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Calumenin

Involved in regulation of vitamin K-dependent carboxylation of multiple N-terminal glutamate residues. Seems to inhibit gamma-carboxylase GGCX. Binds 7 calcium ions with a low affinity (By similarity).

AlphaFold DB , UniProt , Accession O43852, Species HUMAN (Homo sapiens, Human), Gene CALU, Length 315 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 832.1 ms (Link to these results)

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