A0A077ZJF1_TRITR Loading...

Metalloendopeptidase

Metalloprotease.

AlphaFold DB , UniProt , Accession A0A077ZJF1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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	27	Very low	32.7	Very low	208 Å²	208	109.7 Å²	109.7	100%	1.025	58%	0.575	S	S	*	*				0	108.4	0	-126.4	160.4	73.9	0	0	105.4
2	Q	28.1	Very low	32.2	Very low	159 Å²	159	114.1 Å²	114.1	74%	0.743	60%	0.597	S	S	*	*			trans	-85.9	107.4	-179	-72	176.2	-70.2	0	0	107.5	V4	Q2-V4 VanDerWaalsContact C-N 3.35Å; Q2-V4 HydrophobicContact CB-CG2 3.93Å; Q2-V4 PolarHBondContact O-N 2.87Å
3	I	34.8	Very low	31.6	Very low	56 Å²	56	111.5 Å²	111.5	29%	0.287	62%	0.615	S	S	.	*			trans	-90.3	88.2	174.4	-61.7	119.6	0	0	0	107.3	C5 E144 V147	I3-C5 PolarHBondContact O-N 2.88Å; I3-E144 WeakPolarHBondContact CD1-OE1 2.83Å; I3-E144 WeakPolarHBondContact CD1-OE2 3.25Å; I3-E144 WeakPolarHBondContact CG1-OE1 3.15Å; I3-E144 WeakPolarHBondContact CG1-OE2 3.09Å; I3-V147 HydrophobicContact CG2-CG2 3.64Å
4	V	40.5	Very low	31.5	Very low	59 Å²	59	112.1 Å²	112.1	36%	0.358	63%	0.631	S	S	.	*			trans	-87.4	99.4	178.9	178.2	0	0	0	0	105.5	Q2 Q6	Q2-V4 VanDerWaalsContact C-N 3.35Å; Q2-V4 HydrophobicContact CB-CG2 3.93Å; Q2-V4 PolarHBondContact O-N 2.87Å; V4-Q6 HydrophobicContact CG1-CB 3.24Å; V4-Q6 HydrophobicContact CG1-CG 3.58Å; V4-Q6 PolarHBondContact O-N 3.14Å
5	C	40.6	Very low	31.3	Very low	18 Å²	18	116.4 Å²	116.4	12%	0.122	64%	0.64	C	S	.	*			trans	-61.9	26.8	157.4	-75	0	0	0	0	111.8	I3 C123 V147	I3-C5 PolarHBondContact O-N 2.88Å; C5-C123 HydrophobicContact CB-CB 4.42Å; C5-C123 VanDerWaalsContact SG-SG 3.63Å; C5-V147 VanDerWaalsContact SG-CG1 3.58Å
6	Q	40.4	Very low	31.2	Very low	43 Å²	43	120.5 Å²	120.5	20%	0.201	66%	0.66	C	S	.	*			trans	-124.5	68.1	-169.5	-37.6	177.8	-28.1	0	0	109.5	V4 F214	V4-Q6 HydrophobicContact CG1-CB 3.24Å; V4-Q6 HydrophobicContact CG1-CG 3.58Å; V4-Q6 PolarHBondContact O-N 3.14Å; Q6-F214 HydrophobicContact CB-CE1 4.1Å; Q6-F214 HydrophobicContact CB-CZ 4.13Å; Q6-F214 HydrophobicContact CG-CE1 4.34Å; Q6-F214 HydrophobicContact CG-CE2 4.1Å; Q6-F214 HydrophobicContact CG-CZ 3.93Å; Q6-F214 VanDerWaalsContact NE2-CE2 3.34Å
7	K	33.5	Very low	30.8	Very low	164 Å²	164	121.6 Å²	121.6	71%	0.713	66%	0.659	S	S	*	*			trans	-141.1	99.7	154.8	-81.5	-170.1	178.6	175.9	0	108.5
8	Q	30.9	Very low	30.5	Very low	128 Å²	128	123 Å²	123	60%	0.598	67%	0.666	S	S	*	*				160.2	109.6	116.1	-86.5	170.8	4.6	0	0	111.8	D121	Q8-D121 PolarHBondContact OE1-OD2 2.9Å
9	A	28.4	Very low	30.6	Very low	77 Å²	77	125.9 Å²	125.9	64%	0.636	68%	0.681	S	S	*	*			trans	-155.3	58.6	137.3	0	0	0	0	0	109.2
10	V	28.9	Very low	30.5	Very low	134 Å²	134	128.2 Å²	128.2	81%	0.812	69%	0.692	S	S	*	*			trans	-99.6	109.4	155.7	-179.5	0	0	0	0	106.8	L12	V10-L12 PolarHBondContact O-N 3.01Å
11	I	26.6	Very low	30.4	Very low	161 Å²	161	130.3 Å²	130.3	83%	0.826	70%	0.698	S	S	*	*			trans	-56.8	109.1	179.8	-61.3	162	0	0	0	109.7
12	L	26.9	Very low	30.7	Very low	162 Å²	162	126.7 Å²	126.7	85%	0.848	69%	0.688	S	S	*	*			trans	-141.6	109.2	157.3	-87.6	168.2	0	0	0	108.5	V10	V10-L12 PolarHBondContact O-N 3.01Å
13	G	24.5	Very low	30.6	Very low	80 Å²	80	128 Å²	128	83%	0.825	69%	0.691	S	S	*	*			trans	-66	135.9	-179.1	0	0	0	0	0	112.7
14	S	30.5	Very low	30.6	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	71%	0.707	S	S	*	*			trans	-154.7	144.6	151.6	56.4	0	0	0	0	109.6
15	K	27.9	Very low	30.1	Very low	176 Å²	176	138.1 Å²	138.1	77%	0.765	73%	0.725	S	S	*	*			trans	-63.4	134.7	-163.5	-66.7	169.4	167.1	-170.4	0	113.4
16	L	29.5	Very low	29.9	Very low	182 Å²	182	145.4 Å²	145.4	95%	0.953	76%	0.755	S	S	*	*			trans	-118.4	93.5	152.9	-84.9	162	0	0	0	107.6
17	E	24.4	Very low	30.1	Very low	139 Å²	139	145 Å²	145	65%	0.65	76%	0.758	S	S	*	*			trans	-85.9	140.1	164.8	-77.2	170.4	-174.9	0	0	108.6
18	N	25.8	Very low	30.9	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	76%	0.757	S	S	*	*			trans	82.7	75.6	162.3	-54.9	-29.8	0	0	0	119.1
19	L	32.6	Very low	32	Very low	179 Å²	179	138.9 Å²	138.9	94%	0.937	74%	0.742	S	S	*	*			trans	-144.2	114.8	136.5	-78.4	179.4	0	0	0	109.9	E21	L19-E21 PolarHBondContact O-N 3.29Å
20	N	27.9	Very low	33.2	Very low	171 Å²	171	137.2 Å²	137.2	91%	0.914	72%	0.724	S	S	*	*			trans	-74.5	102.7	172.6	-103.5	-14.6	0	0	0	109.3
21	E	29.4	Very low	34.6	Very low	172 Å²	172	131.1 Å²	131.1	80%	0.804	69%	0.687	S	S	*	*	S	Bend	trans	-178.2	111.1	138.6	-104.8	174.7	-178.3	0	0	108.8	L19	L19-E21 PolarHBondContact O-N 3.29Å
22	T	32.7	Very low	36	Very low	133 Å²	133	124.3 Å²	124.3	82%	0.816	66%	0.657	S	S	*	*	S	Bend	trans	61.8	114.2	174.2	16.2	0	0	0	0	116.5	R24	T22-R24 PolarHBondContact O-N 3.02Å
23	K	25.7	Very low	38	Very low	185 Å²	185	116.6 Å²	116.6	80%	0.804	62%	0.617	S	S	*	*			trans	-35.3	93.3	171.4	-69.3	175.1	175	177.8	0	112.9	H25	K23-H25 VanDerWaalsContact C-N 3.33Å; K23-H25 PolarHBondContact O-N 2.91Å
24	R	34.8	Very low	39.5	Very low	170 Å²	170	113.1 Å²	113.1	64%	0.642	58%	0.579	S	S	*	*			trans	-74.5	90.3	165.5	-71.3	-174	178.6	-151.9	-5.5	107.3	T22 K26 E118	T22-R24 PolarHBondContact O-N 3.02Å; R24-K26 PolarHBondContact O-N 2.75Å; R24-E118 IonicContact CZ-OE1 3.06Å; R24-E118 IonicContact CZ-OE2 3.24Å; R24-E118 IonicContact NH1-OE1 3.75Å; R24-E118 PolarHBondContact NH1-OE1 3.17Å; R24-E118 IonicContact NH1-OE2 3.78Å; R24-E118 PolarHBondContact NH1-OE2 3.14Å; R24-E118 IonicContact NH2-OE1 2.75Å; R24-E118 PolarHBondContact NH2-OE1 3.4Å; R24-E118 IonicContact NH2-OE2 3.42Å; R24-E118 PolarHBondContact NH2-OE2 3.09Å; R24-E118 VanDerWaalsContact NH2-OE2 3.16Å
25	H	30.7	Very low	40.4	Very low	158 Å²	158	107.5 Å²	107.5	73%	0.731	54%	0.54	S	S	*	.			trans	-66.2	123.6	165.5	-76.5	-67.1	0	0	0	107.7	K23 A27	K23-H25 VanDerWaalsContact C-N 3.33Å; K23-H25 PolarHBondContact O-N 2.91Å; H25-A27 PolarHBondContact O-N 2.91Å
26	K	35.9	Very low	41.4	Very low	172 Å²	172	99.7 Å²	99.7	75%	0.748	51%	0.51	S	S	*	.			trans	-59.7	105.4	168.7	-160.3	171.2	-170.7	171.7	0	106.6	R24 T28 D121	R24-K26 PolarHBondContact O-N 2.75Å; K26-T28 PolarHBondContact O-N 3.18Å; K26-D121 IonicContact NZ-OD2 3.62Å; K26-D121 PolarHBondContact NZ-OD2 3.12Å
27	A	45.8	Very low	41.7	Very low	33 Å²	33	97.1 Å²	97.1	27%	0.273	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65	127.5	-178.3	0	0	0	0	0	107.9	H25 L29 A35 F126	H25-A27 PolarHBondContact O-N 2.91Å; A27-L29 PolarHBondContact O-N 3.44Å; A27-A35 HydrophobicContact CB-CB 4.1Å; A27-F126 HydrophobicContact CB-CZ 4.44Å
28	T	49	Very low	42.2	Very low	111 Å²	111	91.3 Å²	91.3	68%	0.681	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-61.4	122.5	169	-54.5	0	0	0	0	107.4	K26 G36	K26-T28 PolarHBondContact O-N 3.18Å; T28-G36 PolarHBondContact O-N 2.76Å
29	L	54.5	Low	42.3	Very low	53 Å²	53	88 Å²	88	28%	0.277	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.9	173.6	-58.4	-177.4	0	0	0	109.2	A27 G32 V34 A35 Y124	A27-L29 PolarHBondContact O-N 3.44Å; L29-G32 WeakPolarHBondContact CD1-O 3.29Å; L29-V34 CarbonylContact C-O 3.55Å; L29-V34 VanDerWaalsContact CA-O 3.25Å; L29-V34 WeakPolarHBondContact CA-O 3.21Å; L29-A35 HydrophobicContact CD2-CB 3.98Å; L29-Y124 HydrophobicContact CD1-CD1 4.11Å; L29-Y124 HydrophobicContact CD1-CG 4.47Å; L29-Y124 HydrophobicContact CD2-CD1 4.06Å; L29-Y124 HydrophobicContact CD2-CD2 4.1Å; L29-Y124 HydrophobicContact CD2-CG 3.77Å
30	T	53.8	Low	42.6	Very low	42 Å²	42	80.8 Å²	80.8	26%	0.258	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.2	168.2	61.9	0	0	0	0	107.8	G32 V34	T30-G32 PolarHBondContact O-N 2.62Å; T30-G32 VanDerWaalsContact O-N 3.15Å; T30-V34 PolarHBondContact N-O 2.96Å; T30-V34 WeakPolarHBondContact O-CA 3.43Å; T30-V34 WeakPolarHBondContact O-CB 3.44Å; T30-V34 PolarHBondContact O-N 3.36Å
31	A	57.9	Low	43	Very low	6 Å²	6	77 Å²	77	5%	0.05	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	43.8	-175.8	0	0	0	0	0	113.2	D33 H160 E185 Y209	A31-D33 PolarHBondContact O-N 2.78Å; A31-H160 WeakPolarHBondContact CB-ND1 3.31Å; A31-H160 PolarHBondContact O-CE1 2.99Å; A31-E185 WeakPolarHBondContact CA-OE2 3.21Å; A31-E185 PolarHBondContact N-OE2 2.77Å; A31-Y209 VanDerWaalsContact C-OH 3.31Å; A31-Y209 PolarHBondContact O-OH 2.85Å
32	G	56.6	Low	43	Very low	18 Å²	18	74.7 Å²	74.7	19%	0.186	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-37.6	164.2	0	0	0	0	0	115.3	L29 T30 E185	L29-G32 WeakPolarHBondContact CD1-O 3.29Å; T30-G32 PolarHBondContact O-N 2.62Å; T30-G32 VanDerWaalsContact O-N 3.15Å; G32-E185 PolarHBondContact N-OE2 3.1Å
33	D	68.6	Low	43	Very low	1 Å²	1	76.3 Å²	76.3	1%	0.005	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	4.9	-167.3	54.4	26.6	0	0	0	112.3	A31 C123 Y124 S125 H150 H154 H160 Y209	A31-D33 PolarHBondContact O-N 2.78Å; D33-C123 VanDerWaalsContact CB-O 3.32Å; D33-C123 WeakPolarHBondContact CB-O 3.37Å; D33-Y124 CarbonylContact O-C 3.6Å; D33-Y124 WeakPolarHBondContact O-CA 3.46Å; D33-Y124 WeakPolarHBondContact O-CB 3.19Å; D33-S125 PolarHBondContact O-N 2.85Å; D33-H150 IonicContact OD2-NE2 3.79Å; D33-H150 PolarHBondContact OD2-NE2 3.37Å; D33-H154 IonicContact OD1-NE2 2.95Å; D33-H154 PolarHBondContact OD1-NE2 3.28Å; D33-H160 VanDerWaalsContact CG-NE2 3.28Å; D33-H160 IonicContact OD1-CE1 3.16Å; D33-H160 PolarHBondContact OD1-CE1 2.57Å; D33-H160 IonicContact OD1-NE2 2.77Å; D33-H160 PolarHBondContact OD1-NE2 2.84Å; D33-H160 IonicContact OD2-CE1 3.53Å; D33-H160 IonicContact OD2-NE2 3.66Å; D33-H160 PolarHBondContact OD2-NE2 3.05Å; D33-Y209 PolarHBondContact OD2-OH 3.26Å
34	V	54.7	Low	43.2	Very low	7 Å²	7	71.2 Å²	71.2	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.9	172.7	177.3	0	0	0	0	110.6	L29 T30 S125 I127	L29-V34 CarbonylContact C-O 3.55Å; L29-V34 VanDerWaalsContact CA-O 3.25Å; L29-V34 WeakPolarHBondContact CA-O 3.21Å; T30-V34 PolarHBondContact N-O 2.96Å; T30-V34 WeakPolarHBondContact O-CA 3.43Å; T30-V34 WeakPolarHBondContact O-CB 3.44Å; T30-V34 PolarHBondContact O-N 3.36Å; V34-S125 CarbonylContact C-O 3.49Å; V34-S125 WeakPolarHBondContact CA-O 3.17Å; V34-I127 HydrophobicContact CB-CD1 4.38Å; V34-I127 HydrophobicContact CG1-CD1 3.51Å; V34-I127 HydrophobicContact CG1-CG1 3.64Å; V34-I127 HydrophobicContact CG2-CD1 4.02Å; V34-I127 HydrophobicContact CG2-CG1 4.09Å
35	A	50.2	Low	43	Very low	3 Å²	3	69.7 Å²	69.7	3%	0.025	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.9	174.8	0	0	0	0	0	112.7	A27 L29 Y124 S125 F126	A27-A35 HydrophobicContact CB-CB 4.1Å; L29-A35 HydrophobicContact CD2-CB 3.98Å; A35-Y124 HydrophobicContact CB-CD2 3.69Å; A35-Y124 HydrophobicContact CB-CE2 4.12Å; A35-S125 PolarHBondContact N-O 2.68Å; A35-F126 HydrophobicContact CB-CD1 4.12Å; A35-F126 HydrophobicContact CB-CD2 4.09Å; A35-F126 HydrophobicContact CB-CE1 3.94Å; A35-F126 HydrophobicContact CB-CE2 3.9Å; A35-F126 HydrophobicContact CB-CG 4.2Å; A35-F126 HydrophobicContact CB-CZ 3.82Å; A35-F126 WeakPolarHBondContact O-CD1 3.41Å; A35-F126 WeakPolarHBondContact O-CE1 3.45Å
36	G	48.5	Very low	43.4	Very low	12 Å²	12	66.7 Å²	66.7	12%	0.124	37%	0.368	C	S	.	.	S	Bend	trans	92.2	157.8	166.3	0	0	0	0	0	114.3	T28 S38	T28-G36 PolarHBondContact O-N 2.76Å; G36-S38 PolarHBondContact O-N 3.4Å
37	Y	35.4	Very low	43.4	Very low	128 Å²	128	69 Å²	69	50%	0.502	37%	0.372	S	S	.	.			trans	-72	114.5	173.1	-170	-90.6	0	0	0	108.6	P39 I41 N42	Y37-P39 VanDerWaalsContact O-CD 3.3Å; Y37-P39 WeakPolarHBondContact O-CD 3.33Å; Y37-P39 VanDerWaalsContact O-N 3.09Å; Y37-I41 HydrophobicContact CE1-CB 4.18Å; Y37-I41 WeakPolarHBondContact OH-CG2 3.39Å; Y37-N42 HydrophobicContact CE1-CB 3.96Å; Y37-N42 PolarHBondContact OH-ND2 2.84Å; Y37-N42 PolarHBondContact OH-OD1 3.15Å
38	S	35.1	Very low	42.6	Very low	16 Å²	16	77.7 Å²	77.7	11%	0.112	40%	0.403	C	S	.	.			trans	-53.1	118	171.9	176.2	0	0	0	0	108.6	G36 L40 I41	G36-S38 PolarHBondContact O-N 3.4Å; S38-L40 PolarHBondContact O-N 3.18Å; S38-I41 PolarHBondContact O-N 3.05Å; S38-I41 VanDerWaalsContact O-N 3.13Å
39	P	29.6	Very low	41.8	Very low	78 Å²	78	76.3 Å²	76.3	51%	0.506	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.7	-176.5	-25	33.3	0	0	0	113.5	Y37	Y37-P39 VanDerWaalsContact O-CD 3.3Å; Y37-P39 WeakPolarHBondContact O-CD 3.33Å; Y37-P39 VanDerWaalsContact O-N 3.09Å
40	L	37.6	Very low	40.5	Very low	28 Å²	28	79.6 Å²	79.6	15%	0.147	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.4	-169.9	-60.4	168.2	0	0	0	113.2	S38 N42 Y65 I193	S38-L40 PolarHBondContact O-N 3.18Å; L40-N42 VanDerWaalsContact C-N 3.35Å; L40-Y65 HydrophobicContact CD1-CE2 4.18Å; L40-I193 HydrophobicContact CB-CD1 3.29Å; L40-I193 HydrophobicContact CB-CG1 3.62Å; L40-I193 HydrophobicContact CB-CG2 4.23Å; L40-I193 HydrophobicContact CD1-CB 4.01Å; L40-I193 HydrophobicContact CD1-CD1 4.33Å; L40-I193 HydrophobicContact CD1-CG1 3.86Å; L40-I193 HydrophobicContact CD1-CG2 3.18Å; L40-I193 HydrophobicContact CG-CD1 4.39Å; L40-I193 HydrophobicContact CG-CG1 4.25Å; L40-I193 HydrophobicContact CG-CG2 4.3Å
41	I	37.2	Very low	39.6	Very low	91 Å²	91	85 Å²	85	47%	0.467	45%	0.452	S	S	.	.	S	Bend	trans	-77.6	-19.9	173	-63.2	176.2	0	0	0	111.8	Y37 S38	Y37-I41 HydrophobicContact CE1-CB 4.18Å; Y37-I41 WeakPolarHBondContact OH-CG2 3.39Å; S38-I41 PolarHBondContact O-N 3.05Å; S38-I41 VanDerWaalsContact O-N 3.13Å
42	N	28.6	Very low	38.3	Very low	123 Å²	123	89.3 Å²	89.3	66%	0.658	49%	0.488	S	S	*	.			trans	-115.1	10.4	-174.4	-102.6	-12.8	0	0	0	116.7	Y37 L40 G44	Y37-N42 HydrophobicContact CE1-CB 3.96Å; Y37-N42 PolarHBondContact OH-ND2 2.84Å; Y37-N42 PolarHBondContact OH-OD1 3.15Å; L40-N42 VanDerWaalsContact C-N 3.35Å; N42-G44 PolarHBondContact O-N 3.26Å
43	R	32.2	Very low	37.1	Very low	168 Å²	168	99 Å²	99	63%	0.634	53%	0.525	S	S	*	.			trans	-76.8	85.8	160.7	-82.3	-173.3	178.4	147.2	1.4	108	D45	R43-D45 PolarHBondContact O-N 3.33Å
44	G	30.8	Very low	35.2	Very low	78 Å²	78	101.8 Å²	101.8	80%	0.804	55%	0.554	S	S	*	*			trans	-62.3	28.2	175.1	0	0	0	0	0	115.6	N42	N42-G44 PolarHBondContact O-N 3.26Å
45	D	30.4	Very low	34	Very low	138 Å²	138	104.4 Å²	104.4	74%	0.738	58%	0.576	S	S	*	*			trans	-134.6	69.8	-177.6	-88.9	-41.1	0	0	0	110.2	R43	R43-D45 PolarHBondContact O-N 3.33Å
46	I	39.8	Very low	33.6	Very low	95 Å²	95	104.5 Å²	104.5	49%	0.487	58%	0.576	S	S	.	*			trans	-110.9	84.6	164	-63.8	165.6	0	0	0	106.9	K48 Q192	I46-K48 PolarHBondContact O-N 2.79Å; I46-Q192 VanDerWaalsContact CG2-CD 3.49Å
47	R	34.2	Very low	33.5	Very low	221 Å²	221	106.2 Å²	106.2	83%	0.834	58%	0.579	S	S	*	*			trans	-58.1	129.6	168.1	-71.1	-177.1	176.3	-166.8	-1.4	108.5	S49	R47-S49 PolarHBondContact O-N 3.03Å
48	K	29.8	Very low	34.7	Very low	214 Å²	214	100.2 Å²	100.2	93%	0.93	56%	0.556	S	S	*	*			trans	-52.5	94.3	175.1	-69.1	176.2	177	175.9	0	110.7	I46	I46-K48 PolarHBondContact O-N 2.79Å
49	S	32.5	Very low	35.8	Very low	83 Å²	83	99.4 Å²	99.4	58%	0.58	55%	0.55	S	S	*	*			trans	-102.1	115.8	160.9	69.2	0	0	0	0	108.9	R47 L51	R47-S49 PolarHBondContact O-N 3.03Å; S49-L51 PolarHBondContact O-N 3.4Å; S49-L51 VanDerWaalsContact O-N 3.1Å
50	S	27.3	Very low	37.5	Very low	122 Å²	122	96 Å²	96	85%	0.853	53%	0.528	S	S	*	.			trans	-58.7	101.9	171.1	50.7	0	0	0	0	111.2
51	L	34.2	Very low	38.6	Very low	155 Å²	155	100 Å²	100	81%	0.812	54%	0.541	S	S	*	.			trans	-135	136.1	173.2	-82.2	155.7	0	0	0	110	S49	S49-L51 PolarHBondContact O-N 3.4Å; S49-L51 VanDerWaalsContact O-N 3.1Å
52	A	32.1	Very low	39.9	Very low	96 Å²	96	98.7 Å²	98.7	79%	0.793	53%	0.533	S	S	*	.			trans	-24.7	126.5	-164.7	0	0	0	0	0	119	G54	A52-G54 PolarHBondContact O-N 2.95Å
53	K	29.5	Very low	41.7	Very low	222 Å²	222	99 Å²	99	97%	0.965	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	116.7	162.1	-73	175.9	175.8	176.8	0	109.8
54	G	30.2	Very low	43.4	Very low	60 Å²	60	96.1 Å²	96.1	62%	0.619	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.2	3.1	157.1	0	0	0	0	0	120.3	A52	A52-G54 PolarHBondContact O-N 2.95Å
55	A	29.7	Very low	45.7	Very low	61 Å²	61	94.2 Å²	94.2	50%	0.504	50%	0.497	S	S	.	.			trans	-117.4	128.6	-175.3	0	0	0	0	0	113.7
56	S	41.4	Very low	48.4	Very low	5 Å²	5	89.7 Å²	89.7	4%	0.035	47%	0.469	C	S	.	.			trans	-90.7	162.1	179.5	-168.6	0	0	0	0	114	R164 S165 D166 T196	S56-R164 PolarHBondContact OG-NE 3.23Å; S56-R164 VanDerWaalsContact OG-NE 3.07Å; S56-R164 PolarHBondContact OG-NH2 2.89Å; S56-S165 WeakPolarHBondContact CA-OG 3.31Å; S56-D166 WeakPolarHBondContact CB-OD1 3.3Å; S56-D166 WeakPolarHBondContact CB-OD2 3.45Å; S56-D166 VanDerWaalsContact OG-CB 3.31Å; S56-D166 WeakPolarHBondContact OG-CB 3.18Å; S56-D166 PolarHBondContact OG-N 3.3Å; S56-D166 PolarHBondContact OG-OD1 3.11Å; S56-D166 PolarHBondContact OG-OD2 2.59Å; S56-T196 WeakPolarHBondContact O-CB 3.39Å; S56-T196 WeakPolarHBondContact O-CG2 3.45Å; S56-T196 PolarHBondContact O-N 2.95Å; S56-T196 PolarHBondContact O-OG1 3.11Å
57	R	46.6	Very low	50.9	Low	49 Å²	49	85.4 Å²	85.4	19%	0.185	45%	0.447	C	S	.	.			trans	-152.8	135.7	-171.5	-62.7	-161.9	-149.8	-158.4	15.7	117	R164 S165 D191 Y194	R57-R164 WeakPolarHBondContact O-CG 3.33Å; R57-S165 PolarHBondContact N-OG 3.23Å; R57-D191 HydrophobicContact CB-CB 4.28Å; R57-D191 VanDerWaalsContact CD-CA 3.49Å; R57-D191 WeakPolarHBondContact CD-O 3.42Å; R57-D191 HydrophobicContact CG-CB 3.9Å; R57-D191 IonicContact CZ-OD2 2.71Å; R57-D191 VanDerWaalsContact NE-CB 3.31Å; R57-D191 PolarHBondContact NE-O 3.11Å; R57-D191 IonicContact NE-OD2 2.75Å; R57-D191 PolarHBondContact NE-OD2 3.17Å; R57-D191 PolarHBondContact NH1-O 3.34Å; R57-D191 IonicContact NH2-OD2 3.87Å; R57-D191 PolarHBondContact NH2-OD2 3.49Å; R57-Y194 VanDerWaalsContact CB-C 3.42Å; R57-Y194 WeakPolarHBondContact CB-O 3.49Å; R57-Y194 WeakPolarHBondContact CD-O 3.45Å; R57-Y194 WeakPolarHBondContact CG-O 3.22Å
58	S	59.9	Low	53.6	Low	1 Å²	1	79 Å²	79	1%	0.007	43%	0.434	C	S	.	.			trans	-140.6	-7.2	-174.3	65.4	0	0	0	0	119.1	I159 D195	S58-I159 VanDerWaalsContact O-CG1 3.24Å; S58-I159 WeakPolarHBondContact O-CG1 3.42Å; S58-I159 PolarHBondContact O-N 3.33Å; S58-I159 VanDerWaalsContact O-N 3.14Å; S58-D195 CarbonylContact C-O 3.42Å; S58-D195 VanDerWaalsContact N-C 3.31Å; S58-D195 PolarHBondContact N-O 2.81Å
59	A	58.1	Low	56.5	Low	0 Å²	0	72.8 Å²	72.8	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.7	-176.5	0	0	0	0	0	111.7	R61 G157 F158 Y194 D195 L197 L249	A59-R61 PolarHBondContact O-N 3.27Å; A59-G157 CarbonylContact C-O 3.28Å; A59-G157 WeakPolarHBondContact CA-O 3.47Å; A59-F158 HydrophobicContact CB-CD1 3.8Å; A59-F158 HydrophobicContact CB-CE1 3.41Å; A59-F158 VanDerWaalsContact CB-CE1 3.41Å; A59-F158 HydrophobicContact CB-CZ 4.04Å; A59-Y194 CarbonylContact O-C 3.55Å; A59-Y194 VanDerWaalsContact O-C 3.23Å; A59-Y194 WeakPolarHBondContact O-CA 3.36Å; A59-D195 WeakPolarHBondContact CB-O 3.49Å; A59-D195 PolarHBondContact N-O 2.92Å; A59-D195 PolarHBondContact O-N 2.75Å; A59-L197 HydrophobicContact CB-CD1 3.76Å; A59-L197 HydrophobicContact CB-CD2 4.36Å; A59-L197 HydrophobicContact CB-CG 3.98Å; A59-L249 HydrophobicContact CB-CD1 4.03Å; A59-L249 HydrophobicContact CB-CD2 4.28Å
60	V	64.3	Low	59.4	Low	6 Å²	6	69 Å²	69	4%	0.036	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	128.4	-178.9	-68.4	0	0	0	0	112.4	I127 G157 Y194	V60-I127 HydrophobicContact CG1-CG2 3.64Å; V60-G157 PolarHBondContact N-O 2.96Å; V60-Y194 HydrophobicContact CG1-CD1 4.14Å; V60-Y194 HydrophobicContact CG1-CE1 3.69Å
61	R	61.4	Low	62.7	Low	111 Å²	111	68 Å²	68	42%	0.419	39%	0.386	S	S	.	.			trans	-73.2	-48	-179.2	-76.5	178.3	82.8	-164.9	-0.8	112.4	A59 R66 Q192 I193 Y194 D195	A59-R61 PolarHBondContact O-N 3.27Å; R61-R66 PolarHBondContact O-NH2 2.89Å; R61-R66 VanDerWaalsContact O-NH2 3.11Å; R61-Q192 VanDerWaalsContact CD-O 3.26Å; R61-Q192 WeakPolarHBondContact CD-O 3.48Å; R61-Q192 PolarHBondContact NH1-O 2.71Å; R61-I193 VanDerWaalsContact CB-O 3.26Å; R61-I193 WeakPolarHBondContact CB-O 3.49Å; R61-I193 VanDerWaalsContact CG-O 3.25Å; R61-I193 WeakPolarHBondContact CG-O 3.49Å; R61-I193 PolarHBondContact N-O 3.16Å; R61-Y194 WeakPolarHBondContact CD-O 3.39Å; R61-D195 HydrophobicContact CG-CB 3.82Å
62	E	64.4	Low	65.8	Low	65 Å²	65	60.7 Å²	60.7	30%	0.304	35%	0.348	S	S	.	.	S	Bend	trans	-71.2	132.8	-169.9	-62.1	175.1	169.3	0	0	110.7	E64 Y65	E62-E64 HydrophobicContact CB-CG 4.12Å; E62-E64 PolarHBondContact O-N 3.13Å; E62-Y65 HydrophobicContact CB-CD2 3.91Å; E62-Y65 HydrophobicContact CB-CE2 4.21Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 WeakPolarHBondContact OE2-CE2 3.24Å
63	L	66.9	Low	68.9	Low	130 Å²	130	56.5 Å²	56.5	68%	0.681	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64	-25.2	-177.3	-69.5	172.7	0	0	0	112.3	Y65 R66	L63-Y65 VanDerWaalsContact C-N 3.26Å; L63-Y65 PolarHBondContact O-N 2.82Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 3.04Å; L63-R66 VanDerWaalsContact O-N 3.09Å
64	E	67.7	Low	72.2	Confident	107 Å²	107	47.8 Å²	47.8	50%	0.5	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-64.3	-30.1	179.2	67.2	-173	134.2	0	0	112.8	E62 R66 R129	E62-E64 HydrophobicContact CB-CG 4.12Å; E62-E64 PolarHBondContact O-N 3.13Å; E64-R66 PolarHBondContact O-N 2.82Å; E64-R129 VanDerWaalsContact O-CZ 3.31Å; E64-R129 PolarHBondContact O-NE 2.83Å; E64-R129 PolarHBondContact O-NH2 2.95Å
65	Y	78.6	Confident	75.4	Confident	37 Å²	37	47.5 Å²	47.5	15%	0.145	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-83	2.5	176.2	-61.8	-62.7	0	0	0	113.6	L40 E62 L63 G128 R129	L40-Y65 HydrophobicContact CD1-CE2 4.18Å; E62-Y65 HydrophobicContact CB-CD2 3.91Å; E62-Y65 HydrophobicContact CB-CE2 4.21Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 WeakPolarHBondContact OE2-CE2 3.24Å; L63-Y65 VanDerWaalsContact C-N 3.26Å; L63-Y65 PolarHBondContact O-N 2.82Å; Y65-G128 CarbonylContact O-C 3.48Å; Y65-G128 WeakPolarHBondContact O-CA 3.32Å; Y65-R129 WeakPolarHBondContact CD1-O 3.21Å; Y65-R129 PolarHBondContact O-N 3.4Å
66	R	87.4	Confident	78.6	Confident	43 Å²	43	45.3 Å²	45.3	16%	0.162	24%	0.237	C	C	.	.	S	Bend	trans	-93.6	148	173.8	-55.5	-175.1	-166.1	177.2	8.6	109.7	R61 L63 E64 P68 R129 L249 Y250	R61-R66 PolarHBondContact O-NH2 2.89Å; R61-R66 VanDerWaalsContact O-NH2 3.11Å; L63-R66 WeakPolarHBondContact O-CB 3.33Å; L63-R66 PolarHBondContact O-N 3.04Å; L63-R66 VanDerWaalsContact O-N 3.09Å; E64-R66 PolarHBondContact O-N 2.82Å; R66-P68 WeakPolarHBondContact O-CD 3.49Å; R66-R129 PolarHBondContact O-NE 2.8Å; R66-R129 VanDerWaalsContact O-NE 3.15Å; R66-L249 VanDerWaalsContact CZ-CD1 3.44Å; R66-L249 PolarHBondContact NH1-O 3.46Å; R66-Y250 HydrophobicContact CB-CE1 4.08Å
67	W	92.9	Very high	81.3	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.019	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70.2	121.4	171	-68.8	96.2	0	0	0	110.5	G69 G70 E71 I72 D113 L115 R129 Q134 A155 Y250	W67-G69 PolarHBondContact O-N 3.39Å; W67-G70 PolarHBondContact O-N 2.78Å; W67-E71 WeakPolarHBondContact CB-O 3.26Å; W67-I72 HydrophobicContact CB-CG1 3.96Å; W67-I72 HydrophobicContact CD2-CB 4.34Å; W67-I72 HydrophobicContact CD2-CG1 4.04Å; W67-I72 HydrophobicContact CD2-CG2 4.06Å; W67-I72 HydrophobicContact CE3-CG2 4.4Å; W67-I72 HydrophobicContact CG-CB 4.46Å; W67-I72 HydrophobicContact CG-CD1 4.22Å; W67-I72 HydrophobicContact CG-CG1 3.66Å; W67-I72 HydrophobicContact CH2-CG2 4.47Å; W67-I72 HydrophobicContact CZ2-CG2 4.12Å; W67-D113 HydrophobicContact CZ3-CB 4.06Å; W67-L115 HydrophobicContact CH2-CD2 4.05Å; W67-L115 HydrophobicContact CH2-CG 4.43Å; W67-L115 HydrophobicContact CZ2-CD2 3.53Å; W67-L115 HydrophobicContact CZ2-CG 4.15Å; W67-R129 HydrophobicContact CD2-CB 3.94Å; W67-R129 HydrophobicContact CD2-CG 4.08Å; W67-R129 HydrophobicContact CE3-CB 4.35Å; W67-R129 HydrophobicContact CE3-CG 3.96Å; W67-R129 HydrophobicContact CG-CB 4.29Å; W67-R129 HydrophobicContact CH2-CG 4.05Å; W67-R129 HydrophobicContact CZ2-CB 4.16Å; W67-R129 HydrophobicContact CZ2-CG 4.17Å; W67-R129 HydrophobicContact CZ3-CG 3.94Å; W67-Q134 HydrophobicContact CH2-CG 4.37Å; W67-Q134 HydrophobicContact CZ2-CG 4.33Å; W67-A155 PolarHBondContact NE1-O 3.48Å; W67-Y250 HydrophobicContact CB-CE1 4.06Å; W67-Y250 PolarHBondContact N-OH 3.09Å
68	P	90.3	Very high	83.7	Confident	88 Å²	88	50.5 Å²	50.5	57%	0.571	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-56	130.6	-179.6	-26.5	35.6	0	0	0	111.7	R66 G70 E71	R66-P68 WeakPolarHBondContact O-CD 3.49Å; P68-G70 PolarHBondContact O-N 2.88Å; P68-E71 PolarHBondContact O-N 3.03Å
69	G	91.2	Very high	85.5	Confident	82 Å²	82	56.7 Å²	56.7	85%	0.845	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	67.1	1.8	-178.6	0	0	0	0	0	115.5	W67 E71	W67-G69 PolarHBondContact O-N 3.39Å; G69-E71 PolarHBondContact O-N 3.38Å
70	G	94.1	Very high	87.3	Confident	3 Å²	3	57 Å²	57	3%	0.031	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	72.4	13.2	-169.8	0	0	0	0	0	113.6	W67 P68 L101 R102	W67-G70 PolarHBondContact O-N 2.78Å; P68-G70 PolarHBondContact O-N 2.88Å; G70-L101 CarbonylContact O-C 3.53Å; G70-L101 VanDerWaalsContact O-CA 3.31Å; G70-L101 WeakPolarHBondContact O-CA 3.5Å; G70-L101 WeakPolarHBondContact O-CD2 3.31Å; G70-R102 PolarHBondContact O-N 3.33Å
71	E	96.2	Very high	88.9	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.4	174	-67.4	-174.3	176.7	0	0	109.7	W67 P68 G69 P73 R102 I104	W67-E71 WeakPolarHBondContact CB-O 3.26Å; P68-E71 PolarHBondContact O-N 3.03Å; G69-E71 PolarHBondContact O-N 3.38Å; E71-P73 WeakPolarHBondContact O-CD 3.25Å; E71-R102 CarbonylContact C-O 3.51Å; E71-R102 WeakPolarHBondContact CA-O 3.47Å; E71-I104 HydrophobicContact CB-CD1 4.07Å; E71-I104 HydrophobicContact CG-CD1 4.47Å
72	I	97.8	Very high	90.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	93.4	-178.2	-51.7	-176.2	0	0	0	107.6	W67 L101 R102 F103 I104 L115 T156	W67-I72 HydrophobicContact CB-CG1 3.96Å; W67-I72 HydrophobicContact CD2-CB 4.34Å; W67-I72 HydrophobicContact CD2-CG1 4.04Å; W67-I72 HydrophobicContact CD2-CG2 4.06Å; W67-I72 HydrophobicContact CE3-CG2 4.4Å; W67-I72 HydrophobicContact CG-CB 4.46Å; W67-I72 HydrophobicContact CG-CD1 4.22Å; W67-I72 HydrophobicContact CG-CG1 3.66Å; W67-I72 HydrophobicContact CH2-CG2 4.47Å; W67-I72 HydrophobicContact CZ2-CG2 4.12Å; I72-L101 HydrophobicContact CD1-CD1 4.16Å; I72-L101 HydrophobicContact CD1-CD2 4.39Å; I72-R102 PolarHBondContact N-O 3.21Å; I72-F103 HydrophobicContact CB-CD1 3.86Å; I72-F103 HydrophobicContact CB-CE1 4.03Å; I72-F103 HydrophobicContact CD1-CE1 3.93Å; I72-F103 HydrophobicContact CD1-CZ 4Å; I72-F103 HydrophobicContact CG2-CD1 3.84Å; I72-F103 HydrophobicContact CG2-CE1 3.77Å; I72-F103 WeakPolarHBondContact O-CA 3.26Å; I72-I104 PolarHBondContact O-N 2.92Å; I72-L115 HydrophobicContact CG2-CD1 3.54Å; I72-L115 HydrophobicContact CG2-CD2 4.48Å; I72-L115 HydrophobicContact CG2-CG 3.68Å; I72-T156 HydrophobicContact CD1-CG2 4.02Å
73	P	98	Very high	92.1	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	139.4	176.3	-19.2	34	0	0	0	110	E71 I104 R106 Q111 Y114 L115	E71-P73 WeakPolarHBondContact O-CD 3.25Å; P73-I104 CarbonylContact C-O 3.23Å; P73-I104 VanDerWaalsContact CA-O 3.24Å; P73-I104 WeakPolarHBondContact CA-O 3.19Å; P73-I104 HydrophobicContact CB-CG1 4.24Å; P73-I104 HydrophobicContact CG-CD1 4.3Å; P73-I104 HydrophobicContact CG-CG1 4.21Å; P73-R106 HydrophobicContact CB-CB 4.38Å; P73-Q111 HydrophobicContact CB-CB 3.8Å; P73-Q111 HydrophobicContact CB-CG 3.94Å; P73-Q111 HydrophobicContact CG-CB 3.63Å; P73-Q111 HydrophobicContact CG-CG 3.5Å; P73-Y114 CarbonylContact O-C 3.56Å; P73-Y114 WeakPolarHBondContact O-CA 3.48Å; P73-Y114 WeakPolarHBondContact O-CB 3.49Å; P73-L115 PolarHBondContact O-N 3.47Å
74	Y	98.4	Very high	93.5	Very high	40 Å²	40	58.6 Å²	58.6	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.8	-179.8	75.7	-88.8	0	0	0	113.2	I76 M92 F103 I104 P105 R106 L115	Y74-I76 HydrophobicContact CD2-CD1 4.26Å; Y74-I76 HydrophobicContact CD2-CG1 3.79Å; Y74-I76 HydrophobicContact CE2-CD1 3.76Å; Y74-I76 HydrophobicContact CE2-CG1 3.77Å; Y74-M92 HydrophobicContact CD1-CE 4.36Å; Y74-M92 HydrophobicContact CD1-SD 4.32Å; Y74-M92 HydrophobicContact CD2-CE 3.87Å; Y74-M92 HydrophobicContact CD2-SD 4.43Å; Y74-M92 HydrophobicContact CE1-SD 4.1Å; Y74-M92 HydrophobicContact CE2-CE 4.17Å; Y74-M92 HydrophobicContact CE2-SD 4.23Å; Y74-M92 HydrophobicContact CG-CE 3.97Å; Y74-M92 HydrophobicContact CG-SD 4.47Å; Y74-F103 HydrophobicContact CD1-CB 3.75Å; Y74-F103 HydrophobicContact CE1-CB 3.81Å; Y74-I104 VanDerWaalsContact CD1-C 3.49Å; Y74-I104 WeakPolarHBondContact CD1-O 3.34Å; Y74-I104 VanDerWaalsContact CE1-C 3.45Å; Y74-I104 PolarHBondContact N-O 2.94Å; Y74-P105 HydrophobicContact CE1-CG 4.41Å; Y74-R106 WeakPolarHBondContact O-CB 3.48Å; Y74-R106 PolarHBondContact O-N 2.88Å; Y74-L115 CarbonylContact C-O 3.5Å; Y74-L115 VanDerWaalsContact CA-O 3.25Å; Y74-L115 WeakPolarHBondContact CA-O 3.4Å
75	I	97.8	Very high	95	Very high	54 Å²	54	57 Å²	57	28%	0.277	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.6	163.1	-62.6	178.5	0	0	0	107.1	R106 Y114 L115 Y116 I117	I75-R106 HydrophobicContact CD1-CB 4.27Å; I75-R106 HydrophobicContact CG1-CB 3.79Å; I75-Y114 HydrophobicContact CD1-CD2 4.25Å; I75-Y114 HydrophobicContact CD1-CE2 3.85Å; I75-Y114 HydrophobicContact CG1-CD2 4.27Å; I75-Y114 HydrophobicContact CG1-CE2 4.31Å; I75-L115 PolarHBondContact N-O 3.22Å; I75-Y116 HydrophobicContact CB-CD2 3.85Å; I75-Y116 HydrophobicContact CB-CE2 4.17Å; I75-Y116 HydrophobicContact CG2-CD2 3.89Å; I75-Y116 HydrophobicContact CG2-CE2 3.66Å; I75-I117 PolarHBondContact O-N 3.42Å
76	I	97.8	Very high	95.9	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.1	169.2	-61.8	171.7	0	0	0	107.6	Y74 Y80 R85 I88 T89 M92 I117	Y74-I76 HydrophobicContact CD2-CD1 4.26Å; Y74-I76 HydrophobicContact CD2-CG1 3.79Å; Y74-I76 HydrophobicContact CE2-CD1 3.76Å; Y74-I76 HydrophobicContact CE2-CG1 3.77Å; I76-Y80 HydrophobicContact CG2-CD2 3.43Å; I76-Y80 VanDerWaalsContact CG2-CD2 3.43Å; I76-Y80 HydrophobicContact CG2-CE2 4.12Å; I76-Y80 HydrophobicContact CG2-CG 4.23Å; I76-R85 HydrophobicContact CG2-CG 3.97Å; I76-I88 HydrophobicContact CD1-CB 4.41Å; I76-I88 HydrophobicContact CD1-CG2 3.78Å; I76-I88 HydrophobicContact CG1-CG2 4.2Å; I76-I88 HydrophobicContact CG2-CD1 4.22Å; I76-T89 HydrophobicContact CD1-CG2 4Å; I76-M92 HydrophobicContact CD1-CE 4.45Å; I76-I117 HydrophobicContact CG1-CD1 4.36Å
77	S	97.4	Very high	96.4	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.028	33%	0.329	C	S	.	.			trans	-53.8	140.6	179.8	178.5	0	0	0	0	112.3	Q79 Y80 I117	S77-Q79 PolarHBondContact O-N 2.97Å; S77-Q79 VanDerWaalsContact O-N 3.09Å; S77-Q79 WeakPolarHBondContact OG-CB 3.48Å; S77-Q79 WeakPolarHBondContact OG-CG 3.24Å; S77-Q79 PolarHBondContact OG-N 3.11Å; S77-Q79 PolarHBondContact OG-NE2 3.14Å; S77-Y80 WeakPolarHBondContact O-CD2 3.42Å; S77-Y80 PolarHBondContact O-N 3.44Å; S77-Y80 VanDerWaalsContact O-N 3.14Å; S77-I117 VanDerWaalsContact CB-O 3.24Å; S77-I117 WeakPolarHBondContact CB-O 3.48Å; S77-I117 PolarHBondContact N-O 3.29Å
78	E	96.8	Very high	96.7	Very high	158 Å²	158	62.2 Å²	62.2	74%	0.738	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.2	173.5	-66.3	-57.4	133.3	0	0	113.5	Y80 R85	E78-Y80 PolarHBondContact O-N 3.14Å; E78-R85 IonicContact OE1-CZ 3.36Å; E78-R85 IonicContact OE1-NH2 3.33Å; E78-R85 PolarHBondContact OE1-NH2 3.48Å; E78-R85 IonicContact OE2-NH2 2.79Å; E78-R85 PolarHBondContact OE2-NH2 2.72Å
79	Q	96.9	Very high	97	Very high	131 Å²	131	60.1 Å²	60.1	61%	0.612	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.5	174.3	-64.5	177	68.9	0	0	113	S77 P119	S77-Q79 PolarHBondContact O-N 2.97Å; S77-Q79 VanDerWaalsContact O-N 3.09Å; S77-Q79 WeakPolarHBondContact OG-CB 3.48Å; S77-Q79 WeakPolarHBondContact OG-CG 3.24Å; S77-Q79 PolarHBondContact OG-N 3.11Å; S77-Q79 PolarHBondContact OG-NE2 3.14Å; Q79-P119 HydrophobicContact CB-CG 3.8Å
80	Y	97.2	Very high	97.4	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.027	29%	0.285	C	S	.	.	S	Bend	trans	-81	128.7	177.6	-65.9	-64.3	0	0	0	111.9	I76 S77 E78 Y84 R85 I88 I117 E118 P119 L138 M143	I76-Y80 HydrophobicContact CG2-CD2 3.43Å; I76-Y80 VanDerWaalsContact CG2-CD2 3.43Å; I76-Y80 HydrophobicContact CG2-CE2 4.12Å; I76-Y80 HydrophobicContact CG2-CG 4.23Å; S77-Y80 WeakPolarHBondContact O-CD2 3.42Å; S77-Y80 PolarHBondContact O-N 3.44Å; S77-Y80 VanDerWaalsContact O-N 3.14Å; E78-Y80 PolarHBondContact O-N 3.14Å; Y80-Y84 AromaticContact CD1-CD2 3.96Å; Y80-Y84 HydrophobicContact CD1-CD2 3.96Å; Y80-Y84 HydrophobicContact CD1-CG 4.44Å; Y80-R85 PolarHBondContact O-NE 3.1Å; Y80-R85 VanDerWaalsContact O-NE 3.17Å; Y80-I88 HydrophobicContact CD1-CD1 4.18Å; Y80-I88 HydrophobicContact CD2-CD1 3.92Å; Y80-I88 HydrophobicContact CE1-CD1 4.12Å; Y80-I88 HydrophobicContact CE2-CD1 3.81Å; Y80-I88 HydrophobicContact CG-CD1 4.07Å; Y80-I117 HydrophobicContact CE2-CG2 4.02Å; Y80-I117 WeakPolarHBondContact CE2-O 3.33Å; Y80-E118 WeakPolarHBondContact OH-CA 3.49Å; Y80-E118 PolarHBondContact OH-O 3.25Å; Y80-P119 HydrophobicContact CD1-CG 4.41Å; Y80-P119 HydrophobicContact CE1-CB 3.79Å; Y80-P119 HydrophobicContact CE1-CG 3.94Å; Y80-P119 VanDerWaalsContact OH-N 3.15Å; Y80-L138 WeakPolarHBondContact CE1-O 3.28Å; Y80-L138 WeakPolarHBondContact OH-CB 3.41Å; Y80-L138 PolarHBondContact OH-O 3.34Å; Y80-M143 HydrophobicContact CE1-CE 3.72Å
81	N	96.8	Very high	97.6	Very high	77 Å²	77	57.2 Å²	57.2	41%	0.412	28%	0.283	S	S	.	.			trans	-68	173.2	169.7	69.9	37.7	0	0	0	111.6	E83 Y84 R85	N81-E83 VanDerWaalsContact C-N 3.25Å; N81-E83 PolarHBondContact O-N 2.92Å; N81-E83 WeakPolarHBondContact OD1-CA 3Å; N81-E83 WeakPolarHBondContact OD1-CB 3.4Å; N81-E83 PolarHBondContact OD1-N 2.93Å; N81-Y84 PolarHBondContact O-N 2.72Å; N81-Y84 PolarHBondContact OD1-N 3.44Å; N81-R85 WeakPolarHBondContact O-CB 3.4Å; N81-R85 VanDerWaalsContact O-CG 3.31Å; N81-R85 WeakPolarHBondContact O-CG 3.35Å; N81-R85 PolarHBondContact O-N 3.16Å
82	S	97	Very high	97.7	Very high	90 Å²	90	52.4 Å²	52.4	63%	0.629	26%	0.261	S	S	*	.	H	α-helix	trans	-65.9	-24.3	-176.9	60.6	0	0	0	0	114.2	K86	S82-K86 VanDerWaalsContact O-CG 3.28Å; S82-K86 WeakPolarHBondContact O-CG 3.25Å; S82-K86 PolarHBondContact O-N 2.97Å
83	E	96.8	Very high	97.7	Very high	124 Å²	124	55.8 Å²	55.8	58%	0.579	28%	0.279	S	S	*	.	H	α-helix	trans	-74	-52	176.2	-177.5	176.3	-177.4	0	0	110.6	N81 R85 K86 I87	N81-E83 VanDerWaalsContact C-N 3.25Å; N81-E83 PolarHBondContact O-N 2.92Å; N81-E83 WeakPolarHBondContact OD1-CA 3Å; N81-E83 WeakPolarHBondContact OD1-CB 3.4Å; N81-E83 PolarHBondContact OD1-N 2.93Å; E83-R85 VanDerWaalsContact C-N 3.3Å; E83-R85 PolarHBondContact O-N 3.21Å; E83-K86 WeakPolarHBondContact O-CB 3.18Å; E83-K86 PolarHBondContact O-N 2.92Å; E83-I87 HydrophobicContact CG-CD1 4.5Å; E83-I87 WeakPolarHBondContact O-CG1 3.32Å; E83-I87 PolarHBondContact O-N 3.3Å; E83-I87 VanDerWaalsContact O-N 3.12Å
84	Y	97.4	Very high	97.7	Very high	54 Å²	54	56.2 Å²	56.2	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-39.6	178.8	-71.4	2.8	0	0	0	111.5	Y80 N81 K86 I87 I88 D140 M143	Y80-Y84 AromaticContact CD1-CD2 3.96Å; Y80-Y84 HydrophobicContact CD1-CD2 3.96Å; Y80-Y84 HydrophobicContact CD1-CG 4.44Å; N81-Y84 PolarHBondContact O-N 2.72Å; N81-Y84 PolarHBondContact OD1-N 3.44Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.27Å; Y84-I87 HydrophobicContact CD1-CD1 4.36Å; Y84-I87 PolarHBondContact O-N 2.91Å; Y84-I88 WeakPolarHBondContact O-CG1 3.48Å; Y84-I88 PolarHBondContact O-N 2.85Å; Y84-D140 WeakPolarHBondContact CE2-OD1 3.42Å; Y84-M143 HydrophobicContact CD1-CB 4.24Å; Y84-M143 HydrophobicContact CD1-CG 3.76Å; Y84-M143 HydrophobicContact CD1-SD 4.01Å; Y84-M143 HydrophobicContact CD2-CG 3.8Å; Y84-M143 HydrophobicContact CD2-SD 3.83Å; Y84-M143 HydrophobicContact CE1-CB 4.05Å; Y84-M143 HydrophobicContact CE1-CG 3.7Å; Y84-M143 HydrophobicContact CE2-CG 3.76Å; Y84-M143 HydrophobicContact CE2-SD 4.39Å; Y84-M143 HydrophobicContact CG-CG 3.8Å; Y84-M143 HydrophobicContact CG-SD 3.6Å
85	R	98.1	Very high	97.7	Very high	74 Å²	74	54.3 Å²	54.3	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-55.8	-41.6	171.7	-74.6	176.7	175.9	-114.9	10.8	112.3	I76 E78 Y80 N81 E83 I88 T89	I76-R85 HydrophobicContact CG2-CG 3.97Å; E78-R85 IonicContact OE1-CZ 3.36Å; E78-R85 IonicContact OE1-NH2 3.33Å; E78-R85 PolarHBondContact OE1-NH2 3.48Å; E78-R85 IonicContact OE2-NH2 2.79Å; E78-R85 PolarHBondContact OE2-NH2 2.72Å; Y80-R85 PolarHBondContact O-NE 3.1Å; Y80-R85 VanDerWaalsContact O-NE 3.17Å; N81-R85 WeakPolarHBondContact O-CB 3.4Å; N81-R85 VanDerWaalsContact O-CG 3.31Å; N81-R85 WeakPolarHBondContact O-CG 3.35Å; N81-R85 PolarHBondContact O-N 3.16Å; E83-R85 VanDerWaalsContact C-N 3.3Å; E83-R85 PolarHBondContact O-N 3.21Å; R85-I88 PolarHBondContact O-N 2.84Å; R85-T89 WeakPolarHBondContact O-CG2 3.19Å; R85-T89 PolarHBondContact O-N 3.4Å; R85-T89 PolarHBondContact O-OG1 2.61Å; R85-T89 VanDerWaalsContact O-OG1 3.06Å
86	K	97.8	Very high	97.7	Very high	151 Å²	151	53.7 Å²	53.7	66%	0.657	27%	0.269	S	S	*	.	H	α-helix	trans	-66.7	-38.8	178	-74.8	169.9	-177.4	178.4	0	112.6	S82 E83 Y84 T89 G90	S82-K86 VanDerWaalsContact O-CG 3.28Å; S82-K86 WeakPolarHBondContact O-CG 3.25Å; S82-K86 PolarHBondContact O-N 2.97Å; E83-K86 WeakPolarHBondContact O-CB 3.18Å; E83-K86 PolarHBondContact O-N 2.92Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.27Å; K86-T89 WeakPolarHBondContact CA-OG1 3.34Å; K86-T89 PolarHBondContact O-OG1 2.85Å; K86-T89 VanDerWaalsContact O-OG1 3.1Å; K86-G90 PolarHBondContact O-N 3.06Å
87	I	97.7	Very high	97.7	Very high	44 Å²	44	60.6 Å²	60.6	23%	0.226	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-45.1	177.9	-55.7	171	0	0	0	109.5	E83 Y84 G90 A91 M143 I148	E83-I87 HydrophobicContact CG-CD1 4.5Å; E83-I87 WeakPolarHBondContact O-CG1 3.32Å; E83-I87 PolarHBondContact O-N 3.3Å; E83-I87 VanDerWaalsContact O-N 3.12Å; Y84-I87 HydrophobicContact CD1-CD1 4.36Å; Y84-I87 PolarHBondContact O-N 2.91Å; I87-G90 PolarHBondContact O-N 3.34Å; I87-A91 PolarHBondContact O-N 2.79Å; I87-M143 HydrophobicContact CD1-CB 4.25Å; I87-I148 HydrophobicContact CB-CD1 4.34Å; I87-I148 HydrophobicContact CG2-CD1 3.67Å
88	I	98.4	Very high	97.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-49.7	176	-66.8	163.7	0	0	0	111.1	I76 Y80 Y84 R85 G90 A91 M92 I117 L138 I148	I76-I88 HydrophobicContact CD1-CB 4.41Å; I76-I88 HydrophobicContact CD1-CG2 3.78Å; I76-I88 HydrophobicContact CG1-CG2 4.2Å; I76-I88 HydrophobicContact CG2-CD1 4.22Å; Y80-I88 HydrophobicContact CD1-CD1 4.18Å; Y80-I88 HydrophobicContact CD2-CD1 3.92Å; Y80-I88 HydrophobicContact CE1-CD1 4.12Å; Y80-I88 HydrophobicContact CE2-CD1 3.81Å; Y80-I88 HydrophobicContact CG-CD1 4.07Å; Y84-I88 WeakPolarHBondContact O-CG1 3.48Å; Y84-I88 PolarHBondContact O-N 2.85Å; R85-I88 PolarHBondContact O-N 2.84Å; I88-G90 VanDerWaalsContact C-N 3.33Å; I88-G90 PolarHBondContact O-N 2.92Å; I88-A91 PolarHBondContact O-N 2.83Å; I88-M92 HydrophobicContact CG2-CE 3.73Å; I88-M92 WeakPolarHBondContact O-CG 3.3Å; I88-M92 PolarHBondContact O-N 3.07Å; I88-M92 VanDerWaalsContact O-N 3.13Å; I88-I117 HydrophobicContact CD1-CG2 4.16Å; I88-I117 HydrophobicContact CG2-CD1 3.96Å; I88-I117 HydrophobicContact CG2-CG2 4.43Å; I88-L138 HydrophobicContact CD1-CD1 4.41Å; I88-L138 HydrophobicContact CG1-CD1 4.08Å; I88-I148 HydrophobicContact CB-CD1 4.48Å; I88-I148 HydrophobicContact CG1-CD1 3.84Å
89	T	98.1	Very high	97.7	Very high	44 Å²	44	57.7 Å²	57.7	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-34.3	179.3	55.7	0	0	0	0	112.1	I76 R85 K86 A91 M92 D93	I76-T89 HydrophobicContact CD1-CG2 4Å; R85-T89 WeakPolarHBondContact O-CG2 3.19Å; R85-T89 PolarHBondContact O-N 3.4Å; R85-T89 PolarHBondContact O-OG1 2.61Å; R85-T89 VanDerWaalsContact O-OG1 3.06Å; K86-T89 WeakPolarHBondContact CA-OG1 3.34Å; K86-T89 PolarHBondContact O-OG1 2.85Å; K86-T89 VanDerWaalsContact O-OG1 3.1Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 2.85Å; T89-M92 WeakPolarHBondContact O-CB 3.45Å; T89-M92 PolarHBondContact O-N 3.41Å; T89-D93 PolarHBondContact O-N 3.2Å
90	G	98.3	Very high	97.7	Very high	23 Å²	23	53.4 Å²	53.4	24%	0.237	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-40.7	174.5	0	0	0	0	0	112.8	K86 I87 I88 D93 E94 H145	K86-G90 PolarHBondContact O-N 3.06Å; I87-G90 PolarHBondContact O-N 3.34Å; I88-G90 VanDerWaalsContact C-N 3.33Å; I88-G90 PolarHBondContact O-N 2.92Å; G90-D93 PolarHBondContact O-N 3.29Å; G90-E94 PolarHBondContact O-N 3.27Å; G90-E94 VanDerWaalsContact O-N 3.1Å; G90-H145 PolarHBondContact O-CE1 3.2Å; G90-H145 VanDerWaalsContact O-CE1 3.3Å
91	A	98.4	Very high	97.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-38.7	173.6	0	0	0	0	0	112.5	I87 I88 T89 I148 V149 L152	I87-A91 PolarHBondContact O-N 2.79Å; I88-A91 PolarHBondContact O-N 2.83Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 PolarHBondContact O-N 2.85Å; A91-I148 HydrophobicContact CB-CB 3.66Å; A91-I148 HydrophobicContact CB-CG2 3.48Å; A91-I148 VanDerWaalsContact CB-CG2 3.48Å; A91-V149 HydrophobicContact CB-CG2 3.77Å; A91-L152 HydrophobicContact CB-CD1 4.25Å
92	M	98.6	Very high	97.8	Very high	3 Å²	3	54 Å²	54	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-46.8	171.2	-66.1	173.4	178.7	0	0	111	Y74 I76 I88 T89 E94 I95 Q96 F103 I117 L152	Y74-M92 HydrophobicContact CD1-CE 4.36Å; Y74-M92 HydrophobicContact CD1-SD 4.32Å; Y74-M92 HydrophobicContact CD2-CE 3.87Å; Y74-M92 HydrophobicContact CD2-SD 4.43Å; Y74-M92 HydrophobicContact CE1-SD 4.1Å; Y74-M92 HydrophobicContact CE2-CE 4.17Å; Y74-M92 HydrophobicContact CE2-SD 4.23Å; Y74-M92 HydrophobicContact CG-CE 3.97Å; Y74-M92 HydrophobicContact CG-SD 4.47Å; I76-M92 HydrophobicContact CD1-CE 4.45Å; I88-M92 HydrophobicContact CG2-CE 3.73Å; I88-M92 WeakPolarHBondContact O-CG 3.3Å; I88-M92 PolarHBondContact O-N 3.07Å; I88-M92 VanDerWaalsContact O-N 3.13Å; T89-M92 WeakPolarHBondContact O-CB 3.45Å; T89-M92 PolarHBondContact O-N 3.41Å; M92-E94 VanDerWaalsContact C-N 3.32Å; M92-E94 PolarHBondContact O-N 2.73Å; M92-I95 PolarHBondContact O-N 3.13Å; M92-I95 VanDerWaalsContact O-N 3.11Å; M92-Q96 VanDerWaalsContact O-CG 3.28Å; M92-Q96 WeakPolarHBondContact O-CG 3.4Å; M92-Q96 PolarHBondContact O-N 2.9Å; M92-F103 HydrophobicContact CB-CB 4.24Å; M92-F103 HydrophobicContact CB-CD2 3.61Å; M92-F103 HydrophobicContact CB-CE2 4.11Å; M92-F103 HydrophobicContact CB-CG 3.94Å; M92-F103 HydrophobicContact CE-CD1 4.34Å; M92-F103 HydrophobicContact CG-CB 4.22Å; M92-F103 HydrophobicContact CG-CD1 4.06Å; M92-F103 HydrophobicContact CG-CD2 3.85Å; M92-F103 HydrophobicContact CG-CE1 4.4Å; M92-F103 HydrophobicContact CG-CE2 4.21Å; M92-F103 HydrophobicContact CG-CG 3.78Å; M92-F103 HydrophobicContact CG-CZ 4.47Å; M92-F103 HydrophobicContact SD-CB 3.95Å; M92-F103 HydrophobicContact SD-CD1 4.28Å; M92-F103 HydrophobicContact SD-CG 4.06Å; M92-I117 HydrophobicContact CE-CD1 3.14Å; M92-L152 HydrophobicContact CG-CD1 3.78Å
93	D	98.4	Very high	97.9	Very high	71 Å²	71	50.2 Å²	50.2	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-42.1	-178.9	-71.1	-24.4	0	0	0	111.8	T89 G90 I95 Q96 E97	T89-D93 PolarHBondContact O-N 3.2Å; G90-D93 PolarHBondContact O-N 3.29Å; D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 2.02Å; D93-Q96 PolarHBondContact O-N 2.95Å; D93-Q96 VanDerWaalsContact O-N 3.14Å; D93-Q96 PolarHBondContact OD1-NE2 2.67Å; D93-E97 WeakPolarHBondContact O-CB 3.46Å; D93-E97 VanDerWaalsContact O-CG 3.27Å; D93-E97 WeakPolarHBondContact O-CG 3.39Å; D93-E97 PolarHBondContact O-N 3.22Å
94	E	98.2	Very high	97.9	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-47.8	175	-178.4	-175.1	174	0	0	112.2	G90 M92 Q96 E97 K98 H145 V149 L238	G90-E94 PolarHBondContact O-N 3.27Å; G90-E94 VanDerWaalsContact O-N 3.1Å; M92-E94 VanDerWaalsContact C-N 3.32Å; M92-E94 PolarHBondContact O-N 2.73Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.11Å; E94-E97 PolarHBondContact O-N 2.95Å; E94-K98 HydrophobicContact CG-CD 3.89Å; E94-K98 WeakPolarHBondContact O-CB 3.43Å; E94-K98 WeakPolarHBondContact O-CG 3.1Å; E94-K98 PolarHBondContact O-N 3.09Å; E94-K98 VanDerWaalsContact O-N 3.17Å; E94-K98 IonicContact OE1-NZ 3.13Å; E94-K98 PolarHBondContact OE1-NZ 3.29Å; E94-H145 IonicContact OE2-CD2 3.62Å; E94-H145 PolarHBondContact OE2-CD2 2.88Å; E94-H145 IonicContact OE2-CE1 3.3Å; E94-H145 IonicContact OE2-NE2 3.44Å; E94-H145 PolarHBondContact OE2-NE2 2.89Å; E94-V149 WeakPolarHBondContact OE2-CG2 3.37Å; E94-L238 WeakPolarHBondContact OE1-CB 3.42Å; E94-L238 PolarHBondContact OE1-N 3.23Å
95	I	98.2	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-41.5	179.9	-64.1	167.7	0	0	0	109.7	M92 D93 T99 L101 F103 L152 L238	M92-I95 PolarHBondContact O-N 3.13Å; M92-I95 VanDerWaalsContact O-N 3.11Å; D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 2.02Å; I95-T99 VanDerWaalsContact O-CB 3.32Å; I95-T99 WeakPolarHBondContact O-CB 3Å; I95-T99 WeakPolarHBondContact O-CG2 2.77Å; I95-T99 PolarHBondContact O-N 3.49Å; I95-T99 PolarHBondContact O-OG1 3.26Å; I95-L101 HydrophobicContact CG2-CB 4.15Å; I95-L101 HydrophobicContact CG2-CD1 3.98Å; I95-F103 HydrophobicContact CB-CE2 3.95Å; I95-F103 HydrophobicContact CD1-CE2 4Å; I95-F103 HydrophobicContact CD1-CZ 4.03Å; I95-F103 HydrophobicContact CG2-CE2 3.9Å; I95-L152 HydrophobicContact CD1-CB 3.58Å; I95-L152 HydrophobicContact CD1-CD1 4Å; I95-L152 HydrophobicContact CD1-CG 4.47Å; I95-L238 HydrophobicContact CG1-CD1 4.05Å
96	Q	98.1	Very high	97.8	Very high	42 Å²	42	47 Å²	47	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-38.8	-179.7	-64.5	-179.6	137.6	0	0	113	M92 D93 E94 R102 F103	M92-Q96 VanDerWaalsContact O-CG 3.28Å; M92-Q96 WeakPolarHBondContact O-CG 3.4Å; M92-Q96 PolarHBondContact O-N 2.9Å; D93-Q96 PolarHBondContact O-N 2.95Å; D93-Q96 VanDerWaalsContact O-N 3.14Å; D93-Q96 PolarHBondContact OD1-NE2 2.67Å; E94-Q96 VanDerWaalsContact C-N 3.32Å; E94-Q96 PolarHBondContact O-N 3.11Å; Q96-R102 PolarHBondContact O-NH1 2.87Å; Q96-F103 HydrophobicContact CG-CD2 3.85Å; Q96-F103 PolarHBondContact OE1-O 3.29Å
97	E	97.4	Very high	97.7	Very high	159 Å²	159	44.3 Å²	44.3	74%	0.743	23%	0.225	S	C	*	.	H	α-helix	trans	-68	-39	179.2	-76	177.2	177.5	0	0	111.8	D93 E94	D93-E97 WeakPolarHBondContact O-CB 3.46Å; D93-E97 VanDerWaalsContact O-CG 3.27Å; D93-E97 WeakPolarHBondContact O-CG 3.39Å; D93-E97 PolarHBondContact O-N 3.22Å; E94-E97 PolarHBondContact O-N 2.95Å
98	K	97.2	Very high	97.2	Very high	92 Å²	92	45.6 Å²	45.6	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-91.9	-12.3	-174.3	-63	176.8	-175.9	176.8	0	113.5	E94 L238 V243 N247	E94-K98 HydrophobicContact CG-CD 3.89Å; E94-K98 WeakPolarHBondContact O-CB 3.43Å; E94-K98 WeakPolarHBondContact O-CG 3.1Å; E94-K98 PolarHBondContact O-N 3.09Å; E94-K98 VanDerWaalsContact O-N 3.17Å; E94-K98 IonicContact OE1-NZ 3.13Å; E94-K98 PolarHBondContact OE1-NZ 3.29Å; K98-L238 HydrophobicContact CD-CD1 4.45Å; K98-V243 HydrophobicContact CB-CG1 3.98Å; K98-V243 HydrophobicContact CB-CG2 3.78Å; K98-V243 HydrophobicContact CD-CG2 3.8Å; K98-V243 HydrophobicContact CG-CG2 4.34Å; K98-V243 VanDerWaalsContact O-CG1 3.23Å; K98-V243 WeakPolarHBondContact O-CG1 3.03Å; K98-N247 PolarHBondContact O-ND2 3.2Å; K98-N247 VanDerWaalsContact O-ND2 3.11Å
99	T	97.5	Very high	96.6	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	28%	0.278	C	S	.	.	S	Bend	trans	-136	178.2	-174.9	81	0	0	0	0	113.1	I95 L101 R102 V243 I246 N247	I95-T99 VanDerWaalsContact O-CB 3.32Å; I95-T99 WeakPolarHBondContact O-CB 3Å; I95-T99 WeakPolarHBondContact O-CG2 2.77Å; I95-T99 PolarHBondContact O-N 3.49Å; I95-T99 PolarHBondContact O-OG1 3.26Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 WeakPolarHBondContact OG1-CB 3.27Å; T99-L101 PolarHBondContact OG1-N 3.03Å; T99-L101 VanDerWaalsContact OG1-N 3.11Å; T99-R102 PolarHBondContact O-NH1 2.87Å; T99-V243 HydrophobicContact CG2-CG1 4.44Å; T99-I246 HydrophobicContact CG2-CB 4Å; T99-I246 HydrophobicContact CG2-CD1 4.32Å; T99-I246 HydrophobicContact CG2-CG2 3.68Å; T99-N247 WeakPolarHBondContact CA-OD1 3.32Å; T99-N247 WeakPolarHBondContact CB-OD1 2.95Å
100	C	96.7	Very high	96.2	Very high	40 Å²	40	58.7 Å²	58.7	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-87.1	0.6	170.2	70.7	0	0	0	0	114.2	N247 C252	C100-N247 PolarHBondContact N-OD1 2.81Å; C100-C252 HydrophobicContact CB-CB 3.5Å; C100-C252 WeakPolarHBondContact CB-SG 3.4Å; C100-C252 PolarHBondContact N-SG 3.24Å; C100-C252 WeakPolarHBondContact SG-CA 3.16Å; C100-C252 WeakPolarHBondContact SG-CB 3.23Å; C100-C252 CovalentContact SG-SG 2.02Å; C100-C252 PolarHBondContact SG-SG 3.04Å
101	L	97.9	Very high	95.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.			trans	-69.1	144.2	177.1	-65.6	-179	0	0	0	111.2	G70 I72 I95 T99 T156 I246 Y250	G70-L101 CarbonylContact O-C 3.53Å; G70-L101 VanDerWaalsContact O-CA 3.31Å; G70-L101 WeakPolarHBondContact O-CA 3.5Å; G70-L101 WeakPolarHBondContact O-CD2 3.31Å; I72-L101 HydrophobicContact CD1-CD1 4.16Å; I72-L101 HydrophobicContact CD1-CD2 4.39Å; I95-L101 HydrophobicContact CG2-CB 4.15Å; I95-L101 HydrophobicContact CG2-CD1 3.98Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 WeakPolarHBondContact OG1-CB 3.27Å; T99-L101 PolarHBondContact OG1-N 3.03Å; T99-L101 VanDerWaalsContact OG1-N 3.11Å; L101-T156 HydrophobicContact CD1-CG2 3.41Å; L101-T156 VanDerWaalsContact CD1-CG2 3.41Å; L101-I246 HydrophobicContact CD1-CG2 3.5Å; L101-I246 HydrophobicContact CG-CG2 3.96Å; L101-Y250 HydrophobicContact CD1-CD2 4.29Å; L101-Y250 HydrophobicContact CD1-CE2 4.2Å; L101-Y250 HydrophobicContact CD2-CD1 3.44Å; L101-Y250 VanDerWaalsContact CD2-CD1 3.44Å; L101-Y250 HydrophobicContact CD2-CD2 3.72Å; L101-Y250 HydrophobicContact CD2-CE1 3.62Å; L101-Y250 HydrophobicContact CD2-CE2 3.9Å; L101-Y250 HydrophobicContact CD2-CG 3.5Å; L101-Y250 VanDerWaalsContact CD2-CG 3.5Å; L101-Y250 HydrophobicContact CG-CD2 4.28Å; L101-Y250 HydrophobicContact CG-CG 4.36Å
102	R	97.9	Very high	95.5	Very high	97 Å²	97	65.2 Å²	65.2	37%	0.366	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.6	180	-61.3	-63.8	176.3	-102.5	8.5	109.8	G70 E71 I72 Q96 T99 I104	G70-R102 PolarHBondContact O-N 3.33Å; E71-R102 CarbonylContact C-O 3.51Å; E71-R102 WeakPolarHBondContact CA-O 3.47Å; I72-R102 PolarHBondContact N-O 3.21Å; Q96-R102 PolarHBondContact O-NH1 2.87Å; T99-R102 PolarHBondContact O-NH1 2.87Å; R102-I104 HydrophobicContact CB-CG2 4.31Å
103	F	98.4	Very high	95.2	Very high	11 Å²	11	67.1 Å²	67.1	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.5	169	-67.6	-85.8	0	0	0	108.3	I72 Y74 M92 I95 Q96 L115 L152	I72-F103 HydrophobicContact CB-CD1 3.86Å; I72-F103 HydrophobicContact CB-CE1 4.03Å; I72-F103 HydrophobicContact CD1-CE1 3.93Å; I72-F103 HydrophobicContact CD1-CZ 4Å; I72-F103 HydrophobicContact CG2-CD1 3.84Å; I72-F103 HydrophobicContact CG2-CE1 3.77Å; I72-F103 WeakPolarHBondContact O-CA 3.26Å; Y74-F103 HydrophobicContact CD1-CB 3.75Å; Y74-F103 HydrophobicContact CE1-CB 3.81Å; M92-F103 HydrophobicContact CB-CB 4.24Å; M92-F103 HydrophobicContact CB-CD2 3.61Å; M92-F103 HydrophobicContact CB-CE2 4.11Å; M92-F103 HydrophobicContact CB-CG 3.94Å; M92-F103 HydrophobicContact CE-CD1 4.34Å; M92-F103 HydrophobicContact CG-CB 4.22Å; M92-F103 HydrophobicContact CG-CD1 4.06Å; M92-F103 HydrophobicContact CG-CD2 3.85Å; M92-F103 HydrophobicContact CG-CE1 4.4Å; M92-F103 HydrophobicContact CG-CE2 4.21Å; M92-F103 HydrophobicContact CG-CG 3.78Å; M92-F103 HydrophobicContact CG-CZ 4.47Å; M92-F103 HydrophobicContact SD-CB 3.95Å; M92-F103 HydrophobicContact SD-CD1 4.28Å; M92-F103 HydrophobicContact SD-CG 4.06Å; I95-F103 HydrophobicContact CB-CE2 3.95Å; I95-F103 HydrophobicContact CD1-CE2 4Å; I95-F103 HydrophobicContact CD1-CZ 4.03Å; I95-F103 HydrophobicContact CG2-CE2 3.9Å; Q96-F103 HydrophobicContact CG-CD2 3.85Å; Q96-F103 PolarHBondContact OE1-O 3.29Å; F103-L115 HydrophobicContact CD1-CD1 4.46Å; F103-L115 HydrophobicContact CE1-CD1 3.95Å; F103-L152 HydrophobicContact CE1-CD1 4.48Å; F103-L152 HydrophobicContact CE1-CD2 3.93Å; F103-L152 HydrophobicContact CZ-CB 4.27Å; F103-L152 HydrophobicContact CZ-CD1 4.1Å; F103-L152 HydrophobicContact CZ-CD2 4.2Å; F103-L152 HydrophobicContact CZ-CG 4.43Å
104	I	97.5	Very high	95	Very high	41 Å²	41	65.5 Å²	65.5	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.5	-177.4	62.1	176.3	0	0	0	110.1	E71 I72 P73 Y74 R102 R106	E71-I104 HydrophobicContact CB-CD1 4.07Å; E71-I104 HydrophobicContact CG-CD1 4.47Å; I72-I104 PolarHBondContact O-N 2.92Å; P73-I104 CarbonylContact C-O 3.23Å; P73-I104 VanDerWaalsContact CA-O 3.24Å; P73-I104 WeakPolarHBondContact CA-O 3.19Å; P73-I104 HydrophobicContact CB-CG1 4.24Å; P73-I104 HydrophobicContact CG-CD1 4.3Å; P73-I104 HydrophobicContact CG-CG1 4.21Å; Y74-I104 VanDerWaalsContact CD1-C 3.49Å; Y74-I104 WeakPolarHBondContact CD1-O 3.34Å; Y74-I104 VanDerWaalsContact CE1-C 3.45Å; Y74-I104 PolarHBondContact N-O 2.94Å; R102-I104 HydrophobicContact CB-CG2 4.31Å; I104-R106 PolarHBondContact O-N 3.07Å
105	P	97.3	Very high	94.9	Very high	92 Å²	92	64.8 Å²	64.8	60%	0.597	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	131.3	170.4	-25.3	34.5	0	0	0	110	Y74 E107	Y74-P105 HydrophobicContact CE1-CG 4.41Å; P105-E107 PolarHBondContact O-N 3.24Å
106	R	96.5	Very high	94.9	Very high	51 Å²	51	67.6 Å²	67.6	19%	0.192	33%	0.325	C	S	.	.			trans	-66.4	132.9	-178.7	177.4	173.2	-179.7	-97.8	1.3	111.6	P73 Y74 I75 I104 S108 Q111 Y114	P73-R106 HydrophobicContact CB-CB 4.38Å; Y74-R106 WeakPolarHBondContact O-CB 3.48Å; Y74-R106 PolarHBondContact O-N 2.88Å; I75-R106 HydrophobicContact CD1-CB 4.27Å; I75-R106 HydrophobicContact CG1-CB 3.79Å; I104-R106 PolarHBondContact O-N 3.07Å; R106-S108 PolarHBondContact NH1-OG 3.02Å; R106-Q111 PolarHBondContact NE-O 3.42Å; R106-Q111 PolarHBondContact NH2-O 2.86Å; R106-Q111 VanDerWaalsContact NH2-O 3.14Å; R106-Y114 VanDerWaalsContact NE-CE1 3.28Å
107	E	94.1	Very high	94.8	Very high	95 Å²	95	65.6 Å²	65.6	44%	0.444	32%	0.316	S	S	.	.			trans	-103.3	110.3	163.2	-63.1	179.2	-107.8	0	0	109	P105 Q109 K110 Q111	P105-E107 PolarHBondContact O-N 3.24Å; E107-Q109 PolarHBondContact O-N 3.42Å; E107-K110 HydrophobicContact CB-CB 4.29Å; E107-K110 HydrophobicContact CB-CD 4.25Å; E107-K110 HydrophobicContact CB-CG 4.35Å; E107-K110 PolarHBondContact O-N 2.65Å; E107-K110 IonicContact OE1-NZ 2.62Å; E107-K110 PolarHBondContact OE1-NZ 2.71Å; E107-K110 WeakPolarHBondContact OE2-CE 3.41Å; E107-K110 IonicContact OE2-NZ 3.36Å; E107-K110 PolarHBondContact OE2-NZ 3.15Å; E107-Q111 PolarHBondContact O-N 3.36Å; E107-Q111 PolarHBondContact O-OE1 3.44Å
108	S	87.1	Confident	94.8	Very high	70 Å²	70	58.3 Å²	58.3	49%	0.49	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.2	-171.7	-60.4	0	0	0	0	115.7	R106	R106-S108 PolarHBondContact NH1-OG 3.02Å
109	Q	87.2	Confident	94.6	Very high	181 Å²	181	55.3 Å²	55.3	85%	0.846	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.9	179.5	-59	-59.9	-34.3	0	0	113.9	E107	E107-Q109 PolarHBondContact O-N 3.42Å
110	K	89.2	Confident	94.2	Very high	139 Å²	139	58 Å²	58	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-41.3	-175.6	-66.8	-179	-174.3	161.9	0	112.5	E107	E107-K110 HydrophobicContact CB-CB 4.29Å; E107-K110 HydrophobicContact CB-CD 4.25Å; E107-K110 HydrophobicContact CB-CG 4.35Å; E107-K110 PolarHBondContact O-N 2.65Å; E107-K110 IonicContact OE1-NZ 2.62Å; E107-K110 PolarHBondContact OE1-NZ 2.71Å; E107-K110 WeakPolarHBondContact OE2-CE 3.41Å; E107-K110 IonicContact OE2-NZ 3.36Å; E107-K110 PolarHBondContact OE2-NZ 3.15Å
111	Q	92.2	Very high	93.6	Very high	26 Å²	26	57.9 Å²	57.9	12%	0.121	28%	0.284	C	S	.	.			trans	-114.8	113.1	-172	-52.4	99	-4.5	0	0	112	P73 R106 E107	P73-Q111 HydrophobicContact CB-CB 3.8Å; P73-Q111 HydrophobicContact CB-CG 3.94Å; P73-Q111 HydrophobicContact CG-CB 3.63Å; P73-Q111 HydrophobicContact CG-CG 3.5Å; R106-Q111 PolarHBondContact NE-O 3.42Å; R106-Q111 PolarHBondContact NH2-O 2.86Å; R106-Q111 VanDerWaalsContact NH2-O 3.14Å; E107-Q111 PolarHBondContact O-N 3.36Å; E107-Q111 PolarHBondContact O-OE1 3.44Å
112	Q	90	Very high	92.9	Very high	134 Å²	134	58.4 Å²	58.4	63%	0.626	29%	0.29	S	S	*	.	S	Bend	trans	-78.4	-37.3	174	-63.4	-60.3	-26.9	0	0	111.7	Y114 G132	Q112-Y114 WeakPolarHBondContact O-CD1 3.07Å; Q112-G132 CarbonylContact O-C 3.58Å; Q112-G132 WeakPolarHBondContact O-CA 3.24Å
113	D	91.5	Very high	92.5	Very high	42 Å²	42	54 Å²	54	23%	0.225	27%	0.274	C	S	.	.	S	Bend	trans	-100.5	132.9	-179.8	-48	-33	0	0	0	110.1	W67 R129 G131 G132	W67-D113 HydrophobicContact CZ3-CB 4.06Å; D113-R129 HydrophobicContact CB-CG 4.28Å; D113-R129 IonicContact OD2-CZ 2.81Å; D113-R129 IonicContact OD2-NH1 2.76Å; D113-R129 PolarHBondContact OD2-NH1 3.08Å; D113-G131 VanDerWaalsContact OD1-CA 3.31Å; D113-G131 WeakPolarHBondContact OD1-CA 3.12Å; D113-G132 VanDerWaalsContact CA-O 3.29Å; D113-G132 WeakPolarHBondContact CA-O 3.44Å; D113-G132 PolarHBondContact OD1-N 3.15Å
114	Y	94.8	Very high	91.9	Very high	38 Å²	38	54.3 Å²	54.3	15%	0.149	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	157.2	-176.5	63.3	-82.6	0	0	0	112.5	P73 I75 R106 Q112 Y116 G132 A133 Q134	P73-Y114 CarbonylContact O-C 3.56Å; P73-Y114 WeakPolarHBondContact O-CA 3.48Å; P73-Y114 WeakPolarHBondContact O-CB 3.49Å; I75-Y114 HydrophobicContact CD1-CD2 4.25Å; I75-Y114 HydrophobicContact CD1-CE2 3.85Å; I75-Y114 HydrophobicContact CG1-CD2 4.27Å; I75-Y114 HydrophobicContact CG1-CE2 4.31Å; R106-Y114 VanDerWaalsContact NE-CE1 3.28Å; Q112-Y114 WeakPolarHBondContact O-CD1 3.07Å; Y114-Y116 HydrophobicContact CE2-CD2 4.18Å; Y114-G132 PolarHBondContact N-O 3.49Å; Y114-A133 HydrophobicContact CD1-CB 4.42Å; Y114-A133 HydrophobicContact CE1-CB 3.66Å; Y114-A133 HydrophobicContact CE2-CB 3.85Å; Y114-A133 WeakPolarHBondContact OH-CB 3.35Å; Y114-Q134 WeakPolarHBondContact O-CG 3.39Å; Y114-Q134 PolarHBondContact O-N 2.96Å
115	L	97.2	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.2	168.3	-56	-172.7	0	0	0	110.4	W67 I72 P73 Y74 I75 F103 I117 Q134 V136 L152 A155	W67-L115 HydrophobicContact CH2-CD2 4.05Å; W67-L115 HydrophobicContact CH2-CG 4.43Å; W67-L115 HydrophobicContact CZ2-CD2 3.53Å; W67-L115 HydrophobicContact CZ2-CG 4.15Å; I72-L115 HydrophobicContact CG2-CD1 3.54Å; I72-L115 HydrophobicContact CG2-CD2 4.48Å; I72-L115 HydrophobicContact CG2-CG 3.68Å; P73-L115 PolarHBondContact O-N 3.47Å; Y74-L115 CarbonylContact C-O 3.5Å; Y74-L115 VanDerWaalsContact CA-O 3.25Å; Y74-L115 WeakPolarHBondContact CA-O 3.4Å; I75-L115 PolarHBondContact N-O 3.22Å; F103-L115 HydrophobicContact CD1-CD1 4.46Å; F103-L115 HydrophobicContact CE1-CD1 3.95Å; L115-I117 HydrophobicContact CB-CG1 4.34Å; L115-Q134 CarbonylContact C-O 3.49Å; L115-Q134 WeakPolarHBondContact CA-O 3.25Å; L115-Q134 HydrophobicContact CD2-CG 3.47Å; L115-Q134 VanDerWaalsContact CD2-CG 3.47Å; L115-V136 HydrophobicContact CB-CG2 4.4Å; L115-V136 HydrophobicContact CD1-CG2 4.3Å; L115-V136 HydrophobicContact CD2-CG2 4.11Å; L115-L152 HydrophobicContact CD1-CD2 4Å; L115-A155 HydrophobicContact CD1-CB 4.15Å; L115-A155 HydrophobicContact CD2-CB 3.93Å
116	Y	96.5	Very high	90.9	Very high	60 Å²	60	49.8 Å²	49.8	24%	0.235	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	103.7	165.3	-167	-107.5	0	0	0	108.6	I75 Y114 E118 Q134 Q135 V136	I75-Y116 HydrophobicContact CB-CD2 3.85Å; I75-Y116 HydrophobicContact CB-CE2 4.17Å; I75-Y116 HydrophobicContact CG2-CD2 3.89Å; I75-Y116 HydrophobicContact CG2-CE2 3.66Å; Y114-Y116 HydrophobicContact CE2-CD2 4.18Å; Y116-E118 HydrophobicContact CD1-CB 4.05Å; Y116-E118 HydrophobicContact CD1-CG 3.82Å; Y116-E118 WeakPolarHBondContact CD1-OE1 3.39Å; Y116-E118 HydrophobicContact CE1-CB 3.78Å; Y116-E118 VanDerWaalsContact CE1-CD 3.42Å; Y116-E118 HydrophobicContact CE1-CG 3.9Å; Y116-E118 WeakPolarHBondContact CE1-OE2 3.42Å; Y116-Q134 PolarHBondContact N-O 3.11Å; Y116-Q135 WeakPolarHBondContact O-CA 3.38Å; Y116-V136 PolarHBondContact O-N 3.43Å
117	I	98	Very high	90.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117	-177.1	-52.2	179.4	0	0	0	107.5	I75 I76 S77 Y80 I88 M92 L115 V136 L138 L152	I75-I117 PolarHBondContact O-N 3.42Å; I76-I117 HydrophobicContact CG1-CD1 4.36Å; S77-I117 VanDerWaalsContact CB-O 3.24Å; S77-I117 WeakPolarHBondContact CB-O 3.48Å; S77-I117 PolarHBondContact N-O 3.29Å; Y80-I117 HydrophobicContact CE2-CG2 4.02Å; Y80-I117 WeakPolarHBondContact CE2-O 3.33Å; I88-I117 HydrophobicContact CD1-CG2 4.16Å; I88-I117 HydrophobicContact CG2-CD1 3.96Å; I88-I117 HydrophobicContact CG2-CG2 4.43Å; M92-I117 HydrophobicContact CE-CD1 3.14Å; L115-I117 HydrophobicContact CB-CG1 4.34Å; I117-V136 WeakPolarHBondContact CA-O 3.36Å; I117-V136 HydrophobicContact CG1-CB 4.21Å; I117-L138 HydrophobicContact CG2-CD1 3.59Å; I117-L138 HydrophobicContact CG2-CG 4.28Å; I117-L152 HydrophobicContact CD1-CD2 4.44Å
118	E	96.3	Very high	90.1	Very high	6 Å²	6	44 Å²	44	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152	-175	62.2	174.2	148.4	0	0	112	R24 Y80 Y116 V120 Q135 V136 S137 L138	R24-E118 IonicContact CZ-OE1 3.06Å; R24-E118 IonicContact CZ-OE2 3.24Å; R24-E118 IonicContact NH1-OE1 3.75Å; R24-E118 PolarHBondContact NH1-OE1 3.17Å; R24-E118 IonicContact NH1-OE2 3.78Å; R24-E118 PolarHBondContact NH1-OE2 3.14Å; R24-E118 IonicContact NH2-OE1 2.75Å; R24-E118 PolarHBondContact NH2-OE1 3.4Å; R24-E118 IonicContact NH2-OE2 3.42Å; R24-E118 PolarHBondContact NH2-OE2 3.09Å; R24-E118 VanDerWaalsContact NH2-OE2 3.16Å; Y80-E118 WeakPolarHBondContact OH-CA 3.49Å; Y80-E118 PolarHBondContact OH-O 3.25Å; Y116-E118 HydrophobicContact CD1-CB 4.05Å; Y116-E118 HydrophobicContact CD1-CG 3.82Å; Y116-E118 WeakPolarHBondContact CD1-OE1 3.39Å; Y116-E118 HydrophobicContact CE1-CB 3.78Å; Y116-E118 VanDerWaalsContact CE1-CD 3.42Å; Y116-E118 HydrophobicContact CE1-CG 3.9Å; Y116-E118 WeakPolarHBondContact CE1-OE2 3.42Å; E118-V120 HydrophobicContact CG-CG2 3.52Å; E118-V120 PolarHBondContact O-N 3.11Å; E118-Q135 HydrophobicContact CG-CG 4.21Å; E118-Q135 PolarHBondContact OE1-NE2 2.84Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 VanDerWaalsContact N-O 3.12Å; E118-S137 WeakPolarHBondContact O-CA 3.39Å; E118-L138 PolarHBondContact O-N 3.14Å; E118-L138 VanDerWaalsContact O-N 3.11Å
119	P	93.7	Very high	90.1	Very high	28 Å²	28	43 Å²	43	18%	0.182	21%	0.206	C	C	.	.			trans	-88.5	84.7	-179.7	32.9	-30.7	0	0	0	110.1	Q79 Y80	Q79-P119 HydrophobicContact CB-CG 3.8Å; Y80-P119 HydrophobicContact CD1-CG 4.41Å; Y80-P119 HydrophobicContact CE1-CB 3.79Å; Y80-P119 HydrophobicContact CE1-CG 3.94Å; Y80-P119 VanDerWaalsContact OH-N 3.15Å
120	V	89.1	Confident	89.9	Confident	67 Å²	67	38.2 Å²	38.2	41%	0.406	19%	0.185	S	C	.	.	S	Bend	trans	-88	-76.3	179.5	-174.4	0	0	0	0	111.1	E118 S137	E118-V120 HydrophobicContact CG-CG2 3.52Å; E118-V120 PolarHBondContact O-N 3.11Å; V120-S137 PolarHBondContact N-OG 3.39Å
121	D	83.6	Confident	89.3	Confident	37 Å²	37	32.7 Å²	32.7	20%	0.198	17%	0.168	C	C	.	.	S	Bend	trans	-154.5	140.2	174.9	55.5	-18.9	0	0	0	108.9	Q8 K26 Y124 S137	Q8-D121 PolarHBondContact OE1-OD2 2.9Å; K26-D121 IonicContact NZ-OD2 3.62Å; K26-D121 PolarHBondContact NZ-OD2 3.12Å; D121-Y124 WeakPolarHBondContact O-CD1 3.15Å; D121-Y124 WeakPolarHBondContact O-CE1 3.08Å; D121-Y124 WeakPolarHBondContact OD1-CE1 3.25Å; D121-Y124 PolarHBondContact OD1-OH 3.09Å; D121-S137 PolarHBondContact N-OG 2.77Å; D121-S137 PolarHBondContact O-OG 3.06Å
122	G	82.6	Confident	89	Confident	11 Å²	11	33 Å²	33	11%	0.113	18%	0.177	C	C	.	.	S	Bend	trans	54.5	-161.6	177.5	0	0	0	0	0	115	S137 A139 E141 C142	G122-S137 PolarHBondContact O-OG 2.79Å; G122-A139 PolarHBondContact O-N 3.15Å; G122-E141 WeakPolarHBondContact CA-OE1 3.35Å; G122-C142 PolarHBondContact O-SG 2.84Å
123	C	89.8	Confident	88.9	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.5	177.6	-37.6	0	0	0	0	107.6	C5 D33 S137 C142 V147 E151	C5-C123 HydrophobicContact CB-CB 4.42Å; C5-C123 VanDerWaalsContact SG-SG 3.63Å; D33-C123 VanDerWaalsContact CB-O 3.32Å; D33-C123 WeakPolarHBondContact CB-O 3.37Å; C123-S137 WeakPolarHBondContact CA-O 3.24Å; C123-C142 WeakPolarHBondContact CA-SG 3.42Å; C123-C142 HydrophobicContact CB-CB 3.92Å; C123-C142 WeakPolarHBondContact CB-SG 3.18Å; C123-C142 PolarHBondContact N-SG 2.79Å; C123-C142 VanDerWaalsContact N-SG 3.38Å; C123-C142 VanDerWaalsContact SG-CA 3.55Å; C123-C142 WeakPolarHBondContact SG-CB 3.16Å; C123-C142 CovalentContact SG-SG 2.02Å; C123-C142 PolarHBondContact SG-SG 2.78Å; C123-V147 HydrophobicContact CB-CG1 4.08Å; C123-E151 HydrophobicContact CB-CG 4.3Å
124	Y	87	Confident	88.8	Confident	18 Å²	18	27.4 Å²	27.4	7%	0.071	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	159.7	176	62.2	-104.6	0	0	0	113.3	L29 D33 A35 D121 Q135 S137 E151	L29-Y124 HydrophobicContact CD1-CD1 4.11Å; L29-Y124 HydrophobicContact CD1-CG 4.47Å; L29-Y124 HydrophobicContact CD2-CD1 4.06Å; L29-Y124 HydrophobicContact CD2-CD2 4.1Å; L29-Y124 HydrophobicContact CD2-CG 3.77Å; D33-Y124 CarbonylContact O-C 3.6Å; D33-Y124 WeakPolarHBondContact O-CA 3.46Å; D33-Y124 WeakPolarHBondContact O-CB 3.19Å; A35-Y124 HydrophobicContact CB-CD2 3.69Å; A35-Y124 HydrophobicContact CB-CE2 4.12Å; D121-Y124 WeakPolarHBondContact O-CD1 3.15Å; D121-Y124 WeakPolarHBondContact O-CE1 3.08Å; D121-Y124 WeakPolarHBondContact OD1-CE1 3.25Å; D121-Y124 PolarHBondContact OD1-OH 3.09Å; Y124-Q135 HydrophobicContact CE2-CG 4.33Å; Y124-Q135 VanDerWaalsContact CZ-OE1 3.28Å; Y124-Q135 PolarHBondContact OH-OE1 3.04Å; Y124-S137 PolarHBondContact N-O 2.83Å; Y124-S137 VanDerWaalsContact N-O 3.09Å; Y124-S137 PolarHBondContact O-N 3.29Å; Y124-E151 WeakPolarHBondContact CA-OE2 3.17Å
125	S	88.8	Confident	88.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.6	-178.9	-171.9	0	0	0	0	111.9	D33 V34 A35 E151	D33-S125 PolarHBondContact O-N 2.85Å; V34-S125 CarbonylContact C-O 3.49Å; V34-S125 WeakPolarHBondContact CA-O 3.17Å; A35-S125 PolarHBondContact N-O 2.68Å; S125-E151 WeakPolarHBondContact CB-O 3.08Å; S125-E151 WeakPolarHBondContact CB-OE2 3.03Å; S125-E151 PolarHBondContact N-OE2 3.46Å; S125-E151 PolarHBondContact OG-O 3.01Å
126	F	84.4	Confident	88.5	Confident	37 Å²	37	27.3 Å²	27.3	16%	0.162	16%	0.161	C	C	.	.			trans	-81.1	152.6	168.7	-70	-89.2	0	0	0	110.6	A27 A35 G128 I130 Q134 Q135 H154 A155	A27-F126 HydrophobicContact CB-CZ 4.44Å; A35-F126 HydrophobicContact CB-CD1 4.12Å; A35-F126 HydrophobicContact CB-CD2 4.09Å; A35-F126 HydrophobicContact CB-CE1 3.94Å; A35-F126 HydrophobicContact CB-CE2 3.9Å; A35-F126 HydrophobicContact CB-CG 4.2Å; A35-F126 HydrophobicContact CB-CZ 3.82Å; A35-F126 WeakPolarHBondContact O-CD1 3.41Å; A35-F126 WeakPolarHBondContact O-CE1 3.45Å; F126-G128 PolarHBondContact O-N 3.18Å; F126-I130 HydrophobicContact CB-CD1 4.45Å; F126-I130 HydrophobicContact CB-CG1 4.41Å; F126-I130 HydrophobicContact CB-CG2 3.93Å; F126-I130 HydrophobicContact CD1-CD1 3.72Å; F126-I130 HydrophobicContact CD1-CG1 4.46Å; F126-I130 HydrophobicContact CD1-CG2 4.12Å; F126-I130 HydrophobicContact CD2-CD1 3.94Å; F126-I130 HydrophobicContact CE1-CD1 3.84Å; F126-I130 HydrophobicContact CE2-CD1 4.06Å; F126-I130 HydrophobicContact CG-CD1 3.76Å; F126-I130 HydrophobicContact CG-CG1 4.25Å; F126-I130 HydrophobicContact CG-CG2 4.25Å; F126-I130 HydrophobicContact CZ-CD1 4.01Å; F126-Q134 HydrophobicContact CD2-CB 4.23Å; F126-Q135 HydrophobicContact CE2-CB 4.32Å; F126-H154 CarbonylContact O-C 3.57Å; F126-A155 VanDerWaalsContact O-CA 3.3Å; F126-A155 WeakPolarHBondContact O-CA 3.34Å; F126-A155 PolarHBondContact O-N 3.15Å
127	I	85.7	Confident	88.4	Confident	24 Å²	24	24.5 Å²	24.5	12%	0.123	15%	0.15	C	C	.	.	S	Bend	trans	-83.3	112.6	173.1	-60.3	159.2	0	0	0	110.1	V34 V60 H154 I159 Y194	V34-I127 HydrophobicContact CB-CD1 4.38Å; V34-I127 HydrophobicContact CG1-CD1 3.51Å; V34-I127 HydrophobicContact CG1-CG1 3.64Å; V34-I127 HydrophobicContact CG2-CD1 4.02Å; V34-I127 HydrophobicContact CG2-CG1 4.09Å; V60-I127 HydrophobicContact CG1-CG2 3.64Å; I127-H154 WeakPolarHBondContact CA-O 3.32Å; I127-I159 HydrophobicContact CD1-CG2 3.5Å; I127-I159 VanDerWaalsContact CD1-CG2 3.5Å; I127-I159 HydrophobicContact CG1-CG2 4.45Å; I127-Y194 HydrophobicContact CG2-CE1 4.23Å
128	G	87.9	Confident	88.3	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	77.1	-165.3	178.1	0	0	0	0	0	113.6	Y65 F126 Q134 H154 A155	Y65-G128 CarbonylContact O-C 3.48Å; Y65-G128 WeakPolarHBondContact O-CA 3.32Å; F126-G128 PolarHBondContact O-N 3.18Å; G128-Q134 PolarHBondContact O-NE2 2.94Å; G128-Q134 PolarHBondContact O-OE1 2.85Å; G128-H154 PolarHBondContact N-O 2.97Å; G128-A155 CarbonylContact C-O 3.57Å; G128-A155 VanDerWaalsContact C-O 3.28Å; G128-A155 WeakPolarHBondContact CA-O 3.32Å
129	R	87.6	Confident	88.1	Confident	51 Å²	51	24.7 Å²	24.7	19%	0.192	15%	0.153	C	C	.	.			trans	-84.3	113.6	174.7	-174.6	-178.1	65.3	89.3	5.8	110	E64 Y65 R66 W67 D113	E64-R129 VanDerWaalsContact O-CZ 3.31Å; E64-R129 PolarHBondContact O-NE 2.83Å; E64-R129 PolarHBondContact O-NH2 2.95Å; Y65-R129 WeakPolarHBondContact CD1-O 3.21Å; Y65-R129 PolarHBondContact O-N 3.4Å; R66-R129 PolarHBondContact O-NE 2.8Å; R66-R129 VanDerWaalsContact O-NE 3.15Å; W67-R129 HydrophobicContact CD2-CB 3.94Å; W67-R129 HydrophobicContact CD2-CG 4.08Å; W67-R129 HydrophobicContact CE3-CB 4.35Å; W67-R129 HydrophobicContact CE3-CG 3.96Å; W67-R129 HydrophobicContact CG-CB 4.29Å; W67-R129 HydrophobicContact CH2-CG 4.05Å; W67-R129 HydrophobicContact CZ2-CB 4.16Å; W67-R129 HydrophobicContact CZ2-CG 4.17Å; W67-R129 HydrophobicContact CZ3-CG 3.94Å; D113-R129 HydrophobicContact CB-CG 4.28Å; D113-R129 IonicContact OD2-CZ 2.81Å; D113-R129 IonicContact OD2-NH1 2.76Å; D113-R129 PolarHBondContact OD2-NH1 3.08Å
130	I	81.7	Confident	88	Confident	79 Å²	79	28.4 Å²	28.4	41%	0.405	17%	0.171	S	C	.	.			trans	-96.1	-11.2	178.2	60.9	151.5	0	0	0	113.7	F126 Q134	F126-I130 HydrophobicContact CB-CD1 4.45Å; F126-I130 HydrophobicContact CB-CG1 4.41Å; F126-I130 HydrophobicContact CB-CG2 3.93Å; F126-I130 HydrophobicContact CD1-CD1 3.72Å; F126-I130 HydrophobicContact CD1-CG1 4.46Å; F126-I130 HydrophobicContact CD1-CG2 4.12Å; F126-I130 HydrophobicContact CD2-CD1 3.94Å; F126-I130 HydrophobicContact CE1-CD1 3.84Å; F126-I130 HydrophobicContact CE2-CD1 4.06Å; F126-I130 HydrophobicContact CG-CD1 3.76Å; F126-I130 HydrophobicContact CG-CG1 4.25Å; F126-I130 HydrophobicContact CG-CG2 4.25Å; F126-I130 HydrophobicContact CZ-CD1 4.01Å; I130-Q134 HydrophobicContact CD1-CB 3.72Å; I130-Q134 HydrophobicContact CG1-CB 3.49Å; I130-Q134 VanDerWaalsContact CG1-CB 3.49Å; I130-Q134 HydrophobicContact CG1-CG 4.33Å; I130-Q134 VanDerWaalsContact CG1-OE1 3.27Å
131	G	77.7	Confident	87.9	Confident	24 Å²	24	29.8 Å²	29.8	25%	0.247	17%	0.173	C	C	.	.	S	Bend	trans	92.9	154.5	-176.2	0	0	0	0	0	113.4	D113	D113-G131 VanDerWaalsContact OD1-CA 3.31Å; D113-G131 WeakPolarHBondContact OD1-CA 3.12Å
132	G	85.6	Confident	88.3	Confident	31 Å²	31	28 Å²	28	32%	0.32	16%	0.164	S	C	.	.	S	Bend	trans	61.2	-158.2	-175.6	0	0	0	0	0	113.7	Q112 D113 Y114 Q134	Q112-G132 CarbonylContact O-C 3.58Å; Q112-G132 WeakPolarHBondContact O-CA 3.24Å; D113-G132 VanDerWaalsContact CA-O 3.29Å; D113-G132 WeakPolarHBondContact CA-O 3.44Å; D113-G132 PolarHBondContact OD1-N 3.15Å; Y114-G132 PolarHBondContact N-O 3.49Å; G132-Q134 PolarHBondContact O-N 3.45Å
133	A	88.4	Confident	88.9	Confident	59 Å²	59	28.5 Å²	28.5	49%	0.488	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.3	170	0	0	0	0	0	109.4	Y114	Y114-A133 HydrophobicContact CD1-CB 4.42Å; Y114-A133 HydrophobicContact CE1-CB 3.66Å; Y114-A133 HydrophobicContact CE2-CB 3.85Å; Y114-A133 WeakPolarHBondContact OH-CB 3.35Å
134	Q	89	Confident	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.7	175.2	71.9	178.1	55.1	0	0	111	W67 Y114 L115 Y116 F126 G128 I130 G132	W67-Q134 HydrophobicContact CH2-CG 4.37Å; W67-Q134 HydrophobicContact CZ2-CG 4.33Å; Y114-Q134 WeakPolarHBondContact O-CG 3.39Å; Y114-Q134 PolarHBondContact O-N 2.96Å; L115-Q134 CarbonylContact C-O 3.49Å; L115-Q134 WeakPolarHBondContact CA-O 3.25Å; L115-Q134 HydrophobicContact CD2-CG 3.47Å; L115-Q134 VanDerWaalsContact CD2-CG 3.47Å; Y116-Q134 PolarHBondContact N-O 3.11Å; F126-Q134 HydrophobicContact CD2-CB 4.23Å; G128-Q134 PolarHBondContact O-NE2 2.94Å; G128-Q134 PolarHBondContact O-OE1 2.85Å; I130-Q134 HydrophobicContact CD1-CB 3.72Å; I130-Q134 HydrophobicContact CG1-CB 3.49Å; I130-Q134 VanDerWaalsContact CG1-CB 3.49Å; I130-Q134 HydrophobicContact CG1-CG 4.33Å; I130-Q134 VanDerWaalsContact CG1-OE1 3.27Å; G132-Q134 PolarHBondContact O-N 3.45Å
135	Q	90	Very high	89.5	Confident	37 Å²	37	33.3 Å²	33.3	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.8	-174.8	-175.2	176.8	68.8	0	0	111.6	Y116 E118 Y124 F126	Y116-Q135 WeakPolarHBondContact O-CA 3.38Å; E118-Q135 HydrophobicContact CG-CG 4.21Å; E118-Q135 PolarHBondContact OE1-NE2 2.84Å; Y124-Q135 HydrophobicContact CE2-CG 4.33Å; Y124-Q135 VanDerWaalsContact CZ-OE1 3.28Å; Y124-Q135 PolarHBondContact OH-OE1 3.04Å; F126-Q135 HydrophobicContact CE2-CB 4.32Å
136	V	95.3	Very high	89.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.4	157.9	-177	0	0	0	0	106.3	L115 Y116 I117 E118 L138 E151	L115-V136 HydrophobicContact CB-CG2 4.4Å; L115-V136 HydrophobicContact CD1-CG2 4.3Å; L115-V136 HydrophobicContact CD2-CG2 4.11Å; Y116-V136 PolarHBondContact O-N 3.43Å; I117-V136 WeakPolarHBondContact CA-O 3.36Å; I117-V136 HydrophobicContact CG1-CB 4.21Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 VanDerWaalsContact N-O 3.12Å; V136-L138 HydrophobicContact CG1-CD1 4.42Å; V136-L138 HydrophobicContact CG1-CD2 4.32Å; V136-L138 HydrophobicContact CG1-CG 4.14Å; V136-E151 HydrophobicContact CG1-CB 3.94Å
137	S	94.6	Very high	90.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.3	179.5	-172.5	0	0	0	0	109.2	E118 V120 D121 G122 C123 Y124	E118-S137 WeakPolarHBondContact O-CA 3.39Å; V120-S137 PolarHBondContact N-OG 3.39Å; D121-S137 PolarHBondContact N-OG 2.77Å; D121-S137 PolarHBondContact O-OG 3.06Å; G122-S137 PolarHBondContact O-OG 2.79Å; C123-S137 WeakPolarHBondContact CA-O 3.24Å; Y124-S137 PolarHBondContact N-O 2.83Å; Y124-S137 VanDerWaalsContact N-O 3.09Å; Y124-S137 PolarHBondContact O-N 3.29Å
138	L	95.1	Very high	90.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	87.3	173.4	-55.3	168.6	0	0	0	108.5	Y80 I88 I117 E118 V136 C142 M143 I148 E151	Y80-L138 WeakPolarHBondContact CE1-O 3.28Å; Y80-L138 WeakPolarHBondContact OH-CB 3.41Å; Y80-L138 PolarHBondContact OH-O 3.34Å; I88-L138 HydrophobicContact CD1-CD1 4.41Å; I88-L138 HydrophobicContact CG1-CD1 4.08Å; I117-L138 HydrophobicContact CG2-CD1 3.59Å; I117-L138 HydrophobicContact CG2-CG 4.28Å; E118-L138 PolarHBondContact O-N 3.14Å; E118-L138 VanDerWaalsContact O-N 3.11Å; V136-L138 HydrophobicContact CG1-CD1 4.42Å; V136-L138 HydrophobicContact CG1-CD2 4.32Å; V136-L138 HydrophobicContact CG1-CG 4.14Å; L138-C142 HydrophobicContact CB-CB 3.98Å; L138-C142 HydrophobicContact CD2-CB 3.99Å; L138-M143 HydrophobicContact CB-CE 3.5Å; L138-M143 WeakPolarHBondContact O-CE 3.28Å; L138-I148 HydrophobicContact CD1-CB 4.47Å; L138-I148 HydrophobicContact CD1-CD1 4.37Å; L138-I148 HydrophobicContact CD1-CG1 4.07Å; L138-I148 HydrophobicContact CD1-CG2 3.85Å; L138-I148 HydrophobicContact CD2-CG1 4.27Å; L138-E151 HydrophobicContact CD2-CB 4.09Å; L138-E151 HydrophobicContact CD2-CG 3.74Å
139	A	93.2	Very high	91.4	Very high	11 Å²	11	30.5 Å²	30.5	9%	0.091	17%	0.172	C	C	.	.			trans	-67.8	176.5	170.8	0	0	0	0	0	111.9	G122 E141 C142 M143	G122-A139 PolarHBondContact O-N 3.15Å; A139-E141 VanDerWaalsContact CB-OE2 3.26Å; A139-E141 WeakPolarHBondContact CB-OE2 3.47Å; A139-E141 PolarHBondContact O-N 3.44Å; A139-C142 PolarHBondContact N-SG 3.5Å; A139-C142 VanDerWaalsContact N-SG 3.41Å; A139-C142 WeakPolarHBondContact O-CA 3.34Å; A139-C142 VanDerWaalsContact O-CB 3.23Å; A139-C142 WeakPolarHBondContact O-CB 3.32Å; A139-C142 PolarHBondContact O-N 2.7Å; A139-M143 WeakPolarHBondContact O-CE 3.49Å
140	D	91.1	Very high	91.9	Very high	106 Å²	106	28 Å²	28	57%	0.567	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-55.3	-37.1	-175.2	-68.4	-3.8	0	0	0	112.7	Y84 C142 M143	Y84-D140 WeakPolarHBondContact CE2-OD1 3.42Å; D140-C142 PolarHBondContact O-N 2.98Å; D140-M143 WeakPolarHBondContact O-CB 3.38Å; D140-M143 WeakPolarHBondContact O-CG 2.95Å; D140-M143 PolarHBondContact O-N 3.14Å
141	E	86.8	Confident	92.6	Very high	96 Å²	96	24.3 Å²	24.3	45%	0.449	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-67.1	-13.9	176.8	67	-91.1	-147.1	0	0	114.3	G122 A139	G122-E141 WeakPolarHBondContact CA-OE1 3.35Å; A139-E141 VanDerWaalsContact CB-OE2 3.26Å; A139-E141 WeakPolarHBondContact CB-OE2 3.47Å; A139-E141 PolarHBondContact O-N 3.44Å
142	C	92.8	Very high	93.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-93.7	-1.6	-178.7	-46.3	0	0	0	0	112.9	G122 C123 L138 A139 D140 E144 V147 I148	G122-C142 PolarHBondContact O-SG 2.84Å; C123-C142 WeakPolarHBondContact CA-SG 3.42Å; C123-C142 HydrophobicContact CB-CB 3.92Å; C123-C142 WeakPolarHBondContact CB-SG 3.18Å; C123-C142 PolarHBondContact N-SG 2.79Å; C123-C142 VanDerWaalsContact N-SG 3.38Å; C123-C142 VanDerWaalsContact SG-CA 3.55Å; C123-C142 WeakPolarHBondContact SG-CB 3.16Å; C123-C142 CovalentContact SG-SG 2.02Å; C123-C142 PolarHBondContact SG-SG 2.78Å; L138-C142 HydrophobicContact CB-CB 3.98Å; L138-C142 HydrophobicContact CD2-CB 3.99Å; A139-C142 PolarHBondContact N-SG 3.5Å; A139-C142 VanDerWaalsContact N-SG 3.41Å; A139-C142 WeakPolarHBondContact O-CA 3.34Å; A139-C142 VanDerWaalsContact O-CB 3.23Å; A139-C142 WeakPolarHBondContact O-CB 3.32Å; A139-C142 PolarHBondContact O-N 2.7Å; D140-C142 PolarHBondContact O-N 2.98Å; C142-E144 PolarHBondContact O-N 3.11Å; C142-V147 HydrophobicContact CB-CG1 4.06Å; C142-I148 WeakPolarHBondContact O-CG1 3.31Å
143	M	95.6	Very high	94.1	Very high	21 Å²	21	21.7 Å²	21.7	10%	0.103	12%	0.117	C	C	.	.			trans	-75.7	48.9	-176	-63.3	-60.2	127	0	0	112.8	Y80 Y84 I87 L138 A139 D140	Y80-M143 HydrophobicContact CE1-CE 3.72Å; Y84-M143 HydrophobicContact CD1-CB 4.24Å; Y84-M143 HydrophobicContact CD1-CG 3.76Å; Y84-M143 HydrophobicContact CD1-SD 4.01Å; Y84-M143 HydrophobicContact CD2-CG 3.8Å; Y84-M143 HydrophobicContact CD2-SD 3.83Å; Y84-M143 HydrophobicContact CE1-CB 4.05Å; Y84-M143 HydrophobicContact CE1-CG 3.7Å; Y84-M143 HydrophobicContact CE2-CG 3.76Å; Y84-M143 HydrophobicContact CE2-SD 4.39Å; Y84-M143 HydrophobicContact CG-CG 3.8Å; Y84-M143 HydrophobicContact CG-SD 3.6Å; I87-M143 HydrophobicContact CD1-CB 4.25Å; L138-M143 HydrophobicContact CB-CE 3.5Å; L138-M143 WeakPolarHBondContact O-CE 3.28Å; A139-M143 WeakPolarHBondContact O-CE 3.49Å; D140-M143 WeakPolarHBondContact O-CB 3.38Å; D140-M143 WeakPolarHBondContact O-CG 2.95Å; D140-M143 PolarHBondContact O-N 3.14Å
144	E	93.4	Very high	94.4	Very high	55 Å²	55	18.9 Å²	18.9	26%	0.257	9%	0.094	S	C	.	.	S	Bend	trans	-125.6	133.2	173.5	-63.5	-163.2	172.3	0	0	110.1	I3 C142 G146 V147 I148	I3-E144 WeakPolarHBondContact CD1-OE1 2.83Å; I3-E144 WeakPolarHBondContact CD1-OE2 3.25Å; I3-E144 WeakPolarHBondContact CG1-OE1 3.15Å; I3-E144 WeakPolarHBondContact CG1-OE2 3.09Å; C142-E144 PolarHBondContact O-N 3.11Å; E144-G146 PolarHBondContact O-N 3.35Å; E144-V147 HydrophobicContact CB-CB 4.33Å; E144-V147 HydrophobicContact CB-CG2 4.07Å; E144-V147 WeakPolarHBondContact O-CB 3.4Å; E144-V147 PolarHBondContact O-N 2.75Å; E144-I148 WeakPolarHBondContact O-CG1 3.23Å; E144-I148 PolarHBondContact O-N 2.65Å
145	H	95.5	Very high	94.7	Very high	69 Å²	69	18.9 Å²	18.9	32%	0.319	9%	0.094	S	C	.	.	H	α-helix	trans	-48.6	-52.8	-171.6	-176.2	96.3	0	0	0	113.4	G90 E94 V147 I148 V149	G90-H145 PolarHBondContact O-CE1 3.2Å; G90-H145 VanDerWaalsContact O-CE1 3.3Å; E94-H145 IonicContact OE2-CD2 3.62Å; E94-H145 PolarHBondContact OE2-CD2 2.88Å; E94-H145 IonicContact OE2-CE1 3.3Å; E94-H145 IonicContact OE2-NE2 3.44Å; E94-H145 PolarHBondContact OE2-NE2 2.89Å; H145-V147 VanDerWaalsContact C-N 3.34Å; H145-V147 PolarHBondContact O-N 3.38Å; H145-I148 PolarHBondContact O-N 3.03Å; H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 3.33Å
146	G	96.1	Very high	95	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-72.8	-22.2	-178.1	0	0	0	0	0	114.9	E144 H150 V206 R235	E144-G146 PolarHBondContact O-N 3.35Å; G146-H150 WeakPolarHBondContact O-CB 3.31Å; G146-H150 PolarHBondContact O-N 2.57Å; G146-V206 WeakPolarHBondContact O-CG2 3.4Å; G146-R235 VanDerWaalsContact CA-O 3.24Å; G146-R235 WeakPolarHBondContact CA-O 3.47Å; G146-R235 PolarHBondContact N-O 3.5Å
147	V	94.5	Very high	94.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69	-46.1	170.3	174.3	0	0	0	0	109.5	I3 C5 C123 C142 E144 H145 V149 H150 E151 R235	I3-V147 HydrophobicContact CG2-CG2 3.64Å; C5-V147 VanDerWaalsContact SG-CG1 3.58Å; C123-V147 HydrophobicContact CB-CG1 4.08Å; C142-V147 HydrophobicContact CB-CG1 4.06Å; E144-V147 HydrophobicContact CB-CB 4.33Å; E144-V147 HydrophobicContact CB-CG2 4.07Å; E144-V147 WeakPolarHBondContact O-CB 3.4Å; E144-V147 PolarHBondContact O-N 2.75Å; H145-V147 VanDerWaalsContact C-N 3.34Å; H145-V147 PolarHBondContact O-N 3.38Å; V147-V149 VanDerWaalsContact C-N 3.32Å; V147-V149 PolarHBondContact O-N 3.25Å; V147-H150 WeakPolarHBondContact O-CB 3.48Å; V147-H150 PolarHBondContact O-N 3.5Å; V147-H150 VanDerWaalsContact O-N 3.1Å; V147-E151 PolarHBondContact O-N 3.48Å; V147-E151 VanDerWaalsContact O-N 3.08Å; V147-R235 HydrophobicContact CG2-CG 4.41Å
148	I	97.9	Very high	94.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.9	-55.2	179.2	0	0	0	110.7	I87 I88 A91 L138 C142 E144 H145 H150 E151 L152	I87-I148 HydrophobicContact CB-CD1 4.34Å; I87-I148 HydrophobicContact CG2-CD1 3.67Å; I88-I148 HydrophobicContact CB-CD1 4.48Å; I88-I148 HydrophobicContact CG1-CD1 3.84Å; A91-I148 HydrophobicContact CB-CB 3.66Å; A91-I148 HydrophobicContact CB-CG2 3.48Å; A91-I148 VanDerWaalsContact CB-CG2 3.48Å; L138-I148 HydrophobicContact CD1-CB 4.47Å; L138-I148 HydrophobicContact CD1-CD1 4.37Å; L138-I148 HydrophobicContact CD1-CG1 4.07Å; L138-I148 HydrophobicContact CD1-CG2 3.85Å; L138-I148 HydrophobicContact CD2-CG1 4.27Å; C142-I148 WeakPolarHBondContact O-CG1 3.31Å; E144-I148 WeakPolarHBondContact O-CG1 3.23Å; E144-I148 PolarHBondContact O-N 2.65Å; H145-I148 PolarHBondContact O-N 3.03Å; I148-H150 VanDerWaalsContact C-N 3.27Å; I148-H150 PolarHBondContact O-N 3.49Å; I148-E151 PolarHBondContact O-N 2.81Å; I148-L152 HydrophobicContact CG2-CD1 3.91Å; I148-L152 HydrophobicContact CG2-CG 4.14Å; I148-L152 WeakPolarHBondContact O-CB 3.32Å; I148-L152 VanDerWaalsContact O-CG 3.25Å; I148-L152 WeakPolarHBondContact O-CG 3.23Å; I148-L152 PolarHBondContact O-N 3.06Å
149	V	98.3	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-38.8	174	170.8	0	0	0	0	111.7	A91 E94 H145 V147 M153 V206 L238	A91-V149 HydrophobicContact CB-CG2 3.77Å; E94-V149 WeakPolarHBondContact OE2-CG2 3.37Å; H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 3.33Å; V147-V149 VanDerWaalsContact C-N 3.32Å; V147-V149 PolarHBondContact O-N 3.25Å; V149-M153 VanDerWaalsContact O-CB 3.23Å; V149-M153 WeakPolarHBondContact O-CB 3.26Å; V149-M153 PolarHBondContact O-N 3.02Å; V149-V206 HydrophobicContact CG1-CG1 4.32Å; V149-V206 HydrophobicContact CG1-CG2 4.44Å; V149-L238 HydrophobicContact CG1-CD2 3.61Å; V149-L238 HydrophobicContact CG1-CG 3.7Å
150	H	97.3	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-52.9	175.1	-173.8	101.2	0	0	0	111.6	D33 G146 V147 I148 L152 M153 H154 H160 V206	D33-H150 IonicContact OD2-NE2 3.79Å; D33-H150 PolarHBondContact OD2-NE2 3.37Å; G146-H150 WeakPolarHBondContact O-CB 3.31Å; G146-H150 PolarHBondContact O-N 2.57Å; V147-H150 WeakPolarHBondContact O-CB 3.48Å; V147-H150 PolarHBondContact O-N 3.5Å; V147-H150 VanDerWaalsContact O-N 3.1Å; I148-H150 VanDerWaalsContact C-N 3.27Å; I148-H150 PolarHBondContact O-N 3.49Å; H150-L152 VanDerWaalsContact C-N 3.34Å; H150-L152 PolarHBondContact O-N 3.11Å; H150-M153 PolarHBondContact O-N 3.14Å; H150-M153 VanDerWaalsContact O-N 3.11Å; H150-H154 AromaticContact CD2-CD2 3.59Å; H150-H154 AromaticContact CD2-NE2 3.55Å; H150-H154 AromaticContact NE2-CD2 3.74Å; H150-H154 AromaticContact NE2-NE2 3.15Å; H150-H154 PolarHBondContact NE2-NE2 3.38Å; H150-H154 VanDerWaalsContact NE2-NE2 3.15Å; H150-H154 PolarHBondContact O-N 3.24Å; H150-H160 AromaticContact CE1-CD2 3.58Å; H150-H160 AromaticContact CE1-NE2 3.89Å; H150-H160 AromaticContact NE2-CD2 3.51Å; H150-H160 AromaticContact NE2-NE2 3.34Å; H150-H160 PolarHBondContact NE2-NE2 3.28Å; H150-V206 HydrophobicContact CB-CG2 4.21Å; H150-V206 PolarHBondContact CE1-O 3.15Å; H150-V206 PolarHBondContact ND1-O 3.19Å
151	E	97.1	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65	-37.8	-179.3	-60.1	-46.4	143.9	0	0	112.6	C123 Y124 S125 V136 L138 V147 I148 H154 A155	C123-E151 HydrophobicContact CB-CG 4.3Å; Y124-E151 WeakPolarHBondContact CA-OE2 3.17Å; S125-E151 WeakPolarHBondContact CB-O 3.08Å; S125-E151 WeakPolarHBondContact CB-OE2 3.03Å; S125-E151 PolarHBondContact N-OE2 3.46Å; S125-E151 PolarHBondContact OG-O 3.01Å; V136-E151 HydrophobicContact CG1-CB 3.94Å; L138-E151 HydrophobicContact CD2-CB 4.09Å; L138-E151 HydrophobicContact CD2-CG 3.74Å; V147-E151 PolarHBondContact O-N 3.48Å; V147-E151 VanDerWaalsContact O-N 3.08Å; I148-E151 PolarHBondContact O-N 2.81Å; E151-H154 WeakPolarHBondContact O-CB 3.48Å; E151-H154 PolarHBondContact O-N 2.89Å; E151-H154 IonicContact OE2-CD2 2.93Å; E151-A155 PolarHBondContact O-N 3.12Å; E151-A155 VanDerWaalsContact O-N 3.15Å
152	L	98	Very high	94.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.8	-38.6	173.3	-68.5	179.2	0	0	0	111	A91 M92 I95 F103 L115 I117 I148 H150 A155 T156	A91-L152 HydrophobicContact CB-CD1 4.25Å; M92-L152 HydrophobicContact CG-CD1 3.78Å; I95-L152 HydrophobicContact CD1-CB 3.58Å; I95-L152 HydrophobicContact CD1-CD1 4Å; I95-L152 HydrophobicContact CD1-CG 4.47Å; F103-L152 HydrophobicContact CE1-CD1 4.48Å; F103-L152 HydrophobicContact CE1-CD2 3.93Å; F103-L152 HydrophobicContact CZ-CB 4.27Å; F103-L152 HydrophobicContact CZ-CD1 4.1Å; F103-L152 HydrophobicContact CZ-CD2 4.2Å; F103-L152 HydrophobicContact CZ-CG 4.43Å; L115-L152 HydrophobicContact CD1-CD2 4Å; I117-L152 HydrophobicContact CD1-CD2 4.44Å; I148-L152 HydrophobicContact CG2-CD1 3.91Å; I148-L152 HydrophobicContact CG2-CG 4.14Å; I148-L152 WeakPolarHBondContact O-CB 3.32Å; I148-L152 VanDerWaalsContact O-CG 3.25Å; I148-L152 WeakPolarHBondContact O-CG 3.23Å; I148-L152 PolarHBondContact O-N 3.06Å; H150-L152 VanDerWaalsContact C-N 3.34Å; H150-L152 PolarHBondContact O-N 3.11Å; L152-A155 CarbonylContact O-C 3.56Å; L152-A155 WeakPolarHBondContact O-CA 2.9Å; L152-A155 WeakPolarHBondContact O-CB 3.35Å; L152-A155 PolarHBondContact O-N 3.04Å; L152-A155 VanDerWaalsContact O-N 3.08Å; L152-T156 WeakPolarHBondContact O-CG2 3.01Å; L152-T156 PolarHBondContact O-N 2.94Å
153	M	97.1	Very high	94.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-67.1	-35.1	176.9	-176.5	167.5	176.3	0	0	112.2	V149 H150 A155 T156 G157 F158 V206 M207 L238 D242 I246	V149-M153 VanDerWaalsContact O-CB 3.23Å; V149-M153 WeakPolarHBondContact O-CB 3.26Å; V149-M153 PolarHBondContact O-N 3.02Å; H150-M153 PolarHBondContact O-N 3.14Å; H150-M153 VanDerWaalsContact O-N 3.11Å; M153-A155 VanDerWaalsContact C-N 3.34Å; M153-A155 PolarHBondContact O-N 3.41Å; M153-T156 PolarHBondContact O-N 2.88Å; M153-T156 VanDerWaalsContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 3.18Å; M153-G157 PolarHBondContact O-N 3.36Å; M153-F158 HydrophobicContact CE-CB 3.97Å; M153-F158 HydrophobicContact CE-CD1 3.85Å; M153-F158 HydrophobicContact CE-CD2 3.75Å; M153-F158 HydrophobicContact CE-CE1 4.32Å; M153-F158 HydrophobicContact CE-CE2 4.23Å; M153-F158 HydrophobicContact CE-CG 3.54Å; M153-F158 HydrophobicContact CE-CZ 4.5Å; M153-F158 HydrophobicContact CG-CB 4.06Å; M153-F158 HydrophobicContact CG-CD2 3.88Å; M153-F158 HydrophobicContact CG-CG 4.18Å; M153-F158 PolarHBondContact O-N 3.19Å; M153-V206 HydrophobicContact SD-CG1 3.74Å; M153-M207 HydrophobicContact CB-SD 3.63Å; M153-M207 HydrophobicContact CE-CG 3.69Å; M153-M207 HydrophobicContact CG-CG 3.97Å; M153-M207 HydrophobicContact CG-SD 3.61Å; M153-M207 HydrophobicContact SD-CG 3.47Å; M153-M207 WeakPolarHBondContact SD-CG 3.47Å; M153-M207 HydrophobicContact SD-SD 3.69Å; M153-M207 VanDerWaalsContact SD-SD 3.69Å; M153-L238 HydrophobicContact SD-CD2 3.72Å; M153-D242 HydrophobicContact CE-CB 3.79Å; M153-D242 HydrophobicContact SD-CB 3.89Å; M153-I246 HydrophobicContact CE-CD1 4.46Å; M153-I246 HydrophobicContact CE-CG1 4.37Å; M153-I246 HydrophobicContact CG-CD1 4.4Å; M153-I246 HydrophobicContact SD-CD1 4.26Å
154	H	94.7	Very high	94.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-53.8	-51.3	164.8	-81.9	-48.5	0	0	0	111.2	D33 F126 I127 G128 H150 E151 T156 G157 F158 H160 M207	D33-H154 IonicContact OD1-NE2 2.95Å; D33-H154 PolarHBondContact OD1-NE2 3.28Å; F126-H154 CarbonylContact O-C 3.57Å; I127-H154 WeakPolarHBondContact CA-O 3.32Å; G128-H154 PolarHBondContact N-O 2.97Å; H150-H154 AromaticContact CD2-CD2 3.59Å; H150-H154 AromaticContact CD2-NE2 3.55Å; H150-H154 AromaticContact NE2-CD2 3.74Å; H150-H154 AromaticContact NE2-NE2 3.15Å; H150-H154 PolarHBondContact NE2-NE2 3.38Å; H150-H154 VanDerWaalsContact NE2-NE2 3.15Å; H150-H154 PolarHBondContact O-N 3.24Å; E151-H154 WeakPolarHBondContact O-CB 3.48Å; E151-H154 PolarHBondContact O-N 2.89Å; E151-H154 IonicContact OE2-CD2 2.93Å; H154-T156 PolarHBondContact O-N 3.05Å; H154-G157 WeakPolarHBondContact O-CA 3.09Å; H154-G157 PolarHBondContact O-N 3.43Å; H154-F158 PolarHBondContact ND1-O 3.28Å; H154-H160 AromaticContact CE1-CD2 3.73Å; H154-H160 AromaticContact CE1-CE1 3.69Å; H154-H160 AromaticContact CE1-NE2 3.4Å; H154-H160 PolarHBondContact CE1-NE2 2.02Å; H154-H160 AromaticContact NE2-CD2 3.68Å; H154-H160 AromaticContact NE2-CE1 3.68Å; H154-H160 AromaticContact NE2-NE2 3.08Å; H154-H160 PolarHBondContact NE2-NE2 2.94Å; H154-M207 WeakPolarHBondContact CE1-CE 3.33Å; H154-M207 WeakPolarHBondContact ND1-CE 3.45Å; H154-M207 VanDerWaalsContact NE2-CE 3.34Å; H154-M207 WeakPolarHBondContact NE2-CE 3.28Å
155	A	95.5	Very high	94.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.8	-22.9	178.4	0	0	0	0	0	113.6	W67 L115 F126 G128 E151 L152 M153 G157	W67-A155 PolarHBondContact NE1-O 3.48Å; L115-A155 HydrophobicContact CD1-CB 4.15Å; L115-A155 HydrophobicContact CD2-CB 3.93Å; F126-A155 VanDerWaalsContact O-CA 3.3Å; F126-A155 WeakPolarHBondContact O-CA 3.34Å; F126-A155 PolarHBondContact O-N 3.15Å; G128-A155 CarbonylContact C-O 3.57Å; G128-A155 VanDerWaalsContact C-O 3.28Å; G128-A155 WeakPolarHBondContact CA-O 3.32Å; E151-A155 PolarHBondContact O-N 3.12Å; E151-A155 VanDerWaalsContact O-N 3.15Å; L152-A155 CarbonylContact O-C 3.56Å; L152-A155 WeakPolarHBondContact O-CA 2.9Å; L152-A155 WeakPolarHBondContact O-CB 3.35Å; L152-A155 PolarHBondContact O-N 3.04Å; L152-A155 VanDerWaalsContact O-N 3.08Å; M153-A155 VanDerWaalsContact C-N 3.34Å; M153-A155 PolarHBondContact O-N 3.41Å; A155-G157 VanDerWaalsContact C-N 3.35Å
156	T	95	Very high	94.3	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-80.3	-11.9	173.2	72.7	0	0	0	0	114.4	I72 L101 L152 M153 H154 F158 Y250	I72-T156 HydrophobicContact CD1-CG2 4.02Å; L101-T156 HydrophobicContact CD1-CG2 3.41Å; L101-T156 VanDerWaalsContact CD1-CG2 3.41Å; L152-T156 WeakPolarHBondContact O-CG2 3.01Å; L152-T156 PolarHBondContact O-N 2.94Å; M153-T156 PolarHBondContact O-N 2.88Å; M153-T156 VanDerWaalsContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 3.18Å; H154-T156 PolarHBondContact O-N 3.05Å; T156-F158 VanDerWaalsContact OG1-CD2 3.28Å; T156-F158 WeakPolarHBondContact OG1-CD2 3.36Å; T156-Y250 WeakPolarHBondContact O-CE2 3.5Å; T156-Y250 PolarHBondContact O-OH 2.95Å
157	G	90.4	Very high	94.1	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.7	23.5	173.9	0	0	0	0	0	115.8	A59 V60 M153 H154 A155	A59-G157 CarbonylContact C-O 3.28Å; A59-G157 WeakPolarHBondContact CA-O 3.47Å; V60-G157 PolarHBondContact N-O 2.96Å; M153-G157 PolarHBondContact O-N 3.36Å; H154-G157 WeakPolarHBondContact O-CA 3.09Å; H154-G157 PolarHBondContact O-N 3.43Å; A155-G157 VanDerWaalsContact C-N 3.35Å
158	F	93.2	Very high	94.2	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.009	4%	0.04	C	C	.	.	B	Isolated β-bridge	trans	-105.9	140.5	177.9	-68	-88.1	0	0	0	112.1	A59 M153 H154 T156 L197 K245 I246 L249	A59-F158 HydrophobicContact CB-CD1 3.8Å; A59-F158 HydrophobicContact CB-CE1 3.41Å; A59-F158 VanDerWaalsContact CB-CE1 3.41Å; A59-F158 HydrophobicContact CB-CZ 4.04Å; M153-F158 HydrophobicContact CE-CB 3.97Å; M153-F158 HydrophobicContact CE-CD1 3.85Å; M153-F158 HydrophobicContact CE-CD2 3.75Å; M153-F158 HydrophobicContact CE-CE1 4.32Å; M153-F158 HydrophobicContact CE-CE2 4.23Å; M153-F158 HydrophobicContact CE-CG 3.54Å; M153-F158 HydrophobicContact CE-CZ 4.5Å; M153-F158 HydrophobicContact CG-CB 4.06Å; M153-F158 HydrophobicContact CG-CD2 3.88Å; M153-F158 HydrophobicContact CG-CG 4.18Å; M153-F158 PolarHBondContact O-N 3.19Å; H154-F158 PolarHBondContact ND1-O 3.28Å; T156-F158 VanDerWaalsContact OG1-CD2 3.28Å; T156-F158 WeakPolarHBondContact OG1-CD2 3.36Å; F158-L197 HydrophobicContact CE1-CD1 4.28Å; F158-L197 HydrophobicContact CZ-CD1 4.34Å; F158-K245 HydrophobicContact CE1-CB 3.64Å; F158-K245 HydrophobicContact CE1-CD 4.39Å; F158-K245 HydrophobicContact CE1-CG 4.44Å; F158-K245 HydrophobicContact CZ-CB 3.84Å; F158-I246 HydrophobicContact CD2-CG1 4.32Å; F158-I246 HydrophobicContact CE2-CB 4.38Å; F158-I246 HydrophobicContact CE2-CG1 3.59Å; F158-I246 HydrophobicContact CZ-CG1 4.1Å; F158-L249 HydrophobicContact CD2-CD2 4.45Å; F158-L249 HydrophobicContact CE2-CD2 3.64Å; F158-L249 HydrophobicContact CZ-CB 4.11Å; F158-L249 HydrophobicContact CZ-CD2 3.7Å
159	I	90	Very high	94	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	6%	0.064	C	C	.	.			trans	-87.5	173.6	165.2	53.6	165.3	0	0	0	110	S58 I127 N163 Q189 Y194	S58-I159 VanDerWaalsContact O-CG1 3.24Å; S58-I159 WeakPolarHBondContact O-CG1 3.42Å; S58-I159 PolarHBondContact O-N 3.33Å; S58-I159 VanDerWaalsContact O-N 3.14Å; I127-I159 HydrophobicContact CD1-CG2 3.5Å; I127-I159 VanDerWaalsContact CD1-CG2 3.5Å; I127-I159 HydrophobicContact CG1-CG2 4.45Å; I159-N163 HydrophobicContact CD1-CB 4.18Å; I159-Q189 HydrophobicContact CD1-CB 3.64Å; I159-Q189 HydrophobicContact CD1-CG 3.71Å; I159-Q189 HydrophobicContact CG2-CG 4.32Å; I159-Y194 HydrophobicContact CD1-CD1 4.45Å; I159-Y194 HydrophobicContact CD1-CD2 4.1Å; I159-Y194 HydrophobicContact CD1-CG 4.05Å; I159-Y194 HydrophobicContact CG1-CD1 4.26Å; I159-Y194 HydrophobicContact CG1-CG 4.35Å; I159-Y194 HydrophobicContact CG2-CD1 3.82Å; I159-Y194 HydrophobicContact CG2-CD2 4.34Å; I159-Y194 HydrophobicContact CG2-CE1 3.32Å; I159-Y194 HydrophobicContact CG2-CE2 3.87Å; I159-Y194 HydrophobicContact CG2-CG 4.32Å
160	H	93.2	Very high	93.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	7%	0.071	C	C	.	.			trans	-61	146.4	168.1	-52.3	104.1	0	0	0	112.7	A31 D33 H150 H154 H162 N163 M207 Y209	A31-H160 WeakPolarHBondContact CB-ND1 3.31Å; A31-H160 PolarHBondContact O-CE1 2.99Å; D33-H160 VanDerWaalsContact CG-NE2 3.28Å; D33-H160 IonicContact OD1-CE1 3.16Å; D33-H160 PolarHBondContact OD1-CE1 2.57Å; D33-H160 IonicContact OD1-NE2 2.77Å; D33-H160 PolarHBondContact OD1-NE2 2.84Å; D33-H160 IonicContact OD2-CE1 3.53Å; D33-H160 IonicContact OD2-NE2 3.66Å; D33-H160 PolarHBondContact OD2-NE2 3.05Å; H150-H160 AromaticContact CE1-CD2 3.58Å; H150-H160 AromaticContact CE1-NE2 3.89Å; H150-H160 AromaticContact NE2-CD2 3.51Å; H150-H160 AromaticContact NE2-NE2 3.34Å; H150-H160 PolarHBondContact NE2-NE2 3.28Å; H154-H160 AromaticContact CE1-CD2 3.73Å; H154-H160 AromaticContact CE1-CE1 3.69Å; H154-H160 AromaticContact CE1-NE2 3.4Å; H154-H160 PolarHBondContact CE1-NE2 2.02Å; H154-H160 AromaticContact NE2-CD2 3.68Å; H154-H160 AromaticContact NE2-CE1 3.68Å; H154-H160 AromaticContact NE2-NE2 3.08Å; H154-H160 PolarHBondContact NE2-NE2 2.94Å; H160-H162 VanDerWaalsContact C-N 3.3Å; H160-H162 WeakPolarHBondContact CB-CE1 3.45Å; H160-H162 WeakPolarHBondContact CB-ND1 3.42Å; H160-H162 AromaticContact CG-CE1 3.71Å; H160-H162 PolarHBondContact O-N 3.06Å; H160-N163 WeakPolarHBondContact CB-OD1 3.42Å; H160-N163 PolarHBondContact ND1-OD1 3.35Å; H160-N163 PolarHBondContact O-N 3.29Å; H160-N163 VanDerWaalsContact O-N 3.15Å; H160-M207 CarbonylContact C-O 3.59Å; H160-M207 WeakPolarHBondContact CA-O 3.49Å; H160-M207 VanDerWaalsContact CB-O 3.31Å; H160-M207 WeakPolarHBondContact CB-O 3.47Å; H160-Y209 AromaticContact CD2-CD1 3.8Å; H160-Y209 AromaticContact CD2-CE1 3.36Å; H160-Y209 WeakPolarHBondContact CD2-CE1 3.3Å; H160-Y209 AromaticContact CE1-CE1 3.83Å; H160-Y209 AromaticContact CE1-CZ 3.92Å; H160-Y209 AromaticContact CG-CE1 3.89Å; H160-Y209 AromaticContact NE2-CE1 3.3Å; H160-Y209 VanDerWaalsContact NE2-CE1 3.3Å; H160-Y209 WeakPolarHBondContact NE2-CE1 3.36Å; H160-Y209 AromaticContact NE2-CZ 3.83Å
161	E	94.8	Very high	93.7	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-65.5	-35.2	-178.5	-166.6	74.9	178.1	0	0	111.4	N163 R164 Y201 D202 M207 H208 K245	E161-N163 PolarHBondContact O-N 2.87Å; E161-R164 VanDerWaalsContact O-CB 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.13Å; E161-R164 VanDerWaalsContact O-CD 3.24Å; E161-R164 WeakPolarHBondContact O-CD 3.18Å; E161-R164 WeakPolarHBondContact O-CG 3.44Å; E161-R164 PolarHBondContact O-N 3.1Å; E161-R164 WeakPolarHBondContact OE1-CD 3.28Å; E161-R164 IonicContact OE1-CZ 3.49Å; E161-R164 IonicContact OE1-NE 2.66Å; E161-R164 IonicContact OE1-NH1 3.41Å; E161-R164 PolarHBondContact OE1-NH1 3.13Å; E161-R164 IonicContact OE2-NH1 3.93Å; E161-Y201 HydrophobicContact CG-CD1 4.43Å; E161-Y201 HydrophobicContact CG-CD2 4.35Å; E161-Y201 HydrophobicContact CG-CE1 4.16Å; E161-Y201 HydrophobicContact CG-CE2 4.07Å; E161-Y201 VanDerWaalsContact O-CE2 3.24Å; E161-Y201 WeakPolarHBondContact O-CE2 3.34Å; E161-D202 PolarHBondContact OE1-N 3.31Å; E161-M207 PolarHBondContact N-O 3.48Å; E161-H208 HydrophobicContact CB-CB 4.09Å; E161-K245 IonicContact OE1-NZ 3.78Å; E161-K245 PolarHBondContact OE1-NZ 3.46Å; E161-K245 IonicContact OE2-NZ 3.86Å; E161-K245 PolarHBondContact OE2-NZ 3.48Å
162	H	92.9	Very high	93.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-73.8	-12.3	178.2	74.5	-75	0	0	0	113.8	H160 R164 R167 E185 F186 Y201 Y209 M222	H160-H162 VanDerWaalsContact C-N 3.3Å; H160-H162 WeakPolarHBondContact CB-CE1 3.45Å; H160-H162 WeakPolarHBondContact CB-ND1 3.42Å; H160-H162 AromaticContact CG-CE1 3.71Å; H160-H162 PolarHBondContact O-N 3.06Å; H162-R164 VanDerWaalsContact C-N 3.32Å; H162-R167 WeakPolarHBondContact O-CB 3.45Å; H162-R167 WeakPolarHBondContact O-CD 3.32Å; H162-R167 WeakPolarHBondContact O-CG 3.23Å; H162-R167 PolarHBondContact O-NH1 3.08Å; H162-E185 PolarHBondContact NE2-O 3.46Å; H162-E185 VanDerWaalsContact NE2-O 3.11Å; H162-F186 AromaticContact CD2-CD1 3.9Å; H162-Y201 VanDerWaalsContact CA-OH 3.28Å; H162-Y201 WeakPolarHBondContact CA-OH 3.21Å; H162-Y209 AromaticContact CE1-CD1 3.8Å; H162-Y209 AromaticContact CE1-CD2 3.2Å; H162-Y209 WeakPolarHBondContact CE1-CD2 3.31Å; H162-Y209 AromaticContact CE1-CE2 3.59Å; H162-Y209 AromaticContact CE1-CG 3.35Å; H162-Y209 AromaticContact ND1-CD2 3.89Å; H162-Y209 AromaticContact ND1-CG 3.64Å; H162-Y209 AromaticContact NE2-CD2 3.58Å; H162-Y209 AromaticContact NE2-CE2 3.92Å; H162-M222 HydrophobicContact CB-CE 4.28Å; H162-M222 HydrophobicContact CB-SD 3.61Å
163	N	91.4	Very high	93.6	Very high	3 Å²	3	21 Å²	21	2%	0.016	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-87.5	-0.7	174	-63.4	132.6	0	0	0	112.9	I159 H160 E161 E185 A187 K188 Q189	I159-N163 HydrophobicContact CD1-CB 4.18Å; H160-N163 WeakPolarHBondContact CB-OD1 3.42Å; H160-N163 PolarHBondContact ND1-OD1 3.35Å; H160-N163 PolarHBondContact O-N 3.29Å; H160-N163 VanDerWaalsContact O-N 3.15Å; E161-N163 PolarHBondContact O-N 2.87Å; N163-E185 PolarHBondContact ND2-O 3.3Å; N163-A187 PolarHBondContact ND2-O 3.15Å; N163-K188 CarbonylContact O-C 3.56Å; N163-K188 WeakPolarHBondContact O-CA 3.25Å; N163-Q189 HydrophobicContact CB-CG 3.99Å; N163-Q189 PolarHBondContact O-N 3.37Å
164	R	92.1	Very high	93.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	10%	0.104	C	C	.	.	S	Bend	trans	-52.4	144	175.3	-77.7	171	61.3	131.7	-2.4	113.2	S56 R57 E161 H162 D166 R167 F199 P200 Y201	S56-R164 PolarHBondContact OG-NE 3.23Å; S56-R164 VanDerWaalsContact OG-NE 3.07Å; S56-R164 PolarHBondContact OG-NH2 2.89Å; R57-R164 WeakPolarHBondContact O-CG 3.33Å; E161-R164 VanDerWaalsContact O-CB 3.31Å; E161-R164 WeakPolarHBondContact O-CB 3.13Å; E161-R164 VanDerWaalsContact O-CD 3.24Å; E161-R164 WeakPolarHBondContact O-CD 3.18Å; E161-R164 WeakPolarHBondContact O-CG 3.44Å; E161-R164 PolarHBondContact O-N 3.1Å; E161-R164 WeakPolarHBondContact OE1-CD 3.28Å; E161-R164 IonicContact OE1-CZ 3.49Å; E161-R164 IonicContact OE1-NE 2.66Å; E161-R164 IonicContact OE1-NH1 3.41Å; E161-R164 PolarHBondContact OE1-NH1 3.13Å; E161-R164 IonicContact OE2-NH1 3.93Å; H162-R164 VanDerWaalsContact C-N 3.32Å; R164-D166 IonicContact NE-OD1 3.06Å; R164-D166 PolarHBondContact NE-OD1 3.25Å; R164-D166 IonicContact NH2-OD1 2.68Å; R164-D166 IonicContact NH2-OD2 2.63Å; R164-D166 PolarHBondContact O-N 3.06Å; R164-D166 VanDerWaalsContact O-N 3.16Å; R164-R167 HydrophobicContact CB-CB 4.29Å; R164-R167 VanDerWaalsContact O-CB 3.31Å; R164-R167 WeakPolarHBondContact O-CB 3.47Å; R164-R167 WeakPolarHBondContact O-CG 3.4Å; R164-R167 PolarHBondContact O-N 2.99Å; R164-F199 PolarHBondContact NH2-O 3.42Å; R164-P200 PolarHBondContact NH1-O 3.2Å; R164-Y201 HydrophobicContact CB-CE2 4.48Å
165	S	88.9	Confident	93.7	Very high	29 Å²	29	28.8 Å²	28.8	20%	0.203	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.5	179.1	61.1	0	0	0	0	114.3	S56 R57	S56-S165 WeakPolarHBondContact CA-OG 3.31Å; R57-S165 PolarHBondContact N-OG 3.23Å
166	D	91.5	Very high	93.7	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.9	175.5	85.8	-23.3	0	0	0	116	S56 R164 D168 R169 Y170	S56-D166 WeakPolarHBondContact CB-OD1 3.3Å; S56-D166 WeakPolarHBondContact CB-OD2 3.45Å; S56-D166 VanDerWaalsContact OG-CB 3.31Å; S56-D166 WeakPolarHBondContact OG-CB 3.18Å; S56-D166 PolarHBondContact OG-N 3.3Å; S56-D166 PolarHBondContact OG-OD1 3.11Å; S56-D166 PolarHBondContact OG-OD2 2.59Å; R164-D166 IonicContact NE-OD1 3.06Å; R164-D166 PolarHBondContact NE-OD1 3.25Å; R164-D166 IonicContact NH2-OD1 2.68Å; R164-D166 IonicContact NH2-OD2 2.63Å; R164-D166 PolarHBondContact O-N 3.06Å; R164-D166 VanDerWaalsContact O-N 3.16Å; D166-D168 PolarHBondContact O-N 3.34Å; D166-R169 WeakPolarHBondContact O-CB 3.35Å; D166-R169 PolarHBondContact O-N 3.07Å; D166-Y170 WeakPolarHBondContact OD2-CE2 3.35Å
167	R	93.2	Very high	93.7	Very high	8 Å²	8	36.3 Å²	36.3	3%	0.03	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-54.2	-29.1	-169.5	66.3	105.5	-173.4	-79.7	7.4	113.2	H162 R164 R169 Y170 V171 F186 K188 Y201	H162-R167 WeakPolarHBondContact O-CB 3.45Å; H162-R167 WeakPolarHBondContact O-CD 3.32Å; H162-R167 WeakPolarHBondContact O-CG 3.23Å; H162-R167 PolarHBondContact O-NH1 3.08Å; R164-R167 HydrophobicContact CB-CB 4.29Å; R164-R167 VanDerWaalsContact O-CB 3.31Å; R164-R167 WeakPolarHBondContact O-CB 3.47Å; R164-R167 WeakPolarHBondContact O-CG 3.4Å; R164-R167 PolarHBondContact O-N 2.99Å; R167-R169 PolarHBondContact O-N 3.06Å; R167-Y170 CarbonylContact O-C 3.55Å; R167-Y170 WeakPolarHBondContact O-CA 3.42Å; R167-Y170 PolarHBondContact O-N 2.75Å; R167-V171 HydrophobicContact CB-CG2 4.08Å; R167-V171 PolarHBondContact O-N 2.79Å; R167-F186 PolarHBondContact NH1-O 2.86Å; R167-F186 PolarHBondContact NH2-O 2.77Å; R167-K188 HydrophobicContact CG-CD 3.86Å; R167-K188 HydrophobicContact CG-CG 3.89Å; R167-K188 VanDerWaalsContact NH1-CG 3.32Å; R167-Y201 HydrophobicContact CB-CE2 3.82Å
168	D	94.9	Very high	93.4	Very high	77 Å²	77	36.4 Å²	36.4	41%	0.412	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.7	-6.7	176.8	-57.7	-28.7	0	0	0	114.5	D166 V171 K188 L225	D166-D168 PolarHBondContact O-N 3.34Å; D168-V171 WeakPolarHBondContact CA-O 3.1Å; D168-K188 WeakPolarHBondContact OD2-CE 3.4Å; D168-K188 IonicContact OD2-NZ 2.93Å; D168-K188 PolarHBondContact OD2-NZ 2.94Å; D168-L225 WeakPolarHBondContact O-CD1 3.46Å
169	R	94.1	Very high	92.9	Very high	138 Å²	138	39.4 Å²	39.4	52%	0.521	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-87.4	-9	169.5	-62.6	176.2	69.6	-174	2.1	113.4	D166 R167 K226	D166-R169 WeakPolarHBondContact O-CB 3.35Å; D166-R169 PolarHBondContact O-N 3.07Å; R167-R169 PolarHBondContact O-N 3.06Å; R169-K226 VanDerWaalsContact O-CE 3.31Å; R169-K226 WeakPolarHBondContact O-CE 3.39Å
170	Y	94.4	Very high	92.7	Very high	36 Å²	36	44.3 Å²	44.3	14%	0.141	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-40.1	-169.3	-63.2	-89	0	0	0	111.7	D166 R167 Y201 Y203 L225 K226	D166-Y170 WeakPolarHBondContact OD2-CE2 3.35Å; R167-Y170 CarbonylContact O-C 3.55Å; R167-Y170 WeakPolarHBondContact O-CA 3.42Å; R167-Y170 PolarHBondContact O-N 2.75Å; Y170-Y201 VanDerWaalsContact CD1-CB 3.45Å; Y170-Y201 HydrophobicContact CD1-CD1 4.17Å; Y170-Y201 AromaticContact CD1-CG 3.88Å; Y170-Y201 HydrophobicContact CD1-CG 3.88Å; Y170-Y201 AromaticContact CD2-CD2 3.85Å; Y170-Y201 HydrophobicContact CD2-CD2 3.85Å; Y170-Y201 AromaticContact CD2-CG 3.82Å; Y170-Y201 HydrophobicContact CD2-CG 3.82Å; Y170-Y201 VanDerWaalsContact CE1-CB 3.49Å; Y170-Y201 HydrophobicContact CE1-CG 4.4Å; Y170-Y201 HydrophobicContact CE2-CG 4.4Å; Y170-Y201 AromaticContact CG-CD1 3.99Å; Y170-Y201 HydrophobicContact CG-CD1 3.99Å; Y170-Y201 AromaticContact CG-CD2 3.96Å; Y170-Y201 HydrophobicContact CG-CD2 3.96Å; Y170-Y201 AromaticContact CG-CG 3.55Å; Y170-Y201 HydrophobicContact CG-CG 3.55Å; Y170-Y203 WeakPolarHBondContact CA-OH 3.27Å; Y170-Y203 WeakPolarHBondContact CB-OH 3.4Å; Y170-Y203 PolarHBondContact O-OH 3.17Å; Y170-L225 WeakPolarHBondContact O-CB 3.35Å; Y170-L225 PolarHBondContact O-N 3.48Å; Y170-K226 HydrophobicContact CD1-CD 4.32Å; Y170-K226 HydrophobicContact CE1-CD 4.5Å
171	V	95.1	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.6	178.4	-57.6	0	0	0	0	110.7	R167 D168 Y201 Y203 M222 E223 L224	R167-V171 HydrophobicContact CB-CG2 4.08Å; R167-V171 PolarHBondContact O-N 2.79Å; D168-V171 WeakPolarHBondContact CA-O 3.1Å; V171-Y201 HydrophobicContact CG1-CE1 4.32Å; V171-Y203 HydrophobicContact CG1-CE1 3.9Å; V171-M222 HydrophobicContact CG2-SD 4.36Å; V171-E223 CarbonylContact C-O 3.56Å; V171-E223 VanDerWaalsContact CA-O 3.25Å; V171-E223 WeakPolarHBondContact CA-O 3.49Å; V171-L224 HydrophobicContact CG1-CD2 3.76Å
172	K	96.5	Very high	91.3	Very high	108 Å²	108	48.7 Å²	48.7	47%	0.47	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.3	171.7	176.8	-176.7	178.6	-173	0	109.1	L174 M222 E223 L225	K172-L174 HydrophobicContact CD-CD2 4.36Å; K172-L174 HydrophobicContact CG-CD2 4.47Å; K172-L174 PolarHBondContact O-N 3.36Å; K172-M222 WeakPolarHBondContact O-CA 3.31Å; K172-E223 HydrophobicContact CB-CB 4.43Å; K172-E223 PolarHBondContact N-O 3.07Å; K172-E223 PolarHBondContact O-N 3.19Å; K172-L225 HydrophobicContact CB-CD1 4.31Å; K172-L225 HydrophobicContact CB-CD2 3.92Å; K172-L225 HydrophobicContact CB-CG 4.18Å
173	V	96.2	Very high	91	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.7	173.5	-175.3	0	0	0	0	109.2	W175 V178 F186 V221	V173-W175 HydrophobicContact CB-CD2 4.34Å; V173-W175 HydrophobicContact CB-CH2 4.49Å; V173-W175 HydrophobicContact CB-CZ2 4Å; V173-W175 HydrophobicContact CG1-CD2 3.73Å; V173-W175 HydrophobicContact CG1-CE3 3.84Å; V173-W175 HydrophobicContact CG1-CG 4.33Å; V173-W175 HydrophobicContact CG1-CH2 4.04Å; V173-W175 HydrophobicContact CG1-CZ2 3.94Å; V173-W175 HydrophobicContact CG1-CZ3 3.98Å; V173-W175 HydrophobicContact CG2-CZ2 4.48Å; V173-W175 PolarHBondContact O-N 3.33Å; V173-V178 HydrophobicContact CG1-CG2 4.33Å; V173-F186 HydrophobicContact CG1-CB 4.02Å; V173-F186 HydrophobicContact CG1-CD1 4.25Å; V173-F186 HydrophobicContact CG1-CG 4.08Å; V173-F186 HydrophobicContact CG2-CB 4.21Å; V173-F186 HydrophobicContact CG2-CD1 4.39Å; V173-V221 CarbonylContact C-O 3.49Å; V173-V221 WeakPolarHBondContact CA-O 3.31Å; V173-V221 HydrophobicContact CG1-CG1 4.23Å
174	L	97.2	Very high	90.3	Very high	34 Å²	34	57 Å²	57	18%	0.178	29%	0.292	C	S	.	.			trans	-85.8	74.6	175.2	-60.1	-178.8	0	0	0	109.3	K172 K176 N177 P220 V221 E223	K172-L174 HydrophobicContact CD-CD2 4.36Å; K172-L174 HydrophobicContact CG-CD2 4.47Å; K172-L174 PolarHBondContact O-N 3.36Å; L174-K176 PolarHBondContact O-N 3.43Å; L174-N177 WeakPolarHBondContact O-CB 3.37Å; L174-N177 PolarHBondContact O-N 2.73Å; L174-P220 WeakPolarHBondContact CD1-O 3.31Å; L174-V221 WeakPolarHBondContact CB-O 3.37Å; L174-V221 PolarHBondContact N-O 2.92Å; L174-E223 HydrophobicContact CD1-CB 4.17Å; L174-E223 HydrophobicContact CD2-CB 4.4Å; L174-E223 HydrophobicContact CG-CB 4.26Å
175	W	96.2	Very high	89.5	Confident	130 Å²	130	57.6 Å²	57.6	49%	0.492	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-48	-33.8	-175.1	-60.1	106.3	0	0	0	114.8	V173 N177 V178 E183 F186	V173-W175 HydrophobicContact CB-CD2 4.34Å; V173-W175 HydrophobicContact CB-CH2 4.49Å; V173-W175 HydrophobicContact CB-CZ2 4Å; V173-W175 HydrophobicContact CG1-CD2 3.73Å; V173-W175 HydrophobicContact CG1-CE3 3.84Å; V173-W175 HydrophobicContact CG1-CG 4.33Å; V173-W175 HydrophobicContact CG1-CH2 4.04Å; V173-W175 HydrophobicContact CG1-CZ2 3.94Å; V173-W175 HydrophobicContact CG1-CZ3 3.98Å; V173-W175 HydrophobicContact CG2-CZ2 4.48Å; V173-W175 PolarHBondContact O-N 3.33Å; W175-N177 PolarHBondContact O-N 3.28Å; W175-N177 VanDerWaalsContact O-N 3.1Å; W175-V178 HydrophobicContact CE3-CG2 4.18Å; W175-V178 WeakPolarHBondContact O-CB 3.14Å; W175-V178 PolarHBondContact O-N 3.15Å; W175-V178 VanDerWaalsContact O-N 3.09Å; W175-E183 HydrophobicContact CE3-CB 4.35Å; W175-E183 HydrophobicContact CE3-CG 4.27Å; W175-E183 HydrophobicContact CZ3-CB 3.98Å; W175-E183 HydrophobicContact CZ3-CG 4.41Å; W175-F186 HydrophobicContact CH2-CB 3.94Å; W175-F186 HydrophobicContact CZ3-CB 4Å
176	K	96.9	Very high	89.4	Confident	149 Å²	149	56.2 Å²	56.2	65%	0.648	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-62.3	-14.3	175.5	70.3	176.8	-177.3	-177.4	0	114.9	L174 R216	L174-K176 PolarHBondContact O-N 3.43Å; K176-R216 PolarHBondContact O-NE 2.77Å; K176-R216 PolarHBondContact O-NH2 3.31Å
177	N	94.6	Very high	89.2	Confident	9 Å²	9	57.3 Å²	57.3	5%	0.048	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-103.1	-9.7	178.6	-66.4	-19.9	0	0	0	112	L174 W175 S215 R216 N217 P220 V221	L174-N177 WeakPolarHBondContact O-CB 3.37Å; L174-N177 PolarHBondContact O-N 2.73Å; W175-N177 PolarHBondContact O-N 3.28Å; W175-N177 VanDerWaalsContact O-N 3.1Å; N177-S215 CarbonylContact O-C 3.57Å; N177-S215 WeakPolarHBondContact O-CA 3.24Å; N177-R216 WeakPolarHBondContact O-CG 3.14Å; N177-R216 PolarHBondContact O-N 2.98Å; N177-N217 PolarHBondContact OD1-ND2 3.42Å; N177-P220 PolarHBondContact ND2-O 2.63Å; N177-V221 HydrophobicContact CB-CG2 4.07Å
178	V	83.6	Confident	89	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-72.3	139.1	179	-175.1	0	0	0	0	109.9	V173 W175 S180 M182 E183 F186 R216 V221	V173-V178 HydrophobicContact CG1-CG2 4.33Å; W175-V178 HydrophobicContact CE3-CG2 4.18Å; W175-V178 WeakPolarHBondContact O-CB 3.14Å; W175-V178 PolarHBondContact O-N 3.15Å; W175-V178 VanDerWaalsContact O-N 3.09Å; V178-S180 PolarHBondContact O-N 3.08Å; V178-M182 HydrophobicContact CG1-CB 4.15Å; V178-E183 HydrophobicContact CG1-CG 4.34Å; V178-F186 HydrophobicContact CG1-CD2 4.13Å; V178-F186 HydrophobicContact CG1-CE2 4.02Å; V178-F186 HydrophobicContact CG2-CD2 4.19Å; V178-F186 HydrophobicContact CG2-CE2 4.23Å; V178-R216 WeakPolarHBondContact O-CD 3.41Å; V178-V221 HydrophobicContact CG2-CG1 3.5Å; V178-V221 HydrophobicContact CG2-CG2 4.47Å
179	I	84	Confident	88.3	Confident	65 Å²	65	59.5 Å²	59.5	33%	0.333	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-59	131	168.4	-66.9	164.8	0	0	0	109.1	G181 M182 F214 R216	I179-G181 PolarHBondContact O-N 3.36Å; I179-M182 HydrophobicContact CB-CB 4.23Å; I179-M182 HydrophobicContact CB-CG 3.89Å; I179-M182 HydrophobicContact CG2-CG 3.9Å; I179-M182 WeakPolarHBondContact O-CB 3.37Å; I179-M182 PolarHBondContact O-N 3.02Å; I179-F214 WeakPolarHBondContact CG1-O 3.24Å; I179-F214 PolarHBondContact N-O 3.33Å; I179-R216 HydrophobicContact CG1-CB 3.85Å
180	S	84.5	Confident	87.3	Confident	106 Å²	106	55 Å²	55	74%	0.741	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	128.5	179.1	-171.3	0	0	0	0	110.4	V178	V178-S180 PolarHBondContact O-N 3.08Å
181	G	79.4	Confident	86.2	Confident	54 Å²	54	55.9 Å²	55.9	56%	0.557	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-7.6	-174.8	0	0	0	0	0	114.5	I179 E183	I179-G181 PolarHBondContact O-N 3.36Å; G181-E183 VanDerWaalsContact C-OE2 3.25Å; G181-E183 WeakPolarHBondContact CA-OE2 3.32Å; G181-E183 PolarHBondContact N-OE2 3.1Å
182	M	80.8	Confident	84.7	Confident	42 Å²	42	60 Å²	60	21%	0.207	32%	0.32	C	S	.	.			trans	-104.8	16.1	178.4	-58.6	-66.4	170.5	0	0	112.5	V178 I179 T184 E185 F214	V178-M182 HydrophobicContact CG1-CB 4.15Å; I179-M182 HydrophobicContact CB-CB 4.23Å; I179-M182 HydrophobicContact CB-CG 3.89Å; I179-M182 HydrophobicContact CG2-CG 3.9Å; I179-M182 WeakPolarHBondContact O-CB 3.37Å; I179-M182 PolarHBondContact O-N 3.02Å; M182-T184 PolarHBondContact O-N 3.41Å; M182-E185 HydrophobicContact CB-CG 4.1Å; M182-E185 WeakPolarHBondContact O-CB 3.36Å; M182-E185 WeakPolarHBondContact O-CG 3.44Å; M182-E185 PolarHBondContact O-N 2.95Å; M182-E185 HydrophobicContact SD-CG 4.31Å; M182-F214 HydrophobicContact CB-CB 4.26Å; M182-F214 HydrophobicContact CB-CD1 4.15Å; M182-F214 HydrophobicContact CB-CG 4.41Å; M182-F214 HydrophobicContact CG-CD1 3.98Å; M182-F214 HydrophobicContact SD-CD1 4.06Å; M182-F214 HydrophobicContact SD-CE1 4.16Å
183	E	85	Confident	83	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.1	-29.5	-179.9	-63.1	84.5	172.9	0	0	112.3	W175 V178 G181 E185 F186	W175-E183 HydrophobicContact CE3-CB 4.35Å; W175-E183 HydrophobicContact CE3-CG 4.27Å; W175-E183 HydrophobicContact CZ3-CB 3.98Å; W175-E183 HydrophobicContact CZ3-CG 4.41Å; V178-E183 HydrophobicContact CG1-CG 4.34Å; G181-E183 VanDerWaalsContact C-OE2 3.25Å; G181-E183 WeakPolarHBondContact CA-OE2 3.32Å; G181-E183 PolarHBondContact N-OE2 3.1Å; E183-E185 PolarHBondContact O-N 3.2Å; E183-F186 PolarHBondContact O-N 2.73Å
184	T	76.4	Confident	81.6	Confident	96 Å²	96	55.7 Å²	55.7	59%	0.589	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-62.7	-27	177.8	44.3	0	0	0	0	113.1	M182 F186 A187	M182-T184 PolarHBondContact O-N 3.41Å; T184-F186 PolarHBondContact O-N 2.75Å; T184-A187 WeakPolarHBondContact O-CB 3.31Å; T184-A187 PolarHBondContact O-N 3.32Å
185	E	76.5	Confident	80.5	Confident	15 Å²	15	56.6 Å²	56.6	7%	0.07	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-68.1	-21.4	-178.9	-44.8	-44.2	101.2	0	0	111.9	A31 G32 H162 N163 M182 E183 F214	A31-E185 WeakPolarHBondContact CA-OE2 3.21Å; A31-E185 PolarHBondContact N-OE2 2.77Å; G32-E185 PolarHBondContact N-OE2 3.1Å; H162-E185 PolarHBondContact NE2-O 3.46Å; H162-E185 VanDerWaalsContact NE2-O 3.11Å; N163-E185 PolarHBondContact ND2-O 3.3Å; M182-E185 HydrophobicContact CB-CG 4.1Å; M182-E185 WeakPolarHBondContact O-CB 3.36Å; M182-E185 WeakPolarHBondContact O-CG 3.44Å; M182-E185 PolarHBondContact O-N 2.95Å; M182-E185 HydrophobicContact SD-CG 4.31Å; E183-E185 PolarHBondContact O-N 3.2Å; E185-F214 HydrophobicContact CB-CD2 4.27Å; E185-F214 HydrophobicContact CB-CE2 4.26Å; E185-F214 HydrophobicContact CG-CD2 4.48Å; E185-F214 HydrophobicContact CG-CE1 4.43Å; E185-F214 HydrophobicContact CG-CE2 4.36Å; E185-F214 HydrophobicContact CG-CZ 4.33Å
186	F	86.8	Confident	79.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-103.9	9	176.1	-58.5	-85.7	0	0	0	112.2	H162 R167 V173 W175 V178 E183 T184 A213 F214 V221 M222	H162-F186 AromaticContact CD2-CD1 3.9Å; R167-F186 PolarHBondContact NH1-O 2.86Å; R167-F186 PolarHBondContact NH2-O 2.77Å; V173-F186 HydrophobicContact CG1-CB 4.02Å; V173-F186 HydrophobicContact CG1-CD1 4.25Å; V173-F186 HydrophobicContact CG1-CG 4.08Å; V173-F186 HydrophobicContact CG2-CB 4.21Å; V173-F186 HydrophobicContact CG2-CD1 4.39Å; W175-F186 HydrophobicContact CH2-CB 3.94Å; W175-F186 HydrophobicContact CZ3-CB 4Å; V178-F186 HydrophobicContact CG1-CD2 4.13Å; V178-F186 HydrophobicContact CG1-CE2 4.02Å; V178-F186 HydrophobicContact CG2-CD2 4.19Å; V178-F186 HydrophobicContact CG2-CE2 4.23Å; E183-F186 PolarHBondContact O-N 2.73Å; T184-F186 PolarHBondContact O-N 2.75Å; F186-A213 HydrophobicContact CZ-CB 4.44Å; F186-A213 WeakPolarHBondContact CZ-O 3.41Å; F186-F214 HydrophobicContact CE2-CB 3.89Å; F186-F214 HydrophobicContact CE2-CD2 4.24Å; F186-F214 HydrophobicContact CE2-CG 4.41Å; F186-F214 HydrophobicContact CZ-CB 4.08Å; F186-F214 HydrophobicContact CZ-CD2 4.12Å; F186-V221 HydrophobicContact CD1-CG1 4.05Å; F186-V221 HydrophobicContact CD2-CG1 4.34Å; F186-V221 HydrophobicContact CE1-CB 4.36Å; F186-V221 HydrophobicContact CE1-CG1 3.49Å; F186-V221 VanDerWaalsContact CE1-CG1 3.49Å; F186-V221 HydrophobicContact CE2-CG1 3.83Å; F186-V221 HydrophobicContact CG-CG1 4.45Å; F186-V221 HydrophobicContact CZ-CB 4.18Å; F186-V221 HydrophobicContact CZ-CG1 3.38Å; F186-M222 HydrophobicContact CD1-CG 4.46Å; F186-M222 HydrophobicContact CD1-SD 4.47Å; F186-M222 HydrophobicContact CE1-CE 4.47Å; F186-M222 HydrophobicContact CE1-CG 4.31Å; F186-M222 HydrophobicContact CE1-SD 4.41Å
187	A	86.6	Confident	78.5	Confident	42 Å²	42	45.2 Å²	45.2	35%	0.347	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-62.8	140.7	176.2	0	0	0	0	0	110.8	N163 T184	N163-A187 PolarHBondContact ND2-O 3.15Å; T184-A187 WeakPolarHBondContact O-CB 3.31Å; T184-A187 PolarHBondContact O-N 3.32Å
188	K	88.6	Confident	77.9	Confident	96 Å²	96	48.1 Å²	48.1	42%	0.417	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.2	141.3	171.9	-66.8	-173.2	-60.8	-175.3	0	109.4	N163 R167 D168	N163-K188 CarbonylContact O-C 3.56Å; N163-K188 WeakPolarHBondContact O-CA 3.25Å; R167-K188 HydrophobicContact CG-CD 3.86Å; R167-K188 HydrophobicContact CG-CG 3.89Å; R167-K188 VanDerWaalsContact NH1-CG 3.32Å; D168-K188 WeakPolarHBondContact OD2-CE 3.4Å; D168-K188 IonicContact OD2-NZ 2.93Å; D168-K188 PolarHBondContact OD2-NZ 2.94Å
189	Q	81.2	Confident	78.2	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.164	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-86.8	148.2	172.1	-65	-62.9	-19.8	0	0	110.9	I159 N163 Y194	I159-Q189 HydrophobicContact CD1-CB 3.64Å; I159-Q189 HydrophobicContact CD1-CG 3.71Å; I159-Q189 HydrophobicContact CG2-CG 4.32Å; N163-Q189 HydrophobicContact CB-CG 3.99Å; N163-Q189 PolarHBondContact O-N 3.37Å; Q189-Y194 HydrophobicContact CB-CD2 3.57Å; Q189-Y194 HydrophobicContact CB-CE2 3.69Å; Q189-Y194 HydrophobicContact CG-CD2 4.29Å; Q189-Y194 HydrophobicContact CG-CE2 3.95Å
190	S	73.7	Confident	78.6	Confident	43 Å²	43	50.4 Å²	50.4	30%	0.301	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.2	139.6	-176.5	-178.2	0	0	0	0	111.6	Q192 I193 Y194	S190-Q192 PolarHBondContact O-N 2.83Å; S190-Q192 PolarHBondContact OG-N 3.17Å; S190-I193 PolarHBondContact O-N 3.07Å; S190-Y194 PolarHBondContact O-N 3.24Å
191	D	71.3	Confident	79	Confident	56 Å²	56	46 Å²	46	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-6.3	175	90.4	-48.6	0	0	0	112.1	R57 I193	R57-D191 HydrophobicContact CB-CB 4.28Å; R57-D191 VanDerWaalsContact CD-CA 3.49Å; R57-D191 WeakPolarHBondContact CD-O 3.42Å; R57-D191 HydrophobicContact CG-CB 3.9Å; R57-D191 IonicContact CZ-OD2 2.71Å; R57-D191 VanDerWaalsContact NE-CB 3.31Å; R57-D191 PolarHBondContact NE-O 3.11Å; R57-D191 IonicContact NE-OD2 2.75Å; R57-D191 PolarHBondContact NE-OD2 3.17Å; R57-D191 PolarHBondContact NH1-O 3.34Å; R57-D191 IonicContact NH2-OD2 3.87Å; R57-D191 PolarHBondContact NH2-OD2 3.49Å; D191-I193 VanDerWaalsContact C-N 3.3Å
192	Q	61.8	Low	79.8	Confident	85 Å²	85	44.5 Å²	44.5	40%	0.397	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.1	173.6	-59.2	-170.3	6.1	0	0	112	I46 R61 S190	I46-Q192 VanDerWaalsContact CG2-CD 3.49Å; R61-Q192 VanDerWaalsContact CD-O 3.26Å; R61-Q192 WeakPolarHBondContact CD-O 3.48Å; R61-Q192 PolarHBondContact NH1-O 2.71Å; S190-Q192 PolarHBondContact O-N 2.83Å; S190-Q192 PolarHBondContact OG-N 3.17Å
193	I	61.1	Low	80.4	Confident	20 Å²	20	43.6 Å²	43.6	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-46	-170.9	-63.6	166.6	0	0	0	111.3	L40 R61 S190 D191	L40-I193 HydrophobicContact CB-CD1 3.29Å; L40-I193 HydrophobicContact CB-CG1 3.62Å; L40-I193 HydrophobicContact CB-CG2 4.23Å; L40-I193 HydrophobicContact CD1-CB 4.01Å; L40-I193 HydrophobicContact CD1-CD1 4.33Å; L40-I193 HydrophobicContact CD1-CG1 3.86Å; L40-I193 HydrophobicContact CD1-CG2 3.18Å; L40-I193 HydrophobicContact CG-CD1 4.39Å; L40-I193 HydrophobicContact CG-CG1 4.25Å; L40-I193 HydrophobicContact CG-CG2 4.3Å; R61-I193 VanDerWaalsContact CB-O 3.26Å; R61-I193 WeakPolarHBondContact CB-O 3.49Å; R61-I193 VanDerWaalsContact CG-O 3.25Å; R61-I193 WeakPolarHBondContact CG-O 3.49Å; R61-I193 PolarHBondContact N-O 3.16Å; S190-I193 PolarHBondContact O-N 3.07Å; D191-I193 VanDerWaalsContact C-N 3.3Å
194	Y	68.2	Low	80.9	Confident	6 Å²	6	42.2 Å²	42.2	2%	0.024	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	165	-177.1	-60.6	-76.6	0	0	0	110.1	R57 A59 V60 R61 I127 I159 Q189 S190	R57-Y194 VanDerWaalsContact CB-C 3.42Å; R57-Y194 WeakPolarHBondContact CB-O 3.49Å; R57-Y194 WeakPolarHBondContact CD-O 3.45Å; R57-Y194 WeakPolarHBondContact CG-O 3.22Å; A59-Y194 CarbonylContact O-C 3.55Å; A59-Y194 VanDerWaalsContact O-C 3.23Å; A59-Y194 WeakPolarHBondContact O-CA 3.36Å; V60-Y194 HydrophobicContact CG1-CD1 4.14Å; V60-Y194 HydrophobicContact CG1-CE1 3.69Å; R61-Y194 WeakPolarHBondContact CD-O 3.39Å; I127-Y194 HydrophobicContact CG2-CE1 4.23Å; I159-Y194 HydrophobicContact CD1-CD1 4.45Å; I159-Y194 HydrophobicContact CD1-CD2 4.1Å; I159-Y194 HydrophobicContact CD1-CG 4.05Å; I159-Y194 HydrophobicContact CG1-CD1 4.26Å; I159-Y194 HydrophobicContact CG1-CG 4.35Å; I159-Y194 HydrophobicContact CG2-CD1 3.82Å; I159-Y194 HydrophobicContact CG2-CD2 4.34Å; I159-Y194 HydrophobicContact CG2-CE1 3.32Å; I159-Y194 HydrophobicContact CG2-CE2 3.87Å; I159-Y194 HydrophobicContact CG2-CG 4.32Å; Q189-Y194 HydrophobicContact CB-CD2 3.57Å; Q189-Y194 HydrophobicContact CB-CE2 3.69Å; Q189-Y194 HydrophobicContact CG-CD2 4.29Å; Q189-Y194 HydrophobicContact CG-CE2 3.95Å; S190-Y194 PolarHBondContact O-N 3.24Å
195	D	72.4	Confident	81.8	Confident	53 Å²	53	37.6 Å²	37.6	28%	0.283	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.8	174.5	-160.6	-32.4	0	0	0	110.2	S58 A59 R61 L197	S58-D195 CarbonylContact C-O 3.42Å; S58-D195 VanDerWaalsContact N-C 3.31Å; S58-D195 PolarHBondContact N-O 2.81Å; A59-D195 WeakPolarHBondContact CB-O 3.49Å; A59-D195 PolarHBondContact N-O 2.92Å; A59-D195 PolarHBondContact O-N 2.75Å; R61-D195 HydrophobicContact CG-CB 3.82Å; D195-L197 HydrophobicContact CB-CD2 4.07Å; D195-L197 PolarHBondContact O-N 2.87Å; D195-L197 PolarHBondContact OD1-N 2.93Å
196	T	73.8	Confident	82.8	Confident	15 Å²	15	36.9 Å²	36.9	9%	0.092	22%	0.215	C	C	.	.			trans	-75.8	-18.4	172.8	24.9	0	0	0	0	112.3	S56 G198 F199	S56-T196 WeakPolarHBondContact O-CB 3.39Å; S56-T196 WeakPolarHBondContact O-CG2 3.45Å; S56-T196 PolarHBondContact O-N 2.95Å; S56-T196 PolarHBondContact O-OG1 3.11Å; T196-G198 PolarHBondContact O-N 3.43Å; T196-G198 VanDerWaalsContact O-N 3.15Å; T196-F199 WeakPolarHBondContact O-CD2 3.37Å; T196-F199 PolarHBondContact O-N 2.6Å
197	L	78.7	Confident	83.2	Confident	26 Å²	26	37 Å²	37	14%	0.136	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	21.3	-167.8	-44.4	169.9	0	0	0	111.8	A59 F158 D195 F199 K245 R248 L249	A59-L197 HydrophobicContact CB-CD1 3.76Å; A59-L197 HydrophobicContact CB-CD2 4.36Å; A59-L197 HydrophobicContact CB-CG 3.98Å; F158-L197 HydrophobicContact CE1-CD1 4.28Å; F158-L197 HydrophobicContact CZ-CD1 4.34Å; D195-L197 HydrophobicContact CB-CD2 4.07Å; D195-L197 PolarHBondContact O-N 2.87Å; D195-L197 PolarHBondContact OD1-N 2.93Å; L197-F199 HydrophobicContact CB-CD2 3.95Å; L197-F199 HydrophobicContact CB-CE2 4.06Å; L197-K245 HydrophobicContact CD1-CB 4.46Å; L197-K245 VanDerWaalsContact CD1-O 3.23Å; L197-K245 WeakPolarHBondContact CD1-O 3.49Å; L197-R248 HydrophobicContact CB-CB 4.39Å; L197-R248 HydrophobicContact CB-CG 3.74Å; L197-R248 HydrophobicContact CD1-CB 4.35Å; L197-R248 HydrophobicContact CD1-CG 4.35Å; L197-R248 HydrophobicContact CG-CG 4.46Å; L197-L249 HydrophobicContact CD1-CB 3.79Å; L197-L249 HydrophobicContact CD1-CD1 4.19Å; L197-L249 HydrophobicContact CD2-CD1 4.08Å
198	G	82.3	Confident	83.7	Confident	69 Å²	69	35 Å²	35	71%	0.711	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	5.9	-179.2	0	0	0	0	0	116.1	T196	T196-G198 PolarHBondContact O-N 3.43Å; T196-G198 VanDerWaalsContact O-N 3.15Å
199	F	89.9	Confident	83.9	Confident	31 Å²	31	30.7 Å²	30.7	14%	0.136	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-86	143	-177.8	-67.3	-80.8	0	0	0	113.4	R164 T196 L197 Q244 K245 R248	R164-F199 PolarHBondContact NH2-O 3.42Å; T196-F199 WeakPolarHBondContact O-CD2 3.37Å; T196-F199 PolarHBondContact O-N 2.6Å; L197-F199 HydrophobicContact CB-CD2 3.95Å; L197-F199 HydrophobicContact CB-CE2 4.06Å; F199-Q244 HydrophobicContact CD1-CB 4.35Å; F199-Q244 HydrophobicContact CE1-CB 3.46Å; F199-Q244 VanDerWaalsContact CE1-CB 3.46Å; F199-Q244 HydrophobicContact CE1-CG 4.35Å; F199-Q244 HydrophobicContact CE2-CB 4.47Å; F199-Q244 HydrophobicContact CZ-CB 3.54Å; F199-K245 HydrophobicContact CB-CG 4.13Å; F199-K245 HydrophobicContact CD2-CB 4.38Å; F199-K245 HydrophobicContact CD2-CG 3.55Å; F199-K245 HydrophobicContact CE2-CG 4.15Å; F199-K245 HydrophobicContact CG-CG 3.86Å; F199-R248 HydrophobicContact CE2-CB 3.89Å; F199-R248 HydrophobicContact CE2-CG 4.21Å; F199-R248 HydrophobicContact CZ-CB 4.34Å
200	P	92	Very high	84.4	Confident	86 Å²	86	31.3 Å²	31.3	56%	0.558	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-62	164.3	172	29	-35	0	0	0	111.1	R164 D202	R164-P200 PolarHBondContact NH1-O 3.2Å; P200-D202 PolarHBondContact O-N 3.28Å
201	Y	93.3	Very high	85.3	Confident	13 Å²	13	31.6 Å²	31.6	5%	0.051	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-61.6	128.5	171.8	-167.6	-83.1	0	0	0	109.9	E161 H162 R164 R167 Y170 V171 Y203 H208	E161-Y201 HydrophobicContact CG-CD1 4.43Å; E161-Y201 HydrophobicContact CG-CD2 4.35Å; E161-Y201 HydrophobicContact CG-CE1 4.16Å; E161-Y201 HydrophobicContact CG-CE2 4.07Å; E161-Y201 VanDerWaalsContact O-CE2 3.24Å; E161-Y201 WeakPolarHBondContact O-CE2 3.34Å; H162-Y201 VanDerWaalsContact CA-OH 3.28Å; H162-Y201 WeakPolarHBondContact CA-OH 3.21Å; R164-Y201 HydrophobicContact CB-CE2 4.48Å; R167-Y201 HydrophobicContact CB-CE2 3.82Å; Y170-Y201 VanDerWaalsContact CD1-CB 3.45Å; Y170-Y201 HydrophobicContact CD1-CD1 4.17Å; Y170-Y201 AromaticContact CD1-CG 3.88Å; Y170-Y201 HydrophobicContact CD1-CG 3.88Å; Y170-Y201 AromaticContact CD2-CD2 3.85Å; Y170-Y201 HydrophobicContact CD2-CD2 3.85Å; Y170-Y201 AromaticContact CD2-CG 3.82Å; Y170-Y201 HydrophobicContact CD2-CG 3.82Å; Y170-Y201 VanDerWaalsContact CE1-CB 3.49Å; Y170-Y201 HydrophobicContact CE1-CG 4.4Å; Y170-Y201 HydrophobicContact CE2-CG 4.4Å; Y170-Y201 AromaticContact CG-CD1 3.99Å; Y170-Y201 HydrophobicContact CG-CD1 3.99Å; Y170-Y201 AromaticContact CG-CD2 3.96Å; Y170-Y201 HydrophobicContact CG-CD2 3.96Å; Y170-Y201 AromaticContact CG-CG 3.55Å; Y170-Y201 HydrophobicContact CG-CG 3.55Å; V171-Y201 HydrophobicContact CG1-CE1 4.32Å; Y201-Y203 AromaticContact CD1-CD1 3.92Å; Y201-Y203 HydrophobicContact CD1-CD1 3.92Å; Y201-Y203 AromaticContact CD1-CE1 3.84Å; Y201-Y203 HydrophobicContact CD1-CE1 3.84Å; Y201-Y203 HydrophobicContact CD1-CG 4.33Å; Y201-Y203 AromaticContact CE1-CD1 3.65Å; Y201-Y203 HydrophobicContact CE1-CD1 3.65Å; Y201-Y203 AromaticContact CE1-CE1 3.67Å; Y201-Y203 HydrophobicContact CE1-CE1 3.67Å; Y201-Y203 HydrophobicContact CE1-CG 4.41Å; Y201-H208 AromaticContact CE1-CD2 3.56Å; Y201-H208 AromaticContact CE1-NE2 3.4Å; Y201-H208 WeakPolarHBondContact CE1-NE2 3.29Å; Y201-H208 AromaticContact CZ-CD2 3.73Å; Y201-H208 AromaticContact CZ-NE2 3.45Å; Y201-H208 PolarHBondContact OH-CD2 3.36Å; Y201-H208 VanDerWaalsContact OH-CD2 3.27Å; Y201-H208 PolarHBondContact OH-NE2 2.97Å
202	D	95	Very high	86.3	Confident	23 Å²	23	31 Å²	31	12%	0.123	18%	0.18	C	C	.	.			trans	-109.9	98.9	-176.1	-179.5	21.3	0	0	0	112.1	E161 P200 N204 S205 S239 S241	E161-D202 PolarHBondContact OE1-N 3.31Å; P200-D202 PolarHBondContact O-N 3.28Å; D202-N204 PolarHBondContact O-N 2.96Å; D202-N204 PolarHBondContact OD1-N 3.24Å; D202-S205 VanDerWaalsContact CG-N 3.32Å; D202-S205 VanDerWaalsContact O-CB 3.29Å; D202-S205 WeakPolarHBondContact O-CB 3.36Å; D202-S205 PolarHBondContact O-N 3.26Å; D202-S205 VanDerWaalsContact O-N 3.16Å; D202-S205 PolarHBondContact OD1-N 2.44Å; D202-S205 VanDerWaalsContact OD2-CA 3.31Å; D202-S205 WeakPolarHBondContact OD2-CA 3.47Å; D202-S205 WeakPolarHBondContact OD2-CB 3.27Å; D202-S205 PolarHBondContact OD2-N 3.49Å; D202-S239 VanDerWaalsContact OD2-CB 3.31Å; D202-S239 WeakPolarHBondContact OD2-CB 3.2Å; D202-S239 PolarHBondContact OD2-OG 2.95Å; D202-S241 WeakPolarHBondContact OD2-CB 3.42Å
203	Y	94.8	Very high	87.3	Confident	22 Å²	22	27 Å²	27	9%	0.086	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.9	174.5	-68.5	-61.2	0	0	0	113.6	Y170 V171 Y201 L224 S228 V232	Y170-Y203 WeakPolarHBondContact CA-OH 3.27Å; Y170-Y203 WeakPolarHBondContact CB-OH 3.4Å; Y170-Y203 PolarHBondContact O-OH 3.17Å; V171-Y203 HydrophobicContact CG1-CE1 3.9Å; Y201-Y203 AromaticContact CD1-CD1 3.92Å; Y201-Y203 HydrophobicContact CD1-CD1 3.92Å; Y201-Y203 AromaticContact CD1-CE1 3.84Å; Y201-Y203 HydrophobicContact CD1-CE1 3.84Å; Y201-Y203 HydrophobicContact CD1-CG 4.33Å; Y201-Y203 AromaticContact CE1-CD1 3.65Å; Y201-Y203 HydrophobicContact CE1-CD1 3.65Å; Y201-Y203 AromaticContact CE1-CE1 3.67Å; Y201-Y203 HydrophobicContact CE1-CE1 3.67Å; Y201-Y203 HydrophobicContact CE1-CG 4.41Å; Y203-L224 HydrophobicContact CD1-CD2 3.91Å; Y203-L224 HydrophobicContact CE1-CD2 3.67Å; Y203-S228 VanDerWaalsContact CB-OG 3.25Å; Y203-S228 WeakPolarHBondContact CB-OG 3.24Å; Y203-V232 HydrophobicContact CD1-CG2 4.25Å; Y203-V232 HydrophobicContact CG-CG2 4.47Å; Y203-V232 WeakPolarHBondContact O-CA 3.09Å
204	N	94.5	Very high	88.3	Confident	54 Å²	54	26.8 Å²	26.8	29%	0.289	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7.3	-177.8	-157.8	68.4	0	0	0	112.4	D202 E231 Q234 S239	D202-N204 PolarHBondContact O-N 2.96Å; D202-N204 PolarHBondContact OD1-N 3.24Å; N204-E231 PolarHBondContact OD1-N 2.68Å; N204-E231 PolarHBondContact OD1-O 2.95Å; N204-Q234 WeakPolarHBondContact O-CG 3.13Å; N204-Q234 PolarHBondContact O-NE2 3Å; N204-S239 VanDerWaalsContact O-CB 3.31Å; N204-S239 WeakPolarHBondContact O-CB 3.25Å
205	S	96.3	Very high	89.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.165	C	C	.	.			trans	-61.4	138.1	178.8	179.2	0	0	0	0	109.8	D202 M207 H208 D242	D202-S205 VanDerWaalsContact CG-N 3.32Å; D202-S205 VanDerWaalsContact O-CB 3.29Å; D202-S205 WeakPolarHBondContact O-CB 3.36Å; D202-S205 PolarHBondContact O-N 3.26Å; D202-S205 VanDerWaalsContact O-N 3.16Å; D202-S205 PolarHBondContact OD1-N 2.44Å; D202-S205 VanDerWaalsContact OD2-CA 3.31Å; D202-S205 WeakPolarHBondContact OD2-CA 3.47Å; D202-S205 WeakPolarHBondContact OD2-CB 3.27Å; D202-S205 PolarHBondContact OD2-N 3.49Å; S205-M207 PolarHBondContact O-N 3.07Å; S205-M207 VanDerWaalsContact O-N 3.17Å; S205-M207 WeakPolarHBondContact OG-CB 3.41Å; S205-M207 PolarHBondContact OG-N 3.21Å; S205-M207 VanDerWaalsContact OG-N 3.11Å; S205-H208 WeakPolarHBondContact O-CB 3.35Å; S205-H208 PolarHBondContact O-N 3.39Å; S205-D242 WeakPolarHBondContact CA-OD2 3.45Å; S205-D242 WeakPolarHBondContact CB-OD1 3.41Å; S205-D242 PolarHBondContact OG-OD1 2.89Å; S205-D242 PolarHBondContact OG-OD2 3.37Å
206	V	96.4	Very high	90.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26	170.8	74.3	0	0	0	0	110.6	G146 V149 H150 M153 H208 R235 G237 L238 D242	G146-V206 WeakPolarHBondContact O-CG2 3.4Å; V149-V206 HydrophobicContact CG1-CG1 4.32Å; V149-V206 HydrophobicContact CG1-CG2 4.44Å; H150-V206 HydrophobicContact CB-CG2 4.21Å; H150-V206 PolarHBondContact CE1-O 3.15Å; H150-V206 PolarHBondContact ND1-O 3.19Å; M153-V206 HydrophobicContact SD-CG1 3.74Å; V206-H208 VanDerWaalsContact C-N 3.27Å; V206-H208 PolarHBondContact O-N 3.13Å; V206-R235 PolarHBondContact O-NH1 2.71Å; V206-R235 VanDerWaalsContact O-NH1 3.14Å; V206-G237 WeakPolarHBondContact CB-O 3.11Å; V206-L238 HydrophobicContact CG1-CD2 4.18Å; V206-D242 PolarHBondContact N-OD2 3.29Å
207	M	96.1	Very high	91	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.4	177.1	-52.4	-49.8	-64.2	0	0	113.7	M153 H154 H160 E161 S205	M153-M207 HydrophobicContact CB-SD 3.63Å; M153-M207 HydrophobicContact CE-CG 3.69Å; M153-M207 HydrophobicContact CG-CG 3.97Å; M153-M207 HydrophobicContact CG-SD 3.61Å; M153-M207 HydrophobicContact SD-CG 3.47Å; M153-M207 WeakPolarHBondContact SD-CG 3.47Å; M153-M207 HydrophobicContact SD-SD 3.69Å; M153-M207 VanDerWaalsContact SD-SD 3.69Å; H154-M207 WeakPolarHBondContact CE1-CE 3.33Å; H154-M207 WeakPolarHBondContact ND1-CE 3.45Å; H154-M207 VanDerWaalsContact NE2-CE 3.34Å; H154-M207 WeakPolarHBondContact NE2-CE 3.28Å; H160-M207 CarbonylContact C-O 3.59Å; H160-M207 WeakPolarHBondContact CA-O 3.49Å; H160-M207 VanDerWaalsContact CB-O 3.31Å; H160-M207 WeakPolarHBondContact CB-O 3.47Å; E161-M207 PolarHBondContact N-O 3.48Å; S205-M207 PolarHBondContact O-N 3.07Å; S205-M207 VanDerWaalsContact O-N 3.17Å; S205-M207 WeakPolarHBondContact OG-CB 3.41Å; S205-M207 PolarHBondContact OG-N 3.21Å; S205-M207 VanDerWaalsContact OG-N 3.11Å
208	H	95.7	Very high	91.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-87.1	135.8	175.8	-157.3	-60.4	0	0	0	110.5	E161 Y201 S205 V206 V232 G233 R235	E161-H208 HydrophobicContact CB-CB 4.09Å; Y201-H208 AromaticContact CE1-CD2 3.56Å; Y201-H208 AromaticContact CE1-NE2 3.4Å; Y201-H208 WeakPolarHBondContact CE1-NE2 3.29Å; Y201-H208 AromaticContact CZ-CD2 3.73Å; Y201-H208 AromaticContact CZ-NE2 3.45Å; Y201-H208 PolarHBondContact OH-CD2 3.36Å; Y201-H208 VanDerWaalsContact OH-CD2 3.27Å; Y201-H208 PolarHBondContact OH-NE2 2.97Å; S205-H208 WeakPolarHBondContact O-CB 3.35Å; S205-H208 PolarHBondContact O-N 3.39Å; V206-H208 VanDerWaalsContact C-N 3.27Å; V206-H208 PolarHBondContact O-N 3.13Å; H208-V232 WeakPolarHBondContact CE1-CG1 3.44Å; H208-V232 VanDerWaalsContact ND1-CG1 3.27Å; H208-V232 WeakPolarHBondContact ND1-CG1 3.4Å; H208-G233 WeakPolarHBondContact O-CA 3.49Å; H208-R235 PolarHBondContact O-NH1 3.27Å
209	Y	92.7	Very high	92.1	Very high	6 Å²	6	40 Å²	40	2%	0.024	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.8	146.9	170.3	-84.5	10.2	0	0	0	112.4	A31 D33 H160 H162 A213 F214 V232	A31-Y209 VanDerWaalsContact C-OH 3.31Å; A31-Y209 PolarHBondContact O-OH 2.85Å; D33-Y209 PolarHBondContact OD2-OH 3.26Å; H160-Y209 AromaticContact CD2-CD1 3.8Å; H160-Y209 AromaticContact CD2-CE1 3.36Å; H160-Y209 WeakPolarHBondContact CD2-CE1 3.3Å; H160-Y209 AromaticContact CE1-CE1 3.83Å; H160-Y209 AromaticContact CE1-CZ 3.92Å; H160-Y209 AromaticContact CG-CE1 3.89Å; H160-Y209 AromaticContact NE2-CE1 3.3Å; H160-Y209 VanDerWaalsContact NE2-CE1 3.3Å; H160-Y209 WeakPolarHBondContact NE2-CE1 3.36Å; H160-Y209 AromaticContact NE2-CZ 3.83Å; H162-Y209 AromaticContact CE1-CD1 3.8Å; H162-Y209 AromaticContact CE1-CD2 3.2Å; H162-Y209 WeakPolarHBondContact CE1-CD2 3.31Å; H162-Y209 AromaticContact CE1-CE2 3.59Å; H162-Y209 AromaticContact CE1-CG 3.35Å; H162-Y209 AromaticContact ND1-CD2 3.89Å; H162-Y209 AromaticContact ND1-CG 3.64Å; H162-Y209 AromaticContact NE2-CD2 3.58Å; H162-Y209 AromaticContact NE2-CE2 3.92Å; Y209-A213 HydrophobicContact CD2-CB 3.79Å; Y209-A213 HydrophobicContact CG-CB 4.19Å; Y209-F214 HydrophobicContact CD2-CE2 4.46Å; Y209-F214 HydrophobicContact CE2-CD2 4.09Å; Y209-F214 AromaticContact CE2-CE2 3.6Å; Y209-F214 HydrophobicContact CE2-CE2 3.6Å; Y209-V232 WeakPolarHBondContact O-CG1 3.29Å
210	E	92.1	Very high	92.3	Very high	48 Å²	48	41.3 Å²	41.3	22%	0.224	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-60.2	154	164.8	55.8	161.3	-138.9	0	0	111.1	T212 A213	E210-T212 PolarHBondContact O-N 3.31Å; E210-T212 VanDerWaalsContact O-N 3.17Å; E210-T212 PolarHBondContact OE1-OG1 2.81Å; E210-A213 HydrophobicContact CG-CB 4.15Å; E210-A213 VanDerWaalsContact O-CB 3.28Å; E210-A213 WeakPolarHBondContact O-CB 3.31Å; E210-A213 PolarHBondContact O-N 3.12Å
211	L	93.8	Very high	92.4	Very high	50 Å²	50	37.2 Å²	37.2	26%	0.262	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	-174.8	-60.8	-178.7	0	0	0	113.1	P220 V221 M222 L224 V232	L211-P220 HydrophobicContact CB-CB 4.24Å; L211-P220 CarbonylContact O-C 3.54Å; L211-P220 VanDerWaalsContact O-CA 3.3Å; L211-P220 WeakPolarHBondContact O-CA 3.2Å; L211-V221 PolarHBondContact O-N 3.41Å; L211-M222 HydrophobicContact CD2-CB 3.93Å; L211-M222 PolarHBondContact O-N 3.22Å; L211-L224 HydrophobicContact CD2-CD2 3.92Å; L211-L224 HydrophobicContact CD2-CG 4.4Å; L211-V232 HydrophobicContact CD2-CB 4.29Å; L211-V232 HydrophobicContact CD2-CG1 3.71Å; L211-V232 HydrophobicContact CG-CB 4.35Å; L211-V232 HydrophobicContact CG-CG1 4.16Å
212	T	90.8	Very high	92.5	Very high	44 Å²	44	36.7 Å²	36.7	27%	0.27	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.7	-178.4	44.2	0	0	0	0	114.4	E210 F214 S215	E210-T212 PolarHBondContact O-N 3.31Å; E210-T212 VanDerWaalsContact O-N 3.17Å; E210-T212 PolarHBondContact OE1-OG1 2.81Å; T212-F214 PolarHBondContact O-N 3.46Å; T212-S215 WeakPolarHBondContact O-CB 3.46Å; T212-S215 PolarHBondContact O-N 3.37Å; T212-S215 VanDerWaalsContact O-N 3.09Å
213	A	84	Confident	92.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131	179.3	0	0	0	0	0	111.6	F186 Y209 E210 S215 V221	F186-A213 HydrophobicContact CZ-CB 4.44Å; F186-A213 WeakPolarHBondContact CZ-O 3.41Å; Y209-A213 HydrophobicContact CD2-CB 3.79Å; Y209-A213 HydrophobicContact CG-CB 4.19Å; E210-A213 HydrophobicContact CG-CB 4.15Å; E210-A213 VanDerWaalsContact O-CB 3.28Å; E210-A213 WeakPolarHBondContact O-CB 3.31Å; E210-A213 PolarHBondContact O-N 3.12Å; A213-S215 PolarHBondContact O-N 2.97Å; A213-V221 VanDerWaalsContact O-CG2 3.25Å; A213-V221 WeakPolarHBondContact O-CG2 3.43Å
214	F	82.5	Confident	92.5	Very high	15 Å²	15	41.4 Å²	41.4	7%	0.066	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.1	179.6	-58.6	-82.6	0	0	0	114.4	Q6 I179 M182 E185 F186 Y209 T212	Q6-F214 HydrophobicContact CB-CE1 4.1Å; Q6-F214 HydrophobicContact CB-CZ 4.13Å; Q6-F214 HydrophobicContact CG-CE1 4.34Å; Q6-F214 HydrophobicContact CG-CE2 4.1Å; Q6-F214 HydrophobicContact CG-CZ 3.93Å; Q6-F214 VanDerWaalsContact NE2-CE2 3.34Å; I179-F214 WeakPolarHBondContact CG1-O 3.24Å; I179-F214 PolarHBondContact N-O 3.33Å; M182-F214 HydrophobicContact CB-CB 4.26Å; M182-F214 HydrophobicContact CB-CD1 4.15Å; M182-F214 HydrophobicContact CB-CG 4.41Å; M182-F214 HydrophobicContact CG-CD1 3.98Å; M182-F214 HydrophobicContact SD-CD1 4.06Å; M182-F214 HydrophobicContact SD-CE1 4.16Å; E185-F214 HydrophobicContact CB-CD2 4.27Å; E185-F214 HydrophobicContact CB-CE2 4.26Å; E185-F214 HydrophobicContact CG-CD2 4.48Å; E185-F214 HydrophobicContact CG-CE1 4.43Å; E185-F214 HydrophobicContact CG-CE2 4.36Å; E185-F214 HydrophobicContact CG-CZ 4.33Å; F186-F214 HydrophobicContact CE2-CB 3.89Å; F186-F214 HydrophobicContact CE2-CD2 4.24Å; F186-F214 HydrophobicContact CE2-CG 4.41Å; F186-F214 HydrophobicContact CZ-CB 4.08Å; F186-F214 HydrophobicContact CZ-CD2 4.12Å; Y209-F214 HydrophobicContact CD2-CE2 4.46Å; Y209-F214 HydrophobicContact CE2-CD2 4.09Å; Y209-F214 AromaticContact CE2-CE2 3.6Å; Y209-F214 HydrophobicContact CE2-CE2 3.6Å; T212-F214 PolarHBondContact O-N 3.46Å
215	S	88.2	Confident	92.6	Very high	22 Å²	22	42.9 Å²	42.9	15%	0.154	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-78.3	129	177.2	-175.2	0	0	0	0	112.4	N177 T212 A213 N217 G218 K219	N177-S215 CarbonylContact O-C 3.57Å; N177-S215 WeakPolarHBondContact O-CA 3.24Å; T212-S215 WeakPolarHBondContact O-CB 3.46Å; T212-S215 PolarHBondContact O-N 3.37Å; T212-S215 VanDerWaalsContact O-N 3.09Å; A213-S215 PolarHBondContact O-N 2.97Å; S215-N217 VanDerWaalsContact C-N 3.31Å; S215-N217 PolarHBondContact OG-N 3.01Å; S215-N217 PolarHBondContact OG-OD1 3.48Å; S215-G218 PolarHBondContact OG-N 2.66Å; S215-K219 VanDerWaalsContact CB-O 3.29Å; S215-K219 WeakPolarHBondContact CB-O 3.31Å; S215-K219 PolarHBondContact OG-N 3.44Å; S215-K219 VanDerWaalsContact OG-N 3.14Å; S215-K219 PolarHBondContact OG-O 3.2Å
216	R	89.3	Confident	92.3	Very high	165 Å²	165	47.1 Å²	47.1	62%	0.623	24%	0.244	S	C	*	.	S	Bend	trans	-79.1	-13.2	175.3	75.6	179.2	179	165	1.8	114.3	K176 N177 V178 I179	K176-R216 PolarHBondContact O-NE 2.77Å; K176-R216 PolarHBondContact O-NH2 3.31Å; N177-R216 WeakPolarHBondContact O-CG 3.14Å; N177-R216 PolarHBondContact O-N 2.98Å; V178-R216 WeakPolarHBondContact O-CD 3.41Å; I179-R216 HydrophobicContact CG1-CB 3.85Å
217	N	92.5	Very high	91.7	Very high	69 Å²	69	52.1 Å²	52.1	37%	0.369	28%	0.276	S	S	.	.	S	Bend	trans	-138.5	13.1	-169.7	61.8	12.9	0	0	0	113.2	N177 S215 K219	N177-N217 PolarHBondContact OD1-ND2 3.42Å; S215-N217 VanDerWaalsContact C-N 3.31Å; S215-N217 PolarHBondContact OG-N 3.01Å; S215-N217 PolarHBondContact OG-OD1 3.48Å; N217-K219 PolarHBondContact O-N 3.14Å; N217-K219 VanDerWaalsContact O-N 3.12Å; N217-K219 VanDerWaalsContact OD1-CB 3.23Å; N217-K219 WeakPolarHBondContact OD1-CB 3.44Å; N217-K219 PolarHBondContact OD1-N 3.41Å
218	G	89.6	Confident	90.9	Very high	62 Å²	62	53.7 Å²	53.7	64%	0.639	29%	0.287	S	S	*	.	S	Bend	trans	68.6	0.4	-177.3	0	0	0	0	0	114.8	S215	S215-G218 PolarHBondContact OG-N 2.66Å
219	K	94.6	Very high	89.7	Confident	128 Å²	128	64.7 Å²	64.7	56%	0.557	33%	0.331	S	S	*	.	S	Bend	trans	-86.3	155.7	176	-57.6	-177.9	178.3	-179.5	0	110.3	S215 N217 V221	S215-K219 VanDerWaalsContact CB-O 3.29Å; S215-K219 WeakPolarHBondContact CB-O 3.31Å; S215-K219 PolarHBondContact OG-N 3.44Å; S215-K219 VanDerWaalsContact OG-N 3.14Å; S215-K219 PolarHBondContact OG-O 3.2Å; N217-K219 PolarHBondContact O-N 3.14Å; N217-K219 VanDerWaalsContact O-N 3.12Å; N217-K219 VanDerWaalsContact OD1-CB 3.23Å; N217-K219 WeakPolarHBondContact OD1-CB 3.44Å; N217-K219 PolarHBondContact OD1-N 3.41Å; K219-V221 PolarHBondContact O-N 2.97Å
220	P	94.4	Very high	88.9	Confident	60 Å²	60	65.9 Å²	65.9	39%	0.39	35%	0.345	S	S	.	.			trans	-52.8	130.6	175.9	-28.3	35.9	0	0	0	112.6	L174 N177 L211	L174-P220 WeakPolarHBondContact CD1-O 3.31Å; N177-P220 PolarHBondContact ND2-O 2.63Å; L211-P220 HydrophobicContact CB-CB 4.24Å; L211-P220 CarbonylContact O-C 3.54Å; L211-P220 VanDerWaalsContact O-CA 3.3Å; L211-P220 WeakPolarHBondContact O-CA 3.2Å
221	V	93.5	Very high	88.7	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.36	C	S	.	.	S	Bend	trans	-83.9	-24.5	167.8	173	0	0	0	0	110.9	V173 L174 N177 V178 F186 L211 A213 K219	V173-V221 CarbonylContact C-O 3.49Å; V173-V221 WeakPolarHBondContact CA-O 3.31Å; V173-V221 HydrophobicContact CG1-CG1 4.23Å; L174-V221 WeakPolarHBondContact CB-O 3.37Å; L174-V221 PolarHBondContact N-O 2.92Å; N177-V221 HydrophobicContact CB-CG2 4.07Å; V178-V221 HydrophobicContact CG2-CG1 3.5Å; V178-V221 HydrophobicContact CG2-CG2 4.47Å; F186-V221 HydrophobicContact CD1-CG1 4.05Å; F186-V221 HydrophobicContact CD2-CG1 4.34Å; F186-V221 HydrophobicContact CE1-CB 4.36Å; F186-V221 HydrophobicContact CE1-CG1 3.49Å; F186-V221 VanDerWaalsContact CE1-CG1 3.49Å; F186-V221 HydrophobicContact CE2-CG1 3.83Å; F186-V221 HydrophobicContact CG-CG1 4.45Å; F186-V221 HydrophobicContact CZ-CB 4.18Å; F186-V221 HydrophobicContact CZ-CG1 3.38Å; L211-V221 PolarHBondContact O-N 3.41Å; A213-V221 VanDerWaalsContact O-CG2 3.25Å; A213-V221 WeakPolarHBondContact O-CG2 3.43Å; K219-V221 PolarHBondContact O-N 2.97Å
222	M	95.6	Very high	88.6	Confident	1 Å²	1	68 Å²	68	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	173.5	-66.7	-176.4	-72.6	0	0	111.5	H162 V171 K172 F186 L211	H162-M222 HydrophobicContact CB-CE 4.28Å; H162-M222 HydrophobicContact CB-SD 3.61Å; V171-M222 HydrophobicContact CG2-SD 4.36Å; K172-M222 WeakPolarHBondContact O-CA 3.31Å; F186-M222 HydrophobicContact CD1-CG 4.46Å; F186-M222 HydrophobicContact CD1-SD 4.47Å; F186-M222 HydrophobicContact CE1-CE 4.47Å; F186-M222 HydrophobicContact CE1-CG 4.31Å; F186-M222 HydrophobicContact CE1-SD 4.41Å; L211-M222 HydrophobicContact CD2-CB 3.93Å; L211-M222 PolarHBondContact O-N 3.22Å
223	E	95.7	Very high	88.7	Confident	91 Å²	91	66.6 Å²	66.6	43%	0.425	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.6	172.1	-180	-176.9	-177.6	0	0	109.1	V171 K172 L174	V171-E223 CarbonylContact C-O 3.56Å; V171-E223 VanDerWaalsContact CA-O 3.25Å; V171-E223 WeakPolarHBondContact CA-O 3.49Å; K172-E223 HydrophobicContact CB-CB 4.43Å; K172-E223 PolarHBondContact N-O 3.07Å; K172-E223 PolarHBondContact O-N 3.19Å; L174-E223 HydrophobicContact CD1-CB 4.17Å; L174-E223 HydrophobicContact CD2-CB 4.4Å; L174-E223 HydrophobicContact CG-CB 4.26Å
224	L	95.5	Very high	89.2	Confident	53 Å²	53	67.6 Å²	67.6	28%	0.277	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.4	176.8	-55	-174.7	0	0	0	110.2	V171 Y203 L211 V232	V171-L224 HydrophobicContact CG1-CD2 3.76Å; Y203-L224 HydrophobicContact CD1-CD2 3.91Å; Y203-L224 HydrophobicContact CE1-CD2 3.67Å; L211-L224 HydrophobicContact CD2-CD2 3.92Å; L211-L224 HydrophobicContact CD2-CG 4.4Å; L224-V232 HydrophobicContact CD1-CG2 4.04Å; L224-V232 HydrophobicContact CD2-CG2 4.23Å
225	L	95.3	Very high	89.7	Confident	85 Å²	85	69.3 Å²	69.3	45%	0.445	36%	0.36	S	S	.	.	S	Bend	trans	-87.4	-10.9	178.4	-63.2	177.2	0	0	0	112.9	D168 Y170 K172	D168-L225 WeakPolarHBondContact O-CD1 3.46Å; Y170-L225 WeakPolarHBondContact O-CB 3.35Å; Y170-L225 PolarHBondContact O-N 3.48Å; K172-L225 HydrophobicContact CB-CD1 4.31Å; K172-L225 HydrophobicContact CB-CD2 3.92Å; K172-L225 HydrophobicContact CB-CG 4.18Å
226	K	90	Very high	89.9	Confident	89 Å²	89	69.8 Å²	69.8	39%	0.387	37%	0.369	S	S	.	.	S	Bend	trans	-138.3	153.1	176.2	-60.9	179.2	-178.9	172.2	0	109.1	R169 Y170 S228	R169-K226 VanDerWaalsContact O-CE 3.31Å; R169-K226 WeakPolarHBondContact O-CE 3.39Å; Y170-K226 HydrophobicContact CD1-CD 4.32Å; Y170-K226 HydrophobicContact CE1-CD 4.5Å; K226-S228 PolarHBondContact O-N 2.89Å
227	P	83.7	Confident	90.2	Very high	105 Å²	105	62.2 Å²	62.2	68%	0.682	34%	0.342	S	S	*	.			trans	-53.1	130.8	171.4	-24.2	33.8	0	0	0	110.9
228	S	78.8	Confident	90.4	Very high	34 Å²	34	59.6 Å²	59.6	24%	0.238	33%	0.328	C	S	.	.			trans	-90.9	134.3	166.7	176.8	0	0	0	0	108.6	Y203 K226 G230	Y203-S228 VanDerWaalsContact CB-OG 3.25Å; Y203-S228 WeakPolarHBondContact CB-OG 3.24Å; K226-S228 PolarHBondContact O-N 2.89Å; S228-G230 VanDerWaalsContact C-N 3.32Å; S228-G230 PolarHBondContact OG-N 2.87Å; S228-G230 PolarHBondContact OG-O 2.8Å
229	Y	71.2	Confident	90.8	Very high	232 Å²	232	57 Å²	57	91%	0.91	30%	0.3	S	S	*	.	S	Bend	trans	-92.5	6.3	168.7	-63.1	-79.7	0	0	0	112.2
230	G	75.7	Confident	90.8	Very high	31 Å²	31	54.4 Å²	54.4	32%	0.32	30%	0.302	S	S	.	.	S	Bend	trans	-136.9	178	-177.8	0	0	0	0	0	113.7	S228	S228-G230 VanDerWaalsContact C-N 3.32Å; S228-G230 PolarHBondContact OG-N 2.87Å; S228-G230 PolarHBondContact OG-O 2.8Å
231	E	88.1	Confident	90.8	Very high	115 Å²	115	52.4 Å²	52.4	54%	0.537	29%	0.29	S	S	.	.			trans	-93.9	108.6	-174.7	-173.9	174.2	-171.5	0	0	110.6	N204 G233 Q234	N204-E231 PolarHBondContact OD1-N 2.68Å; N204-E231 PolarHBondContact OD1-O 2.95Å; E231-G233 PolarHBondContact O-N 2.8Å; E231-Q234 HydrophobicContact CB-CB 4.15Å; E231-Q234 HydrophobicContact CG-CB 4.16Å; E231-Q234 WeakPolarHBondContact O-CB 2.84Å; E231-Q234 WeakPolarHBondContact O-CG 3.2Å; E231-Q234 PolarHBondContact O-N 2.86Å
232	V	92.2	Very high	91	Very high	26 Å²	26	52.4 Å²	52.4	16%	0.158	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	126	-178.3	-172.6	0	0	0	0	110.3	Y203 H208 Y209 L211 L224	Y203-V232 HydrophobicContact CD1-CG2 4.25Å; Y203-V232 HydrophobicContact CG-CG2 4.47Å; Y203-V232 WeakPolarHBondContact O-CA 3.09Å; H208-V232 WeakPolarHBondContact CE1-CG1 3.44Å; H208-V232 VanDerWaalsContact ND1-CG1 3.27Å; H208-V232 WeakPolarHBondContact ND1-CG1 3.4Å; Y209-V232 WeakPolarHBondContact O-CG1 3.29Å; L211-V232 HydrophobicContact CD2-CB 4.29Å; L211-V232 HydrophobicContact CD2-CG1 3.71Å; L211-V232 HydrophobicContact CG-CB 4.35Å; L211-V232 HydrophobicContact CG-CG1 4.16Å; L224-V232 HydrophobicContact CD1-CG2 4.04Å; L224-V232 HydrophobicContact CD2-CG2 4.23Å
233	G	92	Very high	91.1	Very high	16 Å²	16	53.5 Å²	53.5	17%	0.165	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	12.4	-176.9	0	0	0	0	0	114.1	H208 E231 R235	H208-G233 WeakPolarHBondContact O-CA 3.49Å; E231-G233 PolarHBondContact O-N 2.8Å; G233-R235 PolarHBondContact O-NH1 3.2Å
234	Q	94	Very high	91.1	Very high	20 Å²	20	54 Å²	54	9%	0.093	30%	0.299	C	S	.	.			trans	-56.3	146.4	176.5	71.1	83	15.2	0	0	112	N204 E231 G237	N204-Q234 WeakPolarHBondContact O-CG 3.13Å; N204-Q234 PolarHBondContact O-NE2 3Å; E231-Q234 HydrophobicContact CB-CB 4.15Å; E231-Q234 HydrophobicContact CG-CB 4.16Å; E231-Q234 WeakPolarHBondContact O-CB 2.84Å; E231-Q234 WeakPolarHBondContact O-CG 3.2Å; E231-Q234 PolarHBondContact O-N 2.86Å; Q234-G237 PolarHBondContact NE2-O 3.16Å; Q234-G237 PolarHBondContact OE1-O 3.44Å
235	R	93	Very high	91	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	29%	0.286	C	S	.	.			trans	-131.3	36.5	175.6	-64.9	-65.3	-177.7	-87.5	5.9	111	G146 V147 V206 H208 G233	G146-R235 VanDerWaalsContact CA-O 3.24Å; G146-R235 WeakPolarHBondContact CA-O 3.47Å; G146-R235 PolarHBondContact N-O 3.5Å; V147-R235 HydrophobicContact CG2-CG 4.41Å; V206-R235 PolarHBondContact O-NH1 2.71Å; V206-R235 VanDerWaalsContact O-NH1 3.14Å; H208-R235 PolarHBondContact O-NH1 3.27Å; G233-R235 PolarHBondContact O-NH1 3.2Å
236	G	93	Very high	91.1	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	26%	0.264	S	S	.	.	S	Bend	trans	-85.2	-17	176.5	0	0	0	0	0	114.5
237	G	95.7	Very high	91.3	Very high	5 Å²	5	45.2 Å²	45.2	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	139.1	-168.5	-176.5	0	0	0	0	0	111.7	V206 Q234	V206-G237 WeakPolarHBondContact CB-O 3.11Å; Q234-G237 PolarHBondContact NE2-O 3.16Å; Q234-G237 PolarHBondContact OE1-O 3.44Å
238	L	97.5	Very high	91.7	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.079	25%	0.252	C	S	.	.			trans	-64.4	133.4	178.9	-66.1	174.4	0	0	0	111.3	E94 I95 K98 V149 M153 V206 D242 V243 I246	E94-L238 WeakPolarHBondContact OE1-CB 3.42Å; E94-L238 PolarHBondContact OE1-N 3.23Å; I95-L238 HydrophobicContact CG1-CD1 4.05Å; K98-L238 HydrophobicContact CD-CD1 4.45Å; V149-L238 HydrophobicContact CG1-CD2 3.61Å; V149-L238 HydrophobicContact CG1-CG 3.7Å; M153-L238 HydrophobicContact SD-CD2 3.72Å; V206-L238 HydrophobicContact CG1-CD2 4.18Å; L238-D242 HydrophobicContact CB-CB 4.21Å; L238-D242 HydrophobicContact CD2-CB 3.85Å; L238-V243 HydrophobicContact CB-CG2 3.88Å; L238-V243 HydrophobicContact CD1-CG2 3.93Å; L238-I246 HydrophobicContact CD1-CD1 4.17Å; L238-I246 HydrophobicContact CD2-CD1 3.96Å
239	S	96.7	Very high	92.4	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.049	24%	0.241	C	C	.	.			trans	-69.1	162.3	165.5	96.8	0	0	0	0	110.9	D202 N204 S241 D242 V243	D202-S239 VanDerWaalsContact OD2-CB 3.31Å; D202-S239 WeakPolarHBondContact OD2-CB 3.2Å; D202-S239 PolarHBondContact OD2-OG 2.95Å; N204-S239 VanDerWaalsContact O-CB 3.31Å; N204-S239 WeakPolarHBondContact O-CB 3.25Å; S239-S241 PolarHBondContact O-N 2.96Å; S239-S241 WeakPolarHBondContact OG-CB 3.3Å; S239-S241 PolarHBondContact OG-N 2.52Å; S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 PolarHBondContact N-OD2 3.09Å; S239-D242 PolarHBondContact O-N 3.48Å; S239-D242 PolarHBondContact OG-N 2.8Å; S239-D242 PolarHBondContact OG-OD2 3.17Å; S239-V243 WeakPolarHBondContact O-CG2 3.44Å; S239-V243 PolarHBondContact O-N 3.35Å; S239-V243 VanDerWaalsContact O-N 3.11Å
240	A	95.2	Very high	93.5	Very high	74 Å²	74	36.3 Å²	36.3	61%	0.612	20%	0.203	S	C	*	.	H	α-helix	trans	-60.1	-29.1	171.7	0	0	0	0	0	112.7	Q244	A240-Q244 VanDerWaalsContact O-CG 3.25Å; A240-Q244 WeakPolarHBondContact O-CG 3.42Å; A240-Q244 PolarHBondContact O-N 3.1Å; A240-Q244 PolarHBondContact O-NE2 3Å
241	S	94.8	Very high	94.2	Very high	18 Å²	18	40.6 Å²	40.6	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-75.5	-40.6	175.5	-162.2	0	0	0	0	110.9	D202 S239 V243 Q244 K245	D202-S241 WeakPolarHBondContact OD2-CB 3.42Å; S239-S241 PolarHBondContact O-N 2.96Å; S239-S241 WeakPolarHBondContact OG-CB 3.3Å; S239-S241 PolarHBondContact OG-N 2.52Å; S241-V243 VanDerWaalsContact C-N 3.34Å; S241-V243 PolarHBondContact O-N 3.21Å; S241-Q244 PolarHBondContact O-N 2.81Å; S241-Q244 VanDerWaalsContact O-N 3.13Å; S241-K245 WeakPolarHBondContact O-CB 3.45Å; S241-K245 VanDerWaalsContact O-CG 3.25Å; S241-K245 WeakPolarHBondContact O-CG 3.37Å; S241-K245 PolarHBondContact O-N 3.09Å
242	D	97.3	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-47.2	176.7	-63.2	-30.9	0	0	0	111	M153 S205 V206 L238 S239 Q244 K245 I246	M153-D242 HydrophobicContact CE-CB 3.79Å; M153-D242 HydrophobicContact SD-CB 3.89Å; S205-D242 WeakPolarHBondContact CA-OD2 3.45Å; S205-D242 WeakPolarHBondContact CB-OD1 3.41Å; S205-D242 PolarHBondContact OG-OD1 2.89Å; S205-D242 PolarHBondContact OG-OD2 3.37Å; V206-D242 PolarHBondContact N-OD2 3.29Å; L238-D242 HydrophobicContact CB-CB 4.21Å; L238-D242 HydrophobicContact CD2-CB 3.85Å; S239-D242 WeakPolarHBondContact CB-OD2 3.49Å; S239-D242 PolarHBondContact N-OD2 3.09Å; S239-D242 PolarHBondContact O-N 3.48Å; S239-D242 PolarHBondContact OG-N 2.8Å; S239-D242 PolarHBondContact OG-OD2 3.17Å; D242-Q244 VanDerWaalsContact C-N 3.33Å; D242-Q244 PolarHBondContact O-N 2.83Å; D242-K245 WeakPolarHBondContact O-CB 3.28Å; D242-K245 PolarHBondContact O-N 2.96Å; D242-I246 WeakPolarHBondContact O-CG1 3.39Å; D242-I246 PolarHBondContact O-N 3.31Å
243	V	97.1	Very high	94	Very high	24 Å²	24	46 Å²	46	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-56.2	-46.8	174.4	173.4	0	0	0	0	111.6	K98 T99 L238 S239 S241 I246 N247	K98-V243 HydrophobicContact CB-CG1 3.98Å; K98-V243 HydrophobicContact CB-CG2 3.78Å; K98-V243 HydrophobicContact CD-CG2 3.8Å; K98-V243 HydrophobicContact CG-CG2 4.34Å; K98-V243 VanDerWaalsContact O-CG1 3.23Å; K98-V243 WeakPolarHBondContact O-CG1 3.03Å; T99-V243 HydrophobicContact CG2-CG1 4.44Å; L238-V243 HydrophobicContact CB-CG2 3.88Å; L238-V243 HydrophobicContact CD1-CG2 3.93Å; S239-V243 WeakPolarHBondContact O-CG2 3.44Å; S239-V243 PolarHBondContact O-N 3.35Å; S239-V243 VanDerWaalsContact O-N 3.11Å; S241-V243 VanDerWaalsContact C-N 3.34Å; S241-V243 PolarHBondContact O-N 3.21Å; V243-I246 PolarHBondContact O-N 3.21Å; V243-N247 WeakPolarHBondContact CG1-ND2 3.42Å; V243-N247 VanDerWaalsContact O-CB 3.31Å; V243-N247 WeakPolarHBondContact O-CB 3.49Å; V243-N247 VanDerWaalsContact O-CG 3.3Å; V243-N247 PolarHBondContact O-N 3.13Å; V243-N247 PolarHBondContact O-ND2 2.72Å
244	Q	95.3	Very high	92.4	Very high	101 Å²	101	54.2 Å²	54.2	47%	0.472	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-38.7	-179.4	-71.1	171.9	60.7	0	0	112.2	F199 A240 S241 D242 N247 R248	F199-Q244 HydrophobicContact CD1-CB 4.35Å; F199-Q244 HydrophobicContact CE1-CB 3.46Å; F199-Q244 VanDerWaalsContact CE1-CB 3.46Å; F199-Q244 HydrophobicContact CE1-CG 4.35Å; F199-Q244 HydrophobicContact CE2-CB 4.47Å; F199-Q244 HydrophobicContact CZ-CB 3.54Å; A240-Q244 VanDerWaalsContact O-CG 3.25Å; A240-Q244 WeakPolarHBondContact O-CG 3.42Å; A240-Q244 PolarHBondContact O-N 3.1Å; A240-Q244 PolarHBondContact O-NE2 3Å; S241-Q244 PolarHBondContact O-N 2.81Å; S241-Q244 VanDerWaalsContact O-N 3.13Å; D242-Q244 VanDerWaalsContact C-N 3.33Å; D242-Q244 PolarHBondContact O-N 2.83Å; Q244-N247 PolarHBondContact O-N 2.96Å; Q244-R248 VanDerWaalsContact O-CB 3.27Å; Q244-R248 WeakPolarHBondContact O-CB 3.41Å; Q244-R248 PolarHBondContact O-N 3.42Å
245	K	95.1	Very high	90.1	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-50.3	174.9	-74.7	169.8	-177	172	0	110.5	F158 E161 L197 F199 S241 D242 N247 R248 L249	F158-K245 HydrophobicContact CE1-CB 3.64Å; F158-K245 HydrophobicContact CE1-CD 4.39Å; F158-K245 HydrophobicContact CE1-CG 4.44Å; F158-K245 HydrophobicContact CZ-CB 3.84Å; E161-K245 IonicContact OE1-NZ 3.78Å; E161-K245 PolarHBondContact OE1-NZ 3.46Å; E161-K245 IonicContact OE2-NZ 3.86Å; E161-K245 PolarHBondContact OE2-NZ 3.48Å; L197-K245 HydrophobicContact CD1-CB 4.46Å; L197-K245 VanDerWaalsContact CD1-O 3.23Å; L197-K245 WeakPolarHBondContact CD1-O 3.49Å; F199-K245 HydrophobicContact CB-CG 4.13Å; F199-K245 HydrophobicContact CD2-CB 4.38Å; F199-K245 HydrophobicContact CD2-CG 3.55Å; F199-K245 HydrophobicContact CE2-CG 4.15Å; F199-K245 HydrophobicContact CG-CG 3.86Å; S241-K245 WeakPolarHBondContact O-CB 3.45Å; S241-K245 VanDerWaalsContact O-CG 3.25Å; S241-K245 WeakPolarHBondContact O-CG 3.37Å; S241-K245 PolarHBondContact O-N 3.09Å; D242-K245 WeakPolarHBondContact O-CB 3.28Å; D242-K245 PolarHBondContact O-N 2.96Å; K245-N247 PolarHBondContact O-N 2.69Å; K245-R248 PolarHBondContact O-N 2.9Å; K245-L249 WeakPolarHBondContact O-CB 3.25Å; K245-L249 PolarHBondContact O-N 3.37Å
246	I	95.8	Very high	87.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.8	-50	176.5	-66	163.9	0	0	0	110.1	T99 L101 M153 F158 L238 D242 V243 R248 L249 Y250	T99-I246 HydrophobicContact CG2-CB 4Å; T99-I246 HydrophobicContact CG2-CD1 4.32Å; T99-I246 HydrophobicContact CG2-CG2 3.68Å; L101-I246 HydrophobicContact CD1-CG2 3.5Å; L101-I246 HydrophobicContact CG-CG2 3.96Å; M153-I246 HydrophobicContact CE-CD1 4.46Å; M153-I246 HydrophobicContact CE-CG1 4.37Å; M153-I246 HydrophobicContact CG-CD1 4.4Å; M153-I246 HydrophobicContact SD-CD1 4.26Å; F158-I246 HydrophobicContact CD2-CG1 4.32Å; F158-I246 HydrophobicContact CE2-CB 4.38Å; F158-I246 HydrophobicContact CE2-CG1 3.59Å; F158-I246 HydrophobicContact CZ-CG1 4.1Å; L238-I246 HydrophobicContact CD1-CD1 4.17Å; L238-I246 HydrophobicContact CD2-CD1 3.96Å; D242-I246 WeakPolarHBondContact O-CG1 3.39Å; D242-I246 PolarHBondContact O-N 3.31Å; V243-I246 PolarHBondContact O-N 3.21Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 3.17Å; I246-L249 PolarHBondContact O-N 3.19Å; I246-L249 VanDerWaalsContact O-N 3.09Å; I246-Y250 HydrophobicContact CG2-CD2 4.12Å; I246-Y250 PolarHBondContact O-N 2.9Å
247	N	94.9	Very high	84.6	Confident	41 Å²	41	70.4 Å²	70.4	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-38.1	-179.4	-78.7	-39.5	0	0	0	112.8	K98 T99 C100 V243 Q244 K245 N251 C252	K98-N247 PolarHBondContact O-ND2 3.2Å; K98-N247 VanDerWaalsContact O-ND2 3.11Å; T99-N247 WeakPolarHBondContact CA-OD1 3.32Å; T99-N247 WeakPolarHBondContact CB-OD1 2.95Å; C100-N247 PolarHBondContact N-OD1 2.81Å; V243-N247 WeakPolarHBondContact CG1-ND2 3.42Å; V243-N247 VanDerWaalsContact O-CB 3.31Å; V243-N247 WeakPolarHBondContact O-CB 3.49Å; V243-N247 VanDerWaalsContact O-CG 3.3Å; V243-N247 PolarHBondContact O-N 3.13Å; V243-N247 PolarHBondContact O-ND2 2.72Å; Q244-N247 PolarHBondContact O-N 2.96Å; K245-N247 PolarHBondContact O-N 2.69Å; N247-N251 PolarHBondContact O-N 3.24Å; N247-N251 VanDerWaalsContact O-N 3.14Å; N247-C252 VanDerWaalsContact CA-SG 3.59Å; N247-C252 HydrophobicContact CB-CB 3.91Å; N247-C252 PolarHBondContact O-N 3.45Å; N247-C252 WeakPolarHBondContact OD1-CB 3.25Å; N247-C252 PolarHBondContact OD1-SG 3.3Å
248	R	93.1	Very high	81.5	Confident	157 Å²	157	73.7 Å²	73.7	59%	0.592	38%	0.38	S	S	*	.	H	α-helix	trans	-70	-40.4	175	178.8	64.7	86.6	135.6	10.5	111.8	L197 F199 Q244 K245 I246 Y250 N251	L197-R248 HydrophobicContact CB-CB 4.39Å; L197-R248 HydrophobicContact CB-CG 3.74Å; L197-R248 HydrophobicContact CD1-CB 4.35Å; L197-R248 HydrophobicContact CD1-CG 4.35Å; L197-R248 HydrophobicContact CG-CG 4.46Å; F199-R248 HydrophobicContact CE2-CB 3.89Å; F199-R248 HydrophobicContact CE2-CG 4.21Å; F199-R248 HydrophobicContact CZ-CB 4.34Å; Q244-R248 VanDerWaalsContact O-CB 3.27Å; Q244-R248 WeakPolarHBondContact O-CB 3.41Å; Q244-R248 PolarHBondContact O-N 3.42Å; K245-R248 PolarHBondContact O-N 2.9Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 3.17Å; R248-Y250 VanDerWaalsContact C-N 3.35Å; R248-N251 PolarHBondContact O-N 3.21Å; R248-N251 PolarHBondContact O-OD1 2.8Å
249	L	92.3	Very high	78.4	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.005	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-41.3	179.7	-172	65.3	0	0	0	111.6	A59 R66 F158 L197 K245 I246	A59-L249 HydrophobicContact CB-CD1 4.03Å; A59-L249 HydrophobicContact CB-CD2 4.28Å; R66-L249 VanDerWaalsContact CZ-CD1 3.44Å; R66-L249 PolarHBondContact NH1-O 3.46Å; F158-L249 HydrophobicContact CD2-CD2 4.45Å; F158-L249 HydrophobicContact CE2-CD2 3.64Å; F158-L249 HydrophobicContact CZ-CB 4.11Å; F158-L249 HydrophobicContact CZ-CD2 3.7Å; L197-L249 HydrophobicContact CD1-CB 3.79Å; L197-L249 HydrophobicContact CD1-CD1 4.19Å; L197-L249 HydrophobicContact CD2-CD1 4.08Å; K245-L249 WeakPolarHBondContact O-CB 3.25Å; K245-L249 PolarHBondContact O-N 3.37Å; I246-L249 PolarHBondContact O-N 3.19Å; I246-L249 VanDerWaalsContact O-N 3.09Å
250	Y	93.8	Very high	75.4	Confident	26 Å²	26	91 Å²	91	10%	0.102	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.8	-177.7	-75.4	-88.5	0	0	0	113.9	R66 W67 L101 T156 I246 R248 C252	R66-Y250 HydrophobicContact CB-CE1 4.08Å; W67-Y250 HydrophobicContact CB-CE1 4.06Å; W67-Y250 PolarHBondContact N-OH 3.09Å; L101-Y250 HydrophobicContact CD1-CD2 4.29Å; L101-Y250 HydrophobicContact CD1-CE2 4.2Å; L101-Y250 HydrophobicContact CD2-CD1 3.44Å; L101-Y250 VanDerWaalsContact CD2-CD1 3.44Å; L101-Y250 HydrophobicContact CD2-CD2 3.72Å; L101-Y250 HydrophobicContact CD2-CE1 3.62Å; L101-Y250 HydrophobicContact CD2-CE2 3.9Å; L101-Y250 HydrophobicContact CD2-CG 3.5Å; L101-Y250 VanDerWaalsContact CD2-CG 3.5Å; L101-Y250 HydrophobicContact CG-CD2 4.28Å; L101-Y250 HydrophobicContact CG-CG 4.36Å; T156-Y250 WeakPolarHBondContact O-CE2 3.5Å; T156-Y250 PolarHBondContact O-OH 2.95Å; I246-Y250 HydrophobicContact CG2-CD2 4.12Å; I246-Y250 PolarHBondContact O-N 2.9Å; R248-Y250 VanDerWaalsContact C-N 3.35Å; Y250-C252 PolarHBondContact O-N 3.22Å; Y250-C252 VanDerWaalsContact O-N 3.14Å
251	N	92	Very high	72.3	Confident	122 Å²	122	94.3 Å²	94.3	65%	0.652	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.9	-177.9	-64.7	-38.1	0	0	0	112.7	N247 R248 R253	N247-N251 PolarHBondContact O-N 3.24Å; N247-N251 VanDerWaalsContact O-N 3.14Å; R248-N251 PolarHBondContact O-N 3.21Å; R248-N251 PolarHBondContact O-OD1 2.8Å; N251-R253 PolarHBondContact O-N 3.11Å
252	C	92.1	Very high	69.6	Low	22 Å²	22	104 Å²	104	15%	0.149	50%	0.503	C	S	.	.			trans	-58.8	114.3	178.7	-60.9	0	0	0	0	108.1	C100 N247 Y250 K254	C100-C252 HydrophobicContact CB-CB 3.5Å; C100-C252 WeakPolarHBondContact CB-SG 3.4Å; C100-C252 PolarHBondContact N-SG 3.24Å; C100-C252 WeakPolarHBondContact SG-CA 3.16Å; C100-C252 WeakPolarHBondContact SG-CB 3.23Å; C100-C252 CovalentContact SG-SG 2.02Å; C100-C252 PolarHBondContact SG-SG 3.04Å; N247-C252 VanDerWaalsContact CA-SG 3.59Å; N247-C252 HydrophobicContact CB-CB 3.91Å; N247-C252 PolarHBondContact O-N 3.45Å; N247-C252 WeakPolarHBondContact OD1-CB 3.25Å; N247-C252 PolarHBondContact OD1-SG 3.3Å; Y250-C252 PolarHBondContact O-N 3.22Å; Y250-C252 VanDerWaalsContact O-N 3.14Å; C252-K254 PolarHBondContact O-N 2.91Å; C252-K254 VanDerWaalsContact O-N 3.15Å
253	R	83.5	Confident	66.5	Low	232 Å²	232	113.6 Å²	113.6	88%	0.875	55%	0.545	S	S	*	.			trans	-58.1	125.9	170.7	-65.3	-177.6	-177.7	-173.9	1	105.2	N251 Q255	N251-R253 PolarHBondContact O-N 3.11Å; R253-Q255 PolarHBondContact O-N 3.02Å
254	K	59	Low	63.5	Low	189 Å²	189	121.2 Å²	121.2	82%	0.822	58%	0.579	S	S	*	*			trans	-47.2	124.7	159.8	-71.1	-173.8	177.4	-175.4	0	104.2	C252 T256	C252-K254 PolarHBondContact O-N 2.91Å; C252-K254 VanDerWaalsContact O-N 3.15Å; K254-T256 PolarHBondContact O-N 2.79Å; K254-T256 PolarHBondContact O-OG1 2.99Å
255	Q	44.6	Very low	60.4	Low	176 Å²	176	125.8 Å²	125.8	82%	0.822	60%	0.6	S	S	*	*			trans	-59.5	92.7	168.4	-69.6	-169.2	42.5	0	0	104.7	R253 T257	R253-Q255 PolarHBondContact O-N 3.02Å; Q255-T257 PolarHBondContact O-N 3.17Å
256	T	36.5	Very low	57.4	Low	117 Å²	117	129.3 Å²	129.3	72%	0.718	64%	0.637	S	S	*	*			trans	-62.2	111.9	167.5	-14.2	0	0	0	0	102.3	K254 A258	K254-T256 PolarHBondContact O-N 2.79Å; K254-T256 PolarHBondContact O-OG1 2.99Å; T256-A258 PolarHBondContact O-N 2.77Å
257	T	33.5	Very low	54.6	Low	150 Å²	150	137.2 Å²	137.2	92%	0.92	68%	0.679	S	S	*	*			trans	-48	87.5	163.3	24.8	0	0	0	0	108.2	Q255	Q255-T257 PolarHBondContact O-N 3.17Å
258	A	31.1	Very low	52	Low	75 Å²	75	144 Å²	144	62%	0.62	71%	0.709	S	S	*	*			trans	-150.8	53.8	-175.7	0	0	0	0	0	109.1	T256	T256-A258 PolarHBondContact O-N 2.77Å
259	L	33.6	Very low	49.8	Very low	163 Å²	163	144 Å²	144	85%	0.853	72%	0.72	S	S	*	*	S	Bend	trans	-164.8	58.6	155.7	-89.5	-175.6	0	0	0	109.1
260	Y	33.1	Very low	47.6	Very low	221 Å²	221	147.9 Å²	147.9	87%	0.867	75%	0.746	S	S	*	*			trans	-140.8	77.1	155.1	-96.9	-85.8	0	0	0	108.1	R262	Y260-R262 PolarHBondContact O-N 3.04Å; Y260-R262 VanDerWaalsContact O-N 3.14Å
261	T	29.6	Very low	45.4	Very low	145 Å²	145	151.3 Å²	151.3	89%	0.89	78%	0.78	S	S	*	*			trans	-75.4	84	153.7	46.6	0	0	0	0	107.6
262	R	38.8	Very low	43.6	Very low	222 Å²	222	150.6 Å²	150.6	84%	0.838	77%	0.774	S	S	*	*			trans	-131.6	132.9	150.8	-97.1	-171	-172.4	-176.8	3.5	107.9	Y260	Y260-R262 PolarHBondContact O-N 3.04Å; Y260-R262 VanDerWaalsContact O-N 3.14Å
263	K	31.4	Very low	41.6	Very low	200 Å²	200	151.8 Å²	151.8	87%	0.87	78%	0.783	S	S	*	*			trans	-44.2	137.4	178.1	-67.3	173.9	171.7	-177.5	0	111.4
264	E	34	Very low	40.5	Very low	184 Å²	184	145.8 Å²	145.8	86%	0.86	77%	0.774	S	S	*	*			trans	9.4	113.4	152.6	-62.8	174.2	153.2	0	0	116.9
265	E	31.5	Very low	40.9	Very low	197 Å²	197	145.5 Å²	145.5	92%	0.921	78%	0.776	S	S	*	*				-169.4	124.6	124.6	-101.8	167.1	-172.7	0	0	107.7
266	G	31.7	Very low	42.3	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	76%	0.758	S	S	*	*			trans	-67	146	-169.3	0	0	0	0	0	113.8
267	N	35.9	Very low	44.6	Very low	167 Å²	167	137.9 Å²	137.9	89%	0.893	74%	0.743	S	S	*	*			trans	-134.2	80.8	155.9	-112.1	-6.7	0	0	0	107.5	L269	N267-L269 PolarHBondContact O-N 3.17Å
268	E	40.6	Very low	47.2	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-51.1	131.4	151.6	-101.5	172.1	145.1	0	0	107.7	P270	E268-P270 VanDerWaalsContact O-N 3.14Å
269	L	47.6	Very low	49.9	Very low	157 Å²	157	134.4 Å²	134.4	82%	0.822	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-50.1	123.9	162	-83.9	156.4	0	0	0	106.6	N267 A271	N267-L269 PolarHBondContact O-N 3.17Å; L269-A271 PolarHBondContact O-N 2.91Å
270	P	45.3	Very low	52.3	Low	84 Å²	84	130.4 Å²	130.4	55%	0.545	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-57.3	130.4	-174.2	22.4	-30.7	0	0	0	107.9	E268 I272	E268-P270 VanDerWaalsContact O-N 3.14Å; P270-I272 PolarHBondContact O-N 3.05Å
271	A	47.8	Very low	54.6	Low	98 Å²	98	121 Å²	121	81%	0.81	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-52.1	120.4	170.2	0	0	0	0	0	107.4	L269 S273	L269-A271 PolarHBondContact O-N 2.91Å; A271-S273 VanDerWaalsContact C-N 3.35Å; A271-S273 PolarHBondContact O-N 3.4Å
272	I	53.3	Low	57.2	Low	106 Å²	106	118.1 Å²	118.1	54%	0.544	65%	0.649	S	S	.	*			trans	-59.3	100.7	178.8	-61.4	168.4	0	0	0	106.7	P270 P274	P270-I272 PolarHBondContact O-N 3.05Å; I272-P274 WeakPolarHBondContact O-CD 3.5Å
273	S	51.5	Low	59.4	Low	47 Å²	47	112.4 Å²	112.4	33%	0.329	63%	0.632	S	S	.	*			trans	-68.8	122.3	167.7	165.1	0	0	0	0	107.2	A271 E275	A271-S273 VanDerWaalsContact C-N 3.35Å; A271-S273 PolarHBondContact O-N 3.4Å; S273-E275 PolarHBondContact O-N 2.66Å; S273-E275 VanDerWaalsContact O-N 3.08Å; S273-E275 PolarHBondContact OG-N 3.14Å
274	P	60.6	Low	61.8	Low	107 Å²	107	103 Å²	103	70%	0.695	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	173.9	-21.8	33	0	0	0	112.9	I272	I272-P274 WeakPolarHBondContact O-CD 3.5Å
275	E	67.1	Low	64.3	Low	182 Å²	182	96.9 Å²	96.9	85%	0.85	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-17.5	-168	-69.6	156.8	167	0	0	114.2	S273	S273-E275 PolarHBondContact O-N 2.66Å; S273-E275 VanDerWaalsContact O-N 3.08Å; S273-E275 PolarHBondContact OG-N 3.14Å
276	V	73.2	Confident	66.5	Low	75 Å²	75	91.1 Å²	91.1	46%	0.455	55%	0.546	S	S	.	.			trans	-107.6	118.1	-178.9	-173.3	0	0	0	0	111	E278 R307	V276-E278 HydrophobicContact CG1-CB 4.34Å; V276-E278 HydrophobicContact CG1-CG 4.09Å; V276-R307 PolarHBondContact O-NH1 3.5Å
277	C	85.4	Confident	69	Low	59 Å²	59	89.7 Å²	89.7	40%	0.399	52%	0.517	S	S	.	.			trans	-90.9	95.6	175.4	171.5	0	0	0	0	110.2	C313	C277-C313 HydrophobicContact CB-CB 3.74Å; C277-C313 WeakPolarHBondContact CB-SG 3Å; C277-C313 WeakPolarHBondContact SG-CB 2.98Å; C277-C313 CovalentContact SG-SG 2Å; C277-C313 PolarHBondContact SG-SG 3.18Å
278	E	88.5	Confident	71.3	Confident	101 Å²	101	85.9 Å²	85.9	47%	0.472	50%	0.496	S	S	.	.			trans	-142.2	165.8	179.4	66.6	-176.3	176.2	0	0	113.3	V276 L280	V276-E278 HydrophobicContact CG1-CB 4.34Å; V276-E278 HydrophobicContact CG1-CG 4.09Å; E278-L280 HydrophobicContact CG-CD2 4.05Å
279	D	87.7	Confident	73.3	Confident	50 Å²	50	85.3 Å²	85.3	27%	0.267	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-95.3	126.7	170	-70	-33	0	0	0	108.9	C284 C306 R307 K308 S309	D279-C284 HydrophobicContact CB-CB 3.99Å; D279-C306 WeakPolarHBondContact OD1-CA 3.17Å; D279-R307 PolarHBondContact OD1-N 3.44Å; D279-K308 WeakPolarHBondContact OD1-CB 3.18Å; D279-K308 PolarHBondContact OD1-N 2.84Å; D279-S309 PolarHBondContact OD1-N 3.33Å; D279-S309 WeakPolarHBondContact OD2-CB 3.37Å; D279-S309 PolarHBondContact OD2-N 3.03Å; D279-S309 VanDerWaalsContact OD2-N 3.13Å; D279-S309 PolarHBondContact OD2-OG 3.16Å
280	L	83.5	Confident	74.8	Confident	79 Å²	79	85.6 Å²	85.6	41%	0.414	48%	0.483	S	S	.	.	S	Bend	trans	-90.3	-3.9	179.7	-58	178.9	0	0	0	112.4	E278 I305	E278-L280 HydrophobicContact CG-CD2 4.05Å; L280-I305 HydrophobicContact CB-CG2 4.23Å; L280-I305 HydrophobicContact CD1-CD1 4.28Å; L280-I305 PolarHBondContact N-O 2.02Å
281	S	81.1	Confident	76.6	Confident	25 Å²	25	82.6 Å²	82.6	18%	0.175	47%	0.468	C	S	.	.	S	Bend	trans	-128.9	137.3	179.2	170	0	0	0	0	111.2	H283 C284 I305	S281-H283 PolarHBondContact O-N 3.46Å; S281-H283 PolarHBondContact OG-N 2.75Å; S281-H283 VanDerWaalsContact OG-N 3.11Å; S281-C284 PolarHBondContact O-N 2.85Å; S281-C284 PolarHBondContact O-SG 3.15Å; S281-I305 VanDerWaalsContact CB-CG2 3.48Å
282	G	85.7	Confident	78.3	Confident	83 Å²	83	80.1 Å²	80.1	86%	0.856	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.4	172	0	0	0	0	0	114.3
283	H	83.1	Confident	79.8	Confident	103 Å²	103	75.6 Å²	75.6	48%	0.477	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.8	179.9	-61.1	-73	0	0	0	113.9	S281 A285 E286 W287	S281-H283 PolarHBondContact O-N 3.46Å; S281-H283 PolarHBondContact OG-N 2.75Å; S281-H283 VanDerWaalsContact OG-N 3.11Å; H283-A285 VanDerWaalsContact C-N 3.28Å; H283-A285 PolarHBondContact O-N 3.45Å; H283-E286 IonicContact ND1-OE2 3.71Å; H283-E286 WeakPolarHBondContact O-CB 3.23Å; H283-E286 PolarHBondContact O-N 3.27Å; H283-W287 HydrophobicContact CB-CD2 4.12Å; H283-W287 HydrophobicContact CB-CH2 4.36Å; H283-W287 HydrophobicContact CB-CZ2 3.84Å; H283-W287 PolarHBondContact O-N 3.28Å
284	C	81.9	Confident	81.3	Confident	1 Å²	1	80 Å²	80	1%	0.007	44%	0.435	C	S	.	.	H	α-helix	trans	-61.2	-34.2	-173	-68.5	0	0	0	0	113.7	D279 S281 W287 L288 I305 C306 S309	D279-C284 HydrophobicContact CB-CB 3.99Å; S281-C284 PolarHBondContact O-N 2.85Å; S281-C284 PolarHBondContact O-SG 3.15Å; C284-W287 PolarHBondContact O-N 2.91Å; C284-L288 WeakPolarHBondContact O-CB 3.26Å; C284-L288 PolarHBondContact O-N 3.05Å; C284-I305 PolarHBondContact SG-O 2.91Å; C284-C306 WeakPolarHBondContact CA-SG 3.49Å; C284-C306 HydrophobicContact CB-CB 3.62Å; C284-C306 WeakPolarHBondContact CB-SG 3.05Å; C284-C306 WeakPolarHBondContact SG-CA 3.41Å; C284-C306 WeakPolarHBondContact SG-CB 3.43Å; C284-C306 CovalentContact SG-SG 2.04Å; C284-C306 PolarHBondContact SG-SG 3.43Å; C284-S309 VanDerWaalsContact CB-OG 3.27Å; C284-S309 WeakPolarHBondContact CB-OG 3.27Å
285	A	86.3	Confident	81.8	Confident	57 Å²	57	76.6 Å²	76.6	47%	0.471	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-38.4	174.4	0	0	0	0	0	112.8	H283 Q289	H283-A285 VanDerWaalsContact C-N 3.28Å; H283-A285 PolarHBondContact O-N 3.45Å; A285-Q289 WeakPolarHBondContact O-CG 3.45Å; A285-Q289 PolarHBondContact O-N 3.19Å
286	E	78.8	Confident	82	Confident	76 Å²	76	73.5 Å²	73.5	36%	0.355	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-44.3	177.4	-178	-176.7	179.2	0	0	111.2	H283 L288 Q289 R290	H283-E286 IonicContact ND1-OE2 3.71Å; H283-E286 WeakPolarHBondContact O-CB 3.23Å; H283-E286 PolarHBondContact O-N 3.27Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.47Å; E286-Q289 WeakPolarHBondContact O-CB 3.36Å; E286-Q289 PolarHBondContact O-N 3.31Å; E286-Q289 VanDerWaalsContact O-N 3.12Å; E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.95Å; E286-R290 IonicContact OE1-CZ 3.9Å; E286-R290 IonicContact OE1-NE 2.85Å; E286-R290 PolarHBondContact OE1-NE 3.41Å; E286-R290 VanDerWaalsContact OE1-NE 3.13Å; E286-R290 IonicContact OE1-NH2 2.91Å; E286-R290 PolarHBondContact OE1-NH2 3.04Å
287	W	84.5	Confident	81.1	Confident	45 Å²	45	72.6 Å²	72.6	17%	0.17	40%	0.404	C	S	.	.	H	α-helix	trans	-64.1	-34.8	178.4	-69.6	-9.6	0	0	0	112.7	H283 C284 R290 G291 F292 Y301 T302 I305	H283-W287 HydrophobicContact CB-CD2 4.12Å; H283-W287 HydrophobicContact CB-CH2 4.36Å; H283-W287 HydrophobicContact CB-CZ2 3.84Å; H283-W287 PolarHBondContact O-N 3.28Å; C284-W287 PolarHBondContact O-N 2.91Å; W287-R290 CarbonylContact O-C 3.33Å; W287-R290 PolarHBondContact O-N 3.12Å; W287-G291 PolarHBondContact O-N 3.23Å; W287-F292 HydrophobicContact CB-CB 3.91Å; W287-F292 HydrophobicContact CB-CD1 4.23Å; W287-F292 HydrophobicContact CB-CG 4.01Å; W287-F292 HydrophobicContact CD2-CD1 4.39Å; W287-F292 AromaticContact CG-CD1 3.99Å; W287-F292 HydrophobicContact CG-CD1 3.99Å; W287-F292 HydrophobicContact CG-CE1 4.46Å; W287-F292 HydrophobicContact CG-CG 4.25Å; W287-F292 WeakPolarHBondContact O-CB 3.41Å; W287-F292 PolarHBondContact O-N 3.37Å; W287-Y301 AromaticContact CH2-CE1 3.67Å; W287-Y301 HydrophobicContact CH2-CE1 3.67Å; W287-Y301 HydrophobicContact CZ3-CD1 4.31Å; W287-Y301 AromaticContact CZ3-CE1 3.66Å; W287-Y301 HydrophobicContact CZ3-CE1 3.66Å; W287-T302 HydrophobicContact CE3-CG2 4.4Å; W287-I305 HydrophobicContact CZ3-CG2 4.26Å
288	L	83.2	Confident	80.5	Confident	86 Å²	86	72.8 Å²	72.8	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-58	-50.6	169.2	174.9	65.1	0	0	0	111.2	C284 E286 R290 G291 C293	C284-L288 WeakPolarHBondContact O-CB 3.26Å; C284-L288 PolarHBondContact O-N 3.05Å; E286-L288 VanDerWaalsContact C-N 3.3Å; E286-L288 PolarHBondContact O-N 3.47Å; L288-R290 PolarHBondContact O-N 3.32Å; L288-G291 PolarHBondContact O-N 2.92Å; L288-C293 HydrophobicContact CD1-CB 4.42Å; L288-C293 VanDerWaalsContact CD1-SG 3.58Å
289	Q	84	Confident	80.2	Confident	170 Å²	170	74.7 Å²	74.7	79%	0.794	40%	0.402	S	S	*	.	H	α-helix	trans	-62.2	-32.1	178.6	-69	179.5	24.2	0	0	112.7	A285 E286 G291	A285-Q289 WeakPolarHBondContact O-CG 3.45Å; A285-Q289 PolarHBondContact O-N 3.19Å; E286-Q289 WeakPolarHBondContact O-CB 3.36Å; E286-Q289 PolarHBondContact O-N 3.31Å; E286-Q289 VanDerWaalsContact O-N 3.12Å; Q289-G291 VanDerWaalsContact C-N 3.28Å; Q289-G291 PolarHBondContact O-N 3.32Å
290	R	79.3	Confident	79.6	Confident	163 Å²	163	76 Å²	76	62%	0.615	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	3.8	176.5	-65.5	-178.9	-179.7	-151.3	3.5	114.1	E286 W287 L288 F292	E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.95Å; E286-R290 IonicContact OE1-CZ 3.9Å; E286-R290 IonicContact OE1-NE 2.85Å; E286-R290 PolarHBondContact OE1-NE 3.41Å; E286-R290 VanDerWaalsContact OE1-NE 3.13Å; E286-R290 IonicContact OE1-NH2 2.91Å; E286-R290 PolarHBondContact OE1-NH2 3.04Å; W287-R290 CarbonylContact O-C 3.33Å; W287-R290 PolarHBondContact O-N 3.12Å; L288-R290 PolarHBondContact O-N 3.32Å; R290-F292 HydrophobicContact CB-CD2 3.6Å; R290-F292 HydrophobicContact CB-CE2 3.62Å; R290-F292 PolarHBondContact O-N 2.76Å
291	G	83.1	Confident	79.3	Confident	22 Å²	22	78.4 Å²	78.4	23%	0.227	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	15.5	176.6	0	0	0	0	0	115.3	W287 L288 Q289 C293 I294 S295	W287-G291 PolarHBondContact O-N 3.23Å; L288-G291 PolarHBondContact O-N 2.92Å; Q289-G291 VanDerWaalsContact C-N 3.28Å; Q289-G291 PolarHBondContact O-N 3.32Å; G291-C293 PolarHBondContact O-N 3.37Å; G291-I294 VanDerWaalsContact O-CG1 3.26Å; G291-I294 WeakPolarHBondContact O-CG1 3.23Å; G291-I294 PolarHBondContact O-N 2.98Å; G291-I294 VanDerWaalsContact O-N 3.15Å; G291-S295 PolarHBondContact O-N 3.49Å
292	F	82.6	Confident	79.3	Confident	46 Å²	46	77.2 Å²	77.2	20%	0.202	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.3	-176.9	-78.2	-135.6	0	0	0	112.2	W287 R290 I294 H298 T302	W287-F292 HydrophobicContact CB-CB 3.91Å; W287-F292 HydrophobicContact CB-CD1 4.23Å; W287-F292 HydrophobicContact CB-CG 4.01Å; W287-F292 HydrophobicContact CD2-CD1 4.39Å; W287-F292 AromaticContact CG-CD1 3.99Å; W287-F292 HydrophobicContact CG-CD1 3.99Å; W287-F292 HydrophobicContact CG-CE1 4.46Å; W287-F292 HydrophobicContact CG-CG 4.25Å; W287-F292 WeakPolarHBondContact O-CB 3.41Å; W287-F292 PolarHBondContact O-N 3.37Å; R290-F292 HydrophobicContact CB-CD2 3.6Å; R290-F292 HydrophobicContact CB-CE2 3.62Å; R290-F292 PolarHBondContact O-N 2.76Å; F292-I294 VanDerWaalsContact C-N 3.26Å; F292-I294 PolarHBondContact O-N 3.38Å; F292-H298 HydrophobicContact CB-CB 3.85Å; F292-H298 HydrophobicContact CD1-CB 3.79Å; F292-H298 AromaticContact CD1-CD2 3.66Å; F292-H298 AromaticContact CD1-CG 3.44Å; F292-H298 VanDerWaalsContact CD1-CG 3.44Å; F292-H298 AromaticContact CD1-ND1 3.72Å; F292-H298 AromaticContact CE1-CD2 3.63Å; F292-H298 AromaticContact CE1-CE1 3.73Å; F292-H298 AromaticContact CE1-CG 3.8Å; F292-H298 AromaticContact CE1-ND1 3.86Å; F292-H298 AromaticContact CE1-NE2 3.59Å; F292-H298 HydrophobicContact CG-CB 4.02Å; F292-H298 AromaticContact CG-CG 3.87Å; F292-H298 AromaticContact CG-ND1 3.85Å; F292-H298 AromaticContact CZ-CE1 3.82Å; F292-H298 WeakPolarHBondContact O-CB 3.29Å; F292-T302 HydrophobicContact CB-CG2 3.88Å
293	C	85.2	Confident	79.2	Confident	10 Å²	10	75 Å²	75	7%	0.068	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.9	176.8	-53.7	0	0	0	0	113.2	L288 G291 C310 F312	L288-C293 HydrophobicContact CD1-CB 4.42Å; L288-C293 VanDerWaalsContact CD1-SG 3.58Å; G291-C293 PolarHBondContact O-N 3.37Å; C293-C310 VanDerWaalsContact CA-SG 3.56Å; C293-C310 HydrophobicContact CB-CB 3.47Å; C293-C310 VanDerWaalsContact CB-CB 3.47Å; C293-C310 WeakPolarHBondContact CB-SG 3.36Å; C293-C310 WeakPolarHBondContact SG-CA 3.32Å; C293-C310 WeakPolarHBondContact SG-CB 3.48Å; C293-C310 CovalentContact SG-SG 2.02Å; C293-C310 PolarHBondContact SG-SG 2Å; C293-F312 WeakPolarHBondContact O-CZ 3.45Å
294	I	82.5	Confident	79.3	Confident	140 Å²	140	76.3 Å²	76.3	72%	0.718	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-13.7	-179.5	60.8	171.1	0	0	0	112.7	G291 F292 V296	G291-I294 VanDerWaalsContact O-CG1 3.26Å; G291-I294 WeakPolarHBondContact O-CG1 3.23Å; G291-I294 PolarHBondContact O-N 2.98Å; G291-I294 VanDerWaalsContact O-N 3.15Å; F292-I294 VanDerWaalsContact C-N 3.26Å; F292-I294 PolarHBondContact O-N 3.38Å; I294-V296 PolarHBondContact O-N 2.98Å
295	S	70.9	Confident	79.5	Confident	35 Å²	35	77.8 Å²	77.8	25%	0.245	40%	0.401	C	S	.	.			trans	-62.6	128	174.8	178	0	0	0	0	111	G291 S297 H298 R299	G291-S295 PolarHBondContact O-N 3.49Å; S295-S297 PolarHBondContact O-N 3.45Å; S295-S297 PolarHBondContact OG-N 3.18Å; S295-S297 PolarHBondContact OG-OG 2.81Å; S295-H298 PolarHBondContact O-N 3.09Å; S295-H298 PolarHBondContact OG-ND1 3.06Å; S295-R299 VanDerWaalsContact O-CB 3.23Å; S295-R299 WeakPolarHBondContact O-CB 3.12Å; S295-R299 PolarHBondContact O-N 3.27Å
296	V	70.7	Confident	79.7	Confident	117 Å²	117	75 Å²	75	71%	0.709	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.6	175.2	-177.5	0	0	0	0	111.2	I294	I294-V296 PolarHBondContact O-N 2.98Å
297	S	55.2	Low	80.3	Confident	56 Å²	56	73.7 Å²	73.7	39%	0.392	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-28.7	-179.1	59.7	0	0	0	0	114.6	S295	S295-S297 PolarHBondContact O-N 3.45Å; S295-S297 PolarHBondContact OG-N 3.18Å; S295-S297 PolarHBondContact OG-OG 2.81Å
298	H	73.1	Confident	80.7	Confident	63 Å²	63	78 Å²	78	29%	0.292	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-18.8	-173.8	-60.4	113.4	0	0	0	113.6	F292 S295 A300 Y301 T302	F292-H298 HydrophobicContact CB-CB 3.85Å; F292-H298 HydrophobicContact CD1-CB 3.79Å; F292-H298 AromaticContact CD1-CD2 3.66Å; F292-H298 AromaticContact CD1-CG 3.44Å; F292-H298 VanDerWaalsContact CD1-CG 3.44Å; F292-H298 AromaticContact CD1-ND1 3.72Å; F292-H298 AromaticContact CE1-CD2 3.63Å; F292-H298 AromaticContact CE1-CE1 3.73Å; F292-H298 AromaticContact CE1-CG 3.8Å; F292-H298 AromaticContact CE1-ND1 3.86Å; F292-H298 AromaticContact CE1-NE2 3.59Å; F292-H298 HydrophobicContact CG-CB 4.02Å; F292-H298 AromaticContact CG-CG 3.87Å; F292-H298 AromaticContact CG-ND1 3.85Å; F292-H298 AromaticContact CZ-CE1 3.82Å; F292-H298 WeakPolarHBondContact O-CB 3.29Å; S295-H298 PolarHBondContact O-N 3.09Å; S295-H298 PolarHBondContact OG-ND1 3.06Å; H298-A300 VanDerWaalsContact C-N 3.31Å; H298-A300 PolarHBondContact O-N 2.04Å; H298-Y301 WeakPolarHBondContact O-CB 3Å; H298-Y301 PolarHBondContact O-N 3.47Å; H298-T302 PolarHBondContact O-N 2.91Å; H298-T302 PolarHBondContact O-OG1 3.28Å; H298-T302 VanDerWaalsContact O-OG1 3.09Å
299	R	81.5	Confident	81.1	Confident	142 Å²	142	75.3 Å²	75.3	54%	0.536	38%	0.379	S	S	.	.	H	α-helix	trans	-52	-45.5	-172.9	-175.1	171.6	-173.3	150.5	2.2	113.3	S295 Y301 T302 A303 F312	S295-R299 VanDerWaalsContact O-CB 3.23Å; S295-R299 WeakPolarHBondContact O-CB 3.12Å; S295-R299 PolarHBondContact O-N 3.27Å; R299-Y301 VanDerWaalsContact C-N 3.29Å; R299-Y301 PolarHBondContact O-N 3.16Å; R299-T302 VanDerWaalsContact CA-OG1 3.29Å; R299-T302 WeakPolarHBondContact CA-OG1 3.38Å; R299-T302 PolarHBondContact O-N 2.86Å; R299-T302 PolarHBondContact O-OG1 3.07Å; R299-T302 VanDerWaalsContact O-OG1 3.06Å; R299-A303 WeakPolarHBondContact O-CB 3.04Å; R299-A303 PolarHBondContact O-N 3.02Å; R299-F312 HydrophobicContact CG-CE1 4.44Å; R299-F312 HydrophobicContact CG-CZ 3.93Å
300	A	75.1	Confident	81.4	Confident	76 Å²	76	67.8 Å²	67.8	63%	0.628	34%	0.344	S	S	*	.	H	α-helix	trans	-64.8	-32.2	-178.6	0	0	0	0	0	113.1	H298	H298-A300 VanDerWaalsContact C-N 3.31Å; H298-A300 PolarHBondContact O-N 2.04Å
301	Y	76.5	Confident	82	Confident	130 Å²	130	66.3 Å²	66.3	51%	0.51	35%	0.349	S	S	.	.	H	α-helix	trans	-79.2	-47.8	176.5	-179	-108.2	0	0	0	111.1	W287 H298 R299 A303 K304 I305	W287-Y301 AromaticContact CH2-CE1 3.67Å; W287-Y301 HydrophobicContact CH2-CE1 3.67Å; W287-Y301 HydrophobicContact CZ3-CD1 4.31Å; W287-Y301 AromaticContact CZ3-CE1 3.66Å; W287-Y301 HydrophobicContact CZ3-CE1 3.66Å; H298-Y301 WeakPolarHBondContact O-CB 3Å; H298-Y301 PolarHBondContact O-N 3.47Å; R299-Y301 VanDerWaalsContact C-N 3.29Å; R299-Y301 PolarHBondContact O-N 3.16Å; Y301-A303 PolarHBondContact O-N 3.41Å; Y301-K304 PolarHBondContact O-N 2.78Å; Y301-I305 HydrophobicContact CD2-CG1 4.22Å; Y301-I305 HydrophobicContact CE1-CG1 4.31Å; Y301-I305 HydrophobicContact CE2-CG1 3.8Å; Y301-I305 PolarHBondContact O-N 3.06Å; Y301-I305 VanDerWaalsContact O-N 3.07Å
302	T	81.5	Confident	82.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-27.9	175.9	51.2	0	0	0	0	113	W287 F292 H298 R299 K304 C306	W287-T302 HydrophobicContact CE3-CG2 4.4Å; F292-T302 HydrophobicContact CB-CG2 3.88Å; H298-T302 PolarHBondContact O-N 2.91Å; H298-T302 PolarHBondContact O-OG1 3.28Å; H298-T302 VanDerWaalsContact O-OG1 3.09Å; R299-T302 VanDerWaalsContact CA-OG1 3.29Å; R299-T302 WeakPolarHBondContact CA-OG1 3.38Å; R299-T302 PolarHBondContact O-N 2.86Å; R299-T302 PolarHBondContact O-OG1 3.07Å; R299-T302 VanDerWaalsContact O-OG1 3.06Å; T302-K304 PolarHBondContact O-N 2.82Å; T302-C306 CarbonylContact O-C 3.22Å; T302-C306 WeakPolarHBondContact O-CA 3.35Å; T302-C306 PolarHBondContact O-N 3.12Å
303	A	84.2	Confident	82.3	Confident	38 Å²	38	70 Å²	70	31%	0.314	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-16.9	173.3	0	0	0	0	0	114.1	R299 Y301 R307 F312	R299-A303 WeakPolarHBondContact O-CB 3.04Å; R299-A303 PolarHBondContact O-N 3.02Å; Y301-A303 PolarHBondContact O-N 3.41Å; A303-R307 WeakPolarHBondContact O-CG 3Å; A303-F312 HydrophobicContact CB-CD2 3.95Å; A303-F312 HydrophobicContact CB-CE2 4.07Å; A303-F312 HydrophobicContact CB-CG 4.3Å
304	K	85.5	Confident	82.2	Confident	129 Å²	129	73 Å²	73	56%	0.561	38%	0.384	S	S	*	.	H	α-helix	trans	-99.6	-42.6	174.5	-63.7	179.1	-177.4	-179.3	0	111.8	Y301 T302	Y301-K304 PolarHBondContact O-N 2.78Å; T302-K304 PolarHBondContact O-N 2.82Å
305	I	86.3	Confident	82.1	Confident	32 Å²	32	69.4 Å²	69.4	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-99.2	-26.9	-166.6	-56.4	-57	0	0	0	113.1	L280 S281 C284 W287 Y301	L280-I305 HydrophobicContact CB-CG2 4.23Å; L280-I305 HydrophobicContact CD1-CD1 4.28Å; L280-I305 PolarHBondContact N-O 2.02Å; S281-I305 VanDerWaalsContact CB-CG2 3.48Å; C284-I305 PolarHBondContact SG-O 2.91Å; W287-I305 HydrophobicContact CZ3-CG2 4.26Å; Y301-I305 HydrophobicContact CD2-CG1 4.22Å; Y301-I305 HydrophobicContact CE1-CG1 4.31Å; Y301-I305 HydrophobicContact CE2-CG1 3.8Å; Y301-I305 PolarHBondContact O-N 3.06Å; Y301-I305 VanDerWaalsContact O-N 3.07Å
306	C	89.1	Confident	82.8	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-126.5	44.3	-173.3	-63.9	0	0	0	0	112.2	D279 C284 T302 K308 S309 C310	D279-C306 WeakPolarHBondContact OD1-CA 3.17Å; C284-C306 WeakPolarHBondContact CA-SG 3.49Å; C284-C306 HydrophobicContact CB-CB 3.62Å; C284-C306 WeakPolarHBondContact CB-SG 3.05Å; C284-C306 WeakPolarHBondContact SG-CA 3.41Å; C284-C306 WeakPolarHBondContact SG-CB 3.43Å; C284-C306 CovalentContact SG-SG 2.04Å; C284-C306 PolarHBondContact SG-SG 3.43Å; T302-C306 CarbonylContact O-C 3.22Å; T302-C306 WeakPolarHBondContact O-CA 3.35Å; T302-C306 PolarHBondContact O-N 3.12Å; C306-K308 VanDerWaalsContact C-N 3.28Å; C306-K308 PolarHBondContact O-N 3.13Å; C306-S309 PolarHBondContact O-N 2.81Å; C306-C310 WeakPolarHBondContact O-CB 3.16Å; C306-C310 PolarHBondContact O-N 3.4Å
307	R	91.6	Very high	83.5	Confident	47 Å²	47	68.6 Å²	68.6	18%	0.177	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.7	-172.4	-69.9	177.8	66.4	-160.1	0.7	112.3	V276 D279 A303 N311 F312	V276-R307 PolarHBondContact O-NH1 3.5Å; D279-R307 PolarHBondContact OD1-N 3.44Å; A303-R307 WeakPolarHBondContact O-CG 3Å; R307-N311 PolarHBondContact O-N 2.87Å; R307-N311 VanDerWaalsContact O-N 3.16Å; R307-F312 HydrophobicContact CB-CB 4.41Å; R307-F312 HydrophobicContact CG-CB 4.38Å; R307-F312 PolarHBondContact O-N 2.54Å
308	K	92.7	Very high	85.2	Confident	137 Å²	137	69.4 Å²	69.4	60%	0.596	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-49.9	-179.7	-176.9	179.3	-179.6	178.2	0	111.3	D279 C306 C310 N311	D279-K308 WeakPolarHBondContact OD1-CB 3.18Å; D279-K308 PolarHBondContact OD1-N 2.84Å; C306-K308 VanDerWaalsContact C-N 3.28Å; C306-K308 PolarHBondContact O-N 3.13Å; K308-C310 PolarHBondContact O-N 3.46Å; K308-N311 PolarHBondContact O-N 3.34Å
309	S	92.8	Very high	86	Confident	29 Å²	29	69.9 Å²	69.9	20%	0.203	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-38.2	178.2	-75.7	0	0	0	0	112.9	D279 C284 C306	D279-S309 PolarHBondContact OD1-N 3.33Å; D279-S309 WeakPolarHBondContact OD2-CB 3.37Å; D279-S309 PolarHBondContact OD2-N 3.03Å; D279-S309 VanDerWaalsContact OD2-N 3.13Å; D279-S309 PolarHBondContact OD2-OG 3.16Å; C284-S309 VanDerWaalsContact CB-OG 3.27Å; C284-S309 WeakPolarHBondContact CB-OG 3.27Å; C306-S309 PolarHBondContact O-N 2.81Å
310	C	90.5	Very high	86.4	Confident	11 Å²	11	64.7 Å²	64.7	7%	0.074	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.8	-179.2	-66.4	0	0	0	0	114.5	C293 C306 K308 F312	C293-C310 VanDerWaalsContact CA-SG 3.56Å; C293-C310 HydrophobicContact CB-CB 3.47Å; C293-C310 VanDerWaalsContact CB-CB 3.47Å; C293-C310 WeakPolarHBondContact CB-SG 3.36Å; C293-C310 WeakPolarHBondContact SG-CA 3.32Å; C293-C310 WeakPolarHBondContact SG-CB 3.48Å; C293-C310 CovalentContact SG-SG 2.02Å; C293-C310 PolarHBondContact SG-SG 2Å; C306-C310 WeakPolarHBondContact O-CB 3.16Å; C306-C310 PolarHBondContact O-N 3.4Å; K308-C310 PolarHBondContact O-N 3.46Å; C310-F312 HydrophobicContact CB-CD2 3.35Å; C310-F312 HydrophobicContact CB-CE2 3.18Å; C310-F312 HydrophobicContact CB-CG 4.25Å; C310-F312 HydrophobicContact CB-CZ 3.92Å; C310-F312 PolarHBondContact O-N 3.08Å
311	N	91.2	Very high	87.2	Confident	133 Å²	133	63.8 Å²	63.8	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	47.4	179.6	-158.3	52.2	0	0	0	113.3	R307 K308	R307-N311 PolarHBondContact O-N 2.87Å; R307-N311 VanDerWaalsContact O-N 3.16Å; K308-N311 PolarHBondContact O-N 3.34Å
312	F	87.4	Confident	88.1	Confident	48 Å²	48	58.3 Å²	58.3	21%	0.211	31%	0.305	C	S	.	.			trans	-103.7	17.4	172.6	-58.7	-53.2	0	0	0	113.2	C293 R299 A303 R307 C310	C293-F312 WeakPolarHBondContact O-CZ 3.45Å; R299-F312 HydrophobicContact CG-CE1 4.44Å; R299-F312 HydrophobicContact CG-CZ 3.93Å; A303-F312 HydrophobicContact CB-CD2 3.95Å; A303-F312 HydrophobicContact CB-CE2 4.07Å; A303-F312 HydrophobicContact CB-CG 4.3Å; R307-F312 HydrophobicContact CB-CB 4.41Å; R307-F312 HydrophobicContact CG-CB 4.38Å; R307-F312 PolarHBondContact O-N 2.54Å; C310-F312 HydrophobicContact CB-CD2 3.35Å; C310-F312 HydrophobicContact CB-CE2 3.18Å; C310-F312 HydrophobicContact CB-CG 4.25Å; C310-F312 HydrophobicContact CB-CZ 3.92Å; C310-F312 PolarHBondContact O-N 3.08Å
313	C	84.8	Confident	88.7	Confident	96 Å²	96	63.6 Å²	63.6	65%	0.649	33%	0.333	S	S	*	.			trans	-82	0	155.8	-46.9	0	0	0	0	106.8	C277	C277-C313 HydrophobicContact CB-CB 3.74Å; C277-C313 WeakPolarHBondContact CB-SG 3Å; C277-C313 WeakPolarHBondContact SG-CB 2.98Å; C277-C313 CovalentContact SG-SG 2Å; C277-C313 PolarHBondContact SG-SG 3.18Å

Retrieved 313 of 313 residues in 420.6 ms (Link to these results)

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