G4VG42_SCHMA Loading...

Dipeptidyl peptidase 1

Thiol protease. Has dipeptidylpeptidase activity. Active against a broad range of dipeptide substrates composed of both polar and hydrophobic amino acids. Proline cannot occupy the P1 position and arginine cannot occupy the P2 position of the substrate. Can act as both an exopeptidase and endopeptidase. Activates serine proteases such as elastase, cathepsin G and granzymes A and B.

AlphaFold DB , UniProt , Accession G4VG42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 455 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	33.7	Very low	226 Å²	226	155.4 Å²	155.4	100%	1.113	76%	0.762	S	S	*	*				0	112.9	0	-88.5	165.6	72.9	0	0	107.6	W3	M1-W3 PolarHBondContact O-N 2.88Å
2	H	32.2	Very low	34.3	Very low	187 Å²	187	149 Å²	149	87%	0.866	73%	0.733	S	S	*	*			trans	-70.1	122.3	-175.2	-70.7	-83	0	0	0	110.6	V4	H2-V4 PolarHBondContact O-N 3.2Å
3	W	31.2	Very low	34.4	Very low	238 Å²	238	141.2 Å²	141.2	90%	0.902	71%	0.707	S	S	*	*			trans	-75.4	97.8	172.9	-69.2	83	0	0	0	108.6	M1 F5	M1-W3 PolarHBondContact O-N 2.88Å; W3-F5 PolarHBondContact O-N 3.29Å
4	V	33	Very low	34.7	Very low	108 Å²	108	140.4 Å²	140.4	66%	0.655	72%	0.719	S	S	*	*			trans	-76.6	101.3	174	180	0	0	0	0	108	H2 H6	H2-V4 PolarHBondContact O-N 3.2Å; V4-H6 PolarHBondContact O-N 2.95Å; V4-H6 PolarHBondContact O-ND1 3.36Å; V4-H6 VanDerWaalsContact O-ND1 3.12Å
5	F	30.2	Very low	35.1	Very low	192 Å²	192	133.4 Å²	133.4	84%	0.842	68%	0.683	S	S	*	*			trans	-54.6	99.6	169	-84	-94.3	0	0	0	109.8	W3 C7	W3-F5 PolarHBondContact O-N 3.29Å; F5-C7 PolarHBondContact O-N 3.41Å; F5-C7 VanDerWaalsContact O-N 3.13Å
6	H	29.1	Very low	35.4	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.718	69%	0.687	S	S	*	*			trans	-80	88.6	168.2	-80.4	58.9	0	0	0	108	V4 I8	V4-H6 PolarHBondContact O-N 2.95Å; V4-H6 PolarHBondContact O-ND1 3.36Å; V4-H6 VanDerWaalsContact O-ND1 3.12Å; H6-I8 PolarHBondContact O-N 3.46Å
7	C	31	Very low	36	Very low	109 Å²	109	132.9 Å²	132.9	74%	0.736	66%	0.663	S	S	*	*			trans	-61.6	103.7	156.5	-78.9	0	0	0	0	106.8	F5 L9	F5-C7 PolarHBondContact O-N 3.41Å; F5-C7 VanDerWaalsContact O-N 3.13Å; C7-L9 VanDerWaalsContact C-N 3.27Å; C7-L9 PolarHBondContact O-N 2.94Å
8	I	32.6	Very low	36.5	Very low	151 Å²	151	126.1 Å²	126.1	77%	0.774	63%	0.629	S	S	*	*			trans	-67.1	93.7	175	-63.6	175	0	0	0	106.6	H6 I10	H6-I8 PolarHBondContact O-N 3.46Å; I8-I10 PolarHBondContact O-N 3.32Å
9	L	35	Very low	37.2	Very low	139 Å²	139	120.8 Å²	120.8	73%	0.728	61%	0.605	S	S	*	*			trans	-59.9	101.3	171.3	-88.2	148.7	0	0	0	108.5	C7 I11	C7-L9 VanDerWaalsContact C-N 3.27Å; C7-L9 PolarHBondContact O-N 2.94Å; L9-I11 PolarHBondContact O-N 3.13Å
10	I	41.6	Very low	37.9	Very low	76 Å²	76	114.9 Å²	114.9	39%	0.39	58%	0.576	S	S	.	*			trans	-59.3	121	176.4	-64.1	176.1	0	0	0	108.2	I8 L12	I8-I10 PolarHBondContact O-N 3.32Å; I10-L12 PolarHBondContact O-N 2.99Å
11	I	37.9	Very low	38.6	Very low	128 Å²	128	109.7 Å²	109.7	66%	0.656	55%	0.55	S	S	*	.			trans	-68.5	98.2	176.6	-59.6	174.7	0	0	0	107.3	L9 A13	L9-I11 PolarHBondContact O-N 3.13Å; I11-A13 HydrophobicContact CG2-CB 3.59Å; I11-A13 PolarHBondContact O-N 3.24Å
12	L	41	Very low	40.1	Very low	79 Å²	79	99 Å²	99	41%	0.414	50%	0.497	S	S	.	.			trans	-68	68.9	163.1	-84.2	154.1	0	0	0	109	I10 L15	I10-L12 PolarHBondContact O-N 2.99Å; L12-L15 HydrophobicContact CD2-CD1 3.93Å
13	A	36.2	Very low	42	Very low	48 Å²	48	90.8 Å²	90.8	40%	0.397	46%	0.461	S	S	.	.			trans	-99.2	107.9	171.4	0	0	0	0	0	108.9	I11 L15	I11-A13 HydrophobicContact CG2-CB 3.59Å; I11-A13 PolarHBondContact O-N 3.24Å; A13-L15 PolarHBondContact O-N 2.64Å
14	C	37.9	Very low	44.3	Very low	130 Å²	130	79.5 Å²	79.5	88%	0.878	42%	0.418	S	S	*	.			trans	39.3	69.2	161.6	-59.2	0	0	0	0	114.8	R16	C14-R16 PolarHBondContact O-N 3.14Å
15	L	40.9	Very low	46.7	Very low	35 Å²	35	76.3 Å²	76.3	18%	0.183	40%	0.397	C	S	.	.			trans	-60.6	116.5	169.8	-69.2	157.6	0	0	0	108.4	L12 A13 F17 W114 P283	L12-L15 HydrophobicContact CD2-CD1 3.93Å; A13-L15 PolarHBondContact O-N 2.64Å; L15-F17 PolarHBondContact O-N 2.76Å; L15-W114 HydrophobicContact CD2-CH2 4.13Å; L15-W114 HydrophobicContact CD2-CZ2 4.33Å; L15-P283 HydrophobicContact CB-CB 4.36Å; L15-P283 HydrophobicContact CD1-CB 3.94Å; L15-P283 HydrophobicContact CD1-CG 3.91Å; L15-P283 HydrophobicContact CD2-CB 4.19Å; L15-P283 HydrophobicContact CG-CB 4.38Å
16	R	39.7	Very low	49.4	Very low	197 Å²	197	67.2 Å²	67.2	74%	0.743	36%	0.358	S	S	*	.			trans	-82.5	109.1	154.4	-80.3	-159.4	-179.3	-171.8	1.2	106.4	C14	C14-R16 PolarHBondContact O-N 3.14Å
17	F	45.4	Very low	52.1	Low	62 Å²	62	62.1 Å²	62.1	27%	0.272	34%	0.337	S	S	.	.			trans	-45.2	142	-168.1	-52.7	-83	0	0	0	115.1	L15 S282	L15-F17 PolarHBondContact O-N 2.76Å; F17-S282 WeakPolarHBondContact CD1-O 3.37Å
18	T	45.4	Very low	54.9	Low	10 Å²	10	57.9 Å²	57.9	6%	0.061	31%	0.306	C	S	.	.			trans	-81.7	124.6	157.1	60.8	0	0	0	0	107.1	M113 W114 P283 Y284	T18-M113 HydrophobicContact CG2-CE 3.62Å; T18-M113 HydrophobicContact CG2-SD 3.3Å; T18-M113 WeakPolarHBondContact CG2-SD 3.41Å; T18-W114 HydrophobicContact CG2-CE3 4.38Å; T18-W114 HydrophobicContact CG2-CH2 4.33Å; T18-W114 HydrophobicContact CG2-CZ3 3.57Å; T18-P283 CarbonylContact C-O 3.52Å; T18-P283 VanDerWaalsContact CA-O 3.22Å; T18-P283 WeakPolarHBondContact CA-O 3.49Å; T18-P283 VanDerWaalsContact CB-O 3.3Å; T18-P283 WeakPolarHBondContact CB-O 3.47Å; T18-P283 PolarHBondContact N-O 3.07Å; T18-P283 PolarHBondContact OG1-O 2.85Å; T18-Y284 WeakPolarHBondContact OG1-CD1 3.4Å
19	C	50.2	Low	57.6	Low	26 Å²	26	56.4 Å²	56.4	18%	0.176	30%	0.296	C	S	.	.			trans	-80	142.2	-172.3	-68.2	0	0	0	0	109.7	T22 Y99 E286	C19-T22 HydrophobicContact CB-CG2 3.48Å; C19-T22 VanDerWaalsContact CB-CG2 3.48Å; C19-T22 WeakPolarHBondContact O-CG2 3.3Å; C19-Y99 HydrophobicContact CB-CE1 3.89Å; C19-Y99 HydrophobicContact CB-CE2 4.16Å; C19-Y99 VanDerWaalsContact CB-CZ 3.41Å; C19-Y99 WeakPolarHBondContact CB-OH 3.17Å; C19-Y99 PolarHBondContact SG-OH 2.72Å; C19-E286 HydrophobicContact CB-CG 3.81Å; C19-E286 WeakPolarHBondContact CB-OE1 3.02Å
20	A	50.9	Low	60.3	Low	1 Å²	1	52.1 Å²	52.1	1%	0.008	27%	0.273	C	S	.	.	S	Bend	trans	-109.4	-47.5	-177.9	0	0	0	0	0	111.6	T22 Q82 Y284 E286 F292 L295	A20-T22 PolarHBondContact O-N 3.31Å; A20-T22 VanDerWaalsContact O-N 3.09Å; A20-Q82 WeakPolarHBondContact O-CB 3.38Å; A20-Q82 WeakPolarHBondContact O-CG 3.32Å; A20-Q82 PolarHBondContact O-OE1 3.3Å; A20-Y284 VanDerWaalsContact CB-O 3.31Å; A20-Y284 WeakPolarHBondContact CB-O 3.37Å; A20-E286 PolarHBondContact N-OE1 3.22Å; A20-F292 HydrophobicContact CB-CD2 4.1Å; A20-F292 HydrophobicContact CB-CE2 4.42Å; A20-F292 VanDerWaalsContact O-CE2 3.31Å; A20-F292 WeakPolarHBondContact O-CE2 3.23Å; A20-L295 HydrophobicContact CB-CD1 3.86Å
21	D	52.3	Low	62.7	Low	7 Å²	7	48.5 Å²	48.5	4%	0.037	26%	0.255	C	S	.	.	S	Bend	trans	-88.7	57.2	172.7	-157.1	25.7	0	0	0	109.7	K194 S195 E286	D21-K194 HydrophobicContact CB-CB 4.39Å; D21-K194 WeakPolarHBondContact O-CB 3.45Å; D21-K194 WeakPolarHBondContact O-CD 3.12Å; D21-S195 VanDerWaalsContact OD1-CB 3.28Å; D21-S195 WeakPolarHBondContact OD1-CB 3.5Å; D21-S195 PolarHBondContact OD1-N 3.04Å; D21-E286 WeakPolarHBondContact CA-OE1 3.24Å; D21-E286 PolarHBondContact N-OE1 2.88Å
22	T	68.6	Low	65.4	Low	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.			trans	-74	163.7	-173.1	85.3	0	0	0	0	109.6	C19 A20 A24 Q82 I96 Y99 E286	C19-T22 HydrophobicContact CB-CG2 3.48Å; C19-T22 VanDerWaalsContact CB-CG2 3.48Å; C19-T22 WeakPolarHBondContact O-CG2 3.3Å; A20-T22 PolarHBondContact O-N 3.31Å; A20-T22 VanDerWaalsContact O-N 3.09Å; T22-A24 PolarHBondContact O-N 3.17Å; T22-A24 WeakPolarHBondContact OG1-CA 3.48Å; T22-A24 WeakPolarHBondContact OG1-CB 3.18Å; T22-A24 PolarHBondContact OG1-N 3.26Å; T22-Q82 VanDerWaalsContact CB-OE1 3.27Å; T22-Q82 PolarHBondContact O-NE2 3.17Å; T22-Q82 PolarHBondContact O-OE1 2.82Å; T22-Q82 PolarHBondContact OG1-OE1 3.12Å; T22-I96 HydrophobicContact CG2-CG2 4.22Å; T22-Y99 HydrophobicContact CG2-CD1 3.85Å; T22-Y99 HydrophobicContact CG2-CE1 3.63Å; T22-E286 PolarHBondContact N-OE1 3.13Å
23	P	72.4	Confident	68	Low	16 Å²	16	42.4 Å²	42.4	10%	0.104	23%	0.227	C	C	.	.	S	Bend	trans	-64.4	-5.1	169.7	30.8	-38.4	0	0	0	112.8	N25 Y99 F105 N140	P23-N25 PolarHBondContact O-N 2.79Å; P23-Y99 HydrophobicContact CG-CD2 3.91Å; P23-Y99 HydrophobicContact CG-CG 4.01Å; P23-F105 WeakPolarHBondContact O-CD1 3.45Å; P23-N140 PolarHBondContact O-ND2 2.76Å
24	A	79	Confident	71	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.			trans	-57.9	131.6	173.8	0	0	0	0	0	110.6	T22 N81 F97 F105	T22-A24 PolarHBondContact O-N 3.17Å; T22-A24 WeakPolarHBondContact OG1-CA 3.48Å; T22-A24 WeakPolarHBondContact OG1-CB 3.18Å; T22-A24 PolarHBondContact OG1-N 3.26Å; A24-N81 PolarHBondContact O-ND2 3.37Å; A24-F97 HydrophobicContact CB-CB 3.95Å; A24-F105 HydrophobicContact CB-CB 4.06Å; A24-F105 HydrophobicContact CB-CD2 4.35Å; A24-F105 HydrophobicContact CB-CG 4.41Å
25	N	83.3	Confident	73.8	Confident	42 Å²	42	40.5 Å²	40.5	23%	0.225	19%	0.191	C	C	.	.			trans	-135.5	76.1	178	178.5	-2.4	0	0	0	107.6	P23 F105 V197	P23-N25 PolarHBondContact O-N 2.79Å; N25-F105 HydrophobicContact CB-CE1 4.3Å; N25-F105 HydrophobicContact CB-CE2 4.14Å; N25-F105 HydrophobicContact CB-CZ 3.8Å; N25-F105 WeakPolarHBondContact O-CE2 3.36Å; N25-V197 HydrophobicContact CB-CG2 4.36Å; N25-V197 VanDerWaalsContact CG-CG2 3.44Å; N25-V197 WeakPolarHBondContact OD1-CG2 3.28Å
26	C	86.6	Confident	76.5	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.007	20%	0.197	C	C	.	.			trans	-113.5	136.1	-173.2	-58.4	0	0	0	0	110.4	D30 N81 F97 C107	C26-D30 HydrophobicContact CB-CB 4.36Å; C26-N81 PolarHBondContact N-O 3.38Å; C26-N81 VanDerWaalsContact N-O 3.11Å; C26-N81 WeakPolarHBondContact O-CA 3.39Å; C26-N81 WeakPolarHBondContact O-CB 3.5Å; C26-F97 HydrophobicContact CB-CD2 3.4Å; C26-F97 VanDerWaalsContact CB-CD2 3.4Å; C26-F97 HydrophobicContact CB-CE1 4.43Å; C26-F97 HydrophobicContact CB-CE2 3.29Å; C26-F97 HydrophobicContact CB-CG 4.07Å; C26-F97 HydrophobicContact CB-CZ 3.85Å; C26-F97 WeakPolarHBondContact SG-CD2 3.4Å; C26-C107 WeakPolarHBondContact CA-SG 3.39Å; C26-C107 HydrophobicContact CB-CB 3.62Å; C26-C107 WeakPolarHBondContact CB-SG 3.29Å; C26-C107 WeakPolarHBondContact SG-CA 3.47Å; C26-C107 WeakPolarHBondContact SG-CB 3.22Å; C26-C107 CovalentContact SG-SG 2.03Å; C26-C107 PolarHBondContact SG-SG 3.18Å
27	T	87.1	Confident	79.3	Confident	47 Å²	47	32.9 Å²	32.9	29%	0.288	16%	0.161	S	C	.	.			trans	-91.7	172.8	-179.2	68.4	0	0	0	0	111.8	E29 D30 A31	T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 2.89Å; T27-E29 PolarHBondContact OG1-N 3.22Å; T27-D30 WeakPolarHBondContact CB-OD2 3.46Å; T27-D30 PolarHBondContact N-OD2 3.11Å; T27-D30 WeakPolarHBondContact O-CB 3.32Å; T27-D30 PolarHBondContact O-N 2.82Å; T27-D30 VanDerWaalsContact OG1-CG 3.29Å; T27-D30 PolarHBondContact OG1-N 3.42Å; T27-D30 PolarHBondContact OG1-OD2 2.75Å; T27-A31 PolarHBondContact O-N 3.33Å; T27-A31 VanDerWaalsContact O-N 3.16Å
28	Y	89.2	Confident	81.7	Confident	20 Å²	20	31.8 Å²	31.8	8%	0.078	16%	0.157	C	C	.	.	H	α-helix	trans	-54	-43.9	170.2	-177.8	-88.8	0	0	0	112.4	D30 A31 H32 Y62 P63 W76 L203	Y28-D30 VanDerWaalsContact C-N 3.3Å; Y28-D30 PolarHBondContact O-N 3.08Å; Y28-A31 PolarHBondContact O-N 2.96Å; Y28-A31 VanDerWaalsContact O-N 3.13Å; Y28-H32 HydrophobicContact CD1-CB 4.2Å; Y28-H32 HydrophobicContact CE1-CB 3.91Å; Y28-H32 VanDerWaalsContact O-CB 3.29Å; Y28-H32 WeakPolarHBondContact O-CB 3.36Å; Y28-H32 PolarHBondContact O-N 3.2Å; Y28-Y62 HydrophobicContact CE1-CD2 4.17Å; Y28-Y62 VanDerWaalsContact OH-CA 3.25Å; Y28-Y62 WeakPolarHBondContact OH-CA 3.39Å; Y28-P63 WeakPolarHBondContact CE2-O 3.34Å; Y28-P63 PolarHBondContact OH-O 3.22Å; Y28-W76 AromaticContact CD2-CH2 3.71Å; Y28-W76 HydrophobicContact CD2-CH2 3.71Å; Y28-W76 HydrophobicContact CD2-CZ2 4.31Å; Y28-W76 HydrophobicContact CD2-CZ3 4.45Å; Y28-W76 HydrophobicContact CE1-CH2 4.39Å; Y28-W76 HydrophobicContact CE1-CZ2 4.35Å; Y28-W76 AromaticContact CE2-CH2 3.26Å; Y28-W76 HydrophobicContact CE2-CH2 3.26Å; Y28-W76 AromaticContact CE2-CZ2 3.41Å; Y28-W76 HydrophobicContact CE2-CZ2 3.41Å; Y28-W76 VanDerWaalsContact CE2-CZ2 3.41Å; Y28-W76 HydrophobicContact CE2-CZ3 4.2Å; Y28-W76 HydrophobicContact CG-CH2 4.44Å; Y28-W76 AromaticContact CZ-CH2 3.64Å; Y28-W76 AromaticContact CZ-CZ2 3.43Å; Y28-W76 VanDerWaalsContact CZ-CZ2 3.43Å; Y28-W76 VanDerWaalsContact OH-CZ2 3.24Å; Y28-W76 WeakPolarHBondContact OH-CZ2 3.42Å; Y28-L203 HydrophobicContact CD2-CD1 4.34Å; Y28-L203 HydrophobicContact CG-CD1 4.13Å
29	E	89.6	Confident	84.1	Confident	121 Å²	121	32.4 Å²	32.4	57%	0.565	16%	0.16	S	C	*	.	H	α-helix	trans	-67.8	-31.4	-179.4	-63.7	-57	152.7	0	0	112.4	T27 A31 H32 K130	T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 2.89Å; T27-E29 PolarHBondContact OG1-N 3.22Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3Å; E29-H32 IonicContact OE2-ND1 3.3Å; E29-K130 PolarHBondContact O-NZ 2.81Å; E29-K130 VanDerWaalsContact O-NZ 3.11Å
30	D	90.6	Very high	86.3	Confident	48 Å²	48	31.5 Å²	31.5	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-67.2	-33.9	173.3	-59.2	-54	0	0	0	111.5	C26 T27 Y28 C107 K130	C26-D30 HydrophobicContact CB-CB 4.36Å; T27-D30 WeakPolarHBondContact CB-OD2 3.46Å; T27-D30 PolarHBondContact N-OD2 3.11Å; T27-D30 WeakPolarHBondContact O-CB 3.32Å; T27-D30 PolarHBondContact O-N 2.82Å; T27-D30 VanDerWaalsContact OG1-CG 3.29Å; T27-D30 PolarHBondContact OG1-N 3.42Å; T27-D30 PolarHBondContact OG1-OD2 2.75Å; Y28-D30 VanDerWaalsContact C-N 3.3Å; Y28-D30 PolarHBondContact O-N 3.08Å; D30-C107 HydrophobicContact CB-CB 3.64Å; D30-K130 WeakPolarHBondContact O-CD 3.18Å; D30-K130 PolarHBondContact O-NZ 3.42Å
31	A	93	Very high	88.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-79.3	-43.4	175.1	0	0	0	0	0	112.9	T27 Y28 E29 W35 W76 L78 F84 F97	T27-A31 PolarHBondContact O-N 3.33Å; T27-A31 VanDerWaalsContact O-N 3.16Å; Y28-A31 PolarHBondContact O-N 2.96Å; Y28-A31 VanDerWaalsContact O-N 3.13Å; E29-A31 VanDerWaalsContact C-N 3.3Å; E29-A31 PolarHBondContact O-N 3Å; A31-W35 PolarHBondContact O-NE1 3.19Å; A31-W76 HydrophobicContact CB-CH2 4.16Å; A31-W76 HydrophobicContact CB-CZ3 3.89Å; A31-L78 HydrophobicContact CB-CD1 3.67Å; A31-F84 HydrophobicContact CB-CD1 4.14Å; A31-F97 HydrophobicContact CB-CZ 3.98Å
32	H	93.8	Very high	90.3	Very high	61 Å²	61	41 Å²	41	28%	0.282	20%	0.198	S	C	.	.			trans	-56.6	135.8	-174.4	171.2	-111.8	0	0	0	112.2	Y28 E29 L60 W76 K130	Y28-H32 HydrophobicContact CD1-CB 4.2Å; Y28-H32 HydrophobicContact CE1-CB 3.91Å; Y28-H32 VanDerWaalsContact O-CB 3.29Å; Y28-H32 WeakPolarHBondContact O-CB 3.36Å; Y28-H32 PolarHBondContact O-N 3.2Å; E29-H32 IonicContact OE2-ND1 3.3Å; H32-L60 PolarHBondContact CD2-O 2.97Å; H32-W76 HydrophobicContact CB-CH2 4.49Å; H32-K130 WeakPolarHBondContact O-CE 3.33Å; H32-K130 PolarHBondContact O-NZ 2.84Å
33	G	96.2	Very high	91.3	Very high	19 Å²	19	45.6 Å²	45.6	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.1	-160.5	-178.6	0	0	0	0	0	113.9	L60	G33-L60 PolarHBondContact N-O 2.82Å; G33-L60 WeakPolarHBondContact O-CB 3.46Å; G33-L60 PolarHBondContact O-N 3.44Å
34	R	97.9	Very high	92	Very high	137 Å²	137	47.8 Å²	47.8	52%	0.517	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.1	-172.6	-62.9	-178.6	64.8	-164.6	0.7	111.4	K130 I131	R34-K130 WeakPolarHBondContact O-CA 3.49Å; R34-I131 HydrophobicContact CB-CB 4.23Å; R34-I131 HydrophobicContact CB-CD1 4.24Å; R34-I131 PolarHBondContact O-N 3.28Å
35	W	98.2	Very high	92.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140	178.7	-74	79.5	0	0	0	110.8	A31 F37 V57 I58 F84 F97 C107 H108 A128 E129 K130	A31-W35 PolarHBondContact O-NE1 3.19Å; W35-F37 HydrophobicContact CB-CD2 4.2Å; W35-F37 HydrophobicContact CB-CE2 3.54Å; W35-F37 HydrophobicContact CB-CZ 4.27Å; W35-V57 CarbonylContact O-C 3.45Å; W35-V57 WeakPolarHBondContact O-CA 3.48Å; W35-I58 PolarHBondContact N-O 2.99Å; W35-I58 PolarHBondContact O-N 3.44Å; W35-F84 HydrophobicContact CD2-CE1 4.33Å; W35-F84 AromaticContact CD2-CZ 3.85Å; W35-F84 HydrophobicContact CD2-CZ 3.85Å; W35-F84 AromaticContact CE2-CE1 3.86Å; W35-F84 AromaticContact CE2-CZ 3.79Å; W35-F84 HydrophobicContact CE3-CZ 4.18Å; W35-F84 HydrophobicContact CG-CZ 4.24Å; W35-F84 HydrophobicContact CH2-CE1 4.01Å; W35-F84 HydrophobicContact CH2-CZ 4.4Å; W35-F84 AromaticContact CZ2-CE1 3.71Å; W35-F84 HydrophobicContact CZ2-CE1 3.71Å; W35-F84 HydrophobicContact CZ2-CZ 4.1Å; W35-F84 HydrophobicContact CZ3-CE1 4.45Å; W35-F84 HydrophobicContact CZ3-CZ 4.44Å; W35-F97 HydrophobicContact CH2-CD1 4.29Å; W35-F97 AromaticContact CH2-CE1 3.99Å; W35-F97 HydrophobicContact CH2-CE1 3.99Å; W35-F97 HydrophobicContact CZ2-CE1 4.07Å; W35-C107 VanDerWaalsContact CH2-O 3.27Å; W35-C107 WeakPolarHBondContact CH2-O 3.19Å; W35-C107 WeakPolarHBondContact CZ2-O 3.34Å; W35-H108 VanDerWaalsContact CH2-C 3.46Å; W35-A128 HydrophobicContact CE3-CB 3.9Å; W35-A128 HydrophobicContact CZ3-CB 4.36Å; W35-E129 CarbonylContact C-O 3.37Å; W35-E129 WeakPolarHBondContact CA-O 3.37Å; W35-K130 HydrophobicContact CD2-CB 3.95Å; W35-K130 HydrophobicContact CD2-CG 4.39Å; W35-K130 HydrophobicContact CE3-CB 4.21Å; W35-K130 HydrophobicContact CH2-CB 4.16Å; W35-K130 HydrophobicContact CZ2-CB 3.87Å; W35-K130 HydrophobicContact CZ2-CD 4.17Å; W35-K130 HydrophobicContact CZ2-CG 4.27Å; W35-K130 HydrophobicContact CZ3-CB 4.32Å
36	K	97.5	Very high	92.8	Very high	73 Å²	73	52.1 Å²	52.1	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.4	170.4	-172	171.6	-176.6	175	0	109	S55 V57 A128 E129 I131	K36-S55 VanDerWaalsContact CE-OG 3.29Å; K36-S55 WeakPolarHBondContact CE-OG 3.43Å; K36-V57 HydrophobicContact CB-CG2 4.4Å; K36-V57 HydrophobicContact CG-CG2 4.22Å; K36-A128 VanDerWaalsContact O-CA 3.29Å; K36-A128 WeakPolarHBondContact O-CA 3.29Å; K36-E129 HydrophobicContact CB-CG 4.36Å; K36-E129 PolarHBondContact N-O 2.91Å; K36-E129 PolarHBondContact O-N 3.45Å; K36-I131 HydrophobicContact CB-CD1 4.03Å; K36-I131 HydrophobicContact CB-CG1 4.04Å
37	F	97.4	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.1	177.5	-67.7	-108.4	0	0	0	108.6	W35 S55 V56 I58 F84 V86 W93 V95 F126 A128	W35-F37 HydrophobicContact CB-CD2 4.2Å; W35-F37 HydrophobicContact CB-CE2 3.54Å; W35-F37 HydrophobicContact CB-CZ 4.27Å; F37-S55 CarbonylContact O-C 3.54Å; F37-S55 WeakPolarHBondContact O-CA 3.32Å; F37-S55 VanDerWaalsContact O-CB 3.24Å; F37-S55 WeakPolarHBondContact O-CB 3.44Å; F37-V56 HydrophobicContact CB-CG1 3.77Å; F37-V56 HydrophobicContact CG-CG1 4.37Å; F37-V56 PolarHBondContact N-O 3.35Å; F37-V56 PolarHBondContact O-N 2.93Å; F37-I58 HydrophobicContact CD2-CB 4.34Å; F37-I58 HydrophobicContact CD2-CD1 3.84Å; F37-I58 HydrophobicContact CD2-CG1 4.08Å; F37-I58 HydrophobicContact CE2-CB 3.92Å; F37-I58 HydrophobicContact CE2-CD1 3.72Å; F37-I58 HydrophobicContact CE2-CG1 4.06Å; F37-I58 HydrophobicContact CG-CD1 4.43Å; F37-I58 HydrophobicContact CZ-CD1 4.2Å; F37-F84 HydrophobicContact CZ-CE2 4.18Å; F37-V86 HydrophobicContact CZ-CG2 4.4Å; F37-W93 HydrophobicContact CB-CZ3 4.35Å; F37-W93 HydrophobicContact CD1-CD2 4.14Å; F37-W93 AromaticContact CD1-CE3 3.68Å; F37-W93 HydrophobicContact CD1-CE3 3.68Å; F37-W93 HydrophobicContact CD1-CZ3 4.17Å; F37-W93 HydrophobicContact CE1-CB 4.08Å; F37-W93 HydrophobicContact CE1-CD2 4.37Å; F37-W93 HydrophobicContact CE1-CE3 4.24Å; F37-W93 HydrophobicContact CE1-CG 4.34Å; F37-W93 HydrophobicContact CG-CE3 4.47Å; F37-V95 HydrophobicContact CE1-CG2 3.6Å; F37-V95 HydrophobicContact CZ-CG2 4Å; F37-F126 AromaticContact CD1-CD2 3.58Å; F37-F126 HydrophobicContact CD1-CD2 3.58Å; F37-F126 AromaticContact CD1-CE2 3.51Å; F37-F126 HydrophobicContact CD1-CE2 3.51Å; F37-F126 HydrophobicContact CD1-CZ 4.42Å; F37-F126 HydrophobicContact CE1-CD2 4.22Å; F37-F126 AromaticContact CE1-CE2 3.66Å; F37-F126 HydrophobicContact CE1-CE2 3.66Å; F37-F126 HydrophobicContact CE1-CZ 4.35Å; F37-A128 HydrophobicContact CD1-CB 3.75Å; F37-A128 HydrophobicContact CD2-CB 4.45Å; F37-A128 HydrophobicContact CE1-CB 3.81Å; F37-A128 HydrophobicContact CE2-CB 4.48Å; F37-A128 HydrophobicContact CG-CB 4.07Å; F37-A128 HydrophobicContact CZ-CB 4.18Å
38	H	96.8	Very high	92.9	Very high	39 Å²	39	59.3 Å²	59.3	18%	0.181	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.4	177.1	-60.2	-87.4	0	0	0	109	F126 V127 E129	H38-F126 WeakPolarHBondContact O-CA 3.28Å; H38-F126 WeakPolarHBondContact O-CB 3.2Å; H38-V127 HydrophobicContact CB-CG2 3.95Å; H38-V127 PolarHBondContact N-O 2.64Å; H38-V127 PolarHBondContact O-N 2.86Å; H38-V127 VanDerWaalsContact O-N 3.09Å; H38-E129 IonicContact CD2-OE1 3.96Å; H38-E129 IonicContact CE1-OE1 3.22Å; H38-E129 IonicContact NE2-OE1 3.09Å; H38-E129 PolarHBondContact NE2-OE1 3.24Å
39	I	96.2	Very high	92.8	Very high	23 Å²	23	67.7 Å²	67.7	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	-168.2	-51.1	162.1	0	0	0	109.3	S52 Q54 V56 W93 K124	I39-S52 PolarHBondContact N-OG 2.87Å; I39-S52 WeakPolarHBondContact O-CA 2.93Å; I39-S52 PolarHBondContact O-OG 3.43Å; I39-Q54 HydrophobicContact CB-CB 4.3Å; I39-Q54 HydrophobicContact CD1-CB 4.37Å; I39-Q54 PolarHBondContact N-O 2.88Å; I39-V56 HydrophobicContact CD1-CG1 4.32Å; I39-W93 HydrophobicContact CD1-CH2 3.67Å; I39-W93 HydrophobicContact CD1-CZ3 4.36Å; I39-W93 HydrophobicContact CG1-CH2 3.88Å; I39-W93 HydrophobicContact CG1-CZ3 4.06Å; I39-K124 HydrophobicContact CG2-CB 4.01Å; I39-K124 HydrophobicContact CG2-CD 4.16Å; I39-K124 HydrophobicContact CG2-CG 4.21Å
40	G	94.8	Very high	92.7	Very high	6 Å²	6	63.2 Å²	63.2	6%	0.062	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	176.8	173.4	0	0	0	0	0	112.3	K124 C125	G40-K124 WeakPolarHBondContact O-CD 3.02Å; G40-C125 PolarHBondContact N-O 3.05Å; G40-C125 PolarHBondContact O-N 2.97Å
41	D	94.2	Very high	92.3	Very high	108 Å²	108	67.4 Å²	67.4	58%	0.578	33%	0.326	S	S	*	.			trans	-68.4	152.3	176.4	-66.3	-41.3	0	0	0	112.2	Q43 K124 C125	D41-Q43 PolarHBondContact O-N 3.1Å; D41-K124 IonicContact OD1-NZ 2.71Å; D41-K124 PolarHBondContact OD1-NZ 2.94Å; D41-C125 WeakPolarHBondContact O-CB 3.27Å
42	Y	93.3	Very high	91.6	Very high	99 Å²	99	69.3 Å²	69.3	39%	0.388	34%	0.34	S	S	.	.			trans	-59.7	135.4	178.6	172.6	-102.5	0	0	0	111.5	W114 W123	Y42-W114 AromaticContact CE2-CD1 3.86Å; Y42-W114 AromaticContact CE2-NE1 3.96Å; Y42-W123 WeakPolarHBondContact CB-O 3.3Å; Y42-W123 HydrophobicContact CD2-CB 3.59Å; Y42-W123 HydrophobicContact CE2-CB 4Å; Y42-W123 HydrophobicContact CG-CB 4.27Å
43	Q	90.8	Very high	91	Very high	98 Å²	98	75.2 Å²	75.2	46%	0.458	36%	0.364	S	S	.	.			trans	-138.5	147.8	166.3	-61.3	-175.6	34.1	0	0	107.8	D41 K45 W114 C125	D41-Q43 PolarHBondContact O-N 3.1Å; Q43-K45 WeakPolarHBondContact CB-O 3.18Å; Q43-K45 PolarHBondContact O-N 2.76Å; Q43-K45 VanDerWaalsContact O-N 3.15Å; Q43-W114 PolarHBondContact O-NE1 3.17Å; Q43-C125 PolarHBondContact N-SG 2.76Å; Q43-C125 VanDerWaalsContact N-SG 3.39Å
44	S	86.3	Confident	90.8	Very high	62 Å²	62	80 Å²	80	43%	0.434	38%	0.382	S	S	.	.	S	Bend	trans	-61.8	-20.1	175.4	56.6	0	0	0	0	113	W114	S44-W114 VanDerWaalsContact O-CZ2 3.25Å; S44-W114 WeakPolarHBondContact O-CZ2 3.31Å
45	K	88.1	Confident	90.7	Very high	123 Å²	123	76 Å²	76	54%	0.535	37%	0.374	S	S	.	.	S	Bend	trans	-133.3	109.5	166.8	-174.7	-179.3	-179.3	-173.4	0	108.5	Q43	Q43-K45 WeakPolarHBondContact CB-O 3.18Å; Q43-K45 PolarHBondContact O-N 2.76Å; Q43-K45 VanDerWaalsContact O-N 3.15Å
46	C	91.3	Very high	90.6	Very high	9 Å²	9	76.8 Å²	76.8	6%	0.061	38%	0.379	C	S	.	.			trans	-64.7	130.4	179.9	-64.5	0	0	0	0	111	P112 M113 W114 C125	C46-P112 HydrophobicContact CB-CB 3.74Å; C46-P112 WeakPolarHBondContact O-CB 3.31Å; C46-M113 PolarHBondContact SG-O 3.14Å; C46-W114 PolarHBondContact SG-NE1 3.32Å; C46-C125 WeakPolarHBondContact CA-SG 3.25Å; C46-C125 HydrophobicContact CB-CB 3.65Å; C46-C125 WeakPolarHBondContact CB-SG 3.28Å; C46-C125 WeakPolarHBondContact SG-CA 3.19Å; C46-C125 WeakPolarHBondContact SG-CB 3.5Å; C46-C125 CovalentContact SG-SG 2.04Å; C46-C125 PolarHBondContact SG-SG 3.33Å
47	P	90.5	Very high	90.7	Very high	39 Å²	39	74 Å²	74	25%	0.253	37%	0.368	S	S	.	.			trans	-76.8	151.1	178.8	31.4	-35.8	0	0	0	111.4	K49 L50	P47-K49 VanDerWaalsContact C-N 3.3Å; P47-K49 PolarHBondContact O-N 3.2Å; P47-L50 HydrophobicContact CG-CD2 3.77Å; P47-L50 HydrophobicContact CG-CG 4.47Å
48	E	85.5	Confident	90.7	Very high	161 Å²	161	74 Å²	74	75%	0.752	37%	0.369	S	S	*	.	S	Bend	trans	-59.5	-40.1	172.8	-71	180	-174.3	0	0	113	P112	E48-P112 HydrophobicContact CB-CG 4.26Å; E48-P112 HydrophobicContact CG-CG 3.87Å
49	K	86.3	Confident	90.8	Very high	196 Å²	196	73.5 Å²	73.5	85%	0.852	37%	0.369	S	S	*	.	S	Bend	trans	-100.8	101.6	174.3	-68.9	-176.4	-179	179.1	0	109	P47	P47-K49 VanDerWaalsContact C-N 3.3Å; P47-K49 PolarHBondContact O-N 3.2Å
50	L	87	Confident	90.9	Very high	26 Å²	26	72.4 Å²	72.4	14%	0.136	36%	0.363	C	S	.	.			trans	-81.6	134.5	172.4	-70.2	165.8	0	0	0	110.1	P47 S52 C125 V127	P47-L50 HydrophobicContact CG-CD2 3.77Å; P47-L50 HydrophobicContact CG-CG 4.47Å; L50-S52 PolarHBondContact O-N 3.49Å; L50-C125 HydrophobicContact CD2-CB 3.6Å; L50-V127 HydrophobicContact CD1-CB 4.28Å; L50-V127 HydrophobicContact CD1-CG1 3.88Å; L50-V127 HydrophobicContact CD1-CG2 4.08Å; L50-V127 VanDerWaalsContact CD1-N 3.32Å; L50-V127 HydrophobicContact CG-CG1 4.5Å
51	N	84	Confident	91	Very high	137 Å²	137	75.2 Å²	75.2	73%	0.733	38%	0.377	S	S	*	.			trans	-75.5	72.4	163.3	-170.5	8.2	0	0	0	108.7	K53	N51-K53 PolarHBondContact O-N 3.23Å
52	S	78.3	Confident	90.8	Very high	40 Å²	40	75.1 Å²	75.1	28%	0.28	37%	0.369	S	S	.	.			trans	-73.9	121.4	-173.4	178.6	0	0	0	0	110.8	I39 L50 Q54	I39-S52 PolarHBondContact N-OG 2.87Å; I39-S52 WeakPolarHBondContact O-CA 2.93Å; I39-S52 PolarHBondContact O-OG 3.43Å; L50-S52 PolarHBondContact O-N 3.49Å; S52-Q54 PolarHBondContact OG-O 2.95Å
53	K	79.9	Confident	90.6	Very high	184 Å²	184	71.7 Å²	71.7	80%	0.8	36%	0.359	S	S	*	.	S	Bend	trans	-101.6	-10.6	170.2	-66	-173.9	-179.3	178.8	0	112.6	N51	N51-K53 PolarHBondContact O-N 3.23Å
54	Q	92.4	Very high	90.8	Very high	121 Å²	121	68.7 Å²	68.7	57%	0.565	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	-172.8	-68.2	178.1	-13.8	0	0	108.8	I39 S52	I39-Q54 HydrophobicContact CB-CB 4.3Å; I39-Q54 HydrophobicContact CD1-CB 4.37Å; I39-Q54 PolarHBondContact N-O 2.88Å; S52-Q54 PolarHBondContact OG-O 2.95Å
55	S	95.7	Very high	91.4	Very high	51 Å²	51	68.8 Å²	68.8	36%	0.357	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.5	169.7	62.1	0	0	0	0	110.3	K36 F37	K36-S55 VanDerWaalsContact CE-OG 3.29Å; K36-S55 WeakPolarHBondContact CE-OG 3.43Å; F37-S55 CarbonylContact O-C 3.54Å; F37-S55 WeakPolarHBondContact O-CA 3.32Å; F37-S55 VanDerWaalsContact O-CB 3.24Å; F37-S55 WeakPolarHBondContact O-CB 3.44Å
56	V	96.9	Very high	91.9	Very high	18 Å²	18	63 Å²	63	11%	0.109	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	168.8	61.8	0	0	0	0	109.5	F37 I39 I58 D68 E69 F70 W93	F37-V56 HydrophobicContact CB-CG1 3.77Å; F37-V56 HydrophobicContact CG-CG1 4.37Å; F37-V56 PolarHBondContact N-O 3.35Å; F37-V56 PolarHBondContact O-N 2.93Å; I39-V56 HydrophobicContact CD1-CG1 4.32Å; V56-I58 HydrophobicContact CG1-CD1 4.22Å; V56-I58 HydrophobicContact CG1-CG1 4.34Å; V56-I58 HydrophobicContact CG2-CG1 4.16Å; V56-D68 HydrophobicContact CG2-CB 4.15Å; V56-E69 WeakPolarHBondContact CA-OE1 3.34Å; V56-F70 HydrophobicContact CG2-CE2 4.49Å; V56-W93 HydrophobicContact CG1-CH2 4.09Å; V56-W93 HydrophobicContact CG1-CZ2 4.04Å
57	V	98.2	Very high	92.2	Very high	14 Å²	14	64.6 Å²	64.6	9%	0.085	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.9	170.7	178.8	0	0	0	0	109.5	W35 K36 D68 E69 I131	W35-V57 CarbonylContact O-C 3.45Å; W35-V57 WeakPolarHBondContact O-CA 3.48Å; K36-V57 HydrophobicContact CB-CG2 4.4Å; K36-V57 HydrophobicContact CG-CG2 4.22Å; V57-D68 CarbonylContact O-C 3.49Å; V57-D68 WeakPolarHBondContact O-CA 3.27Å; V57-E69 HydrophobicContact CB-CB 4.31Å; V57-E69 PolarHBondContact N-OE1 2.69Å; V57-E69 PolarHBondContact O-N 3.27Å; V57-I131 HydrophobicContact CB-CD1 4.46Å; V57-I131 HydrophobicContact CG1-CD1 3.6Å; V57-I131 HydrophobicContact CG2-CD1 4Å
58	I	98.6	Very high	92.6	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.2	178.9	-55.1	172.7	0	0	0	108.7	W35 F37 V56 L60 A66 D68 V86 I88	W35-I58 PolarHBondContact N-O 2.99Å; W35-I58 PolarHBondContact O-N 3.44Å; F37-I58 HydrophobicContact CD2-CB 4.34Å; F37-I58 HydrophobicContact CD2-CD1 3.84Å; F37-I58 HydrophobicContact CD2-CG1 4.08Å; F37-I58 HydrophobicContact CE2-CB 3.92Å; F37-I58 HydrophobicContact CE2-CD1 3.72Å; F37-I58 HydrophobicContact CE2-CG1 4.06Å; F37-I58 HydrophobicContact CG-CD1 4.43Å; F37-I58 HydrophobicContact CZ-CD1 4.2Å; V56-I58 HydrophobicContact CG1-CD1 4.22Å; V56-I58 HydrophobicContact CG1-CG1 4.34Å; V56-I58 HydrophobicContact CG2-CG1 4.16Å; I58-L60 HydrophobicContact CG2-CD2 3.92Å; I58-A66 HydrophobicContact CG2-CB 4.06Å; I58-D68 HydrophobicContact CG1-CB 4.34Å; I58-V86 HydrophobicContact CD1-CG1 4.39Å; I58-V86 HydrophobicContact CG2-CG1 4.15Å; I58-I88 HydrophobicContact CD1-CG2 3.87Å
59	S	98.4	Very high	93.1	Very high	27 Å²	27	60.2 Å²	60.2	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.1	172.9	-49.7	0	0	0	0	109.1	A66 I67	S59-A66 CarbonylContact O-C 3.47Å; S59-A66 WeakPolarHBondContact O-CA 3.32Å; S59-I67 PolarHBondContact N-O 2.85Å; S59-I67 PolarHBondContact O-N 3.5Å
60	L	98.1	Very high	93.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.3	175.8	-52.4	-176.4	0	0	0	108.1	H32 G33 I58 A66 W76 F84 V86	H32-L60 PolarHBondContact CD2-O 2.97Å; G33-L60 PolarHBondContact N-O 2.82Å; G33-L60 WeakPolarHBondContact O-CB 3.46Å; G33-L60 PolarHBondContact O-N 3.44Å; I58-L60 HydrophobicContact CG2-CD2 3.92Å; L60-A66 HydrophobicContact CD2-CB 4.29Å; L60-W76 HydrophobicContact CB-CD2 3.89Å; L60-W76 HydrophobicContact CB-CE3 4.45Å; L60-W76 HydrophobicContact CB-CG 4.18Å; L60-W76 HydrophobicContact CB-CH2 4.49Å; L60-W76 HydrophobicContact CB-CZ2 3.94Å; L60-W76 HydrophobicContact CD1-CD2 4.2Å; L60-W76 HydrophobicContact CD1-CE3 4.05Å; L60-W76 HydrophobicContact CD1-CZ3 4.37Å; L60-W76 HydrophobicContact CD2-CB 3.93Å; L60-W76 HydrophobicContact CD2-CD2 4.19Å; L60-W76 HydrophobicContact CD2-CG 3.8Å; L60-W76 HydrophobicContact CG-CD2 4.31Å; L60-W76 HydrophobicContact CG-CG 4.41Å; L60-F84 HydrophobicContact CD1-CD2 3.89Å; L60-F84 HydrophobicContact CD1-CE1 4.43Å; L60-F84 HydrophobicContact CD1-CE2 3.56Å; L60-F84 HydrophobicContact CD1-CG 4.44Å; L60-F84 HydrophobicContact CD1-CZ 3.86Å; L60-V86 HydrophobicContact CD2-CG1 4.4Å; L60-V86 HydrophobicContact CD2-CG2 3.78Å
61	L	96.3	Very high	94	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.8	-172.3	-55.4	177.6	0	0	0	111.1	P63 D64 I65 I67 W76	L61-P63 CarbonylContact O-C 3.57Å; L61-D64 PolarHBondContact O-N 2.78Å; L61-I65 HydrophobicContact CB-CB 4.27Å; L61-I65 WeakPolarHBondContact CB-O 3.33Å; L61-I65 PolarHBondContact N-O 2.77Å; L61-I65 PolarHBondContact O-N 2.78Å; L61-I67 HydrophobicContact CD1-CD1 3.64Å; L61-I67 HydrophobicContact CD1-CG1 4.09Å; L61-W76 PolarHBondContact O-NE1 2.79Å
62	Y	91.5	Very high	94.6	Very high	105 Å²	105	55.5 Å²	55.5	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	143.6	178.9	-176.7	-87.1	0	0	0	114.7	Y28 L203 N204	Y28-Y62 HydrophobicContact CE1-CD2 4.17Å; Y28-Y62 VanDerWaalsContact OH-CA 3.25Å; Y28-Y62 WeakPolarHBondContact OH-CA 3.39Å; Y62-L203 HydrophobicContact CE2-CD2 4.19Å; Y62-N204 PolarHBondContact OH-ND2 3.16Å
63	P	89.4	Confident	95.6	Very high	28 Å²	28	63 Å²	63	18%	0.182	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	cis	-78.7	-29.5	-14.5	27.6	-25.8	0	0	0	112.3	Y28 L61 Y342	Y28-P63 WeakPolarHBondContact CE2-O 3.34Å; Y28-P63 PolarHBondContact OH-O 3.22Å; L61-P63 CarbonylContact O-C 3.57Å; P63-Y342 HydrophobicContact CB-CD1 4.33Å; P63-Y342 HydrophobicContact CB-CD2 4.21Å; P63-Y342 HydrophobicContact CB-CE1 3.9Å; P63-Y342 HydrophobicContact CB-CE2 3.78Å; P63-Y342 HydrophobicContact CB-CG 4.49Å; P63-Y342 HydrophobicContact CG-CD1 4.37Å; P63-Y342 HydrophobicContact CG-CE1 3.83Å
64	D	95	Very high	96.4	Very high	35 Å²	35	55.4 Å²	55.4	19%	0.187	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.4	19.2	-162	64.8	-17.3	0	0	0	112.8	L61 H75 W76 Y342	L61-D64 PolarHBondContact O-N 2.78Å; D64-H75 WeakPolarHBondContact CB-NE2 3.21Å; D64-H75 CarbonylContact O-C 3.59Å; D64-H75 WeakPolarHBondContact O-CA 3.36Å; D64-H75 PolarHBondContact O-CD2 3.37Å; D64-H75 IonicContact OD2-CD2 3.9Å; D64-H75 PolarHBondContact OD2-CD2 2.95Å; D64-H75 VanDerWaalsContact OD2-CD2 3.26Å; D64-H75 IonicContact OD2-NE2 3.7Å; D64-H75 PolarHBondContact OD2-NE2 3.41Å; D64-W76 VanDerWaalsContact CA-O 3.24Å; D64-W76 WeakPolarHBondContact CA-O 3.28Å; D64-W76 WeakPolarHBondContact CB-O 3.28Å; D64-W76 PolarHBondContact O-N 2.97Å; D64-Y342 HydrophobicContact CB-CD1 3.84Å; D64-Y342 HydrophobicContact CB-CG 3.87Å; D64-Y342 WeakPolarHBondContact OD2-CD1 3.23Å
65	I	97.9	Very high	96.7	Very high	64 Å²	64	52.6 Å²	52.6	33%	0.328	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.1	-174.3	-60.3	172	0	0	0	110.4	L61 I67 W76	L61-I65 HydrophobicContact CB-CB 4.27Å; L61-I65 WeakPolarHBondContact CB-O 3.33Å; L61-I65 PolarHBondContact N-O 2.77Å; L61-I65 PolarHBondContact O-N 2.78Å; I65-I67 HydrophobicContact CG2-CD1 4.38Å; I65-I67 HydrophobicContact CG2-CG1 4.03Å; I65-W76 VanDerWaalsContact C-CD1 3.43Å; I65-W76 VanDerWaalsContact O-CD1 3.23Å; I65-W76 PolarHBondContact O-NE1 3.29Å
66	A	98.6	Very high	96.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.8	171.1	0	0	0	0	0	110.7	I58 S59 L60 R73 G74 W76 V86 I88	I58-A66 HydrophobicContact CG2-CB 4.06Å; S59-A66 CarbonylContact O-C 3.47Å; S59-A66 WeakPolarHBondContact O-CA 3.32Å; L60-A66 HydrophobicContact CD2-CB 4.29Å; A66-R73 CarbonylContact O-C 3.5Å; A66-R73 WeakPolarHBondContact O-CA 3.42Å; A66-G74 PolarHBondContact N-O 3.34Å; A66-G74 PolarHBondContact O-N 3.4Å; A66-W76 HydrophobicContact CB-CB 4.39Å; A66-V86 HydrophobicContact CB-CG1 3.64Å; A66-I88 HydrophobicContact CB-CD1 4.2Å
67	I	98.5	Very high	96.7	Very high	43 Å²	43	49.6 Å²	49.6	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.5	175.2	-53.7	-175.7	0	0	0	109.5	S59 L61 I65 N72 R73	S59-I67 PolarHBondContact N-O 2.85Å; S59-I67 PolarHBondContact O-N 3.5Å; L61-I67 HydrophobicContact CD1-CD1 3.64Å; L61-I67 HydrophobicContact CD1-CG1 4.09Å; I65-I67 HydrophobicContact CG2-CD1 4.38Å; I65-I67 HydrophobicContact CG2-CG1 4.03Å; I67-N72 WeakPolarHBondContact CA-O 3.43Å; I67-R73 HydrophobicContact CG1-CG 4.42Å
68	D	97.9	Very high	96.5	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	170.6	175.1	72.7	16	0	0	0	112.3	V56 V57 I58 F70 G71 N72 I88	V56-D68 HydrophobicContact CG2-CB 4.15Å; V57-D68 CarbonylContact O-C 3.49Å; V57-D68 WeakPolarHBondContact O-CA 3.27Å; I58-D68 HydrophobicContact CG1-CB 4.34Å; D68-F70 PolarHBondContact O-N 3.26Å; D68-F70 VanDerWaalsContact O-N 3.11Å; D68-F70 WeakPolarHBondContact OD1-CA 3.42Å; D68-F70 WeakPolarHBondContact OD1-CB 3.31Å; D68-F70 PolarHBondContact OD1-N 3.48Å; D68-G71 PolarHBondContact O-N 2.85Å; D68-G71 PolarHBondContact OD1-N 3.47Å; D68-G71 VanDerWaalsContact OD1-N 3.09Å; D68-N72 PolarHBondContact N-O 3.15Å; D68-N72 WeakPolarHBondContact OD1-CB 3.42Å; D68-N72 PolarHBondContact OD1-N 2.78Å; D68-N72 PolarHBondContact OD1-ND2 3.06Å; D68-N72 WeakPolarHBondContact OD2-CB 3.44Å; D68-N72 PolarHBondContact OD2-ND2 2.84Å; D68-I88 HydrophobicContact CB-CD1 3.79Å; D68-I88 VanDerWaalsContact N-CD1 3.33Å
69	E	96	Very high	96.2	Very high	99 Å²	99	49.1 Å²	49.1	46%	0.463	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.7	179.8	67.7	-165.6	144.4	0	0	114.9	V56 V57	V56-E69 WeakPolarHBondContact CA-OE1 3.34Å; V57-E69 HydrophobicContact CB-CB 4.31Å; V57-E69 PolarHBondContact N-OE1 2.69Å; V57-E69 PolarHBondContact O-N 3.27Å
70	F	96.1	Very high	95.6	Very high	150 Å²	150	48 Å²	48	66%	0.658	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-1	175.9	-50.6	-68.6	0	0	0	112.4	V56 D68 N72	V56-F70 HydrophobicContact CG2-CE2 4.49Å; D68-F70 PolarHBondContact O-N 3.26Å; D68-F70 VanDerWaalsContact O-N 3.11Å; D68-F70 WeakPolarHBondContact OD1-CA 3.42Å; D68-F70 WeakPolarHBondContact OD1-CB 3.31Å; D68-F70 PolarHBondContact OD1-N 3.48Å; F70-N72 VanDerWaalsContact C-N 3.34Å
71	G	96.2	Very high	95	Very high	50 Å²	50	48.2 Å²	48.2	52%	0.515	24%	0.241	S	C	.	.			trans	83	7.3	-179.5	0	0	0	0	0	114.1	D68	D68-G71 PolarHBondContact O-N 2.85Å; D68-G71 PolarHBondContact OD1-N 3.47Å; D68-G71 VanDerWaalsContact OD1-N 3.09Å
72	N	97.9	Very high	94.5	Very high	61 Å²	61	45.1 Å²	45.1	33%	0.326	22%	0.224	S	C	.	.			trans	-65.7	145.9	171.3	-56.1	-60.3	0	0	0	109	I67 D68 F70 I88 N89	I67-N72 WeakPolarHBondContact CA-O 3.43Å; D68-N72 PolarHBondContact N-O 3.15Å; D68-N72 WeakPolarHBondContact OD1-CB 3.42Å; D68-N72 PolarHBondContact OD1-N 2.78Å; D68-N72 PolarHBondContact OD1-ND2 3.06Å; D68-N72 WeakPolarHBondContact OD2-CB 3.44Å; D68-N72 PolarHBondContact OD2-ND2 2.84Å; F70-N72 VanDerWaalsContact C-N 3.34Å; N72-I88 HydrophobicContact CB-CG1 4.44Å; N72-I88 WeakPolarHBondContact O-CD1 3.22Å; N72-N89 HydrophobicContact CB-CB 4.42Å
73	R	98	Very high	94.6	Very high	198 Å²	198	40.1 Å²	40.1	75%	0.747	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.1	177.6	-66.4	-174.4	173.6	-162.1	-2.3	110.3	A66 I67	A66-R73 CarbonylContact O-C 3.5Å; A66-R73 WeakPolarHBondContact O-CA 3.42Å; I67-R73 HydrophobicContact CG1-CG 4.42Å
74	G	97.8	Very high	94.9	Very high	23 Å²	23	38.8 Å²	38.8	24%	0.237	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-166.8	176	0	0	0	0	0	110.8	A66 T87	A66-G74 PolarHBondContact N-O 3.34Å; A66-G74 PolarHBondContact O-N 3.4Å; G74-T87 CarbonylContact C-O 3.52Å; G74-T87 WeakPolarHBondContact CA-O 3.3Å
75	H	97.6	Very high	95	Very high	62 Å²	62	37.6 Å²	37.6	29%	0.287	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.2	-179.9	177.1	-89.8	0	0	0	110.2	D64 V86 T87 G341	D64-H75 WeakPolarHBondContact CB-NE2 3.21Å; D64-H75 CarbonylContact O-C 3.59Å; D64-H75 WeakPolarHBondContact O-CA 3.36Å; D64-H75 PolarHBondContact O-CD2 3.37Å; D64-H75 IonicContact OD2-CD2 3.9Å; D64-H75 PolarHBondContact OD2-CD2 2.95Å; D64-H75 VanDerWaalsContact OD2-CD2 3.26Å; D64-H75 IonicContact OD2-NE2 3.7Å; D64-H75 PolarHBondContact OD2-NE2 3.41Å; H75-V86 CarbonylContact O-C 3.51Å; H75-V86 WeakPolarHBondContact O-CA 3.43Å; H75-T87 PolarHBondContact N-O 2.97Å; H75-T87 PolarHBondContact O-N 3.07Å; H75-G341 PolarHBondContact CE1-O 3.03Å; H75-G341 PolarHBondContact NE2-O 3.3Å
76	W	97.7	Very high	95.1	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.6	165.9	77.3	-73	0	0	0	111.4	Y28 A31 H32 L60 L61 D64 I65 A66 L78 F84 E85 V86	Y28-W76 AromaticContact CD2-CH2 3.71Å; Y28-W76 HydrophobicContact CD2-CH2 3.71Å; Y28-W76 HydrophobicContact CD2-CZ2 4.31Å; Y28-W76 HydrophobicContact CD2-CZ3 4.45Å; Y28-W76 HydrophobicContact CE1-CH2 4.39Å; Y28-W76 HydrophobicContact CE1-CZ2 4.35Å; Y28-W76 AromaticContact CE2-CH2 3.26Å; Y28-W76 HydrophobicContact CE2-CH2 3.26Å; Y28-W76 AromaticContact CE2-CZ2 3.41Å; Y28-W76 HydrophobicContact CE2-CZ2 3.41Å; Y28-W76 VanDerWaalsContact CE2-CZ2 3.41Å; Y28-W76 HydrophobicContact CE2-CZ3 4.2Å; Y28-W76 HydrophobicContact CG-CH2 4.44Å; Y28-W76 AromaticContact CZ-CH2 3.64Å; Y28-W76 AromaticContact CZ-CZ2 3.43Å; Y28-W76 VanDerWaalsContact CZ-CZ2 3.43Å; Y28-W76 VanDerWaalsContact OH-CZ2 3.24Å; Y28-W76 WeakPolarHBondContact OH-CZ2 3.42Å; A31-W76 HydrophobicContact CB-CH2 4.16Å; A31-W76 HydrophobicContact CB-CZ3 3.89Å; H32-W76 HydrophobicContact CB-CH2 4.49Å; L60-W76 HydrophobicContact CB-CD2 3.89Å; L60-W76 HydrophobicContact CB-CE3 4.45Å; L60-W76 HydrophobicContact CB-CG 4.18Å; L60-W76 HydrophobicContact CB-CH2 4.49Å; L60-W76 HydrophobicContact CB-CZ2 3.94Å; L60-W76 HydrophobicContact CD1-CD2 4.2Å; L60-W76 HydrophobicContact CD1-CE3 4.05Å; L60-W76 HydrophobicContact CD1-CZ3 4.37Å; L60-W76 HydrophobicContact CD2-CB 3.93Å; L60-W76 HydrophobicContact CD2-CD2 4.19Å; L60-W76 HydrophobicContact CD2-CG 3.8Å; L60-W76 HydrophobicContact CG-CD2 4.31Å; L60-W76 HydrophobicContact CG-CG 4.41Å; L61-W76 PolarHBondContact O-NE1 2.79Å; D64-W76 VanDerWaalsContact CA-O 3.24Å; D64-W76 WeakPolarHBondContact CA-O 3.28Å; D64-W76 WeakPolarHBondContact CB-O 3.28Å; D64-W76 PolarHBondContact O-N 2.97Å; I65-W76 VanDerWaalsContact C-CD1 3.43Å; I65-W76 VanDerWaalsContact O-CD1 3.23Å; I65-W76 PolarHBondContact O-NE1 3.29Å; A66-W76 HydrophobicContact CB-CB 4.39Å; W76-L78 HydrophobicContact CZ3-CB 4.46Å; W76-F84 HydrophobicContact CE3-CB 4.1Å; W76-F84 HydrophobicContact CZ3-CB 4.33Å; W76-E85 CarbonylContact C-O 3.21Å; W76-E85 WeakPolarHBondContact CA-O 3.41Å; W76-E85 WeakPolarHBondContact CB-O 3.49Å; W76-V86 HydrophobicContact CB-CB 4.42Å; W76-V86 HydrophobicContact CB-CG1 4.39Å; W76-V86 HydrophobicContact CB-CG2 4.09Å
77	T	95.7	Very high	95	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.2	171.1	-177.8	0	0	0	0	110.1	F84 E85 F294 Y338 Y343	T77-F84 CarbonylContact O-C 3.38Å; T77-F84 WeakPolarHBondContact O-CA 3.4Å; T77-F84 VanDerWaalsContact O-CB 3.23Å; T77-F84 WeakPolarHBondContact O-CB 3.18Å; T77-E85 PolarHBondContact N-O 2.95Å; T77-E85 PolarHBondContact O-N 2.63Å; T77-F294 HydrophobicContact CG2-CE1 4.47Å; T77-F294 HydrophobicContact CG2-CE2 3.93Å; T77-F294 HydrophobicContact CG2-CZ 3.62Å; T77-Y338 HydrophobicContact CG2-CD2 4.38Å; T77-Y338 HydrophobicContact CG2-CE2 4.45Å; T77-Y343 WeakPolarHBondContact OG1-CB 3.38Å; T77-Y343 PolarHBondContact OG1-N 2.89Å
78	L	94.4	Very high	95	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	149.5	164.7	-163.7	72.5	0	0	0	109.3	A31 W76 Y80 G83 F84 F97 Y338 Y343	A31-L78 HydrophobicContact CB-CD1 3.67Å; W76-L78 HydrophobicContact CZ3-CB 4.46Å; L78-Y80 WeakPolarHBondContact CD2-O 3.31Å; L78-Y80 WeakPolarHBondContact CG-O 3.42Å; L78-G83 WeakPolarHBondContact CD1-O 3.11Å; L78-F84 HydrophobicContact CD1-CB 4.48Å; L78-F97 HydrophobicContact CD1-CE2 4.38Å; L78-F97 HydrophobicContact CD1-CZ 4.41Å; L78-Y338 WeakPolarHBondContact O-CE2 3.47Å; L78-Y343 HydrophobicContact CB-CD1 4.1Å; L78-Y343 HydrophobicContact CB-CG 4.18Å; L78-Y343 HydrophobicContact CD2-CD1 3.93Å; L78-Y343 HydrophobicContact CD2-CE1 4.04Å; L78-Y343 VanDerWaalsContact O-CB 3.22Å; L78-Y343 WeakPolarHBondContact O-CB 3.49Å
79	I	91.6	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	90.8	173.1	-58.1	171.9	0	0	0	106.4	N81 Q82 G83 E85 L94 F294 L295	I79-N81 PolarHBondContact O-N 3.47Å; I79-N81 VanDerWaalsContact O-N 3.15Å; I79-Q82 PolarHBondContact O-N 3Å; I79-G83 PolarHBondContact N-O 3Å; I79-G83 PolarHBondContact O-N 3.19Å; I79-E85 HydrophobicContact CD1-CB 4.11Å; I79-L94 HydrophobicContact CD1-CD1 3.38Å; I79-F294 HydrophobicContact CD1-CD1 3.85Å; I79-F294 HydrophobicContact CD1-CE1 3.68Å; I79-F294 HydrophobicContact CG1-CD1 3.82Å; I79-F294 HydrophobicContact CG1-CE1 3.78Å; I79-F294 HydrophobicContact CG2-CD1 4.24Å; I79-L295 HydrophobicContact CD1-CD2 3.81Å; I79-L295 HydrophobicContact CG2-CD1 4.26Å; I79-L295 HydrophobicContact CG2-CD2 4.39Å; I79-L295 HydrophobicContact CG2-CG 4.07Å
80	Y	86	Confident	94.8	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.02	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	-117.2	-171	-166.7	-138.2	0	0	0	112	L78 S195 V197 F292 Y343 N398	L78-Y80 WeakPolarHBondContact CD2-O 3.31Å; L78-Y80 WeakPolarHBondContact CG-O 3.42Å; Y80-S195 WeakPolarHBondContact CE1-OG 3.45Å; Y80-V197 PolarHBondContact OH-O 2.92Å; Y80-F292 HydrophobicContact CD1-CD1 4.46Å; Y80-F292 AromaticContact CD1-CE1 3.35Å; Y80-F292 HydrophobicContact CD1-CE1 3.35Å; Y80-F292 AromaticContact CD1-CZ 3.54Å; Y80-F292 HydrophobicContact CD1-CZ 3.54Å; Y80-F292 HydrophobicContact CE1-CE1 4.15Å; Y80-F292 HydrophobicContact CE1-CZ 4.33Å; Y80-F292 AromaticContact CG-CE1 3.88Å; Y80-F292 HydrophobicContact CG-CE1 3.88Å; Y80-F292 HydrophobicContact CG-CZ 4.35Å; Y80-Y343 AromaticContact CD2-CE2 3.87Å; Y80-Y343 HydrophobicContact CD2-CE2 3.87Å; Y80-Y343 AromaticContact CD2-CZ 3.97Å; Y80-Y343 WeakPolarHBondContact CD2-OH 3.46Å; Y80-N398 WeakPolarHBondContact CE1-ND2 3.29Å; Y80-N398 PolarHBondContact OH-ND2 2.78Å
81	N	84.7	Confident	94.9	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	14.5	177.6	67.3	-36.8	0	0	0	113.5	A24 C26 I79 S195 V197	A24-N81 PolarHBondContact O-ND2 3.37Å; C26-N81 PolarHBondContact N-O 3.38Å; C26-N81 VanDerWaalsContact N-O 3.11Å; C26-N81 WeakPolarHBondContact O-CA 3.39Å; C26-N81 WeakPolarHBondContact O-CB 3.5Å; I79-N81 PolarHBondContact O-N 3.47Å; I79-N81 VanDerWaalsContact O-N 3.15Å; N81-S195 VanDerWaalsContact CG-OG 3.28Å; N81-S195 PolarHBondContact ND2-OG 3.24Å; N81-S195 PolarHBondContact OD1-OG 3.38Å; N81-V197 HydrophobicContact CB-CG2 3.61Å; N81-V197 WeakPolarHBondContact ND2-CG2 3.22Å
82	Q	86.4	Confident	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-27.2	-161	-59.9	-66	-14.6	0	0	113	A20 T22 I79 F97 F292	A20-Q82 WeakPolarHBondContact O-CB 3.38Å; A20-Q82 WeakPolarHBondContact O-CG 3.32Å; A20-Q82 PolarHBondContact O-OE1 3.3Å; T22-Q82 VanDerWaalsContact CB-OE1 3.27Å; T22-Q82 PolarHBondContact O-NE2 3.17Å; T22-Q82 PolarHBondContact O-OE1 2.82Å; T22-Q82 PolarHBondContact OG1-OE1 3.12Å; I79-Q82 PolarHBondContact O-N 3Å; Q82-F97 VanDerWaalsContact O-CD2 3.27Å; Q82-F97 WeakPolarHBondContact O-CD2 3.42Å; Q82-F97 PolarHBondContact O-N 3.07Å; Q82-F292 HydrophobicContact CG-CD2 4.46Å; Q82-F292 HydrophobicContact CG-CE2 3.64Å; Q82-F292 HydrophobicContact CG-CZ 3.97Å
83	G	93.5	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-164	-175.6	0	0	0	0	0	111.7	L78 I79 V95	L78-G83 WeakPolarHBondContact CD1-O 3.11Å; I79-G83 PolarHBondContact N-O 3Å; I79-G83 PolarHBondContact O-N 3.19Å; G83-V95 CarbonylContact C-O 3.51Å; G83-V95 WeakPolarHBondContact CA-O 3.33Å
84	F	96.2	Very high	94.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.7	171.7	58.1	-91.6	0	0	0	109.8	A31 W35 F37 L60 W76 T77 L78 V86 V95 F97	A31-F84 HydrophobicContact CB-CD1 4.14Å; W35-F84 HydrophobicContact CD2-CE1 4.33Å; W35-F84 AromaticContact CD2-CZ 3.85Å; W35-F84 HydrophobicContact CD2-CZ 3.85Å; W35-F84 AromaticContact CE2-CE1 3.86Å; W35-F84 AromaticContact CE2-CZ 3.79Å; W35-F84 HydrophobicContact CE3-CZ 4.18Å; W35-F84 HydrophobicContact CG-CZ 4.24Å; W35-F84 HydrophobicContact CH2-CE1 4.01Å; W35-F84 HydrophobicContact CH2-CZ 4.4Å; W35-F84 AromaticContact CZ2-CE1 3.71Å; W35-F84 HydrophobicContact CZ2-CE1 3.71Å; W35-F84 HydrophobicContact CZ2-CZ 4.1Å; W35-F84 HydrophobicContact CZ3-CE1 4.45Å; W35-F84 HydrophobicContact CZ3-CZ 4.44Å; F37-F84 HydrophobicContact CZ-CE2 4.18Å; L60-F84 HydrophobicContact CD1-CD2 3.89Å; L60-F84 HydrophobicContact CD1-CE1 4.43Å; L60-F84 HydrophobicContact CD1-CE2 3.56Å; L60-F84 HydrophobicContact CD1-CG 4.44Å; L60-F84 HydrophobicContact CD1-CZ 3.86Å; W76-F84 HydrophobicContact CE3-CB 4.1Å; W76-F84 HydrophobicContact CZ3-CB 4.33Å; T77-F84 CarbonylContact O-C 3.38Å; T77-F84 WeakPolarHBondContact O-CA 3.4Å; T77-F84 VanDerWaalsContact O-CB 3.23Å; T77-F84 WeakPolarHBondContact O-CB 3.18Å; L78-F84 HydrophobicContact CD1-CB 4.48Å; F84-V86 HydrophobicContact CD2-CG2 3.68Å; F84-V86 HydrophobicContact CE2-CG2 3.67Å; F84-V95 HydrophobicContact CD1-CB 4.06Å; F84-V95 HydrophobicContact CD1-CG1 4.22Å; F84-V95 HydrophobicContact CD2-CB 3.94Å; F84-V95 HydrophobicContact CD2-CG2 3.91Å; F84-V95 HydrophobicContact CE1-CB 3.81Å; F84-V95 HydrophobicContact CE1-CG1 3.59Å; F84-V95 HydrophobicContact CE1-CG2 4.32Å; F84-V95 HydrophobicContact CE2-CB 3.67Å; F84-V95 HydrophobicContact CE2-CG1 4.16Å; F84-V95 HydrophobicContact CE2-CG2 3.35Å; F84-V95 HydrophobicContact CG-CB 4.13Å; F84-V95 HydrophobicContact CZ-CB 3.62Å; F84-V95 HydrophobicContact CZ-CG1 3.56Å; F84-V95 HydrophobicContact CZ-CG2 3.61Å; F84-V95 PolarHBondContact N-O 2.84Å; F84-V95 WeakPolarHBondContact O-CA 3.39Å; F84-V95 WeakPolarHBondContact O-CB 3.38Å; F84-V95 PolarHBondContact O-N 3.32Å; F84-F97 AromaticContact CD1-CE1 3.94Å; F84-F97 HydrophobicContact CD1-CE1 3.94Å; F84-F97 AromaticContact CD1-CZ 3.77Å; F84-F97 HydrophobicContact CD1-CZ 3.77Å; F84-F97 AromaticContact CE1-CE1 3.85Å; F84-F97 HydrophobicContact CE1-CE1 3.85Å; F84-F97 HydrophobicContact CE1-CZ 4.17Å
85	E	97.5	Very high	94.7	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.051	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.4	170.4	-176.5	169.4	79.4	0	0	110.2	W76 T77 I79 W93 F294 Y336	W76-E85 CarbonylContact C-O 3.21Å; W76-E85 WeakPolarHBondContact CA-O 3.41Å; W76-E85 WeakPolarHBondContact CB-O 3.49Å; T77-E85 PolarHBondContact N-O 2.95Å; T77-E85 PolarHBondContact O-N 2.63Å; I79-E85 HydrophobicContact CD1-CB 4.11Å; E85-W93 CarbonylContact C-O 3.52Å; E85-W93 VanDerWaalsContact CA-O 3.3Å; E85-W93 WeakPolarHBondContact CA-O 3.44Å; E85-F294 HydrophobicContact CB-CE1 4.43Å; E85-Y336 WeakPolarHBondContact OE1-CE2 3.33Å; E85-Y336 PolarHBondContact OE1-OH 3.26Å; E85-Y336 PolarHBondContact OE2-OH 2.72Å
86	V	98.2	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.4	173.1	-169.5	0	0	0	0	108.5	F37 I58 L60 A66 H75 W76 F84 I88 K92 W93	F37-V86 HydrophobicContact CZ-CG2 4.4Å; I58-V86 HydrophobicContact CD1-CG1 4.39Å; I58-V86 HydrophobicContact CG2-CG1 4.15Å; L60-V86 HydrophobicContact CD2-CG1 4.4Å; L60-V86 HydrophobicContact CD2-CG2 3.78Å; A66-V86 HydrophobicContact CB-CG1 3.64Å; H75-V86 CarbonylContact O-C 3.51Å; H75-V86 WeakPolarHBondContact O-CA 3.43Å; W76-V86 HydrophobicContact CB-CB 4.42Å; W76-V86 HydrophobicContact CB-CG1 4.39Å; W76-V86 HydrophobicContact CB-CG2 4.09Å; F84-V86 HydrophobicContact CD2-CG2 3.68Å; F84-V86 HydrophobicContact CE2-CG2 3.67Å; V86-I88 HydrophobicContact CG1-CB 4.28Å; V86-I88 HydrophobicContact CG1-CG2 3.91Å; V86-K92 CarbonylContact O-C 3.4Å; V86-K92 WeakPolarHBondContact O-CA 3.47Å; V86-W93 HydrophobicContact CB-CB 4.19Å; V86-W93 PolarHBondContact N-O 3.09Å; V86-W93 PolarHBondContact O-N 3.03Å
87	T	97.8	Very high	94.4	Very high	41 Å²	41	18.6 Å²	18.6	25%	0.252	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.5	167.5	-61.7	0	0	0	0	108.6	G74 H75 R91 K92 T118	G74-T87 CarbonylContact C-O 3.52Å; G74-T87 WeakPolarHBondContact CA-O 3.3Å; H75-T87 PolarHBondContact N-O 2.97Å; H75-T87 PolarHBondContact O-N 3.07Å; T87-R91 WeakPolarHBondContact CA-O 3.48Å; T87-K92 HydrophobicContact CG2-CG 4.22Å; T87-T118 HydrophobicContact CG2-CG2 4.06Å
88	I	98	Very high	94.2	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	142.3	-177.8	-171.8	162.2	0	0	0	110.3	I58 A66 D68 N72 V86 H90 R91	I58-I88 HydrophobicContact CD1-CG2 3.87Å; A66-I88 HydrophobicContact CB-CD1 4.2Å; D68-I88 HydrophobicContact CB-CD1 3.79Å; D68-I88 VanDerWaalsContact N-CD1 3.33Å; N72-I88 HydrophobicContact CB-CG1 4.44Å; N72-I88 WeakPolarHBondContact O-CD1 3.22Å; V86-I88 HydrophobicContact CG1-CB 4.28Å; V86-I88 HydrophobicContact CG1-CG2 3.91Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 2.98Å; I88-R91 PolarHBondContact N-O 3.25Å; I88-R91 PolarHBondContact O-N 2.83Å
89	N	95.5	Very high	94	Very high	94 Å²	94	20.4 Å²	20.4	50%	0.503	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	51.3	178.8	-168.3	20.3	0	0	0	112.7	N72 R91	N72-N89 HydrophobicContact CB-CB 4.42Å; N89-R91 PolarHBondContact O-N 2.78Å; N89-R91 VanDerWaalsContact O-N 3.14Å
90	H	94.9	Very high	93.7	Very high	143 Å²	143	24.6 Å²	24.6	66%	0.662	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	26.2	-179.3	-52.2	-74	0	0	0	115.3	I88 D117 T118	I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 2.98Å; H90-D117 CarbonylContact O-C 3.53Å; H90-D117 WeakPolarHBondContact O-CA 3.45Å; H90-D117 WeakPolarHBondContact O-CB 3.48Å; H90-T118 PolarHBondContact O-N 3.2Å
91	R	96.5	Very high	93.3	Very high	42 Å²	42	30.7 Å²	30.7	16%	0.158	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.4	178.2	-179.5	164.2	-75	-82.2	-1.4	111.5	T87 I88 N89 W93 T115 H116 Q122	T87-R91 WeakPolarHBondContact CA-O 3.48Å; I88-R91 PolarHBondContact N-O 3.25Å; I88-R91 PolarHBondContact O-N 2.83Å; N89-R91 PolarHBondContact O-N 2.78Å; N89-R91 VanDerWaalsContact O-N 3.14Å; R91-W93 HydrophobicContact CG-CD2 4.34Å; R91-W93 HydrophobicContact CG-CZ2 3.82Å; R91-T115 VanDerWaalsContact CD-OG1 3.3Å; R91-T115 WeakPolarHBondContact CD-OG1 3.25Å; R91-T115 WeakPolarHBondContact CG-OG1 3.41Å; R91-T115 PolarHBondContact NH1-O 2.77Å; R91-T115 PolarHBondContact NH1-OG1 2.92Å; R91-T115 VanDerWaalsContact NH1-OG1 3.16Å; R91-H116 WeakPolarHBondContact CA-O 3.46Å; R91-H116 WeakPolarHBondContact CG-O 3.45Å; R91-Q122 PolarHBondContact NH1-O 3.49Å; R91-Q122 PolarHBondContact NH2-O 2.89Å
92	K	97.3	Very high	93	Very high	21 Å²	21	35.2 Å²	35.2	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.8	175.2	-62	-164.9	178.6	-177.4	0	110.7	V86 T87 T115 H116 T118 E302	V86-K92 CarbonylContact O-C 3.4Å; V86-K92 WeakPolarHBondContact O-CA 3.47Å; T87-K92 HydrophobicContact CG2-CG 4.22Å; K92-T115 WeakPolarHBondContact O-CA 3.48Å; K92-T115 WeakPolarHBondContact O-CB 3.27Å; K92-T115 PolarHBondContact O-OG1 3.08Å; K92-H116 PolarHBondContact N-O 3.46Å; K92-T118 HydrophobicContact CG-CG2 4.16Å; K92-E302 IonicContact NZ-OE1 2.71Å; K92-E302 PolarHBondContact NZ-OE1 3.48Å; K92-E302 IonicContact NZ-OE2 3.95Å; K92-E302 PolarHBondContact NZ-OE2 3.29Å
93	W	97.3	Very high	92.7	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104	-179.6	-50.7	85.4	0	0	0	108.6	F37 I39 V56 E85 V86 R91 T115 F126	F37-W93 HydrophobicContact CB-CZ3 4.35Å; F37-W93 HydrophobicContact CD1-CD2 4.14Å; F37-W93 AromaticContact CD1-CE3 3.68Å; F37-W93 HydrophobicContact CD1-CE3 3.68Å; F37-W93 HydrophobicContact CD1-CZ3 4.17Å; F37-W93 HydrophobicContact CE1-CB 4.08Å; F37-W93 HydrophobicContact CE1-CD2 4.37Å; F37-W93 HydrophobicContact CE1-CE3 4.24Å; F37-W93 HydrophobicContact CE1-CG 4.34Å; F37-W93 HydrophobicContact CG-CE3 4.47Å; I39-W93 HydrophobicContact CD1-CH2 3.67Å; I39-W93 HydrophobicContact CD1-CZ3 4.36Å; I39-W93 HydrophobicContact CG1-CH2 3.88Å; I39-W93 HydrophobicContact CG1-CZ3 4.06Å; V56-W93 HydrophobicContact CG1-CH2 4.09Å; V56-W93 HydrophobicContact CG1-CZ2 4.04Å; E85-W93 CarbonylContact C-O 3.52Å; E85-W93 VanDerWaalsContact CA-O 3.3Å; E85-W93 WeakPolarHBondContact CA-O 3.44Å; V86-W93 HydrophobicContact CB-CB 4.19Å; V86-W93 PolarHBondContact N-O 3.09Å; V86-W93 PolarHBondContact O-N 3.03Å; R91-W93 HydrophobicContact CG-CD2 4.34Å; R91-W93 HydrophobicContact CG-CZ2 3.82Å; W93-T115 HydrophobicContact CE3-CG2 3.79Å; W93-T115 HydrophobicContact CH2-CG2 4.13Å; W93-T115 HydrophobicContact CZ3-CG2 3.53Å; W93-F126 HydrophobicContact CB-CZ 4.3Å; W93-F126 AromaticContact CE3-CD1 3.94Å; W93-F126 HydrophobicContact CE3-CD1 3.94Å; W93-F126 HydrophobicContact CE3-CD2 4.14Å; W93-F126 HydrophobicContact CE3-CE1 4.09Å; W93-F126 HydrophobicContact CE3-CE2 4.3Å; W93-F126 AromaticContact CE3-CG 3.94Å; W93-F126 HydrophobicContact CE3-CG 3.94Å; W93-F126 HydrophobicContact CE3-CZ 4.25Å; W93-F126 HydrophobicContact CZ3-CB 4.13Å; W93-F126 HydrophobicContact CZ3-CD1 4.28Å; W93-F126 HydrophobicContact CZ3-CD2 4.44Å; W93-F126 HydrophobicContact CZ3-CG 4.03Å
94	L	96.2	Very high	92.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.4	169.2	173.9	68.4	0	0	0	109.1	I79 I96 M113 F126 Y284 L295 K299	I79-L94 HydrophobicContact CD1-CD1 3.38Å; L94-I96 HydrophobicContact CD1-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CD1 4.28Å; L94-I96 HydrophobicContact CD2-CG1 4.39Å; L94-I96 HydrophobicContact CG-CD1 4.22Å; L94-I96 HydrophobicContact CG-CG1 4.38Å; L94-M113 HydrophobicContact CB-CE 4.35Å; L94-M113 HydrophobicContact CD2-CE 3.5Å; L94-M113 VanDerWaalsContact CD2-CE 3.5Å; L94-M113 HydrophobicContact CG-CE 3.81Å; L94-M113 VanDerWaalsContact O-CB 3.29Å; L94-M113 WeakPolarHBondContact O-CB 3.27Å; L94-M113 WeakPolarHBondContact O-CG 3.39Å; L94-F126 VanDerWaalsContact O-CZ 3.26Å; L94-F126 WeakPolarHBondContact O-CZ 3.33Å; L94-Y284 HydrophobicContact CD2-CD1 3.65Å; L94-Y284 HydrophobicContact CD2-CE1 3.82Å; L94-Y284 HydrophobicContact CD2-CG 4.33Å; L94-L295 HydrophobicContact CD1-CD2 3.69Å; L94-L295 HydrophobicContact CD2-CD2 4.05Å; L94-K299 HydrophobicContact CB-CD 3.96Å; L94-K299 VanDerWaalsContact CB-CE 3.5Å; L94-K299 HydrophobicContact CD1-CD 4.31Å; L94-K299 HydrophobicContact CD2-CD 3.59Å; L94-K299 HydrophobicContact CG-CD 4.13Å
95	V	96.4	Very high	92	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.4	177.1	-172.3	0	0	0	0	108.7	F37 G83 F84 S110 F126	F37-V95 HydrophobicContact CE1-CG2 3.6Å; F37-V95 HydrophobicContact CZ-CG2 4Å; G83-V95 CarbonylContact C-O 3.51Å; G83-V95 WeakPolarHBondContact CA-O 3.33Å; F84-V95 HydrophobicContact CD1-CB 4.06Å; F84-V95 HydrophobicContact CD1-CG1 4.22Å; F84-V95 HydrophobicContact CD2-CB 3.94Å; F84-V95 HydrophobicContact CD2-CG2 3.91Å; F84-V95 HydrophobicContact CE1-CB 3.81Å; F84-V95 HydrophobicContact CE1-CG1 3.59Å; F84-V95 HydrophobicContact CE1-CG2 4.32Å; F84-V95 HydrophobicContact CE2-CB 3.67Å; F84-V95 HydrophobicContact CE2-CG1 4.16Å; F84-V95 HydrophobicContact CE2-CG2 3.35Å; F84-V95 HydrophobicContact CG-CB 4.13Å; F84-V95 HydrophobicContact CZ-CB 3.62Å; F84-V95 HydrophobicContact CZ-CG1 3.56Å; F84-V95 HydrophobicContact CZ-CG2 3.61Å; F84-V95 PolarHBondContact N-O 2.84Å; F84-V95 WeakPolarHBondContact O-CA 3.39Å; F84-V95 WeakPolarHBondContact O-CB 3.38Å; F84-V95 PolarHBondContact O-N 3.32Å; V95-S110 VanDerWaalsContact CG1-CB 3.47Å; V95-F126 HydrophobicContact CG2-CE2 3.97Å; V95-F126 HydrophobicContact CG2-CZ 3.97Å
96	I	94.5	Very high	91.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.3	167.9	-58.8	-58.3	0	0	0	107.7	T22 L94 Y99 S110 M111 M113	T22-I96 HydrophobicContact CG2-CG2 4.22Å; L94-I96 HydrophobicContact CD1-CD1 4.1Å; L94-I96 HydrophobicContact CD2-CD1 4.28Å; L94-I96 HydrophobicContact CD2-CG1 4.39Å; L94-I96 HydrophobicContact CG-CD1 4.22Å; L94-I96 HydrophobicContact CG-CG1 4.38Å; I96-Y99 HydrophobicContact CG2-CE1 4.41Å; I96-S110 CarbonylContact O-C 3.57Å; I96-S110 WeakPolarHBondContact O-CA 3.39Å; I96-M111 HydrophobicContact CB-CB 4.45Å; I96-M111 HydrophobicContact CB-CG 4.47Å; I96-M111 HydrophobicContact CG2-CG 4.16Å; I96-M111 PolarHBondContact O-N 3.46Å; I96-M113 HydrophobicContact CB-CE 4.48Å; I96-M113 HydrophobicContact CB-SD 3.9Å; I96-M113 HydrophobicContact CG1-CE 3.62Å; I96-M113 HydrophobicContact CG1-SD 3.68Å
97	F	93.5	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	143.9	179.5	-67.3	-60	0	0	0	111.1	A24 C26 A31 W35 L78 Q82 F84 Y99 C107 K109 M111	A24-F97 HydrophobicContact CB-CB 3.95Å; C26-F97 HydrophobicContact CB-CD2 3.4Å; C26-F97 VanDerWaalsContact CB-CD2 3.4Å; C26-F97 HydrophobicContact CB-CE1 4.43Å; C26-F97 HydrophobicContact CB-CE2 3.29Å; C26-F97 HydrophobicContact CB-CG 4.07Å; C26-F97 HydrophobicContact CB-CZ 3.85Å; C26-F97 WeakPolarHBondContact SG-CD2 3.4Å; A31-F97 HydrophobicContact CB-CZ 3.98Å; W35-F97 HydrophobicContact CH2-CD1 4.29Å; W35-F97 AromaticContact CH2-CE1 3.99Å; W35-F97 HydrophobicContact CH2-CE1 3.99Å; W35-F97 HydrophobicContact CZ2-CE1 4.07Å; L78-F97 HydrophobicContact CD1-CE2 4.38Å; L78-F97 HydrophobicContact CD1-CZ 4.41Å; Q82-F97 VanDerWaalsContact O-CD2 3.27Å; Q82-F97 WeakPolarHBondContact O-CD2 3.42Å; Q82-F97 PolarHBondContact O-N 3.07Å; F84-F97 AromaticContact CD1-CE1 3.94Å; F84-F97 HydrophobicContact CD1-CE1 3.94Å; F84-F97 AromaticContact CD1-CZ 3.77Å; F84-F97 HydrophobicContact CD1-CZ 3.77Å; F84-F97 AromaticContact CE1-CE1 3.85Å; F84-F97 HydrophobicContact CE1-CE1 3.85Å; F84-F97 HydrophobicContact CE1-CZ 4.17Å; F97-Y99 WeakPolarHBondContact O-CD1 3.29Å; F97-Y99 PolarHBondContact O-N 3Å; F97-C107 HydrophobicContact CD1-CB 4.46Å; F97-C107 WeakPolarHBondContact CD1-O 3.16Å; F97-C107 WeakPolarHBondContact CE1-O 3.27Å; F97-K109 CarbonylContact C-O 3.57Å; F97-K109 WeakPolarHBondContact CA-O 3.45Å; F97-M111 WeakPolarHBondContact O-CG 3.43Å
98	A	92.8	Very high	91.4	Very high	10 Å²	10	37.4 Å²	37.4	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	136	-176.9	0	0	0	0	0	110.7	F105 N106 K109 M111	A98-F105 CarbonylContact O-C 3.49Å; A98-F105 VanDerWaalsContact O-CA 3.26Å; A98-F105 WeakPolarHBondContact O-CA 3.23Å; A98-N106 HydrophobicContact CB-CB 4.3Å; A98-N106 PolarHBondContact N-O 3.09Å; A98-N106 PolarHBondContact O-N 3.27Å; A98-K109 HydrophobicContact CB-CB 3.84Å; A98-K109 PolarHBondContact N-O 2.94Å; A98-M111 HydrophobicContact CB-SD 4.37Å
99	Y	88.8	Confident	91.3	Very high	38 Å²	38	40.2 Å²	40.2	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.9	172.3	66.8	-82.5	0	0	0	111.6	C19 T22 P23 I96 F97 E104 M111	C19-Y99 HydrophobicContact CB-CE1 3.89Å; C19-Y99 HydrophobicContact CB-CE2 4.16Å; C19-Y99 VanDerWaalsContact CB-CZ 3.41Å; C19-Y99 WeakPolarHBondContact CB-OH 3.17Å; C19-Y99 PolarHBondContact SG-OH 2.72Å; T22-Y99 HydrophobicContact CG2-CD1 3.85Å; T22-Y99 HydrophobicContact CG2-CE1 3.63Å; P23-Y99 HydrophobicContact CG-CD2 3.91Å; P23-Y99 HydrophobicContact CG-CG 4.01Å; I96-Y99 HydrophobicContact CG2-CE1 4.41Å; F97-Y99 WeakPolarHBondContact O-CD1 3.29Å; F97-Y99 PolarHBondContact O-N 3Å; Y99-E104 CarbonylContact C-O 3.54Å; Y99-E104 WeakPolarHBondContact CA-O 3.47Å; Y99-E104 WeakPolarHBondContact CB-O 3.32Å; Y99-M111 HydrophobicContact CD1-CG 4.05Å; Y99-M111 HydrophobicContact CD1-SD 3.95Å; Y99-M111 HydrophobicContact CE1-CE 3.88Å; Y99-M111 HydrophobicContact CE1-CG 3.7Å; Y99-M111 HydrophobicContact CE1-SD 3.81Å; Y99-M111 PolarHBondContact N-SD 2.86Å; Y99-M111 VanDerWaalsContact N-SD 3.4Å
100	K	85.3	Confident	91.3	Very high	89 Å²	89	36.3 Å²	36.3	39%	0.387	19%	0.186	S	C	.	.			trans	-121.3	158.7	179.1	-61.2	-179.4	-167.7	163.2	0	110	N102 G103 E104 F137	K100-N102 VanDerWaalsContact CB-OD1 3.24Å; K100-N102 WeakPolarHBondContact CB-OD1 3.49Å; K100-N102 PolarHBondContact O-N 3.06Å; K100-N102 VanDerWaalsContact O-N 3.11Å; K100-G103 PolarHBondContact O-N 2.9Å; K100-E104 HydrophobicContact CB-CB 4.24Å; K100-E104 HydrophobicContact CD-CB 4.17Å; K100-E104 WeakPolarHBondContact CD-OE2 3.26Å; K100-E104 WeakPolarHBondContact CE-OE2 3.31Å; K100-E104 HydrophobicContact CG-CB 4.41Å; K100-E104 PolarHBondContact N-O 3.2Å; K100-E104 IonicContact NZ-OE2 3.82Å; K100-E104 PolarHBondContact NZ-OE2 3.15Å; K100-F137 HydrophobicContact CD-CE1 4.39Å; K100-F137 HydrophobicContact CG-CE1 4.19Å
101	S	78.9	Confident	91.2	Very high	133 Å²	133	31.4 Å²	31.4	93%	0.93	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.3	179	55.2	0	0	0	0	114.3	G103	S101-G103 VanDerWaalsContact C-N 3.27Å; S101-G103 PolarHBondContact O-N 3.2Å
102	N	78.6	Confident	91.1	Very high	99 Å²	99	30.4 Å²	30.4	53%	0.529	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.9	175.9	71.7	-14.1	0	0	0	113.8	K100 E104	K100-N102 VanDerWaalsContact CB-OD1 3.24Å; K100-N102 WeakPolarHBondContact CB-OD1 3.49Å; K100-N102 PolarHBondContact O-N 3.06Å; K100-N102 VanDerWaalsContact O-N 3.11Å; N102-E104 PolarHBondContact ND2-OE1 2.78Å; N102-E104 WeakPolarHBondContact OD1-CB 3.22Å; N102-E104 WeakPolarHBondContact OD1-CG 3.33Å; N102-E104 PolarHBondContact OD1-N 3.33Å; N102-E104 VanDerWaalsContact OD1-N 3.16Å
103	G	78.2	Confident	91	Very high	6 Å²	6	29.5 Å²	29.5	6%	0.062	16%	0.159	C	C	.	.	S	Bend	trans	89.3	1	-179.9	0	0	0	0	0	114.6	K100 S101 N140	K100-G103 PolarHBondContact O-N 2.9Å; S101-G103 VanDerWaalsContact C-N 3.27Å; S101-G103 PolarHBondContact O-N 3.2Å; G103-N140 PolarHBondContact O-N 3.39Å
104	E	86.1	Confident	90.8	Very high	40 Å²	40	29.8 Å²	29.8	19%	0.187	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	138.4	169.9	-75.1	171.5	-148.7	0	0	110.8	Y99 K100 N102 F137 H138 I139	Y99-E104 CarbonylContact C-O 3.54Å; Y99-E104 WeakPolarHBondContact CA-O 3.47Å; Y99-E104 WeakPolarHBondContact CB-O 3.32Å; K100-E104 HydrophobicContact CB-CB 4.24Å; K100-E104 HydrophobicContact CD-CB 4.17Å; K100-E104 WeakPolarHBondContact CD-OE2 3.26Å; K100-E104 WeakPolarHBondContact CE-OE2 3.31Å; K100-E104 HydrophobicContact CG-CB 4.41Å; K100-E104 PolarHBondContact N-O 3.2Å; K100-E104 IonicContact NZ-OE2 3.82Å; K100-E104 PolarHBondContact NZ-OE2 3.15Å; N102-E104 PolarHBondContact ND2-OE1 2.78Å; N102-E104 WeakPolarHBondContact OD1-CB 3.22Å; N102-E104 WeakPolarHBondContact OD1-CG 3.33Å; N102-E104 PolarHBondContact OD1-N 3.33Å; N102-E104 VanDerWaalsContact OD1-N 3.16Å; E104-F137 HydrophobicContact CB-CB 4.34Å; E104-F137 HydrophobicContact CB-CD1 4Å; E104-H138 CarbonylContact C-O 3.59Å; E104-H138 WeakPolarHBondContact CA-O 3.21Å; E104-I139 HydrophobicContact CG-CD1 4.36Å; E104-I139 HydrophobicContact CG-CG1 3.54Å
105	F	90	Very high	90.8	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.057	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.5	176.3	69.4	-87.1	0	0	0	111.9	P23 A24 N25 A98 F137 H138 N140	P23-F105 WeakPolarHBondContact O-CD1 3.45Å; A24-F105 HydrophobicContact CB-CB 4.06Å; A24-F105 HydrophobicContact CB-CD2 4.35Å; A24-F105 HydrophobicContact CB-CG 4.41Å; N25-F105 HydrophobicContact CB-CE1 4.3Å; N25-F105 HydrophobicContact CB-CE2 4.14Å; N25-F105 HydrophobicContact CB-CZ 3.8Å; N25-F105 WeakPolarHBondContact O-CE2 3.36Å; A98-F105 CarbonylContact O-C 3.49Å; A98-F105 VanDerWaalsContact O-CA 3.26Å; A98-F105 WeakPolarHBondContact O-CA 3.23Å; F105-F137 CarbonylContact O-C 3.56Å; F105-F137 VanDerWaalsContact O-CA 3.29Å; F105-F137 WeakPolarHBondContact O-CA 3.35Å; F105-H138 HydrophobicContact CD1-CB 4.24Å; F105-H138 WeakPolarHBondContact CD1-O 3.48Å; F105-H138 HydrophobicContact CD2-CB 4.39Å; F105-H138 HydrophobicContact CE1-CB 3.75Å; F105-H138 HydrophobicContact CE2-CB 3.92Å; F105-H138 HydrophobicContact CZ-CB 3.58Å; F105-H138 PolarHBondContact N-O 3.4Å; F105-H138 PolarHBondContact O-N 3.13Å; F105-N140 HydrophobicContact CD1-CB 4.18Å; F105-N140 HydrophobicContact CE1-CB 3.84Å
106	N	92.9	Very high	90.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	113.2	-176.6	-175.9	-28.4	0	0	0	110.2	A98 H108 K109 D135 F137	A98-N106 HydrophobicContact CB-CB 4.3Å; A98-N106 PolarHBondContact N-O 3.09Å; A98-N106 PolarHBondContact O-N 3.27Å; N106-H108 PolarHBondContact O-N 2.71Å; N106-H108 WeakPolarHBondContact OD1-CA 3.5Å; N106-H108 WeakPolarHBondContact OD1-CB 3.46Å; N106-H108 PolarHBondContact OD1-N 3.07Å; N106-K109 PolarHBondContact OD1-N 3.32Å; N106-D135 PolarHBondContact ND2-OD1 2.92Å; N106-F137 HydrophobicContact CB-CD1 3.79Å; N106-F137 HydrophobicContact CB-CD2 4.32Å; N106-F137 HydrophobicContact CB-CE1 3.71Å; N106-F137 HydrophobicContact CB-CE2 4.24Å; N106-F137 HydrophobicContact CB-CG 4.12Å; N106-F137 HydrophobicContact CB-CZ 3.94Å; N106-F137 WeakPolarHBondContact ND2-CE2 3.03Å
107	C	92.4	Very high	90.9	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-4.1	-176.9	-54	0	0	0	0	114.3	C26 D30 W35 F97	C26-C107 WeakPolarHBondContact CA-SG 3.39Å; C26-C107 HydrophobicContact CB-CB 3.62Å; C26-C107 WeakPolarHBondContact CB-SG 3.29Å; C26-C107 WeakPolarHBondContact SG-CA 3.47Å; C26-C107 WeakPolarHBondContact SG-CB 3.22Å; C26-C107 CovalentContact SG-SG 2.03Å; C26-C107 PolarHBondContact SG-SG 3.18Å; D30-C107 HydrophobicContact CB-CB 3.64Å; W35-C107 VanDerWaalsContact CH2-O 3.27Å; W35-C107 WeakPolarHBondContact CH2-O 3.19Å; W35-C107 WeakPolarHBondContact CZ2-O 3.34Å; F97-C107 HydrophobicContact CD1-CB 4.46Å; F97-C107 WeakPolarHBondContact CD1-O 3.16Å; F97-C107 WeakPolarHBondContact CE1-O 3.27Å
108	H	95.5	Very high	90.9	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.153	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	6.1	-176.8	-58.1	157.8	0	0	0	112.7	W35 N106 E129 K130 V133 H134	W35-H108 VanDerWaalsContact CH2-C 3.46Å; N106-H108 PolarHBondContact O-N 2.71Å; N106-H108 WeakPolarHBondContact OD1-CA 3.5Å; N106-H108 WeakPolarHBondContact OD1-CB 3.46Å; N106-H108 PolarHBondContact OD1-N 3.07Å; H108-E129 CarbonylContact O-C 3.48Å; H108-E129 WeakPolarHBondContact O-CA 3.44Å; H108-K130 HydrophobicContact CB-CB 3.93Å; H108-K130 PolarHBondContact O-N 3.31Å; H108-V133 HydrophobicContact CB-CG2 3.81Å; H108-H134 PolarHBondContact ND1-O 3.01Å
109	K	95.3	Very high	90.9	Very high	64 Å²	64	37.5 Å²	37.5	28%	0.278	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153	176.2	-72.8	-172.3	170.2	-179.9	0	110.1	F97 A98 N106 A128 E129 D135	F97-K109 CarbonylContact C-O 3.57Å; F97-K109 WeakPolarHBondContact CA-O 3.45Å; A98-K109 HydrophobicContact CB-CB 3.84Å; A98-K109 PolarHBondContact N-O 2.94Å; N106-K109 PolarHBondContact OD1-N 3.32Å; K109-A128 CarbonylContact C-O 3.59Å; K109-A128 WeakPolarHBondContact CA-O 3.22Å; K109-E129 HydrophobicContact CG-CB 4.38Å; K109-D135 WeakPolarHBondContact CD-OD1 3.38Å; K109-D135 VanDerWaalsContact CE-CG 3.44Å; K109-D135 VanDerWaalsContact CE-OD1 3.29Å; K109-D135 WeakPolarHBondContact CE-OD1 3.45Å; K109-D135 WeakPolarHBondContact CE-OD2 3.25Å; K109-D135 IonicContact NZ-OD1 2.71Å; K109-D135 PolarHBondContact NZ-OD1 3.01Å; K109-D135 IonicContact NZ-OD2 3.86Å; K109-D135 PolarHBondContact NZ-OD2 2.89Å
110	S	95.2	Very high	91.1	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	155.3	172	83.3	0	0	0	0	112.3	V95 I96 V127 A128	V95-S110 VanDerWaalsContact CG1-CB 3.47Å; I96-S110 CarbonylContact O-C 3.57Å; I96-S110 WeakPolarHBondContact O-CA 3.39Å; S110-V127 WeakPolarHBondContact OG-CA 3.49Å; S110-A128 PolarHBondContact N-O 2.85Å; S110-A128 PolarHBondContact OG-N 3.45Å
111	M	94	Very high	91.5	Very high	40 Å²	40	40.6 Å²	40.6	20%	0.197	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-61	161	153.2	-63.7	-60.8	-76.7	0	0	109.9	I96 F97 A98 Y99 M113	I96-M111 HydrophobicContact CB-CB 4.45Å; I96-M111 HydrophobicContact CB-CG 4.47Å; I96-M111 HydrophobicContact CG2-CG 4.16Å; I96-M111 PolarHBondContact O-N 3.46Å; F97-M111 WeakPolarHBondContact O-CG 3.43Å; A98-M111 HydrophobicContact CB-SD 4.37Å; Y99-M111 HydrophobicContact CD1-CG 4.05Å; Y99-M111 HydrophobicContact CD1-SD 3.95Å; Y99-M111 HydrophobicContact CE1-CE 3.88Å; Y99-M111 HydrophobicContact CE1-CG 3.7Å; Y99-M111 HydrophobicContact CE1-SD 3.81Å; Y99-M111 PolarHBondContact N-SD 2.86Å; Y99-M111 VanDerWaalsContact N-SD 3.4Å; M111-M113 HydrophobicContact CB-SD 4.27Å; M111-M113 WeakPolarHBondContact O-CG 3.42Å; M111-M113 PolarHBondContact O-N 3.34Å
112	P	94.7	Very high	92.2	Very high	22 Å²	22	40.7 Å²	40.7	14%	0.143	20%	0.199	C	C	.	.	S	Bend	trans	-65.3	121.7	167.2	-22.3	37.3	0	0	0	110.1	C46 E48 V127	C46-P112 HydrophobicContact CB-CB 3.74Å; C46-P112 WeakPolarHBondContact O-CB 3.31Å; E48-P112 HydrophobicContact CB-CG 4.26Å; E48-P112 HydrophobicContact CG-CG 3.87Å; P112-V127 HydrophobicContact CB-CG1 4.18Å; P112-V127 HydrophobicContact CG-CG1 4.15Å
113	M	94.7	Very high	93	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	170.9	-172.7	-65.8	-58.4	-60.5	0	0	111.3	T18 C46 L94 I96 M111 C125 F126	T18-M113 HydrophobicContact CG2-CE 3.62Å; T18-M113 HydrophobicContact CG2-SD 3.3Å; T18-M113 WeakPolarHBondContact CG2-SD 3.41Å; C46-M113 PolarHBondContact SG-O 3.14Å; L94-M113 HydrophobicContact CB-CE 4.35Å; L94-M113 HydrophobicContact CD2-CE 3.5Å; L94-M113 VanDerWaalsContact CD2-CE 3.5Å; L94-M113 HydrophobicContact CG-CE 3.81Å; L94-M113 VanDerWaalsContact O-CB 3.29Å; L94-M113 WeakPolarHBondContact O-CB 3.27Å; L94-M113 WeakPolarHBondContact O-CG 3.39Å; I96-M113 HydrophobicContact CB-CE 4.48Å; I96-M113 HydrophobicContact CB-SD 3.9Å; I96-M113 HydrophobicContact CG1-CE 3.62Å; I96-M113 HydrophobicContact CG1-SD 3.68Å; M111-M113 HydrophobicContact CB-SD 4.27Å; M111-M113 WeakPolarHBondContact O-CG 3.42Å; M111-M113 PolarHBondContact O-N 3.34Å; M113-C125 WeakPolarHBondContact O-CA 3.24Å; M113-F126 HydrophobicContact CB-CD1 4.12Å; M113-F126 HydrophobicContact CB-CE1 3.51Å; M113-F126 HydrophobicContact CB-CE2 4.46Å; M113-F126 HydrophobicContact CB-CZ 3.72Å; M113-F126 PolarHBondContact N-O 3.36Å; M113-F126 WeakPolarHBondContact O-CD1 3.42Å; M113-F126 PolarHBondContact O-N 2.76Å
114	W	93.7	Very high	93.8	Very high	17 Å²	17	40.4 Å²	40.4	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.2	173.4	-60.3	-90.3	0	0	0	112	L15 T18 Y42 Q43 S44 C46 W123 K124 F126	L15-W114 HydrophobicContact CD2-CH2 4.13Å; L15-W114 HydrophobicContact CD2-CZ2 4.33Å; T18-W114 HydrophobicContact CG2-CE3 4.38Å; T18-W114 HydrophobicContact CG2-CH2 4.33Å; T18-W114 HydrophobicContact CG2-CZ3 3.57Å; Y42-W114 AromaticContact CE2-CD1 3.86Å; Y42-W114 AromaticContact CE2-NE1 3.96Å; Q43-W114 PolarHBondContact O-NE1 3.17Å; S44-W114 VanDerWaalsContact O-CZ2 3.25Å; S44-W114 WeakPolarHBondContact O-CZ2 3.31Å; C46-W114 PolarHBondContact SG-NE1 3.32Å; W114-W123 HydrophobicContact CB-CE3 3.74Å; W114-W123 HydrophobicContact CB-CZ3 3.69Å; W114-W123 HydrophobicContact CG-CE3 4.26Å; W114-W123 HydrophobicContact CG-CZ3 4.34Å; W114-K124 WeakPolarHBondContact CA-O 3.2Å; W114-F126 WeakPolarHBondContact O-CE1 3.44Å
115	T	95.7	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148	169.1	172.8	0	0	0	0	109.7	R91 K92 W93 W123 K124 F126	R91-T115 VanDerWaalsContact CD-OG1 3.3Å; R91-T115 WeakPolarHBondContact CD-OG1 3.25Å; R91-T115 WeakPolarHBondContact CG-OG1 3.41Å; R91-T115 PolarHBondContact NH1-O 2.77Å; R91-T115 PolarHBondContact NH1-OG1 2.92Å; R91-T115 VanDerWaalsContact NH1-OG1 3.16Å; K92-T115 WeakPolarHBondContact O-CA 3.48Å; K92-T115 WeakPolarHBondContact O-CB 3.27Å; K92-T115 PolarHBondContact O-OG1 3.08Å; W93-T115 HydrophobicContact CE3-CG2 3.79Å; W93-T115 HydrophobicContact CH2-CG2 4.13Å; W93-T115 HydrophobicContact CZ3-CG2 3.53Å; T115-W123 CarbonylContact O-C 3.58Å; T115-W123 VanDerWaalsContact O-CA 3.3Å; T115-W123 WeakPolarHBondContact O-CA 3.21Å; T115-K124 HydrophobicContact CG2-CB 3.84Å; T115-K124 PolarHBondContact N-O 2.94Å; T115-K124 PolarHBondContact O-N 3.32Å; T115-F126 HydrophobicContact CG2-CD1 3.87Å
116	H	96.5	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	162.9	175.6	57.3	88.8	0	0	0	110.4	R91 K92 R121 W123 K299 D303	R91-H116 WeakPolarHBondContact CA-O 3.46Å; R91-H116 WeakPolarHBondContact CG-O 3.45Å; K92-H116 PolarHBondContact N-O 3.46Å; H116-R121 WeakPolarHBondContact CA-O 3.32Å; H116-R121 WeakPolarHBondContact CB-O 3.34Å; H116-W123 HydrophobicContact CB-CD2 3.79Å; H116-W123 HydrophobicContact CB-CE3 4.12Å; H116-W123 HydrophobicContact CB-CG 4.15Å; H116-W123 HydrophobicContact CB-CH2 4.46Å; H116-W123 HydrophobicContact CB-CZ2 4.15Å; H116-W123 HydrophobicContact CB-CZ3 4.44Å; H116-W123 AromaticContact CD2-CH2 3.31Å; H116-W123 WeakPolarHBondContact CD2-CH2 3.13Å; H116-W123 AromaticContact CD2-CZ2 3.67Å; H116-W123 AromaticContact CD2-CZ3 3.54Å; H116-W123 AromaticContact CG-CZ2 3.89Å; H116-W123 AromaticContact NE2-CH2 3.96Å; H116-K299 PolarHBondContact NE2-NZ 3.05Å; H116-D303 IonicContact CD2-OD1 3.29Å; H116-D303 IonicContact CE1-OD1 3.74Å; H116-D303 PolarHBondContact CE1-OD1 2.75Å; H116-D303 VanDerWaalsContact CE1-OD1 3.22Å; H116-D303 IonicContact NE2-OD1 3.62Å; H116-D303 PolarHBondContact NE2-OD1 3.12Å; H116-D303 VanDerWaalsContact NE2-OD1 3.09Å; H116-D303 IonicContact NE2-OD2 3.2Å
117	D	96.1	Very high	94.8	Very high	14 Å²	14	39.3 Å²	39.3	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	163.5	170.6	76.6	8.3	0	0	0	110.7	H90 L119 I120 R121	H90-D117 CarbonylContact O-C 3.53Å; H90-D117 WeakPolarHBondContact O-CA 3.45Å; H90-D117 WeakPolarHBondContact O-CB 3.48Å; D117-L119 PolarHBondContact O-N 3.42Å; D117-L119 VanDerWaalsContact OD1-C 3.22Å; D117-L119 WeakPolarHBondContact OD1-CA 3.1Å; D117-L119 PolarHBondContact OD1-N 3.17Å; D117-I120 PolarHBondContact O-N 3.39Å; D117-I120 PolarHBondContact OD1-N 2.73Å; D117-R121 PolarHBondContact N-O 2.84Å; D117-R121 WeakPolarHBondContact OD1-CA 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.47Å; D117-R121 PolarHBondContact OD1-N 2.83Å; D117-R121 IonicContact OD1-NE 3.26Å; D117-R121 IonicContact OD2-CZ 3.96Å; D117-R121 IonicContact OD2-NE 2.89Å; D117-R121 PolarHBondContact OD2-NE 3.05Å; D117-R121 IonicContact OD2-NH2 3.46Å; D117-R121 PolarHBondContact OD2-NH2 3Å
118	T	93.7	Very high	95	Very high	49 Å²	49	39.2 Å²	39.2	30%	0.301	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.3	179.5	51.9	0	0	0	0	113.8	T87 H90 K92	T87-T118 HydrophobicContact CG2-CG2 4.06Å; H90-T118 PolarHBondContact O-N 3.2Å; K92-T118 HydrophobicContact CG-CG2 4.16Å
119	L	93.3	Very high	95	Very high	112 Å²	112	41.4 Å²	41.4	59%	0.586	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	12.5	173.5	-62.3	173.5	0	0	0	111.5	D117 R121	D117-L119 PolarHBondContact O-N 3.42Å; D117-L119 VanDerWaalsContact OD1-C 3.22Å; D117-L119 WeakPolarHBondContact OD1-CA 3.1Å; D117-L119 PolarHBondContact OD1-N 3.17Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 WeakPolarHBondContact O-CG 3.41Å; L119-R121 PolarHBondContact O-N 2.71Å
120	I	92.9	Very high	95.1	Very high	55 Å²	55	39.8 Å²	39.8	28%	0.282	19%	0.191	S	C	.	.	S	Bend	trans	64.4	35.4	176	-39.2	175.5	0	0	0	112.3	D117 W123 E302	D117-I120 PolarHBondContact O-N 3.39Å; D117-I120 PolarHBondContact OD1-N 2.73Å; I120-W123 HydrophobicContact CG2-CZ2 3.71Å; I120-W123 PolarHBondContact O-NE1 2.82Å; I120-E302 HydrophobicContact CD1-CG 3.55Å; I120-E302 VanDerWaalsContact CD1-O 3.24Å; I120-E302 WeakPolarHBondContact CD1-O 3.31Å; I120-E302 HydrophobicContact CG1-CG 4.23Å
121	R	93	Very high	95.2	Very high	138 Å²	138	42.4 Å²	42.4	52%	0.521	20%	0.203	S	C	.	.			trans	-123.1	177.7	177.4	-52.5	171.8	-55.3	-178	7.2	110.3	H116 D117 L119 W123	H116-R121 WeakPolarHBondContact CA-O 3.32Å; H116-R121 WeakPolarHBondContact CB-O 3.34Å; D117-R121 PolarHBondContact N-O 2.84Å; D117-R121 WeakPolarHBondContact OD1-CA 3.27Å; D117-R121 WeakPolarHBondContact OD1-CB 3.47Å; D117-R121 PolarHBondContact OD1-N 2.83Å; D117-R121 IonicContact OD1-NE 3.26Å; D117-R121 IonicContact OD2-CZ 3.96Å; D117-R121 IonicContact OD2-NE 2.89Å; D117-R121 PolarHBondContact OD2-NE 3.05Å; D117-R121 IonicContact OD2-NH2 3.46Å; D117-R121 PolarHBondContact OD2-NH2 3Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 WeakPolarHBondContact O-CG 3.41Å; L119-R121 PolarHBondContact O-N 2.71Å; R121-W123 VanDerWaalsContact C-N 3.31Å; R121-W123 PolarHBondContact O-N 2.61Å
122	Q	94.1	Very high	95.1	Very high	134 Å²	134	44.5 Å²	44.5	63%	0.626	24%	0.235	S	C	*	.	S	Bend	trans	53.8	48.5	174.4	-54.3	-174.5	-19.1	0	0	112.8	R91	R91-Q122 PolarHBondContact NH1-O 3.49Å; R91-Q122 PolarHBondContact NH2-O 2.89Å
123	W	95.3	Very high	94.8	Very high	40 Å²	40	46.2 Å²	46.2	15%	0.152	24%	0.244	C	C	.	.			trans	-57.8	137.7	175	-69.8	84.5	0	0	0	110.5	Y42 W114 T115 H116 I120 R121 D303	Y42-W123 WeakPolarHBondContact CB-O 3.3Å; Y42-W123 HydrophobicContact CD2-CB 3.59Å; Y42-W123 HydrophobicContact CE2-CB 4Å; Y42-W123 HydrophobicContact CG-CB 4.27Å; W114-W123 HydrophobicContact CB-CE3 3.74Å; W114-W123 HydrophobicContact CB-CZ3 3.69Å; W114-W123 HydrophobicContact CG-CE3 4.26Å; W114-W123 HydrophobicContact CG-CZ3 4.34Å; T115-W123 CarbonylContact O-C 3.58Å; T115-W123 VanDerWaalsContact O-CA 3.3Å; T115-W123 WeakPolarHBondContact O-CA 3.21Å; H116-W123 HydrophobicContact CB-CD2 3.79Å; H116-W123 HydrophobicContact CB-CE3 4.12Å; H116-W123 HydrophobicContact CB-CG 4.15Å; H116-W123 HydrophobicContact CB-CH2 4.46Å; H116-W123 HydrophobicContact CB-CZ2 4.15Å; H116-W123 HydrophobicContact CB-CZ3 4.44Å; H116-W123 AromaticContact CD2-CH2 3.31Å; H116-W123 WeakPolarHBondContact CD2-CH2 3.13Å; H116-W123 AromaticContact CD2-CZ2 3.67Å; H116-W123 AromaticContact CD2-CZ3 3.54Å; H116-W123 AromaticContact CG-CZ2 3.89Å; H116-W123 AromaticContact NE2-CH2 3.96Å; I120-W123 HydrophobicContact CG2-CZ2 3.71Å; I120-W123 PolarHBondContact O-NE1 2.82Å; R121-W123 VanDerWaalsContact C-N 3.31Å; R121-W123 PolarHBondContact O-N 2.61Å; W123-D303 HydrophobicContact CH2-CB 4.24Å
124	K	95.8	Very high	94.1	Very high	59 Å²	59	54.4 Å²	54.4	26%	0.257	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.1	176.4	-73.4	-83.3	179	170.3	0	108.8	I39 G40 D41 W114 T115	I39-K124 HydrophobicContact CG2-CB 4.01Å; I39-K124 HydrophobicContact CG2-CD 4.16Å; I39-K124 HydrophobicContact CG2-CG 4.21Å; G40-K124 WeakPolarHBondContact O-CD 3.02Å; D41-K124 IonicContact OD1-NZ 2.71Å; D41-K124 PolarHBondContact OD1-NZ 2.94Å; W114-K124 WeakPolarHBondContact CA-O 3.2Å; T115-K124 HydrophobicContact CG2-CB 3.84Å; T115-K124 PolarHBondContact N-O 2.94Å; T115-K124 PolarHBondContact O-N 3.32Å
125	C	96.1	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	146.6	169.2	-76.2	0	0	0	0	110.3	G40 D41 Q43 C46 L50 M113	G40-C125 PolarHBondContact N-O 3.05Å; G40-C125 PolarHBondContact O-N 2.97Å; D41-C125 WeakPolarHBondContact O-CB 3.27Å; Q43-C125 PolarHBondContact N-SG 2.76Å; Q43-C125 VanDerWaalsContact N-SG 3.39Å; C46-C125 WeakPolarHBondContact CA-SG 3.25Å; C46-C125 HydrophobicContact CB-CB 3.65Å; C46-C125 WeakPolarHBondContact CB-SG 3.28Å; C46-C125 WeakPolarHBondContact SG-CA 3.19Å; C46-C125 WeakPolarHBondContact SG-CB 3.5Å; C46-C125 CovalentContact SG-SG 2.04Å; C46-C125 PolarHBondContact SG-SG 3.33Å; L50-C125 HydrophobicContact CD2-CB 3.6Å; M113-C125 WeakPolarHBondContact O-CA 3.24Å
126	F	96.8	Very high	92.6	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.7	173.4	82.1	-84.3	0	0	0	112.9	F37 H38 W93 L94 V95 M113 W114 T115 A128	F37-F126 AromaticContact CD1-CD2 3.58Å; F37-F126 HydrophobicContact CD1-CD2 3.58Å; F37-F126 AromaticContact CD1-CE2 3.51Å; F37-F126 HydrophobicContact CD1-CE2 3.51Å; F37-F126 HydrophobicContact CD1-CZ 4.42Å; F37-F126 HydrophobicContact CE1-CD2 4.22Å; F37-F126 AromaticContact CE1-CE2 3.66Å; F37-F126 HydrophobicContact CE1-CE2 3.66Å; F37-F126 HydrophobicContact CE1-CZ 4.35Å; H38-F126 WeakPolarHBondContact O-CA 3.28Å; H38-F126 WeakPolarHBondContact O-CB 3.2Å; W93-F126 HydrophobicContact CB-CZ 4.3Å; W93-F126 AromaticContact CE3-CD1 3.94Å; W93-F126 HydrophobicContact CE3-CD1 3.94Å; W93-F126 HydrophobicContact CE3-CD2 4.14Å; W93-F126 HydrophobicContact CE3-CE1 4.09Å; W93-F126 HydrophobicContact CE3-CE2 4.3Å; W93-F126 AromaticContact CE3-CG 3.94Å; W93-F126 HydrophobicContact CE3-CG 3.94Å; W93-F126 HydrophobicContact CE3-CZ 4.25Å; W93-F126 HydrophobicContact CZ3-CB 4.13Å; W93-F126 HydrophobicContact CZ3-CD1 4.28Å; W93-F126 HydrophobicContact CZ3-CD2 4.44Å; W93-F126 HydrophobicContact CZ3-CG 4.03Å; L94-F126 VanDerWaalsContact O-CZ 3.26Å; L94-F126 WeakPolarHBondContact O-CZ 3.33Å; V95-F126 HydrophobicContact CG2-CE2 3.97Å; V95-F126 HydrophobicContact CG2-CZ 3.97Å; M113-F126 HydrophobicContact CB-CD1 4.12Å; M113-F126 HydrophobicContact CB-CE1 3.51Å; M113-F126 HydrophobicContact CB-CE2 4.46Å; M113-F126 HydrophobicContact CB-CZ 3.72Å; M113-F126 PolarHBondContact N-O 3.36Å; M113-F126 WeakPolarHBondContact O-CD1 3.42Å; M113-F126 PolarHBondContact O-N 2.76Å; W114-F126 WeakPolarHBondContact O-CE1 3.44Å; T115-F126 HydrophobicContact CG2-CD1 3.87Å; F126-A128 HydrophobicContact CD2-CB 4.34Å; F126-A128 HydrophobicContact CE2-CB 4.12Å
127	V	96.4	Very high	91.9	Very high	30 Å²	30	67.4 Å²	67.4	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149	161.6	-63.8	0	0	0	0	108	H38 L50 S110 P112	H38-V127 HydrophobicContact CB-CG2 3.95Å; H38-V127 PolarHBondContact N-O 2.64Å; H38-V127 PolarHBondContact O-N 2.86Å; H38-V127 VanDerWaalsContact O-N 3.09Å; L50-V127 HydrophobicContact CD1-CB 4.28Å; L50-V127 HydrophobicContact CD1-CG1 3.88Å; L50-V127 HydrophobicContact CD1-CG2 4.08Å; L50-V127 VanDerWaalsContact CD1-N 3.32Å; L50-V127 HydrophobicContact CG-CG1 4.5Å; S110-V127 WeakPolarHBondContact OG-CA 3.49Å; P112-V127 HydrophobicContact CB-CG1 4.18Å; P112-V127 HydrophobicContact CG-CG1 4.15Å
128	A	96.6	Very high	91.2	Very high	4 Å²	4	70.4 Å²	70.4	3%	0.033	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.5	179.9	0	0	0	0	0	111.1	W35 K36 F37 K109 S110 F126	W35-A128 HydrophobicContact CE3-CB 3.9Å; W35-A128 HydrophobicContact CZ3-CB 4.36Å; K36-A128 VanDerWaalsContact O-CA 3.29Å; K36-A128 WeakPolarHBondContact O-CA 3.29Å; F37-A128 HydrophobicContact CD1-CB 3.75Å; F37-A128 HydrophobicContact CD2-CB 4.45Å; F37-A128 HydrophobicContact CE1-CB 3.81Å; F37-A128 HydrophobicContact CE2-CB 4.48Å; F37-A128 HydrophobicContact CG-CB 4.07Å; F37-A128 HydrophobicContact CZ-CB 4.18Å; K109-A128 CarbonylContact C-O 3.59Å; K109-A128 WeakPolarHBondContact CA-O 3.22Å; S110-A128 PolarHBondContact N-O 2.85Å; S110-A128 PolarHBondContact OG-N 3.45Å; F126-A128 HydrophobicContact CD2-CB 4.34Å; F126-A128 HydrophobicContact CE2-CB 4.12Å
129	E	95.9	Very high	90	Very high	78 Å²	78	73.7 Å²	73.7	36%	0.364	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.8	174.2	66.7	-171.9	159.6	0	0	111	W35 K36 H38 H108 K109	W35-E129 CarbonylContact C-O 3.37Å; W35-E129 WeakPolarHBondContact CA-O 3.37Å; K36-E129 HydrophobicContact CB-CG 4.36Å; K36-E129 PolarHBondContact N-O 2.91Å; K36-E129 PolarHBondContact O-N 3.45Å; H38-E129 IonicContact CD2-OE1 3.96Å; H38-E129 IonicContact CE1-OE1 3.22Å; H38-E129 IonicContact NE2-OE1 3.09Å; H38-E129 PolarHBondContact NE2-OE1 3.24Å; H108-E129 CarbonylContact O-C 3.48Å; H108-E129 WeakPolarHBondContact O-CA 3.44Å; K109-E129 HydrophobicContact CG-CB 4.38Å
130	K	97.1	Very high	88.7	Confident	30 Å²	30	69.5 Å²	69.5	13%	0.13	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.4	178.2	-165.5	175.6	-173.2	178.8	0	109.6	E29 D30 H32 R34 W35 H108 V133	E29-K130 PolarHBondContact O-NZ 2.81Å; E29-K130 VanDerWaalsContact O-NZ 3.11Å; D30-K130 WeakPolarHBondContact O-CD 3.18Å; D30-K130 PolarHBondContact O-NZ 3.42Å; H32-K130 WeakPolarHBondContact O-CE 3.33Å; H32-K130 PolarHBondContact O-NZ 2.84Å; R34-K130 WeakPolarHBondContact O-CA 3.49Å; W35-K130 HydrophobicContact CD2-CB 3.95Å; W35-K130 HydrophobicContact CD2-CG 4.39Å; W35-K130 HydrophobicContact CE3-CB 4.21Å; W35-K130 HydrophobicContact CH2-CB 4.16Å; W35-K130 HydrophobicContact CZ2-CB 3.87Å; W35-K130 HydrophobicContact CZ2-CD 4.17Å; W35-K130 HydrophobicContact CZ2-CG 4.27Å; W35-K130 HydrophobicContact CZ3-CB 4.32Å; H108-K130 HydrophobicContact CB-CB 3.93Å; H108-K130 PolarHBondContact O-N 3.31Å; K130-V133 HydrophobicContact CB-CG2 3.61Å; K130-V133 HydrophobicContact CD-CG1 4.27Å; K130-V133 HydrophobicContact CD-CG2 3.99Å; K130-V133 HydrophobicContact CG-CG1 4.5Å; K130-V133 HydrophobicContact CG-CG2 3.79Å; K130-V133 WeakPolarHBondContact O-CG2 3.45Å
131	I	96.4	Very high	86.9	Confident	68 Å²	68	74 Å²	74	35%	0.349	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	138.1	-176	-58.4	176	0	0	0	109.8	R34 K36 V57 V133	R34-I131 HydrophobicContact CB-CB 4.23Å; R34-I131 HydrophobicContact CB-CD1 4.24Å; R34-I131 PolarHBondContact O-N 3.28Å; K36-I131 HydrophobicContact CB-CD1 4.03Å; K36-I131 HydrophobicContact CB-CG1 4.04Å; V57-I131 HydrophobicContact CB-CD1 4.46Å; V57-I131 HydrophobicContact CG1-CD1 3.6Å; V57-I131 HydrophobicContact CG2-CD1 4Å; I131-V133 VanDerWaalsContact C-N 3.32Å; I131-V133 PolarHBondContact O-N 3.37Å
132	G	91.4	Very high	85	Confident	83 Å²	83	71.8 Å²	71.8	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	12	171.3	0	0	0	0	0	114.8
133	V	89	Confident	82.4	Confident	58 Å²	58	73.7 Å²	73.7	35%	0.352	37%	0.372	S	S	.	.	S	Bend	trans	-119.7	153.6	176.4	-65.2	0	0	0	0	110.8	H108 K130 I131	H108-V133 HydrophobicContact CB-CG2 3.81Å; K130-V133 HydrophobicContact CB-CG2 3.61Å; K130-V133 HydrophobicContact CD-CG1 4.27Å; K130-V133 HydrophobicContact CD-CG2 3.99Å; K130-V133 HydrophobicContact CG-CG1 4.5Å; K130-V133 HydrophobicContact CG-CG2 3.79Å; K130-V133 WeakPolarHBondContact O-CG2 3.45Å; I131-V133 VanDerWaalsContact C-N 3.32Å; I131-V133 PolarHBondContact O-N 3.37Å
134	H	79.6	Confident	80.2	Confident	173 Å²	173	73.7 Å²	73.7	80%	0.801	38%	0.384	S	S	*	.			trans	-76.6	138.8	176.5	-68.8	-69.5	0	0	0	111.5	H108 K136	H108-H134 PolarHBondContact ND1-O 3.01Å; H134-K136 PolarHBondContact O-N 3.34Å
135	D	79.8	Confident	77.8	Confident	91 Å²	91	74.8 Å²	74.8	49%	0.487	40%	0.4	S	S	.	.			trans	-69.9	105.8	173.1	-174.2	23.5	0	0	0	109.9	N106 K109	N106-D135 PolarHBondContact ND2-OD1 2.92Å; K109-D135 WeakPolarHBondContact CD-OD1 3.38Å; K109-D135 VanDerWaalsContact CE-CG 3.44Å; K109-D135 VanDerWaalsContact CE-OD1 3.29Å; K109-D135 WeakPolarHBondContact CE-OD1 3.45Å; K109-D135 WeakPolarHBondContact CE-OD2 3.25Å; K109-D135 IonicContact NZ-OD1 2.71Å; K109-D135 PolarHBondContact NZ-OD1 3.01Å; K109-D135 IonicContact NZ-OD2 3.86Å; K109-D135 PolarHBondContact NZ-OD2 2.89Å
136	K	79.7	Confident	75.8	Confident	134 Å²	134	83.3 Å²	83.3	58%	0.583	44%	0.437	S	S	*	.			trans	-136.4	120.1	-178.8	-169.9	176.4	-179.6	-179.1	0	110.4	H134 H138	H134-K136 PolarHBondContact O-N 3.34Å; K136-H138 PolarHBondContact O-CD2 2.92Å
137	F	80.8	Confident	74.2	Confident	66 Å²	66	87.6 Å²	87.6	29%	0.289	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-81.1	135.6	166.7	-77.9	-96.3	0	0	0	109.7	K100 E104 F105 N106	K100-F137 HydrophobicContact CD-CE1 4.39Å; K100-F137 HydrophobicContact CG-CE1 4.19Å; E104-F137 HydrophobicContact CB-CB 4.34Å; E104-F137 HydrophobicContact CB-CD1 4Å; F105-F137 CarbonylContact O-C 3.56Å; F105-F137 VanDerWaalsContact O-CA 3.29Å; F105-F137 WeakPolarHBondContact O-CA 3.35Å; N106-F137 HydrophobicContact CB-CD1 3.79Å; N106-F137 HydrophobicContact CB-CD2 4.32Å; N106-F137 HydrophobicContact CB-CE1 3.71Å; N106-F137 HydrophobicContact CB-CE2 4.24Å; N106-F137 HydrophobicContact CB-CG 4.12Å; N106-F137 HydrophobicContact CB-CZ 3.94Å; N106-F137 WeakPolarHBondContact ND2-CE2 3.03Å
138	H	80.4	Confident	73.2	Confident	77 Å²	77	88.8 Å²	88.8	36%	0.356	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.4	172.6	-63.2	-95.6	0	0	0	108.2	E104 F105 K136	E104-H138 CarbonylContact C-O 3.59Å; E104-H138 WeakPolarHBondContact CA-O 3.21Å; F105-H138 HydrophobicContact CD1-CB 4.24Å; F105-H138 WeakPolarHBondContact CD1-O 3.48Å; F105-H138 HydrophobicContact CD2-CB 4.39Å; F105-H138 HydrophobicContact CE1-CB 3.75Å; F105-H138 HydrophobicContact CE2-CB 3.92Å; F105-H138 HydrophobicContact CZ-CB 3.58Å; F105-H138 PolarHBondContact N-O 3.4Å; F105-H138 PolarHBondContact O-N 3.13Å; K136-H138 PolarHBondContact O-CD2 2.92Å
139	I	70.6	Confident	72.5	Confident	118 Å²	118	88.8 Å²	88.8	61%	0.605	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.6	171.1	-67.4	168.1	0	0	0	106.7	E104 K141	E104-I139 HydrophobicContact CG-CD1 4.36Å; E104-I139 HydrophobicContact CG-CG1 3.54Å; I139-K141 PolarHBondContact O-N 2.8Å
140	N	65.7	Low	72	Confident	24 Å²	24	94.2 Å²	94.2	13%	0.128	49%	0.487	C	S	.	.			trans	-72.7	109.7	164.5	-150.5	-7.4	0	0	0	106.5	P23 G103 F105 L142 M196	P23-N140 PolarHBondContact O-ND2 2.76Å; G103-N140 PolarHBondContact O-N 3.39Å; F105-N140 HydrophobicContact CD1-CB 4.18Å; F105-N140 HydrophobicContact CE1-CB 3.84Å; N140-L142 PolarHBondContact O-N 2.77Å; N140-M196 WeakPolarHBondContact OD1-CE 3.49Å
141	K	54.5	Low	71.7	Confident	150 Å²	150	95.6 Å²	95.6	65%	0.652	50%	0.498	S	S	*	.			trans	-68.2	85.6	171.9	-77.4	-173.8	-179	178.5	0	106.6	I139 F143	I139-K141 PolarHBondContact O-N 2.8Å; K141-F143 HydrophobicContact CB-CD2 3.8Å; K141-F143 HydrophobicContact CB-CE2 3.87Å; K141-F143 HydrophobicContact CD-CD2 4.41Å; K141-F143 HydrophobicContact CD-CE2 3.62Å; K141-F143 HydrophobicContact CD-CZ 4.23Å; K141-F143 HydrophobicContact CG-CE2 4.39Å; K141-F143 PolarHBondContact O-N 3.49Å
142	L	52	Low	71.5	Confident	91 Å²	91	96.6 Å²	96.6	48%	0.476	50%	0.504	S	S	.	.			trans	-61	88.8	165.1	-82	156.8	0	0	0	106.6	N140 G144 M196	N140-L142 PolarHBondContact O-N 2.77Å; L142-G144 PolarHBondContact O-N 3.48Å; L142-M196 HydrophobicContact CD2-CE 4.43Å
143	F	40.5	Very low	71.5	Confident	173 Å²	173	93 Å²	93	76%	0.759	46%	0.464	S	S	*	.			trans	-74.6	73.2	172.6	-93.6	-82	0	0	0	107.9	K141	K141-F143 HydrophobicContact CB-CD2 3.8Å; K141-F143 HydrophobicContact CB-CE2 3.87Å; K141-F143 HydrophobicContact CD-CD2 4.41Å; K141-F143 HydrophobicContact CD-CE2 3.62Å; K141-F143 HydrophobicContact CD-CZ 4.23Å; K141-F143 HydrophobicContact CG-CE2 4.39Å; K141-F143 PolarHBondContact O-N 3.49Å
144	G	48.5	Very low	71.6	Confident	40 Å²	40	94.6 Å²	94.6	41%	0.412	47%	0.467	S	S	.	.			trans	-123	105.8	171.1	0	0	0	0	0	108.6	L142 K146	L142-G144 PolarHBondContact O-N 3.48Å; G144-K146 VanDerWaalsContact C-N 3.26Å; G144-K146 PolarHBondContact O-N 2.97Å
145	S	45.7	Very low	72.2	Confident	83 Å²	83	87.8 Å²	87.8	58%	0.58	44%	0.437	S	S	*	.			trans	-57.8	98.1	161	174.4	0	0	0	0	107.1	S147 F148	S145-S147 PolarHBondContact O-N 3.29Å; S145-S147 PolarHBondContact OG-OG 2.98Å; S145-S147 VanDerWaalsContact OG-OG 3.12Å; S145-F148 PolarHBondContact O-N 2.9Å
146	K	55	Low	72.8	Confident	178 Å²	178	84.3 Å²	84.3	77%	0.774	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-15.6	179.6	-76.5	-173.2	176.5	-178.7	0	113.1	G144	G144-K146 VanDerWaalsContact C-N 3.26Å; G144-K146 PolarHBondContact O-N 2.97Å
147	S	63.5	Low	73.6	Confident	90 Å²	90	81.1 Å²	81.1	63%	0.629	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29	178.6	78.7	0	0	0	0	113.7	S145	S145-S147 PolarHBondContact O-N 3.29Å; S145-S147 PolarHBondContact OG-OG 2.98Å; S145-S147 VanDerWaalsContact OG-OG 3.12Å
148	F	75.5	Confident	74.3	Confident	56 Å²	56	80 Å²	80	25%	0.246	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-36.9	-172.2	-161.3	-95.8	0	0	0	113	S145 R150 T151 I183 Y389 F391 P393	S145-F148 PolarHBondContact O-N 2.9Å; F148-R150 PolarHBondContact O-N 2.8Å; F148-T151 WeakPolarHBondContact O-CB 3.42Å; F148-T151 PolarHBondContact O-N 3.49Å; F148-T151 PolarHBondContact O-OG1 2.72Å; F148-I183 HydrophobicContact CD1-CD1 3.6Å; F148-I183 HydrophobicContact CE1-CD1 3.26Å; F148-I183 HydrophobicContact CZ-CD1 4.17Å; F148-Y389 HydrophobicContact CE1-CD1 4.25Å; F148-Y389 HydrophobicContact CE1-CE1 4.12Å; F148-Y389 AromaticContact CZ-CD1 3.68Å; F148-Y389 HydrophobicContact CZ-CD1 3.68Å; F148-Y389 AromaticContact CZ-CE1 3.69Å; F148-Y389 HydrophobicContact CZ-CE1 3.69Å; F148-F391 HydrophobicContact CD1-CE2 4.3Å; F148-F391 AromaticContact CD1-CZ 3.79Å; F148-F391 HydrophobicContact CD1-CZ 3.79Å; F148-F391 HydrophobicContact CD2-CZ 4.11Å; F148-F391 HydrophobicContact CE1-CE2 4.36Å; F148-F391 AromaticContact CE1-CZ 3.78Å; F148-F391 HydrophobicContact CE1-CZ 3.78Å; F148-F391 HydrophobicContact CE2-CE1 4.36Å; F148-F391 HydrophobicContact CE2-CZ 4.09Å; F148-F391 AromaticContact CG-CZ 3.96Å; F148-F391 HydrophobicContact CG-CZ 3.96Å; F148-F391 HydrophobicContact CZ-CE1 4.34Å; F148-F391 AromaticContact CZ-CZ 3.92Å; F148-F391 HydrophobicContact CZ-CZ 3.92Å; F148-P393 HydrophobicContact CD1-CB 3.69Å; F148-P393 HydrophobicContact CE1-CB 3.24Å; F148-P393 HydrophobicContact CE1-CG 3.83Å; F148-P393 HydrophobicContact CZ-CB 4.31Å
149	G	80.7	Confident	75	Confident	3 Å²	3	76.5 Å²	76.5	3%	0.031	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	-177	0	0	0	0	0	114.6	T151 I183 D184	G149-T151 VanDerWaalsContact C-N 3.29Å; G149-T151 PolarHBondContact O-N 3.23Å; G149-I183 PolarHBondContact O-N 3.33Å; G149-D184 VanDerWaalsContact C-CG 3.41Å; G149-D184 WeakPolarHBondContact CA-OD1 3.29Å; G149-D184 WeakPolarHBondContact CA-OD2 3.33Å; G149-D184 PolarHBondContact O-N 2.89Å
150	R	86.1	Confident	76.3	Confident	192 Å²	192	71.1 Å²	71.1	73%	0.725	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.1	178.5	-64.8	-179.2	175.9	176.3	-3.9	114.3	F148 T182	F148-R150 PolarHBondContact O-N 2.8Å; R150-T182 VanDerWaalsContact O-CG2 3.31Å; R150-T182 WeakPolarHBondContact O-CG2 2.89Å
151	T	90.1	Very high	77.8	Confident	59 Å²	59	75.1 Å²	75.1	36%	0.362	39%	0.389	S	S	.	.	S	Bend	trans	-75.7	140.5	176.5	-54.9	0	0	0	0	109.6	F148 G149 T182 I183	F148-T151 WeakPolarHBondContact O-CB 3.42Å; F148-T151 PolarHBondContact O-N 3.49Å; F148-T151 PolarHBondContact O-OG1 2.72Å; G149-T151 VanDerWaalsContact C-N 3.29Å; G149-T151 PolarHBondContact O-N 3.23Å; T151-T182 VanDerWaalsContact O-CA 3.26Å; T151-T182 WeakPolarHBondContact O-CA 3.19Å; T151-I183 PolarHBondContact O-N 3.44Å
152	L	92.2	Very high	79.8	Confident	90 Å²	90	71.6 Å²	71.6	47%	0.471	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-57.5	139.3	172	-72.9	175.2	0	0	0	109.9	H154 T182	L152-H154 PolarHBondContact O-CD2 3.41Å; L152-H154 PolarHBondContact O-N 2.99Å; L152-T182 HydrophobicContact CD2-CG2 4.19Å
153	Y	91.5	Very high	82	Confident	6 Å²	6	67.3 Å²	67.3	2%	0.024	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.4	132.4	176.4	-177.4	-109.9	0	0	0	110	I155 L178 S179 Y181 I183 L186 E369 F373 Y389	Y153-I155 HydrophobicContact CD1-CG1 4.25Å; Y153-I155 HydrophobicContact CE1-CG1 4.18Å; Y153-L178 HydrophobicContact CD1-CB 4.07Å; Y153-L178 HydrophobicContact CE1-CB 4.36Å; Y153-S179 WeakPolarHBondContact O-CA 3.47Å; Y153-Y181 WeakPolarHBondContact CB-O 3.47Å; Y153-Y181 PolarHBondContact N-O 3.27Å; Y153-I183 HydrophobicContact CD2-CG1 4.25Å; Y153-L186 VanDerWaalsContact CB-CD1 3.5Å; Y153-L186 HydrophobicContact CD1-CD1 3.65Å; Y153-L186 HydrophobicContact CD2-CD1 3.73Å; Y153-L186 HydrophobicContact CE1-CD1 4.25Å; Y153-L186 HydrophobicContact CE2-CD1 4.34Å; Y153-L186 HydrophobicContact CG-CD1 3.33Å; Y153-E369 PolarHBondContact OH-OE1 2.57Å; Y153-F373 AromaticContact CE1-CZ 3.89Å; Y153-F373 HydrophobicContact CE1-CZ 3.89Å; Y153-F373 WeakPolarHBondContact OH-CE2 3.37Å; Y153-F373 VanDerWaalsContact OH-CZ 3.3Å; Y153-F373 WeakPolarHBondContact OH-CZ 3.29Å; Y153-Y389 HydrophobicContact CE2-CE2 4.2Å
154	H	90.9	Very high	84.7	Confident	92 Å²	92	61.8 Å²	61.8	43%	0.426	33%	0.33	S	S	.	.			trans	-104.9	109.4	179	-74.4	-83.3	0	0	0	108.7	L152 N156 H388 Y389	L152-H154 PolarHBondContact O-CD2 3.41Å; L152-H154 PolarHBondContact O-N 2.99Å; H154-N156 PolarHBondContact O-N 3.48Å; H154-H388 WeakPolarHBondContact CB-NE2 3.34Å; H154-H388 AromaticContact CG-NE2 3.79Å; H154-Y389 PolarHBondContact N-OH 2.92Å
155	I	92.8	Very high	87.1	Confident	31 Å²	31	64.2 Å²	64.2	16%	0.159	35%	0.346	C	S	.	.			trans	-62.4	129	174.9	-62.5	170.5	0	0	0	108.9	Y153 P157 I174 Y175 L178 S179 F373	Y153-I155 HydrophobicContact CD1-CG1 4.25Å; Y153-I155 HydrophobicContact CE1-CG1 4.18Å; I155-P157 WeakPolarHBondContact O-CD 3.3Å; I155-I174 HydrophobicContact CD1-CG2 4.19Å; I155-I174 HydrophobicContact CG2-CD1 4.48Å; I155-I174 HydrophobicContact CG2-CG1 4.23Å; I155-I174 HydrophobicContact CG2-CG2 3.97Å; I155-Y175 WeakPolarHBondContact CD1-O 3.42Å; I155-L178 HydrophobicContact CD1-CB 4.12Å; I155-L178 HydrophobicContact CG1-CB 4.19Å; I155-S179 WeakPolarHBondContact CD1-OG 3.45Å; I155-S179 VanDerWaalsContact CG1-OG 3.31Å; I155-S179 WeakPolarHBondContact CG1-OG 3.32Å; I155-F373 HydrophobicContact CG2-CE1 4.13Å
156	N	93	Very high	89.5	Confident	17 Å²	17	65.7 Å²	65.7	9%	0.091	34%	0.344	C	S	.	.			trans	-105.6	102.8	173.6	-177.6	5.7	0	0	0	110.4	H154 S158 F159 N386 D387 H388	H154-N156 PolarHBondContact O-N 3.48Å; N156-S158 PolarHBondContact O-N 2.86Å; N156-S158 VanDerWaalsContact OD1-CB 3.28Å; N156-S158 WeakPolarHBondContact OD1-CB 3.47Å; N156-S158 PolarHBondContact OD1-N 3.44Å; N156-S158 VanDerWaalsContact OD1-N 3.17Å; N156-F159 HydrophobicContact CB-CB 3.98Å; N156-F159 VanDerWaalsContact O-CB 3.29Å; N156-F159 WeakPolarHBondContact O-CB 3.48Å; N156-F159 PolarHBondContact O-N 2.96Å; N156-N386 WeakPolarHBondContact CB-OD1 3.47Å; N156-N386 PolarHBondContact ND2-OD1 3.41Å; N156-D387 PolarHBondContact ND2-OD1 2.84Å; N156-H388 HydrophobicContact CB-CB 3.85Å; N156-H388 PolarHBondContact ND2-N 2.84Å
157	P	95.3	Very high	91.4	Very high	67 Å²	67	58 Å²	58	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-36.6	178.1	-26.5	35.7	0	0	0	113.6	I155 F159 V160 D161 I174	I155-P157 WeakPolarHBondContact O-CD 3.3Å; P157-F159 PolarHBondContact O-N 3.48Å; P157-V160 PolarHBondContact O-N 3.39Å; P157-V160 VanDerWaalsContact O-N 3.13Å; P157-D161 PolarHBondContact O-N 3.19Å; P157-I174 HydrophobicContact CB-CD1 3.87Å; P157-I174 HydrophobicContact CG-CD1 4.06Å
158	S	95.6	Very high	93	Very high	44 Å²	44	63.6 Å²	63.6	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-32.6	177	178.9	0	0	0	0	112.1	N156 K162	N156-S158 PolarHBondContact O-N 2.86Å; N156-S158 VanDerWaalsContact OD1-CB 3.28Å; N156-S158 WeakPolarHBondContact OD1-CB 3.47Å; N156-S158 PolarHBondContact OD1-N 3.44Å; N156-S158 VanDerWaalsContact OD1-N 3.17Å; S158-K162 WeakPolarHBondContact O-CB 3.04Å; S158-K162 WeakPolarHBondContact O-CD 3.25Å; S158-K162 WeakPolarHBondContact O-CG 3.18Å; S158-K162 PolarHBondContact O-N 3.21Å; S158-K162 VanDerWaalsContact OG-CE 3.3Å; S158-K162 WeakPolarHBondContact OG-CE 3.41Å
159	F	95.3	Very high	94	Very high	2 Å²	2	62 Å²	62	1%	0.009	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-46.7	176.4	-178.8	-127.7	0	0	0	111.5	N156 P157 K162 I163 E369 D370 F373 V384 N386	N156-F159 HydrophobicContact CB-CB 3.98Å; N156-F159 VanDerWaalsContact O-CB 3.29Å; N156-F159 WeakPolarHBondContact O-CB 3.48Å; N156-F159 PolarHBondContact O-N 2.96Å; P157-F159 PolarHBondContact O-N 3.48Å; F159-K162 PolarHBondContact O-N 2.92Å; F159-I163 HydrophobicContact CD1-CD1 3.98Å; F159-I163 HydrophobicContact CD2-CD1 4.24Å; F159-I163 HydrophobicContact CD2-CG1 4.47Å; F159-I163 HydrophobicContact CE1-CD1 3.72Å; F159-I163 HydrophobicContact CE2-CD1 3.99Å; F159-I163 HydrophobicContact CE2-CG1 4.25Å; F159-I163 HydrophobicContact CG-CD1 4.24Å; F159-I163 HydrophobicContact CZ-CD1 3.73Å; F159-I163 HydrophobicContact CZ-CG1 4.42Å; F159-I163 VanDerWaalsContact O-CG1 3.32Å; F159-I163 WeakPolarHBondContact O-CG1 3.33Å; F159-I163 PolarHBondContact O-N 3.2Å; F159-E369 HydrophobicContact CE1-CG 4.1Å; F159-E369 HydrophobicContact CZ-CG 4.45Å; F159-D370 HydrophobicContact CE1-CB 4.45Å; F159-D370 HydrophobicContact CZ-CB 4.08Å; F159-F373 HydrophobicContact CD1-CD2 4.17Å; F159-F373 AromaticContact CD1-CE2 3.8Å; F159-F373 HydrophobicContact CD1-CE2 3.8Å; F159-F373 HydrophobicContact CE1-CD2 4.02Å; F159-F373 AromaticContact CE1-CE2 3.84Å; F159-F373 HydrophobicContact CE1-CE2 3.84Å; F159-V384 HydrophobicContact CD2-CG1 3.87Å; F159-V384 HydrophobicContact CE2-CB 4.25Å; F159-V384 HydrophobicContact CE2-CG1 3.85Å; F159-V384 WeakPolarHBondContact CE2-O 3.28Å; F159-N386 HydrophobicContact CD1-CB 4.27Å; F159-N386 HydrophobicContact CD2-CB 3.88Å; F159-N386 HydrophobicContact CE1-CB 4.45Å; F159-N386 HydrophobicContact CE2-CB 4.09Å; F159-N386 HydrophobicContact CG-CB 3.98Å; F159-N386 HydrophobicContact CZ-CB 4.36Å
160	V	97.2	Very high	94.8	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.036	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-44.1	176.1	174	0	0	0	0	111.1	P157 K162 I163 N164 A172 I174 F373	P157-V160 PolarHBondContact O-N 3.39Å; P157-V160 VanDerWaalsContact O-N 3.13Å; V160-K162 PolarHBondContact O-N 3.11Å; V160-I163 PolarHBondContact O-N 3.09Å; V160-N164 PolarHBondContact O-N 3.24Å; V160-N164 VanDerWaalsContact O-N 3.08Å; V160-N164 PolarHBondContact O-ND2 3.08Å; V160-A172 HydrophobicContact CG1-CB 3.87Å; V160-I174 HydrophobicContact CB-CG1 4.31Å; V160-I174 HydrophobicContact CG1-CG1 4.39Å; V160-I174 HydrophobicContact CG2-CG1 3.9Å; V160-F373 HydrophobicContact CG2-CB 4.36Å; V160-F373 HydrophobicContact CG2-CD1 3.7Å; V160-F373 HydrophobicContact CG2-CE1 4.07Å; V160-F373 HydrophobicContact CG2-CG 3.98Å
161	D	97.4	Very high	95.4	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	30%	0.3	S	S	*	.	H	α-helix	trans	-61.8	-42.7	177.4	-68.2	-25.6	0	0	0	111.8	P157 N164 A165	P157-D161 PolarHBondContact O-N 3.19Å; D161-N164 PolarHBondContact O-N 2.77Å; D161-A165 WeakPolarHBondContact O-CB 3.37Å; D161-A165 PolarHBondContact O-N 3.27Å
162	K	97.4	Very high	95.8	Very high	77 Å²	77	54.4 Å²	54.4	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-40.8	176.8	-74.5	169.2	-173	170.1	0	112.5	S158 F159 V160 N164 A165 H166 V384 D387	S158-K162 WeakPolarHBondContact O-CB 3.04Å; S158-K162 WeakPolarHBondContact O-CD 3.25Å; S158-K162 WeakPolarHBondContact O-CG 3.18Å; S158-K162 PolarHBondContact O-N 3.21Å; S158-K162 VanDerWaalsContact OG-CE 3.3Å; S158-K162 WeakPolarHBondContact OG-CE 3.41Å; F159-K162 PolarHBondContact O-N 2.92Å; V160-K162 PolarHBondContact O-N 3.11Å; K162-N164 VanDerWaalsContact C-N 3.34Å; K162-A165 PolarHBondContact O-N 3.4Å; K162-H166 WeakPolarHBondContact O-CB 3.27Å; K162-H166 PolarHBondContact O-N 2.79Å; K162-V384 HydrophobicContact CB-CG1 3.63Å; K162-V384 HydrophobicContact CD-CG1 4.45Å; K162-D387 IonicContact NZ-OD1 3.86Å; K162-D387 PolarHBondContact NZ-OD1 3.37Å; K162-D387 VanDerWaalsContact NZ-OD1 3.14Å; K162-D387 IonicContact NZ-OD2 2.71Å; K162-D387 PolarHBondContact NZ-OD2 2.66Å
163	I	97.6	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.4	-50.7	174.9	-70.9	162.3	0	0	0	110	F159 V160 A165 H166 Q167 W170 A172 D370 T382 V384	F159-I163 HydrophobicContact CD1-CD1 3.98Å; F159-I163 HydrophobicContact CD2-CD1 4.24Å; F159-I163 HydrophobicContact CD2-CG1 4.47Å; F159-I163 HydrophobicContact CE1-CD1 3.72Å; F159-I163 HydrophobicContact CE2-CD1 3.99Å; F159-I163 HydrophobicContact CE2-CG1 4.25Å; F159-I163 HydrophobicContact CG-CD1 4.24Å; F159-I163 HydrophobicContact CZ-CD1 3.73Å; F159-I163 HydrophobicContact CZ-CG1 4.42Å; F159-I163 VanDerWaalsContact O-CG1 3.32Å; F159-I163 WeakPolarHBondContact O-CG1 3.33Å; F159-I163 PolarHBondContact O-N 3.2Å; V160-I163 PolarHBondContact O-N 3.09Å; I163-A165 VanDerWaalsContact C-N 3.28Å; I163-A165 PolarHBondContact O-N 2.9Å; I163-H166 PolarHBondContact O-N 3.11Å; I163-Q167 PolarHBondContact O-N 2.9Å; I163-W170 HydrophobicContact CD1-CH2 4.48Å; I163-W170 HydrophobicContact CG2-CH2 3.57Å; I163-W170 HydrophobicContact CG2-CZ2 3.66Å; I163-W170 HydrophobicContact CG2-CZ3 4.14Å; I163-A172 HydrophobicContact CB-CB 4.21Å; I163-A172 HydrophobicContact CD1-CB 4.39Å; I163-A172 HydrophobicContact CG2-CB 3.83Å; I163-D370 HydrophobicContact CD1-CB 3.78Å; I163-T382 HydrophobicContact CG2-CG2 4.4Å; I163-V384 HydrophobicContact CG1-CB 4.17Å; I163-V384 HydrophobicContact CG1-CG1 4.18Å; I163-V384 HydrophobicContact CG1-CG2 4.47Å
164	N	98.1	Very high	96.4	Very high	57 Å²	57	55.7 Å²	55.7	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-26.6	-178.9	-71.9	-32.4	0	0	0	113.2	V160 D161 K162 R171 A172	V160-N164 PolarHBondContact O-N 3.24Å; V160-N164 VanDerWaalsContact O-N 3.08Å; V160-N164 PolarHBondContact O-ND2 3.08Å; D161-N164 PolarHBondContact O-N 2.77Å; K162-N164 VanDerWaalsContact C-N 3.34Å; N164-R171 WeakPolarHBondContact OD1-CA 3.45Å; N164-A172 PolarHBondContact ND2-O 2.62Å; N164-A172 PolarHBondContact OD1-N 2.94Å
165	A	97.5	Very high	96.6	Very high	91 Å²	91	51.6 Å²	51.6	75%	0.752	27%	0.269	S	S	*	.	H	α-helix	trans	-81.8	-28.7	174.2	0	0	0	0	0	113.1	D161 K162 I163	D161-A165 WeakPolarHBondContact O-CB 3.37Å; D161-A165 PolarHBondContact O-N 3.27Å; K162-A165 PolarHBondContact O-N 3.4Å; I163-A165 VanDerWaalsContact C-N 3.28Å; I163-A165 PolarHBondContact O-N 2.9Å
166	H	96.7	Very high	96.8	Very high	115 Å²	115	54.5 Å²	54.5	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-80.9	-35.9	-174.3	-174.2	72.1	0	0	0	113.2	K162 I163 V384	K162-H166 WeakPolarHBondContact O-CB 3.27Å; K162-H166 PolarHBondContact O-N 2.79Å; I163-H166 PolarHBondContact O-N 3.11Å; H166-V384 HydrophobicContact CB-CG2 3.63Å
167	Q	95.7	Very high	96.8	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.075	30%	0.298	C	S	.	.			trans	-136.4	165.6	-179.3	64.9	70.7	38.1	0	0	111.7	I163 W170 T382	I163-Q167 PolarHBondContact O-N 2.9Å; Q167-W170 PolarHBondContact NE2-O 2.79Å; Q167-W170 PolarHBondContact OE1-O 3Å; Q167-T382 HydrophobicContact CG-CG2 3.68Å
168	K	95.7	Very high	96.8	Very high	208 Å²	208	53 Å²	53	90%	0.904	28%	0.277	S	S	*	.	S	Bend	trans	-127.6	-0.3	-176.3	-63.5	-173.9	179	-179.1	0	115.1
169	S	97	Very high	96.7	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	28%	0.279	C	S	.	.	S	Bend	trans	-76.5	-32.2	-175.6	-169.4	0	0	0	0	111.8	G377 I378 H380 E414	S169-G377 CarbonylContact O-C 3.54Å; S169-G377 WeakPolarHBondContact O-CA 3.46Å; S169-I378 PolarHBondContact O-N 2.78Å; S169-I378 WeakPolarHBondContact OG-CB 3.49Å; S169-I378 PolarHBondContact OG-O 3.22Å; S169-H380 WeakPolarHBondContact CB-CE1 3.37Å; S169-E414 PolarHBondContact OG-OE1 3.31Å; S169-E414 PolarHBondContact OG-OE2 2.04Å
170	W	98.2	Very high	96.6	Very high	9 Å²	9	60.7 Å²	60.7	3%	0.034	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164.7	176.4	64.7	-84.7	0	0	0	112.1	I163 Q167 A172 D370 Y374 E376 Y379 H380 T382	I163-W170 HydrophobicContact CD1-CH2 4.48Å; I163-W170 HydrophobicContact CG2-CH2 3.57Å; I163-W170 HydrophobicContact CG2-CZ2 3.66Å; I163-W170 HydrophobicContact CG2-CZ3 4.14Å; Q167-W170 PolarHBondContact NE2-O 2.79Å; Q167-W170 PolarHBondContact OE1-O 3Å; W170-A172 HydrophobicContact CE3-CB 4.42Å; W170-A172 HydrophobicContact CH2-CB 4.18Å; W170-A172 HydrophobicContact CZ3-CB 3.65Å; W170-D370 HydrophobicContact CH2-CB 4.08Å; W170-D370 HydrophobicContact CZ2-CB 4.29Å; W170-Y374 HydrophobicContact CB-CD2 4.43Å; W170-Y374 HydrophobicContact CB-CE2 4.27Å; W170-Y374 HydrophobicContact CD2-CD2 4.42Å; W170-Y374 AromaticContact CE3-CD2 3.97Å; W170-Y374 HydrophobicContact CE3-CD2 3.97Å; W170-E376 CarbonylContact C-O 3.46Å; W170-E376 WeakPolarHBondContact CA-O 3.36Å; W170-E376 VanDerWaalsContact CB-O 3.28Å; W170-E376 WeakPolarHBondContact CB-O 3.38Å; W170-Y379 HydrophobicContact CD2-CD2 4.03Å; W170-Y379 AromaticContact CE2-CD2 3.72Å; W170-Y379 HydrophobicContact CE3-CD2 4.43Å; W170-Y379 HydrophobicContact CG-CD2 4.49Å; W170-Y379 HydrophobicContact CH2-CD2 4.29Å; W170-Y379 HydrophobicContact CH2-CE2 4.17Å; W170-Y379 AromaticContact CZ2-CD2 3.87Å; W170-Y379 HydrophobicContact CZ2-CD2 3.87Å; W170-Y379 AromaticContact CZ2-CE2 3.77Å; W170-Y379 HydrophobicContact CZ2-CE2 3.77Å; W170-Y379 AromaticContact NE1-CD2 3.98Å; W170-H380 AromaticContact CD1-ND1 3.92Å; W170-H380 PolarHBondContact NE1-O 2.8Å; W170-T382 HydrophobicContact CZ2-CG2 3.9Å
171	R	98.2	Very high	96.5	Very high	85 Å²	85	62.3 Å²	62.3	32%	0.321	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.7	177.2	-173.9	173	64.1	83.6	-7.8	110.5	N164 E173 K375 E376	N164-R171 WeakPolarHBondContact OD1-CA 3.45Å; R171-E173 IonicContact CZ-OE2 3.76Å; R171-E173 IonicContact NH1-OE2 2.6Å; R171-E173 PolarHBondContact NH1-OE2 2.81Å; R171-E173 IonicContact NH2-OE2 3.79Å; R171-E173 PolarHBondContact NH2-OE2 3.23Å; R171-K375 VanDerWaalsContact O-CB 3.32Å; R171-K375 WeakPolarHBondContact O-CB 3.24Å; R171-K375 PolarHBondContact O-N 3.01Å; R171-E376 HydrophobicContact CB-CG 4.11Å; R171-E376 IonicContact CZ-OE1 3.72Å; R171-E376 PolarHBondContact N-O 2.7Å; R171-E376 IonicContact NE-OE1 3.39Å; R171-E376 PolarHBondContact NE-OE1 3.42Å; R171-E376 IonicContact NH2-OE1 2.61Å; R171-E376 PolarHBondContact NH2-OE1 3.21Å
172	A	98.3	Very high	96.3	Very high	2 Å²	2	58.4 Å²	58.4	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143.1	168.4	0	0	0	0	0	110.9	V160 I163 N164 W170 F373	V160-A172 HydrophobicContact CG1-CB 3.87Å; I163-A172 HydrophobicContact CB-CB 4.21Å; I163-A172 HydrophobicContact CD1-CB 4.39Å; I163-A172 HydrophobicContact CG2-CB 3.83Å; N164-A172 PolarHBondContact ND2-O 2.62Å; N164-A172 PolarHBondContact OD1-N 2.94Å; W170-A172 HydrophobicContact CE3-CB 4.42Å; W170-A172 HydrophobicContact CH2-CB 4.18Å; W170-A172 HydrophobicContact CZ3-CB 3.65Å; A172-F373 CarbonylContact C-O 3.33Å; A172-F373 VanDerWaalsContact CA-O 3.23Å; A172-F373 WeakPolarHBondContact CA-O 3.42Å; A172-F373 HydrophobicContact CB-CB 4.1Å
173	E	97.9	Very high	95.9	Very high	55 Å²	55	54.9 Å²	54.9	26%	0.257	28%	0.282	S	S	.	.			trans	-134.1	146.6	176.8	-173.8	167.2	101.9	0	0	110.4	R171 Y175 F373 K375	R171-E173 IonicContact CZ-OE2 3.76Å; R171-E173 IonicContact NH1-OE2 2.6Å; R171-E173 PolarHBondContact NH1-OE2 2.81Å; R171-E173 IonicContact NH2-OE2 3.79Å; R171-E173 PolarHBondContact NH2-OE2 3.23Å; E173-Y175 HydrophobicContact CB-CE2 4.44Å; E173-Y175 WeakPolarHBondContact O-CD2 2.95Å; E173-Y175 PolarHBondContact O-N 2.79Å; E173-F373 PolarHBondContact N-O 2.5Å; E173-F373 WeakPolarHBondContact O-CD1 3.13Å; E173-K375 HydrophobicContact CB-CB 3.73Å; E173-K375 HydrophobicContact CB-CD 4.33Å; E173-K375 HydrophobicContact CB-CG 4.03Å; E173-K375 WeakPolarHBondContact OE1-CD 3.03Å; E173-K375 VanDerWaalsContact OE1-CE 3.27Å; E173-K375 WeakPolarHBondContact OE1-CE 3.37Å; E173-K375 IonicContact OE1-NZ 3.95Å; E173-K375 PolarHBondContact OE1-NZ 3.32Å; E173-K375 IonicContact OE2-NZ 2.72Å
174	I	97.7	Very high	95.4	Very high	67 Å²	67	57.9 Å²	57.9	34%	0.344	30%	0.298	S	S	.	.			trans	-76	125.3	173.6	-69	172.6	0	0	0	109.2	I155 P157 V160 P176	I155-I174 HydrophobicContact CD1-CG2 4.19Å; I155-I174 HydrophobicContact CG2-CD1 4.48Å; I155-I174 HydrophobicContact CG2-CG1 4.23Å; I155-I174 HydrophobicContact CG2-CG2 3.97Å; P157-I174 HydrophobicContact CB-CD1 3.87Å; P157-I174 HydrophobicContact CG-CD1 4.06Å; V160-I174 HydrophobicContact CB-CG1 4.31Å; V160-I174 HydrophobicContact CG1-CG1 4.39Å; V160-I174 HydrophobicContact CG2-CG1 3.9Å; I174-P176 WeakPolarHBondContact O-CD 3Å
175	Y	97	Very high	95.1	Very high	7 Å²	7	58 Å²	58	3%	0.027	30%	0.296	C	S	.	.			trans	-104.8	98.5	171.2	-72.7	-73	0	0	0	109.5	I155 E173 E177 L178 Y374 K375 E426 W427 G428	I155-Y175 WeakPolarHBondContact CD1-O 3.42Å; E173-Y175 HydrophobicContact CB-CE2 4.44Å; E173-Y175 WeakPolarHBondContact O-CD2 2.95Å; E173-Y175 PolarHBondContact O-N 2.79Å; Y175-E177 WeakPolarHBondContact CA-OE2 3.43Å; Y175-E177 VanDerWaalsContact CD1-OE1 3.29Å; Y175-E177 WeakPolarHBondContact CD1-OE1 3.05Å; Y175-E177 PolarHBondContact O-N 3.12Å; Y175-L178 WeakPolarHBondContact O-CB 2.86Å; Y175-L178 WeakPolarHBondContact O-CG 3.37Å; Y175-L178 PolarHBondContact O-N 2.96Å; Y175-Y374 WeakPolarHBondContact CE2-O 3.26Å; Y175-Y374 PolarHBondContact OH-O 3.25Å; Y175-K375 VanDerWaalsContact OH-CD 3.27Å; Y175-K375 WeakPolarHBondContact OH-CD 3.38Å; Y175-E426 WeakPolarHBondContact CE1-O 3.28Å; Y175-W427 AromaticContact CE2-CD1 3.82Å; Y175-W427 AromaticContact CZ-CD1 3.95Å; Y175-G428 PolarHBondContact OH-N 3.46Å
176	P	95.6	Very high	94.8	Very high	92 Å²	92	53.7 Å²	53.7	60%	0.597	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25	-174.2	-25	35.2	0	0	0	114.2	I174 L178 S179	I174-P176 WeakPolarHBondContact O-CD 3Å; P176-L178 PolarHBondContact O-N 3.01Å; P176-S179 PolarHBondContact O-N 2.98Å
177	E	94	Very high	94.4	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.243	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.6	-22.1	175.8	70.5	-84.9	-157.5	0	0	113.8	Y175 S179 K180	Y175-E177 WeakPolarHBondContact CA-OE2 3.43Å; Y175-E177 VanDerWaalsContact CD1-OE1 3.29Å; Y175-E177 WeakPolarHBondContact CD1-OE1 3.05Å; Y175-E177 PolarHBondContact O-N 3.12Å; E177-S179 PolarHBondContact O-N 2.98Å; E177-K180 HydrophobicContact CB-CD 4.28Å; E177-K180 VanDerWaalsContact O-CB 3.22Å; E177-K180 WeakPolarHBondContact O-CB 3.34Å; E177-K180 WeakPolarHBondContact O-CG 3.49Å; E177-K180 PolarHBondContact O-N 2.79Å
178	L	93.7	Very high	94.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.1	-32.1	176.4	-64.4	176.4	0	0	0	111.5	Y153 I155 Y175 P176 K180 Y181 L186 Q372 F373	Y153-L178 HydrophobicContact CD1-CB 4.07Å; Y153-L178 HydrophobicContact CE1-CB 4.36Å; I155-L178 HydrophobicContact CD1-CB 4.12Å; I155-L178 HydrophobicContact CG1-CB 4.19Å; Y175-L178 WeakPolarHBondContact O-CB 2.86Å; Y175-L178 WeakPolarHBondContact O-CG 3.37Å; Y175-L178 PolarHBondContact O-N 2.96Å; P176-L178 PolarHBondContact O-N 3.01Å; L178-K180 PolarHBondContact O-N 2.95Å; L178-Y181 PolarHBondContact O-N 2.79Å; L178-Y181 VanDerWaalsContact O-N 3.14Å; L178-L186 HydrophobicContact CD2-CD2 3.89Å; L178-Q372 HydrophobicContact CD1-CB 4.23Å; L178-F373 HydrophobicContact CD1-CD1 3.98Å; L178-F373 HydrophobicContact CD1-CE1 3.66Å; L178-F373 HydrophobicContact CD1-CZ 4.13Å
179	S	93.9	Very high	93.9	Very high	49 Å²	49	40.6 Å²	40.6	34%	0.343	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-68.4	-8.4	175.6	-59	0	0	0	0	114.1	Y153 I155 P176 E177 Y181	Y153-S179 WeakPolarHBondContact O-CA 3.47Å; I155-S179 WeakPolarHBondContact CD1-OG 3.45Å; I155-S179 VanDerWaalsContact CG1-OG 3.31Å; I155-S179 WeakPolarHBondContact CG1-OG 3.32Å; P176-S179 PolarHBondContact O-N 2.98Å; E177-S179 PolarHBondContact O-N 2.98Å; S179-Y181 VanDerWaalsContact C-N 3.34Å
180	K	94.4	Very high	93.7	Very high	157 Å²	157	39.6 Å²	39.6	68%	0.683	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-83.4	-15.6	174.5	-58.9	175.9	-178.3	172.1	0	112.3	E177 L178	E177-K180 HydrophobicContact CB-CD 4.28Å; E177-K180 VanDerWaalsContact O-CB 3.22Å; E177-K180 WeakPolarHBondContact O-CB 3.34Å; E177-K180 WeakPolarHBondContact O-CG 3.49Å; E177-K180 PolarHBondContact O-N 2.79Å; L178-K180 PolarHBondContact O-N 2.95Å
181	Y	93.8	Very high	93	Very high	41 Å²	41	39.4 Å²	39.4	16%	0.161	20%	0.197	C	C	.	.	S	Bend	trans	-100.8	146.1	-177.4	-55.4	-49.5	0	0	0	110.7	Y153 L178 S179 E185 L186 I244	Y153-Y181 WeakPolarHBondContact CB-O 3.47Å; Y153-Y181 PolarHBondContact N-O 3.27Å; L178-Y181 PolarHBondContact O-N 2.79Å; L178-Y181 VanDerWaalsContact O-N 3.14Å; S179-Y181 VanDerWaalsContact C-N 3.34Å; Y181-E185 WeakPolarHBondContact CA-OE2 3.16Å; Y181-L186 HydrophobicContact CD2-CD2 3.6Å; Y181-L186 HydrophobicContact CD2-CG 4.49Å; Y181-L186 HydrophobicContact CG-CD2 4.13Å; Y181-I244 HydrophobicContact CD1-CG2 3.37Å; Y181-I244 HydrophobicContact CE1-CG2 3.39Å; Y181-I244 HydrophobicContact CG-CG2 4.3Å
182	T	93.2	Very high	92	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.153	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-73.3	162.5	163.2	62	0	0	0	0	110.8	R150 T151 L152 D184 E185 L186	R150-T182 VanDerWaalsContact O-CG2 3.31Å; R150-T182 WeakPolarHBondContact O-CG2 2.89Å; T151-T182 VanDerWaalsContact O-CA 3.26Å; T151-T182 WeakPolarHBondContact O-CA 3.19Å; L152-T182 HydrophobicContact CD2-CG2 4.19Å; T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 PolarHBondContact O-N 3.49Å; T182-E185 PolarHBondContact N-OE2 3.06Å; T182-E185 PolarHBondContact O-N 3.08Å; T182-E185 WeakPolarHBondContact OG1-CB 3.22Å; T182-E185 VanDerWaalsContact OG1-CD 3.28Å; T182-E185 WeakPolarHBondContact OG1-CG 3.39Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.45Å; T182-L186 PolarHBondContact O-N 3.39Å
183	I	89.3	Confident	90.4	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-40	176.3	-68.4	161.1	0	0	0	111	F148 G149 T151 Y153 L186 R187 P393	F148-I183 HydrophobicContact CD1-CD1 3.6Å; F148-I183 HydrophobicContact CE1-CD1 3.26Å; F148-I183 HydrophobicContact CZ-CD1 4.17Å; G149-I183 PolarHBondContact O-N 3.33Å; T151-I183 PolarHBondContact O-N 3.44Å; Y153-I183 HydrophobicContact CD2-CG1 4.25Å; I183-L186 PolarHBondContact O-N 2.68Å; I183-R187 HydrophobicContact CG2-CG 4.45Å; I183-R187 WeakPolarHBondContact O-CB 3.07Å; I183-R187 WeakPolarHBondContact O-CD 3.36Å; I183-R187 VanDerWaalsContact O-CG 3.23Å; I183-R187 WeakPolarHBondContact O-CG 3.49Å; I183-R187 PolarHBondContact O-N 2.77Å; I183-P393 HydrophobicContact CD1-CB 4.13Å; I183-P393 HydrophobicContact CD1-CG 4.21Å; I183-P393 HydrophobicContact CG2-CB 4.43Å
184	D	88.1	Confident	88.6	Confident	63 Å²	63	37.9 Å²	37.9	34%	0.337	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-39.1	175.7	-76.3	-22.9	0	0	0	111.8	G149 T182 R187 N188	G149-D184 VanDerWaalsContact C-CG 3.41Å; G149-D184 WeakPolarHBondContact CA-OD1 3.29Å; G149-D184 WeakPolarHBondContact CA-OD2 3.33Å; G149-D184 PolarHBondContact O-N 2.89Å; T182-D184 VanDerWaalsContact C-N 3.27Å; T182-D184 PolarHBondContact O-N 3.49Å; D184-R187 PolarHBondContact O-N 2.62Å; D184-R187 IonicContact OD1-NH1 3.7Å; D184-R187 PolarHBondContact OD1-NH1 3.11Å; D184-N188 VanDerWaalsContact O-CB 3.28Å; D184-N188 WeakPolarHBondContact O-CB 3.07Å; D184-N188 PolarHBondContact O-N 3.11Å
185	E	91.9	Very high	86.6	Confident	59 Å²	59	35 Å²	35	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-38.3	175.1	-75.4	166.2	149.8	0	0	112.3	Y181 T182 N188 R189 I244	Y181-E185 WeakPolarHBondContact CA-OE2 3.16Å; T182-E185 PolarHBondContact N-OE2 3.06Å; T182-E185 PolarHBondContact O-N 3.08Å; T182-E185 WeakPolarHBondContact OG1-CB 3.22Å; T182-E185 VanDerWaalsContact OG1-CD 3.28Å; T182-E185 WeakPolarHBondContact OG1-CG 3.39Å; T182-E185 PolarHBondContact OG1-N 2.91Å; T182-E185 PolarHBondContact OG1-OE2 3.45Å; E185-N188 PolarHBondContact O-N 3.02Å; E185-R189 VanDerWaalsContact O-CB 3.27Å; E185-R189 WeakPolarHBondContact O-CB 3.47Å; E185-R189 PolarHBondContact O-N 2.92Å; E185-I244 HydrophobicContact CB-CB 4.15Å; E185-I244 HydrophobicContact CB-CG2 3.95Å; E185-I244 HydrophobicContact CG-CB 4.18Å; E185-I244 HydrophobicContact CG-CD1 4.1Å; E185-I244 HydrophobicContact CG-CG2 4.17Å
186	L	91.3	Very high	84.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-43.1	174.5	-74.1	-179.8	0	0	0	112.2	Y153 L178 Y181 T182 I183 N188 R189 A190 F394	Y153-L186 VanDerWaalsContact CB-CD1 3.5Å; Y153-L186 HydrophobicContact CD1-CD1 3.65Å; Y153-L186 HydrophobicContact CD2-CD1 3.73Å; Y153-L186 HydrophobicContact CE1-CD1 4.25Å; Y153-L186 HydrophobicContact CE2-CD1 4.34Å; Y153-L186 HydrophobicContact CG-CD1 3.33Å; L178-L186 HydrophobicContact CD2-CD2 3.89Å; Y181-L186 HydrophobicContact CD2-CD2 3.6Å; Y181-L186 HydrophobicContact CD2-CG 4.49Å; Y181-L186 HydrophobicContact CG-CD2 4.13Å; T182-L186 PolarHBondContact O-N 3.39Å; I183-L186 PolarHBondContact O-N 2.68Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 2.96Å; L186-R189 PolarHBondContact O-N 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 2.81Å; L186-F394 HydrophobicContact CB-CE2 4.24Å
187	R	88.3	Confident	82.3	Confident	22 Å²	22	34.8 Å²	34.8	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-41	173.9	-70.1	161.8	174	-161.2	-11.3	111	I183 D184 A190 G191 G192 V193 P393 E395	I183-R187 HydrophobicContact CG2-CG 4.45Å; I183-R187 WeakPolarHBondContact O-CB 3.07Å; I183-R187 WeakPolarHBondContact O-CD 3.36Å; I183-R187 VanDerWaalsContact O-CG 3.23Å; I183-R187 WeakPolarHBondContact O-CG 3.49Å; I183-R187 PolarHBondContact O-N 2.77Å; D184-R187 PolarHBondContact O-N 2.62Å; D184-R187 IonicContact OD1-NH1 3.7Å; D184-R187 PolarHBondContact OD1-NH1 3.11Å; R187-A190 CarbonylContact O-C 3.59Å; R187-A190 PolarHBondContact O-N 2.79Å; R187-G191 PolarHBondContact O-N 3.42Å; R187-G192 PolarHBondContact O-N 3.42Å; R187-V193 HydrophobicContact CB-CG1 3.88Å; R187-V193 HydrophobicContact CG-CG1 4.14Å; R187-P393 PolarHBondContact NE-O 2.99Å; R187-P393 PolarHBondContact NH2-O 2.71Å; R187-E395 IonicContact CZ-OE1 3.26Å; R187-E395 IonicContact NH1-OE1 2.69Å; R187-E395 PolarHBondContact NH1-OE1 3.05Å; R187-E395 IonicContact NH1-OE2 3.2Å; R187-E395 VanDerWaalsContact NH2-CD 3.26Å; R187-E395 IonicContact NH2-OE1 3.22Å; R187-E395 PolarHBondContact NH2-OE1 3.24Å
188	N	89	Confident	80.1	Confident	37 Å²	37	37.9 Å²	37.9	20%	0.198	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-44.6	177.7	-159.5	44.8	0	0	0	111.8	D184 E185 L186 A190 G191 I244 G246 C288	D184-N188 VanDerWaalsContact O-CB 3.28Å; D184-N188 WeakPolarHBondContact O-CB 3.07Å; D184-N188 PolarHBondContact O-N 3.11Å; E185-N188 PolarHBondContact O-N 3.02Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 2.96Å; N188-A190 PolarHBondContact O-N 2.87Å; N188-G191 PolarHBondContact O-N 3.39Å; N188-I244 PolarHBondContact ND2-O 2.93Å; N188-G246 PolarHBondContact ND2-N 2.9Å; N188-G246 WeakPolarHBondContact O-CA 3.31Å; N188-C288 PolarHBondContact ND2-O 3.3Å; N188-C288 PolarHBondContact OD1-O 2.97Å
189	R	92.2	Very high	78.2	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-32.4	172.3	175.5	173.4	175	-123.9	9.9	112.7	E185 L186 G191 Q242 G243 Q372 W423	E185-R189 VanDerWaalsContact O-CB 3.27Å; E185-R189 WeakPolarHBondContact O-CB 3.47Å; E185-R189 PolarHBondContact O-N 2.92Å; L186-R189 PolarHBondContact O-N 3.29Å; R189-G191 VanDerWaalsContact C-N 3.28Å; R189-Q242 PolarHBondContact O-NE2 3.1Å; R189-Q242 VanDerWaalsContact O-NE2 3.1Å; R189-G243 WeakPolarHBondContact CD-O 3.4Å; R189-G243 VanDerWaalsContact CG-O 3.3Å; R189-G243 WeakPolarHBondContact CG-O 3.36Å; R189-Q372 VanDerWaalsContact NH1-OE1 3.08Å; R189-W423 HydrophobicContact CG-CZ2 4.35Å; R189-W423 PolarHBondContact O-NE1 2.85Å
190	A	90.7	Very high	75.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4.8	175.9	0	0	0	0	0	114.2	L186 R187 N188 V367 F394 T397 N398 H399	L186-A190 WeakPolarHBondContact O-CB 3.38Å; L186-A190 PolarHBondContact O-N 2.81Å; R187-A190 CarbonylContact O-C 3.59Å; R187-A190 PolarHBondContact O-N 2.79Å; N188-A190 PolarHBondContact O-N 2.87Å; A190-V367 HydrophobicContact CB-CB 4.02Å; A190-V367 HydrophobicContact CB-CG1 3.77Å; A190-V367 HydrophobicContact CB-CG2 4.44Å; A190-F394 HydrophobicContact CB-CZ 3.91Å; A190-T397 VanDerWaalsContact C-OG1 3.31Å; A190-T397 WeakPolarHBondContact CB-OG1 3.41Å; A190-T397 WeakPolarHBondContact O-CB 3.33Å; A190-T397 PolarHBondContact O-OG1 3.22Å; A190-N398 CarbonylContact O-C 3.55Å; A190-H399 WeakPolarHBondContact O-CB 3.23Å
191	G	84.9	Confident	73.3	Confident	6 Å²	6	39 Å²	39	6%	0.062	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.5	-5.6	170.8	0	0	0	0	0	116.1	R187 N188 R189 N398	R187-G191 PolarHBondContact O-N 3.42Å; N188-G191 PolarHBondContact O-N 3.39Å; R189-G191 VanDerWaalsContact C-N 3.28Å; G191-N398 WeakPolarHBondContact CA-O 3.2Å
192	G	76.3	Confident	71.1	Confident	7 Å²	7	39.7 Å²	39.7	7%	0.072	23%	0.226	C	C	.	.			trans	99.4	160.6	174.4	0	0	0	0	0	114.7	R187 T397	R187-G192 PolarHBondContact O-N 3.42Å; G192-T397 VanDerWaalsContact O-CB 3.27Å; G192-T397 WeakPolarHBondContact O-CB 3.41Å; G192-T397 WeakPolarHBondContact O-CG2 3.31Å
193	V	64.7	Low	69	Low	39 Å²	39	41.3 Å²	41.3	24%	0.236	23%	0.234	C	C	.	.	S	Bend	trans	-99.6	-0.5	-171.4	-63.7	0	0	0	0	114.7	R187 S195 E395 T397	R187-V193 HydrophobicContact CB-CG1 3.88Å; R187-V193 HydrophobicContact CG-CG1 4.14Å; V193-S195 PolarHBondContact O-N 3.24Å; V193-E395 HydrophobicContact CG1-CB 4.23Å; V193-E395 WeakPolarHBondContact CG1-OE2 3.16Å; V193-T397 HydrophobicContact CG1-CG2 4.31Å
194	K	60	Low	67.1	Low	63 Å²	63	43.9 Å²	43.9	27%	0.274	25%	0.247	S	C	.	.	S	Bend	trans	-76.5	-27.7	-166.8	-68.2	-179.5	-178.8	178.5	0	112.6	D21 E286	D21-K194 HydrophobicContact CB-CB 4.39Å; D21-K194 WeakPolarHBondContact O-CB 3.45Å; D21-K194 WeakPolarHBondContact O-CD 3.12Å; K194-E286 IonicContact NZ-OE2 2.8Å; K194-E286 PolarHBondContact NZ-OE2 2.94Å
195	S	55.9	Low	65.5	Low	6 Å²	6	49.6 Å²	49.6	4%	0.042	26%	0.264	C	S	.	.			trans	-94	106.4	171	-166.2	0	0	0	0	113	D21 Y80 N81 V193	D21-S195 VanDerWaalsContact OD1-CB 3.28Å; D21-S195 WeakPolarHBondContact OD1-CB 3.5Å; D21-S195 PolarHBondContact OD1-N 3.04Å; Y80-S195 WeakPolarHBondContact CE1-OG 3.45Å; N81-S195 VanDerWaalsContact CG-OG 3.28Å; N81-S195 PolarHBondContact ND2-OG 3.24Å; N81-S195 PolarHBondContact OD1-OG 3.38Å; V193-S195 PolarHBondContact O-N 3.24Å
196	M	53.2	Low	64	Low	74 Å²	74	52.6 Å²	52.6	37%	0.365	28%	0.276	S	S	.	.			trans	-101.8	13	-179.2	-69	-168	-73	0	0	114	N140 L142 T198	N140-M196 WeakPolarHBondContact OD1-CE 3.49Å; L142-M196 HydrophobicContact CD2-CE 4.43Å; M196-T198 PolarHBondContact O-N 2.96Å
197	V	49.3	Very low	63	Low	21 Å²	21	58.2 Å²	58.2	13%	0.127	31%	0.311	C	S	.	.			trans	-73.1	105.3	-176.1	-160.2	0	0	0	0	108.8	N25 Y80 N81 R199 P200	N25-V197 HydrophobicContact CB-CG2 4.36Å; N25-V197 VanDerWaalsContact CG-CG2 3.44Å; N25-V197 WeakPolarHBondContact OD1-CG2 3.28Å; Y80-V197 PolarHBondContact OH-O 2.92Å; N81-V197 HydrophobicContact CB-CG2 3.61Å; N81-V197 WeakPolarHBondContact ND2-CG2 3.22Å; V197-R199 PolarHBondContact O-N 2.94Å; V197-P200 HydrophobicContact CG1-CG 4.5Å
198	T	48.8	Very low	62.5	Low	118 Å²	118	59.2 Å²	59.2	72%	0.724	32%	0.32	S	S	*	.			trans	-54.2	108.5	153.6	34	0	0	0	0	106.4	M196	M196-T198 PolarHBondContact O-N 2.96Å
199	R	54.1	Low	62.3	Low	43 Å²	43	60.6 Å²	60.6	16%	0.162	33%	0.333	C	S	.	.			trans	-43.2	120.7	-175.3	-67.2	177.4	-179.7	-154.9	1.8	109	V197 S201 E366 G443 S446	V197-R199 PolarHBondContact O-N 2.94Å; R199-S201 PolarHBondContact O-N 2.81Å; R199-E366 IonicContact NE-OE1 2.77Å; R199-E366 PolarHBondContact NE-OE1 2.94Å; R199-G443 VanDerWaalsContact CZ-O 3.3Å; R199-G443 VanDerWaalsContact NH1-C 3.29Å; R199-G443 PolarHBondContact NH1-O 3.01Å; R199-G443 PolarHBondContact NH2-O 3.45Å; R199-S446 PolarHBondContact NH1-OG 3.26Å
200	P	43.6	Very low	62.1	Low	80 Å²	80	69.5 Å²	69.5	52%	0.519	37%	0.371	S	S	.	.			trans	-57.1	115.6	167.2	-16	28.8	0	0	0	104.9	V197 V202	V197-P200 HydrophobicContact CG1-CG 4.5Å; P200-V202 PolarHBondContact O-N 3.47Å
201	S	40.7	Very low	62	Low	108 Å²	108	77.1 Å²	77.1	76%	0.755	41%	0.407	S	S	*	.	S	Bend	trans	-38.3	107.7	-171.8	60.4	0	0	0	0	109.8	R199 L203	R199-S201 PolarHBondContact O-N 2.81Å; S201-L203 PolarHBondContact O-N 2.77Å
202	V	48.1	Very low	62.1	Low	54 Å²	54	77.8 Å²	77.8	33%	0.327	41%	0.409	S	S	.	.			trans	29.8	92.8	161.2	-152.9	0	0	0	0	113	P200 N204 R205	P200-V202 PolarHBondContact O-N 3.47Å; V202-N204 PolarHBondContact O-N 2.84Å; V202-R205 HydrophobicContact CB-CG 3.9Å; V202-R205 HydrophobicContact CG1-CB 4.32Å; V202-R205 HydrophobicContact CG1-CG 3.58Å; V202-R205 VanDerWaalsContact CG1-N 3.33Å; V202-R205 HydrophobicContact CG2-CG 3.97Å
203	L	48.5	Very low	62.6	Low	60 Å²	60	81.5 Å²	81.5	31%	0.314	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	88.9	156.8	-98	159.8	0	0	0	106.4	Y28 Y62 S201 G344	Y28-L203 HydrophobicContact CD2-CD1 4.34Å; Y28-L203 HydrophobicContact CG-CD1 4.13Å; Y62-L203 HydrophobicContact CE2-CD2 4.19Å; S201-L203 PolarHBondContact O-N 2.77Å; L203-G344 VanDerWaalsContact O-O 3.06Å
204	N	48.6	Very low	63.8	Low	56 Å²	56	84.1 Å²	84.1	30%	0.299	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	89.6	-178.3	-58.8	-48.3	0	0	0	117.3	Y62 V202 K206	Y62-N204 PolarHBondContact OH-ND2 3.16Å; V202-N204 PolarHBondContact O-N 2.84Å; N204-K206 HydrophobicContact CB-CB 3.89Å; N204-K206 HydrophobicContact CB-CD 3.65Å; N204-K206 HydrophobicContact CB-CG 3.58Å; N204-K206 VanDerWaalsContact CG-CD 3.47Å; N204-K206 WeakPolarHBondContact ND2-CE 3.34Å; N204-K206 PolarHBondContact ND2-NZ 2.83Å; N204-K206 VanDerWaalsContact ND2-NZ 3.11Å; N204-K206 PolarHBondContact O-N 2.93Å; N204-K206 WeakPolarHBondContact OD1-CE 3.45Å
205	R	54.8	Low	65.1	Low	184 Å²	184	86.5 Å²	86.5	69%	0.694	46%	0.462	S	S	*	.			trans	-66	52	138	-71.2	-168.5	179	158.3	-3.2	109.4	V202 T207 T439	V202-R205 HydrophobicContact CB-CG 3.9Å; V202-R205 HydrophobicContact CG1-CB 4.32Å; V202-R205 HydrophobicContact CG1-CG 3.58Å; V202-R205 VanDerWaalsContact CG1-N 3.33Å; V202-R205 HydrophobicContact CG2-CG 3.97Å; R205-T207 PolarHBondContact O-N 3.49Å; R205-T439 PolarHBondContact NH2-O 3.49Å
206	K	60.5	Low	66.7	Low	121 Å²	121	86.7 Å²	86.7	53%	0.526	46%	0.462	S	S	.	.			trans	-64.2	124	175.2	-93.7	168.8	-176.7	164.2	0	105.6	N204	N204-K206 HydrophobicContact CB-CB 3.89Å; N204-K206 HydrophobicContact CB-CD 3.65Å; N204-K206 HydrophobicContact CB-CG 3.58Å; N204-K206 VanDerWaalsContact CG-CD 3.47Å; N204-K206 WeakPolarHBondContact ND2-CE 3.34Å; N204-K206 PolarHBondContact ND2-NZ 2.83Å; N204-K206 VanDerWaalsContact ND2-NZ 3.11Å; N204-K206 PolarHBondContact O-N 2.93Å; N204-K206 WeakPolarHBondContact OD1-CE 3.45Å
207	T	70.7	Confident	68.3	Low	120 Å²	120	85.9 Å²	85.9	74%	0.736	47%	0.473	S	S	*	.			trans	-46.6	130	165.1	-50.5	0	0	0	0	107.7	R205 S209	R205-T207 PolarHBondContact O-N 3.49Å; T207-S209 PolarHBondContact O-N 3.38Å
208	P	78.2	Confident	70.2	Confident	42 Å²	42	92.3 Å²	92.3	27%	0.273	51%	0.507	S	S	.	.			trans	-45.9	139.3	177.2	-32.2	37.4	0	0	0	111.1	L212 I213 K349	P208-L212 HydrophobicContact CB-CB 4.44Å; P208-L212 HydrophobicContact CB-CD2 4Å; P208-L212 HydrophobicContact CB-CG 4.29Å; P208-I213 HydrophobicContact CB-CD1 4.37Å; P208-I213 HydrophobicContact CB-CG1 3.81Å; P208-I213 WeakPolarHBondContact O-CD1 3.34Å; P208-K349 HydrophobicContact CB-CG 4.4Å; P208-K349 HydrophobicContact CG-CG 3.96Å
209	S	84.3	Confident	72.4	Confident	66 Å²	66	88.6 Å²	88.6	46%	0.462	48%	0.482	S	S	.	.			trans	-59.7	154.2	177.5	70.6	0	0	0	0	110.1	T207 E211 L212 I213	T207-S209 PolarHBondContact O-N 3.38Å; S209-E211 PolarHBondContact O-N 3.2Å; S209-E211 VanDerWaalsContact O-N 3.15Å; S209-L212 PolarHBondContact O-N 3.4Å; S209-L212 WeakPolarHBondContact OG-CB 3.44Å; S209-L212 PolarHBondContact OG-N 3.36Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.84Å
210	K	87.7	Confident	74.3	Confident	191 Å²	191	89.3 Å²	89.3	83%	0.83	49%	0.493	S	S	*	.	H	α-helix	trans	-54.9	-35.3	175.8	-70.2	-175.1	178.1	-178.7	0	112.1	S214	K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.44Å
211	E	88.3	Confident	76.7	Confident	161 Å²	161	91 Å²	91	75%	0.752	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-47.8	175.1	-175	175.5	-167.7	0	0	111.7	S209 I213 S214 L215	S209-E211 PolarHBondContact O-N 3.2Å; S209-E211 VanDerWaalsContact O-N 3.15Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 3.15Å; E211-S214 WeakPolarHBondContact O-CB 3.15Å; E211-S214 PolarHBondContact O-N 2.86Å; E211-L215 WeakPolarHBondContact O-CB 3.39Å; E211-L215 PolarHBondContact O-N 2.73Å
212	L	87.6	Confident	79.3	Confident	19 Å²	19	90.4 Å²	90.4	10%	0.099	48%	0.482	C	S	.	.	H	α-helix	trans	-63.6	-39.4	176.6	-178.2	59	0	0	0	111.8	P208 S209 L215 T216 K349 L350 L353	P208-L212 HydrophobicContact CB-CB 4.44Å; P208-L212 HydrophobicContact CB-CD2 4Å; P208-L212 HydrophobicContact CB-CG 4.29Å; S209-L212 PolarHBondContact O-N 3.4Å; S209-L212 WeakPolarHBondContact OG-CB 3.44Å; S209-L212 PolarHBondContact OG-N 3.36Å; L212-L215 PolarHBondContact O-N 3.45Å; L212-T216 HydrophobicContact CD1-CG2 3.95Å; L212-T216 WeakPolarHBondContact O-CB 3.17Å; L212-T216 WeakPolarHBondContact O-CG2 3.48Å; L212-T216 PolarHBondContact O-N 2.93Å; L212-T216 PolarHBondContact O-OG1 3.22Å; L212-K349 HydrophobicContact CD1-CB 4.4Å; L212-K349 HydrophobicContact CD2-CB 4.04Å; L212-K349 HydrophobicContact CG-CB 4.07Å; L212-L350 HydrophobicContact CD1-CD2 3.69Å; L212-L350 HydrophobicContact CD1-CG 4.42Å; L212-L350 HydrophobicContact CD2-CD2 3.9Å; L212-L350 HydrophobicContact CD2-CG 3.91Å; L212-L350 HydrophobicContact CG-CD2 4.49Å; L212-L353 HydrophobicContact CD1-CD1 3.52Å
213	I	87.3	Confident	81.7	Confident	86 Å²	86	88.9 Å²	88.9	44%	0.441	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-46.4	173.9	-66	170.8	0	0	0	110.2	P208 S209 E211 L215 T216 G217	P208-I213 HydrophobicContact CB-CD1 4.37Å; P208-I213 HydrophobicContact CB-CG1 3.81Å; P208-I213 WeakPolarHBondContact O-CD1 3.34Å; S209-I213 WeakPolarHBondContact O-CG1 3.41Å; S209-I213 PolarHBondContact O-N 2.84Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 3.15Å; I213-L215 PolarHBondContact O-N 2.92Å; I213-T216 PolarHBondContact O-N 3.05Å; I213-T216 PolarHBondContact O-OG1 3.03Å; I213-G217 PolarHBondContact O-N 3.15Å
214	S	89.6	Confident	84.1	Confident	93 Å²	93	87.6 Å²	87.6	65%	0.65	46%	0.464	S	S	*	.	H	α-helix	trans	-62.7	-42.6	178	-171.6	0	0	0	0	111.9	K210 E211 T216 G217	K210-S214 WeakPolarHBondContact O-CB 3.4Å; K210-S214 PolarHBondContact O-N 3.44Å; E211-S214 WeakPolarHBondContact O-CB 3.15Å; E211-S214 PolarHBondContact O-N 2.86Å; S214-T216 VanDerWaalsContact C-N 3.33Å; S214-G217 PolarHBondContact O-N 3.41Å
215	L	87.3	Confident	86.5	Confident	114 Å²	114	86.4 Å²	86.4	60%	0.597	46%	0.456	S	S	*	.	H	α-helix	trans	-65.7	-37.6	179.3	-175.4	65	0	0	0	111.7	E211 L212 I213 L353	E211-L215 WeakPolarHBondContact O-CB 3.39Å; E211-L215 PolarHBondContact O-N 2.73Å; L212-L215 PolarHBondContact O-N 3.45Å; I213-L215 PolarHBondContact O-N 2.92Å; L215-L353 HydrophobicContact CD2-CD1 3.74Å; L215-L353 HydrophobicContact CD2-CD2 4.39Å; L215-L353 HydrophobicContact CG-CD1 4.24Å; L215-L353 HydrophobicContact CG-CD2 4.22Å
216	T	88.8	Confident	88.5	Confident	9 Å²	9	78.9 Å²	78.9	6%	0.055	43%	0.43	C	S	.	.	H	α-helix	trans	-89.4	-4.8	-179.1	56.9	0	0	0	0	114.7	L212 I213 S214 N218 L219 K349 L353	L212-T216 HydrophobicContact CD1-CG2 3.95Å; L212-T216 WeakPolarHBondContact O-CB 3.17Å; L212-T216 WeakPolarHBondContact O-CG2 3.48Å; L212-T216 PolarHBondContact O-N 2.93Å; L212-T216 PolarHBondContact O-OG1 3.22Å; I213-T216 PolarHBondContact O-N 3.05Å; I213-T216 PolarHBondContact O-OG1 3.03Å; S214-T216 VanDerWaalsContact C-N 3.33Å; T216-N218 PolarHBondContact O-N 3.25Å; T216-N218 VanDerWaalsContact O-N 3.15Å; T216-L219 HydrophobicContact CG2-CD1 3.78Å; T216-L219 WeakPolarHBondContact O-CG 3.43Å; T216-L219 PolarHBondContact O-N 3.14Å; T216-L219 VanDerWaalsContact O-N 3.14Å; T216-K349 HydrophobicContact CG2-CB 4Å; T216-K349 HydrophobicContact CG2-CD 4.38Å; T216-L353 HydrophobicContact CG2-CD1 3.49Å; T216-L353 VanDerWaalsContact CG2-CD1 3.49Å; T216-L353 HydrophobicContact CG2-CD2 3.91Å; T216-L353 HydrophobicContact CG2-CG 3.51Å
217	G	88.3	Confident	90.3	Very high	57 Å²	57	77.3 Å²	77.3	59%	0.588	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.1	-174.5	0	0	0	0	0	114.6	I213 S214	I213-G217 PolarHBondContact O-N 3.15Å; S214-G217 PolarHBondContact O-N 3.41Å
218	N	89.3	Confident	91.5	Very high	157 Å²	157	72.1 Å²	72.1	84%	0.84	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8.1	-179.8	-63.6	-34.9	0	0	0	113.4	T216	T216-N218 PolarHBondContact O-N 3.25Å; T216-N218 VanDerWaalsContact O-N 3.15Å
219	L	93.1	Very high	92.1	Very high	39 Å²	39	74.8 Å²	74.8	20%	0.204	42%	0.42	C	S	.	.	S	Bend	trans	-66.4	143.6	175	-62.3	-177.1	0	0	0	109.9	T216 Q352 L353 I356	T216-L219 HydrophobicContact CG2-CD1 3.78Å; T216-L219 WeakPolarHBondContact O-CG 3.43Å; T216-L219 PolarHBondContact O-N 3.14Å; T216-L219 VanDerWaalsContact O-N 3.14Å; L219-Q352 HydrophobicContact CD1-CB 3.68Å; L219-L353 HydrophobicContact CD1-CD2 3.99Å; L219-L353 HydrophobicContact CD1-CG 4.14Å; L219-L353 HydrophobicContact CD2-CD2 4.05Å; L219-L353 HydrophobicContact CG-CD2 4.45Å; L219-I356 HydrophobicContact CB-CD1 4.32Å; L219-I356 HydrophobicContact CD2-CD1 3.82Å; L219-I356 HydrophobicContact CG-CD1 4.43Å
220	P	95.2	Very high	92.5	Very high	59 Å²	59	77.5 Å²	77.5	38%	0.383	43%	0.429	S	S	.	.			trans	-60.6	153.2	176.8	29.2	-36.9	0	0	0	110.6	E222 F223 I356 Y406	P220-E222 WeakPolarHBondContact CB-O 3.29Å; P220-E222 PolarHBondContact O-N 3.13Å; P220-F223 HydrophobicContact CG-CB 4.19Å; P220-F223 HydrophobicContact CG-CD2 4.2Å; P220-I356 HydrophobicContact CG-CD1 3.85Å; P220-Y406 WeakPolarHBondContact O-CE2 3.32Å; P220-Y406 PolarHBondContact O-OH 3.46Å; P220-Y406 VanDerWaalsContact O-OH 3.11Å
221	L	93.4	Very high	92.8	Very high	115 Å²	115	71.8 Å²	71.8	60%	0.602	43%	0.425	S	S	*	.	S	Bend	trans	-66.7	-30	177.5	-175	63.7	0	0	0	112.1	V408	L221-V408 HydrophobicContact CD1-CG2 3.78Å; L221-V408 HydrophobicContact CD2-CG2 4.37Å; L221-V408 HydrophobicContact CG-CG2 3.95Å
222	E	96.6	Very high	93.1	Very high	96 Å²	96	66.3 Å²	66.3	45%	0.449	41%	0.405	S	S	.	.			trans	-137.3	143	179.3	65.2	-164.9	-174	0	0	110.3	P220 Y406 K410	P220-E222 WeakPolarHBondContact CB-O 3.29Å; P220-E222 PolarHBondContact O-N 3.13Å; E222-Y406 WeakPolarHBondContact CA-O 3.45Å; E222-K410 IonicContact OE1-NZ 3.41Å; E222-K410 WeakPolarHBondContact OE2-CE 3.45Å; E222-K410 IonicContact OE2-NZ 3.54Å; E222-K410 PolarHBondContact OE2-NZ 2.98Å
223	F	98	Very high	93.6	Very high	22 Å²	22	71.8 Å²	71.8	10%	0.096	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	131.9	179.5	-173.3	-85.8	0	0	0	109.1	P220 W225 P229 L355 I356 G405 Y406	P220-F223 HydrophobicContact CG-CB 4.19Å; P220-F223 HydrophobicContact CG-CD2 4.2Å; F223-W225 AromaticContact CE1-CD1 3.67Å; F223-W225 AromaticContact CE1-CD2 3.78Å; F223-W225 HydrophobicContact CE1-CD2 3.78Å; F223-W225 AromaticContact CE1-CE2 3.44Å; F223-W225 VanDerWaalsContact CE1-CE2 3.44Å; F223-W225 HydrophobicContact CE1-CE3 4.5Å; F223-W225 AromaticContact CE1-CG 3.94Å; F223-W225 HydrophobicContact CE1-CG 3.94Å; F223-W225 AromaticContact CE1-CZ2 3.93Å; F223-W225 HydrophobicContact CE1-CZ2 3.93Å; F223-W225 AromaticContact CE1-NE1 3.37Å; F223-W225 HydrophobicContact CZ-CD2 4.02Å; F223-W225 AromaticContact CZ-CE2 3.62Å; F223-W225 HydrophobicContact CZ-CE3 4.35Å; F223-W225 AromaticContact CZ-CH2 4Å; F223-W225 HydrophobicContact CZ-CH2 4Å; F223-W225 AromaticContact CZ-CZ2 3.63Å; F223-W225 HydrophobicContact CZ-CZ2 3.63Å; F223-W225 HydrophobicContact CZ-CZ3 4.34Å; F223-P229 HydrophobicContact CD2-CG 4.02Å; F223-P229 HydrophobicContact CE2-CG 3.92Å; F223-L355 HydrophobicContact CD1-CD2 4.11Å; F223-L355 HydrophobicContact CD1-CG 4.32Å; F223-I356 HydrophobicContact CB-CD1 4.46Å; F223-I356 HydrophobicContact CB-CG1 4.41Å; F223-I356 HydrophobicContact CD1-CG1 4.02Å; F223-I356 HydrophobicContact CD2-CD1 4.27Å; F223-I356 HydrophobicContact CD2-CG1 3.85Å; F223-I356 HydrophobicContact CE1-CG1 4.28Å; F223-I356 HydrophobicContact CE2-CG1 4.1Å; F223-I356 HydrophobicContact CG-CD1 4.28Å; F223-I356 HydrophobicContact CG-CG1 3.8Å; F223-I356 HydrophobicContact CZ-CG1 4.32Å; F223-G405 CarbonylContact O-C 3.6Å; F223-G405 WeakPolarHBondContact O-CA 3.22Å; F223-Y406 HydrophobicContact CB-CD1 4.25Å; F223-Y406 HydrophobicContact CB-CE1 3.72Å; F223-Y406 HydrophobicContact CB-CE2 4.37Å; F223-Y406 PolarHBondContact N-O 2.84Å; F223-Y406 PolarHBondContact O-N 3.37Å; F223-Y406 VanDerWaalsContact O-O 3.12Å
224	D	98.4	Very high	94.1	Very high	33 Å²	33	69.2 Å²	69.2	18%	0.176	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	113.1	-175.3	-172.4	-12	0	0	0	111.6	T226 S227 P228 K418	D224-T226 PolarHBondContact O-N 3.35Å; D224-T226 WeakPolarHBondContact OD1-CA 3.49Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.48Å; D224-T226 PolarHBondContact OD1-N 3.41Å; D224-T226 PolarHBondContact OD1-OG1 2.98Å; D224-T226 PolarHBondContact OD2-OG1 2.93Å; D224-S227 CarbonylContact O-C 3.56Å; D224-S227 PolarHBondContact O-N 3.46Å; D224-S227 VanDerWaalsContact O-N 3.09Å; D224-S227 VanDerWaalsContact O-O 3.04Å; D224-P228 WeakPolarHBondContact O-CA 3.49Å; D224-K418 IonicContact OD1-NZ 3.26Å; D224-K418 WeakPolarHBondContact OD2-CD 3.43Å; D224-K418 WeakPolarHBondContact OD2-CE 2.97Å; D224-K418 IonicContact OD2-NZ 3.87Å; D224-K418 PolarHBondContact OD2-NZ 3.35Å
225	W	98.6	Very high	94.5	Very high	30 Å²	30	64.8 Å²	64.8	11%	0.114	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18	177	-78.9	118	0	0	0	113.7	F223 S227 P228 S234 P235 V236 L263 L355 P360 V404	F223-W225 AromaticContact CE1-CD1 3.67Å; F223-W225 AromaticContact CE1-CD2 3.78Å; F223-W225 HydrophobicContact CE1-CD2 3.78Å; F223-W225 AromaticContact CE1-CE2 3.44Å; F223-W225 VanDerWaalsContact CE1-CE2 3.44Å; F223-W225 HydrophobicContact CE1-CE3 4.5Å; F223-W225 AromaticContact CE1-CG 3.94Å; F223-W225 HydrophobicContact CE1-CG 3.94Å; F223-W225 AromaticContact CE1-CZ2 3.93Å; F223-W225 HydrophobicContact CE1-CZ2 3.93Å; F223-W225 AromaticContact CE1-NE1 3.37Å; F223-W225 HydrophobicContact CZ-CD2 4.02Å; F223-W225 AromaticContact CZ-CE2 3.62Å; F223-W225 HydrophobicContact CZ-CE3 4.35Å; F223-W225 AromaticContact CZ-CH2 4Å; F223-W225 HydrophobicContact CZ-CH2 4Å; F223-W225 AromaticContact CZ-CZ2 3.63Å; F223-W225 HydrophobicContact CZ-CZ2 3.63Å; F223-W225 HydrophobicContact CZ-CZ3 4.34Å; W225-S227 PolarHBondContact O-N 3.09Å; W225-P228 HydrophobicContact CE3-CG 4.22Å; W225-S234 WeakPolarHBondContact O-CB 3.38Å; W225-S234 PolarHBondContact O-OG 3.23Å; W225-S234 VanDerWaalsContact O-OG 3.05Å; W225-P235 HydrophobicContact CB-CG 4.13Å; W225-P235 HydrophobicContact CD2-CG 4.02Å; W225-P235 HydrophobicContact CE3-CG 3.7Å; W225-P235 HydrophobicContact CG-CG 4.25Å; W225-P235 HydrophobicContact CZ3-CG 4.44Å; W225-P235 WeakPolarHBondContact O-CD 3.15Å; W225-V236 HydrophobicContact CB-CG2 3.73Å; W225-L263 HydrophobicContact CE3-CD2 4.19Å; W225-L263 HydrophobicContact CH2-CD1 4.17Å; W225-L263 HydrophobicContact CH2-CD2 3.77Å; W225-L263 HydrophobicContact CZ2-CD1 4.03Å; W225-L263 HydrophobicContact CZ2-CD2 4.47Å; W225-L263 HydrophobicContact CZ3-CD1 4.48Å; W225-L263 HydrophobicContact CZ3-CD2 3.61Å; W225-L355 PolarHBondContact NE1-O 3.45Å; W225-P360 HydrophobicContact CB-CG 3.95Å; W225-P360 VanDerWaalsContact CD1-CD 3.44Å; W225-P360 HydrophobicContact CG-CG 3.87Å; W225-V404 WeakPolarHBondContact CB-O 3.19Å; W225-V404 PolarHBondContact N-O 3.41Å
226	T	98.2	Very high	95.1	Very high	27 Å²	27	60 Å²	60	17%	0.166	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19	173.2	70.8	0	0	0	0	112.3	D224 V236 V404 K418 Y432	D224-T226 PolarHBondContact O-N 3.35Å; D224-T226 WeakPolarHBondContact OD1-CA 3.49Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.48Å; D224-T226 PolarHBondContact OD1-N 3.41Å; D224-T226 PolarHBondContact OD1-OG1 2.98Å; D224-T226 PolarHBondContact OD2-OG1 2.93Å; T226-V236 HydrophobicContact CG2-CB 4.27Å; T226-V236 HydrophobicContact CG2-CG1 4.29Å; T226-V236 HydrophobicContact CG2-CG2 4.07Å; T226-V404 HydrophobicContact CG2-CB 4.3Å; T226-V404 HydrophobicContact CG2-CG2 3.96Å; T226-K418 PolarHBondContact OG1-NZ 2.9Å; T226-Y432 HydrophobicContact CG2-CE1 3.66Å
227	S	97.2	Very high	95.5	Very high	87 Å²	87	59.7 Å²	59.7	61%	0.608	36%	0.356	S	S	*	.	S	Bend	trans	-147.3	75.9	176.1	-66.5	0	0	0	0	109	D224 W225	D224-S227 CarbonylContact O-C 3.56Å; D224-S227 PolarHBondContact O-N 3.46Å; D224-S227 VanDerWaalsContact O-N 3.09Å; D224-S227 VanDerWaalsContact O-O 3.04Å; W225-S227 PolarHBondContact O-N 3.09Å
228	P	96.4	Very high	95.9	Very high	12 Å²	12	61.5 Å²	61.5	8%	0.078	36%	0.358	C	S	.	.			trans	-53.6	136.7	-173.8	-28.5	36.8	0	0	0	112.7	D224 W225 D230 G231 S232	D224-P228 WeakPolarHBondContact O-CA 3.49Å; W225-P228 HydrophobicContact CE3-CG 4.22Å; P228-D230 WeakPolarHBondContact CB-OD1 3.45Å; P228-D230 PolarHBondContact O-N 3.27Å; P228-G231 PolarHBondContact O-N 3.27Å; P228-S232 WeakPolarHBondContact CB-OG 2.99Å; P228-S232 WeakPolarHBondContact CG-O 3.21Å
229	P	90.9	Very high	96.4	Very high	97 Å²	97	55.2 Å²	55.2	63%	0.63	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.6	-172	25.9	-34.6	0	0	0	114	F223 G231	F223-P229 HydrophobicContact CD2-CG 4.02Å; F223-P229 HydrophobicContact CE2-CG 3.92Å; P229-G231 VanDerWaalsContact C-N 3.28Å
230	D	92.8	Very high	96.6	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2.6	175.4	66.6	-12.9	0	0	0	113.2	P228 S232	P228-D230 WeakPolarHBondContact CB-OD1 3.45Å; P228-D230 PolarHBondContact O-N 3.27Å; D230-S232 PolarHBondContact O-N 3.05Å; D230-S232 WeakPolarHBondContact OD1-CB 3.39Å; D230-S232 PolarHBondContact OD1-N 3.15Å; D230-S232 PolarHBondContact OD1-OG 2.87Å; D230-S232 PolarHBondContact OD2-OG 2.98Å
231	G	94.6	Very high	96.8	Very high	71 Å²	71	57 Å²	57	73%	0.732	33%	0.326	S	S	*	.	S	Bend	trans	74.6	8.7	-176.5	0	0	0	0	0	114	P228 P229	P228-G231 PolarHBondContact O-N 3.27Å; P229-G231 VanDerWaalsContact C-N 3.28Å
232	S	94.7	Very high	96.9	Very high	47 Å²	47	51.6 Å²	51.6	33%	0.329	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-67	166.9	175	66.8	0	0	0	0	112	P228 D230	P228-S232 WeakPolarHBondContact CB-OG 2.99Å; P228-S232 WeakPolarHBondContact CG-O 3.21Å; D230-S232 PolarHBondContact O-N 3.05Å; D230-S232 WeakPolarHBondContact OD1-CB 3.39Å; D230-S232 PolarHBondContact OD1-N 3.15Å; D230-S232 PolarHBondContact OD1-OG 2.87Å; D230-S232 PolarHBondContact OD2-OG 2.98Å
233	R	96.7	Very high	96.9	Very high	133 Å²	133	48 Å²	48	50%	0.502	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-66.6	137.2	179.3	-175	175.6	-179	-161	-4.3	110.2	P235 F267 Q270	R233-P235 WeakPolarHBondContact O-CD 3.48Å; R233-F267 HydrophobicContact CB-CE1 4.05Å; R233-F267 HydrophobicContact CB-CE2 4.21Å; R233-F267 HydrophobicContact CB-CZ 3.87Å; R233-F267 HydrophobicContact CG-CD1 4.28Å; R233-F267 HydrophobicContact CG-CE1 3.8Å; R233-F267 HydrophobicContact CG-CZ 4.12Å; R233-F267 WeakPolarHBondContact O-CZ 3.42Å; R233-Q270 VanDerWaalsContact NH1-CD 3.28Å
234	S	98.2	Very high	96.7	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.4	127.2	172.1	168.2	0	0	0	0	111.4	W225 V236	W225-S234 WeakPolarHBondContact O-CB 3.38Å; W225-S234 PolarHBondContact O-OG 3.23Å; W225-S234 VanDerWaalsContact O-OG 3.05Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact OG-N 2.95Å; S234-V236 VanDerWaalsContact OG-N 3.15Å
235	P	98.3	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.291	C	S	.	.			trans	-75.6	-20.7	169.7	33.2	-38.3	0	0	0	112.3	W225 R233 T237 A259 R262 L263 F267	W225-P235 HydrophobicContact CB-CG 4.13Å; W225-P235 HydrophobicContact CD2-CG 4.02Å; W225-P235 HydrophobicContact CE3-CG 3.7Å; W225-P235 HydrophobicContact CG-CG 4.25Å; W225-P235 HydrophobicContact CZ3-CG 4.44Å; W225-P235 WeakPolarHBondContact O-CD 3.15Å; R233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-T237 PolarHBondContact O-N 3.23Å; P235-A259 HydrophobicContact CB-CB 4.23Å; P235-A259 WeakPolarHBondContact CB-O 2.95Å; P235-R262 HydrophobicContact CB-CB 4.12Å; P235-R262 WeakPolarHBondContact O-CD 3.31Å; P235-R262 PolarHBondContact O-NH1 3.11Å; P235-R262 VanDerWaalsContact O-NH1 3.08Å; P235-L263 HydrophobicContact CB-CD1 4.35Å; P235-L263 HydrophobicContact CB-CD2 3.91Å; P235-L263 HydrophobicContact CB-CG 3.77Å; P235-L263 HydrophobicContact CG-CD1 4.18Å; P235-L263 HydrophobicContact CG-CD2 3.86Å; P235-L263 HydrophobicContact CG-CG 3.99Å; P235-F267 HydrophobicContact CB-CZ 4.28Å
236	V	98.6	Very high	96.2	Very high	12 Å²	12	47.2 Å²	47.2	7%	0.073	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.1	126.7	-172.6	-173.6	0	0	0	0	110.6	W225 T226 S234 P360 V404 K420	W225-V236 HydrophobicContact CB-CG2 3.73Å; T226-V236 HydrophobicContact CG2-CB 4.27Å; T226-V236 HydrophobicContact CG2-CG1 4.29Å; T226-V236 HydrophobicContact CG2-CG2 4.07Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact OG-N 2.95Å; S234-V236 VanDerWaalsContact OG-N 3.15Å; V236-P360 HydrophobicContact CG2-CG 4.11Å; V236-V404 HydrophobicContact CG1-CG1 4.06Å; V236-V404 HydrophobicContact CG2-CB 4.26Å; V236-V404 HydrophobicContact CG2-CG1 3.97Å; V236-K420 HydrophobicContact CG1-CD 3.88Å
237	T	98	Very high	96.1	Very high	3 Å²	3	46 Å²	46	2%	0.018	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-72	161.6	176.7	50.9	0	0	0	0	112.1	P235 E258 R262 I272 K420	P235-T237 PolarHBondContact O-N 3.23Å; T237-E258 WeakPolarHBondContact CB-OE2 3.43Å; T237-E258 HydrophobicContact CG2-CB 3.82Å; T237-E258 HydrophobicContact CG2-CG 4.29Å; T237-E258 WeakPolarHBondContact CG2-OE2 3.11Å; T237-E258 PolarHBondContact OG1-OE2 2.86Å; T237-R262 VanDerWaalsContact CG2-CZ 3.45Å; T237-I272 HydrophobicContact CG2-CD1 3.68Å; T237-K420 VanDerWaalsContact C-NZ 3.34Å; T237-K420 PolarHBondContact O-NZ 2.98Å; T237-K420 PolarHBondContact OG1-NZ 2.97Å
238	P	97.7	Very high	96.2	Very high	96 Å²	96	42 Å²	42	62%	0.623	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-55.7	156.6	174.1	-26.4	35.9	0	0	0	113.6	K420	P238-K420 WeakPolarHBondContact O-CE 3Å; P238-K420 PolarHBondContact O-NZ 3.28Å
239	I	98.6	Very high	96.1	Very high	24 Å²	24	41.4 Å²	41.4	12%	0.123	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63	142.5	172.4	-63.5	-59.8	0	0	0	110.2	K420 G424 V425 Q430 G431 Y432	I239-K420 HydrophobicContact CD1-CB 4.43Å; I239-K420 HydrophobicContact CD1-CD 4.02Å; I239-K420 HydrophobicContact CD1-CG 3.64Å; I239-G424 VanDerWaalsContact CG2-C 3.47Å; I239-V425 HydrophobicContact CB-CG1 3.68Å; I239-V425 HydrophobicContact CG1-CG1 4.32Å; I239-V425 HydrophobicContact CG2-CG1 3.9Å; I239-Q430 WeakPolarHBondContact CG1-O 3.5Å; I239-G431 WeakPolarHBondContact CD1-O 3.19Å; I239-Y432 HydrophobicContact CD1-CD2 4Å; I239-Y432 HydrophobicContact CD1-CE1 4.21Å; I239-Y432 HydrophobicContact CD1-CE2 3.61Å; I239-Y432 HydrophobicContact CD1-CG 4.45Å; I239-Y432 HydrophobicContact CG1-CD2 4.31Å; I239-Y432 HydrophobicContact CG1-CE2 3.8Å
240	R	98.4	Very high	96.5	Very high	59 Å²	59	36.8 Å²	36.8	22%	0.223	22%	0.216	C	C	.	.			trans	-126	173.3	174.8	-60.6	-177.7	65	175.3	-1.4	109.9	F251 L273 E309 S422 G424	R240-F251 HydrophobicContact CB-CD1 4.08Å; R240-F251 HydrophobicContact CB-CE1 3.65Å; R240-L273 PolarHBondContact NH1-O 2.92Å; R240-L273 VanDerWaalsContact NH1-O 3.12Å; R240-E309 IonicContact CZ-OE1 2.77Å; R240-E309 IonicContact CZ-OE2 2.99Å; R240-E309 VanDerWaalsContact CZ-OE2 3.24Å; R240-E309 IonicContact NH1-OE2 2.72Å; R240-E309 PolarHBondContact NH1-OE2 3.39Å; R240-E309 IonicContact NH2-OE1 3.58Å; R240-E309 PolarHBondContact NH2-OE1 2.8Å; R240-E309 IonicContact NH2-OE2 3.62Å; R240-E309 PolarHBondContact NH2-OE2 2.87Å; R240-S422 CarbonylContact O-C 3.47Å; R240-S422 WeakPolarHBondContact O-CA 3.37Å; R240-G424 PolarHBondContact O-N 3.14Å; R240-G424 VanDerWaalsContact O-N 3.11Å
241	N	97.9	Very high	96.8	Very high	77 Å²	77	31.6 Å²	31.6	41%	0.412	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-127.2	121.6	179.4	-166.4	-16.9	0	0	0	110.5	G243 S422	N241-G243 VanDerWaalsContact C-N 3.32Å; N241-G243 PolarHBondContact OD1-N 2.7Å; N241-S422 CarbonylContact C-O 3.4Å; N241-S422 VanDerWaalsContact CA-O 3.32Å; N241-S422 WeakPolarHBondContact CA-O 3.05Å
242	Q	97.2	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.154	C	C	.	.			trans	-80.5	-11.9	176.1	77.2	-174.3	78.9	0	0	113	R189 C245 F251 Y314 H399 S422	R189-Q242 PolarHBondContact O-NE2 3.1Å; R189-Q242 VanDerWaalsContact O-NE2 3.1Å; Q242-C245 PolarHBondContact NE2-O 2.84Å; Q242-F251 HydrophobicContact CB-CD2 3.75Å; Q242-F251 HydrophobicContact CB-CE2 3.48Å; Q242-F251 VanDerWaalsContact CB-CE2 3.48Å; Q242-F251 HydrophobicContact CB-CZ 4.05Å; Q242-Y314 WeakPolarHBondContact CA-OH 3.27Å; Q242-Y314 PolarHBondContact O-OH 2.88Å; Q242-H399 PolarHBondContact OE1-CE1 3.37Å; Q242-S422 WeakPolarHBondContact CG-O 2.92Å; Q242-S422 PolarHBondContact N-O 3.27Å; Q242-S422 PolarHBondContact OE1-OG 3.01Å
243	G	95.8	Very high	97.2	Very high	22 Å²	22	26.1 Å²	26.1	23%	0.227	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-136.2	-174.1	0	0	0	0	0	112.5	R189 N241	R189-G243 WeakPolarHBondContact CD-O 3.4Å; R189-G243 VanDerWaalsContact CG-O 3.3Å; R189-G243 WeakPolarHBondContact CG-O 3.36Å; N241-G243 VanDerWaalsContact C-N 3.32Å; N241-G243 PolarHBondContact OD1-N 2.7Å
244	I	93.6	Very high	97.3	Very high	66 Å²	66	19.9 Å²	19.9	34%	0.338	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.8	-177.3	61.6	170.2	0	0	0	113.7	Y181 E185 N188	Y181-I244 HydrophobicContact CD1-CG2 3.37Å; Y181-I244 HydrophobicContact CE1-CG2 3.39Å; Y181-I244 HydrophobicContact CG-CG2 4.3Å; E185-I244 HydrophobicContact CB-CB 4.15Å; E185-I244 HydrophobicContact CB-CG2 3.95Å; E185-I244 HydrophobicContact CG-CB 4.18Å; E185-I244 HydrophobicContact CG-CD1 4.1Å; E185-I244 HydrophobicContact CG-CG2 4.17Å; N188-I244 PolarHBondContact ND2-O 2.93Å
245	C	94.2	Very high	97.3	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	11%	0.108	C	C	.	.	S	Bend	trans	-71.7	133.3	179.4	-178.4	0	0	0	0	109.7	Q242 S247 C288 Y314 G316	Q242-C245 PolarHBondContact NE2-O 2.84Å; C245-S247 PolarHBondContact O-N 2.71Å; C245-S247 VanDerWaalsContact SG-CB 3.52Å; C245-C288 HydrophobicContact CB-CB 3.95Å; C245-C288 WeakPolarHBondContact CB-SG 3.23Å; C245-C288 WeakPolarHBondContact SG-CA 3.18Å; C245-C288 WeakPolarHBondContact SG-CB 3.31Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 3.3Å; C245-Y314 WeakPolarHBondContact CB-OH 3.41Å; C245-G316 WeakPolarHBondContact CB-O 3.4Å
246	G	93.4	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-73.8	43.1	172.8	0	0	0	0	0	113.4	N188 Y249 C288	N188-G246 PolarHBondContact ND2-N 2.9Å; N188-G246 WeakPolarHBondContact O-CA 3.31Å; G246-Y249 WeakPolarHBondContact O-CD1 3.38Å; G246-Y249 VanDerWaalsContact O-CE1 3.23Å; G246-Y249 WeakPolarHBondContact O-CE1 3.39Å; G246-C288 VanDerWaalsContact CA-O 3.29Å; G246-C288 WeakPolarHBondContact CA-O 3.23Å; G246-C288 PolarHBondContact N-O 2.75Å
247	S	96	Very high	97.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.			trans	-94.3	19.3	-177.6	59.8	0	0	0	0	113.8	C245 Y249 A250 F251 Y314	C245-S247 PolarHBondContact O-N 2.71Å; C245-S247 VanDerWaalsContact SG-CB 3.52Å; S247-Y249 PolarHBondContact O-N 3.2Å; S247-A250 WeakPolarHBondContact O-CB 3.37Å; S247-A250 PolarHBondContact O-N 3.11Å; S247-F251 WeakPolarHBondContact O-CD2 3.4Å; S247-F251 PolarHBondContact O-N 3.38Å; S247-F251 VanDerWaalsContact O-N 3.17Å; S247-F251 WeakPolarHBondContact OG-CE2 3.46Å; S247-Y314 PolarHBondContact OG-OH 3.5Å
248	C	97.3	Very high	97.4	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.027	10%	0.104	C	C	.	.	H	α-helix	trans	-52.8	-39.1	-179.2	58.1	0	0	0	0	113	A250 F251 A252 H399 A400	C248-A250 VanDerWaalsContact C-N 3.26Å; C248-A250 PolarHBondContact O-N 3.13Å; C248-F251 PolarHBondContact O-N 3.16Å; C248-A252 WeakPolarHBondContact O-CB 3.47Å; C248-A252 PolarHBondContact O-N 3.42Å; C248-H399 WeakPolarHBondContact CB-CE1 3.39Å; C248-H399 WeakPolarHBondContact CB-ND1 3.34Å; C248-H399 PolarHBondContact SG-ND1 2.67Å; C248-H399 VanDerWaalsContact SG-ND1 3.39Å; C248-A400 HydrophobicContact CB-CB 4.33Å; C248-A400 PolarHBondContact SG-N 3.22Å
249	Y	96.1	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.1	-37.1	175.8	68.1	-94.3	0	0	0	112.3	G246 S247 S253 V278 S285 G287 G290 G291 I296	G246-Y249 WeakPolarHBondContact O-CD1 3.38Å; G246-Y249 VanDerWaalsContact O-CE1 3.23Å; G246-Y249 WeakPolarHBondContact O-CE1 3.39Å; S247-Y249 PolarHBondContact O-N 3.2Å; Y249-S253 WeakPolarHBondContact O-CB 3.26Å; Y249-S253 PolarHBondContact O-N 3.15Å; Y249-S253 VanDerWaalsContact O-N 3.15Å; Y249-S253 PolarHBondContact O-OG 2.87Å; Y249-V278 HydrophobicContact CE2-CG1 3.87Å; Y249-S285 VanDerWaalsContact CE2-CB 3.49Å; Y249-S285 WeakPolarHBondContact OH-CB 3.45Å; Y249-S285 PolarHBondContact OH-OG 3.26Å; Y249-G287 WeakPolarHBondContact CE1-O 3.44Å; Y249-G287 PolarHBondContact OH-O 2.95Å; Y249-G290 WeakPolarHBondContact CE1-O 3.5Å; Y249-G291 VanDerWaalsContact CB-C 3.48Å; Y249-G291 VanDerWaalsContact CB-O 3.31Å; Y249-G291 WeakPolarHBondContact CB-O 3.27Å; Y249-G291 VanDerWaalsContact CD1-CA 3.49Å; Y249-I296 HydrophobicContact CD2-CB 4.23Å; Y249-I296 HydrophobicContact CD2-CG1 3.59Å; Y249-I296 HydrophobicContact CD2-CG2 4.29Å; Y249-I296 HydrophobicContact CE2-CD1 4.42Å; Y249-I296 HydrophobicContact CE2-CG1 3.92Å
250	A	98.1	Very high	97.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-74.6	-42.8	179.4	0	0	0	0	0	110.7	S247 C248 A254 P275 V278	S247-A250 WeakPolarHBondContact O-CB 3.37Å; S247-A250 PolarHBondContact O-N 3.11Å; C248-A250 VanDerWaalsContact C-N 3.26Å; C248-A250 PolarHBondContact O-N 3.13Å; A250-A254 WeakPolarHBondContact O-CB 2.98Å; A250-A254 PolarHBondContact O-N 3.17Å; A250-P275 HydrophobicContact CB-CB 3.93Å; A250-V278 HydrophobicContact CB-CB 3.88Å; A250-V278 HydrophobicContact CB-CG1 3.87Å; A250-V278 HydrophobicContact CB-CG2 4.43Å
251	F	98.7	Very high	97.4	Very high	14 Å²	14	10 Å²	10	6%	0.061	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-47.8	176.1	-83.7	-92.7	0	0	0	112.5	R240 Q242 S247 C248 S253 A254 A255 P275 Y314	R240-F251 HydrophobicContact CB-CD1 4.08Å; R240-F251 HydrophobicContact CB-CE1 3.65Å; Q242-F251 HydrophobicContact CB-CD2 3.75Å; Q242-F251 HydrophobicContact CB-CE2 3.48Å; Q242-F251 VanDerWaalsContact CB-CE2 3.48Å; Q242-F251 HydrophobicContact CB-CZ 4.05Å; S247-F251 WeakPolarHBondContact O-CD2 3.4Å; S247-F251 PolarHBondContact O-N 3.38Å; S247-F251 VanDerWaalsContact O-N 3.17Å; S247-F251 WeakPolarHBondContact OG-CE2 3.46Å; C248-F251 PolarHBondContact O-N 3.16Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 3.44Å; F251-A254 PolarHBondContact O-N 2.03Å; F251-A255 VanDerWaalsContact O-CB 3.23Å; F251-A255 WeakPolarHBondContact O-CB 3.45Å; F251-A255 PolarHBondContact O-N 2.92Å; F251-P275 HydrophobicContact CD1-CG 3.97Å; F251-P275 HydrophobicContact CD2-CB 3.9Å; F251-P275 HydrophobicContact CD2-CG 4.13Å; F251-P275 HydrophobicContact CE1-CG 3.88Å; F251-P275 HydrophobicContact CE2-CB 3.81Å; F251-P275 HydrophobicContact CE2-CG 4.04Å; F251-P275 HydrophobicContact CG-CB 4.32Å; F251-P275 HydrophobicContact CG-CG 4.1Å; F251-P275 HydrophobicContact CZ-CB 4.16Å; F251-P275 HydrophobicContact CZ-CG 3.92Å; F251-Y314 HydrophobicContact CE2-CD1 4.45Å; F251-Y314 HydrophobicContact CE2-CD2 4.03Å; F251-Y314 AromaticContact CE2-CE1 3.93Å; F251-Y314 HydrophobicContact CE2-CE1 3.93Å; F251-Y314 AromaticContact CE2-CE2 3.47Å; F251-Y314 HydrophobicContact CE2-CE2 3.47Å; F251-Y314 VanDerWaalsContact CE2-CE2 3.47Å; F251-Y314 HydrophobicContact CE2-CG 4.48Å; F251-Y314 AromaticContact CE2-CZ 3.4Å; F251-Y314 VanDerWaalsContact CE2-CZ 3.4Å; F251-Y314 AromaticContact CZ-CD1 3.86Å; F251-Y314 HydrophobicContact CZ-CD1 3.86Å; F251-Y314 AromaticContact CZ-CD2 3.94Å; F251-Y314 HydrophobicContact CZ-CD2 3.94Å; F251-Y314 AromaticContact CZ-CE1 3.7Å; F251-Y314 HydrophobicContact CZ-CE1 3.7Å; F251-Y314 AromaticContact CZ-CE2 3.79Å; F251-Y314 HydrophobicContact CZ-CE2 3.79Å; F251-Y314 AromaticContact CZ-CG 3.96Å; F251-Y314 HydrophobicContact CZ-CG 3.96Å; F251-Y314 AromaticContact CZ-CZ 3.66Å
252	A	98.8	Very high	97.5	Very high	3 Å²	3	7.3 Å²	7.3	3%	0.025	4%	0.043	C	C	.	.	H	α-helix	trans	-63	-42.5	179.9	0	0	0	0	0	111.3	C248 A256 P362 A400	C248-A252 WeakPolarHBondContact O-CB 3.47Å; C248-A252 PolarHBondContact O-N 3.42Å; A252-A256 WeakPolarHBondContact O-CB 3.2Å; A252-A256 PolarHBondContact O-N 2.78Å; A252-P362 HydrophobicContact CB-CB 3.83Å; A252-A400 HydrophobicContact CB-CB 4.02Å
253	S	98.8	Very high	97.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.1	-47.7	178.1	-58.2	0	0	0	0	112.4	Y249 F251 A256 L257 A297	Y249-S253 WeakPolarHBondContact O-CB 3.26Å; Y249-S253 PolarHBondContact O-N 3.15Å; Y249-S253 VanDerWaalsContact O-N 3.15Å; Y249-S253 PolarHBondContact O-OG 2.87Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 3.44Å; S253-A256 PolarHBondContact O-N 2.99Å; S253-L257 PolarHBondContact O-N 3.3Å; S253-A297 PolarHBondContact OG-N 3.24Å
254	A	98.8	Very high	97.6	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.017	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-49.8	177.3	0	0	0	0	0	111.2	A250 F251 A256 L257 E258 L273 F306	A250-A254 WeakPolarHBondContact O-CB 2.98Å; A250-A254 PolarHBondContact O-N 3.17Å; F251-A254 PolarHBondContact O-N 2.03Å; A254-A256 VanDerWaalsContact C-N 3.29Å; A254-A256 PolarHBondContact O-N 3.25Å; A254-L257 PolarHBondContact O-N 2.63Å; A254-L257 VanDerWaalsContact O-N 3.16Å; A254-E258 VanDerWaalsContact O-CG 3.22Å; A254-E258 WeakPolarHBondContact O-CG 3.48Å; A254-E258 PolarHBondContact O-N 3.39Å; A254-L273 HydrophobicContact CB-CB 4.03Å; A254-F306 HydrophobicContact CB-CD1 4.41Å; A254-F306 HydrophobicContact CB-CE1 4.31Å
255	A	98.8	Very high	97.7	Very high	9 Å²	9	9.8 Å²	9.8	7%	0.074	6%	0.055	C	C	.	.	H	α-helix	trans	-64.3	-33.1	-178.5	0	0	0	0	0	113	F251 E258 A259 L402	F251-A255 VanDerWaalsContact O-CB 3.23Å; F251-A255 WeakPolarHBondContact O-CB 3.45Å; F251-A255 PolarHBondContact O-N 2.92Å; A255-E258 WeakPolarHBondContact CA-OE2 2.98Å; A255-A259 WeakPolarHBondContact O-CB 3.03Å; A255-A259 PolarHBondContact O-N 2.75Å; A255-A259 VanDerWaalsContact O-N 3.15Å; A255-L402 HydrophobicContact CB-CD2 3.92Å
256	A	98.9	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-48.3	172.9	0	0	0	0	0	111.3	A252 S253 A254 A259 R260 P362 L402 F451	A252-A256 WeakPolarHBondContact O-CB 3.2Å; A252-A256 PolarHBondContact O-N 2.78Å; S253-A256 PolarHBondContact O-N 2.99Å; A254-A256 VanDerWaalsContact C-N 3.29Å; A254-A256 PolarHBondContact O-N 3.25Å; A256-A259 PolarHBondContact O-N 3.09Å; A256-R260 WeakPolarHBondContact O-CG 3.41Å; A256-R260 PolarHBondContact O-N 3.18Å; A256-P362 HydrophobicContact CB-CG 4.4Å; A256-L402 HydrophobicContact CB-CD1 3.51Å; A256-F451 HydrophobicContact CB-CE1 3.91Å; A256-F451 HydrophobicContact CB-CZ 3.63Å
257	L	98.9	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.6	-42.2	179.9	-179.6	55.1	0	0	0	111.7	S253 A254 A259 R260 I261 L273 F306 T333 F451 P453	S253-L257 PolarHBondContact O-N 3.3Å; A254-L257 PolarHBondContact O-N 2.63Å; A254-L257 VanDerWaalsContact O-N 3.16Å; L257-A259 VanDerWaalsContact C-N 3.35Å; L257-A259 PolarHBondContact O-N 3.46Å; L257-R260 PolarHBondContact O-N 3.41Å; L257-I261 HydrophobicContact CD1-CD1 3.68Å; L257-I261 HydrophobicContact CD1-CG1 3.84Å; L257-I261 HydrophobicContact CD2-CD1 4.45Å; L257-I261 HydrophobicContact CG-CD1 3.66Å; L257-I261 HydrophobicContact CG-CG1 4.31Å; L257-I261 WeakPolarHBondContact O-CB 3.13Å; L257-I261 VanDerWaalsContact O-CG1 3.25Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 2.74Å; L257-L273 HydrophobicContact CB-CD1 3.83Å; L257-L273 HydrophobicContact CD2-CD1 3.68Å; L257-L273 HydrophobicContact CG-CD1 3.73Å; L257-F306 HydrophobicContact CD2-CB 4.15Å; L257-F306 HydrophobicContact CD2-CD2 3.4Å; L257-F306 HydrophobicContact CD2-CE2 3.97Å; L257-F306 HydrophobicContact CD2-CG 3.9Å; L257-T333 HydrophobicContact CD1-CG2 3.7Å; L257-T333 HydrophobicContact CD2-CG2 3.83Å; L257-T333 HydrophobicContact CG-CG2 4.32Å; L257-F451 HydrophobicContact CB-CE2 4.05Å; L257-F451 HydrophobicContact CB-CZ 4.2Å; L257-F451 HydrophobicContact CD1-CE2 3.88Å; L257-P453 HydrophobicContact CD1-CB 3.95Å; L257-P453 HydrophobicContact CD1-CG 4.08Å
258	E	98.8	Very high	98.1	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-54.1	-49.4	173.1	-70.6	167.1	171.6	0	0	112	T237 A254 A255 R262 I272 L273	T237-E258 WeakPolarHBondContact CB-OE2 3.43Å; T237-E258 HydrophobicContact CG2-CB 3.82Å; T237-E258 HydrophobicContact CG2-CG 4.29Å; T237-E258 WeakPolarHBondContact CG2-OE2 3.11Å; T237-E258 PolarHBondContact OG1-OE2 2.86Å; A254-E258 VanDerWaalsContact O-CG 3.22Å; A254-E258 WeakPolarHBondContact O-CG 3.48Å; A254-E258 PolarHBondContact O-N 3.39Å; A255-E258 WeakPolarHBondContact CA-OE2 2.98Å; E258-R262 WeakPolarHBondContact O-CD 3.37Å; E258-R262 VanDerWaalsContact O-CG 3.28Å; E258-R262 WeakPolarHBondContact O-CG 3.32Å; E258-R262 PolarHBondContact O-N 2.95Å; E258-I272 WeakPolarHBondContact OE1-CA 3.49Å; E258-L273 HydrophobicContact CG-CB 4.19Å; E258-L273 HydrophobicContact CG-CD1 3.95Å; E258-L273 HydrophobicContact CG-CG 3.75Å; E258-L273 PolarHBondContact OE1-N 2.92Å
259	A	98.8	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.7	-44.1	-179.3	0	0	0	0	0	111.5	P235 A255 A256 L257 R262 L263 P360	P235-A259 HydrophobicContact CB-CB 4.23Å; P235-A259 WeakPolarHBondContact CB-O 2.95Å; A255-A259 WeakPolarHBondContact O-CB 3.03Å; A255-A259 PolarHBondContact O-N 2.75Å; A255-A259 VanDerWaalsContact O-N 3.15Å; A256-A259 PolarHBondContact O-N 3.09Å; L257-A259 VanDerWaalsContact C-N 3.35Å; L257-A259 PolarHBondContact O-N 3.46Å; A259-R262 WeakPolarHBondContact O-CB 3.36Å; A259-R262 PolarHBondContact O-N 3.19Å; A259-L263 WeakPolarHBondContact O-CG 3.48Å; A259-L263 PolarHBondContact O-N 3.04Å; A259-L263 VanDerWaalsContact O-N 3.12Å; A259-P360 HydrophobicContact CB-CB 4.14Å; A259-P360 HydrophobicContact CB-CG 3.83Å
260	R	98.7	Very high	98.2	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-41.1	-179.9	-68.8	-172.8	176.2	-136.5	-17	112.3	A256 L257 R262 L263 V264 E354 G359 P360 F451 P453	A256-R260 WeakPolarHBondContact O-CG 3.41Å; A256-R260 PolarHBondContact O-N 3.18Å; L257-R260 PolarHBondContact O-N 3.41Å; R260-R262 VanDerWaalsContact C-N 3.3Å; R260-R262 PolarHBondContact O-N 2.89Å; R260-L263 PolarHBondContact O-N 3.33Å; R260-L263 VanDerWaalsContact O-N 3.14Å; R260-V264 VanDerWaalsContact O-CG1 3.31Å; R260-V264 WeakPolarHBondContact O-CG1 3.29Å; R260-V264 PolarHBondContact O-N 3.18Å; R260-E354 IonicContact CZ-OE1 2.64Å; R260-E354 IonicContact NH1-OE1 2.8Å; R260-E354 PolarHBondContact NH1-OE1 3.16Å; R260-E354 IonicContact NH2-OE1 3.4Å; R260-E354 PolarHBondContact NH2-OE1 2.81Å; R260-G359 PolarHBondContact NH2-O 3.05Å; R260-P360 PolarHBondContact NE-O 3.12Å; R260-F451 PolarHBondContact NH1-O 2.94Å; R260-P453 HydrophobicContact CB-CG 3.46Å; R260-P453 VanDerWaalsContact CB-CG 3.46Å
261	I	98.6	Very high	98.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-57.1	-44.9	173.6	-72.3	164.8	0	0	0	110.7	L257 L263 V264 S265 E269 P271 Y331 P453 L455	L257-I261 HydrophobicContact CD1-CD1 3.68Å; L257-I261 HydrophobicContact CD1-CG1 3.84Å; L257-I261 HydrophobicContact CD2-CD1 4.45Å; L257-I261 HydrophobicContact CG-CD1 3.66Å; L257-I261 HydrophobicContact CG-CG1 4.31Å; L257-I261 WeakPolarHBondContact O-CB 3.13Å; L257-I261 VanDerWaalsContact O-CG1 3.25Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 2.74Å; I261-L263 VanDerWaalsContact C-N 3.29Å; I261-L263 PolarHBondContact O-N 2.89Å; I261-V264 PolarHBondContact O-N 2.88Å; I261-S265 WeakPolarHBondContact O-CB 3.45Å; I261-S265 PolarHBondContact O-N 3.29Å; I261-S265 PolarHBondContact O-OG 2.76Å; I261-E269 HydrophobicContact CG2-CB 3.73Å; I261-P271 HydrophobicContact CB-CG 4.32Å; I261-P271 HydrophobicContact CD1-CG 3.82Å; I261-P271 HydrophobicContact CG2-CG 3.93Å; I261-Y331 HydrophobicContact CD1-CD1 3.49Å; I261-Y331 VanDerWaalsContact CD1-CD1 3.49Å; I261-Y331 HydrophobicContact CD1-CE1 4.2Å; I261-Y331 HydrophobicContact CD1-CG 3.9Å; I261-P453 HydrophobicContact CG1-CB 3.87Å; I261-P453 HydrophobicContact CG1-CG 4.32Å; I261-L455 HydrophobicContact CG2-CD2 4.24Å
262	R	98.4	Very high	98.1	Very high	21 Å²	21	32.1 Å²	32.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-39.8	177.8	-72	165.3	175.2	-149.7	-7.8	112.2	P235 T237 E258 A259 R260 N266 F267 Q270	P235-R262 HydrophobicContact CB-CB 4.12Å; P235-R262 WeakPolarHBondContact O-CD 3.31Å; P235-R262 PolarHBondContact O-NH1 3.11Å; P235-R262 VanDerWaalsContact O-NH1 3.08Å; T237-R262 VanDerWaalsContact CG2-CZ 3.45Å; E258-R262 WeakPolarHBondContact O-CD 3.37Å; E258-R262 VanDerWaalsContact O-CG 3.28Å; E258-R262 WeakPolarHBondContact O-CG 3.32Å; E258-R262 PolarHBondContact O-N 2.95Å; A259-R262 WeakPolarHBondContact O-CB 3.36Å; A259-R262 PolarHBondContact O-N 3.19Å; R260-R262 VanDerWaalsContact C-N 3.3Å; R260-R262 PolarHBondContact O-N 2.89Å; R262-N266 PolarHBondContact O-N 3.02Å; R262-F267 HydrophobicContact CB-CD1 4.02Å; R262-F267 HydrophobicContact CB-CE1 3.93Å; R262-F267 HydrophobicContact CB-CZ 4.46Å; R262-F267 HydrophobicContact CG-CD1 4.35Å; R262-F267 HydrophobicContact CG-CE1 4.47Å; R262-F267 PolarHBondContact O-N 3.19Å; R262-Q270 HydrophobicContact CG-CG 4.24Å
263	L	97.7	Very high	98.1	Very high	48 Å²	48	32 Å²	32	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-67.3	-54.8	176.8	-68.8	172.1	0	0	0	111.6	W225 P235 A259 R260 I261 S265 N266	W225-L263 HydrophobicContact CE3-CD2 4.19Å; W225-L263 HydrophobicContact CH2-CD1 4.17Å; W225-L263 HydrophobicContact CH2-CD2 3.77Å; W225-L263 HydrophobicContact CZ2-CD1 4.03Å; W225-L263 HydrophobicContact CZ2-CD2 4.47Å; W225-L263 HydrophobicContact CZ3-CD1 4.48Å; W225-L263 HydrophobicContact CZ3-CD2 3.61Å; P235-L263 HydrophobicContact CB-CD1 4.35Å; P235-L263 HydrophobicContact CB-CD2 3.91Å; P235-L263 HydrophobicContact CB-CG 3.77Å; P235-L263 HydrophobicContact CG-CD1 4.18Å; P235-L263 HydrophobicContact CG-CD2 3.86Å; P235-L263 HydrophobicContact CG-CG 3.99Å; A259-L263 WeakPolarHBondContact O-CG 3.48Å; A259-L263 PolarHBondContact O-N 3.04Å; A259-L263 VanDerWaalsContact O-N 3.12Å; R260-L263 PolarHBondContact O-N 3.33Å; R260-L263 VanDerWaalsContact O-N 3.14Å; I261-L263 VanDerWaalsContact C-N 3.29Å; I261-L263 PolarHBondContact O-N 2.89Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 2.67Å; L263-N266 PolarHBondContact O-N 3.03Å
264	V	97.5	Very high	98	Very high	83 Å²	83	32 Å²	32	50%	0.503	18%	0.175	S	C	.	.	H	α-helix	trans	-68.9	-30.9	-174.6	66.2	0	0	0	0	112.8	R260 I261 N266 P453 L455	R260-V264 VanDerWaalsContact O-CG1 3.31Å; R260-V264 WeakPolarHBondContact O-CG1 3.29Å; R260-V264 PolarHBondContact O-N 3.18Å; I261-V264 PolarHBondContact O-N 2.88Å; V264-N266 VanDerWaalsContact C-N 3.3Å; V264-N266 PolarHBondContact O-N 3.16Å; V264-P453 HydrophobicContact CG1-CB 4.08Å; V264-P453 HydrophobicContact CG1-CG 4.07Å; V264-L455 HydrophobicContact CB-CD1 4.2Å; V264-L455 HydrophobicContact CG1-CD1 3.66Å; V264-L455 HydrophobicContact CG1-CD2 3.88Å; V264-L455 HydrophobicContact CG1-CG 3.74Å; V264-L455 HydrophobicContact CG2-CD1 3.85Å; V264-L455 HydrophobicContact CG2-CG 4.45Å
265	S	97.5	Very high	98	Very high	10 Å²	10	31.9 Å²	31.9	7%	0.07	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2.3	177.8	72.4	0	0	0	0	113.5	I261 L263 F267 S268 E269	I261-S265 WeakPolarHBondContact O-CB 3.45Å; I261-S265 PolarHBondContact O-N 3.29Å; I261-S265 PolarHBondContact O-OG 2.76Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 2.67Å; S265-F267 PolarHBondContact O-N 3.4Å; S265-S268 WeakPolarHBondContact CB-OG 3.24Å; S265-S268 WeakPolarHBondContact O-CB 3.35Å; S265-S268 PolarHBondContact O-N 2.04Å; S265-S268 VanDerWaalsContact O-N 3.09Å; S265-S268 PolarHBondContact O-OG 3.5Å; S265-E269 PolarHBondContact OG-N 3.11Å; S265-E269 VanDerWaalsContact OG-N 3.17Å; S265-E269 PolarHBondContact OG-O 3.43Å
266	N	96.6	Very high	97.9	Very high	137 Å²	137	31.5 Å²	31.5	73%	0.733	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	47.7	-171.3	-169.6	30.4	0	0	0	112.3	R262 L263 V264 S268	R262-N266 PolarHBondContact O-N 3.02Å; L263-N266 PolarHBondContact O-N 3.03Å; V264-N266 VanDerWaalsContact C-N 3.3Å; V264-N266 PolarHBondContact O-N 3.16Å; N266-S268 PolarHBondContact O-N 2.6Å
267	F	97.5	Very high	97.8	Very high	35 Å²	35	31.5 Å²	31.5	15%	0.154	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	9.1	-179.4	-61.6	-93.1	0	0	0	116.5	R233 P235 R262 S265 E269 Q270	R233-F267 HydrophobicContact CB-CE1 4.05Å; R233-F267 HydrophobicContact CB-CE2 4.21Å; R233-F267 HydrophobicContact CB-CZ 3.87Å; R233-F267 HydrophobicContact CG-CD1 4.28Å; R233-F267 HydrophobicContact CG-CE1 3.8Å; R233-F267 HydrophobicContact CG-CZ 4.12Å; R233-F267 WeakPolarHBondContact O-CZ 3.42Å; P235-F267 HydrophobicContact CB-CZ 4.28Å; R262-F267 HydrophobicContact CB-CD1 4.02Å; R262-F267 HydrophobicContact CB-CE1 3.93Å; R262-F267 HydrophobicContact CB-CZ 4.46Å; R262-F267 HydrophobicContact CG-CD1 4.35Å; R262-F267 HydrophobicContact CG-CE1 4.47Å; R262-F267 PolarHBondContact O-N 3.19Å; S265-F267 PolarHBondContact O-N 3.4Å; F267-E269 PolarHBondContact O-N 2.72Å; F267-Q270 PolarHBondContact O-NE2 3.02Å
268	S	97.7	Very high	97.8	Very high	99 Å²	99	31.5 Å²	31.5	69%	0.692	17%	0.171	S	C	*	.	S	Bend	trans	-65.3	-27.7	169.9	63.4	0	0	0	0	111.6	S265 N266	S265-S268 WeakPolarHBondContact CB-OG 3.24Å; S265-S268 WeakPolarHBondContact O-CB 3.35Å; S265-S268 PolarHBondContact O-N 2.04Å; S265-S268 VanDerWaalsContact O-N 3.09Å; S265-S268 PolarHBondContact O-OG 3.5Å; N266-S268 PolarHBondContact O-N 2.6Å
269	E	97	Very high	97.6	Very high	63 Å²	63	31.3 Å²	31.3	29%	0.294	17%	0.17	S	C	.	.			trans	-116.2	133.2	170	-64.3	-158.1	-125.8	0	0	112	I261 S265 F267 Y331	I261-E269 HydrophobicContact CG2-CB 3.73Å; S265-E269 PolarHBondContact OG-N 3.11Å; S265-E269 VanDerWaalsContact OG-N 3.17Å; S265-E269 PolarHBondContact OG-O 3.43Å; F267-E269 PolarHBondContact O-N 2.72Å; E269-Y331 VanDerWaalsContact OE2-CE1 3.23Å; E269-Y331 WeakPolarHBondContact OE2-CE1 3.49Å; E269-Y331 PolarHBondContact OE2-OH 2.71Å
270	Q	97.1	Very high	97.4	Very high	83 Å²	83	31.5 Å²	31.5	39%	0.388	17%	0.171	S	C	.	.			trans	-138.7	56.4	-176.7	-63.3	170.9	60.1	0	0	110.9	R233 R262 F267	R233-Q270 VanDerWaalsContact NH1-CD 3.28Å; R262-Q270 HydrophobicContact CG-CG 4.24Å; F267-Q270 PolarHBondContact O-NE2 3.02Å
271	P	96.7	Very high	97.2	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.052	17%	0.172	C	C	.	.			trans	-62.7	152.3	-179.2	28.6	-34.6	0	0	0	111.2	I261 L273 Y331	I261-P271 HydrophobicContact CB-CG 4.32Å; I261-P271 HydrophobicContact CD1-CG 3.82Å; I261-P271 HydrophobicContact CG2-CG 3.93Å; P271-L273 HydrophobicContact CB-CD2 3.93Å; P271-L273 HydrophobicContact CB-CG 4.43Å; P271-L273 HydrophobicContact CG-CD2 4.43Å; P271-Y331 HydrophobicContact CB-CD2 4.27Å; P271-Y331 HydrophobicContact CB-CE1 4.25Å; P271-Y331 HydrophobicContact CB-CE2 3.68Å; P271-Y331 HydrophobicContact CG-CD1 4.4Å; P271-Y331 HydrophobicContact CG-CE1 4.04Å; P271-Y331 HydrophobicContact CG-CE2 4.29Å
272	I	98.1	Very high	97	Very high	63 Å²	63	31.5 Å²	31.5	32%	0.323	17%	0.172	S	C	.	.			trans	-115.6	115.6	158.6	-57.4	-62.1	0	0	0	104.6	T237 E258 S308 E309	T237-I272 HydrophobicContact CG2-CD1 3.68Å; E258-I272 WeakPolarHBondContact OE1-CA 3.49Å; I272-S308 CarbonylContact O-C 3.54Å; I272-S308 VanDerWaalsContact O-CA 3.25Å; I272-S308 WeakPolarHBondContact O-CA 3.2Å; I272-E309 HydrophobicContact CB-CB 4.47Å; I272-E309 HydrophobicContact CG2-CB 3.97Å; I272-E309 PolarHBondContact O-N 3.39Å
273	L	98.5	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-90.3	157.1	-171.7	-60.3	177.7	0	0	0	110.6	R240 A254 L257 E258 P271 P275 F306 V307 Y331	R240-L273 PolarHBondContact NH1-O 2.92Å; R240-L273 VanDerWaalsContact NH1-O 3.12Å; A254-L273 HydrophobicContact CB-CB 4.03Å; L257-L273 HydrophobicContact CB-CD1 3.83Å; L257-L273 HydrophobicContact CD2-CD1 3.68Å; L257-L273 HydrophobicContact CG-CD1 3.73Å; E258-L273 HydrophobicContact CG-CB 4.19Å; E258-L273 HydrophobicContact CG-CD1 3.95Å; E258-L273 HydrophobicContact CG-CG 3.75Å; E258-L273 PolarHBondContact OE1-N 2.92Å; P271-L273 HydrophobicContact CB-CD2 3.93Å; P271-L273 HydrophobicContact CB-CG 4.43Å; P271-L273 HydrophobicContact CG-CD2 4.43Å; L273-P275 VanDerWaalsContact O-CD 3.27Å; L273-P275 WeakPolarHBondContact O-CD 3.14Å; L273-F306 HydrophobicContact CB-CB 4.4Å; L273-F306 HydrophobicContact CD1-CB 3.82Å; L273-F306 HydrophobicContact CD1-CD1 4.34Å; L273-F306 HydrophobicContact CD1-CG 4.13Å; L273-F306 HydrophobicContact CD2-CB 3.98Å; L273-F306 HydrophobicContact CG-CB 4.29Å; L273-V307 CarbonylContact C-O 3.59Å; L273-V307 WeakPolarHBondContact CA-O 3.38Å; L273-Y331 HydrophobicContact CD2-CD2 3.45Å; L273-Y331 VanDerWaalsContact CD2-CD2 3.45Å; L273-Y331 HydrophobicContact CD2-CE2 4.1Å; L273-Y331 HydrophobicContact CD2-CG 4.03Å
274	S	98	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.			trans	-93.2	110.2	-179	173.9	0	0	0	0	111.8	Q276 A277 V307 E309 D312	S274-Q276 PolarHBondContact O-N 3.25Å; S274-Q276 PolarHBondContact OG-N 3.48Å; S274-A277 WeakPolarHBondContact OG-CB 3.38Å; S274-A277 PolarHBondContact OG-N 3.45Å; S274-V307 PolarHBondContact N-O 2.96Å; S274-E309 WeakPolarHBondContact CA-OE2 3.45Å; S274-D312 WeakPolarHBondContact CB-O 3.45Å; S274-D312 PolarHBondContact OG-O 2.93Å
275	P	98	Very high	96	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-26.3	165.8	-18.8	33.8	0	0	0	112	A250 F251 L273 V278 V279 E309 Y314	A250-P275 HydrophobicContact CB-CB 3.93Å; F251-P275 HydrophobicContact CD1-CG 3.97Å; F251-P275 HydrophobicContact CD2-CB 3.9Å; F251-P275 HydrophobicContact CD2-CG 4.13Å; F251-P275 HydrophobicContact CE1-CG 3.88Å; F251-P275 HydrophobicContact CE2-CB 3.81Å; F251-P275 HydrophobicContact CE2-CG 4.04Å; F251-P275 HydrophobicContact CG-CB 4.32Å; F251-P275 HydrophobicContact CG-CG 4.1Å; F251-P275 HydrophobicContact CZ-CB 4.16Å; F251-P275 HydrophobicContact CZ-CG 3.92Å; L273-P275 VanDerWaalsContact O-CD 3.27Å; L273-P275 WeakPolarHBondContact O-CD 3.14Å; P275-V278 WeakPolarHBondContact O-CB 3.31Å; P275-V278 PolarHBondContact O-N 3.19Å; P275-V279 WeakPolarHBondContact O-CG2 3.37Å; P275-V279 PolarHBondContact O-N 2.9Å; P275-E309 WeakPolarHBondContact CD-OE2 3.4Å; P275-Y314 HydrophobicContact CB-CD2 4.09Å; P275-Y314 HydrophobicContact CB-CE2 4.3Å
276	Q	97.6	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-45.3	-179.7	-166.3	56.4	47.5	0	0	111.9	S274 V278 V279 D280 D312 Y314 T315 G316 E317	S274-Q276 PolarHBondContact O-N 3.25Å; S274-Q276 PolarHBondContact OG-N 3.48Å; Q276-V278 PolarHBondContact O-N 2.84Å; Q276-V279 WeakPolarHBondContact O-CA 3.49Å; Q276-V279 WeakPolarHBondContact O-CB 3.15Å; Q276-V279 PolarHBondContact O-N 3.43Å; Q276-D280 PolarHBondContact NE2-OD2 3.31Å; Q276-D280 PolarHBondContact O-N 2.79Å; Q276-D312 WeakPolarHBondContact CB-O 3.38Å; Q276-Y314 HydrophobicContact CB-CD2 4.19Å; Q276-T315 VanDerWaalsContact CD-OG1 3.23Å; Q276-T315 PolarHBondContact NE2-OG1 2.61Å; Q276-T315 PolarHBondContact OE1-OG1 2.83Å; Q276-T315 VanDerWaalsContact OE1-OG1 3.05Å; Q276-G316 VanDerWaalsContact OE1-N 3.13Å; Q276-E317 PolarHBondContact NE2-O 2.97Å
277	A	97	Very high	95.3	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-33.4	175.6	0	0	0	0	0	111.7	S274 C281 V307 D312 V324	S274-A277 WeakPolarHBondContact OG-CB 3.38Å; S274-A277 PolarHBondContact OG-N 3.45Å; A277-C281 WeakPolarHBondContact O-CA 3.25Å; A277-C281 WeakPolarHBondContact O-CB 3.49Å; A277-C281 PolarHBondContact O-N 3.13Å; A277-C281 PolarHBondContact O-SG 3.16Å; A277-C281 VanDerWaalsContact O-SG 3.39Å; A277-V307 HydrophobicContact CB-CG2 3.43Å; A277-V307 VanDerWaalsContact CB-CG2 3.43Å; A277-D312 WeakPolarHBondContact CA-OD2 3.36Å; A277-D312 HydrophobicContact CB-CB 4.14Å; A277-D312 PolarHBondContact N-OD2 2.81Å; A277-V324 HydrophobicContact CB-CG2 3.67Å
278	V	97.3	Very high	95	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.8	-49.7	172.6	-178.8	0	0	0	0	110.3	Y249 A250 P275 Q276 D280 S282 I296 Y300 F306	Y249-V278 HydrophobicContact CE2-CG1 3.87Å; A250-V278 HydrophobicContact CB-CB 3.88Å; A250-V278 HydrophobicContact CB-CG1 3.87Å; A250-V278 HydrophobicContact CB-CG2 4.43Å; P275-V278 WeakPolarHBondContact O-CB 3.31Å; P275-V278 PolarHBondContact O-N 3.19Å; Q276-V278 PolarHBondContact O-N 2.84Å; V278-D280 VanDerWaalsContact C-N 3.29Å; V278-D280 PolarHBondContact O-N 2.69Å; V278-S282 WeakPolarHBondContact O-CB 3.42Å; V278-S282 PolarHBondContact O-N 3.47Å; V278-I296 HydrophobicContact CG1-CD1 4.14Å; V278-I296 HydrophobicContact CG1-CG1 4.39Å; V278-I296 HydrophobicContact CG1-CG2 3.55Å; V278-I296 HydrophobicContact CG2-CG2 4.4Å; V278-Y300 HydrophobicContact CG2-CD1 4.43Å; V278-Y300 HydrophobicContact CG2-CE1 3.88Å; V278-F306 HydrophobicContact CG2-CD1 3.82Å; V278-F306 HydrophobicContact CG2-CE1 3.56Å; V278-F306 HydrophobicContact CG2-CZ 4.45Å
279	V	95.7	Very high	94.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54	-45.8	179.3	167.3	0	0	0	0	111.4	P275 Q276 G287	P275-V279 WeakPolarHBondContact O-CG2 3.37Å; P275-V279 PolarHBondContact O-N 2.9Å; Q276-V279 WeakPolarHBondContact O-CA 3.49Å; Q276-V279 WeakPolarHBondContact O-CB 3.15Å; Q276-V279 PolarHBondContact O-N 3.43Å; V279-G287 WeakPolarHBondContact O-CA 3.33Å
280	D	94.7	Very high	94.1	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-86.9	-29.7	-174.3	-74.8	-40.5	0	0	0	114.4	Q276 V278 T319	Q276-D280 PolarHBondContact NE2-OD2 3.31Å; Q276-D280 PolarHBondContact O-N 2.79Å; V278-D280 VanDerWaalsContact C-N 3.29Å; V278-D280 PolarHBondContact O-N 2.69Å; D280-T319 WeakPolarHBondContact OD1-CB 3.42Å; D280-T319 PolarHBondContact OD1-N 3.32Å; D280-T319 PolarHBondContact OD1-OG1 3.05Å; D280-T319 PolarHBondContact OD2-OG1 2.8Å
281	C	94.2	Very high	93.8	Very high	6 Å²	6	9.8 Å²	9.8	4%	0.041	6%	0.057	C	C	.	.	H	α-helix	trans	-111.6	-21	-170.1	-54.8	0	0	0	0	115	A277 P283 C322	A277-C281 WeakPolarHBondContact O-CA 3.25Å; A277-C281 WeakPolarHBondContact O-CB 3.49Å; A277-C281 PolarHBondContact O-N 3.13Å; A277-C281 PolarHBondContact O-SG 3.16Å; A277-C281 VanDerWaalsContact O-SG 3.39Å; C281-P283 VanDerWaalsContact O-CD 3.28Å; C281-P283 WeakPolarHBondContact O-CD 3.47Å; C281-C322 HydrophobicContact CB-CB 3.75Å; C281-C322 WeakPolarHBondContact CB-SG 3.29Å; C281-C322 WeakPolarHBondContact SG-CA 3.47Å; C281-C322 WeakPolarHBondContact SG-CB 3.33Å; C281-C322 CovalentContact SG-SG 2.03Å; C281-C322 PolarHBondContact SG-SG 3.4Å
282	S	93.8	Very high	93.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.			trans	-70.2	118.3	-173.9	170.9	0	0	0	0	110.6	F17 V278 Y284 S285 I296	F17-S282 WeakPolarHBondContact CD1-O 3.37Å; V278-S282 WeakPolarHBondContact O-CB 3.42Å; V278-S282 PolarHBondContact O-N 3.47Å; S282-Y284 PolarHBondContact O-N 3.27Å; S282-Y284 PolarHBondContact OG-N 2.94Å; S282-S285 VanDerWaalsContact CB-OG 3.24Å; S282-S285 WeakPolarHBondContact CB-OG 3.24Å; S282-S285 PolarHBondContact OG-OG 2.8Å; S282-S285 VanDerWaalsContact OG-OG 3.12Å; S282-I296 WeakPolarHBondContact OG-CD1 3.47Å
283	P	90.3	Very high	93.6	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.9	170.8	30.6	-31.8	0	0	0	111.9	L15 T18 C281 F304	L15-P283 HydrophobicContact CB-CB 4.36Å; L15-P283 HydrophobicContact CD1-CB 3.94Å; L15-P283 HydrophobicContact CD1-CG 3.91Å; L15-P283 HydrophobicContact CD2-CB 4.19Å; L15-P283 HydrophobicContact CG-CB 4.38Å; T18-P283 CarbonylContact C-O 3.52Å; T18-P283 VanDerWaalsContact CA-O 3.22Å; T18-P283 WeakPolarHBondContact CA-O 3.49Å; T18-P283 VanDerWaalsContact CB-O 3.3Å; T18-P283 WeakPolarHBondContact CB-O 3.47Å; T18-P283 PolarHBondContact N-O 3.07Å; T18-P283 PolarHBondContact OG1-O 2.85Å; C281-P283 VanDerWaalsContact O-CD 3.28Å; C281-P283 WeakPolarHBondContact O-CD 3.47Å; P283-F304 HydrophobicContact CG-CD2 4.42Å; P283-F304 HydrophobicContact CG-CE2 3.45Å; P283-F304 VanDerWaalsContact CG-CE2 3.45Å; P283-F304 HydrophobicContact CG-CZ 3.76Å
284	Y	92.1	Very high	93.5	Very high	3 Å²	3	8 Å²	8	1%	0.012	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	22.3	-173.6	-51.1	-42.4	0	0	0	113.2	T18 A20 L94 S282 L295 K299 D303 F304	T18-Y284 WeakPolarHBondContact OG1-CD1 3.4Å; A20-Y284 VanDerWaalsContact CB-O 3.31Å; A20-Y284 WeakPolarHBondContact CB-O 3.37Å; L94-Y284 HydrophobicContact CD2-CD1 3.65Å; L94-Y284 HydrophobicContact CD2-CE1 3.82Å; L94-Y284 HydrophobicContact CD2-CG 4.33Å; S282-Y284 PolarHBondContact O-N 3.27Å; S282-Y284 PolarHBondContact OG-N 2.94Å; Y284-L295 WeakPolarHBondContact O-CD1 3.11Å; Y284-K299 HydrophobicContact CD2-CB 4.3Å; Y284-K299 HydrophobicContact CD2-CD 4.08Å; Y284-K299 HydrophobicContact CD2-CG 3.96Å; Y284-K299 HydrophobicContact CE1-CD 4.46Å; Y284-K299 HydrophobicContact CE2-CB 4.43Å; Y284-K299 HydrophobicContact CE2-CD 3.82Å; Y284-K299 HydrophobicContact CE2-CG 3.65Å; Y284-K299 VanDerWaalsContact CZ-CE 3.42Å; Y284-D303 HydrophobicContact CE2-CB 4.33Å; Y284-D303 WeakPolarHBondContact CE2-OD2 3.41Å; Y284-D303 PolarHBondContact OH-OD2 2.79Å; Y284-F304 HydrophobicContact CD2-CE2 4.22Å; Y284-F304 HydrophobicContact CE2-CD2 4.12Å; Y284-F304 AromaticContact CE2-CE2 3.45Å; Y284-F304 HydrophobicContact CE2-CE2 3.45Å; Y284-F304 VanDerWaalsContact CE2-CE2 3.45Å; Y284-F304 HydrophobicContact CE2-CZ 4.41Å; Y284-F304 AromaticContact CZ-CE2 3.72Å
285	S	90.4	Very high	93.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-151.2	173.9	177.6	50.6	0	0	0	0	111.3	Y249 S282	Y249-S285 VanDerWaalsContact CE2-CB 3.49Å; Y249-S285 WeakPolarHBondContact OH-CB 3.45Å; Y249-S285 PolarHBondContact OH-OG 3.26Å; S282-S285 VanDerWaalsContact CB-OG 3.24Å; S282-S285 WeakPolarHBondContact CB-OG 3.24Å; S282-S285 PolarHBondContact OG-OG 2.8Å; S282-S285 VanDerWaalsContact OG-OG 3.12Å
286	E	87.1	Confident	93.4	Very high	18 Å²	18	8 Å²	8	8%	0.084	5%	0.047	C	C	.	.			trans	-111.7	36.6	-178.7	-60.8	-173.1	-153.1	0	0	112.9	C19 A20 D21 T22 K194 C288 N289 G290	C19-E286 HydrophobicContact CB-CG 3.81Å; C19-E286 WeakPolarHBondContact CB-OE1 3.02Å; A20-E286 PolarHBondContact N-OE1 3.22Å; D21-E286 WeakPolarHBondContact CA-OE1 3.24Å; D21-E286 PolarHBondContact N-OE1 2.88Å; T22-E286 PolarHBondContact N-OE1 3.13Å; K194-E286 IonicContact NZ-OE2 2.8Å; K194-E286 PolarHBondContact NZ-OE2 2.94Å; E286-C288 PolarHBondContact O-N 3.22Å; E286-C288 VanDerWaalsContact O-N 3.16Å; E286-N289 HydrophobicContact CB-CB 3.9Å; E286-N289 WeakPolarHBondContact O-CB 3.36Å; E286-N289 PolarHBondContact O-N 2.77Å; E286-N289 PolarHBondContact O-ND2 3.29Å; E286-G290 PolarHBondContact N-O 3.01Å
287	G	91.7	Very high	93.4	Very high	2 Å²	2	8 Å²	8	2%	0.021	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	55.4	-121.5	-177.5	0	0	0	0	0	111	Y249 V279 N289	Y249-G287 WeakPolarHBondContact CE1-O 3.44Å; Y249-G287 PolarHBondContact OH-O 2.95Å; V279-G287 WeakPolarHBondContact O-CA 3.33Å; G287-N289 PolarHBondContact O-N 3.08Å
288	C	91.8	Very high	93.5	Very high	14 Å²	14	8 Å²	8	10%	0.095	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-76	1.1	177.7	-72.8	0	0	0	0	115.3	N188 C245 G246 E286 G316	N188-C288 PolarHBondContact ND2-O 3.3Å; N188-C288 PolarHBondContact OD1-O 2.97Å; C245-C288 HydrophobicContact CB-CB 3.95Å; C245-C288 WeakPolarHBondContact CB-SG 3.23Å; C245-C288 WeakPolarHBondContact SG-CA 3.18Å; C245-C288 WeakPolarHBondContact SG-CB 3.31Å; C245-C288 CovalentContact SG-SG 2.04Å; C245-C288 PolarHBondContact SG-SG 3.3Å; G246-C288 VanDerWaalsContact CA-O 3.29Å; G246-C288 WeakPolarHBondContact CA-O 3.23Å; G246-C288 PolarHBondContact N-O 2.75Å; E286-C288 PolarHBondContact O-N 3.22Å; E286-C288 VanDerWaalsContact O-N 3.16Å; C288-G316 PolarHBondContact SG-O 3.38Å
289	N	87.1	Confident	93.5	Very high	73 Å²	73	8.1 Å²	8.1	39%	0.39	5%	0.047	S	C	.	.	G	3₁₀ helix	trans	-102.3	9.5	-179.8	-53.4	-79.9	0	0	0	113.7	E286 G287	E286-N289 HydrophobicContact CB-CB 3.9Å; E286-N289 WeakPolarHBondContact O-CB 3.36Å; E286-N289 PolarHBondContact O-N 2.77Å; E286-N289 PolarHBondContact O-ND2 3.29Å; G287-N289 PolarHBondContact O-N 3.08Å
290	G	89	Confident	93.5	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.01	5%	0.048	C	C	.	.			trans	118.4	170.5	172.4	0	0	0	0	0	115.6	Y249 E286	Y249-G290 WeakPolarHBondContact CE1-O 3.5Å; E286-G290 PolarHBondContact N-O 3.01Å
291	G	91.2	Very high	93.7	Very high	12 Å²	12	8.1 Å²	8.1	12%	0.124	5%	0.047	C	C	.	.			trans	173.9	174.1	-174	0	0	0	0	0	111.4	Y249	Y249-G291 VanDerWaalsContact CB-C 3.48Å; Y249-G291 VanDerWaalsContact CB-O 3.31Å; Y249-G291 WeakPolarHBondContact CB-O 3.27Å; Y249-G291 VanDerWaalsContact CD1-CA 3.49Å
292	F	93.4	Very high	93.8	Very high	18 Å²	18	8.3 Å²	8.3	8%	0.079	5%	0.047	C	C	.	.			trans	-125.9	136.7	-176.1	-66.2	-85	0	0	0	111.8	A20 Y80 Q82 F294 L295 I296	A20-F292 HydrophobicContact CB-CD2 4.1Å; A20-F292 HydrophobicContact CB-CE2 4.42Å; A20-F292 VanDerWaalsContact O-CE2 3.31Å; A20-F292 WeakPolarHBondContact O-CE2 3.23Å; Y80-F292 HydrophobicContact CD1-CD1 4.46Å; Y80-F292 AromaticContact CD1-CE1 3.35Å; Y80-F292 HydrophobicContact CD1-CE1 3.35Å; Y80-F292 AromaticContact CD1-CZ 3.54Å; Y80-F292 HydrophobicContact CD1-CZ 3.54Å; Y80-F292 HydrophobicContact CE1-CE1 4.15Å; Y80-F292 HydrophobicContact CE1-CZ 4.33Å; Y80-F292 AromaticContact CG-CE1 3.88Å; Y80-F292 HydrophobicContact CG-CE1 3.88Å; Y80-F292 HydrophobicContact CG-CZ 4.35Å; Q82-F292 HydrophobicContact CG-CD2 4.46Å; Q82-F292 HydrophobicContact CG-CE2 3.64Å; Q82-F292 HydrophobicContact CG-CZ 3.97Å; F292-F294 PolarHBondContact O-N 2.87Å; F292-L295 HydrophobicContact CB-CD1 4.5Å; F292-L295 HydrophobicContact CD2-CD1 4.44Å; F292-L295 PolarHBondContact O-N 2.89Å; F292-I296 WeakPolarHBondContact O-CG1 3.33Å; F292-I296 PolarHBondContact O-N 3.41Å
293	P	96.2	Very high	93.9	Very high	12 Å²	12	9 Å²	9	8%	0.078	5%	0.051	C	C	.	.	H	α-helix	trans	-56.5	-32	175.9	-27.4	35.4	0	0	0	114.4	L295 I296 A297 G298 P362 A400 V449	P293-L295 VanDerWaalsContact C-N 3.3Å; P293-L295 PolarHBondContact O-N 3.07Å; P293-I296 PolarHBondContact O-N 3.05Å; P293-I296 VanDerWaalsContact O-N 3.17Å; P293-A297 WeakPolarHBondContact O-CA 3.48Å; P293-A297 VanDerWaalsContact O-CB 3.27Å; P293-A297 WeakPolarHBondContact O-CB 3.49Å; P293-A297 PolarHBondContact O-N 3.06Å; P293-G298 PolarHBondContact O-N 2.87Å; P293-P362 HydrophobicContact CB-CB 3.66Å; P293-P362 HydrophobicContact CB-CG 3.59Å; P293-P362 HydrophobicContact CG-CB 3.98Å; P293-P362 HydrophobicContact CG-CG 4.45Å; P293-A400 HydrophobicContact CG-CB 3.65Å; P293-V449 HydrophobicContact CB-CG2 4.26Å
294	F	96.3	Very high	94.1	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.018	6%	0.056	C	C	.	.	I	π-helix	trans	-57.5	-44.9	174.5	-177	-84.3	0	0	0	111.6	T77 I79 E85 F292 G298 K299 Y336 Y338 V449	T77-F294 HydrophobicContact CG2-CE1 4.47Å; T77-F294 HydrophobicContact CG2-CE2 3.93Å; T77-F294 HydrophobicContact CG2-CZ 3.62Å; I79-F294 HydrophobicContact CD1-CD1 3.85Å; I79-F294 HydrophobicContact CD1-CE1 3.68Å; I79-F294 HydrophobicContact CG1-CD1 3.82Å; I79-F294 HydrophobicContact CG1-CE1 3.78Å; I79-F294 HydrophobicContact CG2-CD1 4.24Å; E85-F294 HydrophobicContact CB-CE1 4.43Å; F292-F294 PolarHBondContact O-N 2.87Å; F294-G298 WeakPolarHBondContact O-CA 3.41Å; F294-G298 PolarHBondContact O-N 3.16Å; F294-K299 PolarHBondContact O-N 2.79Å; F294-Y336 HydrophobicContact CE1-CD2 4.36Å; F294-Y336 HydrophobicContact CE1-CE2 4.03Å; F294-Y336 HydrophobicContact CE2-CD2 4.26Å; F294-Y336 HydrophobicContact CZ-CD2 4.04Å; F294-Y336 AromaticContact CZ-CE2 3.96Å; F294-Y336 HydrophobicContact CZ-CE2 3.96Å; F294-Y338 HydrophobicContact CB-CE1 4.23Å; F294-Y338 HydrophobicContact CB-CE2 4.41Å; F294-Y338 HydrophobicContact CD2-CD1 4.35Å; F294-Y338 AromaticContact CD2-CD2 3.63Å; F294-Y338 HydrophobicContact CD2-CD2 3.63Å; F294-Y338 HydrophobicContact CD2-CE1 4.14Å; F294-Y338 AromaticContact CD2-CE2 3.37Å; F294-Y338 HydrophobicContact CD2-CE2 3.37Å; F294-Y338 HydrophobicContact CD2-CG 4.12Å; F294-Y338 AromaticContact CD2-CZ 3.67Å; F294-Y338 AromaticContact CE2-CD2 3.75Å; F294-Y338 HydrophobicContact CE2-CD2 3.75Å; F294-Y338 AromaticContact CE2-CE2 3.74Å; F294-Y338 HydrophobicContact CE2-CE2 3.74Å; F294-Y338 HydrophobicContact CE2-CG 4.47Å; F294-Y338 AromaticContact CG-CE2 3.91Å; F294-Y338 HydrophobicContact CG-CE2 3.91Å; F294-Y338 AromaticContact CG-CZ 3.89Å; F294-V449 HydrophobicContact CB-CG2 4.08Å
295	L	96.6	Very high	94.4	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	6%	0.056	C	C	.	.	I	π-helix	trans	-74.9	-26.3	178.6	-69.9	176.8	0	0	0	112.7	A20 I79 L94 Y284 F292 P293 K299 Y300	A20-L295 HydrophobicContact CB-CD1 3.86Å; I79-L295 HydrophobicContact CD1-CD2 3.81Å; I79-L295 HydrophobicContact CG2-CD1 4.26Å; I79-L295 HydrophobicContact CG2-CD2 4.39Å; I79-L295 HydrophobicContact CG2-CG 4.07Å; L94-L295 HydrophobicContact CD1-CD2 3.69Å; L94-L295 HydrophobicContact CD2-CD2 4.05Å; Y284-L295 WeakPolarHBondContact O-CD1 3.11Å; F292-L295 HydrophobicContact CB-CD1 4.5Å; F292-L295 HydrophobicContact CD2-CD1 4.44Å; F292-L295 PolarHBondContact O-N 2.89Å; P293-L295 VanDerWaalsContact C-N 3.3Å; P293-L295 PolarHBondContact O-N 3.07Å; L295-K299 HydrophobicContact CD2-CD 4.44Å; L295-K299 CarbonylContact O-C 3.01Å; L295-K299 WeakPolarHBondContact O-CB 3.4Å; L295-K299 PolarHBondContact O-N 3.17Å; L295-Y300 WeakPolarHBondContact O-CB 3.22Å; L295-Y300 PolarHBondContact O-N 3.01Å
296	I	97.9	Very high	94.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-103.5	-56.1	-169.8	-61.1	-52.7	0	0	0	112.9	Y249 V278 S282 F292 P293 G298 Y300 G301 F306	Y249-I296 HydrophobicContact CD2-CB 4.23Å; Y249-I296 HydrophobicContact CD2-CG1 3.59Å; Y249-I296 HydrophobicContact CD2-CG2 4.29Å; Y249-I296 HydrophobicContact CE2-CD1 4.42Å; Y249-I296 HydrophobicContact CE2-CG1 3.92Å; V278-I296 HydrophobicContact CG1-CD1 4.14Å; V278-I296 HydrophobicContact CG1-CG1 4.39Å; V278-I296 HydrophobicContact CG1-CG2 3.55Å; V278-I296 HydrophobicContact CG2-CG2 4.4Å; S282-I296 WeakPolarHBondContact OG-CD1 3.47Å; F292-I296 WeakPolarHBondContact O-CG1 3.33Å; F292-I296 PolarHBondContact O-N 3.41Å; P293-I296 PolarHBondContact O-N 3.05Å; P293-I296 VanDerWaalsContact O-N 3.17Å; I296-G298 VanDerWaalsContact C-N 3.28Å; I296-G298 PolarHBondContact O-N 2.67Å; I296-Y300 HydrophobicContact CD1-CG 4.44Å; I296-G301 PolarHBondContact O-N 3.32Å; I296-F306 HydrophobicContact CG2-CE1 4.27Å; I296-F306 HydrophobicContact CG2-CZ 3.9Å; I296-F306 WeakPolarHBondContact O-CE2 3.33Å; I296-F306 WeakPolarHBondContact O-CZ 2.95Å
297	A	98.4	Very high	95.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-65.1	-36.8	173.5	0	0	0	0	0	111.6	S253 P293 T333 P362 F451	S253-A297 PolarHBondContact OG-N 3.24Å; P293-A297 WeakPolarHBondContact O-CA 3.48Å; P293-A297 VanDerWaalsContact O-CB 3.27Å; P293-A297 WeakPolarHBondContact O-CB 3.49Å; P293-A297 PolarHBondContact O-N 3.06Å; A297-T333 WeakPolarHBondContact O-CB 3.22Å; A297-T333 WeakPolarHBondContact O-CG2 3.19Å; A297-T333 PolarHBondContact O-OG1 2.91Å; A297-P362 HydrophobicContact CB-CG 4.19Å; A297-F451 HydrophobicContact CB-CD1 3.71Å; A297-F451 HydrophobicContact CB-CE1 3.51Å; A297-F451 HydrophobicContact CB-CZ 4.24Å
298	G	97.7	Very high	95.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-84.6	-91.1	174.7	0	0	0	0	0	111.7	P293 F294 I296 Y300 G301 E302 T333 Y336	P293-G298 PolarHBondContact O-N 2.87Å; F294-G298 WeakPolarHBondContact O-CA 3.41Å; F294-G298 PolarHBondContact O-N 3.16Å; I296-G298 VanDerWaalsContact C-N 3.28Å; I296-G298 PolarHBondContact O-N 2.67Å; G298-Y300 PolarHBondContact O-N 3.17Å; G298-G301 CarbonylContact O-C 3.49Å; G298-G301 WeakPolarHBondContact O-CA 3.49Å; G298-G301 PolarHBondContact O-N 2.77Å; G298-G301 VanDerWaalsContact O-N 3.09Å; G298-E302 PolarHBondContact O-N 2.85Å; G298-T333 PolarHBondContact O-OG1 3.14Å; G298-T333 VanDerWaalsContact O-OG1 3.09Å; G298-Y336 VanDerWaalsContact C-CD1 3.47Å; G298-Y336 VanDerWaalsContact CA-CD1 3.47Å
299	K	97	Very high	95.8	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.009	6%	0.062	C	C	.	.	I	π-helix	trans	-59.1	-48	-164.8	-169.7	176.6	174.4	48.2	0	115.5	L94 H116 Y284 F294 L295 G301 E302 D303 Y336	L94-K299 HydrophobicContact CB-CD 3.96Å; L94-K299 VanDerWaalsContact CB-CE 3.5Å; L94-K299 HydrophobicContact CD1-CD 4.31Å; L94-K299 HydrophobicContact CD2-CD 3.59Å; L94-K299 HydrophobicContact CG-CD 4.13Å; H116-K299 PolarHBondContact NE2-NZ 3.05Å; Y284-K299 HydrophobicContact CD2-CB 4.3Å; Y284-K299 HydrophobicContact CD2-CD 4.08Å; Y284-K299 HydrophobicContact CD2-CG 3.96Å; Y284-K299 HydrophobicContact CE1-CD 4.46Å; Y284-K299 HydrophobicContact CE2-CB 4.43Å; Y284-K299 HydrophobicContact CE2-CD 3.82Å; Y284-K299 HydrophobicContact CE2-CG 3.65Å; Y284-K299 VanDerWaalsContact CZ-CE 3.42Å; F294-K299 PolarHBondContact O-N 2.79Å; L295-K299 HydrophobicContact CD2-CD 4.44Å; L295-K299 CarbonylContact O-C 3.01Å; L295-K299 WeakPolarHBondContact O-CB 3.4Å; L295-K299 PolarHBondContact O-N 3.17Å; K299-G301 VanDerWaalsContact C-N 3.34Å; K299-E302 PolarHBondContact O-N 3.23Å; K299-D303 VanDerWaalsContact CE-OD2 3.31Å; K299-D303 WeakPolarHBondContact CE-OD2 3.39Å; K299-D303 WeakPolarHBondContact CG-OD2 3.15Å; K299-D303 IonicContact NZ-OD2 3.18Å; K299-D303 PolarHBondContact NZ-OD2 3.39Å; K299-D303 WeakPolarHBondContact O-CB 3.27Å; K299-D303 PolarHBondContact O-N 3.49Å; K299-Y336 HydrophobicContact CB-CE2 4.18Å
300	Y	97.2	Very high	96.2	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.012	8%	0.078	C	C	.	.	I	π-helix	trans	-64.7	-41.2	176	171.8	-87.4	0	0	0	111	V278 L295 I296 G298 E302 D303 F304 G305 F306	V278-Y300 HydrophobicContact CG2-CD1 4.43Å; V278-Y300 HydrophobicContact CG2-CE1 3.88Å; L295-Y300 WeakPolarHBondContact O-CB 3.22Å; L295-Y300 PolarHBondContact O-N 3.01Å; I296-Y300 HydrophobicContact CD1-CG 4.44Å; G298-Y300 PolarHBondContact O-N 3.17Å; Y300-E302 VanDerWaalsContact C-N 3.27Å; Y300-E302 PolarHBondContact O-N 3.15Å; Y300-D303 PolarHBondContact O-N 2.9Å; Y300-F304 HydrophobicContact CD2-CB 4.1Å; Y300-F304 AromaticContact CD2-CD2 3.54Å; Y300-F304 HydrophobicContact CD2-CD2 3.54Å; Y300-F304 HydrophobicContact CD2-CE2 4.45Å; Y300-F304 HydrophobicContact CD2-CG 4.23Å; Y300-F304 HydrophobicContact CE2-CB 3.93Å; Y300-F304 HydrophobicContact CE2-CD2 4.01Å; Y300-F304 HydrophobicContact CE2-CG 4.3Å; Y300-F304 HydrophobicContact CG-CD2 4.24Å; Y300-F304 CarbonylContact O-C 3.44Å; Y300-F304 WeakPolarHBondContact O-CA 3.37Å; Y300-F304 PolarHBondContact O-N 2.78Å; Y300-G305 WeakPolarHBondContact CE1-O 2.99Å; Y300-G305 PolarHBondContact O-N 2.62Å; Y300-F306 HydrophobicContact CD1-CD2 4.37Å; Y300-F306 HydrophobicContact CD1-CE2 4.01Å; Y300-F306 HydrophobicContact CD1-CZ 4.1Å; Y300-F306 HydrophobicContact CE1-CD1 4.47Å; Y300-F306 HydrophobicContact CE1-CD2 4.39Å; Y300-F306 HydrophobicContact CE1-CE2 4.42Å; Y300-F306 HydrophobicContact CE1-CG 4.4Å; Y300-F306 HydrophobicContact CE1-CZ 4.49Å
301	G	98.2	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.9	-38.3	175	0	0	0	0	0	112.6	I296 G298 K299 G305 Y332 T333	I296-G301 PolarHBondContact O-N 3.32Å; G298-G301 CarbonylContact O-C 3.49Å; G298-G301 WeakPolarHBondContact O-CA 3.49Å; G298-G301 PolarHBondContact O-N 2.77Å; G298-G301 VanDerWaalsContact O-N 3.09Å; K299-G301 VanDerWaalsContact C-N 3.34Å; G301-G305 VanDerWaalsContact O-CA 3.29Å; G301-G305 WeakPolarHBondContact O-CA 3.41Å; G301-G305 PolarHBondContact O-N 3.48Å; G301-Y332 VanDerWaalsContact O-CA 3.29Å; G301-Y332 WeakPolarHBondContact O-CA 3.47Å; G301-Y332 WeakPolarHBondContact O-CD1 3.5Å; G301-T333 VanDerWaalsContact CA-OG1 3.31Å; G301-T333 WeakPolarHBondContact CA-OG1 3.19Å; G301-T333 PolarHBondContact O-N 3.38Å
302	E	97.3	Very high	96.8	Very high	11 Å²	11	16.1 Å²	16.1	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-72	-53.8	174.4	-177.9	178.6	-101.5	0	0	111.6	K92 I120 G298 K299 Y300 Y332 T333 Y336	K92-E302 IonicContact NZ-OE1 2.71Å; K92-E302 PolarHBondContact NZ-OE1 3.48Å; K92-E302 IonicContact NZ-OE2 3.95Å; K92-E302 PolarHBondContact NZ-OE2 3.29Å; I120-E302 HydrophobicContact CD1-CG 3.55Å; I120-E302 VanDerWaalsContact CD1-O 3.24Å; I120-E302 WeakPolarHBondContact CD1-O 3.31Å; I120-E302 HydrophobicContact CG1-CG 4.23Å; G298-E302 PolarHBondContact O-N 2.85Å; K299-E302 PolarHBondContact O-N 3.23Å; Y300-E302 VanDerWaalsContact C-N 3.27Å; Y300-E302 PolarHBondContact O-N 3.15Å; E302-Y332 WeakPolarHBondContact O-CD1 3.13Å; E302-T333 WeakPolarHBondContact CA-O 3.44Å; E302-T333 WeakPolarHBondContact CB-O 3.49Å; E302-T333 PolarHBondContact N-OG1 3.12Å; E302-Y336 HydrophobicContact CB-CD1 4.3Å; E302-Y336 HydrophobicContact CB-CE1 3.8Å; E302-Y336 HydrophobicContact CG-CE1 4.27Å; E302-Y336 WeakPolarHBondContact OE2-CE1 3.26Å; E302-Y336 PolarHBondContact OE2-OH 2.94Å
303	D	95.5	Very high	96.9	Very high	14 Å²	14	19 Å²	19	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-75.3	-33.1	-169.6	-69.6	-21.6	0	0	0	113.3	H116 W123 Y284 K299 Y300	H116-D303 IonicContact CD2-OD1 3.29Å; H116-D303 IonicContact CE1-OD1 3.74Å; H116-D303 PolarHBondContact CE1-OD1 2.75Å; H116-D303 VanDerWaalsContact CE1-OD1 3.22Å; H116-D303 IonicContact NE2-OD1 3.62Å; H116-D303 PolarHBondContact NE2-OD1 3.12Å; H116-D303 VanDerWaalsContact NE2-OD1 3.09Å; H116-D303 IonicContact NE2-OD2 3.2Å; W123-D303 HydrophobicContact CH2-CB 4.24Å; Y284-D303 HydrophobicContact CE2-CB 4.33Å; Y284-D303 WeakPolarHBondContact CE2-OD2 3.41Å; Y284-D303 PolarHBondContact OH-OD2 2.79Å; K299-D303 VanDerWaalsContact CE-OD2 3.31Å; K299-D303 WeakPolarHBondContact CE-OD2 3.39Å; K299-D303 WeakPolarHBondContact CG-OD2 3.15Å; K299-D303 IonicContact NZ-OD2 3.18Å; K299-D303 PolarHBondContact NZ-OD2 3.39Å; K299-D303 WeakPolarHBondContact O-CB 3.27Å; K299-D303 PolarHBondContact O-N 3.49Å; Y300-D303 PolarHBondContact O-N 2.9Å
304	F	94.5	Very high	97	Very high	28 Å²	28	20.5 Å²	20.5	12%	0.123	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-30.2	-171.3	-53.6	-64.2	0	0	0	113.1	P283 Y284 Y300 R330 Y332	P283-F304 HydrophobicContact CG-CD2 4.42Å; P283-F304 HydrophobicContact CG-CE2 3.45Å; P283-F304 VanDerWaalsContact CG-CE2 3.45Å; P283-F304 HydrophobicContact CG-CZ 3.76Å; Y284-F304 HydrophobicContact CD2-CE2 4.22Å; Y284-F304 HydrophobicContact CE2-CD2 4.12Å; Y284-F304 AromaticContact CE2-CE2 3.45Å; Y284-F304 HydrophobicContact CE2-CE2 3.45Å; Y284-F304 VanDerWaalsContact CE2-CE2 3.45Å; Y284-F304 HydrophobicContact CE2-CZ 4.41Å; Y284-F304 AromaticContact CZ-CE2 3.72Å; Y300-F304 HydrophobicContact CD2-CB 4.1Å; Y300-F304 AromaticContact CD2-CD2 3.54Å; Y300-F304 HydrophobicContact CD2-CD2 3.54Å; Y300-F304 HydrophobicContact CD2-CE2 4.45Å; Y300-F304 HydrophobicContact CD2-CG 4.23Å; Y300-F304 HydrophobicContact CE2-CB 3.93Å; Y300-F304 HydrophobicContact CE2-CD2 4.01Å; Y300-F304 HydrophobicContact CE2-CG 4.3Å; Y300-F304 HydrophobicContact CG-CD2 4.24Å; Y300-F304 CarbonylContact O-C 3.44Å; Y300-F304 WeakPolarHBondContact O-CA 3.37Å; Y300-F304 PolarHBondContact O-N 2.78Å; F304-R330 VanDerWaalsContact O-CD 3.26Å; F304-R330 WeakPolarHBondContact O-CD 3.42Å; F304-R330 PolarHBondContact O-NH1 2.76Å; F304-Y332 VanDerWaalsContact C-CE1 3.47Å; F304-Y332 WeakPolarHBondContact O-CE1 3.34Å
305	G	97.3	Very high	97	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.			trans	70.5	160.6	-176	0	0	0	0	0	113.8	Y300 G301 R330 Y331	Y300-G305 WeakPolarHBondContact CE1-O 2.99Å; Y300-G305 PolarHBondContact O-N 2.62Å; G301-G305 VanDerWaalsContact O-CA 3.29Å; G301-G305 WeakPolarHBondContact O-CA 3.41Å; G301-G305 PolarHBondContact O-N 3.48Å; G305-R330 PolarHBondContact O-NH1 3.4Å; G305-Y331 CarbonylContact C-O 3.51Å; G305-Y331 WeakPolarHBondContact CA-O 3.47Å
306	F	98.4	Very high	96.9	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	142.1	-179.7	-70.1	-105.7	0	0	0	111	A254 L257 L273 V278 I296 Y300 R330 Y331	A254-F306 HydrophobicContact CB-CD1 4.41Å; A254-F306 HydrophobicContact CB-CE1 4.31Å; L257-F306 HydrophobicContact CD2-CB 4.15Å; L257-F306 HydrophobicContact CD2-CD2 3.4Å; L257-F306 HydrophobicContact CD2-CE2 3.97Å; L257-F306 HydrophobicContact CD2-CG 3.9Å; L273-F306 HydrophobicContact CB-CB 4.4Å; L273-F306 HydrophobicContact CD1-CB 3.82Å; L273-F306 HydrophobicContact CD1-CD1 4.34Å; L273-F306 HydrophobicContact CD1-CG 4.13Å; L273-F306 HydrophobicContact CD2-CB 3.98Å; L273-F306 HydrophobicContact CG-CB 4.29Å; V278-F306 HydrophobicContact CG2-CD1 3.82Å; V278-F306 HydrophobicContact CG2-CE1 3.56Å; V278-F306 HydrophobicContact CG2-CZ 4.45Å; I296-F306 HydrophobicContact CG2-CE1 4.27Å; I296-F306 HydrophobicContact CG2-CZ 3.9Å; I296-F306 WeakPolarHBondContact O-CE2 3.33Å; I296-F306 WeakPolarHBondContact O-CZ 2.95Å; Y300-F306 HydrophobicContact CD1-CD2 4.37Å; Y300-F306 HydrophobicContact CD1-CE2 4.01Å; Y300-F306 HydrophobicContact CD1-CZ 4.1Å; Y300-F306 HydrophobicContact CE1-CD1 4.47Å; Y300-F306 HydrophobicContact CE1-CD2 4.39Å; Y300-F306 HydrophobicContact CE1-CE2 4.42Å; Y300-F306 HydrophobicContact CE1-CG 4.4Å; Y300-F306 HydrophobicContact CE1-CZ 4.49Å; F306-R330 CarbonylContact O-C 3.41Å; F306-R330 VanDerWaalsContact O-CA 3.26Å; F306-R330 WeakPolarHBondContact O-CA 3.49Å; F306-Y331 PolarHBondContact N-O 2.99Å; F306-Y331 PolarHBondContact O-N 3.2Å
307	V	98	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	161	170	-63.4	0	0	0	0	111	L273 S274 A277 C311 V324 C328 R330	L273-V307 CarbonylContact C-O 3.59Å; L273-V307 WeakPolarHBondContact CA-O 3.38Å; S274-V307 PolarHBondContact N-O 2.96Å; A277-V307 HydrophobicContact CB-CG2 3.43Å; A277-V307 VanDerWaalsContact CB-CG2 3.43Å; V307-C311 HydrophobicContact CB-CB 4.1Å; V307-C311 HydrophobicContact CG2-CB 4.01Å; V307-V324 HydrophobicContact CB-CG1 4.32Å; V307-V324 HydrophobicContact CG1-CG1 3.72Å; V307-V324 HydrophobicContact CG2-CG1 3.93Å; V307-V324 HydrophobicContact CG2-CG2 4.29Å; V307-C328 HydrophobicContact CB-CB 4.16Å; V307-C328 HydrophobicContact CG1-CB 3.77Å; V307-R330 HydrophobicContact CG1-CG 3.68Å
308	S	97.6	Very high	96	Very high	22 Å²	22	34.6 Å²	34.6	15%	0.154	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-66.4	152.9	174.3	-62.4	0	0	0	0	112.6	I272 N310 C311	I272-S308 CarbonylContact O-C 3.54Å; I272-S308 VanDerWaalsContact O-CA 3.25Å; I272-S308 WeakPolarHBondContact O-CA 3.2Å; S308-N310 WeakPolarHBondContact CB-OD1 3.4Å; S308-N310 PolarHBondContact O-N 3.48Å; S308-N310 VanDerWaalsContact O-N 3.17Å; S308-C311 VanDerWaalsContact O-CB 3.28Å; S308-C311 WeakPolarHBondContact O-CB 3.35Å; S308-C311 PolarHBondContact O-N 3.24Å
309	E	97.4	Very high	95.4	Very high	38 Å²	38	37.7 Å²	37.7	18%	0.178	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-54.3	-33.7	178.7	-178.3	67.2	-167.9	0	0	113.3	R240 I272 S274 P275 C311 D312 P313 Y314	R240-E309 IonicContact CZ-OE1 2.77Å; R240-E309 IonicContact CZ-OE2 2.99Å; R240-E309 VanDerWaalsContact CZ-OE2 3.24Å; R240-E309 IonicContact NH1-OE2 2.72Å; R240-E309 PolarHBondContact NH1-OE2 3.39Å; R240-E309 IonicContact NH2-OE1 3.58Å; R240-E309 PolarHBondContact NH2-OE1 2.8Å; R240-E309 IonicContact NH2-OE2 3.62Å; R240-E309 PolarHBondContact NH2-OE2 2.87Å; I272-E309 HydrophobicContact CB-CB 4.47Å; I272-E309 HydrophobicContact CG2-CB 3.97Å; I272-E309 PolarHBondContact O-N 3.39Å; S274-E309 WeakPolarHBondContact CA-OE2 3.45Å; P275-E309 WeakPolarHBondContact CD-OE2 3.4Å; E309-C311 PolarHBondContact O-N 3.2Å; E309-D312 CarbonylContact O-C 3.58Å; E309-D312 VanDerWaalsContact O-C 3.26Å; E309-D312 PolarHBondContact O-N 2.99Å; E309-P313 WeakPolarHBondContact O-CA 3.46Å; E309-Y314 PolarHBondContact OE1-N 2.8Å
310	N	95.9	Very high	94.5	Very high	136 Å²	136	40 Å²	40	73%	0.727	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-69.3	-15.8	178.9	65.9	-8.2	0	0	0	114	S308	S308-N310 WeakPolarHBondContact CB-OD1 3.4Å; S308-N310 PolarHBondContact O-N 3.48Å; S308-N310 VanDerWaalsContact O-N 3.17Å
311	C	96.3	Very high	93.9	Very high	35 Å²	35	46.9 Å²	46.9	24%	0.236	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-82.2	-29.4	177.5	-79.7	0	0	0	0	113.1	V307 S308 E309 C328	V307-C311 HydrophobicContact CB-CB 4.1Å; V307-C311 HydrophobicContact CG2-CB 4.01Å; S308-C311 VanDerWaalsContact O-CB 3.28Å; S308-C311 WeakPolarHBondContact O-CB 3.35Å; S308-C311 PolarHBondContact O-N 3.24Å; E309-C311 PolarHBondContact O-N 3.2Å; C311-C328 HydrophobicContact CB-CB 3.85Å; C311-C328 WeakPolarHBondContact CB-SG 3.16Å; C311-C328 WeakPolarHBondContact SG-CB 2.99Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.31Å
312	D	95.8	Very high	93.5	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-156.8	87.8	178.6	-166.2	8.2	0	0	0	108.8	S274 Q276 A277 E309 V324	S274-D312 WeakPolarHBondContact CB-O 3.45Å; S274-D312 PolarHBondContact OG-O 2.93Å; Q276-D312 WeakPolarHBondContact CB-O 3.38Å; A277-D312 WeakPolarHBondContact CA-OD2 3.36Å; A277-D312 HydrophobicContact CB-CB 4.14Å; A277-D312 PolarHBondContact N-OD2 2.81Å; E309-D312 CarbonylContact O-C 3.58Å; E309-D312 VanDerWaalsContact O-C 3.26Å; E309-D312 PolarHBondContact O-N 2.99Å; D312-V324 HydrophobicContact CB-CG2 4.09Å
313	P	96.1	Very high	93	Very high	77 Å²	77	53.6 Å²	53.6	50%	0.5	31%	0.306	S	S	.	.			trans	-65.2	144.7	-176.2	-24.2	35.3	0	0	0	112.4	E309 T315	E309-P313 WeakPolarHBondContact O-CA 3.46Å; P313-T315 PolarHBondContact O-N 3.36Å
314	Y	97.6	Very high	92.7	Very high	45 Å²	45	54 Å²	54	18%	0.176	31%	0.309	C	S	.	.			trans	-63.5	122.4	-178.1	-167.9	-106.1	0	0	0	113.9	Q242 C245 S247 F251 P275 Q276 E309 G316	Q242-Y314 WeakPolarHBondContact CA-OH 3.27Å; Q242-Y314 PolarHBondContact O-OH 2.88Å; C245-Y314 WeakPolarHBondContact CB-OH 3.41Å; S247-Y314 PolarHBondContact OG-OH 3.5Å; F251-Y314 HydrophobicContact CE2-CD1 4.45Å; F251-Y314 HydrophobicContact CE2-CD2 4.03Å; F251-Y314 AromaticContact CE2-CE1 3.93Å; F251-Y314 HydrophobicContact CE2-CE1 3.93Å; F251-Y314 AromaticContact CE2-CE2 3.47Å; F251-Y314 HydrophobicContact CE2-CE2 3.47Å; F251-Y314 VanDerWaalsContact CE2-CE2 3.47Å; F251-Y314 HydrophobicContact CE2-CG 4.48Å; F251-Y314 AromaticContact CE2-CZ 3.4Å; F251-Y314 VanDerWaalsContact CE2-CZ 3.4Å; F251-Y314 AromaticContact CZ-CD1 3.86Å; F251-Y314 HydrophobicContact CZ-CD1 3.86Å; F251-Y314 AromaticContact CZ-CD2 3.94Å; F251-Y314 HydrophobicContact CZ-CD2 3.94Å; F251-Y314 AromaticContact CZ-CE1 3.7Å; F251-Y314 HydrophobicContact CZ-CE1 3.7Å; F251-Y314 AromaticContact CZ-CE2 3.79Å; F251-Y314 HydrophobicContact CZ-CE2 3.79Å; F251-Y314 AromaticContact CZ-CG 3.96Å; F251-Y314 HydrophobicContact CZ-CG 3.96Å; F251-Y314 AromaticContact CZ-CZ 3.66Å; P275-Y314 HydrophobicContact CB-CD2 4.09Å; P275-Y314 HydrophobicContact CB-CE2 4.3Å; Q276-Y314 HydrophobicContact CB-CD2 4.19Å; E309-Y314 PolarHBondContact OE1-N 2.8Å; Y314-G316 VanDerWaalsContact CZ-CA 3.4Å; Y314-G316 WeakPolarHBondContact OH-CA 3.46Å
315	T	95.8	Very high	92.5	Very high	82 Å²	82	55.5 Å²	55.5	50%	0.503	32%	0.323	S	S	.	.			trans	-109	-24.8	174.8	64.1	0	0	0	0	112.1	Q276 P313 E317	Q276-T315 VanDerWaalsContact CD-OG1 3.23Å; Q276-T315 PolarHBondContact NE2-OG1 2.61Å; Q276-T315 PolarHBondContact OE1-OG1 2.83Å; Q276-T315 VanDerWaalsContact OE1-OG1 3.05Å; P313-T315 PolarHBondContact O-N 3.36Å; T315-E317 VanDerWaalsContact C-N 3.29Å; T315-E317 PolarHBondContact OG1-N 3.49Å
316	G	94.4	Very high	92.1	Very high	15 Å²	15	64 Å²	64	16%	0.155	36%	0.36	C	S	.	.	S	Bend	trans	73.4	22	-176.3	0	0	0	0	0	113.5	C245 Q276 C288 Y314	C245-G316 WeakPolarHBondContact CB-O 3.4Å; Q276-G316 VanDerWaalsContact OE1-N 3.13Å; C288-G316 PolarHBondContact SG-O 3.38Å; Y314-G316 VanDerWaalsContact CZ-CA 3.4Å; Y314-G316 WeakPolarHBondContact OH-CA 3.46Å
317	E	91.6	Very high	91.8	Very high	135 Å²	135	71.1 Å²	71.1	63%	0.631	40%	0.398	S	S	*	.	S	Bend	trans	-124	146.5	176.5	-62.6	-176.3	171.5	0	0	110.1	Q276 T315 T319	Q276-E317 PolarHBondContact NE2-O 2.97Å; T315-E317 VanDerWaalsContact C-N 3.29Å; T315-E317 PolarHBondContact OG1-N 3.49Å; E317-T319 PolarHBondContact O-N 2.98Å
318	D	86.3	Confident	91.7	Very high	68 Å²	68	72 Å²	72	36%	0.364	40%	0.404	S	S	.	.			trans	-83.8	103.9	166.6	-177.4	-15	0	0	0	107.9	G320	D318-G320 PolarHBondContact O-N 3.38Å; D318-G320 WeakPolarHBondContact OD1-CA 3.49Å; D318-G320 PolarHBondContact OD1-N 2.81Å
319	T	84.4	Confident	91.5	Very high	65 Å²	65	75.4 Å²	75.4	40%	0.399	42%	0.424	S	S	.	.			trans	-77.8	-12	-176.8	71	0	0	0	0	112.1	D280 E317 K321	D280-T319 WeakPolarHBondContact OD1-CB 3.42Å; D280-T319 PolarHBondContact OD1-N 3.32Å; D280-T319 PolarHBondContact OD1-OG1 3.05Å; D280-T319 PolarHBondContact OD2-OG1 2.8Å; E317-T319 PolarHBondContact O-N 2.98Å; T319-K321 PolarHBondContact O-N 3.05Å; T319-K321 PolarHBondContact OG1-N 2.84Å; T319-K321 PolarHBondContact OG1-O 3.27Å; T319-K321 VanDerWaalsContact OG1-O 3.11Å
320	G	78.8	Confident	91.5	Very high	50 Å²	50	76.2 Å²	76.2	52%	0.515	43%	0.425	S	S	.	.	S	Bend	trans	63.7	11.5	-171.3	0	0	0	0	0	114.1	D318	D318-G320 PolarHBondContact O-N 3.38Å; D318-G320 WeakPolarHBondContact OD1-CA 3.49Å; D318-G320 PolarHBondContact OD1-N 2.81Å
321	K	85.7	Confident	91.6	Very high	149 Å²	149	71.3 Å²	71.3	65%	0.648	40%	0.397	S	S	*	.			trans	-137.3	117.2	-177	-66	179.1	-173.9	171.4	0	111	T319 T323	T319-K321 PolarHBondContact O-N 3.05Å; T319-K321 PolarHBondContact OG1-N 2.84Å; T319-K321 PolarHBondContact OG1-O 3.27Å; T319-K321 VanDerWaalsContact OG1-O 3.11Å; K321-T323 HydrophobicContact CB-CG2 4.08Å; K321-T323 PolarHBondContact O-N 2.64Å; K321-T323 VanDerWaalsContact O-N 3.14Å
322	C	89.2	Confident	91.7	Very high	56 Å²	56	74 Å²	74	38%	0.378	40%	0.403	S	S	.	.			trans	-74.2	103.9	166.6	-176.3	0	0	0	0	110.3	C281	C281-C322 HydrophobicContact CB-CB 3.75Å; C281-C322 WeakPolarHBondContact CB-SG 3.29Å; C281-C322 WeakPolarHBondContact SG-CA 3.47Å; C281-C322 WeakPolarHBondContact SG-CB 3.33Å; C281-C322 CovalentContact SG-SG 2.03Å; C281-C322 PolarHBondContact SG-SG 3.4Å
323	T	85.9	Confident	91.8	Very high	96 Å²	96	73.5 Å²	73.5	59%	0.589	40%	0.4	S	S	*	.			trans	-103.3	2.9	-177.5	64.5	0	0	0	0	114.3	K321 S325	K321-T323 HydrophobicContact CB-CG2 4.08Å; K321-T323 PolarHBondContact O-N 2.64Å; K321-T323 VanDerWaalsContact O-N 3.14Å; T323-S325 PolarHBondContact O-N 2.68Å
324	V	90.5	Very high	91.9	Very high	21 Å²	21	71.9 Å²	71.9	13%	0.127	39%	0.389	C	S	.	.			trans	-56	123.3	-178.2	178.3	0	0	0	0	111.6	A277 V307 D312 C328	A277-V324 HydrophobicContact CB-CG2 3.67Å; V307-V324 HydrophobicContact CB-CG1 4.32Å; V307-V324 HydrophobicContact CG1-CG1 3.72Å; V307-V324 HydrophobicContact CG2-CG1 3.93Å; V307-V324 HydrophobicContact CG2-CG2 4.29Å; D312-V324 HydrophobicContact CB-CG2 4.09Å; V324-C328 HydrophobicContact CG1-CB 4.27Å
325	S	89.9	Confident	91.8	Very high	60 Å²	60	74.1 Å²	74.1	42%	0.42	40%	0.404	S	S	.	.			trans	-62.7	141.9	177.2	178.3	0	0	0	0	112	T323 N327 C328	T323-S325 PolarHBondContact O-N 2.68Å; S325-N327 PolarHBondContact O-N 3.4Å; S325-N327 PolarHBondContact OG-N 2.89Å; S325-C328 WeakPolarHBondContact O-CB 3.48Å; S325-C328 PolarHBondContact O-N 2.96Å
326	K	88.3	Confident	91.9	Very high	179 Å²	179	71 Å²	71	78%	0.778	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18	173.8	-65.1	-175.6	-179.1	-179.3	0	113.5	C328	K326-C328 VanDerWaalsContact C-N 3.27Å
327	N	93.3	Very high	92	Very high	150 Å²	150	71.5 Å²	71.5	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.6	-179.9	-63.7	-12.6	0	0	0	112.8	S325 T329	S325-N327 PolarHBondContact O-N 3.4Å; S325-N327 PolarHBondContact OG-N 2.89Å; N327-T329 PolarHBondContact O-N 3.42Å
328	C	95.3	Very high	92.2	Very high	19 Å²	19	65.3 Å²	65.3	13%	0.128	36%	0.355	C	S	.	.	S	Bend	trans	-73.1	125.9	176.2	-72.8	0	0	0	0	111	V307 C311 V324 S325 K326 R330	V307-C328 HydrophobicContact CB-CB 4.16Å; V307-C328 HydrophobicContact CG1-CB 3.77Å; C311-C328 HydrophobicContact CB-CB 3.85Å; C311-C328 WeakPolarHBondContact CB-SG 3.16Å; C311-C328 WeakPolarHBondContact SG-CB 2.99Å; C311-C328 CovalentContact SG-SG 2.02Å; C311-C328 PolarHBondContact SG-SG 3.31Å; V324-C328 HydrophobicContact CG1-CB 4.27Å; S325-C328 WeakPolarHBondContact O-CB 3.48Å; S325-C328 PolarHBondContact O-N 2.96Å; K326-C328 VanDerWaalsContact C-N 3.27Å; C328-R330 PolarHBondContact O-N 2.89Å
329	T	93.8	Very high	92.7	Very high	93 Å²	93	62.3 Å²	62.3	57%	0.571	34%	0.339	S	S	*	.			trans	-55.9	136.4	169.4	-55.2	0	0	0	0	109.6	N327 Y331	N327-T329 PolarHBondContact O-N 3.42Å; T329-Y331 HydrophobicContact CG2-CE2 4.23Å
330	R	96.7	Very high	93	Very high	56 Å²	56	61.1 Å²	61.1	21%	0.211	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	177.9	-76.6	175	171.7	-79.7	-5.2	110.3	F304 G305 F306 V307 C328 Y332	F304-R330 VanDerWaalsContact O-CD 3.26Å; F304-R330 WeakPolarHBondContact O-CD 3.42Å; F304-R330 PolarHBondContact O-NH1 2.76Å; G305-R330 PolarHBondContact O-NH1 3.4Å; F306-R330 CarbonylContact O-C 3.41Å; F306-R330 VanDerWaalsContact O-CA 3.26Å; F306-R330 WeakPolarHBondContact O-CA 3.49Å; V307-R330 HydrophobicContact CG1-CG 3.68Å; C328-R330 PolarHBondContact O-N 2.89Å; R330-Y332 HydrophobicContact CB-CD2 4.34Å; R330-Y332 HydrophobicContact CB-CE2 3.57Å
331	Y	98.4	Very high	93.7	Very high	33 Å²	33	59.8 Å²	59.8	13%	0.129	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.7	177.1	-68.7	-82	0	0	0	109	I261 E269 P271 L273 G305 F306 T329	I261-Y331 HydrophobicContact CD1-CD1 3.49Å; I261-Y331 VanDerWaalsContact CD1-CD1 3.49Å; I261-Y331 HydrophobicContact CD1-CE1 4.2Å; I261-Y331 HydrophobicContact CD1-CG 3.9Å; E269-Y331 VanDerWaalsContact OE2-CE1 3.23Å; E269-Y331 WeakPolarHBondContact OE2-CE1 3.49Å; E269-Y331 PolarHBondContact OE2-OH 2.71Å; P271-Y331 HydrophobicContact CB-CD2 4.27Å; P271-Y331 HydrophobicContact CB-CE1 4.25Å; P271-Y331 HydrophobicContact CB-CE2 3.68Å; P271-Y331 HydrophobicContact CG-CD1 4.4Å; P271-Y331 HydrophobicContact CG-CE1 4.04Å; P271-Y331 HydrophobicContact CG-CE2 4.29Å; L273-Y331 HydrophobicContact CD2-CD2 3.45Å; L273-Y331 VanDerWaalsContact CD2-CD2 3.45Å; L273-Y331 HydrophobicContact CD2-CE2 4.1Å; L273-Y331 HydrophobicContact CD2-CG 4.03Å; G305-Y331 CarbonylContact C-O 3.51Å; G305-Y331 WeakPolarHBondContact CA-O 3.47Å; F306-Y331 PolarHBondContact N-O 2.99Å; F306-Y331 PolarHBondContact O-N 3.2Å; T329-Y331 HydrophobicContact CG2-CE2 4.23Å
332	Y	98.2	Very high	94	Very high	92 Å²	92	54.4 Å²	54.4	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	159.3	-173.4	-64.9	-91.8	0	0	0	111.9	G301 E302 F304 R330 V454	G301-Y332 VanDerWaalsContact O-CA 3.29Å; G301-Y332 WeakPolarHBondContact O-CA 3.47Å; G301-Y332 WeakPolarHBondContact O-CD1 3.5Å; E302-Y332 WeakPolarHBondContact O-CD1 3.13Å; F304-Y332 VanDerWaalsContact C-CE1 3.47Å; F304-Y332 WeakPolarHBondContact O-CE1 3.34Å; R330-Y332 HydrophobicContact CB-CD2 4.34Å; R330-Y332 HydrophobicContact CB-CE2 3.57Å; Y332-V454 PolarHBondContact O-N 3.45Å
333	T	98.3	Very high	94.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.6	171.8	64.6	0	0	0	0	110.6	L257 A297 G298 G301 E302 F451 D452	L257-T333 HydrophobicContact CD1-CG2 3.7Å; L257-T333 HydrophobicContact CD2-CG2 3.83Å; L257-T333 HydrophobicContact CG-CG2 4.32Å; A297-T333 WeakPolarHBondContact O-CB 3.22Å; A297-T333 WeakPolarHBondContact O-CG2 3.19Å; A297-T333 PolarHBondContact O-OG1 2.91Å; G298-T333 PolarHBondContact O-OG1 3.14Å; G298-T333 VanDerWaalsContact O-OG1 3.09Å; G301-T333 VanDerWaalsContact CA-OG1 3.31Å; G301-T333 WeakPolarHBondContact CA-OG1 3.19Å; G301-T333 PolarHBondContact O-N 3.38Å; E302-T333 WeakPolarHBondContact CA-O 3.44Å; E302-T333 WeakPolarHBondContact CB-O 3.49Å; E302-T333 PolarHBondContact N-OG1 3.12Å; T333-F451 HydrophobicContact CG2-CD2 3.53Å; T333-F451 HydrophobicContact CG2-CE2 3.91Å; T333-F451 HydrophobicContact CG2-CG 4.28Å; T333-D452 CarbonylContact C-O 3.41Å; T333-D452 VanDerWaalsContact CA-O 3.31Å; T333-D452 WeakPolarHBondContact CA-O 3.44Å
334	T	97.2	Very high	94	Very high	43 Å²	43	49.4 Å²	49.4	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	171.5	175.3	-175.8	0	0	0	0	109.6	Y336 D452 V454	T334-Y336 PolarHBondContact O-N 3.36Å; T334-D452 HydrophobicContact CG2-CB 4.02Å; T334-D452 PolarHBondContact N-O 3.18Å; T334-D452 PolarHBondContact O-N 3.18Å; T334-V454 HydrophobicContact CG2-CG2 3.9Å
335	D	95.8	Very high	94	Very high	93 Å²	93	49.1 Å²	49.1	50%	0.497	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	33.1	169.1	-60.7	-53.2	0	0	0	114.3	R450	D335-R450 PolarHBondContact O-NE 2.82Å; D335-R450 PolarHBondContact O-NH2 3.13Å
336	Y	97.8	Very high	94	Very high	17 Å²	17	46.9 Å²	46.9	7%	0.067	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.5	-179.3	62.1	-91.1	0	0	0	112.8	E85 F294 G298 K299 E302 T334 R450	E85-Y336 WeakPolarHBondContact OE1-CE2 3.33Å; E85-Y336 PolarHBondContact OE1-OH 3.26Å; E85-Y336 PolarHBondContact OE2-OH 2.72Å; F294-Y336 HydrophobicContact CE1-CD2 4.36Å; F294-Y336 HydrophobicContact CE1-CE2 4.03Å; F294-Y336 HydrophobicContact CE2-CD2 4.26Å; F294-Y336 HydrophobicContact CZ-CD2 4.04Å; F294-Y336 AromaticContact CZ-CE2 3.96Å; F294-Y336 HydrophobicContact CZ-CE2 3.96Å; G298-Y336 VanDerWaalsContact C-CD1 3.47Å; G298-Y336 VanDerWaalsContact CA-CD1 3.47Å; K299-Y336 HydrophobicContact CB-CE2 4.18Å; E302-Y336 HydrophobicContact CB-CD1 4.3Å; E302-Y336 HydrophobicContact CB-CE1 3.8Å; E302-Y336 HydrophobicContact CG-CE1 4.27Å; E302-Y336 WeakPolarHBondContact OE2-CE1 3.26Å; E302-Y336 PolarHBondContact OE2-OH 2.94Å; T334-Y336 PolarHBondContact O-N 3.36Å; Y336-R450 WeakPolarHBondContact CA-O 3.48Å; Y336-R450 WeakPolarHBondContact CB-O 3.44Å
337	S	97.2	Very high	94.1	Very high	25 Å²	25	40.3 Å²	40.3	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	168.6	173.9	60.4	0	0	0	0	110.7	V449 R450	S337-V449 WeakPolarHBondContact O-CA 3.46Å; S337-R450 PolarHBondContact N-O 2.79Å; S337-R450 WeakPolarHBondContact O-CG 3.17Å; S337-R450 PolarHBondContact O-N 3.4Å; S337-R450 WeakPolarHBondContact OG-CD 3.13Å; S337-R450 VanDerWaalsContact OG-CG 3.26Å; S337-R450 WeakPolarHBondContact OG-CG 3.31Å; S337-R450 PolarHBondContact OG-NE 3.33Å
338	Y	95.8	Very high	94.2	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.1	159	-70.4	-73.7	0	0	0	109	T77 L78 F294 G340 G341 Y342 Y343 L447 G448 V449	T77-Y338 HydrophobicContact CG2-CD2 4.38Å; T77-Y338 HydrophobicContact CG2-CE2 4.45Å; L78-Y338 WeakPolarHBondContact O-CE2 3.47Å; F294-Y338 HydrophobicContact CB-CE1 4.23Å; F294-Y338 HydrophobicContact CB-CE2 4.41Å; F294-Y338 HydrophobicContact CD2-CD1 4.35Å; F294-Y338 AromaticContact CD2-CD2 3.63Å; F294-Y338 HydrophobicContact CD2-CD2 3.63Å; F294-Y338 HydrophobicContact CD2-CE1 4.14Å; F294-Y338 AromaticContact CD2-CE2 3.37Å; F294-Y338 HydrophobicContact CD2-CE2 3.37Å; F294-Y338 HydrophobicContact CD2-CG 4.12Å; F294-Y338 AromaticContact CD2-CZ 3.67Å; F294-Y338 AromaticContact CE2-CD2 3.75Å; F294-Y338 HydrophobicContact CE2-CD2 3.75Å; F294-Y338 AromaticContact CE2-CE2 3.74Å; F294-Y338 HydrophobicContact CE2-CE2 3.74Å; F294-Y338 HydrophobicContact CE2-CG 4.47Å; F294-Y338 AromaticContact CG-CE2 3.91Å; F294-Y338 HydrophobicContact CG-CE2 3.91Å; F294-Y338 AromaticContact CG-CZ 3.89Å; Y338-G340 PolarHBondContact O-N 2.82Å; Y338-G340 VanDerWaalsContact O-N 3.16Å; Y338-G341 WeakPolarHBondContact O-CA 3.43Å; Y338-G341 PolarHBondContact O-N 3.36Å; Y338-Y342 WeakPolarHBondContact CB-O 3.28Å; Y338-Y343 HydrophobicContact CE1-CD2 4.4Å; Y338-Y343 HydrophobicContact CE2-CD2 4.21Å; Y338-Y343 AromaticContact CZ-CD2 3.97Å; Y338-L447 HydrophobicContact CE1-CD2 4.31Å; Y338-G448 WeakPolarHBondContact CA-O 3.32Å; Y338-V449 HydrophobicContact CD1-CG2 4.05Å; Y338-V449 HydrophobicContact CE1-CG2 4.04Å
339	I	95.4	Very high	94.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	121.8	173.7	-69.7	173.8	0	0	0	108.1	A345 T346 L350 M351 E354 F361 G448 R450	I339-A345 CarbonylContact O-C 3.26Å; I339-T346 HydrophobicContact CB-CG2 4.02Å; I339-T346 HydrophobicContact CG2-CG2 4.22Å; I339-T346 WeakPolarHBondContact O-CA 3.11Å; I339-T346 PolarHBondContact O-N 3.39Å; I339-T346 VanDerWaalsContact O-N 3.11Å; I339-T346 PolarHBondContact O-OG1 3.33Å; I339-L350 HydrophobicContact CG2-CB 3.43Å; I339-L350 VanDerWaalsContact CG2-CB 3.43Å; I339-L350 HydrophobicContact CG2-CD1 4.47Å; I339-M351 HydrophobicContact CD1-CG 4.18Å; I339-M351 HydrophobicContact CG2-CG 4.44Å; I339-E354 HydrophobicContact CD1-CB 3.91Å; I339-E354 HydrophobicContact CD1-CG 3.73Å; I339-E354 HydrophobicContact CG1-CB 4.36Å; I339-E354 HydrophobicContact CG1-CG 4.09Å; I339-F361 HydrophobicContact CD1-CD1 4.19Å; I339-F361 HydrophobicContact CD1-CD2 3.64Å; I339-F361 HydrophobicContact CD1-CE1 3.96Å; I339-F361 HydrophobicContact CD1-CE2 3.39Å; I339-F361 HydrophobicContact CD1-CG 4.05Å; I339-F361 HydrophobicContact CD1-CZ 3.57Å; I339-G448 PolarHBondContact N-O 3.03Å; I339-R450 HydrophobicContact CG1-CB 4.18Å; I339-R450 HydrophobicContact CG1-CG 4.41Å
340	G	92	Very high	94.1	Very high	40 Å²	40	34.3 Å²	34.3	41%	0.412	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-1.3	-170.9	0	0	0	0	0	115.4	Y338 A345	Y338-G340 PolarHBondContact O-N 2.82Å; Y338-G340 VanDerWaalsContact O-N 3.16Å; G340-A345 WeakPolarHBondContact O-CB 3.48Å
341	G	93.2	Very high	94.1	Very high	22 Å²	22	31.7 Å²	31.7	23%	0.227	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	107.3	-42.6	169.5	0	0	0	0	0	113.8	H75 Y338	H75-G341 PolarHBondContact CE1-O 3.03Å; H75-G341 PolarHBondContact NE2-O 3.3Å; Y338-G341 WeakPolarHBondContact O-CA 3.43Å; Y338-G341 PolarHBondContact O-N 3.36Å
342	Y	92.6	Very high	94.1	Very high	36 Å²	36	30.4 Å²	30.4	14%	0.141	17%	0.17	C	C	.	.	S	Bend	trans	-140.3	165.2	-173.6	63.4	-89.4	0	0	0	112.7	P63 D64 Y338 G344 A345	P63-Y342 HydrophobicContact CB-CD1 4.33Å; P63-Y342 HydrophobicContact CB-CD2 4.21Å; P63-Y342 HydrophobicContact CB-CE1 3.9Å; P63-Y342 HydrophobicContact CB-CE2 3.78Å; P63-Y342 HydrophobicContact CB-CG 4.49Å; P63-Y342 HydrophobicContact CG-CD1 4.37Å; P63-Y342 HydrophobicContact CG-CE1 3.83Å; D64-Y342 HydrophobicContact CB-CD1 3.84Å; D64-Y342 HydrophobicContact CB-CG 3.87Å; D64-Y342 WeakPolarHBondContact OD2-CD1 3.23Å; Y338-Y342 WeakPolarHBondContact CB-O 3.28Å; Y342-G344 PolarHBondContact O-N 3.01Å; Y342-A345 HydrophobicContact CD1-CB 3.86Å; Y342-A345 HydrophobicContact CD2-CB 4.05Å; Y342-A345 HydrophobicContact CE1-CB 3.68Å; Y342-A345 HydrophobicContact CE2-CB 3.87Å; Y342-A345 HydrophobicContact CG-CB 4.03Å; Y342-A345 WeakPolarHBondContact O-CB 3.35Å; Y342-A345 PolarHBondContact O-N 2.72Å
343	Y	89.9	Confident	94	Very high	33 Å²	33	27.4 Å²	27.4	13%	0.129	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	122.6	177.5	175.7	-93	0	0	0	111.9	T77 L78 Y80 Y338 L447	T77-Y343 WeakPolarHBondContact OG1-CB 3.38Å; T77-Y343 PolarHBondContact OG1-N 2.89Å; L78-Y343 HydrophobicContact CB-CD1 4.1Å; L78-Y343 HydrophobicContact CB-CG 4.18Å; L78-Y343 HydrophobicContact CD2-CD1 3.93Å; L78-Y343 HydrophobicContact CD2-CE1 4.04Å; L78-Y343 VanDerWaalsContact O-CB 3.22Å; L78-Y343 WeakPolarHBondContact O-CB 3.49Å; Y80-Y343 AromaticContact CD2-CE2 3.87Å; Y80-Y343 HydrophobicContact CD2-CE2 3.87Å; Y80-Y343 AromaticContact CD2-CZ 3.97Å; Y80-Y343 WeakPolarHBondContact CD2-OH 3.46Å; Y338-Y343 HydrophobicContact CE1-CD2 4.4Å; Y338-Y343 HydrophobicContact CE2-CD2 4.21Å; Y338-Y343 AromaticContact CZ-CD2 3.97Å; Y343-L447 HydrophobicContact CD2-CD2 3.93Å; Y343-L447 HydrophobicContact CE2-CD2 3.41Å; Y343-L447 VanDerWaalsContact CE2-CD2 3.41Å
344	G	84.5	Confident	94	Very high	14 Å²	14	28.1 Å²	28.1	14%	0.144	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-4.2	-175.2	0	0	0	0	0	114.7	L203 Y342	L203-G344 VanDerWaalsContact O-O 3.06Å; Y342-G344 PolarHBondContact O-N 3.01Å
345	A	89.8	Confident	94	Very high	14 Å²	14	26.1 Å²	26.1	12%	0.116	15%	0.151	C	C	.	.			trans	-79.8	-22	175.2	0	0	0	0	0	113.8	I339 G340 Y342 N347	I339-A345 CarbonylContact O-C 3.26Å; G340-A345 WeakPolarHBondContact O-CB 3.48Å; Y342-A345 HydrophobicContact CD1-CB 3.86Å; Y342-A345 HydrophobicContact CD2-CB 4.05Å; Y342-A345 HydrophobicContact CE1-CB 3.68Å; Y342-A345 HydrophobicContact CE2-CB 3.87Å; Y342-A345 HydrophobicContact CG-CB 4.03Å; Y342-A345 WeakPolarHBondContact O-CB 3.35Å; Y342-A345 PolarHBondContact O-N 2.72Å; A345-N347 PolarHBondContact O-ND2 2.87Å
346	T	91.1	Very high	94.1	Very high	13 Å²	13	23.8 Å²	23.8	8%	0.08	14%	0.138	C	C	.	.			trans	-57.3	138.5	-177.6	-44.5	0	0	0	0	110.9	I339 M351 E445 S446	I339-T346 HydrophobicContact CB-CG2 4.02Å; I339-T346 HydrophobicContact CG2-CG2 4.22Å; I339-T346 WeakPolarHBondContact O-CA 3.11Å; I339-T346 PolarHBondContact O-N 3.39Å; I339-T346 VanDerWaalsContact O-N 3.11Å; I339-T346 PolarHBondContact O-OG1 3.33Å; T346-M351 HydrophobicContact CG2-CG 3.66Å; T346-M351 HydrophobicContact CG2-SD 3.62Å; T346-E445 CarbonylContact C-O 3.59Å; T346-E445 WeakPolarHBondContact CB-O 3.45Å; T346-E445 WeakPolarHBondContact CG2-O 3.48Å; T346-S446 WeakPolarHBondContact CB-O 3.36Å; T346-S446 PolarHBondContact OG1-O 3Å
347	N	90.5	Very high	93.9	Very high	41 Å²	41	26.9 Å²	26.9	22%	0.219	16%	0.162	C	C	.	.			trans	-153.3	168.7	171.9	62.6	71.6	0	0	0	110.6	A345 K349 L350 M351	A345-N347 PolarHBondContact O-ND2 2.87Å; N347-K349 VanDerWaalsContact C-N 3.34Å; N347-K349 PolarHBondContact O-N 2.82Å; N347-K349 PolarHBondContact OD1-N 2.9Å; N347-K349 VanDerWaalsContact OD1-N 3.09Å; N347-L350 WeakPolarHBondContact ND2-CD1 3.43Å; N347-L350 PolarHBondContact O-N 2.96Å; N347-L350 PolarHBondContact OD1-N 3.42Å; N347-L350 VanDerWaalsContact OD1-N 3.08Å; N347-M351 WeakPolarHBondContact O-CG 3.34Å; N347-M351 PolarHBondContact O-N 3.31Å
348	E	93.7	Very high	94	Very high	41 Å²	41	28.6 Å²	28.6	19%	0.192	17%	0.169	C	C	.	.	H	α-helix	trans	-46.2	-51.7	-179.5	-172.2	-160	168.8	0	0	113.6	M351 Q352 W417 R437	E348-M351 WeakPolarHBondContact O-CB 3.38Å; E348-M351 PolarHBondContact O-N 3.15Å; E348-Q352 WeakPolarHBondContact O-CG 3.48Å; E348-Q352 PolarHBondContact O-N 3.19Å; E348-W417 HydrophobicContact CB-CZ2 4.39Å; E348-W417 HydrophobicContact CG-CH2 4.48Å; E348-W417 HydrophobicContact CG-CZ2 3.79Å; E348-R437 HydrophobicContact CG-CG 3.83Å; E348-R437 IonicContact OE1-CZ 2.79Å; E348-R437 IonicContact OE1-NH1 3.24Å; E348-R437 PolarHBondContact OE1-NH1 2.76Å
349	K	93.9	Very high	94.1	Very high	56 Å²	56	28.4 Å²	28.4	24%	0.243	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-40.2	-173.8	-67.4	-52.8	-179	-170	0	112.8	P208 L212 T216 N347 M351 Q352 L353	P208-K349 HydrophobicContact CB-CG 4.4Å; P208-K349 HydrophobicContact CG-CG 3.96Å; L212-K349 HydrophobicContact CD1-CB 4.4Å; L212-K349 HydrophobicContact CD2-CB 4.04Å; L212-K349 HydrophobicContact CG-CB 4.07Å; T216-K349 HydrophobicContact CG2-CB 4Å; T216-K349 HydrophobicContact CG2-CD 4.38Å; N347-K349 VanDerWaalsContact C-N 3.34Å; N347-K349 PolarHBondContact O-N 2.82Å; N347-K349 PolarHBondContact OD1-N 2.9Å; N347-K349 VanDerWaalsContact OD1-N 3.09Å; K349-M351 VanDerWaalsContact C-N 3.32Å; K349-Q352 VanDerWaalsContact CD-OE1 3.26Å; K349-Q352 PolarHBondContact O-N 3.46Å; K349-L353 PolarHBondContact O-N 3.44Å; K349-L353 VanDerWaalsContact O-N 3.13Å
350	L	94.7	Very high	94.2	Very high	40 Å²	40	28.1 Å²	28.1	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-37.2	174.6	-66.5	175.5	0	0	0	111.7	L212 I339 N347 L353 E354	L212-L350 HydrophobicContact CD1-CD2 3.69Å; L212-L350 HydrophobicContact CD1-CG 4.42Å; L212-L350 HydrophobicContact CD2-CD2 3.9Å; L212-L350 HydrophobicContact CD2-CG 3.91Å; L212-L350 HydrophobicContact CG-CD2 4.49Å; I339-L350 HydrophobicContact CG2-CB 3.43Å; I339-L350 VanDerWaalsContact CG2-CB 3.43Å; I339-L350 HydrophobicContact CG2-CD1 4.47Å; N347-L350 WeakPolarHBondContact ND2-CD1 3.43Å; N347-L350 PolarHBondContact O-N 2.96Å; N347-L350 PolarHBondContact OD1-N 3.42Å; N347-L350 VanDerWaalsContact OD1-N 3.08Å; L350-L353 PolarHBondContact O-N 3.44Å; L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 PolarHBondContact O-N 2.79Å
351	M	96.8	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-42	175.1	-73.1	167.5	66.8	0	0	112.2	I339 T346 N347 E348 K349 L353 E354 L355 F361 V363 L403 W417 E445	I339-M351 HydrophobicContact CD1-CG 4.18Å; I339-M351 HydrophobicContact CG2-CG 4.44Å; T346-M351 HydrophobicContact CG2-CG 3.66Å; T346-M351 HydrophobicContact CG2-SD 3.62Å; N347-M351 WeakPolarHBondContact O-CG 3.34Å; N347-M351 PolarHBondContact O-N 3.31Å; E348-M351 WeakPolarHBondContact O-CB 3.38Å; E348-M351 PolarHBondContact O-N 3.15Å; K349-M351 VanDerWaalsContact C-N 3.32Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 2.78Å; M351-E354 PolarHBondContact O-N 2.92Å; M351-L355 WeakPolarHBondContact O-CB 3.25Å; M351-L355 PolarHBondContact O-N 2.8Å; M351-F361 HydrophobicContact CB-CZ 3.83Å; M351-F361 HydrophobicContact CE-CE2 4.29Å; M351-F361 HydrophobicContact CE-CZ 4.43Å; M351-F361 HydrophobicContact CG-CE2 4.19Å; M351-F361 HydrophobicContact CG-CZ 3.96Å; M351-V363 HydrophobicContact CE-CG1 4.04Å; M351-L403 HydrophobicContact CE-CD1 3.26Å; M351-W417 HydrophobicContact CB-CH2 3.72Å; M351-W417 HydrophobicContact CB-CZ2 4.04Å; M351-W417 HydrophobicContact CB-CZ3 4.49Å; M351-W417 HydrophobicContact CE-CD2 4.48Å; M351-W417 HydrophobicContact CE-CH2 4.46Å; M351-W417 HydrophobicContact CE-CZ2 4.02Å; M351-W417 HydrophobicContact SD-CZ2 4.44Å; M351-E445 HydrophobicContact CE-CB 4.45Å; M351-E445 HydrophobicContact CE-CG 4.28Å; M351-E445 VanDerWaalsContact SD-CA 3.51Å; M351-E445 HydrophobicContact SD-CB 3.76Å; M351-E445 HydrophobicContact SD-CG 4.08Å
352	Q	97.2	Very high	94.8	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-43	175	-67.4	-173.1	-74.1	0	0	111.5	L219 E348 K349 I356 Y406 W417	L219-Q352 HydrophobicContact CD1-CB 3.68Å; E348-Q352 WeakPolarHBondContact O-CG 3.48Å; E348-Q352 PolarHBondContact O-N 3.19Å; K349-Q352 VanDerWaalsContact CD-OE1 3.26Å; K349-Q352 PolarHBondContact O-N 3.46Å; Q352-I356 WeakPolarHBondContact O-CG1 3.39Å; Q352-I356 PolarHBondContact O-N 3.48Å; Q352-Y406 HydrophobicContact CB-CE1 4.06Å; Q352-Y406 HydrophobicContact CG-CD1 4.22Å; Q352-Y406 HydrophobicContact CG-CE1 3.95Å; Q352-Y406 HydrophobicContact CG-CE2 4.49Å; Q352-Y406 VanDerWaalsContact NE2-CZ 3.32Å; Q352-W417 HydrophobicContact CB-CH2 4.48Å; Q352-W417 HydrophobicContact CG-CH2 3.56Å; Q352-W417 HydrophobicContact CG-CZ2 4.48Å; Q352-W417 HydrophobicContact CG-CZ3 4.16Å
353	L	96.3	Very high	95	Very high	28 Å²	28	23.4 Å²	23.4	15%	0.147	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-52.1	176.7	-75.8	169.8	0	0	0	111.8	L212 L215 T216 L219 K349 L350 M351 L355 I356 S357	L212-L353 HydrophobicContact CD1-CD1 3.52Å; L215-L353 HydrophobicContact CD2-CD1 3.74Å; L215-L353 HydrophobicContact CD2-CD2 4.39Å; L215-L353 HydrophobicContact CG-CD1 4.24Å; L215-L353 HydrophobicContact CG-CD2 4.22Å; T216-L353 HydrophobicContact CG2-CD1 3.49Å; T216-L353 VanDerWaalsContact CG2-CD1 3.49Å; T216-L353 HydrophobicContact CG2-CD2 3.91Å; T216-L353 HydrophobicContact CG2-CG 3.51Å; L219-L353 HydrophobicContact CD1-CD2 3.99Å; L219-L353 HydrophobicContact CD1-CG 4.14Å; L219-L353 HydrophobicContact CD2-CD2 4.05Å; L219-L353 HydrophobicContact CG-CD2 4.45Å; K349-L353 PolarHBondContact O-N 3.44Å; K349-L353 VanDerWaalsContact O-N 3.13Å; L350-L353 PolarHBondContact O-N 3.44Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 2.78Å; L353-L355 VanDerWaalsContact C-N 3.26Å; L353-L355 PolarHBondContact O-N 2.82Å; L353-I356 PolarHBondContact O-N 3.18Å; L353-S357 WeakPolarHBondContact O-CB 3.44Å; L353-S357 PolarHBondContact O-N 3.09Å; L353-S357 PolarHBondContact O-OG 3.06Å
354	E	97.9	Very high	95.2	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-41.2	-179	179.6	60.9	-163.7	0	0	111.5	R260 I339 L350 M351 I356 N358 G359 F361 R450	R260-E354 IonicContact CZ-OE1 2.64Å; R260-E354 IonicContact NH1-OE1 2.8Å; R260-E354 PolarHBondContact NH1-OE1 3.16Å; R260-E354 IonicContact NH2-OE1 3.4Å; R260-E354 PolarHBondContact NH2-OE1 2.81Å; I339-E354 HydrophobicContact CD1-CB 3.91Å; I339-E354 HydrophobicContact CD1-CG 3.73Å; I339-E354 HydrophobicContact CG1-CB 4.36Å; I339-E354 HydrophobicContact CG1-CG 4.09Å; L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 PolarHBondContact O-N 2.79Å; M351-E354 PolarHBondContact O-N 2.92Å; E354-I356 PolarHBondContact O-N 2.86Å; E354-N358 PolarHBondContact O-N 2.78Å; E354-N358 WeakPolarHBondContact OE1-CB 3.3Å; E354-N358 PolarHBondContact OE1-ND2 3.37Å; E354-N358 PolarHBondContact OE2-ND2 2.75Å; E354-G359 PolarHBondContact O-N 2.83Å; E354-F361 HydrophobicContact CB-CD1 4.28Å; E354-F361 HydrophobicContact CB-CE1 3.94Å; E354-F361 HydrophobicContact CG-CD1 3.66Å; E354-F361 HydrophobicContact CG-CE1 3.84Å; E354-F361 HydrophobicContact CG-CG 4.38Å; E354-R450 HydrophobicContact CG-CB 4.27Å; E354-R450 VanDerWaalsContact OE1-CB 3.31Å; E354-R450 WeakPolarHBondContact OE1-CB 3.48Å
355	L	98.3	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-46.3	-179.4	-172.4	66.9	0	0	0	111.6	F223 W225 M351 L353 G359 F361 L403 Y406	F223-L355 HydrophobicContact CD1-CD2 4.11Å; F223-L355 HydrophobicContact CD1-CG 4.32Å; W225-L355 PolarHBondContact NE1-O 3.45Å; M351-L355 WeakPolarHBondContact O-CB 3.25Å; M351-L355 PolarHBondContact O-N 2.8Å; L353-L355 VanDerWaalsContact C-N 3.26Å; L353-L355 PolarHBondContact O-N 2.82Å; L355-G359 WeakPolarHBondContact O-CA 3.49Å; L355-G359 PolarHBondContact O-N 2.8Å; L355-G359 VanDerWaalsContact O-N 3.13Å; L355-F361 HydrophobicContact CB-CE1 3.87Å; L355-F361 HydrophobicContact CD1-CD1 4.39Å; L355-F361 HydrophobicContact CD1-CE1 4.19Å; L355-L403 HydrophobicContact CB-CD2 4.49Å; L355-L403 HydrophobicContact CD1-CD2 3.72Å; L355-L403 HydrophobicContact CD2-CD2 3.67Å; L355-L403 HydrophobicContact CG-CD2 4.16Å; L355-Y406 HydrophobicContact CD2-CD1 3.74Å; L355-Y406 HydrophobicContact CD2-CE1 4.13Å
356	I	96.7	Very high	95.7	Very high	44 Å²	44	21.9 Å²	21.9	23%	0.226	12%	0.119	C	C	.	.	H	α-helix	trans	-72.4	-42.5	-177.3	-73.5	172.5	0	0	0	111	L219 P220 F223 Q352 L353 E354 Y406	L219-I356 HydrophobicContact CB-CD1 4.32Å; L219-I356 HydrophobicContact CD2-CD1 3.82Å; L219-I356 HydrophobicContact CG-CD1 4.43Å; P220-I356 HydrophobicContact CG-CD1 3.85Å; F223-I356 HydrophobicContact CB-CD1 4.46Å; F223-I356 HydrophobicContact CB-CG1 4.41Å; F223-I356 HydrophobicContact CD1-CG1 4.02Å; F223-I356 HydrophobicContact CD2-CD1 4.27Å; F223-I356 HydrophobicContact CD2-CG1 3.85Å; F223-I356 HydrophobicContact CE1-CG1 4.28Å; F223-I356 HydrophobicContact CE2-CG1 4.1Å; F223-I356 HydrophobicContact CG-CD1 4.28Å; F223-I356 HydrophobicContact CG-CG1 3.8Å; F223-I356 HydrophobicContact CZ-CG1 4.32Å; Q352-I356 WeakPolarHBondContact O-CG1 3.39Å; Q352-I356 PolarHBondContact O-N 3.48Å; L353-I356 PolarHBondContact O-N 3.18Å; E354-I356 PolarHBondContact O-N 2.86Å; I356-Y406 HydrophobicContact CD1-CE1 4.2Å; I356-Y406 WeakPolarHBondContact CD1-OH 3.26Å; I356-Y406 HydrophobicContact CG1-CE1 4.48Å
357	S	95.5	Very high	95.7	Very high	83 Å²	83	21.2 Å²	21.2	58%	0.58	12%	0.115	S	C	*	.	H	α-helix	trans	-76.5	-39.8	-174.1	-64.5	0	0	0	0	113	L353	L353-S357 WeakPolarHBondContact O-CB 3.44Å; L353-S357 PolarHBondContact O-N 3.09Å; L353-S357 PolarHBondContact O-OG 3.06Å
358	N	97.4	Very high	95.8	Very high	60 Å²	60	22 Å²	22	32%	0.321	12%	0.115	S	C	.	.	H	α-helix	trans	-124.5	-11.2	-165.8	-62.3	-47.2	0	0	0	114.1	E354	E354-N358 PolarHBondContact O-N 2.78Å; E354-N358 WeakPolarHBondContact OE1-CB 3.3Å; E354-N358 PolarHBondContact OE1-ND2 3.37Å; E354-N358 PolarHBondContact OE2-ND2 2.75Å
359	G	98.3	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.			trans	102.6	-177.7	178.1	0	0	0	0	0	114.9	R260 E354 L355	R260-G359 PolarHBondContact NH2-O 3.05Å; E354-G359 PolarHBondContact O-N 2.83Å; L355-G359 WeakPolarHBondContact O-CA 3.49Å; L355-G359 PolarHBondContact O-N 2.8Å; L355-G359 VanDerWaalsContact O-N 3.13Å
360	P	98.8	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.			trans	-53.1	147.3	178.8	-26.8	36.8	0	0	0	113.4	W225 V236 A259 R260 L402 L403 V404	W225-P360 HydrophobicContact CB-CG 3.95Å; W225-P360 VanDerWaalsContact CD1-CD 3.44Å; W225-P360 HydrophobicContact CG-CG 3.87Å; V236-P360 HydrophobicContact CG2-CG 4.11Å; A259-P360 HydrophobicContact CB-CB 4.14Å; A259-P360 HydrophobicContact CB-CG 3.83Å; R260-P360 PolarHBondContact NE-O 3.12Å; P360-L402 HydrophobicContact CB-CD1 3.81Å; P360-L402 HydrophobicContact CB-CD2 3.97Å; P360-L402 HydrophobicContact CB-CG 3.96Å; P360-L403 VanDerWaalsContact CA-O 3.32Å; P360-L403 WeakPolarHBondContact CA-O 3.43Å; P360-L403 WeakPolarHBondContact CB-O 3.36Å; P360-V404 HydrophobicContact CB-CG1 4.28Å; P360-V404 HydrophobicContact CG-CG1 4.45Å
361	F	98.8	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.8	-179.9	56.8	-97.7	0	0	0	112.1	I339 M351 E354 L355 V363 L403 V449	I339-F361 HydrophobicContact CD1-CD1 4.19Å; I339-F361 HydrophobicContact CD1-CD2 3.64Å; I339-F361 HydrophobicContact CD1-CE1 3.96Å; I339-F361 HydrophobicContact CD1-CE2 3.39Å; I339-F361 HydrophobicContact CD1-CG 4.05Å; I339-F361 HydrophobicContact CD1-CZ 3.57Å; M351-F361 HydrophobicContact CB-CZ 3.83Å; M351-F361 HydrophobicContact CE-CE2 4.29Å; M351-F361 HydrophobicContact CE-CZ 4.43Å; M351-F361 HydrophobicContact CG-CE2 4.19Å; M351-F361 HydrophobicContact CG-CZ 3.96Å; E354-F361 HydrophobicContact CB-CD1 4.28Å; E354-F361 HydrophobicContact CB-CE1 3.94Å; E354-F361 HydrophobicContact CG-CD1 3.66Å; E354-F361 HydrophobicContact CG-CE1 3.84Å; E354-F361 HydrophobicContact CG-CG 4.38Å; L355-F361 HydrophobicContact CB-CE1 3.87Å; L355-F361 HydrophobicContact CD1-CD1 4.39Å; L355-F361 HydrophobicContact CD1-CE1 4.19Å; F361-V363 HydrophobicContact CD2-CG1 3.81Å; F361-V363 HydrophobicContact CE2-CG1 3.5Å; F361-L403 HydrophobicContact CD2-CB 4.46Å; F361-L403 HydrophobicContact CE1-CD2 4.26Å; F361-L403 HydrophobicContact CE2-CB 4.17Å; F361-L403 HydrophobicContact CE2-CD1 4.13Å; F361-L403 HydrophobicContact CZ-CB 4.42Å; F361-L403 HydrophobicContact CZ-CD1 4.13Å; F361-L403 HydrophobicContact CZ-CD2 3.97Å; F361-L403 HydrophobicContact CZ-CG 4.42Å; F361-L403 PolarHBondContact N-O 2.85Å; F361-L403 PolarHBondContact O-N 3.45Å; F361-V449 WeakPolarHBondContact CB-O 3.46Å
362	P	98.6	Very high	95.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	141.6	179.8	32.2	-32	0	0	0	110.9	A252 A256 P293 A297 V401 V449	A252-P362 HydrophobicContact CB-CB 3.83Å; A256-P362 HydrophobicContact CB-CG 4.4Å; P293-P362 HydrophobicContact CB-CB 3.66Å; P293-P362 HydrophobicContact CB-CG 3.59Å; P293-P362 HydrophobicContact CG-CB 3.98Å; P293-P362 HydrophobicContact CG-CG 4.45Å; A297-P362 HydrophobicContact CB-CG 4.19Å; P362-V401 CarbonylContact C-O 3.58Å; P362-V401 VanDerWaalsContact CA-O 3.3Å; P362-V401 WeakPolarHBondContact CA-O 3.33Å; P362-V449 HydrophobicContact CG-CB 4.19Å; P362-V449 PolarHBondContact O-N 2.84Å; P362-V449 VanDerWaalsContact O-N 3.13Å
363	V	97	Very high	95.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	157.7	171.8	-62.6	0	0	0	0	109.6	M351 F361 A400 V401 L403 V444	M351-V363 HydrophobicContact CE-CG1 4.04Å; F361-V363 HydrophobicContact CD2-CG1 3.81Å; F361-V363 HydrophobicContact CE2-CG1 3.5Å; V363-A400 WeakPolarHBondContact O-CA 3.45Å; V363-V401 HydrophobicContact CG2-CG2 3.68Å; V363-V401 PolarHBondContact N-O 3.34Å; V363-V401 PolarHBondContact O-N 3.18Å; V363-L403 HydrophobicContact CG1-CB 3.97Å; V363-L403 HydrophobicContact CG1-CD1 3.91Å; V363-L403 HydrophobicContact CG2-CB 4.28Å; V363-V444 HydrophobicContact CG2-CG2 3.91Å
364	G	93.2	Very high	95.9	Very high	6 Å²	6	14.2 Å²	14.2	6%	0.062	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140	170.3	0	0	0	0	0	111.1	H399 G443	G364-H399 CarbonylContact C-O 3.58Å; G364-H399 VanDerWaalsContact CA-O 3.27Å; G364-H399 WeakPolarHBondContact CA-O 3.38Å; G364-G443 VanDerWaalsContact O-O 3.12Å
365	F	93.4	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.7	173.6	81.2	-68	0	0	0	110.6	V367 F371 N398 H399 V401 F433 I435 C442 V444	F365-V367 HydrophobicContact CE1-CG2 4.15Å; F365-V367 HydrophobicContact CE2-CG2 3.81Å; F365-V367 HydrophobicContact CZ-CG2 3.55Å; F365-F371 HydrophobicContact CE2-CD1 4.23Å; F365-F371 HydrophobicContact CE2-CD2 4.25Å; F365-F371 HydrophobicContact CE2-CE1 4Å; F365-F371 HydrophobicContact CE2-CE2 4.01Å; F365-F371 HydrophobicContact CE2-CG 4.34Å; F365-F371 AromaticContact CE2-CZ 3.86Å; F365-F371 HydrophobicContact CE2-CZ 3.86Å; F365-F371 HydrophobicContact CZ-CD1 4.1Å; F365-F371 AromaticContact CZ-CE1 3.51Å; F365-F371 HydrophobicContact CZ-CE1 3.51Å; F365-F371 HydrophobicContact CZ-CE2 4.12Å; F365-F371 AromaticContact CZ-CZ 3.5Å; F365-F371 HydrophobicContact CZ-CZ 3.5Å; F365-F371 VanDerWaalsContact CZ-CZ 3.5Å; F365-N398 CarbonylContact O-C 3.53Å; F365-N398 WeakPolarHBondContact O-CA 3.45Å; F365-H399 HydrophobicContact CD1-CB 4.25Å; F365-H399 HydrophobicContact CE1-CB 3.8Å; F365-H399 AromaticContact CE1-CD2 3.51Å; F365-H399 AromaticContact CE1-CG 4Å; F365-H399 HydrophobicContact CZ-CB 4.36Å; F365-H399 AromaticContact CZ-CD2 3.89Å; F365-H399 PolarHBondContact N-O 3.27Å; F365-H399 PolarHBondContact O-N 3.35Å; F365-V401 HydrophobicContact CD1-CG1 4.45Å; F365-V401 HydrophobicContact CD1-CG2 3.72Å; F365-V401 HydrophobicContact CE1-CB 4.44Å; F365-V401 HydrophobicContact CE1-CG1 3.74Å; F365-V401 HydrophobicContact CE1-CG2 3.79Å; F365-F433 HydrophobicContact CE1-CZ 4.07Å; F365-F433 HydrophobicContact CE2-CZ 4.42Å; F365-F433 AromaticContact CZ-CZ 3.95Å; F365-F433 HydrophobicContact CZ-CZ 3.95Å; F365-I435 HydrophobicContact CD2-CD1 4.33Å; F365-C442 CarbonylContact C-O 3.59Å; F365-C442 VanDerWaalsContact CA-O 3.31Å; F365-C442 WeakPolarHBondContact CA-O 3.24Å; F365-C442 HydrophobicContact CB-CB 4.45Å; F365-C442 WeakPolarHBondContact CB-O 3.04Å; F365-C442 HydrophobicContact CD2-CB 4.01Å; F365-V444 HydrophobicContact CB-CB 3.86Å; F365-V444 HydrophobicContact CB-CG2 4.12Å
366	E	91.8	Very high	96	Very high	22 Å²	22	19.7 Å²	19.7	10%	0.103	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.1	179.5	-65.9	172.9	178.3	0	0	110.5	R199 Y368 L396 T397 C442	R199-E366 IonicContact NE-OE1 2.77Å; R199-E366 PolarHBondContact NE-OE1 2.94Å; E366-Y368 HydrophobicContact CB-CD2 4.44Å; E366-Y368 HydrophobicContact CB-CE2 3.82Å; E366-Y368 PolarHBondContact OE2-OH 2.99Å; E366-L396 HydrophobicContact CB-CD1 3.83Å; E366-L396 HydrophobicContact CB-CD2 4.47Å; E366-L396 HydrophobicContact CB-CG 4.28Å; E366-L396 HydrophobicContact CG-CD2 4.43Å; E366-T397 CarbonylContact C-O 2.92Å; E366-T397 WeakPolarHBondContact CA-O 3.34Å; E366-C442 HydrophobicContact CB-CB 4.26Å; E366-C442 PolarHBondContact N-O 3.29Å; E366-C442 WeakPolarHBondContact O-CB 3.29Å
367	V	91.8	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.1	176.7	172.9	0	0	0	0	108.9	A190 F365 F371 F394 L396 T397 H399 W423	A190-V367 HydrophobicContact CB-CB 4.02Å; A190-V367 HydrophobicContact CB-CG1 3.77Å; A190-V367 HydrophobicContact CB-CG2 4.44Å; F365-V367 HydrophobicContact CE1-CG2 4.15Å; F365-V367 HydrophobicContact CE2-CG2 3.81Å; F365-V367 HydrophobicContact CZ-CG2 3.55Å; V367-F371 HydrophobicContact CG1-CB 4.3Å; V367-F371 HydrophobicContact CG1-CD1 3.94Å; V367-F371 HydrophobicContact CG2-CD1 4.13Å; V367-F371 HydrophobicContact CG2-CE1 4.43Å; V367-F394 HydrophobicContact CG1-CE1 4.21Å; V367-F394 HydrophobicContact CG1-CZ 4.03Å; V367-F394 WeakPolarHBondContact O-CE1 3.42Å; V367-L396 WeakPolarHBondContact O-CD1 3.48Å; V367-T397 PolarHBondContact N-O 2.88Å; V367-H399 HydrophobicContact CG2-CB 3.37Å; V367-W423 HydrophobicContact CG1-CH2 4.19Å
368	Y	92	Very high	96.2	Very high	57 Å²	57	14.2 Å²	14.2	22%	0.224	7%	0.07	C	C	.	.			trans	-90	164.2	170.4	-66.6	-96.1	0	0	0	110.6	E366 D370 F371 H381 L396 C442	E366-Y368 HydrophobicContact CB-CD2 4.44Å; E366-Y368 HydrophobicContact CB-CE2 3.82Å; E366-Y368 PolarHBondContact OE2-OH 2.99Å; Y368-D370 VanDerWaalsContact C-N 3.26Å; Y368-D370 WeakPolarHBondContact CB-OD1 3.37Å; Y368-D370 PolarHBondContact O-N 2.95Å; Y368-F371 WeakPolarHBondContact O-CB 3.25Å; Y368-F371 PolarHBondContact O-N 2.81Å; Y368-F371 VanDerWaalsContact O-N 3.15Å; Y368-H381 VanDerWaalsContact CB-ND1 3.28Å; Y368-H381 WeakPolarHBondContact CB-ND1 3.3Å; Y368-H381 AromaticContact CD1-CD2 3.52Å; Y368-H381 AromaticContact CD1-CE1 3.31Å; Y368-H381 WeakPolarHBondContact CD1-CE1 3.3Å; Y368-H381 AromaticContact CD1-CG 3.7Å; Y368-H381 AromaticContact CD1-ND1 3.57Å; Y368-H381 AromaticContact CD1-NE2 3.27Å; Y368-H381 VanDerWaalsContact CD1-NE2 3.27Å; Y368-H381 WeakPolarHBondContact CD1-NE2 3.22Å; Y368-H381 HydrophobicContact CD2-CB 3.95Å; Y368-H381 AromaticContact CD2-CG 3.74Å; Y368-H381 AromaticContact CD2-ND1 3.98Å; Y368-H381 AromaticContact CE1-CD2 3.58Å; Y368-H381 AromaticContact CE1-NE2 3.6Å; Y368-H381 HydrophobicContact CE2-CB 4.28Å; Y368-H381 HydrophobicContact CG-CB 4.21Å; Y368-H381 AromaticContact CG-CD2 3.84Å; Y368-H381 AromaticContact CG-CE1 3.57Å; Y368-H381 AromaticContact CG-CG 3.51Å; Y368-H381 AromaticContact CG-ND1 3.33Å; Y368-H381 VanDerWaalsContact CG-ND1 3.33Å; Y368-H381 AromaticContact CG-NE2 3.89Å; Y368-H381 AromaticContact CZ-CD2 3.99Å; Y368-L396 HydrophobicContact CD1-CD1 3.64Å; Y368-L396 HydrophobicContact CD2-CD1 3.77Å; Y368-L396 HydrophobicContact CE1-CD1 3.54Å; Y368-L396 HydrophobicContact CE1-CD2 4.05Å; Y368-L396 HydrophobicContact CE1-CG 4.39Å; Y368-L396 HydrophobicContact CE2-CD1 3.65Å; Y368-L396 HydrophobicContact CG-CD1 3.75Å; Y368-C442 HydrophobicContact CE2-CB 4.31Å
369	E	91.9	Very high	96.3	Very high	6 Å²	6	11.3 Å²	11.3	3%	0.028	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-57.7	-39.1	-178.3	-170.7	-178.9	-167.2	0	0	112.5	Y153 F159 F371 Q372 N386 N392 F394	Y153-E369 PolarHBondContact OH-OE1 2.57Å; F159-E369 HydrophobicContact CE1-CG 4.1Å; F159-E369 HydrophobicContact CZ-CG 4.45Å; E369-F371 VanDerWaalsContact C-N 3.27Å; E369-F371 PolarHBondContact O-N 3.17Å; E369-Q372 WeakPolarHBondContact O-CB 3.27Å; E369-Q372 PolarHBondContact O-N 2.82Å; E369-N386 PolarHBondContact OE1-ND2 2.82Å; E369-N386 WeakPolarHBondContact OE2-CB 3.22Å; E369-N392 VanDerWaalsContact OE2-CG 3.27Å; E369-N392 PolarHBondContact OE2-ND2 3.41Å; E369-N392 PolarHBondContact OE2-OD1 3.03Å; E369-F394 HydrophobicContact CB-CB 3.83Å; E369-F394 HydrophobicContact CB-CD1 4.22Å; E369-F394 HydrophobicContact CB-CG 3.96Å; E369-F394 HydrophobicContact CG-CB 3.92Å; E369-F394 HydrophobicContact CG-CG 4.21Å
370	D	95.1	Very high	96.2	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.011	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-64.7	-29.6	-179.7	60.9	0.4	0	0	0	113.1	F159 I163 W170 Y368 Q372 F373 Y379 H381 T382	F159-D370 HydrophobicContact CE1-CB 4.45Å; F159-D370 HydrophobicContact CZ-CB 4.08Å; I163-D370 HydrophobicContact CD1-CB 3.78Å; W170-D370 HydrophobicContact CH2-CB 4.08Å; W170-D370 HydrophobicContact CZ2-CB 4.29Å; Y368-D370 VanDerWaalsContact C-N 3.26Å; Y368-D370 WeakPolarHBondContact CB-OD1 3.37Å; Y368-D370 PolarHBondContact O-N 2.95Å; D370-Q372 PolarHBondContact O-N 2.77Å; D370-F373 PolarHBondContact O-N 2.84Å; D370-Y379 PolarHBondContact OD1-OH 3.5Å; D370-H381 IonicContact OD1-ND1 2.64Å; D370-H381 PolarHBondContact OD1-ND1 3.46Å; D370-H381 IonicContact OD2-CE1 2.7Å; D370-H381 IonicContact OD2-CG 3.21Å; D370-H381 IonicContact OD2-ND1 3.14Å; D370-H381 PolarHBondContact OD2-ND1 3.28Å; D370-T382 PolarHBondContact OD2-N 3.18Å; D370-T382 PolarHBondContact OD2-OG1 3.09Å
371	F	97.1	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-62.6	-29.1	177.7	-173.8	-104.6	0	0	0	112.9	F365 V367 Y368 E369 F373 Y374 Y379 W423 W427 F433	F365-F371 HydrophobicContact CE2-CD1 4.23Å; F365-F371 HydrophobicContact CE2-CD2 4.25Å; F365-F371 HydrophobicContact CE2-CE1 4Å; F365-F371 HydrophobicContact CE2-CE2 4.01Å; F365-F371 HydrophobicContact CE2-CG 4.34Å; F365-F371 AromaticContact CE2-CZ 3.86Å; F365-F371 HydrophobicContact CE2-CZ 3.86Å; F365-F371 HydrophobicContact CZ-CD1 4.1Å; F365-F371 AromaticContact CZ-CE1 3.51Å; F365-F371 HydrophobicContact CZ-CE1 3.51Å; F365-F371 HydrophobicContact CZ-CE2 4.12Å; F365-F371 AromaticContact CZ-CZ 3.5Å; F365-F371 HydrophobicContact CZ-CZ 3.5Å; F365-F371 VanDerWaalsContact CZ-CZ 3.5Å; V367-F371 HydrophobicContact CG1-CB 4.3Å; V367-F371 HydrophobicContact CG1-CD1 3.94Å; V367-F371 HydrophobicContact CG2-CD1 4.13Å; V367-F371 HydrophobicContact CG2-CE1 4.43Å; Y368-F371 WeakPolarHBondContact O-CB 3.25Å; Y368-F371 PolarHBondContact O-N 2.81Å; Y368-F371 VanDerWaalsContact O-N 3.15Å; E369-F371 VanDerWaalsContact C-N 3.27Å; E369-F371 PolarHBondContact O-N 3.17Å; F371-F373 PolarHBondContact O-N 3.31Å; F371-F373 VanDerWaalsContact O-N 3.07Å; F371-Y374 WeakPolarHBondContact O-CB 3.34Å; F371-Y374 PolarHBondContact O-N 2.77Å; F371-Y374 VanDerWaalsContact O-N 3.09Å; F371-Y379 HydrophobicContact CB-CE1 4.44Å; F371-Y379 HydrophobicContact CB-CE2 4.03Å; F371-Y379 AromaticContact CD2-CD1 3.8Å; F371-Y379 HydrophobicContact CD2-CD1 3.8Å; F371-Y379 AromaticContact CD2-CD2 3.96Å; F371-Y379 HydrophobicContact CD2-CD2 3.96Å; F371-Y379 AromaticContact CD2-CE1 3.67Å; F371-Y379 HydrophobicContact CD2-CE1 3.67Å; F371-Y379 AromaticContact CD2-CE2 3.85Å; F371-Y379 HydrophobicContact CD2-CE2 3.85Å; F371-Y379 AromaticContact CD2-CG 3.95Å; F371-Y379 HydrophobicContact CD2-CG 3.95Å; F371-Y379 AromaticContact CD2-CZ 3.71Å; F371-Y379 HydrophobicContact CE2-CD1 4.19Å; F371-Y379 HydrophobicContact CE2-CE1 4.41Å; F371-Y379 HydrophobicContact CE2-CG 4.35Å; F371-Y379 HydrophobicContact CG-CE1 4.42Å; F371-Y379 HydrophobicContact CG-CE2 4.45Å; F371-W423 AromaticContact CD1-CH2 3.62Å; F371-W423 HydrophobicContact CD1-CH2 3.62Å; F371-W423 AromaticContact CD1-CZ3 3.68Å; F371-W423 HydrophobicContact CD1-CZ3 3.68Å; F371-W423 HydrophobicContact CE1-CE3 4.43Å; F371-W423 AromaticContact CE1-CH2 3.64Å; F371-W423 HydrophobicContact CE1-CH2 3.64Å; F371-W423 AromaticContact CE1-CZ3 3.56Å; F371-W423 HydrophobicContact CE1-CZ3 3.56Å; F371-W427 HydrophobicContact CD1-CZ2 4.22Å; F371-W427 AromaticContact CE1-CH2 3.78Å; F371-W427 HydrophobicContact CE1-CH2 3.78Å; F371-W427 AromaticContact CE1-CZ2 3.69Å; F371-W427 HydrophobicContact CE1-CZ2 3.69Å; F371-W427 AromaticContact CE2-CH2 3.92Å; F371-W427 HydrophobicContact CE2-CH2 3.92Å; F371-W427 HydrophobicContact CE2-CZ2 4.16Å; F371-W427 AromaticContact CZ-CH2 3.35Å; F371-W427 HydrophobicContact CZ-CH2 3.35Å; F371-W427 AromaticContact CZ-CZ2 3.68Å; F371-W427 HydrophobicContact CZ-CZ2 3.68Å; F371-W427 HydrophobicContact CZ-CZ3 4.49Å; F371-F433 HydrophobicContact CE2-CD1 4.42Å; F371-F433 AromaticContact CE2-CD2 3.74Å; F371-F433 HydrophobicContact CE2-CD2 3.74Å; F371-F433 HydrophobicContact CE2-CE1 4.5Å; F371-F433 AromaticContact CE2-CE2 3.84Å; F371-F433 HydrophobicContact CE2-CE2 3.84Å; F371-F433 HydrophobicContact CE2-CG 4.04Å; F371-F433 HydrophobicContact CE2-CZ 4.21Å; F371-F433 AromaticContact CZ-CD1 3.95Å; F371-F433 HydrophobicContact CZ-CD1 3.95Å; F371-F433 HydrophobicContact CZ-CD2 4.06Å; F371-F433 AromaticContact CZ-CE1 3.86Å; F371-F433 HydrophobicContact CZ-CE1 3.86Å; F371-F433 AromaticContact CZ-CE2 3.97Å; F371-F433 HydrophobicContact CZ-CE2 3.97Å; F371-F433 HydrophobicContact CZ-CG 4.04Å; F371-F433 AromaticContact CZ-CZ 3.86Å; F371-F433 HydrophobicContact CZ-CZ 3.86Å
372	Q	95.1	Very high	95.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26	175.7	-62.6	-69.2	-38.7	0	0	111.9	L178 R189 E369 D370 F394 W427	L178-Q372 HydrophobicContact CD1-CB 4.23Å; R189-Q372 VanDerWaalsContact NH1-OE1 3.08Å; E369-Q372 WeakPolarHBondContact O-CB 3.27Å; E369-Q372 PolarHBondContact O-N 2.82Å; D370-Q372 PolarHBondContact O-N 2.77Å; Q372-F394 HydrophobicContact CG-CE2 4.09Å; Q372-F394 HydrophobicContact CG-CZ 4.43Å; Q372-W427 PolarHBondContact O-NE1 2.94Å
373	F	97.7	Very high	95.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-101	2.8	-177.3	-58.8	-79.5	0	0	0	113.9	Y153 I155 F159 V160 A172 E173 L178 D370 F371 K375	Y153-F373 AromaticContact CE1-CZ 3.89Å; Y153-F373 HydrophobicContact CE1-CZ 3.89Å; Y153-F373 WeakPolarHBondContact OH-CE2 3.37Å; Y153-F373 VanDerWaalsContact OH-CZ 3.3Å; Y153-F373 WeakPolarHBondContact OH-CZ 3.29Å; I155-F373 HydrophobicContact CG2-CE1 4.13Å; F159-F373 HydrophobicContact CD1-CD2 4.17Å; F159-F373 AromaticContact CD1-CE2 3.8Å; F159-F373 HydrophobicContact CD1-CE2 3.8Å; F159-F373 HydrophobicContact CE1-CD2 4.02Å; F159-F373 AromaticContact CE1-CE2 3.84Å; F159-F373 HydrophobicContact CE1-CE2 3.84Å; V160-F373 HydrophobicContact CG2-CB 4.36Å; V160-F373 HydrophobicContact CG2-CD1 3.7Å; V160-F373 HydrophobicContact CG2-CE1 4.07Å; V160-F373 HydrophobicContact CG2-CG 3.98Å; A172-F373 CarbonylContact C-O 3.33Å; A172-F373 VanDerWaalsContact CA-O 3.23Å; A172-F373 WeakPolarHBondContact CA-O 3.42Å; A172-F373 HydrophobicContact CB-CB 4.1Å; E173-F373 PolarHBondContact N-O 2.5Å; E173-F373 WeakPolarHBondContact O-CD1 3.13Å; L178-F373 HydrophobicContact CD1-CD1 3.98Å; L178-F373 HydrophobicContact CD1-CE1 3.66Å; L178-F373 HydrophobicContact CD1-CZ 4.13Å; D370-F373 PolarHBondContact O-N 2.84Å; F371-F373 PolarHBondContact O-N 3.31Å; F371-F373 VanDerWaalsContact O-N 3.07Å; F373-K375 PolarHBondContact O-N 2.86Å
374	Y	98.6	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	130.7	179.1	171.4	-86.3	0	0	0	111.7	W170 Y175 F371 G377 Y379 W427 E429 F433 R434	W170-Y374 HydrophobicContact CB-CD2 4.43Å; W170-Y374 HydrophobicContact CB-CE2 4.27Å; W170-Y374 HydrophobicContact CD2-CD2 4.42Å; W170-Y374 AromaticContact CE3-CD2 3.97Å; W170-Y374 HydrophobicContact CE3-CD2 3.97Å; Y175-Y374 WeakPolarHBondContact CE2-O 3.26Å; Y175-Y374 PolarHBondContact OH-O 3.25Å; F371-Y374 WeakPolarHBondContact O-CB 3.34Å; F371-Y374 PolarHBondContact O-N 2.77Å; F371-Y374 VanDerWaalsContact O-N 3.09Å; Y374-G377 WeakPolarHBondContact CE2-O 3.28Å; Y374-G377 PolarHBondContact OH-N 2.96Å; Y374-G377 PolarHBondContact OH-O 3.11Å; Y374-Y379 HydrophobicContact CD2-CD2 4.19Å; Y374-Y379 HydrophobicContact CD2-CG 4.34Å; Y374-W427 AromaticContact CD1-CH2 3.72Å; Y374-W427 HydrophobicContact CD1-CH2 3.72Å; Y374-W427 AromaticContact CD1-CZ2 3.97Å; Y374-W427 HydrophobicContact CD1-CZ2 3.97Å; Y374-W427 HydrophobicContact CD1-CZ3 4.25Å; Y374-W427 HydrophobicContact CG-CH2 4.35Å; Y374-W427 HydrophobicContact CG-CZ2 4.32Å; Y374-E429 HydrophobicContact CE1-CG 4.22Å; Y374-E429 VanDerWaalsContact OH-CD 3.26Å; Y374-E429 PolarHBondContact OH-OE1 2.97Å; Y374-F433 HydrophobicContact CD1-CB 3.68Å; Y374-F433 HydrophobicContact CE1-CB 3.23Å; Y374-F433 HydrophobicContact CE2-CB 4.26Å; Y374-F433 HydrophobicContact CG-CB 4.39Å; Y374-F433 WeakPolarHBondContact OH-CA 3.48Å; Y374-R434 PolarHBondContact OH-N 3.34Å; Y374-R434 VanDerWaalsContact OH-N 3.08Å
375	K	98.7	Very high	94.9	Very high	48 Å²	48	28.2 Å²	28.2	21%	0.209	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-52.1	174.4	-177.4	57.5	173.8	-153.2	0	113.3	R171 E173 Y175 F373 G428 E429	R171-K375 VanDerWaalsContact O-CB 3.32Å; R171-K375 WeakPolarHBondContact O-CB 3.24Å; R171-K375 PolarHBondContact O-N 3.01Å; E173-K375 HydrophobicContact CB-CB 3.73Å; E173-K375 HydrophobicContact CB-CD 4.33Å; E173-K375 HydrophobicContact CB-CG 4.03Å; E173-K375 WeakPolarHBondContact OE1-CD 3.03Å; E173-K375 VanDerWaalsContact OE1-CE 3.27Å; E173-K375 WeakPolarHBondContact OE1-CE 3.37Å; E173-K375 IonicContact OE1-NZ 3.95Å; E173-K375 PolarHBondContact OE1-NZ 3.32Å; E173-K375 IonicContact OE2-NZ 2.72Å; Y175-K375 VanDerWaalsContact OH-CD 3.27Å; Y175-K375 WeakPolarHBondContact OH-CD 3.38Å; F373-K375 PolarHBondContact O-N 2.86Å; K375-G428 CarbonylContact O-C 3.45Å; K375-G428 VanDerWaalsContact O-CA 3.25Å; K375-G428 WeakPolarHBondContact O-CA 3.36Å; K375-E429 WeakPolarHBondContact O-CG 3.38Å; K375-E429 PolarHBondContact O-N 3.39Å
376	E	98.4	Very high	94.5	Very high	86 Å²	86	28.6 Å²	28.6	40%	0.402	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	163.4	-176	64.8	-169.4	153.6	0	0	111.5	W170 R171 E429	W170-E376 CarbonylContact C-O 3.46Å; W170-E376 WeakPolarHBondContact CA-O 3.36Å; W170-E376 VanDerWaalsContact CB-O 3.28Å; W170-E376 WeakPolarHBondContact CB-O 3.38Å; R171-E376 HydrophobicContact CB-CG 4.11Å; R171-E376 IonicContact CZ-OE1 3.72Å; R171-E376 PolarHBondContact N-O 2.7Å; R171-E376 IonicContact NE-OE1 3.39Å; R171-E376 PolarHBondContact NE-OE1 3.42Å; R171-E376 IonicContact NH2-OE1 2.61Å; R171-E376 PolarHBondContact NH2-OE1 3.21Å; E376-E429 WeakPolarHBondContact CA-OE1 3.44Å; E376-E429 HydrophobicContact CB-CG 3.88Å
377	G	98.4	Very high	94.2	Very high	10 Å²	10	31.8 Å²	31.8	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-166.5	179.1	0	0	0	0	0	113	S169 Y374 Y379 E429 R434	S169-G377 CarbonylContact O-C 3.54Å; S169-G377 WeakPolarHBondContact O-CA 3.46Å; Y374-G377 WeakPolarHBondContact CE2-O 3.28Å; Y374-G377 PolarHBondContact OH-N 2.96Å; Y374-G377 PolarHBondContact OH-O 3.11Å; G377-Y379 PolarHBondContact O-N 3.32Å; G377-E429 PolarHBondContact N-OE1 3.31Å; G377-R434 WeakPolarHBondContact O-CB 3.5Å
378	I	98.5	Very high	93.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	100.5	-175.3	-46	-48.5	0	0	0	109.3	S169 H380 D409 E414 Y416 R434 L436	S169-I378 PolarHBondContact O-N 2.78Å; S169-I378 WeakPolarHBondContact OG-CB 3.49Å; S169-I378 PolarHBondContact OG-O 3.22Å; I378-H380 PolarHBondContact O-N 3.14Å; I378-H380 PolarHBondContact O-ND1 2.89Å; I378-D409 HydrophobicContact CD1-CB 4.29Å; I378-D409 HydrophobicContact CG1-CB 4.11Å; I378-E414 HydrophobicContact CG1-CB 4.42Å; I378-Y416 HydrophobicContact CD1-CD1 3.52Å; I378-Y416 HydrophobicContact CD1-CE1 4.34Å; I378-Y416 HydrophobicContact CD1-CG 3.71Å; I378-Y416 HydrophobicContact CG1-CD1 4.47Å; I378-R434 HydrophobicContact CD1-CB 3.63Å; I378-R434 HydrophobicContact CD1-CG 4.38Å; I378-L436 HydrophobicContact CG2-CB 4.21Å; I378-L436 HydrophobicContact CG2-CD1 4.47Å
379	Y	98.7	Very high	92.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	134.8	180	178.8	-104.4	0	0	0	111.3	W170 D370 F371 Y374 G377 R434 I435 L436	W170-Y379 HydrophobicContact CD2-CD2 4.03Å; W170-Y379 AromaticContact CE2-CD2 3.72Å; W170-Y379 HydrophobicContact CE3-CD2 4.43Å; W170-Y379 HydrophobicContact CG-CD2 4.49Å; W170-Y379 HydrophobicContact CH2-CD2 4.29Å; W170-Y379 HydrophobicContact CH2-CE2 4.17Å; W170-Y379 AromaticContact CZ2-CD2 3.87Å; W170-Y379 HydrophobicContact CZ2-CD2 3.87Å; W170-Y379 AromaticContact CZ2-CE2 3.77Å; W170-Y379 HydrophobicContact CZ2-CE2 3.77Å; W170-Y379 AromaticContact NE1-CD2 3.98Å; D370-Y379 PolarHBondContact OD1-OH 3.5Å; F371-Y379 HydrophobicContact CB-CE1 4.44Å; F371-Y379 HydrophobicContact CB-CE2 4.03Å; F371-Y379 AromaticContact CD2-CD1 3.8Å; F371-Y379 HydrophobicContact CD2-CD1 3.8Å; F371-Y379 AromaticContact CD2-CD2 3.96Å; F371-Y379 HydrophobicContact CD2-CD2 3.96Å; F371-Y379 AromaticContact CD2-CE1 3.67Å; F371-Y379 HydrophobicContact CD2-CE1 3.67Å; F371-Y379 AromaticContact CD2-CE2 3.85Å; F371-Y379 HydrophobicContact CD2-CE2 3.85Å; F371-Y379 AromaticContact CD2-CG 3.95Å; F371-Y379 HydrophobicContact CD2-CG 3.95Å; F371-Y379 AromaticContact CD2-CZ 3.71Å; F371-Y379 HydrophobicContact CE2-CD1 4.19Å; F371-Y379 HydrophobicContact CE2-CE1 4.41Å; F371-Y379 HydrophobicContact CE2-CG 4.35Å; F371-Y379 HydrophobicContact CG-CE1 4.42Å; F371-Y379 HydrophobicContact CG-CE2 4.45Å; Y374-Y379 HydrophobicContact CD2-CD2 4.19Å; Y374-Y379 HydrophobicContact CD2-CG 4.34Å; G377-Y379 PolarHBondContact O-N 3.32Å; Y379-R434 WeakPolarHBondContact CB-O 3.39Å; Y379-R434 PolarHBondContact N-O 3.2Å; Y379-I435 HydrophobicContact CD1-CD1 3.9Å; Y379-I435 HydrophobicContact CD1-CG1 4Å; Y379-I435 HydrophobicContact CE1-CD1 4.41Å; Y379-I435 WeakPolarHBondContact O-CA 3.4Å; Y379-L436 PolarHBondContact O-N 3.3Å
380	H	97	Very high	92	Very high	45 Å²	45	42.6 Å²	42.6	21%	0.208	22%	0.217	C	C	.	.			trans	-146.1	144.4	161.3	58.9	-92.6	0	0	0	107.1	S169 W170 I378 E441	S169-H380 WeakPolarHBondContact CB-CE1 3.37Å; W170-H380 AromaticContact CD1-ND1 3.92Å; W170-H380 PolarHBondContact NE1-O 2.8Å; I378-H380 PolarHBondContact O-N 3.14Å; I378-H380 PolarHBondContact O-ND1 2.89Å; H380-E441 WeakPolarHBondContact CA-OE1 3.45Å; H380-E441 HydrophobicContact CB-CG 4.2Å
381	H	95.5	Very high	91	Very high	65 Å²	65	48 Å²	48	30%	0.301	24%	0.241	S	C	.	.			trans	-64.3	137.5	-178.9	175.2	50.3	0	0	0	110.8	Y368 D370 E441	Y368-H381 VanDerWaalsContact CB-ND1 3.28Å; Y368-H381 WeakPolarHBondContact CB-ND1 3.3Å; Y368-H381 AromaticContact CD1-CD2 3.52Å; Y368-H381 AromaticContact CD1-CE1 3.31Å; Y368-H381 WeakPolarHBondContact CD1-CE1 3.3Å; Y368-H381 AromaticContact CD1-CG 3.7Å; Y368-H381 AromaticContact CD1-ND1 3.57Å; Y368-H381 AromaticContact CD1-NE2 3.27Å; Y368-H381 VanDerWaalsContact CD1-NE2 3.27Å; Y368-H381 WeakPolarHBondContact CD1-NE2 3.22Å; Y368-H381 HydrophobicContact CD2-CB 3.95Å; Y368-H381 AromaticContact CD2-CG 3.74Å; Y368-H381 AromaticContact CD2-ND1 3.98Å; Y368-H381 AromaticContact CE1-CD2 3.58Å; Y368-H381 AromaticContact CE1-NE2 3.6Å; Y368-H381 HydrophobicContact CE2-CB 4.28Å; Y368-H381 HydrophobicContact CG-CB 4.21Å; Y368-H381 AromaticContact CG-CD2 3.84Å; Y368-H381 AromaticContact CG-CE1 3.57Å; Y368-H381 AromaticContact CG-CG 3.51Å; Y368-H381 AromaticContact CG-ND1 3.33Å; Y368-H381 VanDerWaalsContact CG-ND1 3.33Å; Y368-H381 AromaticContact CG-NE2 3.89Å; Y368-H381 AromaticContact CZ-CD2 3.99Å; D370-H381 IonicContact OD1-ND1 2.64Å; D370-H381 PolarHBondContact OD1-ND1 3.46Å; D370-H381 IonicContact OD2-CE1 2.7Å; D370-H381 IonicContact OD2-CG 3.21Å; D370-H381 IonicContact OD2-ND1 3.14Å; D370-H381 PolarHBondContact OD2-ND1 3.28Å; H381-E441 PolarHBondContact N-OE1 3.29Å
382	T	94.4	Very high	89.6	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	26%	0.257	C	S	.	.			trans	-103.2	147.8	-179.9	69.5	0	0	0	0	111.4	I163 Q167 W170 D370 V384	I163-T382 HydrophobicContact CG2-CG2 4.4Å; Q167-T382 HydrophobicContact CG-CG2 3.68Å; W170-T382 HydrophobicContact CZ2-CG2 3.9Å; D370-T382 PolarHBondContact OD2-N 3.18Å; D370-T382 PolarHBondContact OD2-OG1 3.09Å; T382-V384 PolarHBondContact O-N 2.68Å
383	T	91.5	Very high	88.2	Confident	104 Å²	104	51.1 Å²	51.1	64%	0.638	26%	0.258	S	S	*	.			trans	-78.1	4.6	174	57.3	0	0	0	0	113.4	Q385	T383-Q385 PolarHBondContact O-N 3.39Å; T383-Q385 PolarHBondContact O-NE2 2.9Å
384	V	91.1	Very high	86.9	Confident	20 Å²	20	51.9 Å²	51.9	12%	0.121	26%	0.261	C	S	.	.			trans	-63.6	132.9	-179.4	-179.5	0	0	0	0	108.7	F159 K162 I163 H166 T382	F159-V384 HydrophobicContact CD2-CG1 3.87Å; F159-V384 HydrophobicContact CE2-CB 4.25Å; F159-V384 HydrophobicContact CE2-CG1 3.85Å; F159-V384 WeakPolarHBondContact CE2-O 3.28Å; K162-V384 HydrophobicContact CB-CG1 3.63Å; K162-V384 HydrophobicContact CD-CG1 4.45Å; I163-V384 HydrophobicContact CG1-CB 4.17Å; I163-V384 HydrophobicContact CG1-CG1 4.18Å; I163-V384 HydrophobicContact CG1-CG2 4.47Å; H166-V384 HydrophobicContact CB-CG2 3.63Å; T382-V384 PolarHBondContact O-N 2.68Å
385	Q	86.4	Confident	85.5	Confident	124 Å²	124	54.4 Å²	54.4	58%	0.579	27%	0.273	S	S	*	.			trans	-101.2	140.8	179.7	-60	-61.3	-50.3	0	0	110.4	T383 D387	T383-Q385 PolarHBondContact O-N 3.39Å; T383-Q385 PolarHBondContact O-NE2 2.9Å; Q385-D387 PolarHBondContact O-N 2.95Å
386	N	85.3	Confident	84.3	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.037	28%	0.28	C	S	.	.			trans	-76.4	107.6	171.2	-173.9	-8	0	0	0	109.8	N156 F159 E369 H388	N156-N386 WeakPolarHBondContact CB-OD1 3.47Å; N156-N386 PolarHBondContact ND2-OD1 3.41Å; F159-N386 HydrophobicContact CD1-CB 4.27Å; F159-N386 HydrophobicContact CD2-CB 3.88Å; F159-N386 HydrophobicContact CE1-CB 4.45Å; F159-N386 HydrophobicContact CE2-CB 4.09Å; F159-N386 HydrophobicContact CG-CB 3.98Å; F159-N386 HydrophobicContact CZ-CB 4.36Å; E369-N386 PolarHBondContact OE1-ND2 2.82Å; E369-N386 WeakPolarHBondContact OE2-CB 3.22Å; N386-H388 PolarHBondContact O-N 3.05Å; N386-H388 WeakPolarHBondContact OD1-CB 3.03Å; N386-H388 PolarHBondContact OD1-N 2.86Å; N386-H388 VanDerWaalsContact OD1-N 3.1Å
387	D	85	Confident	83.1	Confident	90 Å²	90	51.4 Å²	51.4	48%	0.481	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.2	-178	61.7	-31.2	0	0	0	114.3	N156 K162 Q385 Y389	N156-D387 PolarHBondContact ND2-OD1 2.84Å; K162-D387 IonicContact NZ-OD1 3.86Å; K162-D387 PolarHBondContact NZ-OD1 3.37Å; K162-D387 VanDerWaalsContact NZ-OD1 3.14Å; K162-D387 IonicContact NZ-OD2 2.71Å; K162-D387 PolarHBondContact NZ-OD2 2.66Å; Q385-D387 PolarHBondContact O-N 2.95Å; D387-Y389 VanDerWaalsContact C-N 3.28Å
388	H	81.3	Confident	82.5	Confident	88 Å²	88	52.3 Å²	52.3	41%	0.407	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31	174.2	-174.6	80.4	0	0	0	112.2	H154 N156 N386	H154-H388 WeakPolarHBondContact CB-NE2 3.34Å; H154-H388 AromaticContact CG-NE2 3.79Å; N156-H388 HydrophobicContact CB-CB 3.85Å; N156-H388 PolarHBondContact ND2-N 2.84Å; N386-H388 PolarHBondContact O-N 3.05Å; N386-H388 WeakPolarHBondContact OD1-CB 3.03Å; N386-H388 PolarHBondContact OD1-N 2.86Å; N386-H388 VanDerWaalsContact OD1-N 3.1Å
389	Y	75.4	Confident	82.3	Confident	26 Å²	26	52.4 Å²	52.4	10%	0.102	27%	0.265	C	S	.	.	S	Bend	trans	-113.1	140.4	-178.2	-56.4	-74.1	0	0	0	110.1	F148 Y153 H154 D387 F391 P393	F148-Y389 HydrophobicContact CE1-CD1 4.25Å; F148-Y389 HydrophobicContact CE1-CE1 4.12Å; F148-Y389 AromaticContact CZ-CD1 3.68Å; F148-Y389 HydrophobicContact CZ-CD1 3.68Å; F148-Y389 AromaticContact CZ-CE1 3.69Å; F148-Y389 HydrophobicContact CZ-CE1 3.69Å; Y153-Y389 HydrophobicContact CE2-CE2 4.2Å; H154-Y389 PolarHBondContact N-OH 2.92Å; D387-Y389 VanDerWaalsContact C-N 3.28Å; Y389-F391 WeakPolarHBondContact CB-O 3.39Å; Y389-F391 PolarHBondContact O-N 3.17Å; Y389-F391 VanDerWaalsContact O-N 3.11Å; Y389-P393 HydrophobicContact CD1-CG 4.07Å; Y389-P393 VanDerWaalsContact CD2-CD 3.42Å; Y389-P393 HydrophobicContact CD2-CG 3.54Å; Y389-P393 HydrophobicContact CE1-CG 4.14Å; Y389-P393 HydrophobicContact CE2-CG 3.63Å; Y389-P393 HydrophobicContact CG-CG 3.77Å
390	N	72.9	Confident	82.2	Confident	176 Å²	176	52.7 Å²	52.7	94%	0.941	27%	0.266	S	S	*	.	S	Bend	trans	-68.3	-6.4	175.3	-67	-17.1	0	0	0	113.2
391	F	74.2	Confident	82.3	Confident	114 Å²	114	50.6 Å²	50.6	50%	0.5	26%	0.257	S	S	.	.	S	Bend	trans	-150.4	151.7	175.1	66.8	-81	0	0	0	107	F148 Y389 P393	F148-F391 HydrophobicContact CD1-CE2 4.3Å; F148-F391 AromaticContact CD1-CZ 3.79Å; F148-F391 HydrophobicContact CD1-CZ 3.79Å; F148-F391 HydrophobicContact CD2-CZ 4.11Å; F148-F391 HydrophobicContact CE1-CE2 4.36Å; F148-F391 AromaticContact CE1-CZ 3.78Å; F148-F391 HydrophobicContact CE1-CZ 3.78Å; F148-F391 HydrophobicContact CE2-CE1 4.36Å; F148-F391 HydrophobicContact CE2-CZ 4.09Å; F148-F391 AromaticContact CG-CZ 3.96Å; F148-F391 HydrophobicContact CG-CZ 3.96Å; F148-F391 HydrophobicContact CZ-CE1 4.34Å; F148-F391 AromaticContact CZ-CZ 3.92Å; F148-F391 HydrophobicContact CZ-CZ 3.92Å; Y389-F391 WeakPolarHBondContact CB-O 3.39Å; Y389-F391 PolarHBondContact O-N 3.17Å; Y389-F391 VanDerWaalsContact O-N 3.11Å; F391-P393 HydrophobicContact CD2-CB 4.4Å; F391-P393 HydrophobicContact CE2-CB 3.73Å; F391-P393 HydrophobicContact CZ-CB 4.24Å; F391-P393 WeakPolarHBondContact O-CD 3.45Å
392	N	68.3	Low	82.4	Confident	66 Å²	66	47.6 Å²	47.6	35%	0.353	24%	0.243	S	C	.	.			trans	-72.9	114.8	173	-168.3	-20.8	0	0	0	109.6	E369 F394	E369-N392 VanDerWaalsContact OE2-CG 3.27Å; E369-N392 PolarHBondContact OE2-ND2 3.41Å; E369-N392 PolarHBondContact OE2-OD1 3.03Å; N392-F394 VanDerWaalsContact C-N 3.3Å; N392-F394 WeakPolarHBondContact OD1-CA 3.16Å; N392-F394 WeakPolarHBondContact OD1-CB 3.31Å; N392-F394 PolarHBondContact OD1-N 3.11Å; N392-F394 PolarHBondContact OD1-O 3.2Å
393	P	65.4	Low	82.6	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.242	C	C	.	.			trans	-84.1	-8.2	177.1	38.3	-36.8	0	0	0	112.4	F148 I183 R187 Y389 F391 E395	F148-P393 HydrophobicContact CD1-CB 3.69Å; F148-P393 HydrophobicContact CE1-CB 3.24Å; F148-P393 HydrophobicContact CE1-CG 3.83Å; F148-P393 HydrophobicContact CZ-CB 4.31Å; I183-P393 HydrophobicContact CD1-CB 4.13Å; I183-P393 HydrophobicContact CD1-CG 4.21Å; I183-P393 HydrophobicContact CG2-CB 4.43Å; R187-P393 PolarHBondContact NE-O 2.99Å; R187-P393 PolarHBondContact NH2-O 2.71Å; Y389-P393 HydrophobicContact CD1-CG 4.07Å; Y389-P393 VanDerWaalsContact CD2-CD 3.42Å; Y389-P393 HydrophobicContact CD2-CG 3.54Å; Y389-P393 HydrophobicContact CE1-CG 4.14Å; Y389-P393 HydrophobicContact CE2-CG 3.63Å; Y389-P393 HydrophobicContact CG-CG 3.77Å; F391-P393 HydrophobicContact CD2-CB 4.4Å; F391-P393 HydrophobicContact CE2-CB 3.73Å; F391-P393 HydrophobicContact CZ-CB 4.24Å; F391-P393 WeakPolarHBondContact O-CD 3.45Å; P393-E395 PolarHBondContact O-N 2.72Å
394	F	69.1	Low	83	Confident	15 Å²	15	42.5 Å²	42.5	7%	0.066	21%	0.212	C	C	.	.			trans	-77.1	115.2	171.3	-160	-83.7	0	0	0	108.4	L186 A190 V367 E369 Q372 N392	L186-F394 HydrophobicContact CB-CE2 4.24Å; A190-F394 HydrophobicContact CB-CZ 3.91Å; V367-F394 HydrophobicContact CG1-CE1 4.21Å; V367-F394 HydrophobicContact CG1-CZ 4.03Å; V367-F394 WeakPolarHBondContact O-CE1 3.42Å; E369-F394 HydrophobicContact CB-CB 3.83Å; E369-F394 HydrophobicContact CB-CD1 4.22Å; E369-F394 HydrophobicContact CB-CG 3.96Å; E369-F394 HydrophobicContact CG-CB 3.92Å; E369-F394 HydrophobicContact CG-CG 4.21Å; Q372-F394 HydrophobicContact CG-CE2 4.09Å; Q372-F394 HydrophobicContact CG-CZ 4.43Å; N392-F394 VanDerWaalsContact C-N 3.3Å; N392-F394 WeakPolarHBondContact OD1-CA 3.16Å; N392-F394 WeakPolarHBondContact OD1-CB 3.31Å; N392-F394 PolarHBondContact OD1-N 3.11Å; N392-F394 PolarHBondContact OD1-O 3.2Å
395	E	69.3	Low	83.3	Confident	54 Å²	54	41.6 Å²	41.6	25%	0.252	21%	0.206	S	C	.	.			trans	-85.4	139.5	173.3	-77.6	166.4	-146.9	0	0	108.4	R187 V193 P393 T397	R187-E395 IonicContact CZ-OE1 3.26Å; R187-E395 IonicContact NH1-OE1 2.69Å; R187-E395 PolarHBondContact NH1-OE1 3.05Å; R187-E395 IonicContact NH1-OE2 3.2Å; R187-E395 VanDerWaalsContact NH2-CD 3.26Å; R187-E395 IonicContact NH2-OE1 3.22Å; R187-E395 PolarHBondContact NH2-OE1 3.24Å; V193-E395 HydrophobicContact CG1-CB 4.23Å; V193-E395 WeakPolarHBondContact CG1-OE2 3.16Å; P393-E395 PolarHBondContact O-N 2.72Å; E395-T397 WeakPolarHBondContact O-CG2 3.41Å; E395-T397 PolarHBondContact O-N 3.09Å
396	L	74.2	Confident	83.9	Confident	70 Å²	70	35.8 Å²	35.8	37%	0.366	18%	0.179	S	C	.	.			trans	-63.2	124.6	176.6	-173	61.9	0	0	0	109.8	E366 V367 Y368	E366-L396 HydrophobicContact CB-CD1 3.83Å; E366-L396 HydrophobicContact CB-CD2 4.47Å; E366-L396 HydrophobicContact CB-CG 4.28Å; E366-L396 HydrophobicContact CG-CD2 4.43Å; V367-L396 WeakPolarHBondContact O-CD1 3.48Å; Y368-L396 HydrophobicContact CD1-CD1 3.64Å; Y368-L396 HydrophobicContact CD2-CD1 3.77Å; Y368-L396 HydrophobicContact CE1-CD1 3.54Å; Y368-L396 HydrophobicContact CE1-CD2 4.05Å; Y368-L396 HydrophobicContact CE1-CG 4.39Å; Y368-L396 HydrophobicContact CE2-CD1 3.65Å; Y368-L396 HydrophobicContact CG-CD1 3.75Å
397	T	74	Confident	84.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160.8	179.8	63.6	0	0	0	0	111	A190 G192 V193 E366 V367 E395	A190-T397 VanDerWaalsContact C-OG1 3.31Å; A190-T397 WeakPolarHBondContact CB-OG1 3.41Å; A190-T397 WeakPolarHBondContact O-CB 3.33Å; A190-T397 PolarHBondContact O-OG1 3.22Å; G192-T397 VanDerWaalsContact O-CB 3.27Å; G192-T397 WeakPolarHBondContact O-CB 3.41Å; G192-T397 WeakPolarHBondContact O-CG2 3.31Å; V193-T397 HydrophobicContact CG1-CG2 4.31Å; E366-T397 CarbonylContact C-O 2.92Å; E366-T397 WeakPolarHBondContact CA-O 3.34Å; V367-T397 PolarHBondContact N-O 2.88Å; E395-T397 WeakPolarHBondContact O-CG2 3.41Å; E395-T397 PolarHBondContact O-N 3.09Å
398	N	85.6	Confident	85.1	Confident	29 Å²	29	32.5 Å²	32.5	16%	0.155	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.1	170.1	-67.8	-75.8	0	0	0	110.2	Y80 A190 G191 F365	Y80-N398 WeakPolarHBondContact CE1-ND2 3.29Å; Y80-N398 PolarHBondContact OH-ND2 2.78Å; A190-N398 CarbonylContact O-C 3.55Å; G191-N398 WeakPolarHBondContact CA-O 3.2Å; F365-N398 CarbonylContact O-C 3.53Å; F365-N398 WeakPolarHBondContact O-CA 3.45Å
399	H	94	Very high	85.9	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.8	179.9	-173.4	38.1	0	0	0	110.8	A190 Q242 C248 G364 F365 V367 N421 W423	A190-H399 WeakPolarHBondContact O-CB 3.23Å; Q242-H399 PolarHBondContact OE1-CE1 3.37Å; C248-H399 WeakPolarHBondContact CB-CE1 3.39Å; C248-H399 WeakPolarHBondContact CB-ND1 3.34Å; C248-H399 PolarHBondContact SG-ND1 2.67Å; C248-H399 VanDerWaalsContact SG-ND1 3.39Å; G364-H399 CarbonylContact C-O 3.58Å; G364-H399 VanDerWaalsContact CA-O 3.27Å; G364-H399 WeakPolarHBondContact CA-O 3.38Å; F365-H399 HydrophobicContact CD1-CB 4.25Å; F365-H399 HydrophobicContact CE1-CB 3.8Å; F365-H399 AromaticContact CE1-CD2 3.51Å; F365-H399 AromaticContact CE1-CG 4Å; F365-H399 HydrophobicContact CZ-CB 4.36Å; F365-H399 AromaticContact CZ-CD2 3.89Å; F365-H399 PolarHBondContact N-O 3.27Å; F365-H399 PolarHBondContact O-N 3.35Å; V367-H399 HydrophobicContact CG2-CB 3.37Å; H399-N421 PolarHBondContact NE2-OD1 3.09Å; H399-W423 AromaticContact CE1-NE1 3.83Å; H399-W423 AromaticContact NE2-CE2 3.85Å; H399-W423 AromaticContact NE2-CZ2 3.91Å; H399-W423 AromaticContact NE2-NE1 3.72Å
400	A	96.1	Very high	86.8	Confident	5 Å²	5	35.7 Å²	35.7	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.6	177.9	0	0	0	0	0	110.9	C248 A252 P293 V363	C248-A400 HydrophobicContact CB-CB 4.33Å; C248-A400 PolarHBondContact SG-N 3.22Å; A252-A400 HydrophobicContact CB-CB 4.02Å; P293-A400 HydrophobicContact CG-CB 3.65Å; V363-A400 WeakPolarHBondContact O-CA 3.45Å
401	V	98.5	Very high	87.8	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.5	-173.8	-71.4	0	0	0	0	110.2	P362 V363 F365 V419 F433	P362-V401 CarbonylContact C-O 3.58Å; P362-V401 VanDerWaalsContact CA-O 3.3Å; P362-V401 WeakPolarHBondContact CA-O 3.33Å; V363-V401 HydrophobicContact CG2-CG2 3.68Å; V363-V401 PolarHBondContact N-O 3.34Å; V363-V401 PolarHBondContact O-N 3.18Å; F365-V401 HydrophobicContact CD1-CG1 4.45Å; F365-V401 HydrophobicContact CD1-CG2 3.72Å; F365-V401 HydrophobicContact CE1-CB 4.44Å; F365-V401 HydrophobicContact CE1-CG1 3.74Å; F365-V401 HydrophobicContact CE1-CG2 3.79Å; V401-V419 HydrophobicContact CB-CG1 3.52Å; V401-V419 HydrophobicContact CG1-CG1 4.41Å; V401-V419 HydrophobicContact CG2-CG1 3.34Å; V401-F433 HydrophobicContact CG1-CE1 4.26Å; V401-F433 HydrophobicContact CG2-CZ 4.28Å
402	L	98.9	Very high	88.8	Confident	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.3	-178.1	-179.2	77.4	0	0	0	110.8	A255 A256 P360 V404 V419 K420	A255-L402 HydrophobicContact CB-CD2 3.92Å; A256-L402 HydrophobicContact CB-CD1 3.51Å; P360-L402 HydrophobicContact CB-CD1 3.81Å; P360-L402 HydrophobicContact CB-CD2 3.97Å; P360-L402 HydrophobicContact CB-CG 3.96Å; L402-V404 HydrophobicContact CD2-CG1 3.62Å; L402-V404 HydrophobicContact CG-CG1 3.83Å; L402-V419 CarbonylContact O-C 3.57Å; L402-V419 WeakPolarHBondContact O-CA 3.25Å; L402-V419 WeakPolarHBondContact O-CG1 3.45Å; L402-K420 HydrophobicContact CB-CB 4.09Å; L402-K420 HydrophobicContact CB-CG 4.44Å; L402-K420 HydrophobicContact CD2-CB 4.41Å; L402-K420 HydrophobicContact CD2-CD 3.99Å; L402-K420 PolarHBondContact N-O 3.09Å; L402-K420 VanDerWaalsContact N-O 3.08Å; L402-K420 PolarHBondContact O-N 2.71Å
403	L	98.9	Very high	90.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.6	173	-167.1	153.8	0	0	0	109.4	M351 L355 P360 F361 V363 W417	M351-L403 HydrophobicContact CE-CD1 3.26Å; L355-L403 HydrophobicContact CB-CD2 4.49Å; L355-L403 HydrophobicContact CD1-CD2 3.72Å; L355-L403 HydrophobicContact CD2-CD2 3.67Å; L355-L403 HydrophobicContact CG-CD2 4.16Å; P360-L403 VanDerWaalsContact CA-O 3.32Å; P360-L403 WeakPolarHBondContact CA-O 3.43Å; P360-L403 WeakPolarHBondContact CB-O 3.36Å; F361-L403 HydrophobicContact CD2-CB 4.46Å; F361-L403 HydrophobicContact CE1-CD2 4.26Å; F361-L403 HydrophobicContact CE2-CB 4.17Å; F361-L403 HydrophobicContact CE2-CD1 4.13Å; F361-L403 HydrophobicContact CZ-CB 4.42Å; F361-L403 HydrophobicContact CZ-CD1 4.13Å; F361-L403 HydrophobicContact CZ-CD2 3.97Å; F361-L403 HydrophobicContact CZ-CG 4.42Å; F361-L403 PolarHBondContact N-O 2.85Å; F361-L403 PolarHBondContact O-N 3.45Å; V363-L403 HydrophobicContact CG1-CB 3.97Å; V363-L403 HydrophobicContact CG1-CD1 3.91Å; V363-L403 HydrophobicContact CG2-CB 4.28Å; L403-W417 HydrophobicContact CD1-CB 4.42Å; L403-W417 HydrophobicContact CD1-CD2 3.77Å; L403-W417 HydrophobicContact CD1-CE3 3.63Å; L403-W417 HydrophobicContact CD1-CG 4.13Å; L403-W417 HydrophobicContact CD1-CZ3 4.17Å; L403-W417 HydrophobicContact CD2-CE3 3.76Å; L403-W417 HydrophobicContact CD2-CZ3 3.98Å; L403-W417 HydrophobicContact CG-CD2 4.5Å; L403-W417 HydrophobicContact CG-CE3 4.01Å
404	V	98.8	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	-16.8	-172	-63.4	0	0	0	0	113.7	W225 T226 V236 P360 L402 K418 K420 Y432	W225-V404 WeakPolarHBondContact CB-O 3.19Å; W225-V404 PolarHBondContact N-O 3.41Å; T226-V404 HydrophobicContact CG2-CB 4.3Å; T226-V404 HydrophobicContact CG2-CG2 3.96Å; V236-V404 HydrophobicContact CG1-CG1 4.06Å; V236-V404 HydrophobicContact CG2-CB 4.26Å; V236-V404 HydrophobicContact CG2-CG1 3.97Å; P360-V404 HydrophobicContact CB-CG1 4.28Å; P360-V404 HydrophobicContact CG-CG1 4.45Å; L402-V404 HydrophobicContact CD2-CG1 3.62Å; L402-V404 HydrophobicContact CG-CG1 3.83Å; V404-K418 HydrophobicContact CG2-CB 4.31Å; V404-K418 HydrophobicContact CG2-CD 4.3Å; V404-K418 HydrophobicContact CG2-CG 3.91Å; V404-K418 WeakPolarHBondContact CG2-O 2.97Å; V404-K418 PolarHBondContact N-O 3.42Å; V404-K420 HydrophobicContact CG1-CB 4.01Å; V404-Y432 HydrophobicContact CG2-CD1 4.22Å; V404-Y432 HydrophobicContact CG2-CE1 4.12Å
405	G	98.7	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	174.6	-175.4	0	0	0	0	0	113.1	F223 K418	F223-G405 CarbonylContact O-C 3.6Å; F223-G405 WeakPolarHBondContact O-CA 3.22Å; G405-K418 PolarHBondContact N-O 3.33Å; G405-K418 PolarHBondContact O-N 2.03Å
406	Y	98.6	Very high	94.4	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.6	167.1	63.1	-94	0	0	0	110.5	P220 E222 F223 Q352 L355 I356 Y416 W417	P220-Y406 WeakPolarHBondContact O-CE2 3.32Å; P220-Y406 PolarHBondContact O-OH 3.46Å; P220-Y406 VanDerWaalsContact O-OH 3.11Å; E222-Y406 WeakPolarHBondContact CA-O 3.45Å; F223-Y406 HydrophobicContact CB-CD1 4.25Å; F223-Y406 HydrophobicContact CB-CE1 3.72Å; F223-Y406 HydrophobicContact CB-CE2 4.37Å; F223-Y406 PolarHBondContact N-O 2.84Å; F223-Y406 PolarHBondContact O-N 3.37Å; F223-Y406 VanDerWaalsContact O-O 3.12Å; Q352-Y406 HydrophobicContact CB-CE1 4.06Å; Q352-Y406 HydrophobicContact CG-CD1 4.22Å; Q352-Y406 HydrophobicContact CG-CE1 3.95Å; Q352-Y406 HydrophobicContact CG-CE2 4.49Å; Q352-Y406 VanDerWaalsContact NE2-CZ 3.32Å; L355-Y406 HydrophobicContact CD2-CD1 3.74Å; L355-Y406 HydrophobicContact CD2-CE1 4.13Å; I356-Y406 HydrophobicContact CD1-CE1 4.2Å; I356-Y406 WeakPolarHBondContact CD1-OH 3.26Å; I356-Y406 HydrophobicContact CG1-CE1 4.48Å; Y406-Y416 CarbonylContact C-O 3.58Å; Y406-Y416 WeakPolarHBondContact CA-O 3.46Å; Y406-Y416 VanDerWaalsContact CB-O 3.25Å; Y406-Y416 WeakPolarHBondContact CB-O 3.29Å; Y406-W417 HydrophobicContact CD1-CE3 4.35Å; Y406-W417 AromaticContact CD1-CZ3 3.72Å; Y406-W417 HydrophobicContact CD1-CZ3 3.72Å; Y406-W417 HydrophobicContact CG-CE3 4.33Å; Y406-W417 AromaticContact CG-CZ3 3.99Å; Y406-W417 HydrophobicContact CG-CZ3 3.99Å
407	G	98.2	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	-160.4	175.9	0	0	0	0	0	112.4	P415 Y416 R437	G407-P415 WeakPolarHBondContact O-CA 3.16Å; G407-Y416 PolarHBondContact N-O 2.93Å; G407-Y416 PolarHBondContact O-N 2.81Å; G407-R437 PolarHBondContact O-NH2 3.26Å
408	V	97.8	Very high	96.7	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.17	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.9	173.1	-180	0	0	0	0	107.2	L221 K410 G413 E414 P415	L221-V408 HydrophobicContact CD1-CG2 3.78Å; L221-V408 HydrophobicContact CD2-CG2 4.37Å; L221-V408 HydrophobicContact CG-CG2 3.95Å; V408-K410 PolarHBondContact O-N 2.83Å; V408-G413 WeakPolarHBondContact CG1-O 3.19Å; V408-E414 CarbonylContact C-O 3.48Å; V408-E414 WeakPolarHBondContact CA-O 2.88Å; V408-P415 HydrophobicContact CG2-CB 4.45Å
409	D	96.9	Very high	97.3	Very high	31 Å²	31	32.4 Å²	32.4	17%	0.166	18%	0.179	C	C	.	.			trans	-61.5	126.3	174.6	-173.3	82.1	0	0	0	109.4	I378 L411 S412 G413 E414 R434	I378-D409 HydrophobicContact CD1-CB 4.29Å; I378-D409 HydrophobicContact CG1-CB 4.11Å; D409-L411 VanDerWaalsContact C-N 3.26Å; D409-L411 PolarHBondContact O-N 3.02Å; D409-L411 WeakPolarHBondContact OD2-CA 3.29Å; D409-L411 WeakPolarHBondContact OD2-CB 3.42Å; D409-L411 PolarHBondContact OD2-N 2.8Å; D409-S412 WeakPolarHBondContact CB-OG 3.43Å; D409-S412 PolarHBondContact OD2-N 2.86Å; D409-S412 PolarHBondContact OD2-OG 2.02Å; D409-G413 WeakPolarHBondContact O-CA 2.9Å; D409-G413 PolarHBondContact O-N 2.96Å; D409-E414 PolarHBondContact N-O 2.87Å; D409-R434 IonicContact OD1-NH1 2.79Å; D409-R434 PolarHBondContact OD1-NH1 3.23Å
410	K	95.1	Very high	97.6	Very high	149 Å²	149	32.9 Å²	32.9	65%	0.648	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.5	-172.2	-56.9	-59.8	-178.8	-168.9	0	112.8	E222 V408	E222-K410 IonicContact OE1-NZ 3.41Å; E222-K410 WeakPolarHBondContact OE2-CE 3.45Å; E222-K410 IonicContact OE2-NZ 3.54Å; E222-K410 PolarHBondContact OE2-NZ 2.98Å; V408-K410 PolarHBondContact O-N 2.83Å
411	L	93.6	Very high	97.7	Very high	171 Å²	171	32.8 Å²	32.8	90%	0.895	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-48.3	-177.7	-63.8	174.5	0	0	0	111.1	D409	D409-L411 VanDerWaalsContact C-N 3.26Å; D409-L411 PolarHBondContact O-N 3.02Å; D409-L411 WeakPolarHBondContact OD2-CA 3.29Å; D409-L411 WeakPolarHBondContact OD2-CB 3.42Å; D409-L411 PolarHBondContact OD2-N 2.8Å
412	S	94.7	Very high	97.7	Very high	65 Å²	65	33.1 Å²	33.1	46%	0.455	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-21.6	-178.4	68.9	0	0	0	0	113.8	D409 E414	D409-S412 WeakPolarHBondContact CB-OG 3.43Å; D409-S412 PolarHBondContact OD2-N 2.86Å; D409-S412 PolarHBondContact OD2-OG 2.02Å; S412-E414 WeakPolarHBondContact CB-OE2 3.31Å; S412-E414 PolarHBondContact O-N 2.67Å; S412-E414 VanDerWaalsContact OG-CB 3.32Å; S412-E414 WeakPolarHBondContact OG-CB 3.26Å; S412-E414 VanDerWaalsContact OG-CG 3.28Å; S412-E414 WeakPolarHBondContact OG-CG 3.35Å; S412-E414 PolarHBondContact OG-N 2.79Å; S412-E414 PolarHBondContact OG-OE2 3.09Å
413	G	96	Very high	97.6	Very high	47 Å²	47	33.2 Å²	33.2	49%	0.485	18%	0.182	S	C	.	.			trans	75.8	7.6	-170.6	0	0	0	0	0	113.5	V408 D409	V408-G413 WeakPolarHBondContact CG1-O 3.19Å; D409-G413 WeakPolarHBondContact O-CA 2.9Å; D409-G413 PolarHBondContact O-N 2.96Å
414	E	96.4	Very high	97.6	Very high	57 Å²	57	33.8 Å²	33.8	27%	0.266	19%	0.188	S	C	.	.			trans	-76.2	126.6	-177.1	-69.7	171.6	134.7	0	0	111.3	S169 I378 V408 D409 S412	S169-E414 PolarHBondContact OG-OE1 3.31Å; S169-E414 PolarHBondContact OG-OE2 2.04Å; I378-E414 HydrophobicContact CG1-CB 4.42Å; V408-E414 CarbonylContact C-O 3.48Å; V408-E414 WeakPolarHBondContact CA-O 2.88Å; D409-E414 PolarHBondContact N-O 2.87Å; S412-E414 WeakPolarHBondContact CB-OE2 3.31Å; S412-E414 PolarHBondContact O-N 2.67Å; S412-E414 VanDerWaalsContact OG-CB 3.32Å; S412-E414 WeakPolarHBondContact OG-CB 3.26Å; S412-E414 VanDerWaalsContact OG-CG 3.28Å; S412-E414 WeakPolarHBondContact OG-CG 3.35Å; S412-E414 PolarHBondContact OG-N 2.79Å; S412-E414 PolarHBondContact OG-OE2 3.09Å
415	P	98	Very high	97.6	Very high	42 Å²	42	37.6 Å²	37.6	27%	0.273	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.7	173.7	30.8	-34.6	0	0	0	110.6	G407 V408 R437	G407-P415 WeakPolarHBondContact O-CA 3.16Å; V408-P415 HydrophobicContact CG2-CB 4.45Å; P415-R437 HydrophobicContact CB-CB 4.23Å; P415-R437 VanDerWaalsContact CB-NH2 3.34Å; P415-R437 WeakPolarHBondContact CG-O 3.37Å; P415-R437 PolarHBondContact O-N 3.27Å
416	Y	98.7	Very high	97.5	Very high	37 Å²	37	44.6 Å²	44.6	15%	0.145	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.6	179.1	65.8	-98.5	0	0	0	113.2	I378 Y406 G407 K418 R434 I435 R437	I378-Y416 HydrophobicContact CD1-CD1 3.52Å; I378-Y416 HydrophobicContact CD1-CE1 4.34Å; I378-Y416 HydrophobicContact CD1-CG 3.71Å; I378-Y416 HydrophobicContact CG1-CD1 4.47Å; Y406-Y416 CarbonylContact C-O 3.58Å; Y406-Y416 WeakPolarHBondContact CA-O 3.46Å; Y406-Y416 VanDerWaalsContact CB-O 3.25Å; Y406-Y416 WeakPolarHBondContact CB-O 3.29Å; G407-Y416 PolarHBondContact N-O 2.93Å; G407-Y416 PolarHBondContact O-N 2.81Å; Y416-K418 HydrophobicContact CD2-CB 4.48Å; Y416-K418 HydrophobicContact CE2-CB 4.26Å; Y416-R434 HydrophobicContact CD2-CB 3.92Å; Y416-R434 HydrophobicContact CD2-CG 3.66Å; Y416-R434 HydrophobicContact CE2-CG 3.91Å; Y416-R434 HydrophobicContact CG-CB 4.07Å; Y416-R434 HydrophobicContact CG-CG 4.21Å; Y416-I435 CarbonylContact C-O 3.5Å; Y416-I435 WeakPolarHBondContact CA-O 3.41Å; Y416-I435 WeakPolarHBondContact CB-O 3.48Å; Y416-R437 PolarHBondContact O-NE 3.18Å
417	W	98.8	Very high	97.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.2	157.2	-64.8	112.5	0	0	0	109.1	E348 M351 Q352 L403 Y406 V419 R434 I435 R437 E445	E348-W417 HydrophobicContact CB-CZ2 4.39Å; E348-W417 HydrophobicContact CG-CH2 4.48Å; E348-W417 HydrophobicContact CG-CZ2 3.79Å; M351-W417 HydrophobicContact CB-CH2 3.72Å; M351-W417 HydrophobicContact CB-CZ2 4.04Å; M351-W417 HydrophobicContact CB-CZ3 4.49Å; M351-W417 HydrophobicContact CE-CD2 4.48Å; M351-W417 HydrophobicContact CE-CH2 4.46Å; M351-W417 HydrophobicContact CE-CZ2 4.02Å; M351-W417 HydrophobicContact SD-CZ2 4.44Å; Q352-W417 HydrophobicContact CB-CH2 4.48Å; Q352-W417 HydrophobicContact CG-CH2 3.56Å; Q352-W417 HydrophobicContact CG-CZ2 4.48Å; Q352-W417 HydrophobicContact CG-CZ3 4.16Å; L403-W417 HydrophobicContact CD1-CB 4.42Å; L403-W417 HydrophobicContact CD1-CD2 3.77Å; L403-W417 HydrophobicContact CD1-CE3 3.63Å; L403-W417 HydrophobicContact CD1-CG 4.13Å; L403-W417 HydrophobicContact CD1-CZ3 4.17Å; L403-W417 HydrophobicContact CD2-CE3 3.76Å; L403-W417 HydrophobicContact CD2-CZ3 3.98Å; L403-W417 HydrophobicContact CG-CD2 4.5Å; L403-W417 HydrophobicContact CG-CE3 4.01Å; Y406-W417 HydrophobicContact CD1-CE3 4.35Å; Y406-W417 AromaticContact CD1-CZ3 3.72Å; Y406-W417 HydrophobicContact CD1-CZ3 3.72Å; Y406-W417 HydrophobicContact CG-CE3 4.33Å; Y406-W417 AromaticContact CG-CZ3 3.99Å; Y406-W417 HydrophobicContact CG-CZ3 3.99Å; W417-V419 HydrophobicContact CB-CG2 4.14Å; W417-R434 CarbonylContact O-C 3.59Å; W417-R434 WeakPolarHBondContact O-CA 3.1Å; W417-I435 HydrophobicContact CB-CG2 3.91Å; W417-I435 PolarHBondContact N-O 2.83Å; W417-I435 PolarHBondContact O-N 3.3Å; W417-R437 HydrophobicContact CD2-CB 4.33Å; W417-R437 HydrophobicContact CD2-CG 4.07Å; W417-R437 VanDerWaalsContact CE2-CG 3.46Å; W417-R437 HydrophobicContact CG-CB 4.07Å; W417-R437 HydrophobicContact CG-CG 4.34Å; W417-R437 VanDerWaalsContact CZ2-CD 3.43Å; W417-R437 HydrophobicContact CZ2-CG 3.76Å; W417-E445 PolarHBondContact NE1-OE1 3.02Å
418	K	98.8	Very high	97.5	Very high	38 Å²	38	44.7 Å²	44.7	17%	0.165	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.8	168.6	-176.1	177.9	176.4	173.7	0	108.8	D224 T226 V404 G405 Y416	D224-K418 IonicContact OD1-NZ 3.26Å; D224-K418 WeakPolarHBondContact OD2-CD 3.43Å; D224-K418 WeakPolarHBondContact OD2-CE 2.97Å; D224-K418 IonicContact OD2-NZ 3.87Å; D224-K418 PolarHBondContact OD2-NZ 3.35Å; T226-K418 PolarHBondContact OG1-NZ 2.9Å; V404-K418 HydrophobicContact CG2-CB 4.31Å; V404-K418 HydrophobicContact CG2-CD 4.3Å; V404-K418 HydrophobicContact CG2-CG 3.91Å; V404-K418 WeakPolarHBondContact CG2-O 2.97Å; V404-K418 PolarHBondContact N-O 3.42Å; G405-K418 PolarHBondContact N-O 3.33Å; G405-K418 PolarHBondContact O-N 2.03Å; Y416-K418 HydrophobicContact CD2-CB 4.48Å; Y416-K418 HydrophobicContact CE2-CB 4.26Å
419	V	98.9	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.9	-168	-174.3	0	0	0	0	110.1	V401 L402 W417 Y432 F433 I435	V401-V419 HydrophobicContact CB-CG1 3.52Å; V401-V419 HydrophobicContact CG1-CG1 4.41Å; V401-V419 HydrophobicContact CG2-CG1 3.34Å; L402-V419 CarbonylContact O-C 3.57Å; L402-V419 WeakPolarHBondContact O-CA 3.25Å; L402-V419 WeakPolarHBondContact O-CG1 3.45Å; W417-V419 HydrophobicContact CB-CG2 4.14Å; V419-Y432 CarbonylContact O-C 3.5Å; V419-Y432 VanDerWaalsContact O-CA 3.25Å; V419-Y432 WeakPolarHBondContact O-CA 3Å; V419-Y432 WeakPolarHBondContact O-CB 3.34Å; V419-F433 HydrophobicContact CB-CD1 3.92Å; V419-F433 HydrophobicContact CB-CD2 4.36Å; V419-F433 HydrophobicContact CB-CE1 3.49Å; V419-F433 VanDerWaalsContact CB-CE1 3.49Å; V419-F433 HydrophobicContact CB-CE2 3.97Å; V419-F433 HydrophobicContact CB-CG 4.34Å; V419-F433 HydrophobicContact CB-CZ 3.54Å; V419-F433 HydrophobicContact CG1-CD1 4.18Å; V419-F433 HydrophobicContact CG1-CE1 3.32Å; V419-F433 HydrophobicContact CG1-CE2 4.32Å; V419-F433 HydrophobicContact CG1-CZ 3.42Å; V419-F433 VanDerWaalsContact CG1-CZ 3.42Å; V419-F433 HydrophobicContact CG2-CE1 4.46Å; V419-F433 HydrophobicContact CG2-CE2 4.13Å; V419-F433 HydrophobicContact CG2-CZ 4.02Å; V419-F433 PolarHBondContact N-O 3.18Å; V419-F433 PolarHBondContact O-N 3.18Å; V419-I435 HydrophobicContact CG2-CG2 4.03Å
420	K	98.8	Very high	97.6	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.057	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.9	172.6	164.6	169.3	-177.6	-176.6	0	109.3	V236 T237 P238 I239 L402 V404 Y432	V236-K420 HydrophobicContact CG1-CD 3.88Å; T237-K420 VanDerWaalsContact C-NZ 3.34Å; T237-K420 PolarHBondContact O-NZ 2.98Å; T237-K420 PolarHBondContact OG1-NZ 2.97Å; P238-K420 WeakPolarHBondContact O-CE 3Å; P238-K420 PolarHBondContact O-NZ 3.28Å; I239-K420 HydrophobicContact CD1-CB 4.43Å; I239-K420 HydrophobicContact CD1-CD 4.02Å; I239-K420 HydrophobicContact CD1-CG 3.64Å; L402-K420 HydrophobicContact CB-CB 4.09Å; L402-K420 HydrophobicContact CB-CG 4.44Å; L402-K420 HydrophobicContact CD2-CB 4.41Å; L402-K420 HydrophobicContact CD2-CD 3.99Å; L402-K420 PolarHBondContact N-O 3.09Å; L402-K420 VanDerWaalsContact N-O 3.08Å; L402-K420 PolarHBondContact O-N 2.71Å; V404-K420 HydrophobicContact CG1-CB 4.01Å; K420-Y432 HydrophobicContact CB-CD1 3.89Å; K420-Y432 HydrophobicContact CB-CE1 3.65Å; K420-Y432 HydrophobicContact CG-CE1 4.29Å
421	N	98.6	Very high	97.8	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.243	C	C	.	.			trans	-96.9	172.4	175.4	-158.2	-1.7	0	0	0	111.1	H399 W423 W427 G431 F433	H399-N421 PolarHBondContact NE2-OD1 3.09Å; N421-W423 VanDerWaalsContact ND2-CD2 3.28Å; N421-W423 VanDerWaalsContact ND2-CE3 3.28Å; N421-W427 HydrophobicContact CB-CE3 4.21Å; N421-W427 HydrophobicContact CB-CZ3 3.82Å; N421-W427 WeakPolarHBondContact ND2-CH2 3.38Å; N421-W427 WeakPolarHBondContact ND2-CZ3 3.47Å; N421-G431 WeakPolarHBondContact CB-O 3.46Å; N421-G431 PolarHBondContact N-O 2.81Å; N421-F433 HydrophobicContact CB-CD1 4.23Å; N421-F433 HydrophobicContact CB-CE1 4.27Å
422	S	98.2	Very high	98	Very high	7 Å²	7	38 Å²	38	5%	0.049	21%	0.208	C	C	.	.	S	Bend	trans	-117.3	35.7	179.4	42.5	0	0	0	0	112	R240 N241 Q242	R240-S422 CarbonylContact O-C 3.47Å; R240-S422 WeakPolarHBondContact O-CA 3.37Å; N241-S422 CarbonylContact C-O 3.4Å; N241-S422 VanDerWaalsContact CA-O 3.32Å; N241-S422 WeakPolarHBondContact CA-O 3.05Å; Q242-S422 WeakPolarHBondContact CG-O 2.92Å; Q242-S422 PolarHBondContact N-O 3.27Å; Q242-S422 PolarHBondContact OE1-OG 3.01Å
423	W	97.9	Very high	98.2	Very high	6 Å²	6	34.9 Å²	34.9	2%	0.023	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-112.3	14.2	-174.6	-73.8	1.4	0	0	0	114	R189 V367 F371 H399 N421 W427	R189-W423 HydrophobicContact CG-CZ2 4.35Å; R189-W423 PolarHBondContact O-NE1 2.85Å; V367-W423 HydrophobicContact CG1-CH2 4.19Å; F371-W423 AromaticContact CD1-CH2 3.62Å; F371-W423 HydrophobicContact CD1-CH2 3.62Å; F371-W423 AromaticContact CD1-CZ3 3.68Å; F371-W423 HydrophobicContact CD1-CZ3 3.68Å; F371-W423 HydrophobicContact CE1-CE3 4.43Å; F371-W423 AromaticContact CE1-CH2 3.64Å; F371-W423 HydrophobicContact CE1-CH2 3.64Å; F371-W423 AromaticContact CE1-CZ3 3.56Å; F371-W423 HydrophobicContact CE1-CZ3 3.56Å; H399-W423 AromaticContact CE1-NE1 3.83Å; H399-W423 AromaticContact NE2-CE2 3.85Å; H399-W423 AromaticContact NE2-CZ2 3.91Å; H399-W423 AromaticContact NE2-NE1 3.72Å; N421-W423 VanDerWaalsContact ND2-CD2 3.28Å; N421-W423 VanDerWaalsContact ND2-CE3 3.28Å; W423-W427 HydrophobicContact CB-CB 4.31Å; W423-W427 HydrophobicContact CB-CD2 4.37Å; W423-W427 HydrophobicContact CB-CG 4.26Å; W423-W427 AromaticContact CE3-CD2 3.83Å; W423-W427 HydrophobicContact CE3-CD2 3.83Å; W423-W427 AromaticContact CE3-CE2 3.48Å; W423-W427 VanDerWaalsContact CE3-CE2 3.48Å; W423-W427 HydrophobicContact CE3-CE3 4.47Å; W423-W427 HydrophobicContact CE3-CG 4.18Å; W423-W427 HydrophobicContact CE3-CH2 4.49Å; W423-W427 AromaticContact CE3-CZ2 3.82Å; W423-W427 HydrophobicContact CE3-CZ2 3.82Å; W423-W427 AromaticContact CE3-NE1 3.62Å; W423-W427 AromaticContact CZ3-CE2 3.8Å; W423-W427 AromaticContact CZ3-CZ2 3.79Å; W423-W427 HydrophobicContact CZ3-CZ2 3.79Å; W423-W427 AromaticContact CZ3-NE1 3.89Å
424	G	98	Very high	98.4	Very high	11 Å²	11	34.8 Å²	34.8	11%	0.113	17%	0.171	C	C	.	.			trans	87.1	164	-178.6	0	0	0	0	0	113.8	I239 R240 E426 G431	I239-G424 VanDerWaalsContact CG2-C 3.47Å; R240-G424 PolarHBondContact O-N 3.14Å; R240-G424 VanDerWaalsContact O-N 3.11Å; G424-E426 VanDerWaalsContact C-N 3.32Å; G424-E426 PolarHBondContact O-N 2.88Å; G424-G431 VanDerWaalsContact O-CA 3.31Å; G424-G431 WeakPolarHBondContact O-CA 3.46Å
425	V	98.2	Very high	98.5	Very high	81 Å²	81	32 Å²	32	49%	0.491	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.8	-175.5	-68.5	0	0	0	0	113.7	I239 W427 Q430 G431	I239-V425 HydrophobicContact CB-CG1 3.68Å; I239-V425 HydrophobicContact CG1-CG1 4.32Å; I239-V425 HydrophobicContact CG2-CG1 3.9Å; V425-W427 VanDerWaalsContact C-N 3.29Å; V425-W427 PolarHBondContact O-N 2.94Å; V425-Q430 CarbonylContact O-C 3.52Å; V425-Q430 WeakPolarHBondContact O-CA 3.41Å; V425-G431 PolarHBondContact O-N 2.97Å
426	E	97.4	Very high	98.5	Very high	146 Å²	146	31.6 Å²	31.6	68%	0.682	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.9	-179.4	-57.4	-55	136.6	0	0	112.3	Y175 G424	Y175-E426 WeakPolarHBondContact CE1-O 3.28Å; G424-E426 VanDerWaalsContact C-N 3.32Å; G424-E426 PolarHBondContact O-N 2.88Å
427	W	98.3	Very high	98.4	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	15%	0.149	C	C	.	.	S	Bend	trans	-84	141.3	-179.5	-178	87.1	0	0	0	111.6	Y175 F371 Q372 Y374 N421 W423 V425 G431 F433	Y175-W427 AromaticContact CE2-CD1 3.82Å; Y175-W427 AromaticContact CZ-CD1 3.95Å; F371-W427 HydrophobicContact CD1-CZ2 4.22Å; F371-W427 AromaticContact CE1-CH2 3.78Å; F371-W427 HydrophobicContact CE1-CH2 3.78Å; F371-W427 AromaticContact CE1-CZ2 3.69Å; F371-W427 HydrophobicContact CE1-CZ2 3.69Å; F371-W427 AromaticContact CE2-CH2 3.92Å; F371-W427 HydrophobicContact CE2-CH2 3.92Å; F371-W427 HydrophobicContact CE2-CZ2 4.16Å; F371-W427 AromaticContact CZ-CH2 3.35Å; F371-W427 HydrophobicContact CZ-CH2 3.35Å; F371-W427 AromaticContact CZ-CZ2 3.68Å; F371-W427 HydrophobicContact CZ-CZ2 3.68Å; F371-W427 HydrophobicContact CZ-CZ3 4.49Å; Q372-W427 PolarHBondContact O-NE1 2.94Å; Y374-W427 AromaticContact CD1-CH2 3.72Å; Y374-W427 HydrophobicContact CD1-CH2 3.72Å; Y374-W427 AromaticContact CD1-CZ2 3.97Å; Y374-W427 HydrophobicContact CD1-CZ2 3.97Å; Y374-W427 HydrophobicContact CD1-CZ3 4.25Å; Y374-W427 HydrophobicContact CG-CH2 4.35Å; Y374-W427 HydrophobicContact CG-CZ2 4.32Å; N421-W427 HydrophobicContact CB-CE3 4.21Å; N421-W427 HydrophobicContact CB-CZ3 3.82Å; N421-W427 WeakPolarHBondContact ND2-CH2 3.38Å; N421-W427 WeakPolarHBondContact ND2-CZ3 3.47Å; W423-W427 HydrophobicContact CB-CB 4.31Å; W423-W427 HydrophobicContact CB-CD2 4.37Å; W423-W427 HydrophobicContact CB-CG 4.26Å; W423-W427 AromaticContact CE3-CD2 3.83Å; W423-W427 HydrophobicContact CE3-CD2 3.83Å; W423-W427 AromaticContact CE3-CE2 3.48Å; W423-W427 VanDerWaalsContact CE3-CE2 3.48Å; W423-W427 HydrophobicContact CE3-CE3 4.47Å; W423-W427 HydrophobicContact CE3-CG 4.18Å; W423-W427 HydrophobicContact CE3-CH2 4.49Å; W423-W427 AromaticContact CE3-CZ2 3.82Å; W423-W427 HydrophobicContact CE3-CZ2 3.82Å; W423-W427 AromaticContact CE3-NE1 3.62Å; W423-W427 AromaticContact CZ3-CE2 3.8Å; W423-W427 AromaticContact CZ3-CZ2 3.79Å; W423-W427 HydrophobicContact CZ3-CZ2 3.79Å; W423-W427 AromaticContact CZ3-NE1 3.89Å; V425-W427 VanDerWaalsContact C-N 3.29Å; V425-W427 PolarHBondContact O-N 2.94Å; W427-G431 WeakPolarHBondContact O-CA 3.46Å; W427-G431 PolarHBondContact O-N 3.24Å; W427-F433 HydrophobicContact CH2-CB 3.93Å; W427-F433 AromaticContact CH2-CD1 3.95Å; W427-F433 HydrophobicContact CH2-CD1 3.95Å; W427-F433 HydrophobicContact CH2-CG 4.13Å; W427-F433 HydrophobicContact CZ3-CB 4.08Å; W427-F433 AromaticContact CZ3-CD1 3.97Å; W427-F433 HydrophobicContact CZ3-CD1 3.97Å; W427-F433 HydrophobicContact CZ3-CG 4.4Å
428	G	98.6	Very high	98.1	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-146.3	177.2	0	0	0	0	0	114.4	Y175 K375 Q430	Y175-G428 PolarHBondContact OH-N 3.46Å; K375-G428 CarbonylContact O-C 3.45Å; K375-G428 VanDerWaalsContact O-CA 3.25Å; K375-G428 WeakPolarHBondContact O-CA 3.36Å; G428-Q430 VanDerWaalsContact C-N 3.3Å; G428-Q430 PolarHBondContact O-N 2.97Å
429	E	98.6	Very high	97.7	Very high	46 Å²	46	33.7 Å²	33.7	22%	0.215	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-84.7	71.8	179.2	-61.4	-178.3	160.1	0	0	109.3	Y374 K375 E376 G377 G431 Y432 R434	Y374-E429 HydrophobicContact CE1-CG 4.22Å; Y374-E429 VanDerWaalsContact OH-CD 3.26Å; Y374-E429 PolarHBondContact OH-OE1 2.97Å; K375-E429 WeakPolarHBondContact O-CG 3.38Å; K375-E429 PolarHBondContact O-N 3.39Å; E376-E429 WeakPolarHBondContact CA-OE1 3.44Å; E376-E429 HydrophobicContact CB-CG 3.88Å; G377-E429 PolarHBondContact N-OE1 3.31Å; E429-G431 VanDerWaalsContact C-N 3.32Å; E429-G431 PolarHBondContact O-N 2.89Å; E429-Y432 PolarHBondContact N-O 3.5Å; E429-Y432 WeakPolarHBondContact O-CB 3.3Å; E429-Y432 PolarHBondContact O-N 3.16Å; E429-Y432 VanDerWaalsContact O-N 3.13Å; E429-R434 IonicContact OE1-CZ 2.78Å; E429-R434 VanDerWaalsContact OE1-CZ 3.3Å; E429-R434 IonicContact OE1-NE 2.97Å; E429-R434 PolarHBondContact OE1-NE 2.89Å; E429-R434 IonicContact OE1-NH2 2.78Å; E429-R434 PolarHBondContact OE1-NH2 3.41Å; E429-R434 IonicContact OE2-NE 3.22Å; E429-R434 PolarHBondContact OE2-NE 2.86Å; E429-R434 VanDerWaalsContact OE2-NE 3.09Å
430	Q	98.2	Very high	97.4	Very high	156 Å²	156	34.9 Å²	34.9	73%	0.729	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	41.2	-174.8	-56.9	178.9	30.1	0	0	113.1	I239 V425 G428	I239-Q430 WeakPolarHBondContact CG1-O 3.5Å; V425-Q430 CarbonylContact O-C 3.52Å; V425-Q430 WeakPolarHBondContact O-CA 3.41Å; G428-Q430 VanDerWaalsContact C-N 3.3Å; G428-Q430 PolarHBondContact O-N 2.97Å
431	G	98.5	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	0.6	-176.2	0	0	0	0	0	115.4	I239 N421 G424 V425 W427 E429	I239-G431 WeakPolarHBondContact CD1-O 3.19Å; N421-G431 WeakPolarHBondContact CB-O 3.46Å; N421-G431 PolarHBondContact N-O 2.81Å; G424-G431 VanDerWaalsContact O-CA 3.31Å; G424-G431 WeakPolarHBondContact O-CA 3.46Å; V425-G431 PolarHBondContact O-N 2.97Å; W427-G431 WeakPolarHBondContact O-CA 3.46Å; W427-G431 PolarHBondContact O-N 3.24Å; E429-G431 VanDerWaalsContact C-N 3.32Å; E429-G431 PolarHBondContact O-N 2.89Å
432	Y	98.8	Very high	96.9	Very high	36 Å²	36	36.2 Å²	36.2	14%	0.141	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	164.2	171.2	-61.3	-95.7	0	0	0	111.1	T226 I239 V404 V419 K420 E429	T226-Y432 HydrophobicContact CG2-CE1 3.66Å; I239-Y432 HydrophobicContact CD1-CD2 4Å; I239-Y432 HydrophobicContact CD1-CE1 4.21Å; I239-Y432 HydrophobicContact CD1-CE2 3.61Å; I239-Y432 HydrophobicContact CD1-CG 4.45Å; I239-Y432 HydrophobicContact CG1-CD2 4.31Å; I239-Y432 HydrophobicContact CG1-CE2 3.8Å; V404-Y432 HydrophobicContact CG2-CD1 4.22Å; V404-Y432 HydrophobicContact CG2-CE1 4.12Å; V419-Y432 CarbonylContact O-C 3.5Å; V419-Y432 VanDerWaalsContact O-CA 3.25Å; V419-Y432 WeakPolarHBondContact O-CA 3Å; V419-Y432 WeakPolarHBondContact O-CB 3.34Å; K420-Y432 HydrophobicContact CB-CD1 3.89Å; K420-Y432 HydrophobicContact CB-CE1 3.65Å; K420-Y432 HydrophobicContact CG-CE1 4.29Å; E429-Y432 PolarHBondContact N-O 3.5Å; E429-Y432 WeakPolarHBondContact O-CB 3.3Å; E429-Y432 PolarHBondContact O-N 3.16Å; E429-Y432 VanDerWaalsContact O-N 3.13Å
433	F	98.9	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.2	164.8	67.2	-80	0	0	0	110.5	F365 F371 Y374 V401 V419 N421 W427 I435	F365-F433 HydrophobicContact CE1-CZ 4.07Å; F365-F433 HydrophobicContact CE2-CZ 4.42Å; F365-F433 AromaticContact CZ-CZ 3.95Å; F365-F433 HydrophobicContact CZ-CZ 3.95Å; F371-F433 HydrophobicContact CE2-CD1 4.42Å; F371-F433 AromaticContact CE2-CD2 3.74Å; F371-F433 HydrophobicContact CE2-CD2 3.74Å; F371-F433 HydrophobicContact CE2-CE1 4.5Å; F371-F433 AromaticContact CE2-CE2 3.84Å; F371-F433 HydrophobicContact CE2-CE2 3.84Å; F371-F433 HydrophobicContact CE2-CG 4.04Å; F371-F433 HydrophobicContact CE2-CZ 4.21Å; F371-F433 AromaticContact CZ-CD1 3.95Å; F371-F433 HydrophobicContact CZ-CD1 3.95Å; F371-F433 HydrophobicContact CZ-CD2 4.06Å; F371-F433 AromaticContact CZ-CE1 3.86Å; F371-F433 HydrophobicContact CZ-CE1 3.86Å; F371-F433 AromaticContact CZ-CE2 3.97Å; F371-F433 HydrophobicContact CZ-CE2 3.97Å; F371-F433 HydrophobicContact CZ-CG 4.04Å; F371-F433 AromaticContact CZ-CZ 3.86Å; F371-F433 HydrophobicContact CZ-CZ 3.86Å; Y374-F433 HydrophobicContact CD1-CB 3.68Å; Y374-F433 HydrophobicContact CE1-CB 3.23Å; Y374-F433 HydrophobicContact CE2-CB 4.26Å; Y374-F433 HydrophobicContact CG-CB 4.39Å; Y374-F433 WeakPolarHBondContact OH-CA 3.48Å; V401-F433 HydrophobicContact CG1-CE1 4.26Å; V401-F433 HydrophobicContact CG2-CZ 4.28Å; V419-F433 HydrophobicContact CB-CD1 3.92Å; V419-F433 HydrophobicContact CB-CD2 4.36Å; V419-F433 HydrophobicContact CB-CE1 3.49Å; V419-F433 VanDerWaalsContact CB-CE1 3.49Å; V419-F433 HydrophobicContact CB-CE2 3.97Å; V419-F433 HydrophobicContact CB-CG 4.34Å; V419-F433 HydrophobicContact CB-CZ 3.54Å; V419-F433 HydrophobicContact CG1-CD1 4.18Å; V419-F433 HydrophobicContact CG1-CE1 3.32Å; V419-F433 HydrophobicContact CG1-CE2 4.32Å; V419-F433 HydrophobicContact CG1-CZ 3.42Å; V419-F433 VanDerWaalsContact CG1-CZ 3.42Å; V419-F433 HydrophobicContact CG2-CE1 4.46Å; V419-F433 HydrophobicContact CG2-CE2 4.13Å; V419-F433 HydrophobicContact CG2-CZ 4.02Å; V419-F433 PolarHBondContact N-O 3.18Å; V419-F433 PolarHBondContact O-N 3.18Å; N421-F433 HydrophobicContact CB-CD1 4.23Å; N421-F433 HydrophobicContact CB-CE1 4.27Å; W427-F433 HydrophobicContact CH2-CB 3.93Å; W427-F433 AromaticContact CH2-CD1 3.95Å; W427-F433 HydrophobicContact CH2-CD1 3.95Å; W427-F433 HydrophobicContact CH2-CG 4.13Å; W427-F433 HydrophobicContact CZ3-CB 4.08Å; W427-F433 AromaticContact CZ3-CD1 3.97Å; W427-F433 HydrophobicContact CZ3-CD1 3.97Å; W427-F433 HydrophobicContact CZ3-CG 4.4Å; F433-I435 HydrophobicContact CD2-CB 4.05Å; F433-I435 HydrophobicContact CD2-CG2 4.37Å; F433-I435 HydrophobicContact CE2-CB 3.85Å; F433-I435 HydrophobicContact CE2-CD1 4.39Å; F433-I435 HydrophobicContact CE2-CG2 3.88Å
434	R	98.8	Very high	96.4	Very high	44 Å²	44	35.9 Å²	35.9	17%	0.166	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.1	168.6	-63.8	175.2	-75.2	153.6	-0.6	108.4	Y374 G377 I378 Y379 D409 Y416 W417 E429	Y374-R434 PolarHBondContact OH-N 3.34Å; Y374-R434 VanDerWaalsContact OH-N 3.08Å; G377-R434 WeakPolarHBondContact O-CB 3.5Å; I378-R434 HydrophobicContact CD1-CB 3.63Å; I378-R434 HydrophobicContact CD1-CG 4.38Å; Y379-R434 WeakPolarHBondContact CB-O 3.39Å; Y379-R434 PolarHBondContact N-O 3.2Å; D409-R434 IonicContact OD1-NH1 2.79Å; D409-R434 PolarHBondContact OD1-NH1 3.23Å; Y416-R434 HydrophobicContact CD2-CB 3.92Å; Y416-R434 HydrophobicContact CD2-CG 3.66Å; Y416-R434 HydrophobicContact CE2-CG 3.91Å; Y416-R434 HydrophobicContact CG-CB 4.07Å; Y416-R434 HydrophobicContact CG-CG 4.21Å; W417-R434 CarbonylContact O-C 3.59Å; W417-R434 WeakPolarHBondContact O-CA 3.1Å; E429-R434 IonicContact OE1-CZ 2.78Å; E429-R434 VanDerWaalsContact OE1-CZ 3.3Å; E429-R434 IonicContact OE1-NE 2.97Å; E429-R434 PolarHBondContact OE1-NE 2.89Å; E429-R434 IonicContact OE1-NH2 2.78Å; E429-R434 PolarHBondContact OE1-NH2 3.41Å; E429-R434 IonicContact OE2-NE 3.22Å; E429-R434 PolarHBondContact OE2-NE 2.86Å; E429-R434 VanDerWaalsContact OE2-NE 3.09Å
435	I	98.7	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.9	180	-176.5	168	0	0	0	109.4	F365 Y379 Y416 W417 V419 F433 R437 E441 C442 V444	F365-I435 HydrophobicContact CD2-CD1 4.33Å; Y379-I435 HydrophobicContact CD1-CD1 3.9Å; Y379-I435 HydrophobicContact CD1-CG1 4Å; Y379-I435 HydrophobicContact CE1-CD1 4.41Å; Y379-I435 WeakPolarHBondContact O-CA 3.4Å; Y416-I435 CarbonylContact C-O 3.5Å; Y416-I435 WeakPolarHBondContact CA-O 3.41Å; Y416-I435 WeakPolarHBondContact CB-O 3.48Å; W417-I435 HydrophobicContact CB-CG2 3.91Å; W417-I435 PolarHBondContact N-O 2.83Å; W417-I435 PolarHBondContact O-N 3.3Å; V419-I435 HydrophobicContact CG2-CG2 4.03Å; F433-I435 HydrophobicContact CD2-CB 4.05Å; F433-I435 HydrophobicContact CD2-CG2 4.37Å; F433-I435 HydrophobicContact CE2-CB 3.85Å; F433-I435 HydrophobicContact CE2-CD1 4.39Å; F433-I435 HydrophobicContact CE2-CG2 3.88Å; I435-R437 PolarHBondContact O-N 2.91Å; I435-E441 HydrophobicContact CD1-CB 4.35Å; I435-E441 HydrophobicContact CD1-CG 4.09Å; I435-E441 HydrophobicContact CG1-CB 4.09Å; I435-E441 HydrophobicContact CG1-CG 3.86Å; I435-C442 HydrophobicContact CD1-CB 4.22Å; I435-V444 HydrophobicContact CD1-CB 4.23Å; I435-V444 HydrophobicContact CD1-CG1 4.26Å; I435-V444 HydrophobicContact CG2-CG1 4.27Å; I435-V444 HydrophobicContact CG2-CG2 4.24Å
436	L	98.1	Very high	95.7	Very high	32 Å²	32	33 Å²	33	17%	0.168	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	130.4	-178.5	-176.4	64.8	0	0	0	111.3	I378 Y379 T439 E441	I378-L436 HydrophobicContact CG2-CB 4.21Å; I378-L436 HydrophobicContact CG2-CD1 4.47Å; Y379-L436 PolarHBondContact O-N 3.3Å; L436-T439 HydrophobicContact CD2-CG2 4.39Å; L436-E441 HydrophobicContact CB-CB 3.94Å; L436-E441 HydrophobicContact CB-CG 4.04Å; L436-E441 WeakPolarHBondContact O-CB 3.45Å
437	R	96.8	Very high	95.4	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.068	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	146.8	-179.2	170	170.5	65.1	84.9	-0.4	111.5	E348 G407 P415 Y416 W417 I435	E348-R437 HydrophobicContact CG-CG 3.83Å; E348-R437 IonicContact OE1-CZ 2.79Å; E348-R437 IonicContact OE1-NH1 3.24Å; E348-R437 PolarHBondContact OE1-NH1 2.76Å; G407-R437 PolarHBondContact O-NH2 3.26Å; P415-R437 HydrophobicContact CB-CB 4.23Å; P415-R437 VanDerWaalsContact CB-NH2 3.34Å; P415-R437 WeakPolarHBondContact CG-O 3.37Å; P415-R437 PolarHBondContact O-N 3.27Å; Y416-R437 PolarHBondContact O-NE 3.18Å; W417-R437 HydrophobicContact CD2-CB 4.33Å; W417-R437 HydrophobicContact CD2-CG 4.07Å; W417-R437 VanDerWaalsContact CE2-CG 3.46Å; W417-R437 HydrophobicContact CG-CB 4.07Å; W417-R437 HydrophobicContact CG-CG 4.34Å; W417-R437 VanDerWaalsContact CZ2-CD 3.43Å; W417-R437 HydrophobicContact CZ2-CG 3.76Å; I435-R437 PolarHBondContact O-N 2.91Å
438	G	92.4	Very high	95.3	Very high	38 Å²	38	26.7 Å²	26.7	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-2.5	172.4	0	0	0	0	0	114.4	E445	G438-E445 PolarHBondContact N-OE1 3.45Å
439	T	91.8	Very high	95.3	Very high	64 Å²	64	26.6 Å²	26.6	39%	0.393	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	2.8	179.8	55.8	0	0	0	0	113.3	R205 L436 E441	R205-T439 PolarHBondContact NH2-O 3.49Å; L436-T439 HydrophobicContact CD2-CG2 4.39Å; T439-E441 VanDerWaalsContact C-N 3.27Å
440	D	92.4	Very high	95.3	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	45.8	-167.6	-168.4	35.2	0	0	0	111.5	C442 G443 V444 E445 S446	D440-C442 PolarHBondContact O-N 3.26Å; D440-G443 WeakPolarHBondContact O-CA 3.31Å; D440-G443 PolarHBondContact O-N 2.89Å; D440-G443 WeakPolarHBondContact OD1-CA 3.24Å; D440-V444 PolarHBondContact OD1-N 3.39Å; D440-E445 WeakPolarHBondContact CA-OE2 3.48Å; D440-E445 HydrophobicContact CB-CB 4.15Å; D440-E445 PolarHBondContact N-OE2 2.89Å; D440-E445 VanDerWaalsContact OD1-CA 3.27Å; D440-E445 WeakPolarHBondContact OD1-CA 3.47Å; D440-E445 WeakPolarHBondContact OD1-CB 3.42Å; D440-E445 PolarHBondContact OD1-N 3.46Å; D440-S446 PolarHBondContact OD1-N 3.15Å; D440-S446 PolarHBondContact OD1-OG 2.85Å; D440-S446 PolarHBondContact OD2-OG 3.01Å
441	E	94.3	Very high	95.3	Very high	36 Å²	36	19.7 Å²	19.7	17%	0.168	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-57.8	128.6	-178.8	-178.1	58.6	-155	0	0	111	H380 H381 I435 L436 T439 G443 V444	H380-E441 WeakPolarHBondContact CA-OE1 3.45Å; H380-E441 HydrophobicContact CB-CG 4.2Å; H381-E441 PolarHBondContact N-OE1 3.29Å; I435-E441 HydrophobicContact CD1-CB 4.35Å; I435-E441 HydrophobicContact CD1-CG 4.09Å; I435-E441 HydrophobicContact CG1-CB 4.09Å; I435-E441 HydrophobicContact CG1-CG 3.86Å; L436-E441 HydrophobicContact CB-CB 3.94Å; L436-E441 HydrophobicContact CB-CG 4.04Å; L436-E441 WeakPolarHBondContact O-CB 3.45Å; T439-E441 VanDerWaalsContact C-N 3.27Å; E441-G443 PolarHBondContact O-N 3Å; E441-V444 WeakPolarHBondContact O-CB 3.3Å; E441-V444 VanDerWaalsContact O-CG1 3.29Å; E441-V444 WeakPolarHBondContact O-CG1 3.32Å; E441-V444 PolarHBondContact O-N 2.77Å
442	C	92.3	Very high	95.3	Very high	9 Å²	9	21.7 Å²	21.7	6%	0.061	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	47.4	24.8	-170.4	-58.7	0	0	0	0	113.2	F365 E366 Y368 I435 D440 V444	F365-C442 CarbonylContact C-O 3.59Å; F365-C442 VanDerWaalsContact CA-O 3.31Å; F365-C442 WeakPolarHBondContact CA-O 3.24Å; F365-C442 HydrophobicContact CB-CB 4.45Å; F365-C442 WeakPolarHBondContact CB-O 3.04Å; F365-C442 HydrophobicContact CD2-CB 4.01Å; E366-C442 HydrophobicContact CB-CB 4.26Å; E366-C442 PolarHBondContact N-O 3.29Å; E366-C442 WeakPolarHBondContact O-CB 3.29Å; Y368-C442 HydrophobicContact CE2-CB 4.31Å; I435-C442 HydrophobicContact CD1-CB 4.22Å; D440-C442 PolarHBondContact O-N 3.26Å; C442-V444 VanDerWaalsContact C-N 3.29Å; C442-V444 PolarHBondContact O-N 3.19Å
443	G	90.5	Very high	95.3	Very high	6 Å²	6	21.2 Å²	21.2	6%	0.062	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	72.3	15.2	179.5	0	0	0	0	0	116.4	R199 G364 D440 E441 E445 S446	R199-G443 VanDerWaalsContact CZ-O 3.3Å; R199-G443 VanDerWaalsContact NH1-C 3.29Å; R199-G443 PolarHBondContact NH1-O 3.01Å; R199-G443 PolarHBondContact NH2-O 3.45Å; G364-G443 VanDerWaalsContact O-O 3.12Å; D440-G443 WeakPolarHBondContact O-CA 3.31Å; D440-G443 PolarHBondContact O-N 2.89Å; D440-G443 WeakPolarHBondContact OD1-CA 3.24Å; E441-G443 PolarHBondContact O-N 3Å; G443-E445 PolarHBondContact O-N 3.06Å; G443-E445 VanDerWaalsContact O-N 3.12Å; G443-S446 PolarHBondContact O-N 3.21Å
444	V	94	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.2	-175.1	72.4	0	0	0	0	113.9	V363 F365 I435 D440 E441 C442	V363-V444 HydrophobicContact CG2-CG2 3.91Å; F365-V444 HydrophobicContact CB-CB 3.86Å; F365-V444 HydrophobicContact CB-CG2 4.12Å; I435-V444 HydrophobicContact CD1-CB 4.23Å; I435-V444 HydrophobicContact CD1-CG1 4.26Å; I435-V444 HydrophobicContact CG2-CG1 4.27Å; I435-V444 HydrophobicContact CG2-CG2 4.24Å; D440-V444 PolarHBondContact OD1-N 3.39Å; E441-V444 WeakPolarHBondContact O-CB 3.3Å; E441-V444 VanDerWaalsContact O-CG1 3.29Å; E441-V444 WeakPolarHBondContact O-CG1 3.32Å; E441-V444 PolarHBondContact O-N 2.77Å; C442-V444 VanDerWaalsContact C-N 3.29Å; C442-V444 PolarHBondContact O-N 3.19Å
445	E	94	Very high	94.6	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.056	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.6	-176.1	-55.4	-178.3	155.8	0	0	113.5	T346 M351 W417 G438 D440 G443	T346-E445 CarbonylContact C-O 3.59Å; T346-E445 WeakPolarHBondContact CB-O 3.45Å; T346-E445 WeakPolarHBondContact CG2-O 3.48Å; M351-E445 HydrophobicContact CE-CB 4.45Å; M351-E445 HydrophobicContact CE-CG 4.28Å; M351-E445 VanDerWaalsContact SD-CA 3.51Å; M351-E445 HydrophobicContact SD-CB 3.76Å; M351-E445 HydrophobicContact SD-CG 4.08Å; W417-E445 PolarHBondContact NE1-OE1 3.02Å; G438-E445 PolarHBondContact N-OE1 3.45Å; D440-E445 WeakPolarHBondContact CA-OE2 3.48Å; D440-E445 HydrophobicContact CB-CB 4.15Å; D440-E445 PolarHBondContact N-OE2 2.89Å; D440-E445 VanDerWaalsContact OD1-CA 3.27Å; D440-E445 WeakPolarHBondContact OD1-CA 3.47Å; D440-E445 WeakPolarHBondContact OD1-CB 3.42Å; D440-E445 PolarHBondContact OD1-N 3.46Å; G443-E445 PolarHBondContact O-N 3.06Å; G443-E445 VanDerWaalsContact O-N 3.12Å
446	S	89.2	Confident	94.4	Very high	19 Å²	19	30 Å²	30	13%	0.133	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-30	-176	-64.7	0	0	0	0	114.5	R199 T346 D440 G443	R199-S446 PolarHBondContact NH1-OG 3.26Å; T346-S446 WeakPolarHBondContact CB-O 3.36Å; T346-S446 PolarHBondContact OG1-O 3Å; D440-S446 PolarHBondContact OD1-N 3.15Å; D440-S446 PolarHBondContact OD1-OG 2.85Å; D440-S446 PolarHBondContact OD2-OG 3.01Å; G443-S446 PolarHBondContact O-N 3.21Å
447	L	90.7	Very high	94.2	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.079	17%	0.172	C	C	.	.			trans	-117.9	35.4	-167.8	-56.1	-178.9	0	0	0	112.9	Y338 Y343	Y338-L447 HydrophobicContact CE1-CD2 4.31Å; Y343-L447 HydrophobicContact CD2-CD2 3.93Å; Y343-L447 HydrophobicContact CE2-CD2 3.41Å; Y343-L447 VanDerWaalsContact CE2-CD2 3.41Å
448	G	96	Very high	94.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.			trans	-69.9	129.4	172.7	0	0	0	0	0	111.2	Y338 I339	Y338-G448 WeakPolarHBondContact CA-O 3.32Å; I339-G448 PolarHBondContact N-O 3.03Å
449	V	98.2	Very high	94.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.6	-178.5	177.4	0	0	0	0	109.7	P293 F294 S337 Y338 F361 P362	P293-V449 HydrophobicContact CB-CG2 4.26Å; F294-V449 HydrophobicContact CB-CG2 4.08Å; S337-V449 WeakPolarHBondContact O-CA 3.46Å; Y338-V449 HydrophobicContact CD1-CG2 4.05Å; Y338-V449 HydrophobicContact CE1-CG2 4.04Å; F361-V449 WeakPolarHBondContact CB-O 3.46Å; P362-V449 HydrophobicContact CG-CB 4.19Å; P362-V449 PolarHBondContact O-N 2.84Å; P362-V449 VanDerWaalsContact O-N 3.13Å
450	R	98.3	Very high	94.3	Very high	58 Å²	58	28 Å²	28	22%	0.219	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	157.1	170.1	58.5	154	-100.6	128.5	-1.2	111	D335 Y336 S337 I339 E354 D452	D335-R450 PolarHBondContact O-NE 2.82Å; D335-R450 PolarHBondContact O-NH2 3.13Å; Y336-R450 WeakPolarHBondContact CA-O 3.48Å; Y336-R450 WeakPolarHBondContact CB-O 3.44Å; S337-R450 PolarHBondContact N-O 2.79Å; S337-R450 WeakPolarHBondContact O-CG 3.17Å; S337-R450 PolarHBondContact O-N 3.4Å; S337-R450 WeakPolarHBondContact OG-CD 3.13Å; S337-R450 VanDerWaalsContact OG-CG 3.26Å; S337-R450 WeakPolarHBondContact OG-CG 3.31Å; S337-R450 PolarHBondContact OG-NE 3.33Å; I339-R450 HydrophobicContact CG1-CB 4.18Å; I339-R450 HydrophobicContact CG1-CG 4.41Å; E354-R450 HydrophobicContact CG-CB 4.27Å; E354-R450 VanDerWaalsContact OE1-CB 3.31Å; E354-R450 WeakPolarHBondContact OE1-CB 3.48Å; R450-D452 IonicContact CZ-OD2 3.09Å; R450-D452 IonicContact NH1-OD1 2.72Å; R450-D452 IonicContact NH1-OD2 2.78Å; R450-D452 IonicContact NH2-OD2 3.03Å; R450-D452 PolarHBondContact NH2-OD2 3.12Å
451	F	98.6	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	159.6	171.4	59	-90.6	0	0	0	108.9	A256 L257 R260 A297 T333	A256-F451 HydrophobicContact CB-CE1 3.91Å; A256-F451 HydrophobicContact CB-CZ 3.63Å; L257-F451 HydrophobicContact CB-CE2 4.05Å; L257-F451 HydrophobicContact CB-CZ 4.2Å; L257-F451 HydrophobicContact CD1-CE2 3.88Å; R260-F451 PolarHBondContact NH1-O 2.94Å; A297-F451 HydrophobicContact CB-CD1 3.71Å; A297-F451 HydrophobicContact CB-CE1 3.51Å; A297-F451 HydrophobicContact CB-CZ 4.24Å; T333-F451 HydrophobicContact CG2-CD2 3.53Å; T333-F451 HydrophobicContact CG2-CE2 3.91Å; T333-F451 HydrophobicContact CG2-CG 4.28Å
452	D	98.3	Very high	94.5	Very high	42 Å²	42	27.6 Å²	27.6	23%	0.225	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.3	-180	-61.2	-42.3	0	0	0	109.5	T333 T334 R450	T333-D452 CarbonylContact C-O 3.41Å; T333-D452 VanDerWaalsContact CA-O 3.31Å; T333-D452 WeakPolarHBondContact CA-O 3.44Å; T334-D452 HydrophobicContact CG2-CB 4.02Å; T334-D452 PolarHBondContact N-O 3.18Å; T334-D452 PolarHBondContact O-N 3.18Å; R450-D452 IonicContact CZ-OD2 3.09Å; R450-D452 IonicContact NH1-OD1 2.72Å; R450-D452 IonicContact NH1-OD2 2.78Å; R450-D452 IonicContact NH2-OD2 3.03Å; R450-D452 PolarHBondContact NH2-OD2 3.12Å
453	P	98.3	Very high	94.6	Very high	25 Å²	25	29.1 Å²	29.1	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	143.8	173.8	-17.9	30.8	0	0	0	111.6	L257 R260 I261 V264	L257-P453 HydrophobicContact CD1-CB 3.95Å; L257-P453 HydrophobicContact CD1-CG 4.08Å; R260-P453 HydrophobicContact CB-CG 3.46Å; R260-P453 VanDerWaalsContact CB-CG 3.46Å; I261-P453 HydrophobicContact CG1-CB 3.87Å; I261-P453 HydrophobicContact CG1-CG 4.32Å; V264-P453 HydrophobicContact CG1-CB 4.08Å; V264-P453 HydrophobicContact CG1-CG 4.07Å
454	V	96.2	Very high	95	Very high	72 Å²	72	31 Å²	31	44%	0.436	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113	168.3	-175.3	0	0	0	0	108.1	Y332 T334	Y332-V454 PolarHBondContact O-N 3.45Å; T334-V454 HydrophobicContact CG2-CG2 3.9Å
455	L	87.8	Confident	95.1	Very high	127 Å²	127	33.8 Å²	33.8	67%	0.665	18%	0.181	S	C	*	.			trans	-88.6	0	173.3	-66.1	-176.2	0	0	0	112	I261 V264	I261-L455 HydrophobicContact CG2-CD2 4.24Å; V264-L455 HydrophobicContact CB-CD1 4.2Å; V264-L455 HydrophobicContact CG1-CD1 3.66Å; V264-L455 HydrophobicContact CG1-CD2 3.88Å; V264-L455 HydrophobicContact CG1-CG 3.74Å; V264-L455 HydrophobicContact CG2-CD1 3.85Å; V264-L455 HydrophobicContact CG2-CG 4.45Å

Retrieved 455 of 455 residues in 100.2 ms (Link to these results)

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