Z4YHM2_DANRE Loading...

Probable inactive tRNA-specific adenosine deaminase-like protein 3

AlphaFold DB , UniProt , Accession Z4YHM2, Species DANRE (Danio rerio, Zebrafish), Gene adat3, Length 336 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	39.6	Very low	36.5	Very low	247 Å²	247	179.9 Å²	179.9	100%	1.217	85%	0.854	S	S	*	*				0	96.8	0	-80.7	-167.9	-117.8	0	0	107.1
2	E	31.1	Very low	37	Very low	189 Å²	189	177.3 Å²	177.3	88%	0.883	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.4	142	172.2	-73.6	176.3	141.6	0	0	109.7	Q4	E2-Q4 PolarHBondContact O-N 3.23Å
3	P	35.3	Very low	37.2	Very low	127 Å²	127	175.9 Å²	175.9	83%	0.825	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-74.8	128.7	177	28.6	-29.3	0	0	0	110.1	A5	P3-A5 PolarHBondContact O-N 2.9Å
4	Q	34.5	Very low	38.1	Very low	193 Å²	193	171.6 Å²	171.6	90%	0.902	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.3	178.4	-72.9	-179.1	-16.7	0	0	111.5	E2 K6	E2-Q4 PolarHBondContact O-N 3.23Å; Q4-K6 PolarHBondContact O-N 2.71Å
5	A	35.8	Very low	39	Very low	99 Å²	99	167.4 Å²	167.4	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59.8	126.6	173.5	0	0	0	0	0	110.9	P3 R7	P3-A5 PolarHBondContact O-N 2.9Å; A5-R7 PolarHBondContact O-N 3.32Å
6	K	38.3	Very low	40.1	Very low	202 Å²	202	162.4 Å²	162.4	88%	0.878	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-58.8	117.9	171.7	-80.3	179	174.2	177.5	0	109.5	Q4 R8	Q4-K6 PolarHBondContact O-N 2.71Å; K6-R8 PolarHBondContact O-N 3.36Å; K6-R8 VanDerWaalsContact O-N 3.11Å
7	R	35.2	Very low	42.2	Very low	251 Å²	251	159.1 Å²	159.1	95%	0.947	78%	0.776	S	S	*	*			trans	-54.7	113.5	162.8	-87.6	-179.9	169.6	178.7	-3.7	108.6	A5 K9	A5-R7 PolarHBondContact O-N 3.32Å; R7-K9 PolarHBondContact O-N 3.34Å
8	R	33.9	Very low	44.8	Very low	207 Å²	207	151.9 Å²	151.9	78%	0.781	74%	0.739	S	S	*	*			trans	-65.1	123	167	-82.3	-171.4	177.2	179	-1	108.8	K6 E10	K6-R8 PolarHBondContact O-N 3.36Å; K6-R8 VanDerWaalsContact O-N 3.11Å; R8-E10 VanDerWaalsContact C-N 3.33Å; R8-E10 HydrophobicContact CB-CG 4.22Å; R8-E10 WeakPolarHBondContact CD-OE1 3.49Å; R8-E10 IonicContact CZ-OE1 3.92Å; R8-E10 IonicContact NE-OE1 3.98Å; R8-E10 IonicContact NH1-OE1 3.06Å; R8-E10 PolarHBondContact NH1-OE1 3.36Å; R8-E10 PolarHBondContact O-N 3.4Å
9	K	34.9	Very low	47.1	Very low	184 Å²	184	150.4 Å²	150.4	80%	0.8	73%	0.731	S	S	*	*			trans	-85.1	79.6	169.6	-161.2	-175.4	-178	-162	0	106.8	R7 M11	R7-K9 PolarHBondContact O-N 3.34Å; K9-M11 PolarHBondContact O-N 3.11Å
10	E	40.7	Very low	49.4	Very low	143 Å²	143	143 Å²	143	67%	0.668	70%	0.695	S	S	*	*			trans	-89.9	75.4	177.6	-83.5	174.3	-167.3	0	0	110.2	R8	R8-E10 VanDerWaalsContact C-N 3.33Å; R8-E10 HydrophobicContact CB-CG 4.22Å; R8-E10 WeakPolarHBondContact CD-OE1 3.49Å; R8-E10 IonicContact CZ-OE1 3.92Å; R8-E10 IonicContact NE-OE1 3.98Å; R8-E10 IonicContact NH1-OE1 3.06Å; R8-E10 PolarHBondContact NH1-OE1 3.36Å; R8-E10 PolarHBondContact O-N 3.4Å
11	M	42.4	Very low	51.4	Low	137 Å²	137	138.7 Å²	138.7	68%	0.675	68%	0.675	S	S	*	*	S	Bend	trans	-176.6	104.4	161.9	-121.2	160	50.9	0	0	105	K9	K9-M11 PolarHBondContact O-N 3.11Å
12	D	41.9	Very low	54	Low	149 Å²	149	128 Å²	128	80%	0.797	62%	0.624	S	S	*	*	S	Bend	trans	157.1	32.7	157.5	-77.8	-17.2	0	0	0	113.5
13	D	40	Very low	57	Low	159 Å²	159	119.7 Å²	119.7	85%	0.85	59%	0.586	S	S	*	*			trans	-142.3	47.7	177.9	-154.1	29.1	0	0	0	113.5
14	Y	50	Low	59.6	Low	116 Å²	116	114.8 Å²	114.8	46%	0.455	55%	0.553	S	S	.	*	S	Bend	trans	-90.6	121.3	155.6	-88.2	-83.1	0	0	0	107.3	D16 N328 A329 D332	Y14-D16 PolarHBondContact O-N 2.85Å; Y14-D16 VanDerWaalsContact O-N 3.09Å; Y14-N328 HydrophobicContact CD1-CB 3.58Å; Y14-N328 HydrophobicContact CE1-CB 3.67Å; Y14-A329 HydrophobicContact CD1-CB 4.35Å; Y14-A329 HydrophobicContact CD2-CB 4.27Å; Y14-A329 HydrophobicContact CE1-CB 4.15Å; Y14-A329 HydrophobicContact CE2-CB 4.05Å; Y14-A329 HydrophobicContact CG-CB 4.4Å; Y14-D332 VanDerWaalsContact CE1-OD2 3.26Å; Y14-D332 WeakPolarHBondContact CE1-OD2 3.49Å; Y14-D332 VanDerWaalsContact CZ-OD2 3.27Å; Y14-D332 WeakPolarHBondContact OH-CB 3.28Å; Y14-D332 PolarHBondContact OH-OD2 3.33Å
15	D	51.1	Low	62.3	Low	108 Å²	108	106.5 Å²	106.5	58%	0.578	52%	0.516	S	S	*	.			trans	-42.9	117.8	167	-176	-3.6	0	0	0	108.9	T17	D15-T17 PolarHBondContact O-N 3.1Å; D15-T17 PolarHBondContact OD1-OG1 3.1Å; D15-T17 PolarHBondContact OD2-OG1 3.08Å
16	D	57.3	Low	64.8	Low	87 Å²	87	105.3 Å²	105.3	47%	0.465	50%	0.496	S	S	.	.			trans	-80.3	10.4	-163.4	-150.9	14.6	0	0	0	113.3	Y14 W18 R170	Y14-D16 PolarHBondContact O-N 2.85Å; Y14-D16 VanDerWaalsContact O-N 3.09Å; D16-W18 PolarHBondContact O-N 3.12Å; D16-R170 IonicContact OD1-CZ 3.27Å; D16-R170 IonicContact OD1-NE 2.68Å; D16-R170 IonicContact OD1-NH1 2.79Å; D16-R170 PolarHBondContact OD1-NH1 3.43Å; D16-R170 IonicContact OD1-NH2 2.78Å; D16-R170 PolarHBondContact OD1-NH2 2.97Å; D16-R170 IonicContact OD2-CZ 2.56Å; D16-R170 IonicContact OD2-NH1 3.85Å; D16-R170 PolarHBondContact OD2-NH1 2.96Å; D16-R170 IonicContact OD2-NH2 3.12Å; D16-R170 PolarHBondContact OD2-NH2 2.97Å
17	T	76.1	Confident	67.2	Low	107 Å²	107	100.8 Å²	100.8	66%	0.656	48%	0.478	S	S	*	.			trans	-93.5	74.1	-173.9	53.6	0	0	0	0	110.7	D15	D15-T17 PolarHBondContact O-N 3.1Å; D15-T17 PolarHBondContact OD1-OG1 3.1Å; D15-T17 PolarHBondContact OD2-OG1 3.08Å
18	W	88.6	Confident	69.7	Low	29 Å²	29	91 Å²	91	11%	0.11	44%	0.443	C	S	.	.			trans	-108.8	144.6	166.2	55.4	-83.2	0	0	0	111.2	D16 V20 K166 M169 R170 G324 V325	D16-W18 PolarHBondContact O-N 3.12Å; W18-V20 HydrophobicContact CE3-CG2 3.62Å; W18-V20 HydrophobicContact CH2-CG2 4.25Å; W18-V20 HydrophobicContact CZ3-CG2 3.15Å; W18-K166 HydrophobicContact CH2-CB 4Å; W18-K166 HydrophobicContact CH2-CG 4.41Å; W18-K166 WeakPolarHBondContact CH2-O 3.02Å; W18-K166 HydrophobicContact CZ2-CB 4.41Å; W18-K166 WeakPolarHBondContact CZ2-O 3.23Å; W18-M169 HydrophobicContact CH2-CB 3.99Å; W18-R170 HydrophobicContact CZ2-CB 4.08Å; W18-G324 WeakPolarHBondContact CB-O 3.42Å; W18-V325 HydrophobicContact CE3-CB 4.41Å; W18-V325 HydrophobicContact CE3-CG1 4.32Å; W18-V325 HydrophobicContact CH2-CG1 4.27Å; W18-V325 HydrophobicContact CZ3-CB 4.25Å; W18-V325 HydrophobicContact CZ3-CG1 3.88Å; W18-V325 HydrophobicContact CZ3-CG2 4.15Å
19	E	88.9	Confident	72.2	Confident	123 Å²	123	84 Å²	84	58%	0.575	43%	0.426	S	S	*	.			trans	-112.8	142.2	174.3	-66.5	-169.2	165.7	0	0	110.7	L21	E19-L21 HydrophobicContact CB-CG 4.47Å
20	V	91.5	Very high	74.8	Confident	3 Å²	3	81 Å²	81	2%	0.018	41%	0.414	C	S	.	.			trans	-99.6	113.4	173.8	-170.2	0	0	0	0	108.4	W18 F161 M169 F293 F322 K323 V325	W18-V20 HydrophobicContact CE3-CG2 3.62Å; W18-V20 HydrophobicContact CH2-CG2 4.25Å; W18-V20 HydrophobicContact CZ3-CG2 3.15Å; V20-F161 HydrophobicContact CB-CD2 4.04Å; V20-F161 HydrophobicContact CB-CE2 4.16Å; V20-F161 HydrophobicContact CG1-CD2 3.98Å; V20-F161 HydrophobicContact CG1-CE2 3.6Å; V20-M169 HydrophobicContact CG2-SD 4.01Å; V20-F293 HydrophobicContact CG1-CD1 4.25Å; V20-F293 HydrophobicContact CG1-CE1 4.35Å; V20-F322 HydrophobicContact CG1-CB 3.58Å; V20-F322 HydrophobicContact CG1-CD1 4.09Å; V20-F322 HydrophobicContact CG1-CG 4.07Å; V20-K323 WeakPolarHBondContact CA-O 3.49Å; V20-V325 HydrophobicContact CG1-CG2 4.24Å; V20-V325 HydrophobicContact CG2-CG2 3.93Å
21	L	92	Very high	77.2	Confident	53 Å²	53	79.3 Å²	79.3	28%	0.277	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141	-178.4	-62.2	176.3	0	0	0	110.2	E19 F322 K323	E19-L21 HydrophobicContact CB-CG 4.47Å; L21-F322 CarbonylContact O-C 3.59Å; L21-F322 VanDerWaalsContact O-CA 3.29Å; L21-F322 WeakPolarHBondContact O-CA 3.33Å; L21-K323 HydrophobicContact CB-CG 4.34Å; L21-K323 PolarHBondContact N-O 3.3Å; L21-K323 PolarHBondContact O-N 3.4Å
22	P	93.8	Very high	79.5	Confident	22 Å²	22	74.2 Å²	74.2	14%	0.143	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.4	173.9	32.9	-38	0	0	0	109.9	L24 A155 F322	P22-L24 HydrophobicContact CB-CD2 4.14Å; P22-L24 HydrophobicContact CG-CD2 3.92Å; P22-L24 HydrophobicContact CG-CG 4.41Å; P22-L24 PolarHBondContact O-N 3.36Å; P22-A155 HydrophobicContact CB-CB 4.18Å; P22-A155 WeakPolarHBondContact CD-O 3.02Å; P22-A155 HydrophobicContact CG-CB 3.57Å; P22-F322 HydrophobicContact CB-CD1 4.24Å; P22-F322 HydrophobicContact CB-CE1 4.09Å
23	V	93.9	Very high	82	Confident	14 Å²	14	72.8 Å²	72.8	9%	0.085	38%	0.376	C	S	.	.			trans	-90.2	100.3	168.2	-171.7	0	0	0	0	108.7	Y294 F303 H310 V321 K323	V23-Y294 HydrophobicContact CG2-CE1 3.86Å; V23-F303 WeakPolarHBondContact CG1-O 3.46Å; V23-H310 PolarHBondContact O-NE2 3.29Å; V23-V321 HydrophobicContact CB-CB 4.19Å; V23-V321 HydrophobicContact CB-CG1 4.24Å; V23-V321 HydrophobicContact CG2-CB 4.3Å; V23-V321 HydrophobicContact CG2-CG1 3.85Å; V23-V321 PolarHBondContact N-O 3.31Å; V23-K323 HydrophobicContact CG2-CB 4.01Å; V23-K323 HydrophobicContact CG2-CD 4.17Å; V23-K323 HydrophobicContact CG2-CG 4.1Å
24	L	91.1	Very high	84.7	Confident	25 Å²	25	67.8 Å²	67.8	13%	0.131	35%	0.349	C	S	.	.			trans	-75.4	149	-176.1	-61.5	-175.5	0	0	0	112.5	P22 Q28 T131 V152 L156 K308	P22-L24 HydrophobicContact CB-CD2 4.14Å; P22-L24 HydrophobicContact CG-CD2 3.92Å; P22-L24 HydrophobicContact CG-CG 4.41Å; P22-L24 PolarHBondContact O-N 3.36Å; L24-Q28 HydrophobicContact CB-CB 3.95Å; L24-Q28 HydrophobicContact CD1-CB 4.27Å; L24-T131 HydrophobicContact CD1-CG2 4.28Å; L24-V152 HydrophobicContact CD2-CG1 4.13Å; L24-L156 HydrophobicContact CD1-CD1 4.27Å; L24-L156 HydrophobicContact CD1-CD2 3.78Å; L24-L156 HydrophobicContact CD1-CG 4.3Å; L24-K308 VanDerWaalsContact O-CD 3.3Å; L24-K308 WeakPolarHBondContact O-CD 3.36Å; L24-K308 VanDerWaalsContact O-CE 3.3Å; L24-K308 WeakPolarHBondContact O-CE 3.33Å; L24-K308 PolarHBondContact O-NZ 3.47Å
25	S	90.5	Very high	86.9	Confident	18 Å²	18	65 Å²	65	13%	0.126	34%	0.341	C	S	.	.			trans	-59.9	163.3	170	63.6	0	0	0	0	112	E27 Q28 S29 C311	S25-E27 VanDerWaalsContact C-N 3.28Å; S25-E27 PolarHBondContact O-N 3.27Å; S25-Q28 PolarHBondContact O-N 3.08Å; S25-Q28 WeakPolarHBondContact OG-CB 3.3Å; S25-Q28 VanDerWaalsContact OG-CD 3.31Å; S25-Q28 VanDerWaalsContact OG-CG 3.27Å; S25-Q28 WeakPolarHBondContact OG-CG 3.32Å; S25-Q28 PolarHBondContact OG-N 3.3Å; S25-Q28 PolarHBondContact OG-OE1 3.19Å; S25-S29 WeakPolarHBondContact O-CB 3.1Å; S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 3.05Å; S25-C311 VanDerWaalsContact CA-SG 3.56Å
26	D	88.4	Confident	89.1	Confident	74 Å²	74	62.2 Å²	62.2	40%	0.396	33%	0.329	S	S	.	.	H	α-helix	trans	-59.3	-43	175.3	-66.9	-31.1	0	0	0	111.3	Q28 S29 Q30 K308	D26-Q28 PolarHBondContact O-N 3.17Å; D26-Q28 VanDerWaalsContact O-N 3.15Å; D26-S29 PolarHBondContact O-N 3.11Å; D26-S29 VanDerWaalsContact O-N 3.09Å; D26-S29 PolarHBondContact O-OG 2.72Å; D26-Q30 HydrophobicContact CB-CG 4.49Å; D26-Q30 WeakPolarHBondContact O-CB 3.4Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 3.2Å; D26-K308 WeakPolarHBondContact OD1-CD 3.5Å; D26-K308 WeakPolarHBondContact OD1-CE 3.47Å; D26-K308 IonicContact OD1-NZ 2.94Å; D26-K308 PolarHBondContact OD1-NZ 2.85Å
27	E	88.3	Confident	90.9	Very high	107 Å²	107	58 Å²	58	50%	0.5	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-33.3	176.5	-63.4	174.8	-173.7	0	0	112.7	S25 L130 Q134 K313	S25-E27 VanDerWaalsContact C-N 3.28Å; S25-E27 PolarHBondContact O-N 3.27Å; E27-L130 HydrophobicContact CB-CD1 3.75Å; E27-Q134 PolarHBondContact O-NE2 3.13Å; E27-K313 WeakPolarHBondContact OE1-CE 3.43Å; E27-K313 IonicContact OE1-NZ 3.14Å; E27-K313 PolarHBondContact OE1-NZ 3.47Å; E27-K313 IonicContact OE2-NZ 2.74Å; E27-K313 PolarHBondContact OE2-NZ 3.49Å
28	Q	89	Confident	91.9	Very high	47 Å²	47	53.1 Å²	53.1	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-89.5	-19.7	-179.6	-72	169	-46.6	0	0	114.1	L24 S25 D26 L130 T131 Q134	L24-Q28 HydrophobicContact CB-CB 3.95Å; L24-Q28 HydrophobicContact CD1-CB 4.27Å; S25-Q28 PolarHBondContact O-N 3.08Å; S25-Q28 WeakPolarHBondContact OG-CB 3.3Å; S25-Q28 VanDerWaalsContact OG-CD 3.31Å; S25-Q28 VanDerWaalsContact OG-CG 3.27Å; S25-Q28 WeakPolarHBondContact OG-CG 3.32Å; S25-Q28 PolarHBondContact OG-N 3.3Å; S25-Q28 PolarHBondContact OG-OE1 3.19Å; D26-Q28 PolarHBondContact O-N 3.17Å; D26-Q28 VanDerWaalsContact O-N 3.15Å; Q28-L130 HydrophobicContact CG-CB 3.94Å; Q28-L130 HydrophobicContact CG-CD1 3.82Å; Q28-T131 HydrophobicContact CB-CG2 3.99Å; Q28-T131 HydrophobicContact CG-CG2 4.43Å; Q28-T131 VanDerWaalsContact O-CG2 3.23Å; Q28-T131 WeakPolarHBondContact O-CG2 3.27Å; Q28-T131 PolarHBondContact O-OG1 3.34Å; Q28-Q134 PolarHBondContact O-NE2 3.44Å
29	S	86.8	Confident	92.3	Very high	60 Å²	60	51.8 Å²	51.8	42%	0.42	27%	0.271	S	S	.	.	H	α-helix	trans	-109	-23.5	-171.3	53.3	0	0	0	0	114.2	S25 D26 K308	S25-S29 WeakPolarHBondContact O-CB 3.1Å; S25-S29 PolarHBondContact O-N 3.28Å; S25-S29 PolarHBondContact O-OG 3.05Å; D26-S29 PolarHBondContact O-N 3.11Å; D26-S29 VanDerWaalsContact O-N 3.09Å; D26-S29 PolarHBondContact O-OG 2.72Å; S29-K308 PolarHBondContact OG-NZ 3.45Å
30	Q	88.7	Confident	92.6	Very high	119 Å²	119	45.9 Å²	45.9	56%	0.556	24%	0.244	S	C	*	.	S	Bend	trans	-72.5	155.4	178.6	-72	-179	-7.5	0	0	112.2	D26 Q134	D26-Q30 HydrophobicContact CB-CG 4.49Å; D26-Q30 WeakPolarHBondContact O-CB 3.4Å; D26-Q30 VanDerWaalsContact O-CG 3.31Å; D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 3.2Å; Q30-Q134 PolarHBondContact O-NE2 3.45Å
31	D	89.9	Confident	92.7	Very high	108 Å²	108	46.4 Å²	46.4	58%	0.578	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-65.8	147.3	171.5	-80.3	-14.9	0	0	0	110.8	E33 K137	D31-E33 PolarHBondContact O-N 3.47Å; D31-E33 VanDerWaalsContact O-N 3.1Å; D31-K137 WeakPolarHBondContact OD1-CD 3.36Å; D31-K137 IonicContact OD1-NZ 3.16Å; D31-K137 PolarHBondContact OD1-NZ 3.06Å; D31-K137 IonicContact OD2-NZ 3.49Å
32	P	91.2	Very high	92.9	Very high	31 Å²	31	43.9 Å²	43.9	20%	0.201	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-58.3	119.6	179.4	-21.6	32	0	0	0	110.7	Q134 K137 A138	P32-Q134 HydrophobicContact CG-CB 4.32Å; P32-Q134 WeakPolarHBondContact CG-O 3.21Å; P32-K137 HydrophobicContact CG-CB 4.03Å; P32-A138 HydrophobicContact CB-CB 4.14Å; P32-A138 HydrophobicContact CG-CB 3.98Å
33	E	94.6	Very high	92.8	Very high	118 Å²	118	47.2 Å²	47.2	55%	0.551	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-61.9	143.8	168.7	-176	179.3	-169.1	0	0	109.7	D31 P125 A126 N127	D31-E33 PolarHBondContact O-N 3.47Å; D31-E33 VanDerWaalsContact O-N 3.1Å; E33-P125 WeakPolarHBondContact O-CA 3.47Å; E33-A126 HydrophobicContact CB-CB 3.93Å; E33-A126 HydrophobicContact CG-CB 3.95Å; E33-A126 WeakPolarHBondContact O-CB 3.1Å; E33-A126 PolarHBondContact O-N 2.94Å; E33-N127 PolarHBondContact OE2-ND2 3.11Å
34	L	96.6	Very high	92.6	Very high	54 Å²	54	50.3 Å²	50.3	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.4	-176.5	-58.8	176.3	0	0	0	110.9	Q123 I124 H141	L34-Q123 HydrophobicContact CB-CB 4.28Å; L34-Q123 HydrophobicContact CD1-CB 4.14Å; L34-I124 CarbonylContact C-O 3.58Å; L34-I124 VanDerWaalsContact CA-O 3.31Å; L34-I124 WeakPolarHBondContact CA-O 3.41Å; L34-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L34-H141 HydrophobicContact CD2-CB 4.1Å
35	L	95.9	Very high	92.5	Very high	57 Å²	57	57.6 Å²	57.6	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.6	173.8	-63.8	172.4	0	0	0	110.5	Q123 I124 A126	L35-Q123 PolarHBondContact O-OE1 3.08Å; L35-I124 HydrophobicContact CB-CG1 4.5Å; L35-I124 PolarHBondContact N-O 3.15Å; L35-I124 PolarHBondContact O-N 3.23Å; L35-A126 HydrophobicContact CD1-CB 3.71Å; L35-A126 HydrophobicContact CD2-CB 4.43Å; L35-A126 HydrophobicContact CG-CB 3.64Å
36	P	97.1	Very high	92.5	Very high	50 Å²	50	66 Å²	66	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.6	171.4	30.7	-33.3	0	0	0	110.6	V89 I121 V122	P36-V89 HydrophobicContact CB-CB 4.15Å; P36-V89 HydrophobicContact CB-CG2 3.85Å; P36-V89 HydrophobicContact CG-CB 4.14Å; P36-V89 HydrophobicContact CG-CG2 4.4Å; P36-V89 PolarHBondContact O-N 3.1Å; P36-V89 VanDerWaalsContact O-N 3.07Å; P36-I121 HydrophobicContact CB-CG2 4.1Å; P36-V122 WeakPolarHBondContact CA-O 3.31Å
37	A	96.8	Very high	92.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.6	175.6	0	0	0	0	0	111	I85 L88 I121 V122 I124	A37-I85 HydrophobicContact CB-CG2 4.24Å; A37-L88 HydrophobicContact CB-CD2 4.12Å; A37-I121 WeakPolarHBondContact O-CA 3.05Å; A37-V122 HydrophobicContact CB-CG2 4.35Å; A37-V122 PolarHBondContact N-O 3.22Å; A37-V122 WeakPolarHBondContact O-CG2 3.36Å; A37-V122 PolarHBondContact O-N 2.91Å; A37-I124 HydrophobicContact CB-CD1 3.78Å; A37-I124 HydrophobicContact CB-CG1 4.12Å; A37-I124 HydrophobicContact CB-CG2 4.29Å
38	Y	96.7	Very high	92.9	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.7	168	-71.8	-68.6	0	0	0	109.3	V86 C87 V89 V92 P97 V100 L105 I121	Y38-V86 PolarHBondContact O-N 2.67Å; Y38-C87 PolarHBondContact N-O 2.72Å; Y38-V89 HydrophobicContact CD2-CB 4.48Å; Y38-V89 HydrophobicContact CD2-CG2 3.86Å; Y38-V89 HydrophobicContact CE1-CG2 4.42Å; Y38-V89 HydrophobicContact CE2-CB 4.08Å; Y38-V89 HydrophobicContact CE2-CG1 4.15Å; Y38-V89 HydrophobicContact CE2-CG2 3.69Å; Y38-V89 HydrophobicContact CG-CG2 4.31Å; Y38-V92 HydrophobicContact CD2-CG2 4.06Å; Y38-V92 HydrophobicContact CE2-CB 4.11Å; Y38-V92 HydrophobicContact CE2-CG1 4.48Å; Y38-V92 HydrophobicContact CE2-CG2 3.88Å; Y38-P97 VanDerWaalsContact CE1-O 3.31Å; Y38-P97 WeakPolarHBondContact CE1-O 3.23Å; Y38-P97 WeakPolarHBondContact OH-CA 3.14Å; Y38-P97 WeakPolarHBondContact OH-CB 3.16Å; Y38-P97 PolarHBondContact OH-O 3.4Å; Y38-V100 HydrophobicContact CE1-CB 4.05Å; Y38-V100 HydrophobicContact CE1-CG1 4.4Å; Y38-V100 HydrophobicContact CE1-CG2 4.5Å; Y38-V100 VanDerWaalsContact OH-CG2 3.32Å; Y38-V100 WeakPolarHBondContact OH-CG2 3.49Å; Y38-L105 HydrophobicContact CD1-CD1 4.35Å; Y38-L105 HydrophobicContact CD2-CD1 4.44Å; Y38-L105 HydrophobicContact CD2-CD2 3.67Å; Y38-L105 HydrophobicContact CE2-CD2 3.96Å; Y38-L105 HydrophobicContact CG-CD1 4Å; Y38-L105 HydrophobicContact CG-CD2 4.08Å; Y38-I121 HydrophobicContact CD1-CG1 4Å; Y38-I121 HydrophobicContact CE1-CD1 4.16Å; Y38-I121 HydrophobicContact CE1-CG1 3.72Å
39	A	95.9	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	156.9	168.4	0	0	0	0	0	109.9	V84 P119 F120 V122 W142	A39-V84 CarbonylContact C-O 3.19Å; A39-V84 WeakPolarHBondContact CA-O 3.31Å; A39-P119 CarbonylContact O-C 3.54Å; A39-P119 VanDerWaalsContact O-CA 3.23Å; A39-P119 WeakPolarHBondContact O-CA 3.37Å; A39-F120 HydrophobicContact CB-CE1 4.22Å; A39-F120 HydrophobicContact CB-CE2 4.05Å; A39-F120 HydrophobicContact CB-CZ 3.86Å; A39-F120 PolarHBondContact N-O 3.48Å; A39-F120 WeakPolarHBondContact O-CD1 3.37Å; A39-F120 PolarHBondContact O-N 3.14Å; A39-V122 HydrophobicContact CB-CG1 4.12Å; A39-V122 HydrophobicContact CB-CG2 3.8Å; A39-W142 HydrophobicContact CB-CH2 4.1Å; A39-W142 HydrophobicContact CB-CZ3 4.07Å
40	A	95.1	Very high	93.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	176.1	0	0	0	0	0	110.6	E83 V84 V86 L102 L116	A40-E83 WeakPolarHBondContact O-CA 3.34Å; A40-V84 PolarHBondContact N-O 2.91Å; A40-V84 PolarHBondContact O-N 2.83Å; A40-V86 HydrophobicContact CB-CG2 3.87Å; A40-L102 HydrophobicContact CB-CD2 4.16Å; A40-L116 HydrophobicContact CB-CD2 4.1Å
41	P	95.1	Very high	93.7	Very high	14 Å²	14	56.5 Å²	56.5	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.6	168.2	-25.8	37.5	0	0	0	111.4	L43 H80 L116 G117 D118 F120	P41-L43 HydrophobicContact CB-CD2 4.11Å; P41-H80 HydrophobicContact CB-CB 4.06Å; P41-L116 CarbonylContact O-C 3.48Å; P41-L116 WeakPolarHBondContact O-CA 3.31Å; P41-G117 PolarHBondContact O-N 3.12Å; P41-D118 WeakPolarHBondContact CD-O 3.21Å; P41-F120 HydrophobicContact CG-CE1 4.17Å
42	I	94.5	Very high	93.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.9	161.4	-53.8	179.6	0	0	0	107.1	E44 T48 L51 V70 P81 L82 V84 G115 L116	I42-E44 VanDerWaalsContact CG2-O 3.31Å; I42-E44 WeakPolarHBondContact CG2-O 3.37Å; I42-T48 HydrophobicContact CD1-CG2 3.86Å; I42-L51 HydrophobicContact CG1-CD1 4.38Å; I42-L51 HydrophobicContact CG2-CD1 3.92Å; I42-V70 HydrophobicContact CD1-CG1 4.15Å; I42-V70 HydrophobicContact CD1-CG2 4.35Å; I42-P81 WeakPolarHBondContact O-CD 3.35Å; I42-L82 HydrophobicContact CB-CB 4.06Å; I42-L82 HydrophobicContact CD1-CB 4.02Å; I42-L82 HydrophobicContact CD1-CD1 4.41Å; I42-L82 HydrophobicContact CG1-CB 4.3Å; I42-L82 PolarHBondContact N-O 3.37Å; I42-V84 HydrophobicContact CD1-CB 3.99Å; I42-V84 HydrophobicContact CD1-CG1 4.24Å; I42-V84 HydrophobicContact CG1-CB 4.03Å; I42-V84 HydrophobicContact CG1-CG1 3.81Å; I42-G115 CarbonylContact C-O 3.59Å; I42-G115 WeakPolarHBondContact CA-O 3.33Å; I42-L116 HydrophobicContact CG1-CD2 4.33Å
43	L	92	Very high	93.9	Very high	91 Å²	91	58.3 Å²	58.3	48%	0.476	28%	0.275	S	S	.	.	S	Bend	trans	-71.5	-32.2	-175.7	-55.2	179.5	0	0	0	112	P41 H80 G115	P41-L43 HydrophobicContact CB-CD2 4.11Å; L43-H80 HydrophobicContact CD2-CB 4.31Å; L43-G115 PolarHBondContact N-O 3.21Å
44	E	89.5	Confident	93.8	Very high	80 Å²	80	54.9 Å²	54.9	37%	0.374	26%	0.259	S	S	.	.			trans	-127.4	120.5	-178.2	-62.5	-170.3	173.7	0	0	112.2	I42 R46 E47	I42-E44 VanDerWaalsContact CG2-O 3.31Å; I42-E44 WeakPolarHBondContact CG2-O 3.37Å; E44-R46 HydrophobicContact CB-CG 4.25Å; E44-R46 PolarHBondContact O-N 2.72Å; E44-R46 VanDerWaalsContact O-N 3.14Å; E44-R46 IonicContact OE1-NH2 3.14Å; E44-R46 PolarHBondContact OE1-NH2 2.92Å; E44-R46 IonicContact OE2-CZ 3.47Å; E44-R46 IonicContact OE2-NE 2.72Å; E44-R46 PolarHBondContact OE2-NE 3.08Å; E44-R46 IonicContact OE2-NH2 2.72Å; E44-R46 PolarHBondContact OE2-NH2 3.36Å; E44-E47 HydrophobicContact CB-CG 4.05Å; E44-E47 PolarHBondContact O-N 2.84Å; E44-E47 VanDerWaalsContact O-N 3.1Å
45	R	89.6	Confident	93.6	Very high	178 Å²	178	52.3 Å²	52.3	67%	0.672	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-56.7	-35.1	-177.2	-68.7	-166.8	176.8	-172.7	-3.7	113.9	E47 T48 P81 L82	R45-E47 PolarHBondContact O-N 3.3Å; R45-T48 WeakPolarHBondContact O-CB 3.35Å; R45-T48 PolarHBondContact O-N 3.38Å; R45-T48 PolarHBondContact O-OG1 2.86Å; R45-P81 HydrophobicContact CG-CB 3.85Å; R45-P81 HydrophobicContact CG-CG 3.43Å; R45-P81 VanDerWaalsContact CG-CG 3.43Å; R45-L82 HydrophobicContact CG-CD1 4.41Å
46	R	91.7	Very high	93.4	Very high	194 Å²	194	52.1 Å²	52.1	73%	0.732	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60.8	-27.6	-178.6	60.6	176.6	176.1	-172.1	-2	113.1	E44 T48	E44-R46 HydrophobicContact CB-CG 4.25Å; E44-R46 PolarHBondContact O-N 2.72Å; E44-R46 VanDerWaalsContact O-N 3.14Å; E44-R46 IonicContact OE1-NH2 3.14Å; E44-R46 PolarHBondContact OE1-NH2 2.92Å; E44-R46 IonicContact OE2-CZ 3.47Å; E44-R46 IonicContact OE2-NE 2.72Å; E44-R46 PolarHBondContact OE2-NE 3.08Å; E44-R46 IonicContact OE2-NH2 2.72Å; E44-R46 PolarHBondContact OE2-NH2 3.36Å; R46-T48 VanDerWaalsContact C-N 3.33Å; R46-T48 PolarHBondContact O-N 2.76Å
47	E	91.2	Very high	93.1	Very high	41 Å²	41	56.9 Å²	56.9	19%	0.192	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-81.4	-11.5	-177.7	-60.7	-55.2	126.6	0	0	113.2	E44 R45 S49 R50 L51	E44-E47 HydrophobicContact CB-CG 4.05Å; E44-E47 PolarHBondContact O-N 2.84Å; E44-E47 VanDerWaalsContact O-N 3.1Å; R45-E47 PolarHBondContact O-N 3.3Å; E47-S49 PolarHBondContact O-N 3.48Å; E47-R50 PolarHBondContact O-N 2.91Å; E47-R50 VanDerWaalsContact O-N 3.17Å; E47-R50 IonicContact OE2-CZ 3.95Å; E47-R50 IonicContact OE2-NE 3.99Å; E47-R50 PolarHBondContact OE2-NE 3.04Å; E47-R50 IonicContact OE2-NH2 3.1Å; E47-R50 PolarHBondContact OE2-NH2 3.26Å; E47-L51 HydrophobicContact CB-CD1 3.86Å; E47-L51 HydrophobicContact CB-CG 4.22Å; E47-L51 WeakPolarHBondContact O-CG 3.31Å; E47-L51 PolarHBondContact O-N 3.26Å
48	T	92.9	Very high	92.8	Very high	27 Å²	27	59.4 Å²	59.4	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-54.2	-47.5	-171.7	-52.4	0	0	0	0	113.3	I42 R45 R46 R50 L51 V52 V70 L82	I42-T48 HydrophobicContact CD1-CG2 3.86Å; R45-T48 WeakPolarHBondContact O-CB 3.35Å; R45-T48 PolarHBondContact O-N 3.38Å; R45-T48 PolarHBondContact O-OG1 2.86Å; R46-T48 VanDerWaalsContact C-N 3.33Å; R46-T48 PolarHBondContact O-N 2.76Å; T48-R50 PolarHBondContact O-N 2.95Å; T48-L51 PolarHBondContact O-N 3.13Å; T48-V52 HydrophobicContact CG2-CG2 4.36Å; T48-V52 WeakPolarHBondContact O-CB 3.19Å; T48-V52 VanDerWaalsContact O-CG2 3.26Å; T48-V52 WeakPolarHBondContact O-CG2 3.47Å; T48-V52 PolarHBondContact O-N 3.31Å; T48-V70 HydrophobicContact CG2-CG1 4.25Å; T48-V70 HydrophobicContact CG2-CG2 4.14Å; T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 WeakPolarHBondContact OG1-CD1 3.41Å
49	S	94.1	Very high	92.5	Very high	75 Å²	75	61 Å²	61	52%	0.524	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-39.8	-177	-171.8	0	0	0	0	112	E47 K53	E47-S49 PolarHBondContact O-N 3.48Å; S49-K53 VanDerWaalsContact O-CG 3.28Å; S49-K53 WeakPolarHBondContact O-CG 3.18Å; S49-K53 PolarHBondContact O-N 2.7Å
50	R	93.8	Very high	92.3	Very high	64 Å²	64	64.6 Å²	64.6	24%	0.242	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-54	175.6	179.2	179.2	69	90.9	-2.2	110.4	E47 T48 V52 K53 E54 N112 N114	E47-R50 PolarHBondContact O-N 2.91Å; E47-R50 VanDerWaalsContact O-N 3.17Å; E47-R50 IonicContact OE2-CZ 3.95Å; E47-R50 IonicContact OE2-NE 3.99Å; E47-R50 PolarHBondContact OE2-NE 3.04Å; E47-R50 IonicContact OE2-NH2 3.1Å; E47-R50 PolarHBondContact OE2-NH2 3.26Å; T48-R50 PolarHBondContact O-N 2.95Å; R50-V52 PolarHBondContact O-N 2.72Å; R50-K53 PolarHBondContact O-N 3.31Å; R50-K53 VanDerWaalsContact O-N 3.12Å; R50-E54 VanDerWaalsContact CD-OE1 3.28Å; R50-E54 WeakPolarHBondContact CD-OE1 3.43Å; R50-E54 HydrophobicContact CG-CG 4.32Å; R50-E54 WeakPolarHBondContact CG-OE1 3.28Å; R50-E54 IonicContact CZ-OE1 2.6Å; R50-E54 IonicContact NE-OE1 3.7Å; R50-E54 IonicContact NH1-OE1 3.93Å; R50-E54 PolarHBondContact NH1-OE1 3.44Å; R50-E54 VanDerWaalsContact NH1-OE1 3.1Å; R50-E54 IonicContact NH1-OE2 3.17Å; R50-E54 PolarHBondContact NH1-OE2 3.03Å; R50-E54 PolarHBondContact O-N 2.62Å; R50-N112 PolarHBondContact NH1-O 3.47Å; R50-N112 VanDerWaalsContact NH1-O 3.08Å; R50-N114 PolarHBondContact NH2-O 3.44Å
51	L	92.9	Very high	92.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-44.7	-178.8	-69.5	171.1	0	0	0	112	I42 E47 T48 K53 E54 L55 F111 L116	I42-L51 HydrophobicContact CG1-CD1 4.38Å; I42-L51 HydrophobicContact CG2-CD1 3.92Å; E47-L51 HydrophobicContact CB-CD1 3.86Å; E47-L51 HydrophobicContact CB-CG 4.22Å; E47-L51 WeakPolarHBondContact O-CG 3.31Å; E47-L51 PolarHBondContact O-N 3.26Å; T48-L51 PolarHBondContact O-N 3.13Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.07Å; L51-E54 PolarHBondContact O-N 3.21Å; L51-L55 WeakPolarHBondContact O-CB 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.49Å; L51-F111 HydrophobicContact CD2-CZ 3.98Å; L51-L116 HydrophobicContact CD1-CD2 3.86Å; L51-L116 HydrophobicContact CD1-CG 4.03Å; L51-L116 HydrophobicContact CD2-CD1 4.05Å; L51-L116 HydrophobicContact CD2-CD2 4.42Å; L51-L116 HydrophobicContact CD2-CG 3.85Å
52	V	93.8	Very high	92	Very high	40 Å²	40	69.5 Å²	69.5	24%	0.242	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-41.6	177.5	169.5	0	0	0	0	111.8	T48 R50 S56 V70 V84	T48-V52 HydrophobicContact CG2-CG2 4.36Å; T48-V52 WeakPolarHBondContact O-CB 3.19Å; T48-V52 VanDerWaalsContact O-CG2 3.26Å; T48-V52 WeakPolarHBondContact O-CG2 3.47Å; T48-V52 PolarHBondContact O-N 3.31Å; R50-V52 PolarHBondContact O-N 2.72Å; V52-S56 VanDerWaalsContact O-CB 3.31Å; V52-S56 WeakPolarHBondContact O-CB 3.17Å; V52-S56 PolarHBondContact O-N 3.07Å; V52-S56 PolarHBondContact O-OG 3.47Å; V52-V70 HydrophobicContact CG2-CG2 3.32Å; V52-V84 HydrophobicContact CG2-CG2 4.4Å
53	K	92.6	Very high	91.8	Very high	138 Å²	138	76.2 Å²	76.2	60%	0.6	38%	0.381	S	S	*	.	H	α-helix	trans	-65.5	-51.4	177.8	-73.9	173.6	-177.6	179.2	0	111.3	S49 R50 L51 S56 L57	S49-K53 VanDerWaalsContact O-CG 3.28Å; S49-K53 WeakPolarHBondContact O-CG 3.18Å; S49-K53 PolarHBondContact O-N 2.7Å; R50-K53 PolarHBondContact O-N 3.31Å; R50-K53 VanDerWaalsContact O-N 3.12Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 3.07Å; K53-S56 PolarHBondContact O-N 2.87Å; K53-S56 VanDerWaalsContact O-N 3.14Å; K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.32Å
54	E	92.1	Very high	92	Very high	46 Å²	46	72.4 Å²	72.4	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-46.7	179.9	-70.2	178.7	-159.5	0	0	111.4	R50 L51 S56 L57 I58 F111	R50-E54 VanDerWaalsContact CD-OE1 3.28Å; R50-E54 WeakPolarHBondContact CD-OE1 3.43Å; R50-E54 HydrophobicContact CG-CG 4.32Å; R50-E54 WeakPolarHBondContact CG-OE1 3.28Å; R50-E54 IonicContact CZ-OE1 2.6Å; R50-E54 IonicContact NE-OE1 3.7Å; R50-E54 IonicContact NH1-OE1 3.93Å; R50-E54 PolarHBondContact NH1-OE1 3.44Å; R50-E54 VanDerWaalsContact NH1-OE1 3.1Å; R50-E54 IonicContact NH1-OE2 3.17Å; R50-E54 PolarHBondContact NH1-OE2 3.03Å; R50-E54 PolarHBondContact O-N 2.62Å; L51-E54 PolarHBondContact O-N 3.21Å; E54-S56 PolarHBondContact O-N 3.25Å; E54-L57 WeakPolarHBondContact O-CB 3.38Å; E54-L57 PolarHBondContact O-N 3.02Å; E54-L57 VanDerWaalsContact O-N 3.08Å; E54-I58 PolarHBondContact O-N 3.19Å; E54-I58 VanDerWaalsContact O-N 3.1Å; E54-F111 HydrophobicContact CB-CD2 3.84Å; E54-F111 HydrophobicContact CB-CE2 3.53Å; E54-F111 WeakPolarHBondContact OE2-CD2 3.27Å; E54-F111 WeakPolarHBondContact OE2-CE2 3.18Å
55	L	92.5	Very high	92.2	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-31.7	176.3	-72	173.6	0	0	0	112.3	L51 L57 H59 R69 V84 V86 L106 F111	L51-L55 WeakPolarHBondContact O-CB 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.31Å; L51-L55 PolarHBondContact O-N 3.49Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L55-L57 PolarHBondContact O-N 2.96Å; L55-H59 CarbonylContact O-C 3.57Å; L55-H59 WeakPolarHBondContact O-CA 3.44Å; L55-H59 PolarHBondContact O-N 3.1Å; L55-R69 PolarHBondContact O-NH1 3.17Å; L55-R69 PolarHBondContact O-NH2 2.89Å; L55-R69 VanDerWaalsContact O-NH2 3.08Å; L55-V84 HydrophobicContact CD1-CG1 3.95Å; L55-V84 HydrophobicContact CD1-CG2 3.73Å; L55-V86 HydrophobicContact CD2-CG1 4.04Å; L55-L106 HydrophobicContact CD2-CD2 3.62Å; L55-F111 HydrophobicContact CD2-CE2 3.96Å; L55-F111 HydrophobicContact CD2-CZ 3.83Å; L55-F111 HydrophobicContact CG-CE2 4.1Å; L55-F111 HydrophobicContact CG-CZ 4.08Å
56	S	91.9	Very high	92.5	Very high	52 Å²	52	69.3 Å²	69.3	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-71.8	-22.7	176.4	-56.4	0	0	0	0	113.7	V52 K53 E54 R69	V52-S56 VanDerWaalsContact O-CB 3.31Å; V52-S56 WeakPolarHBondContact O-CB 3.17Å; V52-S56 PolarHBondContact O-N 3.07Å; V52-S56 PolarHBondContact O-OG 3.47Å; K53-S56 PolarHBondContact O-N 2.87Å; K53-S56 VanDerWaalsContact O-N 3.14Å; E54-S56 PolarHBondContact O-N 3.25Å; S56-R69 VanDerWaalsContact N-NH1 3.19Å; S56-R69 PolarHBondContact OG-NH1 3.03Å
57	L	90.2	Very high	92.7	Very high	150 Å²	150	60.7 Å²	60.7	79%	0.785	32%	0.323	S	S	*	.	H	α-helix	trans	-82.4	-40	174.2	-65.2	171	0	0	0	111.7	K53 E54 L55	K53-L57 WeakPolarHBondContact O-CG 3.41Å; K53-L57 PolarHBondContact O-N 3.32Å; E54-L57 WeakPolarHBondContact O-CB 3.38Å; E54-L57 PolarHBondContact O-N 3.02Å; E54-L57 VanDerWaalsContact O-N 3.08Å; L55-L57 VanDerWaalsContact C-N 3.28Å; L55-L57 PolarHBondContact O-N 2.96Å
58	I	89.7	Confident	93	Very high	54 Å²	54	64.4 Å²	64.4	28%	0.277	34%	0.338	S	S	.	.	H	α-helix	trans	-85.1	-45.3	-174.9	-60.4	164.5	0	0	0	111.5	E54 P60 F111	E54-I58 PolarHBondContact O-N 3.19Å; E54-I58 VanDerWaalsContact O-N 3.1Å; I58-P60 WeakPolarHBondContact O-CD 3.48Å; I58-F111 HydrophobicContact CD1-CB 3.75Å; I58-F111 HydrophobicContact CD1-CD2 3.25Å; I58-F111 HydrophobicContact CD1-CE2 4.1Å; I58-F111 HydrophobicContact CD1-CG 3.81Å
59	H	91.1	Very high	93.1	Very high	36 Å²	36	64.6 Å²	64.6	17%	0.167	34%	0.336	C	S	.	.	S	Bend	trans	-125.8	74	-178.2	-72.3	-60.2	0	0	0	109.6	L55 R69 V86 C87 L105	L55-H59 CarbonylContact O-C 3.57Å; L55-H59 WeakPolarHBondContact O-CA 3.44Å; L55-H59 PolarHBondContact O-N 3.1Å; H59-R69 PolarHBondContact O-NH1 3.24Å; H59-R69 PolarHBondContact O-NH2 2.87Å; H59-V86 WeakPolarHBondContact CB-O 3.45Å; H59-C87 HydrophobicContact CB-CB 3.92Å; H59-L105 PolarHBondContact NE2-O 2.96Å
60	P	92.2	Very high	93.2	Very high	76 Å²	76	62.7 Å²	62.7	49%	0.494	32%	0.321	S	S	.	.			trans	-60.1	148.2	170.7	27.9	-34.1	0	0	0	109.7	I58 P62	I58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-P62 WeakPolarHBondContact O-CD 3.39Å
61	L	92.8	Very high	93.3	Very high	28 Å²	28	60.4 Å²	60.4	15%	0.147	31%	0.312	C	S	.	.			trans	-108.3	74.6	175.3	-62.5	175.8	0	0	0	108.8	L64 R69 I85 L88	L61-L64 HydrophobicContact CB-CB 4.1Å; L61-L64 HydrophobicContact CB-CD1 4.4Å; L61-L64 PolarHBondContact O-N 3.14Å; L61-R69 HydrophobicContact CD1-CG 4.49Å; L61-I85 HydrophobicContact CD1-CB 4.33Å; L61-I85 HydrophobicContact CD1-CG2 3.81Å; L61-I85 HydrophobicContact CD2-CG2 4.34Å; L61-L88 HydrophobicContact CD2-CG 4.46Å
62	P	91.1	Very high	93.3	Very high	89 Å²	89	64.8 Å²	64.8	58%	0.578	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	145	-179.9	28.2	-35	0	0	0	109.9	P60 L64	P60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-L64 PolarHBondContact O-N 2.74Å
63	N	91.1	Very high	93.2	Very high	142 Å²	142	63.9 Å²	63.9	76%	0.759	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	5.5	-179.6	-49.6	-42.1	0	0	0	116
64	L	95.4	Very high	92.6	Very high	11 Å²	11	63.3 Å²	63.3	6%	0.058	33%	0.334	C	S	.	.			trans	-114.8	33.3	177.2	-63.4	176.6	0	0	0	112.4	L61 P62 H66 I67 L88 I124 A126	L61-L64 HydrophobicContact CB-CB 4.1Å; L61-L64 HydrophobicContact CB-CD1 4.4Å; L61-L64 PolarHBondContact O-N 3.14Å; P62-L64 PolarHBondContact O-N 2.74Å; L64-H66 PolarHBondContact O-N 2.71Å; L64-H66 VanDerWaalsContact O-N 3.17Å; L64-I67 HydrophobicContact CB-CG1 4.2Å; L64-I67 HydrophobicContact CD2-CG1 4.41Å; L64-I67 WeakPolarHBondContact O-CB 3.23Å; L64-I67 PolarHBondContact O-N 2.82Å; L64-L88 HydrophobicContact CD1-CD1 4.13Å; L64-L88 HydrophobicContact CD1-CD2 3.79Å; L64-L88 HydrophobicContact CD1-CG 4.31Å; L64-I124 HydrophobicContact CD1-CD1 4.16Å; L64-A126 VanDerWaalsContact CD2-O 3.24Å; L64-A126 WeakPolarHBondContact CD2-O 3.45Å
65	Q	94.2	Very high	92.2	Very high	180 Å²	180	67.8 Å²	67.8	84%	0.841	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.5	-178.9	-64.1	166.9	9	0	0	112.6	I67	Q65-I67 VanDerWaalsContact C-N 3.27Å; Q65-I67 PolarHBondContact O-N 3.29Å
66	H	95.1	Very high	91.3	Very high	13 Å²	13	77.7 Å²	77.7	6%	0.06	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.1	173.7	60.2	-72.1	0	0	0	112.9	L64 P125 N127 P128 T144 S145	L64-H66 PolarHBondContact O-N 2.71Å; L64-H66 VanDerWaalsContact O-N 3.17Å; H66-P125 PolarHBondContact NE2-O 3.34Å; H66-N127 VanDerWaalsContact NE2-C 3.33Å; H66-N127 PolarHBondContact NE2-O 3.1Å; H66-P128 HydrophobicContact CB-CB 3.95Å; H66-T144 PolarHBondContact CD2-OG1 3.16Å; H66-T144 CarbonylContact O-C 3.55Å; H66-T144 VanDerWaalsContact O-CA 3.23Å; H66-T144 WeakPolarHBondContact O-CA 3.3Å; H66-T144 PolarHBondContact O-OG1 3Å; H66-S145 VanDerWaalsContact CA-OG 3.25Å; H66-S145 WeakPolarHBondContact CA-OG 3.43Å; H66-S145 PolarHBondContact O-N 3.14Å; H66-S145 PolarHBondContact O-OG 2.56Å
67	I	96.8	Very high	90.7	Very high	13 Å²	13	83 Å²	83	7%	0.067	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-82.1	124.1	-178	-60	-57	0	0	0	110.2	L64 Q65 R69 I85 P125 W142	L64-I67 HydrophobicContact CB-CG1 4.2Å; L64-I67 HydrophobicContact CD2-CG1 4.41Å; L64-I67 WeakPolarHBondContact O-CB 3.23Å; L64-I67 PolarHBondContact O-N 2.82Å; Q65-I67 VanDerWaalsContact C-N 3.27Å; Q65-I67 PolarHBondContact O-N 3.29Å; I67-R69 PolarHBondContact O-N 2.9Å; I67-I85 HydrophobicContact CG2-CD1 3.4Å; I67-P125 HydrophobicContact CD1-CB 4.11Å; I67-P125 HydrophobicContact CD1-CG 4.12Å; I67-W142 HydrophobicContact CG2-CG 4.44Å
68	K	96.1	Very high	90.2	Very high	119 Å²	119	77.2 Å²	77.2	52%	0.517	39%	0.394	S	S	.	.			trans	-74	113.9	171.7	-61.6	-174.4	179.9	-178.8	0	108.4	V70 W142 P143	K68-V70 PolarHBondContact O-N 2.88Å; K68-W142 PolarHBondContact O-NE1 2.9Å; K68-P143 HydrophobicContact CB-CB 4.17Å; K68-P143 WeakPolarHBondContact CB-O 3.12Å; K68-P143 HydrophobicContact CD-CB 4.03Å; K68-P143 HydrophobicContact CG-CB 4.4Å; K68-P143 PolarHBondContact N-O 2.87Å
69	R	96.2	Very high	89.9	Confident	30 Å²	30	80.9 Å²	80.9	11%	0.113	42%	0.421	C	S	.	.	S	Bend	trans	-57	-28.5	-172.9	-159.4	177.5	-171.8	133.4	12.1	114.8	L55 S56 H59 L61 I67 V84 I85 V86	L55-R69 PolarHBondContact O-NH1 3.17Å; L55-R69 PolarHBondContact O-NH2 2.89Å; L55-R69 VanDerWaalsContact O-NH2 3.08Å; S56-R69 VanDerWaalsContact N-NH1 3.19Å; S56-R69 PolarHBondContact OG-NH1 3.03Å; H59-R69 PolarHBondContact O-NH1 3.24Å; H59-R69 PolarHBondContact O-NH2 2.87Å; L61-R69 HydrophobicContact CD1-CG 4.49Å; I67-R69 PolarHBondContact O-N 2.9Å; R69-V84 HydrophobicContact CG-CG2 4Å; R69-V84 WeakPolarHBondContact O-CA 3.42Å; R69-I85 HydrophobicContact CG-CB 4.36Å; R69-I85 PolarHBondContact NE-O 2.8Å; R69-I85 PolarHBondContact O-N 3.46Å; R69-V86 PolarHBondContact NH2-O 2.83Å
70	V	96.5	Very high	89.6	Confident	36 Å²	36	80.5 Å²	80.5	22%	0.218	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.5	-179.2	-178.7	0	0	0	0	110.3	I42 T48 V52 K68 L82 E83 V84	I42-V70 HydrophobicContact CD1-CG1 4.15Å; I42-V70 HydrophobicContact CD1-CG2 4.35Å; T48-V70 HydrophobicContact CG2-CG1 4.25Å; T48-V70 HydrophobicContact CG2-CG2 4.14Å; V52-V70 HydrophobicContact CG2-CG2 3.32Å; K68-V70 PolarHBondContact O-N 2.88Å; V70-L82 HydrophobicContact CG1-CB 4.1Å; V70-L82 HydrophobicContact CG1-CD1 4.22Å; V70-L82 HydrophobicContact CG1-CD2 4.25Å; V70-L82 HydrophobicContact CG1-CG 4.42Å; V70-E83 CarbonylContact C-O 3.5Å; V70-E83 VanDerWaalsContact CA-O 3.32Å; V70-E83 WeakPolarHBondContact CA-O 3.41Å; V70-V84 HydrophobicContact CG2-CB 4.17Å; V70-V84 HydrophobicContact CG2-CG2 3.85Å
71	R	95	Very high	89.4	Confident	15 Å²	15	78.5 Å²	78.5	6%	0.057	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.9	169.5	71	176.2	-173.8	-160.4	-4.5	111.9	L82 E83 H141 W142 P143	R71-L82 CarbonylContact O-C 3.59Å; R71-L82 WeakPolarHBondContact O-CA 3.24Å; R71-E83 HydrophobicContact CG-CB 4.04Å; R71-E83 IonicContact CZ-OE2 3.03Å; R71-E83 PolarHBondContact N-O 2.88Å; R71-E83 IonicContact NE-OE2 3.78Å; R71-E83 PolarHBondContact NE-OE2 3.31Å; R71-E83 IonicContact NH2-OE2 2.62Å; R71-E83 PolarHBondContact NH2-OE2 2.8Å; R71-E83 PolarHBondContact O-N 2.89Å; R71-H141 PolarHBondContact NH1-O 2.7Å; R71-H141 VanDerWaalsContact NH1-O 3.09Å; R71-W142 HydrophobicContact CB-CZ2 4.06Å; R71-W142 HydrophobicContact CG-CH2 3.63Å; R71-W142 HydrophobicContact CG-CZ2 3.6Å; R71-W142 HydrophobicContact CG-CZ3 4.17Å; R71-W142 VanDerWaalsContact NE-CZ3 3.26Å; R71-W142 VanDerWaalsContact NH1-CZ3 3.33Å; R71-P143 HydrophobicContact CB-CG 3.67Å
72	P	93.6	Very high	89.5	Confident	93 Å²	93	78.5 Å²	78.5	60%	0.604	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	144.9	161.3	-19.5	32.8	0	0	0	111.1
73	C	90.1	Very high	89.8	Confident	21 Å²	21	74.8 Å²	74.8	14%	0.142	38%	0.382	C	S	.	.			trans	-58.3	141.6	172.5	-174.4	0	0	0	0	110.5	H75 S78 H80 P81 E83	C73-H75 VanDerWaalsContact C-N 3.32Å; C73-H75 PolarHBondContact O-N 2.9Å; C73-S78 WeakPolarHBondContact SG-CB 3.44Å; C73-S78 PolarHBondContact SG-OG 3.17Å; C73-H80 VanDerWaalsContact CB-O 3.28Å; C73-H80 WeakPolarHBondContact CB-O 3.34Å; C73-H80 PolarHBondContact SG-CE1 2.69Å; C73-P81 PolarHBondContact N-O 3.17Å; C73-P81 VanDerWaalsContact N-O 3.09Å; C73-E83 WeakPolarHBondContact CA-OE1 3.36Å; C73-E83 PolarHBondContact SG-OE1 3.17Å
74	K	80.4	Confident	90	Very high	126 Å²	126	68 Å²	68	55%	0.548	35%	0.345	S	S	.	.	S	Bend	trans	-68	-31.2	-179.1	-73.1	-170.9	173.1	-174.3	0	112.9
75	H	84.5	Confident	90.1	Very high	140 Å²	140	67.5 Å²	67.5	65%	0.648	34%	0.343	S	S	*	.			trans	-98.3	122.6	-177.5	-61.8	-76	0	0	0	110	C73 D77 S78	C73-H75 VanDerWaalsContact C-N 3.32Å; C73-H75 PolarHBondContact O-N 2.9Å; H75-D77 PolarHBondContact O-N 2.81Å; H75-S78 WeakPolarHBondContact O-CB 3.32Å; H75-S78 PolarHBondContact O-N 3.5Å; H75-S78 VanDerWaalsContact O-N 3.13Å
76	K	74.1	Confident	90.1	Very high	207 Å²	207	59 Å²	59	90%	0.9	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.4	-179.2	-72.7	-173.8	177.7	-179.6	0	113.1	S78	K76-S78 VanDerWaalsContact C-N 3.3Å
77	D	79.6	Confident	90.1	Very high	163 Å²	163	58.3 Å²	58.3	87%	0.872	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	10	179	-50.3	-49.2	0	0	0	112.7	H75	H75-D77 PolarHBondContact O-N 2.81Å
78	S	79.4	Confident	90	Very high	29 Å²	29	58.8 Å²	58.8	20%	0.203	30%	0.302	C	S	.	.			trans	-65.4	141.3	179.3	-178.5	0	0	0	0	111.4	C73 H75 K76 H80	C73-S78 WeakPolarHBondContact SG-CB 3.44Å; C73-S78 PolarHBondContact SG-OG 3.17Å; H75-S78 WeakPolarHBondContact O-CB 3.32Å; H75-S78 PolarHBondContact O-N 3.5Å; H75-S78 VanDerWaalsContact O-N 3.13Å; K76-S78 VanDerWaalsContact C-N 3.3Å; S78-H80 PolarHBondContact O-N 3.24Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-CD2 3.04Å; S78-H80 PolarHBondContact OG-N 2.96Å; S78-H80 PolarHBondContact OG-NE2 3.4Å; S78-H80 VanDerWaalsContact OG-NE2 3.11Å; S78-H80 PolarHBondContact OG-O 2.7Å
79	P	82	Confident	89.9	Confident	131 Å²	131	54.2 Å²	54.2	85%	0.851	28%	0.284	S	S	*	.	S	Bend	trans	-66.4	-12.4	175.6	28.4	-36.1	0	0	0	113.2
80	H	86.3	Confident	89.7	Confident	28 Å²	28	57.4 Å²	57.4	13%	0.13	31%	0.311	C	S	.	.			trans	-121.1	138.3	179.5	61.4	91.1	0	0	0	112.2	P41 L43 C73 S78 L82 E83	P41-H80 HydrophobicContact CB-CB 4.06Å; L43-H80 HydrophobicContact CD2-CB 4.31Å; C73-H80 VanDerWaalsContact CB-O 3.28Å; C73-H80 WeakPolarHBondContact CB-O 3.34Å; C73-H80 PolarHBondContact SG-CE1 2.69Å; S78-H80 PolarHBondContact O-N 3.24Å; S78-H80 VanDerWaalsContact O-N 3.14Å; S78-H80 PolarHBondContact OG-CD2 3.04Å; S78-H80 PolarHBondContact OG-N 2.96Å; S78-H80 PolarHBondContact OG-NE2 3.4Å; S78-H80 VanDerWaalsContact OG-NE2 3.11Å; S78-H80 PolarHBondContact OG-O 2.7Å; H80-L82 PolarHBondContact ND1-O 2.91Å; H80-E83 IonicContact CE1-OE1 3.77Å
81	P	87.3	Confident	89.3	Confident	35 Å²	35	59.9 Å²	59.9	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	-79.3	-28.4	-174.1	27.2	-34.6	0	0	0	114.5	I42 R45 C73	I42-P81 WeakPolarHBondContact O-CD 3.35Å; R45-P81 HydrophobicContact CG-CB 3.85Å; R45-P81 HydrophobicContact CG-CG 3.43Å; R45-P81 VanDerWaalsContact CG-CG 3.43Å; C73-P81 PolarHBondContact N-O 3.17Å; C73-P81 VanDerWaalsContact N-O 3.09Å
82	L	95.1	Very high	88.9	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.6	-169.9	-60.6	172.2	0	0	0	110.4	I42 R45 T48 V70 R71 H80	I42-L82 HydrophobicContact CB-CB 4.06Å; I42-L82 HydrophobicContact CD1-CB 4.02Å; I42-L82 HydrophobicContact CD1-CD1 4.41Å; I42-L82 HydrophobicContact CG1-CB 4.3Å; I42-L82 PolarHBondContact N-O 3.37Å; R45-L82 HydrophobicContact CG-CD1 4.41Å; T48-L82 HydrophobicContact CG2-CD1 4.09Å; T48-L82 WeakPolarHBondContact OG1-CD1 3.41Å; V70-L82 HydrophobicContact CG1-CB 4.1Å; V70-L82 HydrophobicContact CG1-CD1 4.22Å; V70-L82 HydrophobicContact CG1-CD2 4.25Å; V70-L82 HydrophobicContact CG1-CG 4.42Å; R71-L82 CarbonylContact O-C 3.59Å; R71-L82 WeakPolarHBondContact O-CA 3.24Å; H80-L82 PolarHBondContact ND1-O 2.91Å
83	E	96.1	Very high	88.3	Confident	11 Å²	11	64.8 Å²	64.8	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.8	174.7	-65.9	165.5	-161.3	0	0	108.6	A40 V70 R71 C73 H80 F120 W142	A40-E83 WeakPolarHBondContact O-CA 3.34Å; V70-E83 CarbonylContact C-O 3.5Å; V70-E83 VanDerWaalsContact CA-O 3.32Å; V70-E83 WeakPolarHBondContact CA-O 3.41Å; R71-E83 HydrophobicContact CG-CB 4.04Å; R71-E83 IonicContact CZ-OE2 3.03Å; R71-E83 PolarHBondContact N-O 2.88Å; R71-E83 IonicContact NE-OE2 3.78Å; R71-E83 PolarHBondContact NE-OE2 3.31Å; R71-E83 IonicContact NH2-OE2 2.62Å; R71-E83 PolarHBondContact NH2-OE2 2.8Å; R71-E83 PolarHBondContact O-N 2.89Å; C73-E83 WeakPolarHBondContact CA-OE1 3.36Å; C73-E83 PolarHBondContact SG-OE1 3.17Å; H80-E83 IonicContact CE1-OE1 3.77Å; E83-F120 HydrophobicContact CB-CZ 4.46Å; E83-F120 HydrophobicContact CG-CZ 4.06Å; E83-W142 HydrophobicContact CB-CH2 4.21Å
84	V	96.4	Very high	87.8	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	-177.9	63.5	0	0	0	0	111.3	A39 A40 I42 V52 L55 R69 V70 L116	A39-V84 CarbonylContact C-O 3.19Å; A39-V84 WeakPolarHBondContact CA-O 3.31Å; A40-V84 PolarHBondContact N-O 2.91Å; A40-V84 PolarHBondContact O-N 2.83Å; I42-V84 HydrophobicContact CD1-CB 3.99Å; I42-V84 HydrophobicContact CD1-CG1 4.24Å; I42-V84 HydrophobicContact CG1-CB 4.03Å; I42-V84 HydrophobicContact CG1-CG1 3.81Å; V52-V84 HydrophobicContact CG2-CG2 4.4Å; L55-V84 HydrophobicContact CD1-CG1 3.95Å; L55-V84 HydrophobicContact CD1-CG2 3.73Å; R69-V84 HydrophobicContact CG-CG2 4Å; R69-V84 WeakPolarHBondContact O-CA 3.42Å; V70-V84 HydrophobicContact CG2-CB 4.17Å; V70-V84 HydrophobicContact CG2-CG2 3.85Å; V84-L116 HydrophobicContact CG1-CD2 3.61Å
85	I	97.1	Very high	87.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.3	169.5	-62.5	168	0	0	0	109.1	A37 L61 I67 R69 I124 W142	A37-I85 HydrophobicContact CB-CG2 4.24Å; L61-I85 HydrophobicContact CD1-CB 4.33Å; L61-I85 HydrophobicContact CD1-CG2 3.81Å; L61-I85 HydrophobicContact CD2-CG2 4.34Å; I67-I85 HydrophobicContact CG2-CD1 3.4Å; R69-I85 HydrophobicContact CG-CB 4.36Å; R69-I85 PolarHBondContact NE-O 2.8Å; R69-I85 PolarHBondContact O-N 3.46Å; I85-I124 HydrophobicContact CD1-CD1 4.15Å; I85-I124 HydrophobicContact CD1-CG2 4Å; I85-W142 HydrophobicContact CD1-CD2 3.89Å; I85-W142 HydrophobicContact CD1-CG 4.2Å; I85-W142 HydrophobicContact CD1-CZ2 3.91Å; I85-W142 HydrophobicContact CG1-CD2 4.19Å; I85-W142 HydrophobicContact CG1-CE3 4.43Å; I85-W142 HydrophobicContact CG1-CH2 3.84Å; I85-W142 HydrophobicContact CG1-CZ2 3.52Å; I85-W142 HydrophobicContact CG1-CZ3 4.27Å
86	V	94.8	Very high	87.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-67	176.6	-176.7	0	0	0	0	109.3	Y38 A40 L55 H59 R69 L105 L106	Y38-V86 PolarHBondContact O-N 2.67Å; A40-V86 HydrophobicContact CB-CG2 3.87Å; L55-V86 HydrophobicContact CD2-CG1 4.04Å; H59-V86 WeakPolarHBondContact CB-O 3.45Å; R69-V86 PolarHBondContact NH2-O 2.83Å; V86-L105 HydrophobicContact CG1-CB 4.29Å; V86-L105 HydrophobicContact CG1-CD1 4.25Å; V86-L106 HydrophobicContact CG1-CD2 4.11Å
87	C	94.1	Very high	87.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	173.1	-177.1	55.5	0	0	0	0	111.2	Y38 H59	Y38-C87 PolarHBondContact N-O 2.72Å; H59-C87 HydrophobicContact CB-CB 3.92Å
88	L	94.7	Very high	87.7	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.115	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	149.1	170.8	-58.9	176.8	0	0	0	110.5	A37 L61 L64 S90 D91 I124	A37-L88 HydrophobicContact CB-CD2 4.12Å; L61-L88 HydrophobicContact CD2-CG 4.46Å; L64-L88 HydrophobicContact CD1-CD1 4.13Å; L64-L88 HydrophobicContact CD1-CD2 3.79Å; L64-L88 HydrophobicContact CD1-CG 4.31Å; L88-S90 WeakPolarHBondContact CB-OG 3.28Å; L88-S90 PolarHBondContact O-N 3.11Å; L88-D91 WeakPolarHBondContact CB-OD2 3.43Å; L88-D91 PolarHBondContact N-OD2 3.42Å; L88-D91 PolarHBondContact O-N 3.43Å; L88-D91 VanDerWaalsContact O-N 3.13Å; L88-I124 HydrophobicContact CD2-CD1 4.02Å
89	V	94	Very high	87.8	Confident	23 Å²	23	64.1 Å²	64.1	14%	0.139	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-63.6	-30.7	175.7	175.8	0	0	0	0	111	P36 Y38 D91 V92 P97 I121	P36-V89 HydrophobicContact CB-CB 4.15Å; P36-V89 HydrophobicContact CB-CG2 3.85Å; P36-V89 HydrophobicContact CG-CB 4.14Å; P36-V89 HydrophobicContact CG-CG2 4.4Å; P36-V89 PolarHBondContact O-N 3.1Å; P36-V89 VanDerWaalsContact O-N 3.07Å; Y38-V89 HydrophobicContact CD2-CB 4.48Å; Y38-V89 HydrophobicContact CD2-CG2 3.86Å; Y38-V89 HydrophobicContact CE1-CG2 4.42Å; Y38-V89 HydrophobicContact CE2-CB 4.08Å; Y38-V89 HydrophobicContact CE2-CG1 4.15Å; Y38-V89 HydrophobicContact CE2-CG2 3.69Å; Y38-V89 HydrophobicContact CG-CG2 4.31Å; V89-D91 PolarHBondContact O-N 3.08Å; V89-V92 PolarHBondContact O-N 3.35Å; V89-P97 HydrophobicContact CG1-CB 4.2Å; V89-I121 HydrophobicContact CG2-CD1 4.47Å; V89-I121 HydrophobicContact CG2-CG1 4.34Å; V89-I121 HydrophobicContact CG2-CG2 4.45Å
90	S	91.8	Very high	87.9	Confident	97 Å²	97	58.5 Å²	58.5	68%	0.678	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.2	175.5	52.2	0	0	0	0	114.2	L88 V92	L88-S90 WeakPolarHBondContact CB-OG 3.28Å; L88-S90 PolarHBondContact O-N 3.11Å; S90-V92 VanDerWaalsContact C-N 3.27Å
91	D	88.6	Confident	87.9	Confident	88 Å²	88	60.6 Å²	60.6	47%	0.471	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-84.4	-8.4	-175.8	-53.7	-19.7	0	0	0	111.6	L88 V89	L88-D91 WeakPolarHBondContact CB-OD2 3.43Å; L88-D91 PolarHBondContact N-OD2 3.42Å; L88-D91 PolarHBondContact O-N 3.43Å; L88-D91 VanDerWaalsContact O-N 3.13Å; V89-D91 PolarHBondContact O-N 3.08Å
92	V	86.8	Confident	87.8	Confident	23 Å²	23	60 Å²	60	14%	0.139	32%	0.322	C	S	.	.	S	Bend	trans	-112.1	121.3	-173.5	-175.9	0	0	0	0	109.9	Y38 V89 S90 S94 L105	Y38-V92 HydrophobicContact CD2-CG2 4.06Å; Y38-V92 HydrophobicContact CE2-CB 4.11Å; Y38-V92 HydrophobicContact CE2-CG1 4.48Å; Y38-V92 HydrophobicContact CE2-CG2 3.88Å; V89-V92 PolarHBondContact O-N 3.35Å; S90-V92 VanDerWaalsContact C-N 3.27Å; V92-S94 PolarHBondContact O-N 3.14Å; V92-L105 HydrophobicContact CB-CD2 4.47Å; V92-L105 HydrophobicContact CG1-CD2 4.13Å; V92-L105 HydrophobicContact CG2-CD2 3.57Å
93	Q	81	Confident	87.2	Confident	189 Å²	189	62.6 Å²	62.6	88%	0.883	34%	0.342	S	S	*	.			trans	-81.6	93.9	173.6	-64.4	-179.2	5.3	0	0	109.9
94	S	79.4	Confident	86.6	Confident	47 Å²	47	65.3 Å²	65.3	33%	0.329	36%	0.355	S	S	.	.			trans	-131.9	142.8	177.9	177	0	0	0	0	112.4	V92 D96 V100	V92-S94 PolarHBondContact O-N 3.14Å; S94-D96 PolarHBondContact OG-N 3.29Å; S94-D96 PolarHBondContact OG-O 2.91Å; S94-D96 VanDerWaalsContact OG-O 3.11Å; S94-V100 WeakPolarHBondContact OG-CG2 3.5Å
95	T	73	Confident	85.9	Confident	156 Å²	156	65.7 Å²	65.7	96%	0.957	36%	0.357	S	S	*	.	S	Bend	trans	-79.3	-22.2	173.8	53.4	0	0	0	0	113.2
96	D	83.3	Confident	85.3	Confident	58 Å²	58	66.2 Å²	66.2	31%	0.31	36%	0.359	S	S	.	.			trans	-138.6	98.3	174.1	-175.6	-6.7	0	0	0	109.8	S94 K98 K99	S94-D96 PolarHBondContact OG-N 3.29Å; S94-D96 PolarHBondContact OG-O 2.91Å; S94-D96 VanDerWaalsContact OG-O 3.11Å; D96-K98 PolarHBondContact O-N 3.41Å; D96-K98 PolarHBondContact OD1-N 3.35Å; D96-K98 VanDerWaalsContact OD1-N 3.07Å; D96-K99 PolarHBondContact O-N 3.44Å; D96-K99 VanDerWaalsContact OD2-CD 3.31Å; D96-K99 WeakPolarHBondContact OD2-CD 3.25Å; D96-K99 WeakPolarHBondContact OD2-CG 3.47Å
97	P	80.1	Confident	84	Confident	53 Å²	53	73 Å²	73	34%	0.344	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-59.1	-22.5	-177.3	-24.8	33.3	0	0	0	114	Y38 V89 I121	Y38-P97 VanDerWaalsContact CE1-O 3.31Å; Y38-P97 WeakPolarHBondContact CE1-O 3.23Å; Y38-P97 WeakPolarHBondContact OH-CA 3.14Å; Y38-P97 WeakPolarHBondContact OH-CB 3.16Å; Y38-P97 PolarHBondContact OH-O 3.4Å; V89-P97 HydrophobicContact CG1-CB 4.2Å; P97-I121 HydrophobicContact CB-CD1 4.06Å
98	K	80.3	Confident	82.6	Confident	188 Å²	188	76.4 Å²	76.4	82%	0.817	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-84.4	-12.9	-176.1	-66.9	-177	179	178.4	0	113.8	D96	D96-K98 PolarHBondContact O-N 3.41Å; D96-K98 PolarHBondContact OD1-N 3.35Å; D96-K98 VanDerWaalsContact OD1-N 3.07Å
99	K	81.4	Confident	80.8	Confident	169 Å²	169	85.1 Å²	85.1	74%	0.735	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-112	19.3	-177.8	-68.3	-174.7	-175.8	173.2	0	113.5	D96	D96-K99 PolarHBondContact O-N 3.44Å; D96-K99 VanDerWaalsContact OD2-CD 3.31Å; D96-K99 WeakPolarHBondContact OD2-CD 3.25Å; D96-K99 WeakPolarHBondContact OD2-CG 3.47Å
100	V	83.9	Confident	79.2	Confident	14 Å²	14	89.9 Å²	89.9	9%	0.085	49%	0.485	C	S	.	.			trans	-75.5	131.9	-179.9	170.9	0	0	0	0	110.3	Y38 S94 H104 L105 P119	Y38-V100 HydrophobicContact CE1-CB 4.05Å; Y38-V100 HydrophobicContact CE1-CG1 4.4Å; Y38-V100 HydrophobicContact CE1-CG2 4.5Å; Y38-V100 VanDerWaalsContact OH-CG2 3.32Å; Y38-V100 WeakPolarHBondContact OH-CG2 3.49Å; S94-V100 WeakPolarHBondContact OG-CG2 3.5Å; V100-H104 HydrophobicContact CG1-CB 4.26Å; V100-L105 HydrophobicContact CG1-CD1 4.17Å; V100-L105 HydrophobicContact CG1-CD2 3.39Å; V100-L105 HydrophobicContact CG1-CG 3.53Å; V100-P119 WeakPolarHBondContact O-CG 3.33Å
101	T	86.6	Confident	78.3	Confident	72 Å²	72	86.4 Å²	86.4	44%	0.442	46%	0.458	S	S	.	.			trans	-95.7	160.7	178.3	61.1	0	0	0	0	111.7	S103 H104 L105	T101-S103 PolarHBondContact O-N 2.78Å; T101-S103 PolarHBondContact OG1-OG 2.59Å; T101-H104 WeakPolarHBondContact O-CB 3.49Å; T101-H104 PolarHBondContact O-N 2.89Å; T101-H104 VanDerWaalsContact O-N 3.11Å; T101-H104 PolarHBondContact OG1-N 3.35Å; T101-L105 PolarHBondContact O-N 3.2Å; T101-L105 VanDerWaalsContact O-N 3.08Å
102	L	84.8	Confident	77.8	Confident	21 Å²	21	85.6 Å²	85.6	11%	0.11	45%	0.453	C	S	.	.	H	α-helix	trans	-55.7	-40.4	172.8	-75.4	-172.9	0	0	0	112.5	A40 H104 L105 L106 L116 G117 P119	A40-L102 HydrophobicContact CB-CD2 4.16Å; L102-H104 VanDerWaalsContact C-N 3.26Å; L102-H104 PolarHBondContact O-N 2.72Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-L105 VanDerWaalsContact O-N 3.13Å; L102-L106 HydrophobicContact CB-CD1 4.25Å; L102-L106 HydrophobicContact CD2-CD1 4.14Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 PolarHBondContact O-N 3.31Å; L102-L116 HydrophobicContact CD1-CB 3.69Å; L102-G117 WeakPolarHBondContact CD1-O 3.35Å; L102-P119 HydrophobicContact CD2-CB 4.11Å; L102-P119 HydrophobicContact CD2-CG 4.19Å
103	S	83.2	Confident	77.4	Confident	83 Å²	83	87 Å²	87	58%	0.58	47%	0.465	S	S	*	.	H	α-helix	trans	-60.5	-37.3	178.6	50.2	0	0	0	0	112.2	T101 H107	T101-S103 PolarHBondContact O-N 2.78Å; T101-S103 PolarHBondContact OG1-OG 2.59Å; S103-H107 PolarHBondContact O-CD2 3.33Å; S103-H107 PolarHBondContact O-N 3.42Å
104	H	83.1	Confident	77.5	Confident	69 Å²	69	83.3 Å²	83.3	32%	0.319	45%	0.451	S	S	.	.	H	α-helix	trans	-69.6	-39.4	174.7	-174.5	69.3	0	0	0	111.8	V100 T101 L102 H107	V100-H104 HydrophobicContact CG1-CB 4.26Å; T101-H104 WeakPolarHBondContact O-CB 3.49Å; T101-H104 PolarHBondContact O-N 2.89Å; T101-H104 VanDerWaalsContact O-N 3.11Å; T101-H104 PolarHBondContact OG1-N 3.35Å; L102-H104 VanDerWaalsContact C-N 3.26Å; L102-H104 PolarHBondContact O-N 2.72Å; H104-H107 PolarHBondContact O-CD2 3.18Å
105	L	82.8	Confident	77.8	Confident	7 Å²	7	81.8 Å²	81.8	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-69.4	-34.3	177.4	-64.1	178.3	0	0	0	112.7	Y38 H59 V86 V92 V100 T101 L102 P119	Y38-L105 HydrophobicContact CD1-CD1 4.35Å; Y38-L105 HydrophobicContact CD2-CD1 4.44Å; Y38-L105 HydrophobicContact CD2-CD2 3.67Å; Y38-L105 HydrophobicContact CE2-CD2 3.96Å; Y38-L105 HydrophobicContact CG-CD1 4Å; Y38-L105 HydrophobicContact CG-CD2 4.08Å; H59-L105 PolarHBondContact NE2-O 2.96Å; V86-L105 HydrophobicContact CG1-CB 4.29Å; V86-L105 HydrophobicContact CG1-CD1 4.25Å; V92-L105 HydrophobicContact CB-CD2 4.47Å; V92-L105 HydrophobicContact CG1-CD2 4.13Å; V92-L105 HydrophobicContact CG2-CD2 3.57Å; V100-L105 HydrophobicContact CG1-CD1 4.17Å; V100-L105 HydrophobicContact CG1-CD2 3.39Å; V100-L105 HydrophobicContact CG1-CG 3.53Å; T101-L105 PolarHBondContact O-N 3.2Å; T101-L105 VanDerWaalsContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-L105 VanDerWaalsContact O-N 3.13Å; L105-P119 HydrophobicContact CD1-CB 3.66Å; L105-P119 HydrophobicContact CD1-CG 3.92Å
106	L	83.2	Confident	78.6	Confident	11 Å²	11	75 Å²	75	6%	0.058	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	31.8	-165	-61.7	160.6	0	0	0	112.4	L55 V86 L102 T108 F111 L116	L55-L106 HydrophobicContact CD2-CD2 3.62Å; V86-L106 HydrophobicContact CG1-CD2 4.11Å; L102-L106 HydrophobicContact CB-CD1 4.25Å; L102-L106 HydrophobicContact CD2-CD1 4.14Å; L102-L106 VanDerWaalsContact O-CB 3.3Å; L102-L106 WeakPolarHBondContact O-CB 3.45Å; L102-L106 PolarHBondContact O-N 3.31Å; L106-T108 PolarHBondContact O-N 3.09Å; L106-T108 PolarHBondContact O-OG1 3.1Å; L106-F111 HydrophobicContact CB-CD1 3.96Å; L106-F111 HydrophobicContact CB-CG 4.36Å; L106-F111 HydrophobicContact CD1-CD1 3.63Å; L106-F111 HydrophobicContact CD1-CE1 3.37Å; L106-F111 HydrophobicContact CD1-CZ 4.16Å; L106-F111 HydrophobicContact CD2-CD1 4.06Å; L106-F111 HydrophobicContact CD2-CD2 4.47Å; L106-F111 HydrophobicContact CD2-CE1 4Å; L106-F111 HydrophobicContact CD2-CE2 4.38Å; L106-F111 HydrophobicContact CD2-CG 4.28Å; L106-F111 HydrophobicContact CD2-CZ 4.15Å; L106-F111 HydrophobicContact CG-CD1 4.08Å; L106-F111 HydrophobicContact CG-CE1 4.15Å; L106-L116 HydrophobicContact CD1-CD1 4.23Å
107	H	68.8	Low	79	Confident	144 Å²	144	72.8 Å²	72.8	67%	0.667	39%	0.391	S	S	*	.			trans	-50.8	-4.2	-169.8	-113	-67.2	0	0	0	117.7	S103 H104	S103-H107 PolarHBondContact O-CD2 3.33Å; S103-H107 PolarHBondContact O-N 3.42Å; H104-H107 PolarHBondContact O-CD2 3.18Å
108	T	64.3	Low	79.5	Confident	71 Å²	71	76.8 Å²	76.8	44%	0.436	41%	0.41	S	S	.	.	S	Bend	trans	-69.9	128.5	172.8	33.3	0	0	0	0	113	L106 C110 F111	L106-T108 PolarHBondContact O-N 3.09Å; L106-T108 PolarHBondContact O-OG1 3.1Å; T108-C110 PolarHBondContact O-N 3.42Å; T108-F111 PolarHBondContact O-N 3.3Å
109	Q	56.2	Low	80.2	Confident	204 Å²	204	69 Å²	69	95%	0.953	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-9	-178.7	-67.5	-176.6	-8	0	0	115.5
110	C	60.5	Low	80.7	Confident	124 Å²	124	64.1 Å²	64.1	84%	0.838	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	0.4	-175.2	-58.2	0	0	0	0	114.4	T108	T108-C110 PolarHBondContact O-N 3.42Å
111	F	73.3	Confident	81.3	Confident	24 Å²	24	66.5 Å²	66.5	11%	0.105	37%	0.369	C	S	.	.			trans	-87.3	120.7	-179.8	-170.3	-97.4	0	0	0	111.2	L51 E54 L55 I58 L106 T108 S113 L116	L51-F111 HydrophobicContact CD2-CZ 3.98Å; E54-F111 HydrophobicContact CB-CD2 3.84Å; E54-F111 HydrophobicContact CB-CE2 3.53Å; E54-F111 WeakPolarHBondContact OE2-CD2 3.27Å; E54-F111 WeakPolarHBondContact OE2-CE2 3.18Å; L55-F111 HydrophobicContact CD2-CE2 3.96Å; L55-F111 HydrophobicContact CD2-CZ 3.83Å; L55-F111 HydrophobicContact CG-CE2 4.1Å; L55-F111 HydrophobicContact CG-CZ 4.08Å; I58-F111 HydrophobicContact CD1-CB 3.75Å; I58-F111 HydrophobicContact CD1-CD2 3.25Å; I58-F111 HydrophobicContact CD1-CE2 4.1Å; I58-F111 HydrophobicContact CD1-CG 3.81Å; L106-F111 HydrophobicContact CB-CD1 3.96Å; L106-F111 HydrophobicContact CB-CG 4.36Å; L106-F111 HydrophobicContact CD1-CD1 3.63Å; L106-F111 HydrophobicContact CD1-CE1 3.37Å; L106-F111 HydrophobicContact CD1-CZ 4.16Å; L106-F111 HydrophobicContact CD2-CD1 4.06Å; L106-F111 HydrophobicContact CD2-CD2 4.47Å; L106-F111 HydrophobicContact CD2-CE1 4Å; L106-F111 HydrophobicContact CD2-CE2 4.38Å; L106-F111 HydrophobicContact CD2-CG 4.28Å; L106-F111 HydrophobicContact CD2-CZ 4.15Å; L106-F111 HydrophobicContact CG-CD1 4.08Å; L106-F111 HydrophobicContact CG-CE1 4.15Å; T108-F111 PolarHBondContact O-N 3.3Å; F111-S113 PolarHBondContact O-N 3.09Å; F111-L116 HydrophobicContact CE1-CD1 3.83Å; F111-L116 HydrophobicContact CZ-CD1 3.85Å
112	N	77.6	Confident	81.8	Confident	70 Å²	70	63.8 Å²	63.8	37%	0.374	35%	0.352	S	S	.	.			trans	-90.9	96.9	174.6	176.1	6.1	0	0	0	109.2	R50 N114	R50-N112 PolarHBondContact NH1-O 3.47Å; R50-N112 VanDerWaalsContact NH1-O 3.08Å; N112-N114 PolarHBondContact O-N 3.31Å; N112-N114 VanDerWaalsContact O-N 3.12Å; N112-N114 WeakPolarHBondContact OD1-CB 3.35Å; N112-N114 PolarHBondContact OD1-N 3.13Å; N112-N114 PolarHBondContact OD1-ND2 3.38Å
113	S	78.9	Confident	82.4	Confident	54 Å²	54	66.7 Å²	66.7	38%	0.378	37%	0.365	S	S	.	.			trans	-68.3	-1.1	179.3	60.6	0	0	0	0	114.7	F111 G115 L116	F111-S113 PolarHBondContact O-N 3.09Å; S113-G115 PolarHBondContact O-N 3.22Å; S113-L116 PolarHBondContact O-N 3.09Å
114	N	83.1	Confident	83	Confident	111 Å²	111	62.8 Å²	62.8	59%	0.594	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	129.4	174.2	-71.2	-11.4	0	0	0	110.1	R50 N112	R50-N114 PolarHBondContact NH2-O 3.44Å; N112-N114 PolarHBondContact O-N 3.31Å; N112-N114 VanDerWaalsContact O-N 3.12Å; N112-N114 WeakPolarHBondContact OD1-CB 3.35Å; N112-N114 PolarHBondContact OD1-N 3.13Å; N112-N114 PolarHBondContact OD1-ND2 3.38Å
115	G	85.3	Confident	83.7	Confident	14 Å²	14	59.5 Å²	59.5	14%	0.144	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	-2.5	-177.9	0	0	0	0	0	114.8	I42 L43 S113	I42-G115 CarbonylContact C-O 3.59Å; I42-G115 WeakPolarHBondContact CA-O 3.33Å; L43-G115 PolarHBondContact N-O 3.21Å; S113-G115 PolarHBondContact O-N 3.22Å
116	L	90.8	Very high	84.3	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.068	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-101.9	138.3	167.9	-70.9	177.2	0	0	0	111.6	A40 P41 I42 L51 V84 L102 L106 F111 S113	A40-L116 HydrophobicContact CB-CD2 4.1Å; P41-L116 CarbonylContact O-C 3.48Å; P41-L116 WeakPolarHBondContact O-CA 3.31Å; I42-L116 HydrophobicContact CG1-CD2 4.33Å; L51-L116 HydrophobicContact CD1-CD2 3.86Å; L51-L116 HydrophobicContact CD1-CG 4.03Å; L51-L116 HydrophobicContact CD2-CD1 4.05Å; L51-L116 HydrophobicContact CD2-CD2 4.42Å; L51-L116 HydrophobicContact CD2-CG 3.85Å; V84-L116 HydrophobicContact CG1-CD2 3.61Å; L102-L116 HydrophobicContact CD1-CB 3.69Å; L106-L116 HydrophobicContact CD1-CD1 4.23Å; F111-L116 HydrophobicContact CE1-CD1 3.83Å; F111-L116 HydrophobicContact CZ-CD1 3.85Å; S113-L116 PolarHBondContact O-N 3.09Å
117	G	91.1	Very high	84.8	Confident	12 Å²	12	63.5 Å²	63.5	12%	0.124	35%	0.345	C	S	.	.			trans	-91.8	-178.2	170.1	0	0	0	0	0	112.8	P41 L102	P41-G117 PolarHBondContact O-N 3.12Å; L102-G117 WeakPolarHBondContact CD1-O 3.35Å
118	D	91.1	Very high	86	Confident	138 Å²	138	59.8 Å²	59.8	74%	0.738	33%	0.334	S	S	*	.			trans	-59	138.6	-179.4	-66.9	-37.3	0	0	0	112.5	P41	P41-D118 WeakPolarHBondContact CD-O 3.21Å
119	P	93.6	Very high	87.4	Confident	25 Å²	25	57 Å²	57	16%	0.162	32%	0.317	C	S	.	.			trans	-76.6	151.4	-176	34.1	-35	0	0	0	111.1	A39 V100 L102 L105	A39-P119 CarbonylContact O-C 3.54Å; A39-P119 VanDerWaalsContact O-CA 3.23Å; A39-P119 WeakPolarHBondContact O-CA 3.37Å; V100-P119 WeakPolarHBondContact O-CG 3.33Å; L102-P119 HydrophobicContact CD2-CB 4.11Å; L102-P119 HydrophobicContact CD2-CG 4.19Å; L105-P119 HydrophobicContact CD1-CB 3.66Å; L105-P119 HydrophobicContact CD1-CG 3.92Å
120	F	93.9	Very high	89.1	Confident	66 Å²	66	50.4 Å²	50.4	29%	0.289	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.8	176.3	61.8	-83.8	0	0	0	110.4	A39 P41 E83 V122	A39-F120 HydrophobicContact CB-CE1 4.22Å; A39-F120 HydrophobicContact CB-CE2 4.05Å; A39-F120 HydrophobicContact CB-CZ 3.86Å; A39-F120 PolarHBondContact N-O 3.48Å; A39-F120 WeakPolarHBondContact O-CD1 3.37Å; A39-F120 PolarHBondContact O-N 3.14Å; P41-F120 HydrophobicContact CG-CE1 4.17Å; E83-F120 HydrophobicContact CB-CZ 4.46Å; E83-F120 HydrophobicContact CG-CZ 4.06Å; F120-V122 HydrophobicContact CD2-CG1 3.67Å; F120-V122 HydrophobicContact CE2-CG1 3.3Å; F120-V122 HydrophobicContact CZ-CG1 4.35Å
121	I	95.6	Very high	90.6	Very high	64 Å²	64	44.8 Å²	44.8	33%	0.328	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.9	-178.4	-62.1	174	0	0	0	110.1	P36 A37 Y38 V89 P97	P36-I121 HydrophobicContact CB-CG2 4.1Å; A37-I121 WeakPolarHBondContact O-CA 3.05Å; Y38-I121 HydrophobicContact CD1-CG1 4Å; Y38-I121 HydrophobicContact CE1-CD1 4.16Å; Y38-I121 HydrophobicContact CE1-CG1 3.72Å; V89-I121 HydrophobicContact CG2-CD1 4.47Å; V89-I121 HydrophobicContact CG2-CG1 4.34Å; V89-I121 HydrophobicContact CG2-CG2 4.45Å; P97-I121 HydrophobicContact CB-CD1 4.06Å
122	V	96.1	Very high	91.5	Very high	15 Å²	15	48 Å²	48	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.6	171.3	-66.5	0	0	0	0	110.6	P36 A37 A39 F120 I124 W142	P36-V122 WeakPolarHBondContact CA-O 3.31Å; A37-V122 HydrophobicContact CB-CG2 4.35Å; A37-V122 PolarHBondContact N-O 3.22Å; A37-V122 WeakPolarHBondContact O-CG2 3.36Å; A37-V122 PolarHBondContact O-N 2.91Å; A39-V122 HydrophobicContact CB-CG1 4.12Å; A39-V122 HydrophobicContact CB-CG2 3.8Å; F120-V122 HydrophobicContact CD2-CG1 3.67Å; F120-V122 HydrophobicContact CE2-CG1 3.3Å; F120-V122 HydrophobicContact CZ-CG1 4.35Å; V122-I124 HydrophobicContact CG2-CG2 3.95Å; V122-W142 HydrophobicContact CB-CE3 4.31Å; V122-W142 HydrophobicContact CB-CZ3 4.3Å; V122-W142 HydrophobicContact CG1-CZ3 4.14Å; V122-W142 HydrophobicContact CG2-CE3 3.9Å; V122-W142 HydrophobicContact CG2-CZ3 3.8Å
123	Q	97.4	Very high	92.2	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.8	169	-63.8	-61.2	-29.3	0	0	109	L34 L35	L34-Q123 HydrophobicContact CB-CB 4.28Å; L34-Q123 HydrophobicContact CD1-CB 4.14Å; L35-Q123 PolarHBondContact O-OE1 3.08Å
124	I	96.9	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.6	178.3	67.7	172.6	0	0	0	110.7	L34 L35 A37 L64 I85 L88 V122 A126 W142	L34-I124 CarbonylContact C-O 3.58Å; L34-I124 VanDerWaalsContact CA-O 3.31Å; L34-I124 WeakPolarHBondContact CA-O 3.41Å; L35-I124 HydrophobicContact CB-CG1 4.5Å; L35-I124 PolarHBondContact N-O 3.15Å; L35-I124 PolarHBondContact O-N 3.23Å; A37-I124 HydrophobicContact CB-CD1 3.78Å; A37-I124 HydrophobicContact CB-CG1 4.12Å; A37-I124 HydrophobicContact CB-CG2 4.29Å; L64-I124 HydrophobicContact CD1-CD1 4.16Å; I85-I124 HydrophobicContact CD1-CD1 4.15Å; I85-I124 HydrophobicContact CD1-CG2 4Å; L88-I124 HydrophobicContact CD2-CD1 4.02Å; V122-I124 HydrophobicContact CG2-CG2 3.95Å; I124-A126 PolarHBondContact O-N 3.46Å; I124-W142 HydrophobicContact CB-CB 4.22Å; I124-W142 HydrophobicContact CG2-CB 3.83Å; I124-W142 HydrophobicContact CG2-CD2 4.06Å; I124-W142 HydrophobicContact CG2-CE3 4.06Å; I124-W142 HydrophobicContact CG2-CG 3.93Å
125	P	96.9	Very high	93.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	124	176.7	-22.2	31.8	0	0	0	112.8	E33 H66 I67 A138	E33-P125 WeakPolarHBondContact O-CA 3.47Å; H66-P125 PolarHBondContact NE2-O 3.34Å; I67-P125 HydrophobicContact CD1-CB 4.11Å; I67-P125 HydrophobicContact CD1-CG 4.12Å; P125-A138 HydrophobicContact CB-CB 4.04Å; P125-A138 HydrophobicContact CG-CB 3.62Å
126	A	95.5	Very high	93.9	Very high	10 Å²	10	47.6 Å²	47.6	8%	0.083	25%	0.248	C	C	.	.	S	Bend	trans	-66.3	-43	179.2	0	0	0	0	0	111.9	E33 L35 L64 I124	E33-A126 HydrophobicContact CB-CB 3.93Å; E33-A126 HydrophobicContact CG-CB 3.95Å; E33-A126 WeakPolarHBondContact O-CB 3.1Å; E33-A126 PolarHBondContact O-N 2.94Å; L35-A126 HydrophobicContact CD1-CB 3.71Å; L35-A126 HydrophobicContact CD2-CB 4.43Å; L35-A126 HydrophobicContact CG-CB 3.64Å; L64-A126 VanDerWaalsContact CD2-O 3.24Å; L64-A126 WeakPolarHBondContact CD2-O 3.45Å; I124-A126 PolarHBondContact O-N 3.46Å
127	N	94.1	Very high	94.1	Very high	92 Å²	92	51.2 Å²	51.2	49%	0.492	26%	0.264	S	S	.	.	S	Bend	trans	-117.7	151	-173	-63.1	-59.4	0	0	0	110.9	E33 H66	E33-N127 PolarHBondContact OE2-ND2 3.11Å; H66-N127 VanDerWaalsContact NE2-C 3.33Å; H66-N127 PolarHBondContact NE2-O 3.1Å
128	P	93.8	Very high	94.3	Very high	67 Å²	67	50.6 Å²	50.6	44%	0.435	26%	0.258	S	S	.	.			trans	-63	135.1	173.4	26.2	-33.8	0	0	0	110.3	H66 L130	H66-P128 HydrophobicContact CB-CB 3.95Å; P128-L130 PolarHBondContact O-N 3.03Å
129	P	93.8	Very high	94.5	Very high	12 Å²	12	46 Å²	46	8%	0.078	24%	0.236	C	C	.	.			trans	-66.2	133	176.2	27.1	-32.7	0	0	0	110.2	Q134 F135 T144 F146	P129-Q134 HydrophobicContact CB-CB 3.94Å; P129-F135 HydrophobicContact CB-CB 3.85Å; P129-F135 HydrophobicContact CG-CB 3.96Å; P129-F135 HydrophobicContact CG-CD2 4.03Å; P129-T144 HydrophobicContact CG-CG2 4.13Å; P129-F146 HydrophobicContact CB-CD2 4.4Å; P129-F146 HydrophobicContact CG-CB 4.19Å; P129-F146 HydrophobicContact CG-CD2 4.14Å; P129-F146 WeakPolarHBondContact O-CD2 3.42Å
130	L	92.2	Very high	94.6	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.346	26%	0.261	S	S	.	.			trans	-98.3	-21.9	179.2	-58.7	-177.8	0	0	0	112.3	E27 Q28 P128	E27-L130 HydrophobicContact CB-CD1 3.75Å; Q28-L130 HydrophobicContact CG-CB 3.94Å; Q28-L130 HydrophobicContact CG-CD1 3.82Å; P128-L130 PolarHBondContact O-N 3.03Å
131	T	92.6	Very high	94.6	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.037	26%	0.263	C	S	.	.	S	Bend	trans	-124	156.5	178.7	69.1	0	0	0	0	111.7	L24 Q28 Q134 F135 V152 L156	L24-T131 HydrophobicContact CD1-CG2 4.28Å; Q28-T131 HydrophobicContact CB-CG2 3.99Å; Q28-T131 HydrophobicContact CG-CG2 4.43Å; Q28-T131 VanDerWaalsContact O-CG2 3.23Å; Q28-T131 WeakPolarHBondContact O-CG2 3.27Å; Q28-T131 PolarHBondContact O-OG1 3.34Å; T131-Q134 VanDerWaalsContact N-OE1 3.14Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 3.15Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.45Å; T131-Q134 PolarHBondContact OG1-N 2.96Å; T131-Q134 PolarHBondContact OG1-OE1 2.84Å; T131-F135 PolarHBondContact O-N 3.17Å; T131-V152 HydrophobicContact CG2-CG1 3.97Å; T131-L156 HydrophobicContact CG2-CD1 4.29Å
132	R	91.5	Very high	94.7	Very high	92 Å²	92	49.6 Å²	49.6	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-43.2	176.8	-179.6	172.3	-69.6	-103.2	0.9	113	Q134 F135 E136 F146 E148	R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 2.8Å; R132-F135 WeakPolarHBondContact O-CB 3.44Å; R132-F135 PolarHBondContact O-N 2.89Å; R132-E136 HydrophobicContact CG-CG 4.41Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CG 3.49Å; R132-E136 PolarHBondContact O-N 3.36Å; R132-F146 HydrophobicContact CB-CE1 4.08Å; R132-F146 HydrophobicContact CB-CZ 4.22Å; R132-E148 IonicContact CZ-OE1 3.81Å; R132-E148 IonicContact CZ-OE2 2.89Å; R132-E148 IonicContact NE-OE1 2.84Å; R132-E148 PolarHBondContact NE-OE1 3Å; R132-E148 IonicContact NH2-OE1 3.58Å; R132-E148 PolarHBondContact NH2-OE1 2.64Å; R132-E148 IonicContact NH2-OE2 3.85Å; R132-E148 PolarHBondContact NH2-OE2 3.41Å
133	P	91.7	Very high	94.6	Very high	63 Å²	63	50.7 Å²	50.7	41%	0.409	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-41	173.4	-26.5	36.2	0	0	0	113.4	E136 K137	P133-E136 PolarHBondContact O-N 2.79Å; P133-K137 WeakPolarHBondContact O-CG 3.35Å; P133-K137 PolarHBondContact O-N 3.18Å; P133-K137 VanDerWaalsContact O-N 3.1Å
134	Q	94.4	Very high	94.5	Very high	16 Å²	16	47 Å²	47	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-44.5	174.1	-76.1	177.2	-33	0	0	111.4	E27 Q28 Q30 P32 P129 T131 R132 E136 K137 A138	E27-Q134 PolarHBondContact O-NE2 3.13Å; Q28-Q134 PolarHBondContact O-NE2 3.44Å; Q30-Q134 PolarHBondContact O-NE2 3.45Å; P32-Q134 HydrophobicContact CG-CB 4.32Å; P32-Q134 WeakPolarHBondContact CG-O 3.21Å; P129-Q134 HydrophobicContact CB-CB 3.94Å; T131-Q134 VanDerWaalsContact N-OE1 3.14Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 3.15Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.45Å; T131-Q134 PolarHBondContact OG1-N 2.96Å; T131-Q134 PolarHBondContact OG1-OE1 2.84Å; R132-Q134 VanDerWaalsContact C-N 3.34Å; R132-Q134 PolarHBondContact O-N 2.8Å; Q134-E136 VanDerWaalsContact C-N 3.35Å; Q134-E136 PolarHBondContact O-N 3.44Å; Q134-K137 PolarHBondContact O-N 2.7Å; Q134-A138 WeakPolarHBondContact O-CB 3.13Å; Q134-A138 PolarHBondContact O-N 3.06Å
135	F	94.6	Very high	94.4	Very high	55 Å²	55	49 Å²	49	24%	0.241	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-44.6	177.8	167.8	-109.7	0	0	0	112.3	P129 T131 R132 K137 A138 S139 T144 F146	P129-F135 HydrophobicContact CB-CB 3.85Å; P129-F135 HydrophobicContact CG-CB 3.96Å; P129-F135 HydrophobicContact CG-CD2 4.03Å; T131-F135 PolarHBondContact O-N 3.17Å; R132-F135 WeakPolarHBondContact O-CB 3.44Å; R132-F135 PolarHBondContact O-N 2.89Å; F135-K137 VanDerWaalsContact C-N 3.32Å; F135-K137 PolarHBondContact O-N 3.45Å; F135-A138 PolarHBondContact O-N 3.25Å; F135-S139 WeakPolarHBondContact CD2-OG 3.38Å; F135-S139 WeakPolarHBondContact CE2-OG 3.4Å; F135-S139 WeakPolarHBondContact CZ-OG 3.23Å; F135-S139 VanDerWaalsContact O-CB 3.23Å; F135-S139 WeakPolarHBondContact O-CB 3.31Å; F135-S139 PolarHBondContact O-N 2.79Å; F135-S139 PolarHBondContact O-OG 3.33Å; F135-T144 HydrophobicContact CD2-CG2 3.7Å; F135-T144 HydrophobicContact CE2-CG2 3.84Å; F135-T144 WeakPolarHBondContact CE2-O 3.43Å; F135-F146 HydrophobicContact CB-CB 4.02Å; F135-F146 HydrophobicContact CB-CD1 3.79Å; F135-F146 HydrophobicContact CB-CD2 4.06Å; F135-F146 HydrophobicContact CB-CE1 4.24Å; F135-F146 HydrophobicContact CB-CE2 4.49Å; F135-F146 HydrophobicContact CB-CG 3.69Å; F135-F146 HydrophobicContact CD1-CB 4.26Å; F135-F146 AromaticContact CD1-CD1 3.76Å; F135-F146 HydrophobicContact CD1-CD1 3.76Å; F135-F146 HydrophobicContact CD1-CE1 4.48Å; F135-F146 HydrophobicContact CD1-CG 4.24Å; F135-F146 HydrophobicContact CD2-CB 3.17Å; F135-F146 HydrophobicContact CD2-CD1 4.18Å; F135-F146 AromaticContact CD2-CG 3.83Å; F135-F146 HydrophobicContact CD2-CG 3.83Å; F135-F146 HydrophobicContact CE1-CD1 4.39Å; F135-F146 HydrophobicContact CE2-CB 3.56Å; F135-F146 HydrophobicContact CG-CB 3.54Å; F135-F146 AromaticContact CG-CD1 3.62Å; F135-F146 HydrophobicContact CG-CD1 3.62Å; F135-F146 HydrophobicContact CG-CD2 4.47Å; F135-F146 HydrophobicContact CG-CE1 4.45Å; F135-F146 AromaticContact CG-CG 3.64Å; F135-F146 HydrophobicContact CG-CG 3.64Å; F135-F146 HydrophobicContact CZ-CB 4.26Å
136	E	94.2	Very high	94.2	Very high	105 Å²	105	50.9 Å²	50.9	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-37.9	178.1	-73.3	172.3	-173.6	0	0	111.9	R132 P133 Q134 K140	R132-E136 HydrophobicContact CG-CG 4.41Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CG 3.49Å; R132-E136 PolarHBondContact O-N 3.36Å; P133-E136 PolarHBondContact O-N 2.79Å; Q134-E136 VanDerWaalsContact C-N 3.35Å; Q134-E136 PolarHBondContact O-N 3.44Å; E136-K140 WeakPolarHBondContact O-CG 3.36Å
137	K	95.1	Very high	93.8	Very high	89 Å²	89	58.4 Å²	58.4	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-69	-51.6	173.3	-69.8	-179.2	-174.2	-172	0	111.4	D31 P32 P133 Q134 F135 S139 K140 H141	D31-K137 WeakPolarHBondContact OD1-CD 3.36Å; D31-K137 IonicContact OD1-NZ 3.16Å; D31-K137 PolarHBondContact OD1-NZ 3.06Å; D31-K137 IonicContact OD2-NZ 3.49Å; P32-K137 HydrophobicContact CG-CB 4.03Å; P133-K137 WeakPolarHBondContact O-CG 3.35Å; P133-K137 PolarHBondContact O-N 3.18Å; P133-K137 VanDerWaalsContact O-N 3.1Å; Q134-K137 PolarHBondContact O-N 2.7Å; F135-K137 VanDerWaalsContact C-N 3.32Å; F135-K137 PolarHBondContact O-N 3.45Å; K137-S139 VanDerWaalsContact C-N 3.31Å; K137-S139 PolarHBondContact O-N 2.87Å; K137-K140 WeakPolarHBondContact O-CB 3.44Å; K137-K140 PolarHBondContact O-N 3.47Å; K137-K140 VanDerWaalsContact O-N 3.14Å; K137-H141 PolarHBondContact O-CD2 2.92Å
138	A	95.3	Very high	93.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-43	-178.9	0	0	0	0	0	112.2	P32 P125 Q134 F135 K140 H141 W142 T144	P32-A138 HydrophobicContact CB-CB 4.14Å; P32-A138 HydrophobicContact CG-CB 3.98Å; P125-A138 HydrophobicContact CB-CB 4.04Å; P125-A138 HydrophobicContact CG-CB 3.62Å; Q134-A138 WeakPolarHBondContact O-CB 3.13Å; Q134-A138 PolarHBondContact O-N 3.06Å; F135-A138 PolarHBondContact O-N 3.25Å; A138-K140 PolarHBondContact O-N 3.41Å; A138-K140 VanDerWaalsContact O-N 3.16Å; A138-H141 WeakPolarHBondContact O-CB 3.44Å; A138-H141 PolarHBondContact O-N 3.3Å; A138-W142 PolarHBondContact O-N 3.09Å; A138-T144 HydrophobicContact CB-CG2 4.04Å
139	S	95	Very high	93	Very high	41 Å²	41	57.6 Å²	57.6	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-19.8	-178.8	-63.8	0	0	0	0	114	F135 K137 H141	F135-S139 WeakPolarHBondContact CD2-OG 3.38Å; F135-S139 WeakPolarHBondContact CE2-OG 3.4Å; F135-S139 WeakPolarHBondContact CZ-OG 3.23Å; F135-S139 VanDerWaalsContact O-CB 3.23Å; F135-S139 WeakPolarHBondContact O-CB 3.31Å; F135-S139 PolarHBondContact O-N 2.79Å; F135-S139 PolarHBondContact O-OG 3.33Å; K137-S139 VanDerWaalsContact C-N 3.31Å; K137-S139 PolarHBondContact O-N 2.87Å; S139-H141 VanDerWaalsContact C-N 3.29Å
140	K	95	Very high	92.5	Very high	156 Å²	156	64 Å²	64	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-69.9	-29.2	173.4	-65.4	171.1	-175.1	179.6	0	112.1	E136 K137 A138	E136-K140 WeakPolarHBondContact O-CG 3.36Å; K137-K140 WeakPolarHBondContact O-CB 3.44Å; K137-K140 PolarHBondContact O-N 3.47Å; K137-K140 VanDerWaalsContact O-N 3.14Å; A138-K140 PolarHBondContact O-N 3.41Å; A138-K140 VanDerWaalsContact O-N 3.16Å
141	H	95.4	Very high	92	Very high	74 Å²	74	66.4 Å²	66.4	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-81.9	-55.1	179.8	-66.8	-79	0	0	0	110.7	L34 R71 K137 A138 S139	L34-H141 WeakPolarHBondContact CD1-CE1 3.31Å; L34-H141 HydrophobicContact CD2-CB 4.1Å; R71-H141 PolarHBondContact NH1-O 2.7Å; R71-H141 VanDerWaalsContact NH1-O 3.09Å; K137-H141 PolarHBondContact O-CD2 2.92Å; A138-H141 WeakPolarHBondContact O-CB 3.44Å; A138-H141 PolarHBondContact O-N 3.3Å; S139-H141 VanDerWaalsContact C-N 3.29Å
142	W	96.2	Very high	91.5	Very high	1 Å²	1	67 Å²	67	0%	0.004	33%	0.326	C	S	.	.	S	Bend	trans	-154.2	145.9	177.5	-163.6	-83.8	0	0	0	111.1	A39 I67 K68 R71 E83 I85 V122 I124 A138 T144	A39-W142 HydrophobicContact CB-CH2 4.1Å; A39-W142 HydrophobicContact CB-CZ3 4.07Å; I67-W142 HydrophobicContact CG2-CG 4.44Å; K68-W142 PolarHBondContact O-NE1 2.9Å; R71-W142 HydrophobicContact CB-CZ2 4.06Å; R71-W142 HydrophobicContact CG-CH2 3.63Å; R71-W142 HydrophobicContact CG-CZ2 3.6Å; R71-W142 HydrophobicContact CG-CZ3 4.17Å; R71-W142 VanDerWaalsContact NE-CZ3 3.26Å; R71-W142 VanDerWaalsContact NH1-CZ3 3.33Å; E83-W142 HydrophobicContact CB-CH2 4.21Å; I85-W142 HydrophobicContact CD1-CD2 3.89Å; I85-W142 HydrophobicContact CD1-CG 4.2Å; I85-W142 HydrophobicContact CD1-CZ2 3.91Å; I85-W142 HydrophobicContact CG1-CD2 4.19Å; I85-W142 HydrophobicContact CG1-CE3 4.43Å; I85-W142 HydrophobicContact CG1-CH2 3.84Å; I85-W142 HydrophobicContact CG1-CZ2 3.52Å; I85-W142 HydrophobicContact CG1-CZ3 4.27Å; V122-W142 HydrophobicContact CB-CE3 4.31Å; V122-W142 HydrophobicContact CB-CZ3 4.3Å; V122-W142 HydrophobicContact CG1-CZ3 4.14Å; V122-W142 HydrophobicContact CG2-CE3 3.9Å; V122-W142 HydrophobicContact CG2-CZ3 3.8Å; I124-W142 HydrophobicContact CB-CB 4.22Å; I124-W142 HydrophobicContact CG2-CB 3.83Å; I124-W142 HydrophobicContact CG2-CD2 4.06Å; I124-W142 HydrophobicContact CG2-CE3 4.06Å; I124-W142 HydrophobicContact CG2-CG 3.93Å; A138-W142 PolarHBondContact O-N 3.09Å; W142-T144 PolarHBondContact O-N 3.47Å
143	P	96	Very high	91.2	Very high	38 Å²	38	63.1 Å²	63.1	25%	0.247	31%	0.313	C	S	.	.			trans	-57.6	122.5	177.8	-26.7	35.7	0	0	0	112.7	K68 R71	K68-P143 HydrophobicContact CB-CB 4.17Å; K68-P143 WeakPolarHBondContact CB-O 3.12Å; K68-P143 HydrophobicContact CD-CB 4.03Å; K68-P143 HydrophobicContact CG-CB 4.4Å; K68-P143 PolarHBondContact N-O 2.87Å; R71-P143 HydrophobicContact CB-CG 3.67Å
144	T	94.5	Very high	90.9	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.031	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-119.8	154.3	178.6	179.6	0	0	0	0	110.2	H66 P129 F135 A138 W142	H66-T144 PolarHBondContact CD2-OG1 3.16Å; H66-T144 CarbonylContact O-C 3.55Å; H66-T144 VanDerWaalsContact O-CA 3.23Å; H66-T144 WeakPolarHBondContact O-CA 3.3Å; H66-T144 PolarHBondContact O-OG1 3Å; P129-T144 HydrophobicContact CG-CG2 4.13Å; F135-T144 HydrophobicContact CD2-CG2 3.7Å; F135-T144 HydrophobicContact CE2-CG2 3.84Å; F135-T144 WeakPolarHBondContact CE2-O 3.43Å; A138-T144 HydrophobicContact CB-CG2 4.04Å; W142-T144 PolarHBondContact O-N 3.47Å
145	S	93.8	Very high	90.3	Very high	41 Å²	41	64.1 Å²	64.1	29%	0.287	31%	0.312	S	S	.	.			trans	-79.2	148.4	163.7	66.6	0	0	0	0	109.4	H66	H66-S145 VanDerWaalsContact CA-OG 3.25Å; H66-S145 WeakPolarHBondContact CA-OG 3.43Å; H66-S145 PolarHBondContact O-N 3.14Å; H66-S145 PolarHBondContact O-OG 2.56Å
146	F	93.2	Very high	89.8	Confident	39 Å²	39	64.7 Å²	64.7	17%	0.171	32%	0.317	C	S	.	.			trans	-144.3	126.4	173.5	169.6	-122.7	0	0	0	108.5	P129 R132 F135 E148	P129-F146 HydrophobicContact CB-CD2 4.4Å; P129-F146 HydrophobicContact CG-CB 4.19Å; P129-F146 HydrophobicContact CG-CD2 4.14Å; P129-F146 WeakPolarHBondContact O-CD2 3.42Å; R132-F146 HydrophobicContact CB-CE1 4.08Å; R132-F146 HydrophobicContact CB-CZ 4.22Å; F135-F146 HydrophobicContact CB-CB 4.02Å; F135-F146 HydrophobicContact CB-CD1 3.79Å; F135-F146 HydrophobicContact CB-CD2 4.06Å; F135-F146 HydrophobicContact CB-CE1 4.24Å; F135-F146 HydrophobicContact CB-CE2 4.49Å; F135-F146 HydrophobicContact CB-CG 3.69Å; F135-F146 HydrophobicContact CD1-CB 4.26Å; F135-F146 AromaticContact CD1-CD1 3.76Å; F135-F146 HydrophobicContact CD1-CD1 3.76Å; F135-F146 HydrophobicContact CD1-CE1 4.48Å; F135-F146 HydrophobicContact CD1-CG 4.24Å; F135-F146 HydrophobicContact CD2-CB 3.17Å; F135-F146 HydrophobicContact CD2-CD1 4.18Å; F135-F146 AromaticContact CD2-CG 3.83Å; F135-F146 HydrophobicContact CD2-CG 3.83Å; F135-F146 HydrophobicContact CE1-CD1 4.39Å; F135-F146 HydrophobicContact CE2-CB 3.56Å; F135-F146 HydrophobicContact CG-CB 3.54Å; F135-F146 AromaticContact CG-CD1 3.62Å; F135-F146 HydrophobicContact CG-CD1 3.62Å; F135-F146 HydrophobicContact CG-CD2 4.47Å; F135-F146 HydrophobicContact CG-CE1 4.45Å; F135-F146 AromaticContact CG-CG 3.64Å; F135-F146 HydrophobicContact CG-CG 3.64Å; F135-F146 HydrophobicContact CZ-CB 4.26Å; F146-E148 HydrophobicContact CD1-CB 4.44Å; F146-E148 HydrophobicContact CE1-CB 3.72Å; F146-E148 HydrophobicContact CE1-CG 4.08Å; F146-E148 HydrophobicContact CZ-CB 3.9Å; F146-E148 HydrophobicContact CZ-CG 4.08Å
147	H	88.1	Confident	89.3	Confident	169 Å²	169	65.4 Å²	65.4	78%	0.782	32%	0.318	S	S	*	.			trans	-105.9	110.2	172.5	-64	93.4	0	0	0	106.7	D149	H147-D149 PolarHBondContact O-N 3.27Å
148	E	84.4	Confident	88.5	Confident	69 Å²	69	61.6 Å²	61.6	32%	0.322	30%	0.304	S	S	.	.			trans	-72.7	123.9	-172.1	-178.4	169.1	-127.1	0	0	111.8	R132 F146 K150 T153	R132-E148 IonicContact CZ-OE1 3.81Å; R132-E148 IonicContact CZ-OE2 2.89Å; R132-E148 IonicContact NE-OE1 2.84Å; R132-E148 PolarHBondContact NE-OE1 3Å; R132-E148 IonicContact NH2-OE1 3.58Å; R132-E148 PolarHBondContact NH2-OE1 2.64Å; R132-E148 IonicContact NH2-OE2 3.85Å; R132-E148 PolarHBondContact NH2-OE2 3.41Å; F146-E148 HydrophobicContact CD1-CB 4.44Å; F146-E148 HydrophobicContact CE1-CB 3.72Å; F146-E148 HydrophobicContact CE1-CG 4.08Å; F146-E148 HydrophobicContact CZ-CB 3.9Å; F146-E148 HydrophobicContact CZ-CG 4.08Å; E148-K150 PolarHBondContact O-N 3.09Å; E148-T153 VanDerWaalsContact CG-OG1 3.27Å; E148-T153 WeakPolarHBondContact CG-OG1 3.45Å; E148-T153 VanDerWaalsContact OE1-CG2 3.3Å; E148-T153 WeakPolarHBondContact OE1-CG2 3.48Å; E148-T153 PolarHBondContact OE1-OG1 3.35Å; E148-T153 VanDerWaalsContact OE1-OG1 3.11Å
149	D	86.4	Confident	88	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	33%	0.33	S	S	.	.			trans	-75.5	107.7	160.2	-171.4	-36.7	0	0	0	108.9	H147 L151 V152 T153	H147-D149 PolarHBondContact O-N 3.27Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.11Å; D149-L151 WeakPolarHBondContact OD1-CA 3.46Å; D149-L151 WeakPolarHBondContact OD1-CB 3.39Å; D149-L151 PolarHBondContact OD1-N 3.13Å; D149-V152 HydrophobicContact CB-CB 4.07Å; D149-V152 HydrophobicContact CB-CG2 4.02Å; D149-V152 PolarHBondContact OD1-N 2.84Å; D149-V152 VanDerWaalsContact OD1-N 3.11Å; D149-T153 WeakPolarHBondContact O-CB 3.22Å; D149-T153 PolarHBondContact O-N 3.24Å; D149-T153 PolarHBondContact O-OG1 3.23Å
150	K	83.3	Confident	87.7	Confident	145 Å²	145	67.5 Å²	67.5	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-37	-179.2	-67.9	-175.8	-179.2	178.4	0	111.7	E148 T153 F154	E148-K150 PolarHBondContact O-N 3.09Å; K150-T153 PolarHBondContact O-N 2.82Å; K150-F154 HydrophobicContact CB-CD2 4.25Å; K150-F154 HydrophobicContact CB-CE2 4.04Å; K150-F154 WeakPolarHBondContact O-CB 3.47Å; K150-F154 WeakPolarHBondContact O-CD2 3.47Å; K150-F154 WeakPolarHBondContact O-CG 3.27Å; K150-F154 PolarHBondContact O-N 2.85Å
151	L	81.1	Confident	87.5	Confident	117 Å²	117	60.9 Å²	60.9	61%	0.613	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-48.2	-178.7	-68.6	173.8	0	0	0	110.4	D149 T153 F154 A155 L160	D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.11Å; D149-L151 WeakPolarHBondContact OD1-CA 3.46Å; D149-L151 WeakPolarHBondContact OD1-CB 3.39Å; D149-L151 PolarHBondContact OD1-N 3.13Å; L151-T153 VanDerWaalsContact C-N 3.25Å; L151-T153 PolarHBondContact O-N 3.3Å; L151-F154 PolarHBondContact O-N 3.29Å; L151-A155 WeakPolarHBondContact O-CB 3.4Å; L151-A155 PolarHBondContact O-N 3.42Å; L151-L160 HydrophobicContact CD2-CD1 4.39Å
152	V	82.8	Confident	87.3	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-39.7	175.6	177	0	0	0	0	110.8	L24 T131 D149 A155 L156	L24-V152 HydrophobicContact CD2-CG1 4.13Å; T131-V152 HydrophobicContact CG2-CG1 3.97Å; D149-V152 HydrophobicContact CB-CB 4.07Å; D149-V152 HydrophobicContact CB-CG2 4.02Å; D149-V152 PolarHBondContact OD1-N 2.84Å; D149-V152 VanDerWaalsContact OD1-N 3.11Å; V152-A155 PolarHBondContact O-N 3.26Å; V152-L156 HydrophobicContact CG1-CD1 4.12Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.45Å; V152-L156 WeakPolarHBondContact O-CG 3.46Å; V152-L156 PolarHBondContact O-N 3.32Å
153	T	85.3	Confident	87.1	Confident	12 Å²	12	65 Å²	65	7%	0.074	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-47	178.2	-59.5	0	0	0	0	112.6	E148 D149 K150 L151 A155 L156 K157	E148-T153 VanDerWaalsContact CG-OG1 3.27Å; E148-T153 WeakPolarHBondContact CG-OG1 3.45Å; E148-T153 VanDerWaalsContact OE1-CG2 3.3Å; E148-T153 WeakPolarHBondContact OE1-CG2 3.48Å; E148-T153 PolarHBondContact OE1-OG1 3.35Å; E148-T153 VanDerWaalsContact OE1-OG1 3.11Å; D149-T153 WeakPolarHBondContact O-CB 3.22Å; D149-T153 PolarHBondContact O-N 3.24Å; D149-T153 PolarHBondContact O-OG1 3.23Å; K150-T153 PolarHBondContact O-N 2.82Å; L151-T153 VanDerWaalsContact C-N 3.25Å; L151-T153 PolarHBondContact O-N 3.3Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 2.87Å; T153-L156 PolarHBondContact O-N 3.06Å; T153-K157 HydrophobicContact CG2-CD 4.47Å; T153-K157 WeakPolarHBondContact O-CG 3.38Å; T153-K157 PolarHBondContact O-N 2.82Å; T153-K157 VanDerWaalsContact O-N 3.15Å
154	F	85	Confident	87	Confident	95 Å²	95	68.2 Å²	68.2	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-39.3	175.6	-74	-56.2	0	0	0	111.3	K150 L151 K157 G158 Q159	K150-F154 HydrophobicContact CB-CD2 4.25Å; K150-F154 HydrophobicContact CB-CE2 4.04Å; K150-F154 WeakPolarHBondContact O-CB 3.47Å; K150-F154 WeakPolarHBondContact O-CD2 3.47Å; K150-F154 WeakPolarHBondContact O-CG 3.27Å; K150-F154 PolarHBondContact O-N 2.85Å; L151-F154 PolarHBondContact O-N 3.29Å; F154-K157 CarbonylContact O-C 3.36Å; F154-K157 PolarHBondContact O-N 2.92Å; F154-G158 PolarHBondContact O-N 3.31Å; F154-Q159 HydrophobicContact CB-CB 4.47Å; F154-Q159 HydrophobicContact CD1-CB 4.27Å; F154-Q159 PolarHBondContact O-N 3.46Å
155	A	82.1	Confident	87.1	Confident	5 Å²	5	71.7 Å²	71.7	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-43.3	177.2	0	0	0	0	0	112.3	P22 L151 V152 T153 K157 G158 L160	P22-A155 HydrophobicContact CB-CB 4.18Å; P22-A155 WeakPolarHBondContact CD-O 3.02Å; P22-A155 HydrophobicContact CG-CB 3.57Å; L151-A155 WeakPolarHBondContact O-CB 3.4Å; L151-A155 PolarHBondContact O-N 3.42Å; V152-A155 PolarHBondContact O-N 3.26Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 2.87Å; A155-K157 PolarHBondContact O-N 3.11Å; A155-G158 PolarHBondContact O-N 2.96Å; A155-L160 HydrophobicContact CB-CB 4.16Å; A155-L160 HydrophobicContact CB-CD1 4.42Å; A155-L160 HydrophobicContact CB-CD2 3.97Å; A155-L160 HydrophobicContact CB-CG 4.44Å
156	L	83.3	Confident	87.1	Confident	67 Å²	67	72.5 Å²	72.5	35%	0.351	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-23.7	174.1	-78.3	175.7	0	0	0	113.8	L24 T131 V152 T153 G158	L24-L156 HydrophobicContact CD1-CD1 4.27Å; L24-L156 HydrophobicContact CD1-CD2 3.78Å; L24-L156 HydrophobicContact CD1-CG 4.3Å; T131-L156 HydrophobicContact CG2-CD1 4.29Å; V152-L156 HydrophobicContact CG1-CD1 4.12Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.45Å; V152-L156 WeakPolarHBondContact O-CG 3.46Å; V152-L156 PolarHBondContact O-N 3.32Å; T153-L156 PolarHBondContact O-N 3.06Å; L156-G158 VanDerWaalsContact C-N 3.34Å
157	K	83.9	Confident	87.2	Confident	120 Å²	120	73.8 Å²	73.8	52%	0.522	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	2.3	173.9	-69	177.4	-179.9	179.2	0	113.3	T153 F154 A155 Q159	T153-K157 HydrophobicContact CG2-CD 4.47Å; T153-K157 WeakPolarHBondContact O-CG 3.38Å; T153-K157 PolarHBondContact O-N 2.82Å; T153-K157 VanDerWaalsContact O-N 3.15Å; F154-K157 CarbonylContact O-C 3.36Å; F154-K157 PolarHBondContact O-N 2.92Å; A155-K157 PolarHBondContact O-N 3.11Å; K157-Q159 HydrophobicContact CB-CB 4.39Å; K157-Q159 HydrophobicContact CB-CG 4.04Å; K157-Q159 PolarHBondContact O-N 3.16Å
158	G	79.1	Confident	87.6	Confident	8 Å²	8	67.5 Å²	67.5	8%	0.082	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	17.6	-175.1	0	0	0	0	0	114.2	F154 A155 L156 K166	F154-G158 PolarHBondContact O-N 3.31Å; A155-G158 PolarHBondContact O-N 2.96Å; L156-G158 VanDerWaalsContact C-N 3.34Å; G158-K166 PolarHBondContact O-NZ 3.15Å
159	Q	84.6	Confident	88.2	Confident	118 Å²	118	64.4 Å²	64.4	55%	0.551	33%	0.331	S	S	*	.			trans	-102.6	6.7	-174	-69.6	175.6	0.5	0	0	113.3	F154 K157 F161	F154-Q159 HydrophobicContact CB-CB 4.47Å; F154-Q159 HydrophobicContact CD1-CB 4.27Å; F154-Q159 PolarHBondContact O-N 3.46Å; K157-Q159 HydrophobicContact CB-CB 4.39Å; K157-Q159 HydrophobicContact CB-CG 4.04Å; K157-Q159 PolarHBondContact O-N 3.16Å; Q159-F161 VanDerWaalsContact C-N 3.3Å; Q159-F161 PolarHBondContact O-N 2.91Å
160	L	87.7	Confident	88.7	Confident	48 Å²	48	65 Å²	65	25%	0.251	33%	0.328	S	S	.	.	S	Bend	trans	-67.7	-31.5	-178.2	-171.4	66.3	0	0	0	113	L151 A155 F322	L151-L160 HydrophobicContact CD2-CD1 4.39Å; A155-L160 HydrophobicContact CB-CB 4.16Å; A155-L160 HydrophobicContact CB-CD1 4.42Å; A155-L160 HydrophobicContact CB-CD2 3.97Å; A155-L160 HydrophobicContact CB-CG 4.44Å; L160-F322 HydrophobicContact CD2-CD1 4.38Å; L160-F322 HydrophobicContact CD2-CE1 3.31Å; L160-F322 HydrophobicContact CD2-CZ 3.59Å
161	F	91	Very high	89.4	Confident	17 Å²	17	62.4 Å²	62.4	8%	0.075	32%	0.318	C	S	.	.	S	Bend	trans	-113.4	136.4	-172.9	-59.1	-71	0	0	0	111.8	V20 Q159 Q165 K166 M169 F293 F322	V20-F161 HydrophobicContact CB-CD2 4.04Å; V20-F161 HydrophobicContact CB-CE2 4.16Å; V20-F161 HydrophobicContact CG1-CD2 3.98Å; V20-F161 HydrophobicContact CG1-CE2 3.6Å; Q159-F161 VanDerWaalsContact C-N 3.3Å; Q159-F161 PolarHBondContact O-N 2.91Å; F161-Q165 HydrophobicContact CB-CB 4.14Å; F161-Q165 HydrophobicContact CD1-CB 4.46Å; F161-K166 HydrophobicContact CB-CG 4.08Å; F161-M169 HydrophobicContact CB-CE 4.16Å; F161-M169 HydrophobicContact CD1-CE 3.22Å; F161-M169 HydrophobicContact CD2-CE 3.71Å; F161-M169 HydrophobicContact CD2-SD 4.34Å; F161-M169 HydrophobicContact CE1-CE 3.36Å; F161-M169 HydrophobicContact CE2-CE 3.83Å; F161-M169 HydrophobicContact CG-CE 3.4Å; F161-M169 VanDerWaalsContact CG-CE 3.4Å; F161-M169 HydrophobicContact CG-SD 4.26Å; F161-M169 HydrophobicContact CZ-CE 3.65Å; F161-F293 HydrophobicContact CE1-CE1 4.25Å; F161-F293 HydrophobicContact CE1-CZ 4.26Å; F161-F293 HydrophobicContact CE2-CE1 4.12Å; F161-F293 AromaticContact CZ-CE1 3.66Å; F161-F293 HydrophobicContact CZ-CE1 3.66Å; F161-F293 AromaticContact CZ-CZ 4Å; F161-F293 HydrophobicContact CZ-CZ 4Å; F161-F322 AromaticContact CE2-CD1 3.82Å; F161-F322 HydrophobicContact CE2-CD1 3.82Å; F161-F322 AromaticContact CE2-CE1 3.88Å; F161-F322 HydrophobicContact CE2-CE1 3.88Å; F161-F322 HydrophobicContact CE2-CG 4.23Å; F161-F322 HydrophobicContact CE2-CZ 4.32Å; F161-F322 HydrophobicContact CZ-CD1 4Å; F161-F322 HydrophobicContact CZ-CD2 4.16Å; F161-F322 AromaticContact CZ-CE1 3.78Å; F161-F322 HydrophobicContact CZ-CE1 3.78Å; F161-F322 AromaticContact CZ-CE2 3.92Å; F161-F322 HydrophobicContact CZ-CE2 3.92Å; F161-F322 HydrophobicContact CZ-CG 4.19Å; F161-F322 AromaticContact CZ-CZ 3.74Å; F161-F322 HydrophobicContact CZ-CZ 3.74Å
162	T	92.3	Very high	90.3	Very high	79 Å²	79	57.3 Å²	57.3	49%	0.485	29%	0.291	S	S	.	.			trans	-66.8	162.8	174.2	70.4	0	0	0	0	111	H164 Q165 K166	T162-H164 VanDerWaalsContact C-N 3.26Å; T162-H164 PolarHBondContact O-N 3.39Å; T162-Q165 PolarHBondContact O-N 3.46Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.3Å; T162-Q165 PolarHBondContact OG1-N 3.17Å; T162-Q165 PolarHBondContact OG1-OE1 3.23Å; T162-K166 WeakPolarHBondContact O-CG 3.4Å; T162-K166 PolarHBondContact O-N 3.41Å
163	A	91.9	Very high	91	Very high	81 Å²	81	56.5 Å²	56.5	67%	0.669	29%	0.286	S	S	*	.	H	α-helix	trans	-55.9	-42.7	175.3	0	0	0	0	0	111.9	K166 T167	A163-K166 PolarHBondContact O-N 3.05Å; A163-T167 PolarHBondContact O-N 2.9Å; A163-T167 PolarHBondContact O-OG1 3.49Å
164	H	93.9	Very high	91.6	Very high	107 Å²	107	58 Å²	58	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-46.1	176.9	179.9	65	0	0	0	112.3	T162 K166 T167 K168 E201	T162-H164 VanDerWaalsContact C-N 3.26Å; T162-H164 PolarHBondContact O-N 3.39Å; H164-K166 VanDerWaalsContact C-N 3.31Å; H164-K166 PolarHBondContact O-N 3.41Å; H164-T167 WeakPolarHBondContact O-CB 3.3Å; H164-T167 PolarHBondContact O-N 3.17Å; H164-T167 VanDerWaalsContact O-N 3.12Å; H164-K168 PolarHBondContact O-N 2.91Å; H164-E201 IonicContact NE2-OE1 3.66Å
165	Q	94.9	Very high	92.3	Very high	77 Å²	77	55.3 Å²	55.3	36%	0.36	29%	0.287	S	S	.	.	H	α-helix	trans	-60.8	-41	176.2	-73.4	170.9	-33	0	0	111.6	F161 T162 T167 K168 M169	F161-Q165 HydrophobicContact CB-CB 4.14Å; F161-Q165 HydrophobicContact CD1-CB 4.46Å; T162-Q165 PolarHBondContact O-N 3.46Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.3Å; T162-Q165 PolarHBondContact OG1-N 3.17Å; T162-Q165 PolarHBondContact OG1-OE1 3.23Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; Q165-T167 PolarHBondContact O-N 3.01Å; Q165-K168 PolarHBondContact O-N 3.48Å; Q165-M169 WeakPolarHBondContact O-CG 3.47Å; Q165-M169 PolarHBondContact O-N 2.99Å
166	K	94.4	Very high	93.1	Very high	59 Å²	59	55 Å²	55	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-37.5	175	-68.6	-176.5	-178	-174.2	0	112.2	W18 G158 F161 T162 A163 H164 M169 R170	W18-K166 HydrophobicContact CH2-CB 4Å; W18-K166 HydrophobicContact CH2-CG 4.41Å; W18-K166 WeakPolarHBondContact CH2-O 3.02Å; W18-K166 HydrophobicContact CZ2-CB 4.41Å; W18-K166 WeakPolarHBondContact CZ2-O 3.23Å; G158-K166 PolarHBondContact O-NZ 3.15Å; F161-K166 HydrophobicContact CB-CG 4.08Å; T162-K166 WeakPolarHBondContact O-CG 3.4Å; T162-K166 PolarHBondContact O-N 3.41Å; A163-K166 PolarHBondContact O-N 3.05Å; H164-K166 VanDerWaalsContact C-N 3.31Å; H164-K166 PolarHBondContact O-N 3.41Å; K166-M169 PolarHBondContact O-N 3.1Å; K166-R170 PolarHBondContact O-N 3.16Å
167	T	95.3	Very high	93.8	Very high	66 Å²	66	52.6 Å²	52.6	41%	0.405	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-48.4	172.2	-56.9	0	0	0	0	111.3	A163 H164 Q165 M169 R170 E171	A163-T167 PolarHBondContact O-N 2.9Å; A163-T167 PolarHBondContact O-OG1 3.49Å; H164-T167 WeakPolarHBondContact O-CB 3.3Å; H164-T167 PolarHBondContact O-N 3.17Å; H164-T167 VanDerWaalsContact O-N 3.12Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; Q165-T167 PolarHBondContact O-N 3.01Å; T167-M169 PolarHBondContact O-N 2.89Å; T167-R170 WeakPolarHBondContact O-CB 3.45Å; T167-R170 PolarHBondContact O-N 2.86Å; T167-R170 VanDerWaalsContact O-N 3.16Å; T167-E171 WeakPolarHBondContact O-CG 3.38Å; T167-E171 PolarHBondContact O-N 3.11Å
168	K	97.2	Very high	94.5	Very high	37 Å²	37	52.7 Å²	52.7	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-44.3	176.4	-65	-58.5	-61.4	171.8	0	112.3	H164 Q165 R170 E171 Y172 E201	H164-K168 PolarHBondContact O-N 2.91Å; Q165-K168 PolarHBondContact O-N 3.48Å; K168-R170 VanDerWaalsContact C-N 3.27Å; K168-R170 PolarHBondContact O-N 3.31Å; K168-E171 WeakPolarHBondContact CD-OE2 3.42Å; K168-E171 WeakPolarHBondContact CE-OE2 3.35Å; K168-E171 IonicContact NZ-OE2 3.63Å; K168-E171 PolarHBondContact NZ-OE2 2.77Å; K168-E171 WeakPolarHBondContact O-CB 3.4Å; K168-E171 PolarHBondContact O-N 3.4Å; K168-E171 VanDerWaalsContact O-N 3.11Å; K168-Y172 HydrophobicContact CB-CD2 4.44Å; K168-Y172 HydrophobicContact CB-CE2 3.85Å; K168-Y172 WeakPolarHBondContact CE-OH 2.95Å; K168-Y172 WeakPolarHBondContact O-CD2 3.3Å; K168-Y172 VanDerWaalsContact O-CG 3.24Å; K168-Y172 PolarHBondContact O-N 2.78Å; K168-E201 VanDerWaalsContact CE-OE2 3.26Å; K168-E201 WeakPolarHBondContact CE-OE2 3.19Å; K168-E201 IonicContact NZ-OE2 2.81Å
169	M	97.3	Very high	95.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-56.3	-41.9	175.1	-69.7	173.2	177.6	0	0	112.1	W18 V20 F161 Q165 K166 T167 M173 Y271 F293 V325	W18-M169 HydrophobicContact CH2-CB 3.99Å; V20-M169 HydrophobicContact CG2-SD 4.01Å; F161-M169 HydrophobicContact CB-CE 4.16Å; F161-M169 HydrophobicContact CD1-CE 3.22Å; F161-M169 HydrophobicContact CD2-CE 3.71Å; F161-M169 HydrophobicContact CD2-SD 4.34Å; F161-M169 HydrophobicContact CE1-CE 3.36Å; F161-M169 HydrophobicContact CE2-CE 3.83Å; F161-M169 HydrophobicContact CG-CE 3.4Å; F161-M169 VanDerWaalsContact CG-CE 3.4Å; F161-M169 HydrophobicContact CG-SD 4.26Å; F161-M169 HydrophobicContact CZ-CE 3.65Å; Q165-M169 WeakPolarHBondContact O-CG 3.47Å; Q165-M169 PolarHBondContact O-N 2.99Å; K166-M169 PolarHBondContact O-N 3.1Å; T167-M169 PolarHBondContact O-N 2.89Å; M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 PolarHBondContact O-N 2.91Å; M169-Y271 HydrophobicContact CB-CE1 3.85Å; M169-Y271 HydrophobicContact CG-CE1 3.74Å; M169-Y271 WeakPolarHBondContact CG-OH 3.03Å; M169-F293 HydrophobicContact CE-CD1 4.11Å; M169-F293 HydrophobicContact CE-CE1 3.36Å; M169-F293 HydrophobicContact CE-CZ 3.73Å; M169-F293 HydrophobicContact SD-CD1 4.41Å; M169-F293 HydrophobicContact SD-CE1 4.2Å; M169-V325 HydrophobicContact CB-CG1 4.24Å
170	R	97.2	Very high	96.1	Very high	86 Å²	86	46.9 Å²	46.9	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-46.9	174.6	-171.5	-170.2	-55.4	-164.2	4.2	111.5	D16 W18 K166 T167 K168 Y172 M173 C174 M326	D16-R170 IonicContact OD1-CZ 3.27Å; D16-R170 IonicContact OD1-NE 2.68Å; D16-R170 IonicContact OD1-NH1 2.79Å; D16-R170 PolarHBondContact OD1-NH1 3.43Å; D16-R170 IonicContact OD1-NH2 2.78Å; D16-R170 PolarHBondContact OD1-NH2 2.97Å; D16-R170 IonicContact OD2-CZ 2.56Å; D16-R170 IonicContact OD2-NH1 3.85Å; D16-R170 PolarHBondContact OD2-NH1 2.96Å; D16-R170 IonicContact OD2-NH2 3.12Å; D16-R170 PolarHBondContact OD2-NH2 2.97Å; W18-R170 HydrophobicContact CZ2-CB 4.08Å; K166-R170 PolarHBondContact O-N 3.16Å; T167-R170 WeakPolarHBondContact O-CB 3.45Å; T167-R170 PolarHBondContact O-N 2.86Å; T167-R170 VanDerWaalsContact O-N 3.16Å; K168-R170 VanDerWaalsContact C-N 3.27Å; K168-R170 PolarHBondContact O-N 3.31Å; R170-Y172 VanDerWaalsContact C-N 3.32Å; R170-Y172 PolarHBondContact O-N 3.49Å; R170-M173 PolarHBondContact O-N 3.14Å; R170-C174 VanDerWaalsContact O-CB 3.27Å; R170-C174 WeakPolarHBondContact O-CB 3.26Å; R170-C174 PolarHBondContact O-N 3.43Å; R170-C174 PolarHBondContact O-SG 3.12Å; R170-M326 HydrophobicContact CB-SD 4.4Å; R170-M326 HydrophobicContact CG-CE 4.46Å; R170-M326 HydrophobicContact CG-CG 4.25Å; R170-M326 HydrophobicContact CG-SD 3.67Å
171	E	97.9	Very high	96.6	Very high	89 Å²	89	49.8 Å²	49.8	42%	0.416	26%	0.256	S	S	.	.	H	α-helix	trans	-56.6	-47.4	178	-69.9	171	-172.8	0	0	111.4	T167 K168 C174 V175	T167-E171 WeakPolarHBondContact O-CG 3.38Å; T167-E171 PolarHBondContact O-N 3.11Å; K168-E171 WeakPolarHBondContact CD-OE2 3.42Å; K168-E171 WeakPolarHBondContact CE-OE2 3.35Å; K168-E171 IonicContact NZ-OE2 3.63Å; K168-E171 PolarHBondContact NZ-OE2 2.77Å; K168-E171 WeakPolarHBondContact O-CB 3.4Å; K168-E171 PolarHBondContact O-N 3.4Å; K168-E171 VanDerWaalsContact O-N 3.11Å; E171-C174 WeakPolarHBondContact O-CB 3.45Å; E171-C174 PolarHBondContact O-N 3.02Å; E171-V175 WeakPolarHBondContact O-CG2 3.45Å; E171-V175 PolarHBondContact O-N 3.11Å; E171-V175 VanDerWaalsContact O-N 3.14Å
172	Y	98.6	Very high	96.9	Very high	11 Å²	11	51 Å²	51	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-43.7	179.5	-56.7	-40	0	0	0	112.4	K168 R170 C174 V175 A176 V196 E201 I203 Y271	K168-Y172 HydrophobicContact CB-CD2 4.44Å; K168-Y172 HydrophobicContact CB-CE2 3.85Å; K168-Y172 WeakPolarHBondContact CE-OH 2.95Å; K168-Y172 WeakPolarHBondContact O-CD2 3.3Å; K168-Y172 VanDerWaalsContact O-CG 3.24Å; K168-Y172 PolarHBondContact O-N 2.78Å; R170-Y172 VanDerWaalsContact C-N 3.32Å; R170-Y172 PolarHBondContact O-N 3.49Å; Y172-C174 VanDerWaalsContact C-N 3.35Å; Y172-C174 PolarHBondContact O-N 3.34Å; Y172-V175 WeakPolarHBondContact O-CB 3.37Å; Y172-V175 PolarHBondContact O-N 3.48Å; Y172-V175 VanDerWaalsContact O-N 3.17Å; Y172-A176 PolarHBondContact O-N 3.44Å; Y172-V196 HydrophobicContact CD1-CG1 3.71Å; Y172-V196 HydrophobicContact CD2-CG1 4.12Å; Y172-V196 HydrophobicContact CD2-CG2 4.25Å; Y172-V196 HydrophobicContact CE1-CB 4.48Å; Y172-V196 HydrophobicContact CE1-CG1 3.87Å; Y172-V196 HydrophobicContact CE2-CB 4.46Å; Y172-V196 HydrophobicContact CE2-CG1 4.28Å; Y172-V196 HydrophobicContact CE2-CG2 4.06Å; Y172-V196 HydrophobicContact CG-CG1 3.83Å; Y172-E201 VanDerWaalsContact OH-C 3.29Å; Y172-E201 VanDerWaalsContact OH-CA 3.31Å; Y172-E201 WeakPolarHBondContact OH-CA 3.35Å; Y172-E201 WeakPolarHBondContact OH-CB 3.25Å; Y172-E201 PolarHBondContact OH-O 3.49Å; Y172-I203 HydrophobicContact CD1-CD1 4.19Å; Y172-I203 HydrophobicContact CD1-CG1 3.92Å; Y172-I203 HydrophobicContact CE1-CG1 4.01Å; Y172-Y271 HydrophobicContact CD2-CD2 4.01Å; Y172-Y271 HydrophobicContact CD2-CE1 4.32Å; Y172-Y271 AromaticContact CD2-CE2 3.47Å; Y172-Y271 HydrophobicContact CD2-CE2 3.47Å; Y172-Y271 VanDerWaalsContact CD2-CE2 3.47Å; Y172-Y271 AromaticContact CD2-CZ 3.65Å; Y172-Y271 HydrophobicContact CE2-CE2 4.25Å; Y172-Y271 HydrophobicContact CG-CD2 4.18Å; Y172-Y271 HydrophobicContact CG-CE2 4.11Å
173	M	98.4	Very high	97.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-34.5	177.1	-170.5	60.5	77.2	0	0	112	M169 R170 V175 A176 V177 Y271 V272 T273 V325 M326	M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 PolarHBondContact O-N 2.91Å; R170-M173 PolarHBondContact O-N 3.14Å; M173-V175 VanDerWaalsContact C-N 3.29Å; M173-V175 PolarHBondContact O-N 3.44Å; M173-A176 WeakPolarHBondContact O-CB 3.28Å; M173-A176 PolarHBondContact O-N 2.85Å; M173-A176 VanDerWaalsContact O-N 3.13Å; M173-A176 HydrophobicContact SD-CB 4.06Å; M173-V177 WeakPolarHBondContact O-CG2 3.42Å; M173-V177 PolarHBondContact O-N 2.97Å; M173-Y271 HydrophobicContact CE-CD1 4.43Å; M173-V272 WeakPolarHBondContact CE-O 3.46Å; M173-T273 HydrophobicContact SD-CG2 4.11Å; M173-V325 HydrophobicContact CB-CG1 3.83Å; M173-V325 HydrophobicContact CE-CB 3.9Å; M173-V325 HydrophobicContact CE-CG1 4.02Å; M173-V325 HydrophobicContact CG-CG1 4.09Å; M173-M326 HydrophobicContact CB-CG 4.25Å; M173-M326 HydrophobicContact CB-SD 3.69Å; M173-M326 HydrophobicContact CG-CB 3.94Å; M173-M326 HydrophobicContact CG-CG 4.12Å; M173-M326 HydrophobicContact CG-SD 3.86Å
174	C	98.4	Very high	97.3	Very high	43 Å²	43	46.5 Å²	46.5	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-40.8	170.3	-84	0	0	0	0	112	R170 E171 Y172 V177 K178 M326	R170-C174 VanDerWaalsContact O-CB 3.27Å; R170-C174 WeakPolarHBondContact O-CB 3.26Å; R170-C174 PolarHBondContact O-N 3.43Å; R170-C174 PolarHBondContact O-SG 3.12Å; E171-C174 WeakPolarHBondContact O-CB 3.45Å; E171-C174 PolarHBondContact O-N 3.02Å; Y172-C174 VanDerWaalsContact C-N 3.35Å; Y172-C174 PolarHBondContact O-N 3.34Å; C174-V177 PolarHBondContact O-N 3.29Å; C174-K178 WeakPolarHBondContact O-CG 3.39Å; C174-K178 PolarHBondContact O-N 3.23Å; C174-M326 VanDerWaalsContact SG-CE 3.56Å
175	V	98.6	Very high	97.4	Very high	39 Å²	39	49 Å²	49	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-42.2	174.9	176.2	0	0	0	0	110.6	E171 Y172 M173 K178 A179 V194 I203 V206	E171-V175 WeakPolarHBondContact O-CG2 3.45Å; E171-V175 PolarHBondContact O-N 3.11Å; E171-V175 VanDerWaalsContact O-N 3.14Å; Y172-V175 WeakPolarHBondContact O-CB 3.37Å; Y172-V175 PolarHBondContact O-N 3.48Å; Y172-V175 VanDerWaalsContact O-N 3.17Å; M173-V175 VanDerWaalsContact C-N 3.29Å; M173-V175 PolarHBondContact O-N 3.44Å; V175-K178 PolarHBondContact O-N 2.81Å; V175-A179 PolarHBondContact O-N 3.25Å; V175-V194 HydrophobicContact CB-CG2 3.99Å; V175-V194 HydrophobicContact CG1-CG2 3.71Å; V175-I203 HydrophobicContact CB-CD1 4.43Å; V175-I203 HydrophobicContact CG1-CD1 4.33Å; V175-I203 HydrophobicContact CG2-CD1 3.97Å; V175-V206 HydrophobicContact CG1-CG1 3.92Å; V175-V206 HydrophobicContact CG1-CG2 3.77Å
176	A	98.7	Very high	97.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-45.1	175.4	0	0	0	0	0	111.9	Y172 M173 K178 A179 A180 G192 V194 T273	Y172-A176 PolarHBondContact O-N 3.44Å; M173-A176 WeakPolarHBondContact O-CB 3.28Å; M173-A176 PolarHBondContact O-N 2.85Å; M173-A176 VanDerWaalsContact O-N 3.13Å; M173-A176 HydrophobicContact SD-CB 4.06Å; A176-K178 PolarHBondContact O-N 3.33Å; A176-A179 PolarHBondContact O-N 2.79Å; A176-A180 WeakPolarHBondContact O-CB 3.12Å; A176-A180 PolarHBondContact O-N 2.83Å; A176-G192 WeakPolarHBondContact O-CA 3.39Å; A176-V194 HydrophobicContact CB-CG2 3.82Å; A176-T273 HydrophobicContact CB-CG2 3.84Å
177	V	98.5	Very high	97.4	Very high	15 Å²	15	49.1 Å²	49.1	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-42.5	176.1	169.1	0	0	0	0	111.4	M173 C174 A180 K181 T273 L333	M173-V177 WeakPolarHBondContact O-CG2 3.42Å; M173-V177 PolarHBondContact O-N 2.97Å; C174-V177 PolarHBondContact O-N 3.29Å; V177-A180 WeakPolarHBondContact O-CB 3.25Å; V177-A180 PolarHBondContact O-N 3.34Å; V177-K181 HydrophobicContact CG1-CD 4.49Å; V177-K181 WeakPolarHBondContact O-CG 3.47Å; V177-K181 PolarHBondContact O-N 3.38Å; V177-T273 HydrophobicContact CB-CG2 4.47Å; V177-T273 HydrophobicContact CG2-CG2 3.8Å; V177-L333 HydrophobicContact CB-CD1 4.47Å; V177-L333 HydrophobicContact CG1-CD1 4.27Å; V177-L333 HydrophobicContact CG2-CD1 4.17Å
178	K	98.4	Very high	97.4	Very high	123 Å²	123	47.1 Å²	47.1	54%	0.535	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-45.4	175.6	-74.2	173.6	-177.9	179.3	0	111.6	C174 V175 A176 A180 K181 S182	C174-K178 WeakPolarHBondContact O-CG 3.39Å; C174-K178 PolarHBondContact O-N 3.23Å; V175-K178 PolarHBondContact O-N 2.81Å; A176-K178 PolarHBondContact O-N 3.33Å; K178-A180 VanDerWaalsContact C-N 3.33Å; K178-A180 PolarHBondContact O-N 2.92Å; K178-K181 PolarHBondContact O-N 3.45Å; K178-S182 PolarHBondContact O-N 3.32Å; K178-S182 PolarHBondContact O-OG 2.88Å
179	A	98.4	Very high	97.3	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-42.7	176.1	0	0	0	0	0	111.7	V175 A176 K181 S182 G183 V206 H208	V175-A179 PolarHBondContact O-N 3.25Å; A176-A179 PolarHBondContact O-N 2.79Å; A179-K181 VanDerWaalsContact C-N 3.33Å; A179-K181 PolarHBondContact O-N 3Å; A179-S182 PolarHBondContact O-N 2.79Å; A179-G183 PolarHBondContact O-N 3Å; A179-V206 HydrophobicContact CB-CG1 3.73Å; A179-H208 HydrophobicContact CB-CB 4.37Å; A179-H208 VanDerWaalsContact O-CB 3.24Å; A179-H208 WeakPolarHBondContact O-CB 3.42Å
180	A	98.3	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-43.7	176.1	0	0	0	0	0	112.3	A176 V177 K178 G183 R184 T273 L333	A176-A180 WeakPolarHBondContact O-CB 3.12Å; A176-A180 PolarHBondContact O-N 2.83Å; V177-A180 WeakPolarHBondContact O-CB 3.25Å; V177-A180 PolarHBondContact O-N 3.34Å; K178-A180 VanDerWaalsContact C-N 3.33Å; K178-A180 PolarHBondContact O-N 2.92Å; A180-G183 PolarHBondContact O-N 2.8Å; A180-R184 PolarHBondContact O-N 3.11Å; A180-T273 HydrophobicContact CB-CG2 4.4Å; A180-L333 HydrophobicContact CB-CD1 3.77Å; A180-L333 HydrophobicContact CB-CD2 4.42Å
181	K	97.9	Very high	97.3	Very high	109 Å²	109	43.6 Å²	43.6	47%	0.474	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-44.8	176.5	-70.5	-179.9	178.7	-170.9	0	111.8	V177 K178 A179 G183 R184 E185 L333	V177-K181 HydrophobicContact CG1-CD 4.49Å; V177-K181 WeakPolarHBondContact O-CG 3.47Å; V177-K181 PolarHBondContact O-N 3.38Å; K178-K181 PolarHBondContact O-N 3.45Å; A179-K181 VanDerWaalsContact C-N 3.33Å; A179-K181 PolarHBondContact O-N 3Å; K181-G183 VanDerWaalsContact C-N 3.3Å; K181-G183 PolarHBondContact O-N 2.86Å; K181-R184 WeakPolarHBondContact O-CB 3.47Å; K181-R184 PolarHBondContact O-N 3.4Å; K181-R184 VanDerWaalsContact O-N 3.14Å; K181-E185 WeakPolarHBondContact O-CG 3.24Å; K181-E185 PolarHBondContact O-N 2.88Å; K181-L333 HydrophobicContact CG-CD2 3.88Å
182	S	97.5	Very high	97.3	Very high	42 Å²	42	39.3 Å²	39.3	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-38.4	174.3	-60.6	0	0	0	0	112.5	K178 A179 E185 L186	K178-S182 PolarHBondContact O-N 3.32Å; K178-S182 PolarHBondContact O-OG 2.88Å; A179-S182 PolarHBondContact O-N 2.79Å; S182-E185 PolarHBondContact O-N 2.96Å; S182-L186 WeakPolarHBondContact O-CG 2.96Å; S182-L186 PolarHBondContact O-N 2.85Å
183	G	96.8	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-43.8	173.3	0	0	0	0	0	112.5	A179 A180 K181 E185 L186 G187 M188 H208	A179-G183 PolarHBondContact O-N 3Å; A180-G183 PolarHBondContact O-N 2.8Å; K181-G183 VanDerWaalsContact C-N 3.3Å; K181-G183 PolarHBondContact O-N 2.86Å; G183-E185 PolarHBondContact O-N 3.33Å; G183-L186 CarbonylContact O-C 3.51Å; G183-L186 WeakPolarHBondContact O-CA 3.37Å; G183-L186 WeakPolarHBondContact O-CB 3.46Å; G183-L186 PolarHBondContact O-N 3.35Å; G183-L186 VanDerWaalsContact O-N 3.08Å; G183-G187 PolarHBondContact O-N 2.78Å; G183-M188 VanDerWaalsContact O-CB 3.26Å; G183-M188 WeakPolarHBondContact O-CB 3.4Å; G183-M188 PolarHBondContact O-N 2.9Å; G183-H208 VanDerWaalsContact CA-ND1 3.34Å; G183-H208 WeakPolarHBondContact CA-ND1 3.39Å
184	R	96.1	Very high	97.4	Very high	65 Å²	65	38.8 Å²	38.8	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-42	176.4	-175.8	-171.7	-78.2	170.7	-10.8	112.5	A180 K181 L186 G187 A190 L333 E336	A180-R184 PolarHBondContact O-N 3.11Å; K181-R184 WeakPolarHBondContact O-CB 3.47Å; K181-R184 PolarHBondContact O-N 3.4Å; K181-R184 VanDerWaalsContact O-N 3.14Å; R184-L186 PolarHBondContact O-N 2.68Å; R184-G187 WeakPolarHBondContact O-CA 3.29Å; R184-G187 PolarHBondContact O-N 2.99Å; R184-A190 HydrophobicContact CB-CB 4.21Å; R184-L333 PolarHBondContact NH2-O 3.32Å; R184-E336 IonicContact CZ-OE2 2.74Å; R184-E336 IonicContact NH1-OE2 2.69Å; R184-E336 PolarHBondContact NH1-OE2 3.39Å; R184-E336 IonicContact NH2-OE2 2.89Å; R184-E336 PolarHBondContact NH2-OXT 3.5Å; R184-E336 VanDerWaalsContact NH2-OXT 3.07Å
185	E	96.1	Very high	97.4	Very high	160 Å²	160	36.8 Å²	36.8	75%	0.748	19%	0.194	S	C	*	.	H	α-helix	trans	-58.6	-27.2	175.7	-70.7	169	-177.7	0	0	112.3	K181 S182 G183 G187	K181-E185 WeakPolarHBondContact O-CG 3.24Å; K181-E185 PolarHBondContact O-N 2.88Å; S182-E185 PolarHBondContact O-N 2.96Å; G183-E185 PolarHBondContact O-N 3.33Å; E185-G187 VanDerWaalsContact C-N 3.33Å
186	L	95.3	Very high	97.3	Very high	87 Å²	87	35 Å²	35	46%	0.455	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	10.3	174.8	-60.3	175.6	0	0	0	113.5	S182 G183 R184 Y242	S182-L186 WeakPolarHBondContact O-CG 2.96Å; S182-L186 PolarHBondContact O-N 2.85Å; G183-L186 CarbonylContact O-C 3.51Å; G183-L186 WeakPolarHBondContact O-CA 3.37Å; G183-L186 WeakPolarHBondContact O-CB 3.46Å; G183-L186 PolarHBondContact O-N 3.35Å; G183-L186 VanDerWaalsContact O-N 3.08Å; R184-L186 PolarHBondContact O-N 2.68Å; L186-Y242 HydrophobicContact CD1-CD1 3.98Å
187	G	94.8	Very high	97.2	Very high	51 Å²	51	36 Å²	36	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	17.7	179.7	0	0	0	0	0	114.8	G183 R184 E185 R212	G183-G187 PolarHBondContact O-N 2.78Å; R184-G187 WeakPolarHBondContact O-CA 3.29Å; R184-G187 PolarHBondContact O-N 2.99Å; E185-G187 VanDerWaalsContact C-N 3.33Å; G187-R212 WeakPolarHBondContact O-CD 3.47Å
188	M	95.3	Very high	97	Very high	24 Å²	24	37.3 Å²	37.3	12%	0.118	20%	0.197	C	C	.	.	S	Bend	trans	-89.6	170.3	174.2	-52.6	-67.4	140.7	0	0	111.4	G183 D209 R212 Y242	G183-M188 VanDerWaalsContact O-CB 3.26Å; G183-M188 WeakPolarHBondContact O-CB 3.4Å; G183-M188 PolarHBondContact O-N 2.9Å; M188-D209 WeakPolarHBondContact CB-O 3.48Å; M188-D209 WeakPolarHBondContact CG-O 3.42Å; M188-R212 HydrophobicContact CE-CB 4.29Å; M188-R212 HydrophobicContact SD-CB 3.8Å; M188-Y242 HydrophobicContact CE-CE1 4.21Å
189	D	94.6	Very high	96.7	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	21%	0.211	C	C	.	.			trans	-68.8	143.1	171.1	-73.9	19.9	0	0	0	110.1	V191 D209 K211 R212	D189-V191 PolarHBondContact O-N 3.05Å; D189-D209 HydrophobicContact CB-CB 4.21Å; D189-D209 WeakPolarHBondContact O-CB 3.48Å; D189-K211 IonicContact OD1-NZ 3.11Å; D189-K211 WeakPolarHBondContact OD2-CE 3.46Å; D189-K211 IonicContact OD2-NZ 2.67Å; D189-K211 PolarHBondContact OD2-NZ 2.86Å; D189-R212 IonicContact OD1-CZ 2.72Å; D189-R212 IonicContact OD1-NE 2.59Å; D189-R212 PolarHBondContact OD1-NE 2.92Å; D189-R212 IonicContact OD1-NH2 3.52Å; D189-R212 PolarHBondContact OD1-NH2 3.44Å; D189-R212 VanDerWaalsContact OD1-NH2 3.16Å
190	A	96.9	Very high	96.4	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	23%	0.231	C	C	.	.	S	Bend	trans	-77.9	67.1	-177.2	0	0	0	0	0	112.7	R184 L333	R184-A190 HydrophobicContact CB-CB 4.21Å; A190-L333 HydrophobicContact CB-CB 4.17Å; A190-L333 HydrophobicContact CB-CD2 4.36Å; A190-L333 WeakPolarHBondContact CB-O 3.47Å
191	V	98	Very high	96.2	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	25%	0.248	C	C	.	.			trans	-124.6	130.4	175	-173.3	0	0	0	0	109.1	D189 H208 D209 A220 V272 R274	D189-V191 PolarHBondContact O-N 3.05Å; V191-H208 CarbonylContact O-C 3.56Å; V191-H208 WeakPolarHBondContact O-CA 3.36Å; V191-H208 WeakPolarHBondContact O-CB 3.45Å; V191-D209 HydrophobicContact CB-CB 4.26Å; V191-D209 PolarHBondContact O-N 3.2Å; V191-A220 HydrophobicContact CB-CB 4.33Å; V191-A220 HydrophobicContact CG1-CB 3.89Å; V191-V272 HydrophobicContact CG1-CG2 4.3Å; V191-R274 HydrophobicContact CG1-CB 4Å; V191-R274 HydrophobicContact CG2-CB 4.16Å
192	G	98.5	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.9	179.6	0	0	0	0	0	111.5	A176 A207 V272 T273	A176-G192 WeakPolarHBondContact O-CA 3.39Å; G192-A207 CarbonylContact C-O 3.53Å; G192-A207 WeakPolarHBondContact CA-O 3.49Å; G192-V272 WeakPolarHBondContact O-CA 3.44Å; G192-V272 WeakPolarHBondContact O-CG2 3.24Å; G192-T273 PolarHBondContact N-OG1 3.29Å; G192-T273 PolarHBondContact O-N 2.81Å
193	A	98.8	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.6	-176.3	0	0	0	0	0	110.9	A207 A220 C224 L270 Y271 V272	A193-A207 PolarHBondContact N-O 2.89Å; A193-A207 PolarHBondContact O-N 2.96Å; A193-A220 HydrophobicContact CB-CB 3.84Å; A193-C224 HydrophobicContact CB-CB 4.15Å; A193-L270 HydrophobicContact CB-CD1 4.08Å; A193-Y271 CarbonylContact C-O 3.57Å; A193-Y271 VanDerWaalsContact CA-O 3.29Å; A193-Y271 WeakPolarHBondContact CA-O 3.27Å; A193-V272 HydrophobicContact CB-CB 4.48Å; A193-V272 HydrophobicContact CB-CG2 4.24Å
194	V	98.8	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.6	177.5	-179.9	0	0	0	0	109	V175 A176 V196 I203 A205 V206 L270 Y271	V175-V194 HydrophobicContact CB-CG2 3.99Å; V175-V194 HydrophobicContact CG1-CG2 3.71Å; A176-V194 HydrophobicContact CB-CG2 3.82Å; V194-V196 HydrophobicContact CG1-CG1 3.78Å; V194-I203 HydrophobicContact CG1-CB 4.41Å; V194-I203 HydrophobicContact CG1-CD1 4.36Å; V194-I203 HydrophobicContact CG1-CG1 4.04Å; V194-I203 HydrophobicContact CG1-CG2 3.68Å; V194-A205 CarbonylContact C-O 3.55Å; V194-A205 VanDerWaalsContact CA-O 3.3Å; V194-A205 WeakPolarHBondContact CA-O 3.39Å; V194-V206 HydrophobicContact CG1-CG2 4.46Å; V194-V206 HydrophobicContact CG2-CG1 4.26Å; V194-V206 HydrophobicContact CG2-CG2 4.31Å; V194-L270 CarbonylContact O-C 3.05Å; V194-L270 WeakPolarHBondContact O-CA 3.46Å; V194-Y271 PolarHBondContact N-O 3.33Å; V194-Y271 PolarHBondContact O-N 3.13Å
195	I	98.6	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.5	170.8	-68.5	169.6	0	0	0	108.5	I204 A205 C224 I225 V228 Y268 D269 L270	I195-I204 HydrophobicContact CG2-CB 4.3Å; I195-I204 PolarHBondContact O-N 2.76Å; I195-A205 HydrophobicContact CB-CB 4.41Å; I195-A205 PolarHBondContact N-O 3.36Å; I195-A205 PolarHBondContact O-N 3.25Å; I195-C224 HydrophobicContact CD1-CB 3.86Å; I195-C224 HydrophobicContact CG1-CB 4.25Å; I195-I225 HydrophobicContact CD1-CG1 4.48Å; I195-V228 HydrophobicContact CB-CG2 4.33Å; I195-V228 HydrophobicContact CD1-CG2 3.75Å; I195-V228 HydrophobicContact CG2-CG2 4.17Å; I195-Y268 HydrophobicContact CG2-CD2 3.77Å; I195-Y268 HydrophobicContact CG2-CG 4.08Å; I195-D269 CarbonylContact C-O 3Å; I195-D269 WeakPolarHBondContact CA-O 3.32Å; I195-L270 HydrophobicContact CG1-CD1 3.8Å
196	V	97.9	Very high	96.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.7	-179.2	-50.2	0	0	0	0	111.2	Y172 V194 P198 Q202 I203 Y268 D269 Y271	Y172-V196 HydrophobicContact CD1-CG1 3.71Å; Y172-V196 HydrophobicContact CD2-CG1 4.12Å; Y172-V196 HydrophobicContact CD2-CG2 4.25Å; Y172-V196 HydrophobicContact CE1-CB 4.48Å; Y172-V196 HydrophobicContact CE1-CG1 3.87Å; Y172-V196 HydrophobicContact CE2-CB 4.46Å; Y172-V196 HydrophobicContact CE2-CG1 4.28Å; Y172-V196 HydrophobicContact CE2-CG2 4.06Å; Y172-V196 HydrophobicContact CG-CG1 3.83Å; V194-V196 HydrophobicContact CG1-CG1 3.78Å; V196-P198 WeakPolarHBondContact O-CD 3.49Å; V196-Q202 CarbonylContact C-O 3.55Å; V196-Q202 VanDerWaalsContact CA-O 3.24Å; V196-Q202 WeakPolarHBondContact CA-O 3.35Å; V196-Q202 WeakPolarHBondContact CB-O 3.4Å; V196-I203 HydrophobicContact CG1-CG1 4.02Å; V196-Y268 WeakPolarHBondContact O-CA 3.28Å; V196-Y268 WeakPolarHBondContact O-CB 3.44Å; V196-D269 HydrophobicContact CG2-CB 3.87Å; V196-D269 PolarHBondContact N-O 2.91Å; V196-D269 PolarHBondContact O-N 3.31Å; V196-Y271 HydrophobicContact CG1-CD2 4.3Å; V196-Y271 HydrophobicContact CG1-CE2 4.49Å; V196-Y271 HydrophobicContact CG2-CD2 4.12Å; V196-Y271 HydrophobicContact CG2-CE2 3.64Å
197	D	95.6	Very high	96.5	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.2	167.1	175.6	3.9	0	0	0	109.1	K199 T200 E201 Q202 I204 Y268	D197-K199 PolarHBondContact O-N 3.33Å; D197-K199 WeakPolarHBondContact OD1-CB 3.37Å; D197-K199 PolarHBondContact OD1-N 2.83Å; D197-T200 VanDerWaalsContact CB-OG1 3.32Å; D197-T200 WeakPolarHBondContact CB-OG1 3.41Å; D197-T200 PolarHBondContact O-N 2.77Å; D197-T200 VanDerWaalsContact OD2-CG2 3.28Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.29Å; D197-T200 PolarHBondContact OD2-OG1 3.4Å; D197-E201 VanDerWaalsContact O-CA 3.27Å; D197-E201 WeakPolarHBondContact O-CA 3.46Å; D197-E201 PolarHBondContact O-N 3.07Å; D197-Q202 PolarHBondContact N-O 2.99Å; D197-I204 HydrophobicContact CB-CD1 3.95Å; D197-I204 HydrophobicContact CB-CG1 4.07Å; D197-Y268 HydrophobicContact CB-CD1 3.82Å; D197-Y268 HydrophobicContact CB-CE1 3.57Å
198	P	93.9	Very high	96.6	Very high	42 Å²	42	30.9 Å²	30.9	27%	0.273	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.9	-178.1	28.6	-35.1	0	0	0	113.6	V196 G267	V196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-G267 VanDerWaalsContact CD-O 3.26Å; P198-G267 WeakPolarHBondContact CD-O 3.38Å; P198-G267 WeakPolarHBondContact CG-O 3.28Å
199	K	92	Very high	96.7	Very high	190 Å²	190	30 Å²	30	83%	0.826	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-37.5	177.7	-63.1	179.1	-179.6	175.3	0	112.2	D197	D197-K199 PolarHBondContact O-N 3.33Å; D197-K199 WeakPolarHBondContact OD1-CB 3.37Å; D197-K199 PolarHBondContact OD1-N 2.83Å
200	T	92.8	Very high	96.8	Very high	74 Å²	74	28.5 Å²	28.5	45%	0.454	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-6.9	-177	60.8	0	0	0	0	112.9	D197 Q202	D197-T200 VanDerWaalsContact CB-OG1 3.32Å; D197-T200 WeakPolarHBondContact CB-OG1 3.41Å; D197-T200 PolarHBondContact O-N 2.77Å; D197-T200 VanDerWaalsContact OD2-CG2 3.28Å; D197-T200 WeakPolarHBondContact OD2-CG2 3.29Å; D197-T200 PolarHBondContact OD2-OG1 3.4Å; T200-Q202 PolarHBondContact O-N 2.6Å; T200-Q202 VanDerWaalsContact O-N 3.11Å; T200-Q202 PolarHBondContact O-NE2 3.16Å
201	E	95.1	Very high	96.7	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	17.3	-174.6	-60.7	-170.9	178.6	0	0	114.1	H164 K168 Y172 D197	H164-E201 IonicContact NE2-OE1 3.66Å; K168-E201 VanDerWaalsContact CE-OE2 3.26Å; K168-E201 WeakPolarHBondContact CE-OE2 3.19Å; K168-E201 IonicContact NZ-OE2 2.81Å; Y172-E201 VanDerWaalsContact OH-C 3.29Å; Y172-E201 VanDerWaalsContact OH-CA 3.31Å; Y172-E201 WeakPolarHBondContact OH-CA 3.35Å; Y172-E201 WeakPolarHBondContact OH-CB 3.25Å; Y172-E201 PolarHBondContact OH-O 3.49Å; D197-E201 VanDerWaalsContact O-CA 3.27Å; D197-E201 WeakPolarHBondContact O-CA 3.46Å; D197-E201 PolarHBondContact O-N 3.07Å
202	Q	95.1	Very high	96.4	Very high	118 Å²	118	38.9 Å²	38.9	55%	0.551	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.1	-178.3	-63.5	-53.5	-51.3	0	0	111.7	V196 D197 T200 I204	V196-Q202 CarbonylContact C-O 3.55Å; V196-Q202 VanDerWaalsContact CA-O 3.24Å; V196-Q202 WeakPolarHBondContact CA-O 3.35Å; V196-Q202 WeakPolarHBondContact CB-O 3.4Å; D197-Q202 PolarHBondContact N-O 2.99Å; T200-Q202 PolarHBondContact O-N 2.6Å; T200-Q202 VanDerWaalsContact O-N 3.11Å; T200-Q202 PolarHBondContact O-NE2 3.16Å; Q202-I204 HydrophobicContact CB-CD1 4.47Å; Q202-I204 PolarHBondContact O-N 2.68Å
203	I	97.4	Very high	96.1	Very high	34 Å²	34	40.6 Å²	40.6	17%	0.174	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116.8	169.1	-65.9	171.3	0	0	0	108.4	Y172 V175 V194 V196 V206 S248	Y172-I203 HydrophobicContact CD1-CD1 4.19Å; Y172-I203 HydrophobicContact CD1-CG1 3.92Å; Y172-I203 HydrophobicContact CE1-CG1 4.01Å; V175-I203 HydrophobicContact CB-CD1 4.43Å; V175-I203 HydrophobicContact CG1-CD1 4.33Å; V175-I203 HydrophobicContact CG2-CD1 3.97Å; V194-I203 HydrophobicContact CG1-CB 4.41Å; V194-I203 HydrophobicContact CG1-CD1 4.36Å; V194-I203 HydrophobicContact CG1-CG1 4.04Å; V194-I203 HydrophobicContact CG1-CG2 3.68Å; V196-I203 HydrophobicContact CG1-CG1 4.02Å; I203-V206 HydrophobicContact CG2-CG2 3.52Å; I203-S248 WeakPolarHBondContact O-CB 3.3Å; I203-S248 PolarHBondContact O-OG 2.56Å
204	I	96.6	Very high	95.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-42.9	-179.8	-54.5	-56.3	0	0	0	111	I195 D197 Q202 V228 F247 S248 Y268	I195-I204 HydrophobicContact CG2-CB 4.3Å; I195-I204 PolarHBondContact O-N 2.76Å; D197-I204 HydrophobicContact CB-CD1 3.95Å; D197-I204 HydrophobicContact CB-CG1 4.07Å; Q202-I204 HydrophobicContact CB-CD1 4.47Å; Q202-I204 PolarHBondContact O-N 2.68Å; I204-V228 HydrophobicContact CG2-CG2 4.01Å; I204-F247 HydrophobicContact CG2-CD2 4.12Å; I204-F247 HydrophobicContact CG2-CE2 3.58Å; I204-F247 CarbonylContact O-C 3.56Å; I204-F247 VanDerWaalsContact O-CD2 3.29Å; I204-F247 WeakPolarHBondContact O-CD2 3.49Å; I204-S248 PolarHBondContact O-N 2.91Å; I204-Y268 HydrophobicContact CB-CE2 4.46Å; I204-Y268 HydrophobicContact CG1-CD2 4.34Å; I204-Y268 HydrophobicContact CG1-CE1 4.39Å; I204-Y268 HydrophobicContact CG1-CE2 4.02Å; I204-Y268 HydrophobicContact CG2-CE2 4Å
205	A	97.9	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.1	178.4	0	0	0	0	0	111.5	V194 I195 L227 V228 R246	V194-A205 CarbonylContact C-O 3.55Å; V194-A205 VanDerWaalsContact CA-O 3.3Å; V194-A205 WeakPolarHBondContact CA-O 3.39Å; I195-A205 HydrophobicContact CB-CB 4.41Å; I195-A205 PolarHBondContact N-O 3.36Å; I195-A205 PolarHBondContact O-N 3.25Å; A205-L227 HydrophobicContact CB-CB 4.08Å; A205-V228 HydrophobicContact CB-CG2 3.79Å; A205-R246 WeakPolarHBondContact CA-O 3.29Å
206	V	98.7	Very high	95	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.1	172.7	-177.3	0	0	0	0	107.5	V175 A179 V194 I203 L227 C245 R246	V175-V206 HydrophobicContact CG1-CG1 3.92Å; V175-V206 HydrophobicContact CG1-CG2 3.77Å; A179-V206 HydrophobicContact CB-CG1 3.73Å; V194-V206 HydrophobicContact CG1-CG2 4.46Å; V194-V206 HydrophobicContact CG2-CG1 4.26Å; V194-V206 HydrophobicContact CG2-CG2 4.31Å; I203-V206 HydrophobicContact CG2-CG2 3.52Å; V206-L227 VanDerWaalsContact O-CD1 3.27Å; V206-L227 WeakPolarHBondContact O-CD1 3.36Å; V206-C245 CarbonylContact O-C 3.58Å; V206-C245 VanDerWaalsContact O-CA 3.26Å; V206-C245 WeakPolarHBondContact O-CA 3.49Å; V206-R246 HydrophobicContact CB-CG 4.24Å; V206-R246 PolarHBondContact N-O 2.8Å; V206-R246 PolarHBondContact O-N 2.84Å
207	A	98.5	Very high	94.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.1	-179.3	0	0	0	0	0	112	G192 A193 A220 V223 C224 L227	G192-A207 CarbonylContact C-O 3.53Å; G192-A207 WeakPolarHBondContact CA-O 3.49Å; A193-A207 PolarHBondContact N-O 2.89Å; A193-A207 PolarHBondContact O-N 2.96Å; A207-A220 WeakPolarHBondContact CB-O 3.39Å; A207-V223 HydrophobicContact CB-CB 3.92Å; A207-V223 HydrophobicContact CB-CG1 3.67Å; A207-C224 HydrophobicContact CB-CB 3.83Å; A207-L227 HydrophobicContact CB-CD1 4.15Å
208	H	98.3	Very high	95	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	170.7	164.7	64.1	75.9	0	0	0	110.8	A179 G183 V191 C210 Y242 C245	A179-H208 HydrophobicContact CB-CB 4.37Å; A179-H208 VanDerWaalsContact O-CB 3.24Å; A179-H208 WeakPolarHBondContact O-CB 3.42Å; G183-H208 VanDerWaalsContact CA-ND1 3.34Å; G183-H208 WeakPolarHBondContact CA-ND1 3.39Å; V191-H208 CarbonylContact O-C 3.56Å; V191-H208 WeakPolarHBondContact O-CA 3.36Å; V191-H208 WeakPolarHBondContact O-CB 3.45Å; H208-C210 PolarHBondContact O-N 3.12Å; H208-C210 PolarHBondContact O-SG 2.62Å; H208-C210 VanDerWaalsContact O-SG 3.37Å; H208-Y242 AromaticContact CE1-CD1 3.78Å; H208-C245 VanDerWaalsContact CD2-SG 3.56Å
209	D	97.4	Very high	95.1	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.027	28%	0.282	C	S	.	.			trans	-58.3	133.8	173.7	-171.9	-86.3	0	0	0	110.8	M188 D189 V191 K211 H219	M188-D209 WeakPolarHBondContact CB-O 3.48Å; M188-D209 WeakPolarHBondContact CG-O 3.42Å; D189-D209 HydrophobicContact CB-CB 4.21Å; D189-D209 WeakPolarHBondContact O-CB 3.48Å; V191-D209 HydrophobicContact CB-CB 4.26Å; V191-D209 PolarHBondContact O-N 3.2Å; D209-K211 WeakPolarHBondContact OD1-CB 3.32Å; D209-K211 WeakPolarHBondContact OD1-CG 3.4Å; D209-K211 PolarHBondContact OD1-N 3.03Å; D209-H219 IonicContact OD2-CD2 2.71Å
210	C	97	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.			trans	-127.5	19.5	178.6	-63.1	0	0	0	0	111.1	H208 R212 G213 H218 V223 Y242	H208-C210 PolarHBondContact O-N 3.12Å; H208-C210 PolarHBondContact O-SG 2.62Å; H208-C210 VanDerWaalsContact O-SG 3.37Å; C210-R212 VanDerWaalsContact C-N 3.32Å; C210-R212 PolarHBondContact O-N 3.14Å; C210-G213 PolarHBondContact O-N 2.92Å; C210-H218 CarbonylContact C-O 3.37Å; C210-H218 WeakPolarHBondContact CA-O 3.33Å; C210-H218 HydrophobicContact CB-CB 3.81Å; C210-H218 PolarHBondContact N-O 3.48Å; C210-V223 HydrophobicContact CB-CG2 4.24Å; C210-Y242 HydrophobicContact CB-CD2 4.27Å; C210-Y242 HydrophobicContact CB-CE2 3.69Å; C210-Y242 WeakPolarHBondContact SG-CD2 3.41Å; C210-Y242 VanDerWaalsContact SG-CE2 3.51Å
211	K	93.9	Very high	95.7	Very high	71 Å²	71	42.9 Å²	42.9	31%	0.309	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.1	-165.7	87.3	-169.8	-168.9	-178.2	0	113.6	D189 D209 G213 H215 P216 H218	D189-K211 IonicContact OD1-NZ 3.11Å; D189-K211 WeakPolarHBondContact OD2-CE 3.46Å; D189-K211 IonicContact OD2-NZ 2.67Å; D189-K211 PolarHBondContact OD2-NZ 2.86Å; D209-K211 WeakPolarHBondContact OD1-CB 3.32Å; D209-K211 WeakPolarHBondContact OD1-CG 3.4Å; D209-K211 PolarHBondContact OD1-N 3.03Å; K211-G213 PolarHBondContact O-N 2.94Å; K211-H215 WeakPolarHBondContact CA-O 3.17Å; K211-H215 CarbonylContact O-C 3.5Å; K211-P216 WeakPolarHBondContact O-CA 3.26Å; K211-H218 PolarHBondContact N-O 3.18Å
212	R	92.3	Very high	95.9	Very high	168 Å²	168	41.7 Å²	41.7	63%	0.634	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1.2	174.7	-62.9	174.7	-176.3	-109.9	4.6	112.8	G187 M188 D189 C210	G187-R212 WeakPolarHBondContact O-CD 3.47Å; M188-R212 HydrophobicContact CE-CB 4.29Å; M188-R212 HydrophobicContact SD-CB 3.8Å; D189-R212 IonicContact OD1-CZ 2.72Å; D189-R212 IonicContact OD1-NE 2.59Å; D189-R212 PolarHBondContact OD1-NE 2.92Å; D189-R212 IonicContact OD1-NH2 3.52Å; D189-R212 PolarHBondContact OD1-NH2 3.44Å; D189-R212 VanDerWaalsContact OD1-NH2 3.16Å; C210-R212 VanDerWaalsContact C-N 3.32Å; C210-R212 PolarHBondContact O-N 3.14Å
213	G	90.4	Very high	96	Very high	37 Å²	37	36.1 Å²	36.1	38%	0.381	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-111.1	174.3	0	0	0	0	0	111.9	C210 K211 Y242	C210-G213 PolarHBondContact O-N 2.92Å; K211-G213 PolarHBondContact O-N 2.94Å; G213-Y242 WeakPolarHBondContact CA-OH 3.39Å
214	S	86.3	Confident	96	Very high	81 Å²	81	34.5 Å²	34.5	57%	0.566	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-24.9	-172.9	43	0	0	0	0	114.3	K241	S214-K241 PolarHBondContact OG-NZ 2.95Å
215	H	92.7	Very high	96.1	Very high	61 Å²	61	35.1 Å²	35.1	28%	0.282	19%	0.187	S	C	.	.			trans	-149.5	131.6	-175.5	-162	-51.5	0	0	0	111.4	K211 L217 H218	K211-H215 WeakPolarHBondContact CA-O 3.17Å; K211-H215 CarbonylContact O-C 3.5Å; H215-L217 VanDerWaalsContact CE1-CG 3.42Å; H215-L217 WeakPolarHBondContact CE1-CG 3.11Å; H215-L217 PolarHBondContact ND1-N 2.8Å; H215-L217 VanDerWaalsContact ND1-N 3.17Å; H215-L217 PolarHBondContact O-N 2.77Å; H215-H218 WeakPolarHBondContact O-CB 3.37Å; H215-H218 PolarHBondContact O-N 3.23Å; H215-H218 VanDerWaalsContact O-N 3.13Å
216	P	95	Very high	96.1	Very high	90 Å²	90	36.1 Å²	36.1	58%	0.584	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.9	-178.7	25.9	-37.3	0	0	0	115.2	K211	K211-P216 WeakPolarHBondContact O-CA 3.26Å
217	L	95.6	Very high	96	Very high	87 Å²	87	36.5 Å²	36.5	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.3	-179.5	-56	-177.5	0	0	0	111.9	H215 H219 M222 M279	H215-L217 VanDerWaalsContact CE1-CG 3.42Å; H215-L217 WeakPolarHBondContact CE1-CG 3.11Å; H215-L217 PolarHBondContact ND1-N 2.8Å; H215-L217 VanDerWaalsContact ND1-N 3.17Å; H215-L217 PolarHBondContact O-N 2.77Å; L217-H219 PolarHBondContact O-N 2.89Å; L217-M222 WeakPolarHBondContact O-CG 3.42Å; L217-M279 HydrophobicContact CB-CE 4.24Å; L217-M279 HydrophobicContact CB-SD 3.92Å; L217-M279 HydrophobicContact CD1-SD 4.26Å; L217-M279 HydrophobicContact CD2-CE 4.41Å; L217-M279 HydrophobicContact CD2-SD 3.64Å; L217-M279 HydrophobicContact CG-SD 4.11Å
218	H	97	Very high	95.8	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.028	19%	0.194	C	C	.	.			trans	-77.7	57.6	177.8	-66.9	-177.7	0	0	0	111.6	C210 K211 H215 V223 Y237	C210-H218 CarbonylContact C-O 3.37Å; C210-H218 WeakPolarHBondContact CA-O 3.33Å; C210-H218 HydrophobicContact CB-CB 3.81Å; C210-H218 PolarHBondContact N-O 3.48Å; K211-H218 PolarHBondContact N-O 3.18Å; H215-H218 WeakPolarHBondContact O-CB 3.37Å; H215-H218 PolarHBondContact O-N 3.23Å; H215-H218 VanDerWaalsContact O-N 3.13Å; H218-V223 HydrophobicContact CB-CG2 3.91Å; H218-Y237 AromaticContact CE1-CD1 3.79Å; H218-Y237 AromaticContact CE1-CG 3.93Å; H218-Y237 AromaticContact NE2-CD1 3.61Å; H218-Y237 AromaticContact NE2-CD2 3.7Å; H218-Y237 AromaticContact NE2-CE1 3.62Å; H218-Y237 AromaticContact NE2-CE2 3.72Å; H218-Y237 AromaticContact NE2-CG 3.64Å; H218-Y237 AromaticContact NE2-CZ 3.68Å
219	H	98.1	Very high	95.7	Very high	45 Å²	45	37.1 Å²	37.1	21%	0.208	20%	0.199	C	C	.	.			trans	-68.3	153.5	168.9	-63.8	174.9	0	0	0	109.9	D209 L217 V221 M222 V223 M279 C280	D209-H219 IonicContact OD2-CD2 2.71Å; L217-H219 PolarHBondContact O-N 2.89Å; H219-V221 PolarHBondContact O-N 3.28Å; H219-M222 HydrophobicContact CB-CG 4.39Å; H219-M222 WeakPolarHBondContact O-CB 3.29Å; H219-M222 PolarHBondContact O-N 3.15Å; H219-V223 WeakPolarHBondContact O-CG2 3.37Å; H219-V223 PolarHBondContact O-N 2.89Å; H219-M279 HydrophobicContact CB-CE 4.38Å; H219-M279 VanDerWaalsContact ND1-CE 3.35Å; H219-M279 WeakPolarHBondContact ND1-CE 3.19Å; H219-C280 VanDerWaalsContact CB-SG 3.55Å; H219-C280 PolarHBondContact ND1-SG 3.47Å; H219-C280 VanDerWaalsContact ND1-SG 3.4Å
220	A	98.3	Very high	95.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-49	-41.5	-177.1	0	0	0	0	0	113.4	V191 A193 A207 C224	V191-A220 HydrophobicContact CB-CB 4.33Å; V191-A220 HydrophobicContact CG1-CB 3.89Å; A193-A220 HydrophobicContact CB-CB 3.84Å; A207-A220 WeakPolarHBondContact CB-O 3.39Å; A220-C224 WeakPolarHBondContact O-CB 3.33Å; A220-C224 PolarHBondContact O-N 2.86Å
221	V	98.5	Very high	95	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-64.2	-45.6	177.3	178.7	0	0	0	0	112.1	H219 C224 I225 L270 V272 P276 C280 L284	H219-V221 PolarHBondContact O-N 3.28Å; V221-C224 PolarHBondContact O-N 2.94Å; V221-I225 HydrophobicContact CG1-CD1 4.02Å; V221-I225 WeakPolarHBondContact O-CG1 3.4Å; V221-I225 PolarHBondContact O-N 3.05Å; V221-L270 HydrophobicContact CG1-CD2 4.01Å; V221-L270 HydrophobicContact CG2-CD2 4.05Å; V221-V272 HydrophobicContact CG2-CG2 3.93Å; V221-P276 HydrophobicContact CG2-CB 4.4Å; V221-P276 HydrophobicContact CG2-CG 4.01Å; V221-C280 HydrophobicContact CB-CB 3.92Å; V221-C280 HydrophobicContact CG1-CB 4.02Å; V221-C280 HydrophobicContact CG2-CB 4.26Å; V221-L284 HydrophobicContact CG1-CD1 3.88Å; V221-L284 HydrophobicContact CG1-CD2 4.01Å; V221-L284 HydrophobicContact CG1-CG 3.88Å
222	M	98.4	Very high	94.9	Very high	54 Å²	54	38.8 Å²	38.8	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-63.7	-43.8	179.6	-63.1	-54.3	-62.2	0	0	111.1	L217 H219 C224 I225 D226 M279 A283	L217-M222 WeakPolarHBondContact O-CG 3.42Å; H219-M222 HydrophobicContact CB-CG 4.39Å; H219-M222 WeakPolarHBondContact O-CB 3.29Å; H219-M222 PolarHBondContact O-N 3.15Å; M222-C224 VanDerWaalsContact C-N 3.3Å; M222-C224 PolarHBondContact O-N 3.41Å; M222-I225 PolarHBondContact O-N 2.79Å; M222-D226 WeakPolarHBondContact O-CB 3.33Å; M222-D226 PolarHBondContact O-N 2.94Å; M222-M279 HydrophobicContact CG-CE 3.61Å; M222-M279 HydrophobicContact SD-CE 4.26Å; M222-A283 HydrophobicContact CE-CB 3.86Å; M222-A283 HydrophobicContact SD-CB 3.38Å; M222-A283 WeakPolarHBondContact SD-CB 3.49Å
223	V	98.3	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-41.5	175.7	176.9	0	0	0	0	110.5	A207 C210 H218 H219 D226 L227 Y239 C245	A207-V223 HydrophobicContact CB-CB 3.92Å; A207-V223 HydrophobicContact CB-CG1 3.67Å; C210-V223 HydrophobicContact CB-CG2 4.24Å; H218-V223 HydrophobicContact CB-CG2 3.91Å; H219-V223 WeakPolarHBondContact O-CG2 3.37Å; H219-V223 PolarHBondContact O-N 2.89Å; V223-D226 PolarHBondContact O-N 3.37Å; V223-L227 HydrophobicContact CG1-CD1 4.09Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CB 3.25Å; V223-L227 VanDerWaalsContact O-CG 3.25Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 2.89Å; V223-Y239 HydrophobicContact CB-CE1 4.27Å; V223-Y239 HydrophobicContact CG1-CD1 3.94Å; V223-Y239 HydrophobicContact CG1-CD2 4.16Å; V223-Y239 HydrophobicContact CG1-CE1 3.76Å; V223-Y239 HydrophobicContact CG1-CE2 3.96Å; V223-Y239 HydrophobicContact CG1-CG 4.14Å; V223-Y239 HydrophobicContact CG2-CE1 3.81Å; V223-C245 HydrophobicContact CG1-CB 4.37Å
224	C	97.3	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-43.7	177.8	-141.2	0	0	0	0	112.1	A193 I195 A207 A220 V221 M222 L227 V228	A193-C224 HydrophobicContact CB-CB 4.15Å; I195-C224 HydrophobicContact CD1-CB 3.86Å; I195-C224 HydrophobicContact CG1-CB 4.25Å; A207-C224 HydrophobicContact CB-CB 3.83Å; A220-C224 WeakPolarHBondContact O-CB 3.33Å; A220-C224 PolarHBondContact O-N 2.86Å; V221-C224 PolarHBondContact O-N 2.94Å; M222-C224 VanDerWaalsContact C-N 3.3Å; M222-C224 PolarHBondContact O-N 3.41Å; C224-L227 PolarHBondContact O-N 2.94Å; C224-V228 WeakPolarHBondContact O-CG2 3.47Å; C224-V228 PolarHBondContact O-N 3.22Å; C224-V228 VanDerWaalsContact O-N 3.14Å
225	I	98	Very high	94.7	Very high	19 Å²	19	37 Å²	37	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-45.2	175.6	-67.2	168.9	0	0	0	110.7	I195 V221 M222 L227 V228 A229 I264 A283 L284	I195-I225 HydrophobicContact CD1-CG1 4.48Å; V221-I225 HydrophobicContact CG1-CD1 4.02Å; V221-I225 WeakPolarHBondContact O-CG1 3.4Å; V221-I225 PolarHBondContact O-N 3.05Å; M222-I225 PolarHBondContact O-N 2.79Å; I225-L227 PolarHBondContact O-N 3.06Å; I225-V228 PolarHBondContact O-N 3.31Å; I225-A229 PolarHBondContact O-N 2.82Å; I225-I264 HydrophobicContact CG2-CG2 3.93Å; I225-A283 HydrophobicContact CD1-CB 3.92Å; I225-L284 HydrophobicContact CD1-CD2 4.01Å; I225-L284 HydrophobicContact CD1-CG 4.3Å
226	D	97.3	Very high	94.7	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-39.3	179.9	-164.2	67	0	0	0	111.6	M222 V223 V228 A229 C230 G235 A236 Y237 Y239	M222-D226 WeakPolarHBondContact O-CB 3.33Å; M222-D226 PolarHBondContact O-N 2.94Å; V223-D226 PolarHBondContact O-N 3.37Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.34Å; D226-A229 CarbonylContact O-C 3.48Å; D226-A229 WeakPolarHBondContact O-CB 3.4Å; D226-A229 PolarHBondContact O-N 3.32Å; D226-A229 VanDerWaalsContact O-N 3.14Å; D226-C230 PolarHBondContact O-N 3.35Å; D226-C230 PolarHBondContact O-SG 3.02Å; D226-G235 WeakPolarHBondContact OD1-CA 3.29Å; D226-A236 PolarHBondContact OD1-N 3.26Å; D226-Y237 WeakPolarHBondContact OD2-CB 3.32Å; D226-Y237 PolarHBondContact OD2-N 2.79Å; D226-Y239 HydrophobicContact CB-CE2 4Å; D226-Y239 WeakPolarHBondContact CB-OH 3.33Å; D226-Y239 VanDerWaalsContact OD2-CE2 3.28Å; D226-Y239 WeakPolarHBondContact OD2-CE2 3.27Å; D226-Y239 PolarHBondContact OD2-OH 3.42Å
227	L	96.9	Very high	94.6	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-40.4	173.3	-75.5	168.5	0	0	0	112.8	A205 V206 A207 V223 C224 I225 A229 C230 G231 Y239 C245 F247	A205-L227 HydrophobicContact CB-CB 4.08Å; V206-L227 VanDerWaalsContact O-CD1 3.27Å; V206-L227 WeakPolarHBondContact O-CD1 3.36Å; A207-L227 HydrophobicContact CB-CD1 4.15Å; V223-L227 HydrophobicContact CG1-CD1 4.09Å; V223-L227 HydrophobicContact CG1-CG 4.45Å; V223-L227 WeakPolarHBondContact O-CB 3.25Å; V223-L227 VanDerWaalsContact O-CG 3.25Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 2.89Å; C224-L227 PolarHBondContact O-N 2.94Å; I225-L227 PolarHBondContact O-N 3.06Å; L227-A229 VanDerWaalsContact C-N 3.35Å; L227-C230 PolarHBondContact O-N 3.22Å; L227-G231 PolarHBondContact O-N 3.4Å; L227-G231 VanDerWaalsContact O-N 3.12Å; L227-Y239 HydrophobicContact CD2-CD2 3.71Å; L227-Y239 HydrophobicContact CD2-CE2 4.38Å; L227-Y239 HydrophobicContact CG-CD2 3.98Å; L227-Y239 HydrophobicContact CG-CE2 4.24Å; L227-C245 HydrophobicContact CD1-CB 4.19Å; L227-F247 HydrophobicContact CB-CB 4.5Å; L227-F247 WeakPolarHBondContact O-CD2 3.43Å
228	V	95.9	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-43.5	173.5	175.1	0	0	0	0	110.4	I195 I204 A205 C224 I225 D226 G231 Q232 I264 Y268	I195-V228 HydrophobicContact CB-CG2 4.33Å; I195-V228 HydrophobicContact CD1-CG2 3.75Å; I195-V228 HydrophobicContact CG2-CG2 4.17Å; I204-V228 HydrophobicContact CG2-CG2 4.01Å; A205-V228 HydrophobicContact CB-CG2 3.79Å; C224-V228 WeakPolarHBondContact O-CG2 3.47Å; C224-V228 PolarHBondContact O-N 3.22Å; C224-V228 VanDerWaalsContact O-N 3.14Å; I225-V228 PolarHBondContact O-N 3.31Å; D226-V228 VanDerWaalsContact C-N 3.34Å; D226-V228 PolarHBondContact O-N 3.34Å; V228-G231 PolarHBondContact O-N 3.16Å; V228-Q232 WeakPolarHBondContact O-CG 3.44Å; V228-Q232 PolarHBondContact O-N 2.89Å; V228-I264 VanDerWaalsContact CG1-O 3.26Å; V228-I264 WeakPolarHBondContact CG1-O 3.26Å; V228-Y268 HydrophobicContact CG1-CE2 4.38Å
229	A	94.8	Very high	94.2	Very high	15 Å²	15	42.1 Å²	42.1	12%	0.124	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-41.6	177.5	0	0	0	0	0	112.1	I225 D226 L227 G231 Q232 G234	I225-A229 PolarHBondContact O-N 2.82Å; D226-A229 CarbonylContact O-C 3.48Å; D226-A229 WeakPolarHBondContact O-CB 3.4Å; D226-A229 PolarHBondContact O-N 3.32Å; D226-A229 VanDerWaalsContact O-N 3.14Å; L227-A229 VanDerWaalsContact C-N 3.35Å; A229-G231 PolarHBondContact O-N 2.96Å; A229-Q232 CarbonylContact O-C 3.58Å; A229-Q232 WeakPolarHBondContact O-CA 3.4Å; A229-Q232 PolarHBondContact O-N 3.49Å; A229-G234 CarbonylContact O-C 3.56Å; A229-G234 VanDerWaalsContact O-CA 3.28Å; A229-G234 WeakPolarHBondContact O-CA 3.32Å; A229-G234 PolarHBondContact O-N 3.04Å
230	C	91.9	Very high	93.8	Very high	50 Å²	50	47 Å²	47	34%	0.338	27%	0.269	S	S	.	.	H	α-helix	trans	-56.7	-39.7	172.7	-73	0	0	0	0	111.8	D226 L227 Q232 D233	D226-C230 PolarHBondContact O-N 3.35Å; D226-C230 PolarHBondContact O-SG 3.02Å; L227-C230 PolarHBondContact O-N 3.22Å; C230-Q232 PolarHBondContact O-N 3.36Å; C230-D233 PolarHBondContact O-N 3.11Å
231	G	89.1	Confident	93.5	Very high	22 Å²	22	52 Å²	52	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.6	175.7	0	0	0	0	0	115	L227 V228 A229 F247	L227-G231 PolarHBondContact O-N 3.4Å; L227-G231 VanDerWaalsContact O-N 3.12Å; V228-G231 PolarHBondContact O-N 3.16Å; A229-G231 PolarHBondContact O-N 2.96Å; G231-F247 VanDerWaalsContact CA-CE1 3.46Å
232	Q	90.4	Very high	93.4	Very high	39 Å²	39	52.1 Å²	52.1	18%	0.182	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	31.8	179.7	-61.5	174	1.9	0	0	111.2	V228 A229 C230 G234 L261 P262 I264	V228-Q232 WeakPolarHBondContact O-CG 3.44Å; V228-Q232 PolarHBondContact O-N 2.89Å; A229-Q232 CarbonylContact O-C 3.58Å; A229-Q232 WeakPolarHBondContact O-CA 3.4Å; A229-Q232 PolarHBondContact O-N 3.49Å; C230-Q232 PolarHBondContact O-N 3.36Å; Q232-G234 PolarHBondContact O-N 2.79Å; Q232-G234 VanDerWaalsContact O-N 3.12Å; Q232-L261 HydrophobicContact CB-CD1 4.28Å; Q232-L261 HydrophobicContact CG-CB 4.21Å; Q232-L261 HydrophobicContact CG-CD1 4.08Å; Q232-P262 PolarHBondContact NE2-O 2.87Å; Q232-P262 VanDerWaalsContact NE2-O 3.11Å; Q232-P262 PolarHBondContact OE1-O 2.86Å; Q232-I264 PolarHBondContact NE2-O 3.33Å
233	D	88.2	Confident	93.1	Very high	163 Å²	163	54.9 Å²	54.9	87%	0.872	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.1	-179.1	-57.3	-49.7	0	0	0	114.9	C230	C230-D233 PolarHBondContact O-N 3.11Å
234	G	88.4	Confident	93	Very high	46 Å²	46	55.9 Å²	55.9	47%	0.474	32%	0.321	S	S	.	.			trans	-111.4	-135.5	172	0	0	0	0	0	111.8	A229 Q232	A229-G234 CarbonylContact O-C 3.56Å; A229-G234 VanDerWaalsContact O-CA 3.28Å; A229-G234 WeakPolarHBondContact O-CA 3.32Å; A229-G234 PolarHBondContact O-N 3.04Å; Q232-G234 PolarHBondContact O-N 2.79Å; Q232-G234 VanDerWaalsContact O-N 3.12Å
235	G	89.3	Confident	93	Very high	38 Å²	38	56.4 Å²	56.4	39%	0.392	33%	0.325	S	S	.	.			trans	75.9	153.1	-179.9	0	0	0	0	0	113.7	D226	D226-G235 WeakPolarHBondContact OD1-CA 3.29Å
236	A	92.3	Very high	92.9	Very high	73 Å²	73	61.1 Å²	61.1	60%	0.603	34%	0.341	S	S	*	.	S	Bend	trans	-113.1	-25	-176.1	0	0	0	0	0	112.8	D226	D226-A236 PolarHBondContact OD1-N 3.26Å
237	Y	93.4	Very high	92.8	Very high	104 Å²	104	63 Å²	63	41%	0.408	35%	0.348	S	S	.	.			trans	-125.2	164.1	-169	-58.1	-78.6	0	0	0	113.4	H218 D226	H218-Y237 AromaticContact CE1-CD1 3.79Å; H218-Y237 AromaticContact CE1-CG 3.93Å; H218-Y237 AromaticContact NE2-CD1 3.61Å; H218-Y237 AromaticContact NE2-CD2 3.7Å; H218-Y237 AromaticContact NE2-CE1 3.62Å; H218-Y237 AromaticContact NE2-CE2 3.72Å; H218-Y237 AromaticContact NE2-CG 3.64Å; H218-Y237 AromaticContact NE2-CZ 3.68Å; D226-Y237 WeakPolarHBondContact OD2-CB 3.32Å; D226-Y237 PolarHBondContact OD2-N 2.79Å
238	K	91.3	Very high	92.4	Very high	163 Å²	163	63.8 Å²	63.8	71%	0.709	36%	0.355	S	S	*	.			trans	-119.4	129.8	-178.9	-74.3	-166.4	179.4	-170.3	0	109.6	E240	K238-E240 VanDerWaalsContact CB-OE2 3.32Å; K238-E240 WeakPolarHBondContact CB-OE2 3.19Å
239	Y	92.7	Very high	91	Very high	13 Å²	13	67.6 Å²	67.6	5%	0.051	38%	0.381	C	S	.	.			trans	-121	19.2	-170.2	-57.5	-69.4	0	0	0	113.3	V223 D226 L227 K241 Y242	V223-Y239 HydrophobicContact CB-CE1 4.27Å; V223-Y239 HydrophobicContact CG1-CD1 3.94Å; V223-Y239 HydrophobicContact CG1-CD2 4.16Å; V223-Y239 HydrophobicContact CG1-CE1 3.76Å; V223-Y239 HydrophobicContact CG1-CE2 3.96Å; V223-Y239 HydrophobicContact CG1-CG 4.14Å; V223-Y239 HydrophobicContact CG2-CE1 3.81Å; D226-Y239 HydrophobicContact CB-CE2 4Å; D226-Y239 WeakPolarHBondContact CB-OH 3.33Å; D226-Y239 VanDerWaalsContact OD2-CE2 3.28Å; D226-Y239 WeakPolarHBondContact OD2-CE2 3.27Å; D226-Y239 PolarHBondContact OD2-OH 3.42Å; L227-Y239 HydrophobicContact CD2-CD2 3.71Å; L227-Y239 HydrophobicContact CD2-CE2 4.38Å; L227-Y239 HydrophobicContact CG-CD2 3.98Å; L227-Y239 HydrophobicContact CG-CE2 4.24Å; Y239-K241 PolarHBondContact O-N 3.36Å; Y239-K241 VanDerWaalsContact O-N 3.1Å; Y239-Y242 HydrophobicContact CD1-CD2 4.1Å; Y239-Y242 HydrophobicContact CD1-CE2 4.41Å; Y239-Y242 WeakPolarHBondContact O-CB 3.36Å; Y239-Y242 PolarHBondContact O-N 3.2Å
240	E	90.1	Very high	89.3	Confident	147 Å²	147	68.5 Å²	68.5	69%	0.687	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24	-175.1	-53.7	82.3	178.3	0	0	113	K238 Y242	K238-E240 VanDerWaalsContact CB-OE2 3.32Å; K238-E240 WeakPolarHBondContact CB-OE2 3.19Å; E240-Y242 PolarHBondContact O-N 2.82Å
241	K	92.1	Very high	87.2	Confident	106 Å²	106	72.9 Å²	72.9	46%	0.461	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.4	172.2	58.1	167.1	162.2	162.6	0	114.1	S214 Y239	S214-K241 PolarHBondContact OG-NZ 2.95Å; Y239-K241 PolarHBondContact O-N 3.36Å; Y239-K241 VanDerWaalsContact O-N 3.1Å
242	Y	95.5	Very high	85.2	Confident	9 Å²	9	75.8 Å²	75.8	4%	0.035	42%	0.423	C	S	.	.			trans	-121.8	88.4	-176.3	-56.6	-58.2	0	0	0	110.2	L186 M188 H208 C210 G213 Y239 E240 A244 C245	L186-Y242 HydrophobicContact CD1-CD1 3.98Å; M188-Y242 HydrophobicContact CE-CE1 4.21Å; H208-Y242 AromaticContact CE1-CD1 3.78Å; C210-Y242 HydrophobicContact CB-CD2 4.27Å; C210-Y242 HydrophobicContact CB-CE2 3.69Å; C210-Y242 WeakPolarHBondContact SG-CD2 3.41Å; C210-Y242 VanDerWaalsContact SG-CE2 3.51Å; G213-Y242 WeakPolarHBondContact CA-OH 3.39Å; Y239-Y242 HydrophobicContact CD1-CD2 4.1Å; Y239-Y242 HydrophobicContact CD1-CE2 4.41Å; Y239-Y242 WeakPolarHBondContact O-CB 3.36Å; Y239-Y242 PolarHBondContact O-N 3.2Å; E240-Y242 PolarHBondContact O-N 2.82Å; Y242-A244 PolarHBondContact O-N 2.78Å; Y242-C245 WeakPolarHBondContact O-CB 3.37Å; Y242-C245 PolarHBondContact O-N 3.18Å
243	P	93.1	Very high	83	Confident	111 Å²	111	78.5 Å²	78.5	72%	0.721	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.8	-171.4	-26.9	35.1	0	0	0	115.2
244	A	95.8	Very high	80.6	Confident	21 Å²	21	75.8 Å²	75.8	17%	0.174	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.1	176.6	0	0	0	0	0	113.2	Y242 R246	Y242-A244 PolarHBondContact O-N 2.78Å; A244-R246 PolarHBondContact O-N 3.44Å
245	C	97.2	Very high	78.2	Confident	12 Å²	12	79.1 Å²	79.1	8%	0.081	44%	0.442	C	S	.	.			trans	-83.5	109.5	175.7	-66.7	0	0	0	0	109.7	V206 H208 V223 L227 Y242	V206-C245 CarbonylContact O-C 3.58Å; V206-C245 VanDerWaalsContact O-CA 3.26Å; V206-C245 WeakPolarHBondContact O-CA 3.49Å; H208-C245 VanDerWaalsContact CD2-SG 3.56Å; V223-C245 HydrophobicContact CG1-CB 4.37Å; L227-C245 HydrophobicContact CD1-CB 4.19Å; Y242-C245 WeakPolarHBondContact O-CB 3.37Å; Y242-C245 PolarHBondContact O-N 3.18Å
246	R	95.9	Very high	75.8	Confident	117 Å²	117	81.4 Å²	81.4	44%	0.442	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	147.6	-175.1	64.5	-176.9	-175.5	83.3	1.8	112.8	A205 V206 A244 S248	A205-R246 WeakPolarHBondContact CA-O 3.29Å; V206-R246 HydrophobicContact CB-CG 4.24Å; V206-R246 PolarHBondContact N-O 2.8Å; V206-R246 PolarHBondContact O-N 2.84Å; A244-R246 PolarHBondContact O-N 3.44Å; R246-S248 PolarHBondContact NH1-OG 3.47Å
247	F	94.3	Very high	73.5	Confident	60 Å²	60	85.9 Å²	85.9	26%	0.263	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.7	164.3	176.3	-104.9	0	0	0	109.2	I204 L227 G231 C249	I204-F247 HydrophobicContact CG2-CD2 4.12Å; I204-F247 HydrophobicContact CG2-CE2 3.58Å; I204-F247 CarbonylContact O-C 3.56Å; I204-F247 VanDerWaalsContact O-CD2 3.29Å; I204-F247 WeakPolarHBondContact O-CD2 3.49Å; L227-F247 HydrophobicContact CB-CB 4.5Å; L227-F247 WeakPolarHBondContact O-CD2 3.43Å; G231-F247 VanDerWaalsContact CA-CE1 3.46Å; F247-C249 HydrophobicContact CE1-CB 4.45Å
248	S	89.6	Confident	71.2	Confident	30 Å²	30	90.6 Å²	90.6	21%	0.21	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-97.3	119	170.1	-50.4	0	0	0	0	108.1	I203 I204 R246 S250	I203-S248 WeakPolarHBondContact O-CB 3.3Å; I203-S248 PolarHBondContact O-OG 2.56Å; I204-S248 PolarHBondContact O-N 2.91Å; R246-S248 PolarHBondContact NH1-OG 3.47Å; S248-S250 PolarHBondContact O-N 3.44Å
249	C	66.9	Low	69.5	Low	81 Å²	81	88.6 Å²	88.6	55%	0.547	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64.7	122.8	173.2	-165.8	0	0	0	0	109.3	F247 N251	F247-C249 HydrophobicContact CE1-CB 4.45Å; C249-N251 PolarHBondContact O-N 2.91Å
250	S	58.8	Low	68	Low	33 Å²	33	91.5 Å²	91.5	23%	0.231	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-72.5	124.6	167.7	53.9	0	0	0	0	108.2	S248 S252 V253	S248-S250 PolarHBondContact O-N 3.44Å; S250-S252 WeakPolarHBondContact CB-OG 3.22Å; S250-S252 PolarHBondContact O-N 2.9Å; S250-S252 PolarHBondContact OG-OG 2.91Å; S250-V253 WeakPolarHBondContact O-CG2 3.1Å; S250-V253 PolarHBondContact O-N 3.06Å; S250-V253 VanDerWaalsContact O-N 3.11Å
251	N	47	Very low	67	Low	143 Å²	143	88.4 Å²	88.4	77%	0.765	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-57.8	1.3	177.4	-74.9	-16.5	0	0	0	114.8	C249 V253 C254	C249-N251 PolarHBondContact O-N 2.91Å; N251-V253 PolarHBondContact O-N 3.48Å; N251-C254 PolarHBondContact O-SG 3.1Å
252	S	47.1	Very low	66.4	Low	82 Å²	82	85.2 Å²	85.2	57%	0.573	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-69.3	-7.2	166.8	44.7	0	0	0	0	113.9	S250 C254	S250-S252 WeakPolarHBondContact CB-OG 3.22Å; S250-S252 PolarHBondContact O-N 2.9Å; S250-S252 PolarHBondContact OG-OG 2.91Å; S252-C254 VanDerWaalsContact C-N 3.31Å; S252-C254 PolarHBondContact O-N 3.26Å
253	V	44.1	Very low	65.9	Low	96 Å²	96	91 Å²	91	58%	0.582	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-77.4	-12.1	178.3	178.9	0	0	0	0	113	S250 N251	S250-V253 WeakPolarHBondContact O-CG2 3.1Å; S250-V253 PolarHBondContact O-N 3.06Å; S250-V253 VanDerWaalsContact O-N 3.11Å; N251-V253 PolarHBondContact O-N 3.48Å
254	C	38.8	Very low	65.8	Low	107 Å²	107	87.5 Å²	87.5	72%	0.723	51%	0.508	S	S	*	.	S	Bend	trans	-111.9	2.2	-175.4	58.6	0	0	0	0	116.6	N251 S252	N251-C254 PolarHBondContact O-SG 3.1Å; S252-C254 VanDerWaalsContact C-N 3.31Å; S252-C254 PolarHBondContact O-N 3.26Å
255	D	36.5	Very low	65.8	Low	116 Å²	116	86.5 Å²	86.5	62%	0.62	50%	0.499	S	S	*	.	S	Bend	trans	-117.2	107.9	173.7	-154.7	27.2	0	0	0	108.3	K257	D255-K257 PolarHBondContact O-N 3.27Å
256	G	39.8	Very low	65.7	Low	86 Å²	86	88.5 Å²	88.5	89%	0.887	51%	0.511	S	S	*	.			trans	-64.8	52.9	-168	0	0	0	0	0	116.1
257	K	43.1	Very low	65.6	Low	166 Å²	166	84.4 Å²	84.4	72%	0.722	51%	0.506	S	S	*	.			trans	-101.1	123.2	168.3	-76.3	-179.7	178.8	169.1	0	109.1	D255 T259	D255-K257 PolarHBondContact O-N 3.27Å; K257-T259 PolarHBondContact O-N 3.06Å
258	E	45	Very low	65.7	Low	204 Å²	204	82.5 Å²	82.5	95%	0.953	50%	0.497	S	S	*	.			trans	-62.2	63.7	178.1	-63.2	177.3	139.2	0	0	113.7
259	T	55.4	Low	66.2	Low	121 Å²	121	81.2 Å²	81.2	74%	0.742	49%	0.487	S	S	*	.			trans	-106	95.7	155.6	55.4	0	0	0	0	106.5	K257	K257-T259 PolarHBondContact O-N 3.06Å
260	G	62.4	Low	67.7	Low	73 Å²	73	77.4 Å²	77.4	75%	0.753	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-51.3	144.9	180	0	0	0	0	0	111.8
261	L	68.8	Low	69.6	Low	82 Å²	82	76.1 Å²	76.1	43%	0.429	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-52.8	143.1	175.6	-68.2	169.7	0	0	0	109.9	Q232	Q232-L261 HydrophobicContact CB-CD1 4.28Å; Q232-L261 HydrophobicContact CG-CB 4.21Å; Q232-L261 HydrophobicContact CG-CD1 4.08Å
262	P	79	Confident	72.1	Confident	40 Å²	40	69.3 Å²	69.3	26%	0.26	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-62.4	151.2	178.8	27.1	-32.7	0	0	0	110.1	Q232 I264 Y268	Q232-P262 PolarHBondContact NE2-O 2.87Å; Q232-P262 VanDerWaalsContact NE2-O 3.11Å; Q232-P262 PolarHBondContact OE1-O 2.86Å; P262-I264 PolarHBondContact O-N 3.44Å; P262-Y268 HydrophobicContact CG-CE1 4.41Å; P262-Y268 HydrophobicContact CG-CE2 4.19Å; P262-Y268 WeakPolarHBondContact CG-OH 3.38Å
263	Y	84.7	Confident	74.5	Confident	129 Å²	129	65.5 Å²	65.5	51%	0.506	39%	0.389	S	S	.	.	S	Bend	trans	-65.4	103.6	173.7	176.6	-96.3	0	0	0	110.1	C265 T266	Y263-C265 PolarHBondContact O-N 2.83Å; Y263-C265 VanDerWaalsContact O-N 3.09Å; Y263-T266 VanDerWaalsContact O-CB 3.3Å; Y263-T266 WeakPolarHBondContact O-CB 3.49Å; Y263-T266 PolarHBondContact O-N 2.85Å; Y263-T266 PolarHBondContact O-OG1 2.92Å
264	I	91.3	Very high	77.1	Confident	39 Å²	39	63.5 Å²	63.5	20%	0.2	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-110.8	179	-45.8	179.2	0	0	0	111.1	I225 V228 Q232 P262	I225-I264 HydrophobicContact CG2-CG2 3.93Å; V228-I264 VanDerWaalsContact CG1-O 3.26Å; V228-I264 WeakPolarHBondContact CG1-O 3.26Å; Q232-I264 PolarHBondContact NE2-O 3.33Å; P262-I264 PolarHBondContact O-N 3.44Å
265	C	95.8	Very high	79.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	16.6	-176	-54	0	0	0	0	113.1	Y263 G267 Y268 S287 I289	Y263-C265 PolarHBondContact O-N 2.83Å; Y263-C265 VanDerWaalsContact O-N 3.09Å; C265-G267 PolarHBondContact O-N 3.26Å; C265-G267 VanDerWaalsContact O-N 3.11Å; C265-Y268 PolarHBondContact O-N 3.41Å; C265-S287 CarbonylContact C-O 3.58Å; C265-S287 WeakPolarHBondContact CA-O 3.19Å; C265-S287 WeakPolarHBondContact CB-O 3.41Å; C265-S287 PolarHBondContact N-O 3.41Å; C265-S287 VanDerWaalsContact N-O 3.13Å; C265-I289 HydrophobicContact CB-CD1 3.75Å
266	T	95.4	Very high	82.8	Confident	53 Å²	53	53.3 Å²	53.3	33%	0.325	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	118.4	-177.1	-60.3	0	0	0	0	110.9	Y263 Y268 S287 R288	Y263-T266 VanDerWaalsContact O-CB 3.3Å; Y263-T266 WeakPolarHBondContact O-CB 3.49Å; Y263-T266 PolarHBondContact O-N 2.85Å; Y263-T266 PolarHBondContact O-OG1 2.92Å; T266-Y268 VanDerWaalsContact C-N 3.32Å; T266-S287 PolarHBondContact N-O 2.9Å; T266-R288 WeakPolarHBondContact CA-O 3.17Å
267	G	93.7	Very high	85.6	Confident	32 Å²	32	50.7 Å²	50.7	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	2.1	178.3	0	0	0	0	0	115.2	P198 C265	P198-G267 VanDerWaalsContact CD-O 3.26Å; P198-G267 WeakPolarHBondContact CD-O 3.38Å; P198-G267 WeakPolarHBondContact CG-O 3.28Å; C265-G267 PolarHBondContact O-N 3.26Å; C265-G267 VanDerWaalsContact O-N 3.11Å
268	Y	97.6	Very high	88.2	Confident	20 Å²	20	45.8 Å²	45.8	8%	0.078	26%	0.261	C	S	.	.			trans	-93.6	159.4	177.5	-64.1	-20.7	0	0	0	112.7	I195 V196 D197 I204 V228 P262 C265 T266 I289 S290	I195-Y268 HydrophobicContact CG2-CD2 3.77Å; I195-Y268 HydrophobicContact CG2-CG 4.08Å; V196-Y268 WeakPolarHBondContact O-CA 3.28Å; V196-Y268 WeakPolarHBondContact O-CB 3.44Å; D197-Y268 HydrophobicContact CB-CD1 3.82Å; D197-Y268 HydrophobicContact CB-CE1 3.57Å; I204-Y268 HydrophobicContact CB-CE2 4.46Å; I204-Y268 HydrophobicContact CG1-CD2 4.34Å; I204-Y268 HydrophobicContact CG1-CE1 4.39Å; I204-Y268 HydrophobicContact CG1-CE2 4.02Å; I204-Y268 HydrophobicContact CG2-CE2 4Å; V228-Y268 HydrophobicContact CG1-CE2 4.38Å; P262-Y268 HydrophobicContact CG-CE1 4.41Å; P262-Y268 HydrophobicContact CG-CE2 4.19Å; P262-Y268 WeakPolarHBondContact CG-OH 3.38Å; C265-Y268 PolarHBondContact O-N 3.41Å; T266-Y268 VanDerWaalsContact C-N 3.32Å; Y268-I289 WeakPolarHBondContact O-CD1 3.21Å; Y268-I289 WeakPolarHBondContact O-CG1 3.28Å; Y268-S290 VanDerWaalsContact O-CB 3.25Å; Y268-S290 WeakPolarHBondContact O-CB 3.5Å; Y268-S290 PolarHBondContact O-N 3.11Å
269	D	98.6	Very high	90.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.6	174.5	-64.8	-20.7	0	0	0	110.8	I195 V196 Y271 R291 F293	I195-D269 CarbonylContact C-O 3Å; I195-D269 WeakPolarHBondContact CA-O 3.32Å; V196-D269 HydrophobicContact CG2-CB 3.87Å; V196-D269 PolarHBondContact N-O 2.91Å; V196-D269 PolarHBondContact O-N 3.31Å; D269-Y271 HydrophobicContact CB-CE2 4.13Å; D269-R291 CarbonylContact C-O 3.4Å; D269-R291 WeakPolarHBondContact CA-O 3.36Å; D269-R291 VanDerWaalsContact CG-NE 3.32Å; D269-R291 VanDerWaalsContact OD1-CB 3.29Å; D269-R291 WeakPolarHBondContact OD1-CB 3.26Å; D269-R291 WeakPolarHBondContact OD1-CG 3.48Å; D269-R291 IonicContact OD1-CZ 3.16Å; D269-R291 PolarHBondContact OD1-N 2.78Å; D269-R291 IonicContact OD1-NE 2.77Å; D269-R291 PolarHBondContact OD1-NE 3.04Å; D269-R291 IonicContact OD1-NH2 2.8Å; D269-R291 IonicContact OD2-CZ 2.79Å; D269-R291 IonicContact OD2-NE 2.68Å; D269-R291 PolarHBondContact OD2-NE 3.45Å; D269-R291 IonicContact OD2-NH2 3.6Å; D269-R291 PolarHBondContact OD2-NH2 3.26Å; D269-F293 HydrophobicContact CB-CE2 4.19Å
270	L	98.8	Very high	92.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.1	174	173.9	70.5	0	0	0	110.3	A193 V194 I195 V221 V272 L284 I289 R291 V292 F293	A193-L270 HydrophobicContact CB-CD1 4.08Å; V194-L270 CarbonylContact O-C 3.05Å; V194-L270 WeakPolarHBondContact O-CA 3.46Å; I195-L270 HydrophobicContact CG1-CD1 3.8Å; V221-L270 HydrophobicContact CG1-CD2 4.01Å; V221-L270 HydrophobicContact CG2-CD2 4.05Å; L270-V272 HydrophobicContact CD2-CB 4.45Å; L270-V272 HydrophobicContact CD2-CG1 4.37Å; L270-V272 HydrophobicContact CG-CB 4.38Å; L270-L284 HydrophobicContact CD2-CD1 3.66Å; L270-L284 HydrophobicContact CD2-CD2 3.74Å; L270-L284 HydrophobicContact CD2-CG 4.33Å; L270-I289 HydrophobicContact CB-CD1 4.12Å; L270-I289 HydrophobicContact CB-CG1 4.18Å; L270-R291 PolarHBondContact N-O 2.79Å; L270-V292 HydrophobicContact CB-CG1 4.32Å; L270-V292 HydrophobicContact CB-CG2 4.28Å; L270-V292 HydrophobicContact CD2-CG1 3.91Å; L270-V292 HydrophobicContact CD2-CG2 4.39Å; L270-V292 HydrophobicContact CG-CG1 4.28Å; L270-V292 CarbonylContact O-C 3.4Å; L270-V292 WeakPolarHBondContact O-CA 3.49Å; L270-F293 PolarHBondContact O-N 3.4Å
271	Y	98.8	Very high	94.4	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.3	166.3	-67.4	-94.7	0	0	0	109	M169 Y172 M173 A193 V194 V196 D269 F293	M169-Y271 HydrophobicContact CB-CE1 3.85Å; M169-Y271 HydrophobicContact CG-CE1 3.74Å; M169-Y271 WeakPolarHBondContact CG-OH 3.03Å; Y172-Y271 HydrophobicContact CD2-CD2 4.01Å; Y172-Y271 HydrophobicContact CD2-CE1 4.32Å; Y172-Y271 AromaticContact CD2-CE2 3.47Å; Y172-Y271 HydrophobicContact CD2-CE2 3.47Å; Y172-Y271 VanDerWaalsContact CD2-CE2 3.47Å; Y172-Y271 AromaticContact CD2-CZ 3.65Å; Y172-Y271 HydrophobicContact CE2-CE2 4.25Å; Y172-Y271 HydrophobicContact CG-CD2 4.18Å; Y172-Y271 HydrophobicContact CG-CE2 4.11Å; M173-Y271 HydrophobicContact CE-CD1 4.43Å; A193-Y271 CarbonylContact C-O 3.57Å; A193-Y271 VanDerWaalsContact CA-O 3.29Å; A193-Y271 WeakPolarHBondContact CA-O 3.27Å; V194-Y271 PolarHBondContact N-O 3.33Å; V194-Y271 PolarHBondContact O-N 3.13Å; V196-Y271 HydrophobicContact CG1-CD2 4.3Å; V196-Y271 HydrophobicContact CG1-CE2 4.49Å; V196-Y271 HydrophobicContact CG2-CD2 4.12Å; V196-Y271 HydrophobicContact CG2-CE2 3.64Å; D269-Y271 HydrophobicContact CB-CE2 4.13Å; Y271-F293 CarbonylContact C-O 3.58Å; Y271-F293 WeakPolarHBondContact CA-O 3.44Å; Y271-F293 HydrophobicContact CD1-CB 3.53Å; Y271-F293 HydrophobicContact CD1-CD2 4.15Å; Y271-F293 AromaticContact CD1-CG 3.99Å; Y271-F293 HydrophobicContact CD1-CG 3.99Å; Y271-F293 HydrophobicContact CD2-CD2 4.49Å; Y271-F293 HydrophobicContact CE1-CB 3.6Å; Y271-F293 HydrophobicContact CE1-CD1 4.19Å; Y271-F293 AromaticContact CE1-CD2 3.58Å; Y271-F293 HydrophobicContact CE1-CD2 3.58Å; Y271-F293 HydrophobicContact CE1-CE2 4.31Å; Y271-F293 AromaticContact CE1-CG 3.52Å; Y271-F293 HydrophobicContact CE1-CG 3.52Å; Y271-F293 AromaticContact CE2-CD2 3.98Å; Y271-F293 HydrophobicContact CE2-CD2 3.98Å; Y271-F293 HydrophobicContact CE2-CE2 4.42Å; Y271-F293 HydrophobicContact CG-CB 4.24Å; Y271-F293 AromaticContact CZ-CD2 3.49Å; Y271-F293 VanDerWaalsContact CZ-CD2 3.49Å; Y271-F293 AromaticContact CZ-CE2 3.88Å; Y271-F293 AromaticContact CZ-CG 3.94Å
272	V	98.8	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.4	-175.8	62.8	0	0	0	0	111.5	M173 V191 G192 A193 V221 L270 R274 P276 V292 F293 Y294 G295	M173-V272 WeakPolarHBondContact CE-O 3.46Å; V191-V272 HydrophobicContact CG1-CG2 4.3Å; G192-V272 WeakPolarHBondContact O-CA 3.44Å; G192-V272 WeakPolarHBondContact O-CG2 3.24Å; A193-V272 HydrophobicContact CB-CB 4.48Å; A193-V272 HydrophobicContact CB-CG2 4.24Å; V221-V272 HydrophobicContact CG2-CG2 3.93Å; L270-V272 HydrophobicContact CD2-CB 4.45Å; L270-V272 HydrophobicContact CD2-CG1 4.37Å; L270-V272 HydrophobicContact CG-CB 4.38Å; V272-R274 VanDerWaalsContact C-N 3.28Å; V272-R274 VanDerWaalsContact CG2-O 3.32Å; V272-R274 WeakPolarHBondContact CG2-O 3.41Å; V272-R274 PolarHBondContact O-N 3.34Å; V272-P276 HydrophobicContact CG1-CG 3.88Å; V272-V292 HydrophobicContact CG1-CG1 4.31Å; V272-F293 PolarHBondContact N-O 3.22Å; V272-Y294 WeakPolarHBondContact O-CA 3.42Å; V272-G295 PolarHBondContact O-N 3.32Å
273	T	98.4	Very high	96.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-30	-174.1	59.2	0	0	0	0	112.8	M173 A176 V177 A180 G192 A296 C330 L333	M173-T273 HydrophobicContact SD-CG2 4.11Å; A176-T273 HydrophobicContact CB-CG2 3.84Å; V177-T273 HydrophobicContact CB-CG2 4.47Å; V177-T273 HydrophobicContact CG2-CG2 3.8Å; A180-T273 HydrophobicContact CB-CG2 4.4Å; G192-T273 PolarHBondContact N-OG1 3.29Å; G192-T273 PolarHBondContact O-N 2.81Å; T273-A296 PolarHBondContact O-N 2.98Å; T273-C330 VanDerWaalsContact O-CB 3.26Å; T273-C330 WeakPolarHBondContact O-CB 3.36Å; T273-L333 HydrophobicContact CG2-CD1 3.89Å
274	R	97.8	Very high	97.3	Very high	53 Å²	53	21.2 Å²	21.2	20%	0.2	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.6	-179	-168.8	177.2	-63	175.8	4.4	110.7	V191 V272 P276 A296 T298 C334	V191-R274 HydrophobicContact CG1-CB 4Å; V191-R274 HydrophobicContact CG2-CB 4.16Å; V272-R274 VanDerWaalsContact C-N 3.28Å; V272-R274 VanDerWaalsContact CG2-O 3.32Å; V272-R274 WeakPolarHBondContact CG2-O 3.41Å; V272-R274 PolarHBondContact O-N 3.34Å; R274-P276 WeakPolarHBondContact O-CD 3.44Å; R274-A296 CarbonylContact C-O 3.53Å; R274-A296 WeakPolarHBondContact CA-O 3.26Å; R274-T298 HydrophobicContact CG-CG2 4.44Å; R274-C334 PolarHBondContact NE-SG 3.23Å; R274-C334 VanDerWaalsContact NE-SG 3.36Å; R274-C334 PolarHBondContact NH2-SG 3.26Å
275	E	98.2	Very high	97.6	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.023	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-50.8	125.1	175.5	-174.9	-175.3	-178.6	0	0	110.9	Y294 A296 T298 G301 A302 F303 G304 S305	E275-Y294 HydrophobicContact CB-CD2 3.76Å; E275-Y294 HydrophobicContact CB-CE2 3.81Å; E275-Y294 HydrophobicContact CB-CG 4.23Å; E275-Y294 HydrophobicContact CG-CD2 4.34Å; E275-Y294 HydrophobicContact CG-CE1 4.32Å; E275-Y294 HydrophobicContact CG-CE2 4.09Å; E275-A296 PolarHBondContact N-O 3.1Å; E275-T298 HydrophobicContact CB-CG2 4.1Å; E275-T298 VanDerWaalsContact O-CG2 3.32Å; E275-T298 WeakPolarHBondContact O-CG2 3.3Å; E275-T298 PolarHBondContact OE2-N 2.95Å; E275-T298 VanDerWaalsContact OE2-N 3.16Å; E275-G301 VanDerWaalsContact OE1-C 3.3Å; E275-G301 WeakPolarHBondContact OE1-CA 3.07Å; E275-A302 PolarHBondContact OE1-N 2.99Å; E275-F303 HydrophobicContact CG-CB 4.46Å; E275-F303 PolarHBondContact OE1-N 3.32Å; E275-G304 PolarHBondContact OE1-N 3.05Å; E275-S305 PolarHBondContact OE1-N 3.11Å; E275-S305 VanDerWaalsContact OE2-CB 3.3Å; E275-S305 WeakPolarHBondContact OE2-CB 3.31Å; E275-S305 PolarHBondContact OE2-OG 3.45Å
276	P	98.1	Very high	97.6	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.032	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-62.2	141.9	179.3	-30.7	40.8	0	0	0	113.8	V221 V272 R274 C280 A302 F303	V221-P276 HydrophobicContact CG2-CB 4.4Å; V221-P276 HydrophobicContact CG2-CG 4.01Å; V272-P276 HydrophobicContact CG1-CG 3.88Å; R274-P276 WeakPolarHBondContact O-CD 3.44Å; P276-C280 HydrophobicContact CB-CB 3.72Å; P276-A302 PolarHBondContact O-N 2.94Å; P276-F303 HydrophobicContact CB-CE2 3.92Å; P276-F303 HydrophobicContact CB-CZ 4.37Å; P276-F303 HydrophobicContact CG-CD2 4.24Å; P276-F303 HydrophobicContact CG-CE2 3.57Å; P276-F303 HydrophobicContact CG-CZ 4.36Å
277	C	97.4	Very high	97.7	Very high	31 Å²	31	22.2 Å²	22.2	21%	0.209	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-73.1	173	170.3	72.9	0	0	0	0	111.8	M279 C280 A281	C277-M279 VanDerWaalsContact C-N 3.3Å; C277-M279 PolarHBondContact O-N 2.87Å; C277-C280 PolarHBondContact O-N 3.08Å; C277-C280 VanDerWaalsContact O-N 3.11Å; C277-A281 WeakPolarHBondContact O-CB 3.46Å; C277-A281 PolarHBondContact O-N 2.81Å
278	V	97.6	Very high	97.8	Very high	63 Å²	63	26.2 Å²	26.2	38%	0.382	13%	0.127	S	C	.	.	H	α-helix	trans	-52.2	-44.5	-178.2	171.6	0	0	0	0	112.9	A281 M282 A302 Y307 I309	V278-A281 PolarHBondContact O-N 2.96Å; V278-M282 WeakPolarHBondContact O-CB 3.39Å; V278-M282 PolarHBondContact O-N 3.4Å; V278-A302 HydrophobicContact CB-CB 4.35Å; V278-A302 HydrophobicContact CG2-CB 3.88Å; V278-Y307 HydrophobicContact CG2-CD2 3.41Å; V278-Y307 VanDerWaalsContact CG2-CD2 3.41Å; V278-Y307 HydrophobicContact CG2-CE2 3.58Å; V278-Y307 HydrophobicContact CG2-CG 4.25Å; V278-I309 HydrophobicContact CB-CD1 4.2Å; V278-I309 HydrophobicContact CG1-CD1 3.85Å; V278-I309 HydrophobicContact CG2-CD1 4.28Å
279	M	97.7	Very high	97.8	Very high	55 Å²	55	25.3 Å²	25.3	27%	0.271	12%	0.123	S	C	.	.	H	α-helix	trans	-60.1	-52.6	178	178	-168	67.4	0	0	111.4	L217 H219 M222 C277 A281 M282 A283	L217-M279 HydrophobicContact CB-CE 4.24Å; L217-M279 HydrophobicContact CB-SD 3.92Å; L217-M279 HydrophobicContact CD1-SD 4.26Å; L217-M279 HydrophobicContact CD2-CE 4.41Å; L217-M279 HydrophobicContact CD2-SD 3.64Å; L217-M279 HydrophobicContact CG-SD 4.11Å; H219-M279 HydrophobicContact CB-CE 4.38Å; H219-M279 VanDerWaalsContact ND1-CE 3.35Å; H219-M279 WeakPolarHBondContact ND1-CE 3.19Å; M222-M279 HydrophobicContact CG-CE 3.61Å; M222-M279 HydrophobicContact SD-CE 4.26Å; C277-M279 VanDerWaalsContact C-N 3.3Å; C277-M279 PolarHBondContact O-N 2.87Å; M279-A281 VanDerWaalsContact C-N 3.33Å; M279-A281 PolarHBondContact O-N 3.02Å; M279-M282 PolarHBondContact O-N 3.14Å; M279-A283 WeakPolarHBondContact O-CB 3.39Å; M279-A283 PolarHBondContact O-N 3.05Å
280	C	98.3	Very high	97.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-178.6	-65.4	0	0	0	0	111.6	H219 V221 P276 C277 A283 L284	H219-C280 VanDerWaalsContact CB-SG 3.55Å; H219-C280 PolarHBondContact ND1-SG 3.47Å; H219-C280 VanDerWaalsContact ND1-SG 3.4Å; V221-C280 HydrophobicContact CB-CB 3.92Å; V221-C280 HydrophobicContact CG1-CB 4.02Å; V221-C280 HydrophobicContact CG2-CB 4.26Å; P276-C280 HydrophobicContact CB-CB 3.72Å; C277-C280 PolarHBondContact O-N 3.08Å; C277-C280 VanDerWaalsContact O-N 3.11Å; C280-A283 PolarHBondContact O-N 3.25Å; C280-L284 VanDerWaalsContact O-CG 3.29Å; C280-L284 WeakPolarHBondContact O-CG 3.4Å; C280-L284 PolarHBondContact O-N 2.82Å
281	A	98	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-41.7	176.6	0	0	0	0	0	112.1	C277 V278 M279 L284 V285 A302 F303 I309	C277-A281 WeakPolarHBondContact O-CB 3.46Å; C277-A281 PolarHBondContact O-N 2.81Å; V278-A281 PolarHBondContact O-N 2.96Å; M279-A281 VanDerWaalsContact C-N 3.33Å; M279-A281 PolarHBondContact O-N 3.02Å; A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 3.28Å; A281-V285 PolarHBondContact O-N 3.09Å; A281-A302 HydrophobicContact CB-CB 3.66Å; A281-F303 HydrophobicContact CB-CD1 4.27Å; A281-F303 HydrophobicContact CB-CE1 3.53Å; A281-F303 HydrophobicContact CB-CZ 3.8Å; A281-I309 HydrophobicContact CB-CB 4.28Å; A281-I309 HydrophobicContact CB-CD1 3.93Å; A281-I309 HydrophobicContact CB-CG2 4.47Å
282	M	97.8	Very high	97.7	Very high	57 Å²	57	29.5 Å²	29.5	28%	0.281	15%	0.146	S	C	.	.	H	α-helix	trans	-69.8	-35.9	175.5	-165.9	64.9	-165.3	0	0	112.2	V278 M279 L284 V285 H286 I309 L315	V278-M282 WeakPolarHBondContact O-CB 3.39Å; V278-M282 PolarHBondContact O-N 3.4Å; M279-M282 PolarHBondContact O-N 3.14Å; M282-L284 PolarHBondContact O-N 3.42Å; M282-V285 HydrophobicContact CE-CG1 4.42Å; M282-V285 WeakPolarHBondContact O-CB 3.34Å; M282-V285 PolarHBondContact O-N 3.37Å; M282-V285 VanDerWaalsContact O-N 3.15Å; M282-V285 HydrophobicContact SD-CB 4.34Å; M282-V285 HydrophobicContact SD-CG2 4.24Å; M282-H286 VanDerWaalsContact CE-NE2 3.31Å; M282-H286 WeakPolarHBondContact CE-NE2 3.4Å; M282-H286 PolarHBondContact O-CD2 2.83Å; M282-H286 PolarHBondContact O-N 3.21Å; M282-H286 VanDerWaalsContact O-N 3.09Å; M282-I309 HydrophobicContact SD-CG2 4.48Å; M282-L315 HydrophobicContact CE-CD2 3.88Å; M282-L315 HydrophobicContact SD-CD1 4.41Å; M282-L315 HydrophobicContact SD-CD2 4.23Å
283	A	97.8	Very high	97.7	Very high	17 Å²	17	29.5 Å²	29.5	14%	0.14	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-36.4	173.2	0	0	0	0	0	112	M222 I225 M279 C280 H286 S287	M222-A283 HydrophobicContact CE-CB 3.86Å; M222-A283 HydrophobicContact SD-CB 3.38Å; M222-A283 WeakPolarHBondContact SD-CB 3.49Å; I225-A283 HydrophobicContact CD1-CB 3.92Å; M279-A283 WeakPolarHBondContact O-CB 3.39Å; M279-A283 PolarHBondContact O-N 3.05Å; C280-A283 PolarHBondContact O-N 3.25Å; A283-H286 PolarHBondContact O-N 2.86Å; A283-S287 WeakPolarHBondContact O-CB 3.24Å; A283-S287 PolarHBondContact O-N 3.42Å; A283-S287 PolarHBondContact O-OG 2.84Å
284	L	98.1	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-33.5	175.5	-72.4	164.9	0	0	0	113.4	V221 I225 L270 C280 A281 M282 S287 R288 I289 V292 F303 F319	V221-L284 HydrophobicContact CG1-CD1 3.88Å; V221-L284 HydrophobicContact CG1-CD2 4.01Å; V221-L284 HydrophobicContact CG1-CG 3.88Å; I225-L284 HydrophobicContact CD1-CD2 4.01Å; I225-L284 HydrophobicContact CD1-CG 4.3Å; L270-L284 HydrophobicContact CD2-CD1 3.66Å; L270-L284 HydrophobicContact CD2-CD2 3.74Å; L270-L284 HydrophobicContact CD2-CG 4.33Å; C280-L284 VanDerWaalsContact O-CG 3.29Å; C280-L284 WeakPolarHBondContact O-CG 3.4Å; C280-L284 PolarHBondContact O-N 2.82Å; A281-L284 WeakPolarHBondContact O-CB 3.41Å; A281-L284 PolarHBondContact O-N 3.28Å; M282-L284 PolarHBondContact O-N 3.42Å; L284-S287 WeakPolarHBondContact CA-OG 3.48Å; L284-S287 PolarHBondContact O-OG 3.2Å; L284-R288 PolarHBondContact O-N 3.34Å; L284-I289 HydrophobicContact CB-CB 4.47Å; L284-I289 HydrophobicContact CB-CG2 3.8Å; L284-I289 HydrophobicContact CD2-CB 3.92Å; L284-I289 HydrophobicContact CD2-CD1 4.43Å; L284-I289 HydrophobicContact CD2-CG1 4.07Å; L284-I289 HydrophobicContact CD2-CG2 3.99Å; L284-I289 HydrophobicContact CG-CG2 4.42Å; L284-I289 PolarHBondContact O-N 3.47Å; L284-V292 HydrophobicContact CD1-CG2 4.05Å; L284-F303 HydrophobicContact CD1-CE2 4.4Å; L284-F303 HydrophobicContact CD1-CZ 3.88Å; L284-F319 HydrophobicContact CB-CE1 4.47Å; L284-F319 HydrophobicContact CB-CZ 4.16Å
285	V	97.4	Very high	97.7	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-49.4	169.1	179.2	0	0	0	0	109.5	A281 M282 S287 R288 I309 L315 H317 F319	A281-V285 PolarHBondContact O-N 3.09Å; M282-V285 HydrophobicContact CE-CG1 4.42Å; M282-V285 WeakPolarHBondContact O-CB 3.34Å; M282-V285 PolarHBondContact O-N 3.37Å; M282-V285 VanDerWaalsContact O-N 3.15Å; M282-V285 HydrophobicContact SD-CB 4.34Å; M282-V285 HydrophobicContact SD-CG2 4.24Å; V285-S287 VanDerWaalsContact C-N 3.34Å; V285-S287 PolarHBondContact O-N 3.43Å; V285-R288 PolarHBondContact O-N 3.07Å; V285-I309 HydrophobicContact CG2-CG2 4.03Å; V285-L315 HydrophobicContact CG1-CB 4.46Å; V285-L315 HydrophobicContact CG1-CD1 4.48Å; V285-L315 HydrophobicContact CG2-CD1 4.05Å; V285-H317 HydrophobicContact CG1-CB 4.08Å; V285-F319 HydrophobicContact CG2-CE1 3.73Å
286	H	96.3	Very high	97.6	Very high	111 Å²	111	26.9 Å²	26.9	51%	0.514	14%	0.137	S	C	.	.	H	α-helix	trans	-68.1	-30	-178.9	-69	-54.2	0	0	0	113.9	M282 A283 R288	M282-H286 VanDerWaalsContact CE-NE2 3.31Å; M282-H286 WeakPolarHBondContact CE-NE2 3.4Å; M282-H286 PolarHBondContact O-CD2 2.83Å; M282-H286 PolarHBondContact O-N 3.21Å; M282-H286 VanDerWaalsContact O-N 3.09Å; A283-H286 PolarHBondContact O-N 2.86Å; H286-R288 VanDerWaalsContact C-N 3.28Å
287	S	96.1	Very high	97.5	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.7	176.5	75.7	0	0	0	0	113.8	C265 T266 A283 L284 V285 I289	C265-S287 CarbonylContact C-O 3.58Å; C265-S287 WeakPolarHBondContact CA-O 3.19Å; C265-S287 WeakPolarHBondContact CB-O 3.41Å; C265-S287 PolarHBondContact N-O 3.41Å; C265-S287 VanDerWaalsContact N-O 3.13Å; T266-S287 PolarHBondContact N-O 2.9Å; A283-S287 WeakPolarHBondContact O-CB 3.24Å; A283-S287 PolarHBondContact O-N 3.42Å; A283-S287 PolarHBondContact O-OG 2.84Å; L284-S287 WeakPolarHBondContact CA-OG 3.48Å; L284-S287 PolarHBondContact O-OG 3.2Å; V285-S287 VanDerWaalsContact C-N 3.34Å; V285-S287 PolarHBondContact O-N 3.43Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.27Å
288	R	96.4	Very high	97.3	Very high	116 Å²	116	30.4 Å²	30.4	44%	0.438	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	39	-179.2	-60.4	-173	177.1	140.1	-0.7	114.1	T266 L284 V285 H286 H317	T266-R288 WeakPolarHBondContact CA-O 3.17Å; L284-R288 PolarHBondContact O-N 3.34Å; V285-R288 PolarHBondContact O-N 3.07Å; H286-R288 VanDerWaalsContact C-N 3.28Å; R288-H317 WeakPolarHBondContact CA-NE2 3.43Å
289	I	97.9	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.			trans	-53.7	146.2	174.8	-160.2	69.8	0	0	0	110.5	C265 Y268 L270 L284 S287 V292 H317 F319	C265-I289 HydrophobicContact CB-CD1 3.75Å; Y268-I289 WeakPolarHBondContact O-CD1 3.21Å; Y268-I289 WeakPolarHBondContact O-CG1 3.28Å; L270-I289 HydrophobicContact CB-CD1 4.12Å; L270-I289 HydrophobicContact CB-CG1 4.18Å; L284-I289 HydrophobicContact CB-CB 4.47Å; L284-I289 HydrophobicContact CB-CG2 3.8Å; L284-I289 HydrophobicContact CD2-CB 3.92Å; L284-I289 HydrophobicContact CD2-CD1 4.43Å; L284-I289 HydrophobicContact CD2-CG1 4.07Å; L284-I289 HydrophobicContact CD2-CG2 3.99Å; L284-I289 HydrophobicContact CG-CG2 4.42Å; L284-I289 PolarHBondContact O-N 3.47Å; S287-I289 VanDerWaalsContact C-N 3.32Å; S287-I289 PolarHBondContact O-N 3.27Å; I289-V292 HydrophobicContact CG1-CG2 4.31Å; I289-V292 HydrophobicContact CG2-CG2 3.9Å; I289-H317 PolarHBondContact O-NE2 3.32Å; I289-F319 HydrophobicContact CG2-CB 4.06Å; I289-F319 HydrophobicContact CG2-CD1 3.98Å; I289-F319 HydrophobicContact CG2-CD2 3.83Å; I289-F319 HydrophobicContact CG2-CE1 4.29Å; I289-F319 HydrophobicContact CG2-CE2 4.16Å; I289-F319 HydrophobicContact CG2-CG 3.72Å; I289-F319 HydrophobicContact CG2-CZ 4.36Å; I289-F319 WeakPolarHBondContact O-CB 3.49Å
290	S	97.5	Very high	96.6	Very high	47 Å²	47	33 Å²	33	33%	0.329	18%	0.184	S	C	.	.	S	Bend	trans	-84.2	-51.1	179	-174.8	0	0	0	0	111.9	Y268 F319 E320	Y268-S290 VanDerWaalsContact O-CB 3.25Å; Y268-S290 WeakPolarHBondContact O-CB 3.5Å; Y268-S290 PolarHBondContact O-N 3.11Å; S290-F319 WeakPolarHBondContact O-CA 3.35Å; S290-F319 VanDerWaalsContact O-CB 3.24Å; S290-F319 WeakPolarHBondContact O-CB 3.49Å; S290-E320 PolarHBondContact O-N 3.05Å
291	R	98	Very high	96.4	Very high	52 Å²	52	32.9 Å²	32.9	20%	0.196	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.9	-179.3	-51.8	178.5	-72.3	-170.9	-2	111.4	D269 L270 F293 E320 F322	D269-R291 CarbonylContact C-O 3.4Å; D269-R291 WeakPolarHBondContact CA-O 3.36Å; D269-R291 VanDerWaalsContact CG-NE 3.32Å; D269-R291 VanDerWaalsContact OD1-CB 3.29Å; D269-R291 WeakPolarHBondContact OD1-CB 3.26Å; D269-R291 WeakPolarHBondContact OD1-CG 3.48Å; D269-R291 IonicContact OD1-CZ 3.16Å; D269-R291 PolarHBondContact OD1-N 2.78Å; D269-R291 IonicContact OD1-NE 2.77Å; D269-R291 PolarHBondContact OD1-NE 3.04Å; D269-R291 IonicContact OD1-NH2 2.8Å; D269-R291 IonicContact OD2-CZ 2.79Å; D269-R291 IonicContact OD2-NE 2.68Å; D269-R291 PolarHBondContact OD2-NE 3.45Å; D269-R291 IonicContact OD2-NH2 3.6Å; D269-R291 PolarHBondContact OD2-NH2 3.26Å; L270-R291 PolarHBondContact N-O 2.79Å; R291-F293 HydrophobicContact CB-CE2 3.79Å; R291-F293 HydrophobicContact CB-CZ 4.26Å; R291-E320 CarbonylContact C-O 3.59Å; R291-E320 VanDerWaalsContact CA-O 3.25Å; R291-E320 WeakPolarHBondContact CA-O 3.49Å; R291-E320 WeakPolarHBondContact CD-OE2 3.49Å; R291-E320 HydrophobicContact CG-CB 4.19Å; R291-F322 HydrophobicContact CB-CE2 4.49Å
292	V	98.6	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.2	175.2	-175.1	0	0	0	0	110.1	L270 V272 L284 I289 F303 F319 E320 V321 F322	L270-V292 HydrophobicContact CB-CG1 4.32Å; L270-V292 HydrophobicContact CB-CG2 4.28Å; L270-V292 HydrophobicContact CD2-CG1 3.91Å; L270-V292 HydrophobicContact CD2-CG2 4.39Å; L270-V292 HydrophobicContact CG-CG1 4.28Å; L270-V292 CarbonylContact O-C 3.4Å; L270-V292 WeakPolarHBondContact O-CA 3.49Å; V272-V292 HydrophobicContact CG1-CG1 4.31Å; L284-V292 HydrophobicContact CD1-CG2 4.05Å; I289-V292 HydrophobicContact CG1-CG2 4.31Å; I289-V292 HydrophobicContact CG2-CG2 3.9Å; V292-F303 HydrophobicContact CB-CE2 4.26Å; V292-F303 HydrophobicContact CG1-CE2 3.8Å; V292-F303 HydrophobicContact CG2-CE2 4.44Å; V292-F303 HydrophobicContact CG2-CZ 4.37Å; V292-F319 HydrophobicContact CB-CE2 4.41Å; V292-F319 HydrophobicContact CG2-CD2 3.77Å; V292-F319 HydrophobicContact CG2-CE2 3.58Å; V292-E320 PolarHBondContact N-O 2.98Å; V292-V321 HydrophobicContact CB-CG1 4.45Å; V292-V321 HydrophobicContact CB-CG2 4.3Å; V292-V321 CarbonylContact O-C 3.39Å; V292-V321 WeakPolarHBondContact O-CA 3.34Å; V292-F322 PolarHBondContact O-N 3.12Å
293	F	98.4	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.4	177.2	-62.1	-89.9	0	0	0	108.5	V20 F161 M169 D269 L270 Y271 V272 R291 F322 V325	V20-F293 HydrophobicContact CG1-CD1 4.25Å; V20-F293 HydrophobicContact CG1-CE1 4.35Å; F161-F293 HydrophobicContact CE1-CE1 4.25Å; F161-F293 HydrophobicContact CE1-CZ 4.26Å; F161-F293 HydrophobicContact CE2-CE1 4.12Å; F161-F293 AromaticContact CZ-CE1 3.66Å; F161-F293 HydrophobicContact CZ-CE1 3.66Å; F161-F293 AromaticContact CZ-CZ 4Å; F161-F293 HydrophobicContact CZ-CZ 4Å; M169-F293 HydrophobicContact CE-CD1 4.11Å; M169-F293 HydrophobicContact CE-CE1 3.36Å; M169-F293 HydrophobicContact CE-CZ 3.73Å; M169-F293 HydrophobicContact SD-CD1 4.41Å; M169-F293 HydrophobicContact SD-CE1 4.2Å; D269-F293 HydrophobicContact CB-CE2 4.19Å; L270-F293 PolarHBondContact O-N 3.4Å; Y271-F293 CarbonylContact C-O 3.58Å; Y271-F293 WeakPolarHBondContact CA-O 3.44Å; Y271-F293 HydrophobicContact CD1-CB 3.53Å; Y271-F293 HydrophobicContact CD1-CD2 4.15Å; Y271-F293 AromaticContact CD1-CG 3.99Å; Y271-F293 HydrophobicContact CD1-CG 3.99Å; Y271-F293 HydrophobicContact CD2-CD2 4.49Å; Y271-F293 HydrophobicContact CE1-CB 3.6Å; Y271-F293 HydrophobicContact CE1-CD1 4.19Å; Y271-F293 AromaticContact CE1-CD2 3.58Å; Y271-F293 HydrophobicContact CE1-CD2 3.58Å; Y271-F293 HydrophobicContact CE1-CE2 4.31Å; Y271-F293 AromaticContact CE1-CG 3.52Å; Y271-F293 HydrophobicContact CE1-CG 3.52Å; Y271-F293 AromaticContact CE2-CD2 3.98Å; Y271-F293 HydrophobicContact CE2-CD2 3.98Å; Y271-F293 HydrophobicContact CE2-CE2 4.42Å; Y271-F293 HydrophobicContact CG-CB 4.24Å; Y271-F293 AromaticContact CZ-CD2 3.49Å; Y271-F293 VanDerWaalsContact CZ-CD2 3.49Å; Y271-F293 AromaticContact CZ-CE2 3.88Å; Y271-F293 AromaticContact CZ-CG 3.94Å; V272-F293 PolarHBondContact N-O 3.22Å; R291-F293 HydrophobicContact CB-CE2 3.79Å; R291-F293 HydrophobicContact CB-CZ 4.26Å; F293-F322 WeakPolarHBondContact CA-O 3.27Å; F293-F322 HydrophobicContact CD1-CB 3.56Å; F293-F322 AromaticContact CD1-CD2 3.9Å; F293-F322 HydrophobicContact CD1-CD2 3.9Å; F293-F322 AromaticContact CD1-CG 4Å; F293-F322 HydrophobicContact CD1-CG 4Å; F293-F322 HydrophobicContact CE1-CB 3.8Å; F293-F322 AromaticContact CE1-CD2 3.35Å; F293-F322 HydrophobicContact CE1-CD2 3.35Å; F293-F322 HydrophobicContact CE1-CE2 4.12Å; F293-F322 AromaticContact CE1-CG 3.68Å; F293-F322 HydrophobicContact CE1-CG 3.68Å; F293-F322 HydrophobicContact CE2-CD2 4.44Å; F293-F322 HydrophobicContact CG-CB 4.42Å; F293-F322 AromaticContact CZ-CD2 3.68Å; F293-F322 HydrophobicContact CZ-CD2 3.68Å; F293-F322 HydrophobicContact CZ-CE2 4.11Å; F293-F322 HydrophobicContact CZ-CG 4.44Å; F293-V325 HydrophobicContact CB-CG2 4.05Å; F293-V325 HydrophobicContact CD1-CG2 4.13Å
294	Y	98.4	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.5	175.6	74.3	-91.5	0	0	0	113.7	V23 V272 E275 F303 V321 F322 K323 G324 V325	V23-Y294 HydrophobicContact CG2-CE1 3.86Å; V272-Y294 WeakPolarHBondContact O-CA 3.42Å; E275-Y294 HydrophobicContact CB-CD2 3.76Å; E275-Y294 HydrophobicContact CB-CE2 3.81Å; E275-Y294 HydrophobicContact CB-CG 4.23Å; E275-Y294 HydrophobicContact CG-CD2 4.34Å; E275-Y294 HydrophobicContact CG-CE1 4.32Å; E275-Y294 HydrophobicContact CG-CE2 4.09Å; Y294-F303 HydrophobicContact CD1-CD2 4.37Å; Y294-F303 HydrophobicContact CE1-CB 4.3Å; Y294-F303 HydrophobicContact CE1-CD2 4.49Å; Y294-V321 HydrophobicContact CD1-CG1 3.93Å; Y294-V321 HydrophobicContact CE1-CG1 3.78Å; Y294-F322 WeakPolarHBondContact CD1-O 3.41Å; Y294-F322 PolarHBondContact N-O 3.37Å; Y294-K323 HydrophobicContact CD1-CB 4.29Å; Y294-K323 HydrophobicContact CD2-CB 4.34Å; Y294-K323 HydrophobicContact CE1-CB 3.64Å; Y294-K323 HydrophobicContact CE2-CB 3.69Å; Y294-K323 CarbonylContact O-C 3.51Å; Y294-K323 WeakPolarHBondContact O-CA 3.36Å; Y294-K323 WeakPolarHBondContact OH-CB 3.26Å; Y294-G324 PolarHBondContact O-N 3.03Å; Y294-V325 PolarHBondContact O-N 3.19Å
295	G	97	Very high	95.6	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-80.4	178.1	0	0	0	0	0	112.5	V272 V325	V272-G295 PolarHBondContact O-N 3.32Å; G295-V325 WeakPolarHBondContact CA-O 3.48Å
296	A	96.4	Very high	95.4	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.8	-176.1	0	0	0	0	0	112.3	T273 R274 E275 C330 E331	T273-A296 PolarHBondContact O-N 2.98Å; R274-A296 CarbonylContact C-O 3.53Å; R274-A296 WeakPolarHBondContact CA-O 3.26Å; E275-A296 PolarHBondContact N-O 3.1Å; A296-C330 HydrophobicContact CB-CB 3.9Å; A296-E331 HydrophobicContact CB-CG 3.85Å
297	S	95.5	Very high	95.2	Very high	66 Å²	66	41 Å²	41	46%	0.462	22%	0.222	S	C	.	.			trans	-78.4	157.8	172.5	-54.6	0	0	0	0	111
298	T	93.8	Very high	95.1	Very high	43 Å²	43	42.3 Å²	42.3	26%	0.264	23%	0.227	S	C	.	.			trans	-138.3	149.6	178.5	-164.5	0	0	0	0	112	R274 E275 D300 G301 S305	R274-T298 HydrophobicContact CG-CG2 4.44Å; E275-T298 HydrophobicContact CB-CG2 4.1Å; E275-T298 VanDerWaalsContact O-CG2 3.32Å; E275-T298 WeakPolarHBondContact O-CG2 3.3Å; E275-T298 PolarHBondContact OE2-N 2.95Å; E275-T298 VanDerWaalsContact OE2-N 3.16Å; T298-D300 PolarHBondContact O-N 3.4Å; T298-D300 VanDerWaalsContact O-N 3.16Å; T298-G301 WeakPolarHBondContact O-CA 3.38Å; T298-G301 PolarHBondContact O-N 3.14Å; T298-S305 WeakPolarHBondContact O-CB 3.09Å; T298-S305 PolarHBondContact O-OG 3.41Å
299	A	91.6	Very high	95.1	Very high	80 Å²	80	37.7 Å²	37.7	66%	0.661	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.8	-176.1	0	0	0	0	0	113.6	G301	A299-G301 VanDerWaalsContact C-N 3.33Å
300	D	89.9	Confident	94.9	Very high	94 Å²	94	38.3 Å²	38.3	50%	0.503	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	18	177.2	-62.3	-44.5	0	0	0	113.2	T298 R306	T298-D300 PolarHBondContact O-N 3.4Å; T298-D300 VanDerWaalsContact O-N 3.16Å; D300-R306 IonicContact OD1-NH1 3.29Å; D300-R306 PolarHBondContact OD1-NH1 3.45Å
301	G	94.8	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-69.3	138.6	-176.8	0	0	0	0	0	112.9	E275 T298 A299 R306 Y307	E275-G301 VanDerWaalsContact OE1-C 3.3Å; E275-G301 WeakPolarHBondContact OE1-CA 3.07Å; T298-G301 WeakPolarHBondContact O-CA 3.38Å; T298-G301 PolarHBondContact O-N 3.14Å; A299-G301 VanDerWaalsContact C-N 3.33Å; G301-R306 WeakPolarHBondContact O-CB 3.47Å; G301-R306 PolarHBondContact O-N 3.11Å; G301-Y307 PolarHBondContact O-N 2.88Å
302	A	96.8	Very high	94.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	11.3	-170.9	0	0	0	0	0	115.1	E275 P276 V278 A281 Y307 I309	E275-A302 PolarHBondContact OE1-N 2.99Å; P276-A302 PolarHBondContact O-N 2.94Å; V278-A302 HydrophobicContact CB-CB 4.35Å; V278-A302 HydrophobicContact CG2-CB 3.88Å; A281-A302 HydrophobicContact CB-CB 3.66Å; A302-Y307 CarbonylContact C-O 3.48Å; A302-Y307 CarbonylContact O-C 3.58Å; A302-Y307 VanDerWaalsContact O-O 3.08Å; A302-I309 HydrophobicContact CB-CD1 3.8Å; A302-I309 HydrophobicContact CB-CG1 4.17Å; A302-I309 PolarHBondContact O-N 2.97Å
303	F	95.3	Very high	94.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-39.9	175.2	-65.4	-38.5	0	0	0	113.9	V23 E275 P276 A281 L284 V292 Y294 Y307 K308 H310 F319 V321	V23-F303 WeakPolarHBondContact CG1-O 3.46Å; E275-F303 HydrophobicContact CG-CB 4.46Å; E275-F303 PolarHBondContact OE1-N 3.32Å; P276-F303 HydrophobicContact CB-CE2 3.92Å; P276-F303 HydrophobicContact CB-CZ 4.37Å; P276-F303 HydrophobicContact CG-CD2 4.24Å; P276-F303 HydrophobicContact CG-CE2 3.57Å; P276-F303 HydrophobicContact CG-CZ 4.36Å; A281-F303 HydrophobicContact CB-CD1 4.27Å; A281-F303 HydrophobicContact CB-CE1 3.53Å; A281-F303 HydrophobicContact CB-CZ 3.8Å; L284-F303 HydrophobicContact CD1-CE2 4.4Å; L284-F303 HydrophobicContact CD1-CZ 3.88Å; V292-F303 HydrophobicContact CB-CE2 4.26Å; V292-F303 HydrophobicContact CG1-CE2 3.8Å; V292-F303 HydrophobicContact CG2-CE2 4.44Å; V292-F303 HydrophobicContact CG2-CZ 4.37Å; Y294-F303 HydrophobicContact CD1-CD2 4.37Å; Y294-F303 HydrophobicContact CE1-CB 4.3Å; Y294-F303 HydrophobicContact CE1-CD2 4.49Å; F303-Y307 CarbonylContact C-O 3.55Å; F303-Y307 WeakPolarHBondContact CA-O 3.49Å; F303-Y307 PolarHBondContact N-O 3.16Å; F303-Y307 VanDerWaalsContact N-O 3.15Å; F303-K308 WeakPolarHBondContact O-CG 3.37Å; F303-H310 HydrophobicContact CD1-CB 4.31Å; F303-H310 AromaticContact CD1-ND1 3.7Å; F303-H310 HydrophobicContact CE1-CB 4.39Å; F303-H310 PolarHBondContact O-CE1 3.13Å; F303-F319 HydrophobicContact CD1-CE2 4.5Å; F303-F319 AromaticContact CE1-CE2 3.63Å; F303-F319 HydrophobicContact CE1-CE2 3.63Å; F303-F319 AromaticContact CE1-CZ 3.53Å; F303-F319 HydrophobicContact CE1-CZ 3.53Å; F303-F319 AromaticContact CZ-CE2 3.7Å; F303-F319 HydrophobicContact CZ-CE2 3.7Å; F303-F319 AromaticContact CZ-CZ 3.82Å; F303-F319 HydrophobicContact CZ-CZ 3.82Å; F303-V321 HydrophobicContact CB-CG1 3.83Å; F303-V321 HydrophobicContact CD1-CG2 3.9Å; F303-V321 HydrophobicContact CD2-CG1 3.72Å; F303-V321 HydrophobicContact CD2-CG2 4.26Å; F303-V321 HydrophobicContact CE1-CG2 4.13Å; F303-V321 HydrophobicContact CE2-CG1 4.4Å; F303-V321 HydrophobicContact CE2-CG2 4.44Å; F303-V321 HydrophobicContact CG-CB 4.43Å; F303-V321 HydrophobicContact CG-CG1 3.8Å; F303-V321 HydrophobicContact CG-CG2 3.99Å; F303-V321 HydrophobicContact CZ-CG2 4.39Å
304	G	89.8	Confident	93.9	Very high	32 Å²	32	52.9 Å²	52.9	33%	0.33	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	-20.3	-177.9	0	0	0	0	0	114.6	E275 Y307	E275-G304 PolarHBondContact OE1-N 3.05Å; G304-Y307 PolarHBondContact N-O 3.24Å
305	S	91.9	Very high	93.7	Very high	57 Å²	57	54.9 Å²	54.9	40%	0.399	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-62	-176	-67.7	0	0	0	0	113.3	E275 T298	E275-S305 PolarHBondContact OE1-N 3.11Å; E275-S305 VanDerWaalsContact OE2-CB 3.3Å; E275-S305 WeakPolarHBondContact OE2-CB 3.31Å; E275-S305 PolarHBondContact OE2-OG 3.45Å; T298-S305 WeakPolarHBondContact O-CB 3.09Å; T298-S305 PolarHBondContact O-OG 3.41Å
306	R	92.9	Very high	93.3	Very high	153 Å²	153	61.2 Å²	61.2	58%	0.577	33%	0.33	S	S	*	.	S	Bend	trans	-114.9	-33.6	-174.5	-166.1	172.5	-178.8	160.6	3.7	113.1	D300 G301	D300-R306 IonicContact OD1-NH1 3.29Å; D300-R306 PolarHBondContact OD1-NH1 3.45Å; G301-R306 WeakPolarHBondContact O-CB 3.47Å; G301-R306 PolarHBondContact O-N 3.11Å
307	Y	93.1	Very high	93.2	Very high	115 Å²	115	63.2 Å²	63.2	45%	0.451	34%	0.339	S	S	.	.			trans	-132.7	165.9	176.5	-54.3	-83.9	0	0	0	110	V278 G301 A302 F303 G304	V278-Y307 HydrophobicContact CG2-CD2 3.41Å; V278-Y307 VanDerWaalsContact CG2-CD2 3.41Å; V278-Y307 HydrophobicContact CG2-CE2 3.58Å; V278-Y307 HydrophobicContact CG2-CG 4.25Å; G301-Y307 PolarHBondContact O-N 2.88Å; A302-Y307 CarbonylContact C-O 3.48Å; A302-Y307 CarbonylContact O-C 3.58Å; A302-Y307 VanDerWaalsContact O-O 3.08Å; F303-Y307 CarbonylContact C-O 3.55Å; F303-Y307 WeakPolarHBondContact CA-O 3.49Å; F303-Y307 PolarHBondContact N-O 3.16Å; F303-Y307 VanDerWaalsContact N-O 3.15Å; G304-Y307 PolarHBondContact N-O 3.24Å
308	K	94.3	Very high	93.1	Very high	28 Å²	28	66.7 Å²	66.7	12%	0.122	34%	0.342	C	S	.	.			trans	-129.5	67.4	171.8	-56	-170	175.2	166.9	0	109	L24 D26 S29 F303 H310 C311 Q312	L24-K308 VanDerWaalsContact O-CD 3.3Å; L24-K308 WeakPolarHBondContact O-CD 3.36Å; L24-K308 VanDerWaalsContact O-CE 3.3Å; L24-K308 WeakPolarHBondContact O-CE 3.33Å; L24-K308 PolarHBondContact O-NZ 3.47Å; D26-K308 WeakPolarHBondContact OD1-CD 3.5Å; D26-K308 WeakPolarHBondContact OD1-CE 3.47Å; D26-K308 IonicContact OD1-NZ 2.94Å; D26-K308 PolarHBondContact OD1-NZ 2.85Å; S29-K308 PolarHBondContact OG-NZ 3.45Å; F303-K308 WeakPolarHBondContact O-CG 3.37Å; K308-H310 VanDerWaalsContact C-N 3.26Å; K308-H310 PolarHBondContact O-N 3.05Å; K308-C311 HydrophobicContact CB-CB 4.1Å; K308-C311 PolarHBondContact O-N 2.96Å; K308-Q312 PolarHBondContact O-NE2 3.39Å
309	I	95	Very high	93.2	Very high	19 Å²	19	65.2 Å²	65.2	10%	0.097	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-59.9	-40	-171.9	-69.1	-174.7	0	0	0	111	V278 A281 M282 V285 A302 C311 Q312 L315	V278-I309 HydrophobicContact CB-CD1 4.2Å; V278-I309 HydrophobicContact CG1-CD1 3.85Å; V278-I309 HydrophobicContact CG2-CD1 4.28Å; A281-I309 HydrophobicContact CB-CB 4.28Å; A281-I309 HydrophobicContact CB-CD1 3.93Å; A281-I309 HydrophobicContact CB-CG2 4.47Å; M282-I309 HydrophobicContact SD-CG2 4.48Å; V285-I309 HydrophobicContact CG2-CG2 4.03Å; A302-I309 HydrophobicContact CB-CD1 3.8Å; A302-I309 HydrophobicContact CB-CG1 4.17Å; A302-I309 PolarHBondContact O-N 2.97Å; I309-C311 PolarHBondContact O-N 3.24Å; I309-C311 VanDerWaalsContact O-N 3.11Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 WeakPolarHBondContact O-CG 3.4Å; I309-Q312 PolarHBondContact O-N 3.16Å; I309-Q312 VanDerWaalsContact O-N 3.1Å; I309-L315 HydrophobicContact CG2-CD1 3.76Å; I309-L315 WeakPolarHBondContact O-CD1 3.33Å
310	H	94.7	Very high	93.4	Very high	13 Å²	13	66.2 Å²	66.2	6%	0.06	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-63.2	-17.5	178.2	68.3	-60.1	0	0	0	113.7	V23 F303 K308 F319 V321	V23-H310 PolarHBondContact O-NE2 3.29Å; F303-H310 HydrophobicContact CD1-CB 4.31Å; F303-H310 AromaticContact CD1-ND1 3.7Å; F303-H310 HydrophobicContact CE1-CB 4.39Å; F303-H310 PolarHBondContact O-CE1 3.13Å; K308-H310 VanDerWaalsContact C-N 3.26Å; K308-H310 PolarHBondContact O-N 3.05Å; H310-F319 HydrophobicContact CB-CD1 4.43Å; H310-F319 HydrophobicContact CB-CD2 4.11Å; H310-F319 HydrophobicContact CB-CE1 4.1Å; H310-F319 HydrophobicContact CB-CE2 3.76Å; H310-F319 HydrophobicContact CB-CG 4.45Å; H310-F319 HydrophobicContact CB-CZ 3.77Å; H310-V321 HydrophobicContact CB-CG2 3.78Å; H310-V321 VanDerWaalsContact CD2-CG2 3.4Å; H310-V321 WeakPolarHBondContact CD2-CG2 3.44Å; H310-V321 VanDerWaalsContact CG-CG2 3.43Å
311	C	93.3	Very high	93.8	Very high	34 Å²	34	62 Å²	62	23%	0.23	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-96	-4.6	177.2	-61.1	0	0	0	0	114.4	S25 K308 I309 K313	S25-C311 VanDerWaalsContact CA-SG 3.56Å; K308-C311 HydrophobicContact CB-CB 4.1Å; K308-C311 PolarHBondContact O-N 2.96Å; I309-C311 PolarHBondContact O-N 3.24Å; I309-C311 VanDerWaalsContact O-N 3.11Å; C311-K313 PolarHBondContact O-N 2.99Å
312	Q	93.8	Very high	93.8	Very high	89 Å²	89	62.1 Å²	62.1	42%	0.416	30%	0.301	S	S	.	.			trans	-68.9	125.6	-174.8	-64.2	-57.6	-56	0	0	111.5	K308 I309 D314 L315 R318	K308-Q312 PolarHBondContact O-NE2 3.39Å; I309-Q312 WeakPolarHBondContact O-CB 3.47Å; I309-Q312 WeakPolarHBondContact O-CG 3.4Å; I309-Q312 PolarHBondContact O-N 3.16Å; I309-Q312 VanDerWaalsContact O-N 3.1Å; Q312-D314 VanDerWaalsContact C-N 3.32Å; Q312-D314 PolarHBondContact O-N 2.8Å; Q312-L315 HydrophobicContact CB-CD1 3.83Å; Q312-L315 HydrophobicContact CB-CG 3.86Å; Q312-L315 HydrophobicContact CG-CD1 4.42Å; Q312-L315 PolarHBondContact O-N 2.83Å; Q312-R318 PolarHBondContact O-NH1 3.17Å
313	K	90.6	Very high	93.8	Very high	122 Å²	122	66.2 Å²	66.2	53%	0.53	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-33.2	-172.9	-72.5	176.9	177.1	169.4	0	112.9	E27 C311 L315 R318	E27-K313 WeakPolarHBondContact OE1-CE 3.43Å; E27-K313 IonicContact OE1-NZ 3.14Å; E27-K313 PolarHBondContact OE1-NZ 3.47Å; E27-K313 IonicContact OE2-NZ 2.74Å; E27-K313 PolarHBondContact OE2-NZ 3.49Å; C311-K313 PolarHBondContact O-N 2.99Å; K313-L315 VanDerWaalsContact C-N 3.3Å; K313-L315 PolarHBondContact O-N 3.35Å; K313-R318 PolarHBondContact O-NH2 3.39Å
314	D	93.6	Very high	93.7	Very high	161 Å²	161	66.9 Å²	66.9	86%	0.861	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-4.5	-175.4	-56.2	-40.2	0	0	0	114.3	Q312	Q312-D314 VanDerWaalsContact C-N 3.32Å; Q312-D314 PolarHBondContact O-N 2.8Å
315	L	93.6	Very high	94	Very high	43 Å²	43	65.4 Å²	65.4	23%	0.225	31%	0.31	C	S	.	.	S	Bend	trans	-82.5	144.7	174.8	-62.1	-177.8	0	0	0	111.4	M282 V285 I309 Q312 K313	M282-L315 HydrophobicContact CE-CD2 3.88Å; M282-L315 HydrophobicContact SD-CD1 4.41Å; M282-L315 HydrophobicContact SD-CD2 4.23Å; V285-L315 HydrophobicContact CG1-CB 4.46Å; V285-L315 HydrophobicContact CG1-CD1 4.48Å; V285-L315 HydrophobicContact CG2-CD1 4.05Å; I309-L315 HydrophobicContact CG2-CD1 3.76Å; I309-L315 WeakPolarHBondContact O-CD1 3.33Å; Q312-L315 HydrophobicContact CB-CD1 3.83Å; Q312-L315 HydrophobicContact CB-CG 3.86Å; Q312-L315 HydrophobicContact CG-CD1 4.42Å; Q312-L315 PolarHBondContact O-N 2.83Å; K313-L315 VanDerWaalsContact C-N 3.3Å; K313-L315 PolarHBondContact O-N 3.35Å
316	N	89.4	Confident	94.2	Very high	135 Å²	135	64 Å²	64	72%	0.722	30%	0.298	S	S	*	.	S	Bend	trans	-81.3	-11.3	-173.1	65.7	-13.3	0	0	0	114.9
317	H	94.7	Very high	94.3	Very high	44 Å²	44	58.6 Å²	58.6	20%	0.204	28%	0.281	C	S	.	.			trans	-130.9	142.3	178.4	-177	66.6	0	0	0	110.4	V285 R288 I289	V285-H317 HydrophobicContact CG1-CB 4.08Å; R288-H317 WeakPolarHBondContact CA-NE2 3.43Å; I289-H317 PolarHBondContact O-NE2 3.32Å
318	R	92.7	Very high	94.4	Very high	138 Å²	138	56.2 Å²	56.2	52%	0.521	28%	0.276	S	S	.	.			trans	-123.2	141	177.4	-58.9	-157.4	-166.8	-64.3	-9.3	110.3	Q312 K313	Q312-R318 PolarHBondContact O-NH1 3.17Å; K313-R318 PolarHBondContact O-NH2 3.39Å
319	F	96	Very high	94.5	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.057	27%	0.274	C	S	.	.			trans	-145.2	156	177.3	62.2	-90.7	0	0	0	110.5	L284 V285 I289 S290 V292 F303 H310 V321	L284-F319 HydrophobicContact CB-CE1 4.47Å; L284-F319 HydrophobicContact CB-CZ 4.16Å; V285-F319 HydrophobicContact CG2-CE1 3.73Å; I289-F319 HydrophobicContact CG2-CB 4.06Å; I289-F319 HydrophobicContact CG2-CD1 3.98Å; I289-F319 HydrophobicContact CG2-CD2 3.83Å; I289-F319 HydrophobicContact CG2-CE1 4.29Å; I289-F319 HydrophobicContact CG2-CE2 4.16Å; I289-F319 HydrophobicContact CG2-CG 3.72Å; I289-F319 HydrophobicContact CG2-CZ 4.36Å; I289-F319 WeakPolarHBondContact O-CB 3.49Å; S290-F319 WeakPolarHBondContact O-CA 3.35Å; S290-F319 VanDerWaalsContact O-CB 3.24Å; S290-F319 WeakPolarHBondContact O-CB 3.49Å; V292-F319 HydrophobicContact CB-CE2 4.41Å; V292-F319 HydrophobicContact CG2-CD2 3.77Å; V292-F319 HydrophobicContact CG2-CE2 3.58Å; F303-F319 HydrophobicContact CD1-CE2 4.5Å; F303-F319 AromaticContact CE1-CE2 3.63Å; F303-F319 HydrophobicContact CE1-CE2 3.63Å; F303-F319 AromaticContact CE1-CZ 3.53Å; F303-F319 HydrophobicContact CE1-CZ 3.53Å; F303-F319 AromaticContact CZ-CE2 3.7Å; F303-F319 HydrophobicContact CZ-CE2 3.7Å; F303-F319 AromaticContact CZ-CZ 3.82Å; F303-F319 HydrophobicContact CZ-CZ 3.82Å; H310-F319 HydrophobicContact CB-CD1 4.43Å; H310-F319 HydrophobicContact CB-CD2 4.11Å; H310-F319 HydrophobicContact CB-CE1 4.1Å; H310-F319 HydrophobicContact CB-CE2 3.76Å; H310-F319 HydrophobicContact CB-CG 4.45Å; H310-F319 HydrophobicContact CB-CZ 3.77Å; F319-V321 HydrophobicContact CD2-CG2 3.72Å; F319-V321 HydrophobicContact CE2-CG2 3.47Å; F319-V321 VanDerWaalsContact CE2-CG2 3.47Å
320	E	95.4	Very high	94.5	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.472	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142.6	-179.2	-56.5	177.8	112.4	0	0	110.3	S290 R291 V292 F322	S290-E320 PolarHBondContact O-N 3.05Å; R291-E320 CarbonylContact C-O 3.59Å; R291-E320 VanDerWaalsContact CA-O 3.25Å; R291-E320 WeakPolarHBondContact CA-O 3.49Å; R291-E320 WeakPolarHBondContact CD-OE2 3.49Å; R291-E320 HydrophobicContact CG-CB 4.19Å; V292-E320 PolarHBondContact N-O 2.98Å; E320-F322 HydrophobicContact CB-CD2 4.48Å; E320-F322 HydrophobicContact CB-CE2 3.58Å; E320-F322 HydrophobicContact CB-CZ 3.93Å
321	V	97.3	Very high	94.6	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.1	176.3	-175.3	0	0	0	0	109.8	V23 V292 Y294 F303 H310 F319	V23-V321 HydrophobicContact CB-CB 4.19Å; V23-V321 HydrophobicContact CB-CG1 4.24Å; V23-V321 HydrophobicContact CG2-CB 4.3Å; V23-V321 HydrophobicContact CG2-CG1 3.85Å; V23-V321 PolarHBondContact N-O 3.31Å; V292-V321 HydrophobicContact CB-CG1 4.45Å; V292-V321 HydrophobicContact CB-CG2 4.3Å; V292-V321 CarbonylContact O-C 3.39Å; V292-V321 WeakPolarHBondContact O-CA 3.34Å; Y294-V321 HydrophobicContact CD1-CG1 3.93Å; Y294-V321 HydrophobicContact CE1-CG1 3.78Å; F303-V321 HydrophobicContact CB-CG1 3.83Å; F303-V321 HydrophobicContact CD1-CG2 3.9Å; F303-V321 HydrophobicContact CD2-CG1 3.72Å; F303-V321 HydrophobicContact CD2-CG2 4.26Å; F303-V321 HydrophobicContact CE1-CG2 4.13Å; F303-V321 HydrophobicContact CE2-CG1 4.4Å; F303-V321 HydrophobicContact CE2-CG2 4.44Å; F303-V321 HydrophobicContact CG-CB 4.43Å; F303-V321 HydrophobicContact CG-CG1 3.8Å; F303-V321 HydrophobicContact CG-CG2 3.99Å; F303-V321 HydrophobicContact CZ-CG2 4.39Å; H310-V321 HydrophobicContact CB-CG2 3.78Å; H310-V321 VanDerWaalsContact CD2-CG2 3.4Å; H310-V321 WeakPolarHBondContact CD2-CG2 3.44Å; H310-V321 VanDerWaalsContact CG-CG2 3.43Å; F319-V321 HydrophobicContact CD2-CG2 3.72Å; F319-V321 HydrophobicContact CE2-CG2 3.47Å; F319-V321 VanDerWaalsContact CE2-CG2 3.47Å
322	F	96.3	Very high	94.6	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.8	179.6	-59.7	-81.3	0	0	0	110.5	V20 L21 P22 L160 F161 R291 V292 F293 Y294 E320	V20-F322 HydrophobicContact CG1-CB 3.58Å; V20-F322 HydrophobicContact CG1-CD1 4.09Å; V20-F322 HydrophobicContact CG1-CG 4.07Å; L21-F322 CarbonylContact O-C 3.59Å; L21-F322 VanDerWaalsContact O-CA 3.29Å; L21-F322 WeakPolarHBondContact O-CA 3.33Å; P22-F322 HydrophobicContact CB-CD1 4.24Å; P22-F322 HydrophobicContact CB-CE1 4.09Å; L160-F322 HydrophobicContact CD2-CD1 4.38Å; L160-F322 HydrophobicContact CD2-CE1 3.31Å; L160-F322 HydrophobicContact CD2-CZ 3.59Å; F161-F322 AromaticContact CE2-CD1 3.82Å; F161-F322 HydrophobicContact CE2-CD1 3.82Å; F161-F322 AromaticContact CE2-CE1 3.88Å; F161-F322 HydrophobicContact CE2-CE1 3.88Å; F161-F322 HydrophobicContact CE2-CG 4.23Å; F161-F322 HydrophobicContact CE2-CZ 4.32Å; F161-F322 HydrophobicContact CZ-CD1 4Å; F161-F322 HydrophobicContact CZ-CD2 4.16Å; F161-F322 AromaticContact CZ-CE1 3.78Å; F161-F322 HydrophobicContact CZ-CE1 3.78Å; F161-F322 AromaticContact CZ-CE2 3.92Å; F161-F322 HydrophobicContact CZ-CE2 3.92Å; F161-F322 HydrophobicContact CZ-CG 4.19Å; F161-F322 AromaticContact CZ-CZ 3.74Å; F161-F322 HydrophobicContact CZ-CZ 3.74Å; R291-F322 HydrophobicContact CB-CE2 4.49Å; V292-F322 PolarHBondContact O-N 3.12Å; F293-F322 WeakPolarHBondContact CA-O 3.27Å; F293-F322 HydrophobicContact CD1-CB 3.56Å; F293-F322 AromaticContact CD1-CD2 3.9Å; F293-F322 HydrophobicContact CD1-CD2 3.9Å; F293-F322 AromaticContact CD1-CG 4Å; F293-F322 HydrophobicContact CD1-CG 4Å; F293-F322 HydrophobicContact CE1-CB 3.8Å; F293-F322 AromaticContact CE1-CD2 3.35Å; F293-F322 HydrophobicContact CE1-CD2 3.35Å; F293-F322 HydrophobicContact CE1-CE2 4.12Å; F293-F322 AromaticContact CE1-CG 3.68Å; F293-F322 HydrophobicContact CE1-CG 3.68Å; F293-F322 HydrophobicContact CE2-CD2 4.44Å; F293-F322 HydrophobicContact CG-CB 4.42Å; F293-F322 AromaticContact CZ-CD2 3.68Å; F293-F322 HydrophobicContact CZ-CD2 3.68Å; F293-F322 HydrophobicContact CZ-CE2 4.11Å; F293-F322 HydrophobicContact CZ-CG 4.44Å; Y294-F322 WeakPolarHBondContact CD1-O 3.41Å; Y294-F322 PolarHBondContact N-O 3.37Å; E320-F322 HydrophobicContact CB-CD2 4.48Å; E320-F322 HydrophobicContact CB-CE2 3.58Å; E320-F322 HydrophobicContact CB-CZ 3.93Å
323	K	95.7	Very high	94.6	Very high	87 Å²	87	54.4 Å²	54.4	38%	0.378	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159	-178.9	69.3	175.8	179.2	176.8	0	111.9	V20 L21 V23 Y294	V20-K323 WeakPolarHBondContact CA-O 3.49Å; L21-K323 HydrophobicContact CB-CG 4.34Å; L21-K323 PolarHBondContact N-O 3.3Å; L21-K323 PolarHBondContact O-N 3.4Å; V23-K323 HydrophobicContact CG2-CB 4.01Å; V23-K323 HydrophobicContact CG2-CD 4.17Å; V23-K323 HydrophobicContact CG2-CG 4.1Å; Y294-K323 HydrophobicContact CD1-CB 4.29Å; Y294-K323 HydrophobicContact CD2-CB 4.34Å; Y294-K323 HydrophobicContact CE1-CB 3.64Å; Y294-K323 HydrophobicContact CE2-CB 3.69Å; Y294-K323 CarbonylContact O-C 3.51Å; Y294-K323 WeakPolarHBondContact O-CA 3.36Å; Y294-K323 WeakPolarHBondContact OH-CB 3.26Å
324	G	94.3	Very high	94.2	Very high	14 Å²	14	51.3 Å²	51.3	14%	0.144	26%	0.261	C	S	.	.			trans	97.3	2.1	170.4	0	0	0	0	0	115	W18 Y294 M326 V327	W18-G324 WeakPolarHBondContact CB-O 3.42Å; Y294-G324 PolarHBondContact O-N 3.03Å; G324-M326 PolarHBondContact O-N 3.25Å; G324-M326 VanDerWaalsContact O-N 3.11Å; G324-V327 PolarHBondContact O-N 3.3Å
325	V	95.6	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	114	179.9	-175.7	0	0	0	0	109.8	W18 V20 M169 M173 F293 Y294 G295 V327	W18-V325 HydrophobicContact CE3-CB 4.41Å; W18-V325 HydrophobicContact CE3-CG1 4.32Å; W18-V325 HydrophobicContact CH2-CG1 4.27Å; W18-V325 HydrophobicContact CZ3-CB 4.25Å; W18-V325 HydrophobicContact CZ3-CG1 3.88Å; W18-V325 HydrophobicContact CZ3-CG2 4.15Å; V20-V325 HydrophobicContact CG1-CG2 4.24Å; V20-V325 HydrophobicContact CG2-CG2 3.93Å; M169-V325 HydrophobicContact CB-CG1 4.24Å; M173-V325 HydrophobicContact CB-CG1 3.83Å; M173-V325 HydrophobicContact CE-CB 3.9Å; M173-V325 HydrophobicContact CE-CG1 4.02Å; M173-V325 HydrophobicContact CG-CG1 4.09Å; F293-V325 HydrophobicContact CB-CG2 4.05Å; F293-V325 HydrophobicContact CD1-CG2 4.13Å; Y294-V325 PolarHBondContact O-N 3.19Å; G295-V325 WeakPolarHBondContact CA-O 3.48Å; V325-V327 VanDerWaalsContact C-N 3.25Å; V325-V327 PolarHBondContact O-N 2.77Å
326	M	96.2	Very high	91.2	Very high	29 Å²	29	57.5 Å²	57.5	14%	0.143	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	-175.7	-58.7	-177.6	62.7	0	0	113.2	R170 M173 C174 G324 N328 A329 C330	R170-M326 HydrophobicContact CB-SD 4.4Å; R170-M326 HydrophobicContact CG-CE 4.46Å; R170-M326 HydrophobicContact CG-CG 4.25Å; R170-M326 HydrophobicContact CG-SD 3.67Å; M173-M326 HydrophobicContact CB-CG 4.25Å; M173-M326 HydrophobicContact CB-SD 3.69Å; M173-M326 HydrophobicContact CG-CB 3.94Å; M173-M326 HydrophobicContact CG-CG 4.12Å; M173-M326 HydrophobicContact CG-SD 3.86Å; C174-M326 VanDerWaalsContact SG-CE 3.56Å; G324-M326 PolarHBondContact O-N 3.25Å; G324-M326 VanDerWaalsContact O-N 3.11Å; M326-N328 VanDerWaalsContact C-N 3.34Å; M326-N328 PolarHBondContact O-N 3.04Å; M326-A329 HydrophobicContact CB-CB 4.46Å; M326-A329 HydrophobicContact CE-CB 4.16Å; M326-A329 PolarHBondContact O-N 3.25Å; M326-C330 PolarHBondContact O-N 3.06Å; M326-C330 VanDerWaalsContact O-N 3.1Å; M326-C330 PolarHBondContact O-SG 2.68Å; M326-C330 VanDerWaalsContact O-SG 3.33Å
327	V	95.6	Very high	91.3	Very high	38 Å²	38	53.6 Å²	53.6	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-51.7	-47.2	-172.5	63	0	0	0	0	113.3	G324 V325 A329 C330 E331	G324-V327 PolarHBondContact O-N 3.3Å; V325-V327 VanDerWaalsContact C-N 3.25Å; V325-V327 PolarHBondContact O-N 2.77Å; V327-A329 PolarHBondContact O-N 3.18Å; V327-C330 CarbonylContact O-C 3.59Å; V327-C330 WeakPolarHBondContact O-CB 3.48Å; V327-C330 PolarHBondContact O-N 3.02Å; V327-C330 VanDerWaalsContact O-N 3.09Å; V327-E331 HydrophobicContact CG2-CG 4.12Å; V327-E331 WeakPolarHBondContact O-CG 3.42Å; V327-E331 PolarHBondContact O-N 2.77Å
328	N	95	Very high	91.1	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.353	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-49.4	-178.1	-63.7	-22.2	0	0	0	111.9	Y14 M326 C330 E331 D332	Y14-N328 HydrophobicContact CD1-CB 3.58Å; Y14-N328 HydrophobicContact CE1-CB 3.67Å; M326-N328 VanDerWaalsContact C-N 3.34Å; M326-N328 PolarHBondContact O-N 3.04Å; N328-C330 PolarHBondContact O-N 2.51Å; N328-E331 PolarHBondContact O-N 2.81Å; N328-D332 VanDerWaalsContact O-CG 3.27Å; N328-D332 PolarHBondContact O-N 2.74Å
329	A	95.4	Very high	91	Very high	10 Å²	10	49.4 Å²	49.4	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-31.9	178	0	0	0	0	0	112.5	Y14 M326 V327	Y14-A329 HydrophobicContact CD1-CB 4.35Å; Y14-A329 HydrophobicContact CD2-CB 4.27Å; Y14-A329 HydrophobicContact CE1-CB 4.15Å; Y14-A329 HydrophobicContact CE2-CB 4.05Å; Y14-A329 HydrophobicContact CG-CB 4.4Å; M326-A329 HydrophobicContact CB-CB 4.46Å; M326-A329 HydrophobicContact CE-CB 4.16Å; M326-A329 PolarHBondContact O-N 3.25Å; V327-A329 PolarHBondContact O-N 3.18Å
330	C	96.5	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-78	-35.6	177.6	-66.7	0	0	0	0	113.1	T273 A296 M326 V327 N328 D332 L333 C334	T273-C330 VanDerWaalsContact O-CB 3.26Å; T273-C330 WeakPolarHBondContact O-CB 3.36Å; A296-C330 HydrophobicContact CB-CB 3.9Å; M326-C330 PolarHBondContact O-N 3.06Å; M326-C330 VanDerWaalsContact O-N 3.1Å; M326-C330 PolarHBondContact O-SG 2.68Å; M326-C330 VanDerWaalsContact O-SG 3.33Å; V327-C330 CarbonylContact O-C 3.59Å; V327-C330 WeakPolarHBondContact O-CB 3.48Å; V327-C330 PolarHBondContact O-N 3.02Å; V327-C330 VanDerWaalsContact O-N 3.09Å; N328-C330 PolarHBondContact O-N 2.51Å; C330-D332 VanDerWaalsContact C-N 3.35Å; C330-L333 WeakPolarHBondContact O-CB 3.47Å; C330-L333 PolarHBondContact O-N 2.69Å; C330-C334 PolarHBondContact O-SG 3.37Å; C330-C334 VanDerWaalsContact O-SG 3.4Å
331	E	95	Very high	90.4	Very high	77 Å²	77	48.5 Å²	48.5	36%	0.36	25%	0.246	S	C	.	.	H	α-helix	trans	-68.8	-35.2	175.8	-75.6	-175.9	173.4	0	0	111.8	A296 V327 N328 L333 C334 K335	A296-E331 HydrophobicContact CB-CG 3.85Å; V327-E331 HydrophobicContact CG2-CG 4.12Å; V327-E331 WeakPolarHBondContact O-CG 3.42Å; V327-E331 PolarHBondContact O-N 2.77Å; N328-E331 PolarHBondContact O-N 2.81Å; E331-L333 PolarHBondContact O-N 3.09Å; E331-C334 WeakPolarHBondContact O-CA 3.26Å; E331-C334 VanDerWaalsContact O-CB 3.28Å; E331-C334 WeakPolarHBondContact O-CB 3.17Å; E331-C334 PolarHBondContact O-N 3.06Å; E331-K335 PolarHBondContact O-N 3.11Å
332	D	94.8	Very high	90	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-68.4	-26.3	177.9	-65.9	-21	0	0	0	112.2	Y14 N328 C330 C334 K335	Y14-D332 VanDerWaalsContact CE1-OD2 3.26Å; Y14-D332 WeakPolarHBondContact CE1-OD2 3.49Å; Y14-D332 VanDerWaalsContact CZ-OD2 3.27Å; Y14-D332 WeakPolarHBondContact OH-CB 3.28Å; Y14-D332 PolarHBondContact OH-OD2 3.33Å; N328-D332 VanDerWaalsContact O-CG 3.27Å; N328-D332 PolarHBondContact O-N 2.74Å; C330-D332 VanDerWaalsContact C-N 3.35Å; D332-C334 PolarHBondContact O-N 3.24Å; D332-K335 PolarHBondContact O-N 3.2Å; D332-K335 IonicContact OD1-NZ 2.7Å; D332-K335 PolarHBondContact OD1-NZ 3.38Å
333	L	93.8	Very high	89.5	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.2	166.5	-64.1	172.3	0	0	0	113.3	V177 A180 K181 R184 A190 T273 C330 E331	V177-L333 HydrophobicContact CB-CD1 4.47Å; V177-L333 HydrophobicContact CG1-CD1 4.27Å; V177-L333 HydrophobicContact CG2-CD1 4.17Å; A180-L333 HydrophobicContact CB-CD1 3.77Å; A180-L333 HydrophobicContact CB-CD2 4.42Å; K181-L333 HydrophobicContact CG-CD2 3.88Å; R184-L333 PolarHBondContact NH2-O 3.32Å; A190-L333 HydrophobicContact CB-CB 4.17Å; A190-L333 HydrophobicContact CB-CD2 4.36Å; A190-L333 WeakPolarHBondContact CB-O 3.47Å; T273-L333 HydrophobicContact CG2-CD1 3.89Å; C330-L333 WeakPolarHBondContact O-CB 3.47Å; C330-L333 PolarHBondContact O-N 2.69Å; E331-L333 PolarHBondContact O-N 3.09Å
334	C	81.8	Confident	89.1	Confident	57 Å²	57	52.5 Å²	52.5	39%	0.385	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-16.1	-178.5	-55.3	0	0	0	0	113.5	R274 C330 E331 D332	R274-C334 PolarHBondContact NE-SG 3.23Å; R274-C334 VanDerWaalsContact NE-SG 3.36Å; R274-C334 PolarHBondContact NH2-SG 3.26Å; C330-C334 PolarHBondContact O-SG 3.37Å; C330-C334 VanDerWaalsContact O-SG 3.4Å; E331-C334 WeakPolarHBondContact O-CA 3.26Å; E331-C334 VanDerWaalsContact O-CB 3.28Å; E331-C334 WeakPolarHBondContact O-CB 3.17Å; E331-C334 PolarHBondContact O-N 3.06Å; D332-C334 PolarHBondContact O-N 3.24Å
335	K	76.8	Confident	88.6	Confident	146 Å²	146	55.7 Å²	55.7	64%	0.635	28%	0.281	S	S	*	.			trans	-91.2	-7.6	-173.6	-66	171.6	-167.2	156.3	0	114.2	E331 D332	E331-K335 PolarHBondContact O-N 3.11Å; D332-K335 PolarHBondContact O-N 3.2Å; D332-K335 IonicContact OD1-NZ 2.7Å; D332-K335 PolarHBondContact OD1-NZ 3.38Å
336	E	47.1	Very low	88	Confident	187 Å²	187	60.7 Å²	60.7	87%	0.874	31%	0.307	S	S	*	.			trans	-123	0	-177.7	-60.9	175.7	159.6	0	0	111.4	R184	R184-E336 IonicContact CZ-OE2 2.74Å; R184-E336 IonicContact NH1-OE2 2.69Å; R184-E336 PolarHBondContact NH1-OE2 3.39Å; R184-E336 IonicContact NH2-OE2 2.89Å; R184-E336 PolarHBondContact NH2-OXT 3.5Å; R184-E336 VanDerWaalsContact NH2-OXT 3.07Å

Retrieved 336 of 336 residues in 213.4 ms (Link to these results)

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