrophobicContact CD1-CB 3.7Å; L210-F237 HydrophobicContact CD1-CD1 3.63Å; L210-F237 HydrophobicContact CD1-CD2 4.15Å; L210-F237 HydrophobicContact CD1-CE1 4.26Å; L210-F237 HydrophobicContact CD1-CG 3.56Å; Y213-F237 HydrophobicContact CD1-CB 4.22Å; Y213-F237 AromaticContact CD1-CD2 3.59Å; Y213-F237 HydrophobicContact CD1-CD2 3.59Å; Y213-F237 HydrophobicContact CD1-CE2 4.4Å; Y213-F237 HydrophobicContact CD1-CG 4.3Å; Y213-F237 AromaticContact CD2-CD2 3.98Å; Y213-F237 HydrophobicContact CD2-CD2 3.98Å; Y213-F237 HydrophobicContact CD2-CE2 4.31Å; Y213-F237 HydrophobicContact CE1-CB 4.24Å; Y213-F237 HydrophobicContact CE1-CD2 4.16Å; Y213-F237 HydrophobicContact CE2-CD2 4.49Å; Y213-F237 AromaticContact CG-CD2 3.51Å; Y213-F237 HydrophobicContact CG-CD2 3.51Å; Y213-F237 AromaticContact CG-CE2 3.91Å; Y213-F237 HydrophobicContact CG-CE2 3.91Å; E233-F237 WeakPolarHBondContact O-CB 3.25Å; E233-F237 PolarHBondContact O-N 3.47Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.82Å; F237-E239 PolarHBondContact O-N 3.48Å; F237-R241 HydrophobicContact CD2-CB 4.32Å; F237-R241 WeakPolarHBondContact O-CB 3.27Å; F237-R241 PolarHBondContact O-N 3.06Å; F237-D242 HydrophobicContact CD1-CB 4.16Å; F237-D242 HydrophobicContact CE1-CB 3.82Å; F237-D242 HydrophobicContact CZ-CB 4.44Å; F237-D242 PolarHBondContact O-N 3.33Å; F237-M249 HydrophobicContact CD2-CG 4.39Å; F237-M249 HydrophobicContact CD2-SD 3.94Å; F237-M249 HydrophobicContact CE2-CG 3.55Å; F237-M249 HydrophobicContact CE2-SD 3.49Å; F237-M249 WeakPolarHBondContact CE2-SD 3.44Å; F237-M249 HydrophobicContact CZ-CG 3.77Å; F237-M249 HydrophobicContact CZ-SD 4.32Å
238	V	87.2	Confident	85.3	Confident	71 Å²	71	76.5 Å²	76.5	43%	0.43	36%	0.361	S	S	.	.	I	π-helix	trans	-69.8	-32.3	-176.9	177.9	0	0	0	0	112.3	R234 E235	R234-V238 WeakPolarHBondContact O-CG2 3.41Å; R234-V238 PolarHBondContact O-N 3.19Å; E235-V238 PolarHBondContact O-N 3.34Å
239	E	85	Confident	85.9	Confident	125 Å²	125	70.5 Å²	70.5	58%	0.584	33%	0.332	S	S	*	.	I	π-helix	trans	-83.8	-39.1	-176.9	-72	-163.5	161.1	0	0	113.7	E235 Q236 F237	E235-E239 WeakPolarHBondContact O-CB 3.35Å; E235-E239 WeakPolarHBondContact O-CG 3.18Å; E235-E239 PolarHBondContact O-N 3.09Å; Q236-E239 PolarHBondContact O-N 3.11Å; F237-E239 PolarHBondContact O-N 3.48Å
240	F	81.2	Confident	86.7	Confident	130 Å²	130	67.1 Å²	67.1	57%	0.57	32%	0.323	S	S	*	.	I	π-helix	trans	-122.4	-28.9	-167.4	-61	-73.8	0	0	0	114.7	Q236	Q236-F240 HydrophobicContact CB-CD2 4.44Å; Q236-F240 HydrophobicContact CG-CD2 4.42Å; Q236-F240 WeakPolarHBondContact O-CB 3.39Å; Q236-F240 PolarHBondContact O-N 2.96Å
241	R	83.5	Confident	87.4	Confident	48 Å²	48	70.7 Å²	70.7	18%	0.181	34%	0.339	C	S	.	.	I	π-helix	trans	-94.1	-51.8	-172.8	-53.5	-60.1	-179.4	65.4	3.4	112.3	Y213 Q236 F237 K243 M249 W257	Y213-R241 PolarHBondContact OH-NH1 3.46Å; Q236-R241 PolarHBondContact O-N 3.47Å; F237-R241 HydrophobicContact CD2-CB 4.32Å; F237-R241 WeakPolarHBondContact O-CB 3.27Å; F237-R241 PolarHBondContact O-N 3.06Å; R241-K243 VanDerWaalsContact C-N 3.32Å; R241-K243 PolarHBondContact O-N 2.92Å; R241-M249 HydrophobicContact CB-CE 4Å; R241-M249 HydrophobicContact CB-CG 4.27Å; R241-M249 HydrophobicContact CB-SD 3.65Å; R241-M249 HydrophobicContact CG-SD 4.48Å; R241-W257 VanDerWaalsContact NH1-CE2 3.35Å
242	D	90.9	Very high	88	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.027	35%	0.346	C	S	.	.			trans	-79.9	80.1	171.2	177.5	9.1	0	0	0	109.5	F237 N244 R245 D246 G247	F237-D242 HydrophobicContact CD1-CB 4.16Å; F237-D242 HydrophobicContact CE1-CB 3.82Å; F237-D242 HydrophobicContact CZ-CB 4.44Å; F237-D242 PolarHBondContact O-N 3.33Å; D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 3.42Å; D242-N244 PolarHBondContact OD1-OD1 3.19Å; D242-R245 VanDerWaalsContact CG-CA 3.44Å; D242-R245 PolarHBondContact O-N 2.82Å; D242-R245 WeakPolarHBondContact OD1-CA 3.45Å; D242-R245 PolarHBondContact OD1-N 3.31Å; D242-R245 VanDerWaalsContact OD2-CA 3.25Å; D242-R245 WeakPolarHBondContact OD2-CA 3.41Å; D242-D246 PolarHBondContact OD1-N 2.86Å; D242-D246 VanDerWaalsContact OD1-N 3.15Å; D242-D246 PolarHBondContact OD2-N 2.86Å; D242-G247 VanDerWaalsContact OD2-CA 3.23Å; D242-G247 WeakPolarHBondContact OD2-CA 3.45Å; D242-G247 PolarHBondContact OD2-N 3.46Å
243	K	89.8	Confident	88.7	Confident	123 Å²	123	69.5 Å²	69.5	54%	0.535	33%	0.33	S	S	.	.	S	Bend	trans	-66	-35.3	-175.5	-66.8	-178.2	-178.1	-176.5	0	111	R241 E253 D256	R241-K243 VanDerWaalsContact C-N 3.32Å; R241-K243 PolarHBondContact O-N 2.92Å; K243-E253 HydrophobicContact CB-CG 4.36Å; K243-E253 HydrophobicContact CG-CG 4.44Å; K243-E253 PolarHBondContact N-OE1 2.74Å; K243-D256 IonicContact NZ-OD2 3.72Å; K243-D256 PolarHBondContact NZ-OD2 3.47Å
244	N	93.2	Very high	89.2	Confident	79 Å²	79	67.9 Å²	67.9	42%	0.422	32%	0.323	S	S	.	.	S	Bend	trans	-85.1	-15	-177.2	80.5	53.4	0	0	0	113	D242 D246 E253	D242-N244 VanDerWaalsContact C-N 3.27Å; D242-N244 PolarHBondContact O-N 3.42Å; D242-N244 PolarHBondContact OD1-OD1 3.19Å; N244-D246 WeakPolarHBondContact OD1-CB 3.49Å; N244-D246 PolarHBondContact OD1-N 2.7Å; N244-D246 PolarHBondContact OD1-OD1 3.49Å; N244-E253 PolarHBondContact N-OE1 3.25Å; N244-E253 PolarHBondContact ND2-OE1 3.31Å; N244-E253 PolarHBondContact ND2-OE2 2.78Å
245	R	92.5	Very high	89.2	Confident	182 Å²	182	68.1 Å²	68.1	69%	0.687	33%	0.325	S	S	*	.			trans	64.6	36.7	178.6	-58.2	-177.2	175.4	-170.2	-4.1	114.2	D242	D242-R245 VanDerWaalsContact CG-CA 3.44Å; D242-R245 PolarHBondContact O-N 2.82Å; D242-R245 WeakPolarHBondContact OD1-CA 3.45Å; D242-R245 PolarHBondContact OD1-N 3.31Å; D242-R245 VanDerWaalsContact OD2-CA 3.25Å; D242-R245 WeakPolarHBondContact OD2-CA 3.41Å
246	D	94.6	Very high	89	Confident	87 Å²	87	65 Å²	65	47%	0.465	31%	0.312	S	S	.	.	S	Bend	trans	-91.9	0.8	175.3	78.3	-10.7	0	0	0	113.8	D242 N244 K248	D242-D246 PolarHBondContact OD1-N 2.86Å; D242-D246 VanDerWaalsContact OD1-N 3.15Å; D242-D246 PolarHBondContact OD2-N 2.86Å; N244-D246 WeakPolarHBondContact OD1-CB 3.49Å; N244-D246 PolarHBondContact OD1-N 2.7Å; N244-D246 PolarHBondContact OD1-OD1 3.49Å; D246-K248 WeakPolarHBondContact OD1-CG 3.35Å; D246-K248 PolarHBondContact OD1-N 3.43Å; D246-K248 VanDerWaalsContact OD2-CE 3.23Å; D246-K248 WeakPolarHBondContact OD2-CE 3.29Å
247	G	93.1	Very high	89.1	Confident	42 Å²	42	62.6 Å²	62.6	43%	0.433	30%	0.301	S	S	.	.	S	Bend	trans	93	6.9	174.4	0	0	0	0	0	114.3	D242	D242-G247 VanDerWaalsContact OD2-CA 3.23Å; D242-G247 WeakPolarHBondContact OD2-CA 3.45Å; D242-G247 PolarHBondContact OD2-N 3.46Å
248	K	95.5	Very high	88.6	Confident	51 Å²	51	62.5 Å²	62.5	22%	0.222	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.3	-175.8	56.8	-174.4	-172.6	159.8	0	110.3	F207 I208 D209 D246	F207-K248 HydrophobicContact CB-CB 4.1Å; F207-K248 HydrophobicContact CB-CD 3.71Å; F207-K248 HydrophobicContact CB-CG 4.17Å; F207-K248 HydrophobicContact CD1-CD 3.8Å; F207-K248 HydrophobicContact CD1-CG 4.13Å; F207-K248 HydrophobicContact CD2-CD 4.2Å; F207-K248 HydrophobicContact CG-CD 3.63Å; F207-K248 HydrophobicContact CG-CG 4.3Å; I208-K248 CarbonylContact O-C 3.53Å; I208-K248 WeakPolarHBondContact O-CA 3.37Å; D209-K248 HydrophobicContact CB-CB 4.48Å; D246-K248 WeakPolarHBondContact OD1-CG 3.35Å; D246-K248 PolarHBondContact OD1-N 3.43Å; D246-K248 VanDerWaalsContact OD2-CE 3.23Å; D246-K248 WeakPolarHBondContact OD2-CE 3.29Å
249	M	92	Very high	88	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.4	175.6	-65.1	172.8	63.7	0	0	110.3	F207 I208 Y213 F237 R241 E253 W257	F207-M249 WeakPolarHBondContact CA-O 3.23Å; I208-M249 HydrophobicContact CB-CB 4.27Å; I208-M249 PolarHBondContact N-O 2.65Å; I208-M249 PolarHBondContact O-N 2.83Å; Y213-M249 HydrophobicContact CD2-SD 4.36Å; F237-M249 HydrophobicContact CD2-CG 4.39Å; F237-M249 HydrophobicContact CD2-SD 3.94Å; F237-M249 HydrophobicContact CE2-CG 3.55Å; F237-M249 HydrophobicContact CE2-SD 3.49Å; F237-M249 WeakPolarHBondContact CE2-SD 3.44Å; F237-M249 HydrophobicContact CZ-CG 3.77Å; F237-M249 HydrophobicContact CZ-SD 4.32Å; R241-M249 HydrophobicContact CB-CE 4Å; R241-M249 HydrophobicContact CB-CG 4.27Å; R241-M249 HydrophobicContact CB-SD 3.65Å; R241-M249 HydrophobicContact CG-SD 4.48Å; M249-E253 WeakPolarHBondContact CA-OE2 3.41Å; M249-E253 HydrophobicContact CB-CB 4.13Å; M249-E253 HydrophobicContact CE-CB 4.4Å; M249-E253 WeakPolarHBondContact CE-O 3.49Å; M249-E253 HydrophobicContact CG-CB 4.39Å; M249-W257 HydrophobicContact CE-CB 3.66Å; M249-W257 HydrophobicContact CE-CD2 4.06Å; M249-W257 HydrophobicContact CE-CE3 3.68Å; M249-W257 HydrophobicContact CE-CG 4.09Å; M249-W257 HydrophobicContact SD-CE3 4.4Å
250	D	94.7	Very high	87.3	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.273	26%	0.262	S	S	.	.			trans	-81.7	-177.8	168	73.5	31.8	0	0	0	112.4	F207 E252 E253 T254	F207-D250 HydrophobicContact CD1-CB 4.05Å; F207-D250 HydrophobicContact CE1-CB 3.98Å; D250-E252 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.24Å; D250-E252 WeakPolarHBondContact OD1-CA 3.38Å; D250-E252 PolarHBondContact OD1-N 3.4Å; D250-E253 PolarHBondContact N-OE2 3.19Å; D250-E253 PolarHBondContact O-N 3.17Å; D250-E253 PolarHBondContact OD1-N 3.01Å; D250-T254 VanDerWaalsContact O-CB 3.31Å; D250-T254 WeakPolarHBondContact O-CB 3.46Å; D250-T254 PolarHBondContact O-N 3.14Å; D250-T254 PolarHBondContact O-OG1 3.27Å
251	K	92.5	Very high	86.6	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-37.6	-179.2	-169.5	-177	-179	-170.6	0	112.9	D190 V193 M197 K255	D190-K251 IonicContact OD2-NZ 3.98Å; V193-K251 HydrophobicContact CG1-CG 3.62Å; V193-K251 WeakPolarHBondContact CG1-O 3.37Å; M197-K251 HydrophobicContact SD-CB 4Å; M197-K251 HydrophobicContact SD-CG 4.07Å; K251-K255 VanDerWaalsContact O-CB 3.29Å; K251-K255 WeakPolarHBondContact O-CB 3.29Å; K251-K255 PolarHBondContact O-N 3.4Å
252	E	91.8	Very high	85.8	Confident	109 Å²	109	58.8 Å²	58.8	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-76.2	-40.2	-178.5	-64.6	-61.4	128.8	0	0	110.7	D250 T254 K255 D256	D250-E252 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.24Å; D250-E252 WeakPolarHBondContact OD1-CA 3.38Å; D250-E252 PolarHBondContact OD1-N 3.4Å; E252-T254 VanDerWaalsContact C-N 3.32Å; E252-T254 PolarHBondContact O-N 3.21Å; E252-K255 WeakPolarHBondContact O-CB 3.31Å; E252-K255 PolarHBondContact O-N 3.42Å; E252-D256 PolarHBondContact O-N 2.53Å
253	E	91.3	Very high	84.6	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-40.2	172.8	-72.3	167.7	152.5	0	0	111.5	K243 N244 M249 D250 D256 W257	K243-E253 HydrophobicContact CB-CG 4.36Å; K243-E253 HydrophobicContact CG-CG 4.44Å; K243-E253 PolarHBondContact N-OE1 2.74Å; N244-E253 PolarHBondContact N-OE1 3.25Å; N244-E253 PolarHBondContact ND2-OE1 3.31Å; N244-E253 PolarHBondContact ND2-OE2 2.78Å; M249-E253 WeakPolarHBondContact CA-OE2 3.41Å; M249-E253 HydrophobicContact CB-CB 4.13Å; M249-E253 HydrophobicContact CE-CB 4.4Å; M249-E253 WeakPolarHBondContact CE-O 3.49Å; M249-E253 HydrophobicContact CG-CB 4.39Å; D250-E253 PolarHBondContact N-OE2 3.19Å; D250-E253 PolarHBondContact O-N 3.17Å; D250-E253 PolarHBondContact OD1-N 3.01Å; E253-D256 PolarHBondContact O-N 3.38Å; E253-W257 WeakPolarHBondContact O-CB 3Å; E253-W257 PolarHBondContact O-N 2.86Å
254	T	87.7	Confident	83.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-44.6	173.1	-54.6	0	0	0	0	110.8	V193 M197 I208 D250 E252 D256 W257 I258	V193-T254 HydrophobicContact CG1-CG2 4.09Å; M197-T254 HydrophobicContact CG-CG2 3.87Å; I208-T254 HydrophobicContact CD1-CG2 3.98Å; D250-T254 VanDerWaalsContact O-CB 3.31Å; D250-T254 WeakPolarHBondContact O-CB 3.46Å; D250-T254 PolarHBondContact O-N 3.14Å; D250-T254 PolarHBondContact O-OG1 3.27Å; E252-T254 VanDerWaalsContact C-N 3.32Å; E252-T254 PolarHBondContact O-N 3.21Å; T254-D256 PolarHBondContact O-N 2.94Å; T254-W257 HydrophobicContact CG2-CE3 4.23Å; T254-W257 WeakPolarHBondContact O-CB 3.47Å; T254-W257 PolarHBondContact O-N 2.94Å; T254-W257 VanDerWaalsContact O-N 3.16Å; T254-I258 HydrophobicContact CG2-CG2 4.26Å; T254-I258 VanDerWaalsContact O-CG1 3.31Å; T254-I258 WeakPolarHBondContact O-CG1 3.09Å; T254-I258 WeakPolarHBondContact O-CG2 3.48Å; T254-I258 PolarHBondContact O-N 3.17Å
255	K	86.3	Confident	82.8	Confident	48 Å²	48	58.1 Å²	58.1	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-46.1	176.9	-175.7	174	-176.4	167	0	112.5	D190 V193 K251 E252 W257 I258 L259	D190-K255 IonicContact OD1-NZ 3.84Å; D190-K255 PolarHBondContact OD1-NZ 3.34Å; V193-K255 HydrophobicContact CG1-CB 4.31Å; V193-K255 HydrophobicContact CG2-CB 3.62Å; V193-K255 HydrophobicContact CG2-CD 4.26Å; V193-K255 HydrophobicContact CG2-CG 3.73Å; K251-K255 VanDerWaalsContact O-CB 3.29Å; K251-K255 WeakPolarHBondContact O-CB 3.29Å; K251-K255 PolarHBondContact O-N 3.4Å; E252-K255 WeakPolarHBondContact O-CB 3.31Å; E252-K255 PolarHBondContact O-N 3.42Å; K255-W257 PolarHBondContact O-N 3.23Å; K255-I258 PolarHBondContact O-N 3.32Å; K255-L259 CarbonylContact O-C 3.24Å; K255-L259 WeakPolarHBondContact O-CA 3.47Å; K255-L259 PolarHBondContact O-N 3.03Å
256	D	83.3	Confident	82	Confident	59 Å²	59	49.6 Å²	49.6	32%	0.316	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-28.8	177.5	-78.6	-10.5	0	0	0	112.5	K243 E252 E253 T254 P260	K243-D256 IonicContact NZ-OD2 3.72Å; K243-D256 PolarHBondContact NZ-OD2 3.47Å; E252-D256 PolarHBondContact O-N 2.53Å; E253-D256 PolarHBondContact O-N 3.38Å; T254-D256 PolarHBondContact O-N 2.94Å; D256-P260 WeakPolarHBondContact O-CA 3.28Å
257	W	80.7	Confident	81.5	Confident	16 Å²	16	48.1 Å²	48.1	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-50.5	172.9	167.1	34	0	0	0	112.1	V28 I200 I208 Y213 M217 R241 M249 E253 T254 K255	V28-W257 HydrophobicContact CG1-CH2 4.38Å; V28-W257 HydrophobicContact CG1-CZ2 4.05Å; I200-W257 HydrophobicContact CD1-CH2 3.71Å; I200-W257 HydrophobicContact CD1-CZ3 3.69Å; I208-W257 HydrophobicContact CD1-CZ3 4.42Å; Y213-W257 HydrophobicContact CD2-CH2 4.05Å; Y213-W257 HydrophobicContact CD2-CZ2 4.31Å; Y213-W257 HydrophobicContact CD2-CZ3 4.32Å; Y213-W257 HydrophobicContact CE2-CD2 4.44Å; Y213-W257 AromaticContact CE2-CE2 3.98Å; Y213-W257 AromaticContact CE2-CH2 3.9Å; Y213-W257 HydrophobicContact CE2-CH2 3.9Å; Y213-W257 AromaticContact CE2-CZ2 3.68Å; Y213-W257 HydrophobicContact CE2-CZ2 3.68Å; Y213-W257 HydrophobicContact CE2-CZ3 4.38Å; M217-W257 HydrophobicContact CE-CZ2 4.19Å; R241-W257 VanDerWaalsContact NH1-CE2 3.35Å; M249-W257 HydrophobicContact CE-CB 3.66Å; M249-W257 HydrophobicContact CE-CD2 4.06Å; M249-W257 HydrophobicContact CE-CE3 3.68Å; M249-W257 HydrophobicContact CE-CG 4.09Å; M249-W257 HydrophobicContact SD-CE3 4.4Å; E253-W257 WeakPolarHBondContact O-CB 3Å; E253-W257 PolarHBondContact O-N 2.86Å; T254-W257 HydrophobicContact CG2-CE3 4.23Å; T254-W257 WeakPolarHBondContact O-CB 3.47Å; T254-W257 PolarHBondContact O-N 2.94Å; T254-W257 VanDerWaalsContact O-N 3.16Å; K255-W257 PolarHBondContact O-N 3.23Å
258	I	74.2	Confident	80.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-84.2	-28.6	-171.1	70.3	174.2	0	0	0	112.9	H29 V192 V193 T196 T254 K255	H29-I258 WeakPolarHBondContact O-CB 3.17Å; V192-I258 HydrophobicContact CG1-CD1 4.16Å; V193-I258 VanDerWaalsContact CA-CD1 3.49Å; V193-I258 HydrophobicContact CB-CD1 4.02Å; V193-I258 HydrophobicContact CG1-CD1 4.46Å; V193-I258 HydrophobicContact CG2-CD1 3.62Å; V193-I258 HydrophobicContact CG2-CG1 4.22Å; T196-I258 HydrophobicContact CG2-CG2 4.14Å; T254-I258 HydrophobicContact CG2-CG2 4.26Å; T254-I258 VanDerWaalsContact O-CG1 3.31Å; T254-I258 WeakPolarHBondContact O-CG1 3.09Å; T254-I258 WeakPolarHBondContact O-CG2 3.48Å; T254-I258 PolarHBondContact O-N 3.17Å; K255-I258 PolarHBondContact O-N 3.32Å
259	L	73.9	Confident	79.8	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.052	24%	0.236	C	C	.	.	S	Bend	trans	-133.4	68.8	-178.2	-69.2	162.5	0	0	0	109.6	E31 E183 K189 V192 V193 K255 S261	E31-L259 HydrophobicContact CG-CD2 4.13Å; E183-L259 HydrophobicContact CB-CD2 4.29Å; K189-L259 HydrophobicContact CB-CD1 3.68Å; K189-L259 HydrophobicContact CD-CD1 4.11Å; K189-L259 HydrophobicContact CG-CD1 3.7Å; V192-L259 HydrophobicContact CB-CD1 4.41Å; V193-L259 HydrophobicContact CG2-CD1 4.48Å; K255-L259 CarbonylContact O-C 3.24Å; K255-L259 WeakPolarHBondContact O-CA 3.47Å; K255-L259 PolarHBondContact O-N 3.03Å; L259-S261 PolarHBondContact O-N 3.29Å
260	P	70.4	Confident	79.5	Confident	26 Å²	26	45.6 Å²	45.6	17%	0.169	24%	0.236	C	C	.	.			trans	-63.5	122.9	-176.9	-8.1	21.4	0	0	0	109.8	D256 D262 Y263	D256-P260 WeakPolarHBondContact O-CA 3.28Å; P260-D262 PolarHBondContact O-N 2.74Å; P260-Y263 PolarHBondContact O-N 3.25Å
261	S	67.7	Low	79.1	Confident	115 Å²	115	50 Å²	50	80%	0.804	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.4	-174.7	61.5	0	0	0	0	115.1	L259	L259-S261 PolarHBondContact O-N 3.29Å
262	D	66.2	Low	78.5	Confident	144 Å²	144	48.2 Å²	48.2	77%	0.77	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	0.2	-169.4	56	-35.7	0	0	0	114	P260	P260-D262 PolarHBondContact O-N 2.74Å
263	Y	65.1	Low	78.1	Confident	113 Å²	113	43 Å²	43	44%	0.443	22%	0.218	S	C	.	.			trans	-100.8	109.3	179.6	-170	-99.9	0	0	0	111	P260 H265 A268	P260-Y263 PolarHBondContact O-N 3.25Å; Y263-H265 AromaticContact CD1-CE1 3.41Å; Y263-H265 VanDerWaalsContact CD1-CE1 3.41Å; Y263-H265 WeakPolarHBondContact CD1-CE1 3.22Å; Y263-H265 AromaticContact CD1-CG 3.88Å; Y263-H265 AromaticContact CD1-ND1 3.41Å; Y263-H265 WeakPolarHBondContact CD1-ND1 3.48Å; Y263-H265 AromaticContact CD1-NE2 3.86Å; Y263-H265 HydrophobicContact CE1-CB 4.42Å; Y263-H265 AromaticContact CE1-CD2 3.62Å; Y263-H265 AromaticContact CE1-CE1 3.62Å; Y263-H265 AromaticContact CE1-CG 3.67Å; Y263-H265 AromaticContact CE1-ND1 3.68Å; Y263-H265 AromaticContact CE1-NE2 3.57Å; Y263-H265 PolarHBondContact O-N 2.88Å; Y263-A268 HydrophobicContact CE1-CB 4.29Å; Y263-A268 HydrophobicContact CE2-CB 4.09Å; Y263-A268 WeakPolarHBondContact OH-CB 3.36Å
264	D	75.1	Confident	78	Confident	49 Å²	49	42.9 Å²	42.9	26%	0.262	22%	0.217	S	C	.	.			trans	-91	97.3	175.3	-172.6	-22.1	0	0	0	109	K98 A266 E267 A268	K98-D264 WeakPolarHBondContact CE-OD1 3.49Å; K98-D264 WeakPolarHBondContact CE-OD2 3.37Å; K98-D264 IonicContact NZ-OD1 3.89Å; K98-D264 PolarHBondContact NZ-OD1 2.63Å; K98-D264 IonicContact NZ-OD2 3.57Å; K98-D264 PolarHBondContact NZ-OD2 2.92Å; D264-A266 PolarHBondContact O-N 2.94Å; D264-A266 WeakPolarHBondContact OD1-CB 3.44Å; D264-A266 PolarHBondContact OD1-N 2.75Å; D264-E267 HydrophobicContact CB-CB 3.79Å; D264-E267 WeakPolarHBondContact O-CA 3.26Å; D264-E267 WeakPolarHBondContact O-CB 3.35Å; D264-E267 PolarHBondContact O-N 3.33Å; D264-E267 PolarHBondContact OD1-N 3.04Å; D264-A268 PolarHBondContact O-N 2.81Å
265	H	69.3	Low	77.9	Confident	31 Å²	31	51.3 Å²	51.3	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-53.3	-39.8	-179.8	-80	79.6	0	0	0	112.3	E31 Y263 E267 A268 E269	E31-H265 IonicContact OE2-CE1 3.61Å; E31-H265 IonicContact OE2-CG 3.4Å; E31-H265 IonicContact OE2-ND1 3.36Å; E31-H265 PolarHBondContact OE2-ND1 3.12Å; Y263-H265 AromaticContact CD1-CE1 3.41Å; Y263-H265 VanDerWaalsContact CD1-CE1 3.41Å; Y263-H265 WeakPolarHBondContact CD1-CE1 3.22Å; Y263-H265 AromaticContact CD1-CG 3.88Å; Y263-H265 AromaticContact CD1-ND1 3.41Å; Y263-H265 WeakPolarHBondContact CD1-ND1 3.48Å; Y263-H265 AromaticContact CD1-NE2 3.86Å; Y263-H265 HydrophobicContact CE1-CB 4.42Å; Y263-H265 AromaticContact CE1-CD2 3.62Å; Y263-H265 AromaticContact CE1-CE1 3.62Å; Y263-H265 AromaticContact CE1-CG 3.67Å; Y263-H265 AromaticContact CE1-ND1 3.68Å; Y263-H265 AromaticContact CE1-NE2 3.57Å; Y263-H265 PolarHBondContact O-N 2.88Å; H265-E267 VanDerWaalsContact C-N 3.31Å; H265-E267 PolarHBondContact O-N 3.01Å; H265-A268 PolarHBondContact O-N 2.82Å; H265-E269 VanDerWaalsContact O-CB 3.31Å; H265-E269 WeakPolarHBondContact O-CB 3.4Å; H265-E269 PolarHBondContact O-N 3.15Å
266	A	76.7	Confident	77.8	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-32.9	178.9	0	0	0	0	0	112	K94 I97 K98 D264 A270	K94-A266 HydrophobicContact CG-CB 4Å; I97-A266 HydrophobicContact CB-CB 4.05Å; I97-A266 HydrophobicContact CG2-CB 3.72Å; K98-A266 HydrophobicContact CD-CB 4.29Å; K98-A266 HydrophobicContact CG-CB 3.54Å; D264-A266 PolarHBondContact O-N 2.94Å; D264-A266 WeakPolarHBondContact OD1-CB 3.44Å; D264-A266 PolarHBondContact OD1-N 2.75Å; A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.14Å
267	E	83.3	Confident	78	Confident	57 Å²	57	49.7 Å²	49.7	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-70.4	-44	173	-171.3	176.2	162.9	0	0	111.7	K94 D264 H265 E269 A270 R271	K94-E267 HydrophobicContact CD-CB 3.72Å; K94-E267 HydrophobicContact CD-CG 4.15Å; K94-E267 HydrophobicContact CG-CB 4.33Å; D264-E267 HydrophobicContact CB-CB 3.79Å; D264-E267 WeakPolarHBondContact O-CA 3.26Å; D264-E267 WeakPolarHBondContact O-CB 3.35Å; D264-E267 PolarHBondContact O-N 3.33Å; D264-E267 PolarHBondContact OD1-N 3.04Å; H265-E267 VanDerWaalsContact C-N 3.31Å; H265-E267 PolarHBondContact O-N 3.01Å; E267-E269 VanDerWaalsContact C-N 3.35Å; E267-A270 PolarHBondContact O-N 3.04Å; E267-R271 HydrophobicContact CG-CG 4.46Å; E267-R271 WeakPolarHBondContact O-CB 3.47Å; E267-R271 VanDerWaalsContact O-CG 3.25Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.01Å; E267-R271 IonicContact OE1-CZ 3.25Å; E267-R271 VanDerWaalsContact OE1-CZ 3.25Å; E267-R271 IonicContact OE1-NE 2.91Å; E267-R271 PolarHBondContact OE1-NE 2.78Å; E267-R271 IonicContact OE1-NH2 2.72Å; E267-R271 PolarHBondContact OE1-NH2 3.38Å
268	A	76.8	Confident	78.5	Confident	27 Å²	27	49.8 Å²	49.8	22%	0.223	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-47.3	178	0	0	0	0	0	111	Y263 D264 H265 R271 H272	Y263-A268 HydrophobicContact CE1-CB 4.29Å; Y263-A268 HydrophobicContact CE2-CB 4.09Å; Y263-A268 WeakPolarHBondContact OH-CB 3.36Å; D264-A268 PolarHBondContact O-N 2.81Å; H265-A268 PolarHBondContact O-N 2.82Å; A268-R271 PolarHBondContact O-N 2.84Å; A268-H272 WeakPolarHBondContact O-CB 3.4Å; A268-H272 PolarHBondContact O-N 2.78Å
269	E	76.4	Confident	79.3	Confident	12 Å²	12	55.8 Å²	55.8	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-43.6	178.3	-168.3	54.1	-121.7	0	0	111.8	L34 H39 D48 A51 I97 H265 E267 R271 H272 L273	L34-E269 HydrophobicContact CD1-CB 4.07Å; L34-E269 HydrophobicContact CD1-CG 4.1Å; H39-E269 IonicContact NE2-OE2 3.02Å; D48-E269 VanDerWaalsContact OD1-OE1 3.06Å; A51-E269 HydrophobicContact CB-CG 4.06Å; I97-E269 HydrophobicContact CD1-CB 3.98Å; I97-E269 HydrophobicContact CD1-CG 3.97Å; H265-E269 VanDerWaalsContact O-CB 3.31Å; H265-E269 WeakPolarHBondContact O-CB 3.4Å; H265-E269 PolarHBondContact O-N 3.15Å; E267-E269 VanDerWaalsContact C-N 3.35Å; E269-R271 VanDerWaalsContact C-N 3.29Å; E269-R271 PolarHBondContact O-N 3.4Å; E269-H272 WeakPolarHBondContact O-CB 3.49Å; E269-H272 PolarHBondContact O-N 3.28Å; E269-H272 VanDerWaalsContact O-N 3.11Å; E269-H272 IonicContact OE1-ND1 3.79Å; E269-H272 PolarHBondContact OE1-ND1 2.9Å; E269-L273 HydrophobicContact CG-CD1 4.34Å; E269-L273 WeakPolarHBondContact O-CG 3.31Å; E269-L273 PolarHBondContact O-N 3.36Å
270	A	85.4	Confident	80.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-40.7	174.9	0	0	0	0	0	112.1	V90 L93 K94 I97 A266 E267 V274	V90-A270 HydrophobicContact CG1-CB 4.09Å; V90-A270 WeakPolarHBondContact O-CB 3.43Å; L93-A270 HydrophobicContact CB-CB 3.98Å; L93-A270 HydrophobicContact CD2-CB 4.18Å; L93-A270 HydrophobicContact CG-CB 3.96Å; K94-A270 HydrophobicContact CB-CB 3.96Å; I97-A270 HydrophobicContact CD1-CB 4.11Å; A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.14Å; E267-A270 PolarHBondContact O-N 3.04Å; A270-V274 WeakPolarHBondContact O-CB 3.35Å; A270-V274 VanDerWaalsContact O-CG2 3.28Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.43Å
271	R	85.9	Confident	81.2	Confident	145 Å²	145	66.3 Å²	66.3	55%	0.547	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-39.5	175.7	-74.6	172.9	179	-85.8	-0.1	111.6	V90 E267 A268 E269 Y275	V90-R271 HydrophobicContact CG1-CG 3.77Å; E267-R271 HydrophobicContact CG-CG 4.46Å; E267-R271 WeakPolarHBondContact O-CB 3.47Å; E267-R271 VanDerWaalsContact O-CG 3.25Å; E267-R271 WeakPolarHBondContact O-CG 3.41Å; E267-R271 PolarHBondContact O-N 3.01Å; E267-R271 IonicContact OE1-CZ 3.25Å; E267-R271 VanDerWaalsContact OE1-CZ 3.25Å; E267-R271 IonicContact OE1-NE 2.91Å; E267-R271 PolarHBondContact OE1-NE 2.78Å; E267-R271 IonicContact OE1-NH2 2.72Å; E267-R271 PolarHBondContact OE1-NH2 3.38Å; A268-R271 PolarHBondContact O-N 2.84Å; E269-R271 VanDerWaalsContact C-N 3.29Å; E269-R271 PolarHBondContact O-N 3.4Å; R271-Y275 VanDerWaalsContact O-CB 3.24Å; R271-Y275 WeakPolarHBondContact O-CB 3.3Å; R271-Y275 PolarHBondContact O-N 3.18Å
272	H	80.7	Confident	82.5	Confident	37 Å²	37	64.4 Å²	64.4	17%	0.171	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-53.5	176.4	177.8	-120.1	0	0	0	111.2	D41 D48 A268 E269 V274 Y275 E276	D41-H272 IonicContact OD1-CE1 3.33Å; D41-H272 IonicContact OD2-CE1 3.3Å; D41-H272 PolarHBondContact OD2-CE1 3.44Å; D41-H272 IonicContact OD2-NE2 2.78Å; D41-H272 PolarHBondContact OD2-NE2 3.5Å; D48-H272 IonicContact OD1-ND1 3.35Å; D48-H272 IonicContact OD2-CE1 3.25Å; D48-H272 PolarHBondContact OD2-CE1 2.93Å; D48-H272 VanDerWaalsContact OD2-CE1 3.3Å; D48-H272 IonicContact OD2-ND1 3.13Å; A268-H272 WeakPolarHBondContact O-CB 3.4Å; A268-H272 PolarHBondContact O-N 2.78Å; E269-H272 WeakPolarHBondContact O-CB 3.49Å; E269-H272 PolarHBondContact O-N 3.28Å; E269-H272 VanDerWaalsContact O-N 3.11Å; E269-H272 IonicContact OE1-ND1 3.79Å; E269-H272 PolarHBondContact OE1-ND1 2.9Å; H272-V274 VanDerWaalsContact C-N 3.31Å; H272-V274 PolarHBondContact O-N 2.82Å; H272-Y275 WeakPolarHBondContact O-CB 3.35Å; H272-Y275 PolarHBondContact O-N 2.94Å; H272-E276 PolarHBondContact O-N 3.11Å
273	L	84.4	Confident	83.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.8	-41.8	177.6	-72.1	173.7	0	0	0	112.8	D48 F52 L93 I97 E269 S277 L296 F297	D48-L273 HydrophobicContact CB-CD2 4.22Å; F52-L273 HydrophobicContact CD2-CD1 4.13Å; L93-L273 HydrophobicContact CD1-CD1 4.33Å; L93-L273 HydrophobicContact CD2-CB 3.66Å; L93-L273 HydrophobicContact CD2-CD1 3.9Å; L93-L273 HydrophobicContact CD2-CG 4.45Å; L93-L273 HydrophobicContact CG-CD1 4.29Å; I97-L273 HydrophobicContact CD1-CD1 4.16Å; E269-L273 HydrophobicContact CG-CD1 4.34Å; E269-L273 WeakPolarHBondContact O-CG 3.31Å; E269-L273 PolarHBondContact O-N 3.36Å; L273-S277 WeakPolarHBondContact O-CB 3.25Å; L273-S277 PolarHBondContact O-N 2.88Å; L273-S277 VanDerWaalsContact O-N 3.16Å; L273-S277 PolarHBondContact O-OG 2.94Å; L273-L296 HydrophobicContact CD2-CD1 4.45Å; L273-L296 HydrophobicContact CD2-CD2 3.89Å; L273-L296 HydrophobicContact CD2-CG 3.82Å; L273-F297 HydrophobicContact CB-CE1 4.01Å; L273-F297 HydrophobicContact CB-CZ 4.2Å; L273-F297 HydrophobicContact CD1-CD1 4.39Å; L273-F297 HydrophobicContact CD1-CE1 4.02Å; L273-F297 HydrophobicContact CD2-CD1 4.04Å; L273-F297 HydrophobicContact CD2-CE1 3.83Å; L273-F297 HydrophobicContact CD2-CZ 4.24Å; L273-F297 HydrophobicContact CG-CE1 4.18Å
274	V	88.5	Confident	85	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.048	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-45.6	174.9	171.3	0	0	0	0	111	V90 L93 A270 H272 E276 S277 D278 L285	V90-V274 HydrophobicContact CG2-CB 4.13Å; V90-V274 HydrophobicContact CG2-CG1 4.16Å; V90-V274 HydrophobicContact CG2-CG2 3.8Å; L93-V274 HydrophobicContact CD2-CG2 4.03Å; A270-V274 WeakPolarHBondContact O-CB 3.35Å; A270-V274 VanDerWaalsContact O-CG2 3.28Å; A270-V274 WeakPolarHBondContact O-CG2 3.32Å; A270-V274 PolarHBondContact O-N 3.43Å; H272-V274 VanDerWaalsContact C-N 3.31Å; H272-V274 PolarHBondContact O-N 2.82Å; V274-E276 VanDerWaalsContact C-N 3.33Å; V274-E276 PolarHBondContact O-N 3.17Å; V274-S277 PolarHBondContact O-N 3.27Å; V274-D278 HydrophobicContact CG1-CB 4.29Å; V274-D278 WeakPolarHBondContact O-CB 3.43Å; V274-D278 PolarHBondContact O-N 3.36Å; V274-L285 HydrophobicContact CG2-CD1 3.98Å; V274-L285 HydrophobicContact CG2-CG 4.07Å
275	Y	86.3	Confident	85.9	Confident	178 Å²	178	54.4 Å²	54.4	70%	0.698	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-42	-179.9	175.9	-96.7	0	0	0	112.6	R271 H272	R271-Y275 VanDerWaalsContact O-CB 3.24Å; R271-Y275 WeakPolarHBondContact O-CB 3.3Å; R271-Y275 PolarHBondContact O-N 3.18Å; H272-Y275 WeakPolarHBondContact O-CB 3.35Å; H272-Y275 PolarHBondContact O-N 2.94Å
276	E	83.2	Confident	87.1	Confident	72 Å²	72	54.4 Å²	54.4	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-77.5	-20.1	-179.3	-74.3	-58.1	137.6	0	0	113.7	H272 V274 K293 L296	H272-E276 PolarHBondContact O-N 3.11Å; V274-E276 VanDerWaalsContact C-N 3.33Å; V274-E276 PolarHBondContact O-N 3.17Å; E276-K293 WeakPolarHBondContact O-CE 3.23Å; E276-K293 PolarHBondContact O-NZ 2.89Å; E276-L296 HydrophobicContact CB-CD1 4.47Å; E276-L296 HydrophobicContact CB-CD2 3.58Å
277	S	88.1	Confident	87.8	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-109.2	-26.1	-172.8	-55.4	0	0	0	0	115.5	L273 V274 Q279 L296 F297	L273-S277 WeakPolarHBondContact O-CB 3.25Å; L273-S277 PolarHBondContact O-N 2.88Å; L273-S277 VanDerWaalsContact O-N 3.16Å; L273-S277 PolarHBondContact O-OG 2.94Å; V274-S277 PolarHBondContact O-N 3.27Å; S277-Q279 PolarHBondContact O-N 2.94Å; S277-L296 WeakPolarHBondContact OG-CD2 3.23Å; S277-F297 WeakPolarHBondContact OG-CE2 3.24Å; S277-F297 WeakPolarHBondContact OG-CZ 3.32Å
278	D	91.3	Very high	88.2	Confident	18 Å²	18	61.7 Å²	61.7	10%	0.096	30%	0.295	C	S	.	.			trans	-73.7	93.1	-176.8	-178.8	4.1	0	0	0	110.8	V274 N280 K281 D282 G283 L285	V274-D278 HydrophobicContact CG1-CB 4.29Å; V274-D278 WeakPolarHBondContact O-CB 3.43Å; V274-D278 PolarHBondContact O-N 3.36Å; D278-N280 VanDerWaalsContact C-N 3.31Å; D278-N280 PolarHBondContact O-N 3.25Å; D278-N280 PolarHBondContact OD1-N 3.18Å; D278-K281 VanDerWaalsContact CG-CA 3.47Å; D278-K281 WeakPolarHBondContact OD1-CA 3.32Å; D278-K281 PolarHBondContact OD1-N 3.17Å; D278-K281 VanDerWaalsContact OD2-C 3.28Å; D278-K281 WeakPolarHBondContact OD2-CA 3.34Å; D278-D282 PolarHBondContact OD1-N 3.08Å; D278-D282 PolarHBondContact OD2-N 2.72Å; D278-D282 VanDerWaalsContact OD2-N 3.12Å; D278-G283 WeakPolarHBondContact OD2-CA 3.2Å; D278-G283 PolarHBondContact OD2-N 2.81Å; D278-L285 HydrophobicContact CB-CD2 3.75Å
279	Q	90.8	Very high	89	Confident	125 Å²	125	61 Å²	61	58%	0.584	29%	0.288	S	S	*	.	S	Bend	trans	-70	-34	-177.3	-65.2	-173.6	22.9	0	0	111.6	S277 E289	S277-Q279 PolarHBondContact O-N 2.94Å; Q279-E289 HydrophobicContact CB-CG 4.5Å; Q279-E289 HydrophobicContact CG-CG 4.34Å; Q279-E289 PolarHBondContact N-OE1 2.93Å
280	N	93.1	Very high	89.5	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-93.1	-12.7	-171.9	82.2	66.9	0	0	0	112.9	D278 D282 E289	D278-N280 VanDerWaalsContact C-N 3.31Å; D278-N280 PolarHBondContact O-N 3.25Å; D278-N280 PolarHBondContact OD1-N 3.18Å; N280-D282 WeakPolarHBondContact OD1-CB 3.33Å; N280-D282 PolarHBondContact OD1-N 3.12Å; N280-D282 PolarHBondContact OD1-OD1 3.22Å; N280-E289 PolarHBondContact ND2-OE1 2.83Å
281	K	91.9	Very high	89.6	Confident	174 Å²	174	61.6 Å²	61.6	76%	0.757	29%	0.292	S	S	*	.			trans	64.6	34.4	177.6	-55.5	-167.9	176.6	-163.2	0	113.9	D278 G283	D278-K281 VanDerWaalsContact CG-CA 3.47Å; D278-K281 WeakPolarHBondContact OD1-CA 3.32Å; D278-K281 PolarHBondContact OD1-N 3.17Å; D278-K281 VanDerWaalsContact OD2-C 3.28Å; D278-K281 WeakPolarHBondContact OD2-CA 3.34Å; K281-G283 VanDerWaalsContact C-N 3.34Å
282	D	93.6	Very high	89.7	Confident	75 Å²	75	59.3 Å²	59.3	40%	0.401	29%	0.29	S	S	.	.	S	Bend	trans	-88.5	-1.2	174.4	73	-7.3	0	0	0	113.8	D278 N280 K284	D278-D282 PolarHBondContact OD1-N 3.08Å; D278-D282 PolarHBondContact OD2-N 2.72Å; D278-D282 VanDerWaalsContact OD2-N 3.12Å; N280-D282 WeakPolarHBondContact OD1-CB 3.33Å; N280-D282 PolarHBondContact OD1-N 3.12Å; N280-D282 PolarHBondContact OD1-OD1 3.22Å; D282-K284 WeakPolarHBondContact OD1-CG 3.31Å; D282-K284 PolarHBondContact OD1-N 3.24Å; D282-K284 WeakPolarHBondContact OD2-CE 3.41Å; D282-K284 WeakPolarHBondContact OD2-CG 3.05Å
283	G	90.9	Very high	89.8	Confident	43 Å²	43	60.9 Å²	60.9	44%	0.443	30%	0.297	S	S	.	.	S	Bend	trans	84.1	12.7	175.2	0	0	0	0	0	114	D278 K281	D278-G283 WeakPolarHBondContact OD2-CA 3.2Å; D278-G283 PolarHBondContact OD2-N 2.81Å; K281-G283 VanDerWaalsContact C-N 3.34Å
284	K	93.9	Very high	89.5	Confident	54 Å²	54	63.5 Å²	63.5	24%	0.235	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.9	178.9	55.9	-178.2	-174	158.1	0	109.9	F87 D282	F87-K284 HydrophobicContact CB-CB 4.32Å; F87-K284 HydrophobicContact CB-CD 3.8Å; F87-K284 HydrophobicContact CB-CG 4.32Å; F87-K284 HydrophobicContact CD1-CD 3.64Å; F87-K284 VanDerWaalsContact CD1-CE 3.46Å; F87-K284 HydrophobicContact CD1-CG 3.96Å; F87-K284 HydrophobicContact CD2-CD 4.38Å; F87-K284 VanDerWaalsContact CD2-NZ 3.28Å; F87-K284 HydrophobicContact CE1-CD 4.3Å; F87-K284 VanDerWaalsContact CE2-NZ 3.29Å; F87-K284 HydrophobicContact CG-CD 3.68Å; F87-K284 HydrophobicContact CG-CG 4.36Å; D282-K284 WeakPolarHBondContact OD1-CG 3.31Å; D282-K284 PolarHBondContact OD1-N 3.24Å; D282-K284 WeakPolarHBondContact OD2-CE 3.41Å; D282-K284 WeakPolarHBondContact OD2-CG 3.05Å
285	L	93.4	Very high	88.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.2	-175.9	-60.2	178.6	0	0	0	111.3	F87 V88 V274 D278 E289 I290 F297	F87-L285 CarbonylContact C-O 3.51Å; F87-L285 WeakPolarHBondContact CA-O 3.34Å; V88-L285 HydrophobicContact CB-CB 4.35Å; V88-L285 PolarHBondContact N-O 3.2Å; V88-L285 PolarHBondContact O-N 3.14Å; V274-L285 HydrophobicContact CG2-CD1 3.98Å; V274-L285 HydrophobicContact CG2-CG 4.07Å; D278-L285 HydrophobicContact CB-CD2 3.75Å; L285-E289 HydrophobicContact CD2-CB 4.44Å; L285-I290 HydrophobicContact CB-CD1 3.86Å; L285-I290 HydrophobicContact CB-CG1 3.78Å; L285-I290 HydrophobicContact CD1-CD1 4.18Å; L285-I290 HydrophobicContact CD1-CG1 3.8Å; L285-I290 HydrophobicContact CG-CG1 4.41Å; L285-F297 HydrophobicContact CD1-CZ 3.87Å
286	T	94.2	Very high	88.2	Confident	31 Å²	31	57.6 Å²	57.6	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	159.4	164	57.9	0	0	0	0	110.7	F87 E288 E289 I290	F87-T286 HydrophobicContact CD1-CG2 3.82Å; F87-T286 HydrophobicContact CE1-CG2 3.65Å; T286-E288 PolarHBondContact O-N 2.87Å; T286-E289 WeakPolarHBondContact CB-OE2 3.3Å; T286-E289 PolarHBondContact N-OE2 3.29Å; T286-E289 PolarHBondContact O-N 2.96Å; T286-E289 VanDerWaalsContact O-N 3.17Å; T286-E289 VanDerWaalsContact OG1-CD 3.29Å; T286-E289 VanDerWaalsContact OG1-CG 3.3Å; T286-E289 WeakPolarHBondContact OG1-CG 3.13Å; T286-E289 PolarHBondContact OG1-N 3.02Å; T286-E289 PolarHBondContact OG1-OE2 3.45Å; T286-I290 PolarHBondContact O-N 3.26Å; T286-I290 VanDerWaalsContact O-N 3.16Å
287	K	91.5	Very high	87.6	Confident	86 Å²	86	54.2 Å²	54.2	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-55.8	-40.1	171.9	177.9	172	173.8	156.1	0	111.6	G74 V77 I290 V291	G74-K287 VanDerWaalsContact CA-CE 3.49Å; G74-K287 PolarHBondContact O-NZ 2.86Å; V77-K287 HydrophobicContact CG1-CB 4.06Å; V77-K287 HydrophobicContact CG1-CG 4.28Å; K287-I290 PolarHBondContact O-N 3.14Å; K287-V291 HydrophobicContact CG-CG2 4.17Å; K287-V291 VanDerWaalsContact O-CB 3.3Å; K287-V291 WeakPolarHBondContact O-CB 3.46Å; K287-V291 WeakPolarHBondContact O-CG2 3.22Å; K287-V291 PolarHBondContact O-N 3.34Å
288	E	92.2	Very high	86.5	Confident	126 Å²	126	54.3 Å²	54.3	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-43.6	177.8	-70	71.2	-157.9	0	0	111.7	T286 I290 V291 D292	T286-E288 PolarHBondContact O-N 2.87Å; E288-I290 PolarHBondContact O-N 3.1Å; E288-V291 PolarHBondContact O-N 3.29Å; E288-D292 VanDerWaalsContact O-CB 3.26Å; E288-D292 WeakPolarHBondContact O-CB 3.44Å; E288-D292 PolarHBondContact O-N 3.03Å
289	E	92.4	Very high	84.2	Confident	13 Å²	13	53.9 Å²	53.9	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-45.1	177.3	-78.2	160.6	148	0	0	112.2	Q279 N280 L285 T286 D292 K293	Q279-E289 HydrophobicContact CB-CG 4.5Å; Q279-E289 HydrophobicContact CG-CG 4.34Å; Q279-E289 PolarHBondContact N-OE1 2.93Å; N280-E289 PolarHBondContact ND2-OE1 2.83Å; L285-E289 HydrophobicContact CD2-CB 4.44Å; T286-E289 WeakPolarHBondContact CB-OE2 3.3Å; T286-E289 PolarHBondContact N-OE2 3.29Å; T286-E289 PolarHBondContact O-N 2.96Å; T286-E289 VanDerWaalsContact O-N 3.17Å; T286-E289 VanDerWaalsContact OG1-CD 3.29Å; T286-E289 VanDerWaalsContact OG1-CG 3.3Å; T286-E289 WeakPolarHBondContact OG1-CG 3.13Å; T286-E289 PolarHBondContact OG1-N 3.02Å; T286-E289 PolarHBondContact OG1-OE2 3.45Å; E289-D292 PolarHBondContact O-N 3.15Å; E289-K293 WeakPolarHBondContact O-CB 3.34Å; E289-K293 PolarHBondContact O-N 3.48Å
290	I	87.7	Confident	81.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-44.4	177.7	-64.8	170.5	0	0	0	111	L73 V77 V88 L285 T286 K287 E288 K293 Y294 F297	L73-I290 HydrophobicContact CD1-CG2 4.38Å; L73-I290 HydrophobicContact CD2-CG2 3.53Å; L73-I290 VanDerWaalsContact CD2-O 3.24Å; L73-I290 WeakPolarHBondContact CD2-O 3.3Å; L73-I290 HydrophobicContact CG-CG2 3.84Å; V77-I290 HydrophobicContact CG1-CD1 4.13Å; V77-I290 HydrophobicContact CG2-CB 3.95Å; V77-I290 HydrophobicContact CG2-CD1 3.65Å; V77-I290 HydrophobicContact CG2-CG1 4.39Å; V77-I290 HydrophobicContact CG2-CG2 3.57Å; V88-I290 HydrophobicContact CB-CD1 4.05Å; V88-I290 HydrophobicContact CG1-CD1 4.44Å; V88-I290 HydrophobicContact CG2-CD1 3.94Å; L285-I290 HydrophobicContact CB-CD1 3.86Å; L285-I290 HydrophobicContact CB-CG1 3.78Å; L285-I290 HydrophobicContact CD1-CD1 4.18Å; L285-I290 HydrophobicContact CD1-CG1 3.8Å; L285-I290 HydrophobicContact CG-CG1 4.41Å; T286-I290 PolarHBondContact O-N 3.26Å; T286-I290 VanDerWaalsContact O-N 3.16Å; K287-I290 PolarHBondContact O-N 3.14Å; E288-I290 PolarHBondContact O-N 3.1Å; I290-K293 CarbonylContact O-C 3.39Å; I290-K293 VanDerWaalsContact O-C 3.25Å; I290-K293 PolarHBondContact O-N 3.01Å; I290-Y294 PolarHBondContact O-N 3.43Å; I290-F297 HydrophobicContact CB-CE2 4.24Å; I290-F297 HydrophobicContact CB-CZ 4.49Å; I290-F297 HydrophobicContact CG1-CE2 4.24Å; I290-F297 HydrophobicContact CG1-CZ 4.05Å; I290-F297 HydrophobicContact CG2-CD1 4.28Å; I290-F297 HydrophobicContact CG2-CD2 3.88Å; I290-F297 HydrophobicContact CG2-CE1 4.34Å; I290-F297 HydrophobicContact CG2-CE2 3.96Å; I290-F297 HydrophobicContact CG2-CG 4.06Å; I290-F297 HydrophobicContact CG2-CZ 4.21Å
291	V	87.5	Confident	78.6	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-72.4	-31.6	-179	172.6	0	0	0	0	112.7	K70 L73 K287 E288 K293 Y294	K70-V291 HydrophobicContact CB-CG1 3.69Å; K70-V291 HydrophobicContact CD-CG1 3.84Å; K70-V291 VanDerWaalsContact CE-O 3.27Å; K70-V291 WeakPolarHBondContact CE-O 3.48Å; K70-V291 HydrophobicContact CG-CG1 3.66Å; L73-V291 HydrophobicContact CD2-CG2 4.4Å; K287-V291 HydrophobicContact CG-CG2 4.17Å; K287-V291 VanDerWaalsContact O-CB 3.3Å; K287-V291 WeakPolarHBondContact O-CB 3.46Å; K287-V291 WeakPolarHBondContact O-CG2 3.22Å; K287-V291 PolarHBondContact O-N 3.34Å; E288-V291 PolarHBondContact O-N 3.29Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-Y294 WeakPolarHBondContact O-CB 3.39Å; V291-Y294 PolarHBondContact O-N 3.07Å
292	D	87.3	Confident	75.6	Confident	96 Å²	96	46.6 Å²	46.6	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-70.7	-35.7	173.4	-85.9	-3	0	0	0	111.1	E288 E289 Y294	E288-D292 VanDerWaalsContact O-CB 3.26Å; E288-D292 WeakPolarHBondContact O-CB 3.44Å; E288-D292 PolarHBondContact O-N 3.03Å; E289-D292 PolarHBondContact O-N 3.15Å; D292-Y294 PolarHBondContact O-N 3.14Å
293	K	83.8	Confident	72.8	Confident	70 Å²	70	45.8 Å²	45.8	30%	0.304	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	30.6	173.1	-68.6	-76.4	-168.5	138.3	0	112.7	E276 E289 I290 V291 D295 L296 F297	E276-K293 WeakPolarHBondContact O-CE 3.23Å; E276-K293 PolarHBondContact O-NZ 2.89Å; E289-K293 WeakPolarHBondContact O-CB 3.34Å; E289-K293 PolarHBondContact O-N 3.48Å; I290-K293 CarbonylContact O-C 3.39Å; I290-K293 VanDerWaalsContact O-C 3.25Å; I290-K293 PolarHBondContact O-N 3.01Å; V291-K293 VanDerWaalsContact C-N 3.33Å; K293-D295 PolarHBondContact O-N 3.44Å; K293-L296 HydrophobicContact CB-CB 4.48Å; K293-L296 WeakPolarHBondContact O-CB 3.48Å; K293-L296 PolarHBondContact O-N 3.4Å; K293-F297 HydrophobicContact CB-CD2 4.34Å; K293-F297 HydrophobicContact CB-CE2 4.16Å; K293-F297 WeakPolarHBondContact O-CD2 3.23Å
294	Y	78.3	Confident	69.8	Low	56 Å²	56	50 Å²	50	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-52.1	-36.3	-178.2	84.1	-81.1	0	0	0	111.7	P66 K70 I290 V291 D292 L296 F297 V298 G299	P66-Y294 HydrophobicContact CB-CE1 4.5Å; P66-Y294 HydrophobicContact CB-CE2 4.14Å; K70-Y294 HydrophobicContact CD-CD1 4.31Å; K70-Y294 HydrophobicContact CG-CD1 4.19Å; K70-Y294 HydrophobicContact CG-CG 4.03Å; I290-Y294 PolarHBondContact O-N 3.43Å; V291-Y294 WeakPolarHBondContact O-CB 3.39Å; V291-Y294 PolarHBondContact O-N 3.07Å; D292-Y294 PolarHBondContact O-N 3.14Å; Y294-L296 PolarHBondContact O-N 3.03Å; Y294-L296 VanDerWaalsContact O-N 3.14Å; Y294-F297 PolarHBondContact O-N 3.46Å; Y294-V298 HydrophobicContact CD2-CG2 3.89Å; Y294-V298 HydrophobicContact CG-CG2 4.23Å; Y294-V298 WeakPolarHBondContact O-CA 3.12Å; Y294-V298 WeakPolarHBondContact O-CG2 3.19Å; Y294-V298 PolarHBondContact O-N 2.96Å; Y294-G299 PolarHBondContact O-N 3.37Å
295	D	73.4	Confident	66.6	Low	54 Å²	54	54.7 Å²	54.7	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-53.8	-35.4	177.2	-26.2	-28.3	0	0	0	113.4	K293 G299	K293-D295 PolarHBondContact O-N 3.44Å; D295-G299 CarbonylContact O-C 3.57Å; D295-G299 WeakPolarHBondContact O-CA 3.48Å; D295-G299 PolarHBondContact O-N 2.98Å; D295-G299 VanDerWaalsContact O-O 3.12Å
296	L	74.7	Confident	63.5	Low	8 Å²	8	56.8 Å²	56.8	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-75.7	-37	179.2	-178.7	70.2	0	0	0	112	F45 L273 E276 S277 K293 Y294	F45-L296 HydrophobicContact CB-CD1 4.41Å; F45-L296 HydrophobicContact CD1-CD1 3.34Å; F45-L296 HydrophobicContact CE1-CD1 3.6Å; F45-L296 HydrophobicContact CG-CD1 3.89Å; F45-L296 HydrophobicContact CZ-CD1 4.37Å; L273-L296 HydrophobicContact CD2-CD1 4.45Å; L273-L296 HydrophobicContact CD2-CD2 3.89Å; L273-L296 HydrophobicContact CD2-CG 3.82Å; E276-L296 HydrophobicContact CB-CD1 4.47Å; E276-L296 HydrophobicContact CB-CD2 3.58Å; S277-L296 WeakPolarHBondContact OG-CD2 3.23Å; K293-L296 HydrophobicContact CB-CB 4.48Å; K293-L296 WeakPolarHBondContact O-CB 3.48Å; K293-L296 PolarHBondContact O-N 3.4Å; Y294-L296 PolarHBondContact O-N 3.03Å; Y294-L296 VanDerWaalsContact O-N 3.14Å
297	F	70.5	Confident	60.3	Low	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-95.6	-25.6	-173.5	-67.8	-88.7	0	0	0	114.2	F52 L73 L273 S277 L285 I290 K293 Y294	F52-F297 HydrophobicContact CD1-CB 4.11Å; F52-F297 HydrophobicContact CD1-CD1 4.08Å; F52-F297 AromaticContact CD2-CD1 3.6Å; F52-F297 HydrophobicContact CD2-CD1 3.6Å; F52-F297 HydrophobicContact CD2-CE1 4.08Å; F52-F297 HydrophobicContact CE1-CB 4.26Å; F52-F297 HydrophobicContact CE1-CD1 4.11Å; F52-F297 AromaticContact CE2-CD1 3.57Å; F52-F297 HydrophobicContact CE2-CD1 3.57Å; F52-F297 AromaticContact CE2-CE1 3.9Å; F52-F297 HydrophobicContact CE2-CE1 3.9Å; F52-F297 AromaticContact CG-CD1 3.84Å; F52-F297 HydrophobicContact CG-CD1 3.84Å; F52-F297 AromaticContact CZ-CD1 3.84Å; F52-F297 HydrophobicContact CZ-CD1 3.84Å; F52-F297 HydrophobicContact CZ-CE1 4.45Å; L73-F297 HydrophobicContact CD1-CB 3.58Å; L73-F297 HydrophobicContact CD1-CG 4.43Å; L73-F297 HydrophobicContact CD2-CB 4.09Å; L73-F297 HydrophobicContact CG-CB 4.48Å; L273-F297 HydrophobicContact CB-CE1 4.01Å; L273-F297 HydrophobicContact CB-CZ 4.2Å; L273-F297 HydrophobicContact CD1-CD1 4.39Å; L273-F297 HydrophobicContact CD1-CE1 4.02Å; L273-F297 HydrophobicContact CD2-CD1 4.04Å; L273-F297 HydrophobicContact CD2-CE1 3.83Å; L273-F297 HydrophobicContact CD2-CZ 4.24Å; L273-F297 HydrophobicContact CG-CE1 4.18Å; S277-F297 WeakPolarHBondContact OG-CE2 3.24Å; S277-F297 WeakPolarHBondContact OG-CZ 3.32Å; L285-F297 HydrophobicContact CD1-CZ 3.87Å; I290-F297 HydrophobicContact CB-CE2 4.24Å; I290-F297 HydrophobicContact CB-CZ 4.49Å; I290-F297 HydrophobicContact CG1-CE2 4.24Å; I290-F297 HydrophobicContact CG1-CZ 4.05Å; I290-F297 HydrophobicContact CG2-CD1 4.28Å; I290-F297 HydrophobicContact CG2-CD2 3.88Å; I290-F297 HydrophobicContact CG2-CE1 4.34Å; I290-F297 HydrophobicContact CG2-CE2 3.96Å; I290-F297 HydrophobicContact CG2-CG 4.06Å; I290-F297 HydrophobicContact CG2-CZ 4.21Å; K293-F297 HydrophobicContact CB-CD2 4.34Å; K293-F297 HydrophobicContact CB-CE2 4.16Å; K293-F297 WeakPolarHBondContact O-CD2 3.23Å; Y294-F297 PolarHBondContact O-N 3.46Å
298	V	63.4	Low	57.3	Low	4 Å²	4	60.7 Å²	60.7	2%	0.024	34%	0.335	C	S	.	.	H	α-helix	trans	-138.5	2.3	-172.2	-80.3	0	0	0	0	113.3	H49 L53 F61 L73 Y294	H49-V298 PolarHBondContact CE1-O 3.11Å; H49-V298 WeakPolarHBondContact ND1-CA 3.27Å; H49-V298 PolarHBondContact ND1-O 3.43Å; L53-V298 HydrophobicContact CD1-CB 4.38Å; L53-V298 HydrophobicContact CD1-CG1 3.61Å; L53-V298 HydrophobicContact CD2-CG1 3.78Å; L53-V298 HydrophobicContact CG-CG1 4.18Å; F61-V298 HydrophobicContact CB-CB 4.47Å; F61-V298 HydrophobicContact CB-CG1 4.4Å; F61-V298 HydrophobicContact CD1-CB 3.59Å; F61-V298 HydrophobicContact CD1-CG1 3.18Å; F61-V298 HydrophobicContact CD1-CG2 4.4Å; F61-V298 HydrophobicContact CD2-CG1 4.24Å; F61-V298 HydrophobicContact CE1-CB 3.94Å; F61-V298 HydrophobicContact CE1-CG1 3.13Å; F61-V298 HydrophobicContact CE1-CG2 4.47Å; F61-V298 HydrophobicContact CE2-CG1 4.24Å; F61-V298 HydrophobicContact CG-CB 4.22Å; F61-V298 HydrophobicContact CG-CG1 3.73Å; F61-V298 HydrophobicContact CZ-CG1 3.67Å; L73-V298 HydrophobicContact CB-CG1 4.47Å; L73-V298 HydrophobicContact CB-CG2 4.45Å; L73-V298 HydrophobicContact CD1-CB 4.35Å; L73-V298 HydrophobicContact CD1-CG1 3.45Å; L73-V298 VanDerWaalsContact CD1-CG1 3.45Å; L73-V298 HydrophobicContact CD1-CG2 4Å; L73-V298 HydrophobicContact CD2-CG2 4.04Å; L73-V298 HydrophobicContact CG-CG1 4.46Å; L73-V298 HydrophobicContact CG-CG2 4.41Å; Y294-V298 HydrophobicContact CD2-CG2 3.89Å; Y294-V298 HydrophobicContact CG-CG2 4.23Å; Y294-V298 WeakPolarHBondContact O-CA 3.12Å; Y294-V298 WeakPolarHBondContact O-CG2 3.19Å; Y294-V298 PolarHBondContact O-N 2.96Å
299	G	44.7	Very low	54.2	Low	9 Å²	9	62 Å²	62	9%	0.093	35%	0.345	C	S	.	.			trans	-102.1	110.1	-173.6	0	0	0	0	0	113.8	Y294 D295 Q301	Y294-G299 PolarHBondContact O-N 3.37Å; D295-G299 CarbonylContact O-C 3.57Å; D295-G299 WeakPolarHBondContact O-CA 3.48Å; D295-G299 PolarHBondContact O-N 2.98Å; D295-G299 VanDerWaalsContact O-O 3.12Å; G299-Q301 PolarHBondContact O-N 3.44Å
300	S	35.4	Very low	51.2	Low	35 Å²	35	67.5 Å²	67.5	25%	0.245	38%	0.38	C	S	.	.			trans	-73.1	95	142.8	54.3	0	0	0	0	108.4	D46 D62 A302	D46-S300 WeakPolarHBondContact OD1-CA 3.38Å; D62-S300 WeakPolarHBondContact OD1-CB 3.46Å; D62-S300 PolarHBondContact OD1-OG 3.25Å; S300-A302 PolarHBondContact O-N 3.09Å
301	Q	30.7	Very low	48.3	Very low	114 Å²	114	76.9 Å²	76.9	53%	0.533	42%	0.415	S	S	.	.			trans	-76.5	57.9	150.2	-92.3	-162.9	25.7	0	0	109.3	G299 T303	G299-Q301 PolarHBondContact O-N 3.44Å; Q301-T303 HydrophobicContact CB-CG2 4.06Å; Q301-T303 HydrophobicContact CG-CG2 3.85Å; Q301-T303 PolarHBondContact O-N 3.04Å
302	A	29.3	Very low	45.4	Very low	79 Å²	79	83.6 Å²	83.6	65%	0.653	45%	0.445	S	S	*	.			trans	-61.5	75.2	130.2	0	0	0	0	0	105.8	S300 D304	S300-A302 PolarHBondContact O-N 3.09Å; A302-D304 PolarHBondContact O-N 3.11Å
303	T	32.9	Very low	42.5	Very low	59 Å²	59	85.1 Å²	85.1	36%	0.362	45%	0.453	S	S	.	.			trans	-55.5	118.3	162	55	0	0	0	0	104.8	Q301 F305 G306	Q301-T303 HydrophobicContact CB-CG2 4.06Å; Q301-T303 HydrophobicContact CG-CG2 3.85Å; Q301-T303 PolarHBondContact O-N 3.04Å; T303-F305 HydrophobicContact CG2-CD2 4.45Å; T303-F305 PolarHBondContact O-N 2.81Å; T303-G306 PolarHBondContact O-N 3.05Å
304	D	29.6	Very low	39.7	Very low	132 Å²	132	89.7 Å²	89.7	71%	0.706	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	33.1	148.7	-147.3	1.4	0	0	0	110.2	A302	A302-D304 PolarHBondContact O-N 3.11Å
305	F	26.7	Very low	37.7	Very low	151 Å²	151	100.4 Å²	100.4	66%	0.662	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.5	156.9	-68.7	-87	0	0	0	111.1	T303	T303-F305 HydrophobicContact CG2-CD2 4.45Å; T303-F305 PolarHBondContact O-N 2.81Å
306	G	26.9	Very low	35.9	Very low	44 Å²	44	102.7 Å²	102.7	45%	0.454	54%	0.535	S	S	.	.	S	Bend	trans	-85.3	-24.6	165.4	0	0	0	0	0	113.4	T303	T303-G306 PolarHBondContact O-N 3.05Å
307	E	28.2	Very low	33.9	Very low	142 Å²	142	107.7 Å²	107.7	66%	0.664	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	165.3	-125.7	-168.6	-166.1	0	0	112.4
308	A	27	Very low	31.8	Very low	58 Å²	58	113.7 Å²	113.7	48%	0.479	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-3.4	177	0	0	0	0	0	114.4
309	L	27.3	Very low	30	Very low	152 Å²	152	120.1 Å²	120.1	80%	0.796	63%	0.626	S	S	*	*	S	Bend	trans	-115.8	5.7	-179.6	-78.6	162.8	0	0	0	114.8
310	V	31	Very low	29.1	Very low	130 Å²	130	127.1 Å²	127.1	79%	0.788	66%	0.659	S	S	*	*	S	Bend	trans	-121.3	20.3	165	-159.4	0	0	0	0	112.2
311	R	25.9	Very low	28.6	Very low	197 Å²	197	133.2 Å²	133.2	74%	0.743	69%	0.686	S	S	*	*			trans	-100.7	83.5	160.9	-82.2	-172.2	179.2	163.1	7.9	109.4
312	H	25.6	Very low	28.5	Very low	166 Å²	166	134.6 Å²	134.6	77%	0.769	70%	0.697	S	S	*	*			trans	164	123	160.8	-94.2	-73.6	0	0	0	105.2
313	D	26.5	Very low	28.4	Very low	128 Å²	128	138.8 Å²	138.8	68%	0.684	70%	0.701	S	S	*	*			cis	-156	147.8	16.9	-85.6	-45.1	0	0	0	109.9
314	E	26.2	Very low	28.1	Very low	166 Å²	166	145.5 Å²	145.5	78%	0.776	73%	0.729	S	S	*	*			trans	26.8	103.4	150.9	-57.8	-174.4	160.8	0	0	119.4
315	F	35.9	Very low	27.9	Very low	280 Å²	280	146.7 Å²	146.7	100%	1.228	73%	0.731	S	S	*	*				-176.3	0	115.8	-91.9	-68.4	0	0	0	111.5

Retrieved 315 of 315 residues in 88.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).