A0A087XLL8_POEFO 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 A0A087XLL8, Species POEFO (Poecilia formosa, Amazon molly), 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	33.3	Very low	29.4	Very low	241 Å²	241	153.2 Å²	153.2	100%	1.187	82%	0.818	S	S	*	*				0	124.7	0	-91.1	173	161.5	0	0	108.6
2	R	33	Very low	29.2	Very low	241 Å²	241	153.7 Å²	153.7	91%	0.909	82%	0.82	S	S	*	*			trans	65.8	88.4	164	-60.1	-172.9	177.7	-175.9	-0.9	118.3
3	F	27	Very low	28.9	Very low	216 Å²	216	153 Å²	153	95%	0.947	82%	0.815	S	S	*	*			trans	-74.8	122.7	141.2	-83.1	-89.9	0	0	0	107.9	A5	F3-A5 PolarHBondContact O-N 3.17Å
4	S	29.8	Very low	28.8	Very low	117 Å²	117	159.1 Å²	159.1	82%	0.818	82%	0.821	S	S	*	*			trans	-82	109.5	170.2	-70	0	0	0	0	108.6
5	A	33	Very low	28.5	Very low	102 Å²	102	157.4 Å²	157.4	84%	0.843	82%	0.821	S	S	*	*			trans	-77.9	130.2	170.6	0	0	0	0	0	109.8	F3	F3-A5 PolarHBondContact O-N 3.17Å
6	V	33.4	Very low	28.5	Very low	124 Å²	124	159.4 Å²	159.4	75%	0.752	83%	0.825	S	S	*	*			trans	-70.6	120.2	175.9	169.3	0	0	0	0	108.9	V8	V6-V8 HydrophobicContact CG1-CB 4.47Å; V6-V8 HydrophobicContact CG1-CG2 3.55Å
7	L	27.6	Very low	28.3	Very low	159 Å²	159	152.6 Å²	152.6	83%	0.832	80%	0.802	S	S	*	*			trans	-100.2	89	168.1	-150.8	88.9	0	0	0	107.9	C9	L7-C9 PolarHBondContact O-N 3.46Å
8	V	28.2	Very low	28.3	Very low	108 Å²	108	148.4 Å²	148.4	66%	0.655	79%	0.788	S	S	*	*			trans	-86.6	95.2	166.4	171.3	0	0	0	0	106.6	V6 V10	V6-V8 HydrophobicContact CG1-CB 4.47Å; V6-V8 HydrophobicContact CG1-CG2 3.55Å; V8-V10 HydrophobicContact CG1-CG2 3.83Å; V8-V10 PolarHBondContact O-N 3.49Å; V8-V10 VanDerWaalsContact O-N 3.14Å
9	C	25.6	Very low	28.6	Very low	89 Å²	89	142.9 Å²	142.9	60%	0.601	76%	0.759	S	S	*	*			trans	-69.7	97.5	163.6	-76.7	0	0	0	0	108.3	L7 F11	L7-C9 PolarHBondContact O-N 3.46Å; C9-F11 PolarHBondContact O-N 3.34Å; C9-F11 VanDerWaalsContact O-N 3.12Å
10	V	27.9	Very low	29.7	Very low	116 Å²	116	136.3 Å²	136.3	70%	0.703	73%	0.725	S	S	*	*			trans	-74.8	96.3	164.7	-177.6	0	0	0	0	107.1	V8 L12	V8-V10 HydrophobicContact CG1-CG2 3.83Å; V8-V10 PolarHBondContact O-N 3.49Å; V8-V10 VanDerWaalsContact O-N 3.14Å; V10-L12 PolarHBondContact O-N 3.23Å; V10-L12 VanDerWaalsContact O-N 3.17Å
11	F	24.9	Very low	31.6	Very low	172 Å²	172	130.3 Å²	130.3	75%	0.754	69%	0.694	S	S	*	*			trans	-65.5	106.7	159.4	-87.8	-89.4	0	0	0	107.4	C9 L13	C9-F11 PolarHBondContact O-N 3.34Å; C9-F11 VanDerWaalsContact O-N 3.12Å; F11-L13 PolarHBondContact O-N 2.73Å
12	L	26.5	Very low	34	Very low	159 Å²	159	119.2 Å²	119.2	83%	0.832	64%	0.639	S	S	*	*			trans	-66	85.2	162.1	-83.4	156	0	0	0	107.5	V10 W14	V10-L12 PolarHBondContact O-N 3.23Å; V10-L12 VanDerWaalsContact O-N 3.17Å; L12-W14 PolarHBondContact O-N 2.86Å
13	L	25.1	Very low	36.5	Very low	145 Å²	145	108.2 Å²	108.2	76%	0.759	60%	0.599	S	S	*	*			trans	-63.1	114.8	165.8	-79.1	161.9	0	0	0	107.4	F11 V15	F11-L13 PolarHBondContact O-N 2.73Å; L13-V15 PolarHBondContact O-N 3.2Å
14	W	27.8	Very low	39.4	Very low	238 Å²	238	98 Å²	98	90%	0.902	55%	0.554	S	S	*	*			trans	-50.6	110.2	160.1	-84.2	38.9	0	0	0	108	L12 E16	L12-W14 PolarHBondContact O-N 2.86Å; W14-E16 PolarHBondContact O-N 3.01Å; W14-E16 VanDerWaalsContact O-N 3.13Å
15	V	24.9	Very low	42.3	Very low	134 Å²	134	92.9 Å²	92.9	81%	0.812	52%	0.518	S	S	*	.			trans	-78.3	97.6	167.7	-178.7	0	0	0	0	106	L13 G17	L13-V15 PolarHBondContact O-N 3.2Å; V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 2.82Å
16	E	28.6	Very low	45.1	Very low	190 Å²	190	88 Å²	88	89%	0.888	48%	0.478	S	S	*	.			trans	-59.3	97.9	159.5	-74.6	-178.2	160.4	0	0	108.1	W14	W14-E16 PolarHBondContact O-N 3.01Å; W14-E16 VanDerWaalsContact O-N 3.13Å
17	G	25.4	Very low	47.9	Very low	43 Å²	43	82.9 Å²	82.9	44%	0.443	45%	0.447	S	S	.	.			trans	-159.6	59.2	175.6	0	0	0	0	0	107.8	V15 L19	V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 2.82Å; G17-L19 PolarHBondContact O-N 3.09Å
18	S	28.2	Very low	51	Low	77 Å²	77	77.3 Å²	77.3	54%	0.538	42%	0.415	S	S	.	.			trans	-70.3	127.7	171.3	65.2	0	0	0	0	108.2	D292	S18-D292 WeakPolarHBondContact CB-OD2 3.42Å; S18-D292 PolarHBondContact OG-OD2 3.21Å
19	L	34	Very low	54.1	Low	45 Å²	45	77.9 Å²	77.9	24%	0.236	41%	0.411	C	S	.	.			trans	-132.2	109.1	-171.4	-82.4	160.8	0	0	0	108.2	G17 F151	G17-L19 PolarHBondContact O-N 3.09Å; L19-F151 HydrophobicContact CD2-CD2 3.99Å; L19-F151 HydrophobicContact CD2-CE2 4.32Å
20	G	49	Very low	57.4	Low	9 Å²	9	74.2 Å²	74.2	9%	0.093	39%	0.385	C	S	.	.	S	Bend	trans	61	-172.8	164.2	0	0	0	0	0	116.2	D292	G20-D292 VanDerWaalsContact C-C 3.47Å; G20-D292 CarbonylContact C-O 3.5Å; G20-D292 WeakPolarHBondContact CA-O 3Å; G20-D292 PolarHBondContact N-OD1 3.18Å; G20-D292 WeakPolarHBondContact O-CB 3.23Å
21	D	71	Confident	60.6	Low	12 Å²	12	68.7 Å²	68.7	6%	0.064	35%	0.351	C	S	.	.	S	Bend	trans	-37.2	156.9	148.4	-64.4	-28.8	0	0	0	110.4	D292 G293 G294 F295 N396	D21-D292 PolarHBondContact N-O 3.14Å; D21-D292 VanDerWaalsContact N-O 3.11Å; D21-G293 WeakPolarHBondContact OD1-CA 3.08Å; D21-G294 PolarHBondContact OD1-N 2.79Å; D21-F295 HydrophobicContact CB-CE2 4.06Å; D21-F295 HydrophobicContact CB-CZ 4.26Å; D21-F295 WeakPolarHBondContact OD1-CE2 3.15Å; D21-F295 VanDerWaalsContact OD2-CZ 3.31Å; D21-F295 WeakPolarHBondContact OD2-CZ 3.06Å; D21-N396 PolarHBondContact OD2-ND2 2.82Å
22	T	82.4	Confident	64.1	Low	7 Å²	7	62.4 Å²	62.4	4%	0.043	33%	0.325	C	S	.	.			trans	-49.6	139.5	178	81.7	0	0	0	0	110	A24 Q86 F100 Q289	T22-A24 PolarHBondContact O-N 3.21Å; T22-Q86 VanDerWaalsContact CB-OE1 3.24Å; T22-Q86 PolarHBondContact O-NE2 2.76Å; T22-Q86 PolarHBondContact O-OE1 2.86Å; T22-Q86 PolarHBondContact OG1-OE1 3.21Å; T22-F100 HydrophobicContact CG2-CD1 3.81Å; T22-F100 HydrophobicContact CG2-CD2 4.41Å; T22-F100 HydrophobicContact CG2-CE1 3.96Å; T22-F100 HydrophobicContact CG2-CG 4.05Å; T22-F100 HydrophobicContact CG2-CZ 4.32Å; T22-Q289 HydrophobicContact CG2-CG 4.24Å
23	P	85.6	Confident	67.5	Low	11 Å²	11	55.9 Å²	55.9	7%	0.071	30%	0.297	C	S	.	.	S	Bend	trans	-60.5	-10.5	-178.6	-25.6	33.3	0	0	0	114.9	Y103 V110	P23-Y103 HydrophobicContact CB-CD2 3.98Å; P23-Y103 HydrophobicContact CB-CE2 4.24Å; P23-Y103 HydrophobicContact CB-CG 4.37Å; P23-Y103 VanDerWaalsContact CD-CZ 3.48Å; P23-Y103 HydrophobicContact CG-CD2 3.92Å; P23-Y103 HydrophobicContact CG-CE2 3.67Å; P23-V110 HydrophobicContact CB-CB 4.29Å; P23-V110 HydrophobicContact CB-CG1 3.44Å; P23-V110 VanDerWaalsContact CB-CG1 3.44Å; P23-V110 HydrophobicContact CB-CG2 3.82Å; P23-V110 WeakPolarHBondContact O-CG1 3.42Å
24	A	88.5	Confident	71	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.			trans	-58.4	139.1	178.2	0	0	0	0	0	112	T22 Q86 F101 Y103 S112	T22-A24 PolarHBondContact O-N 3.21Å; A24-Q86 PolarHBondContact O-NE2 2.88Å; A24-Q86 VanDerWaalsContact O-NE2 3.11Å; A24-F101 HydrophobicContact CB-CB 4.06Å; A24-Y103 HydrophobicContact CB-CD1 4.23Å; A24-S112 WeakPolarHBondContact CA-OG 3.37Å
25	N	90	Very high	74.3	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.053	23%	0.232	C	C	.	.			trans	-137.6	72.5	178.6	-173.3	24.2	0	0	0	110.2	N85 S112 R144 D146 R203	N25-N85 PolarHBondContact OD1-ND2 3.2Å; N25-S112 PolarHBondContact N-OG 2.85Å; N25-S112 VanDerWaalsContact N-OG 3.07Å; N25-R144 WeakPolarHBondContact O-CD 3.25Å; N25-D146 WeakPolarHBondContact CB-OD2 3.48Å; N25-D146 PolarHBondContact ND2-OD2 3.42Å; N25-D146 VanDerWaalsContact ND2-OD2 3.11Å; N25-R203 PolarHBondContact ND2-O 2.84Å
26	C	92.1	Very high	77.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.007	21%	0.206	C	C	.	.			trans	-104.3	151.1	-175.3	-62.6	0	0	0	0	111.9	N85 F101 C114	C26-N85 PolarHBondContact N-O 3.1Å; C26-N85 VanDerWaalsContact O-CA 3.3Å; C26-N85 WeakPolarHBondContact O-CA 3.31Å; C26-N85 VanDerWaalsContact O-CB 3.23Å; C26-N85 WeakPolarHBondContact O-CB 3.44Å; C26-F101 HydrophobicContact CB-CB 4.49Å; C26-F101 HydrophobicContact CB-CD1 4.34Å; C26-F101 HydrophobicContact CB-CD2 3.37Å; C26-F101 HydrophobicContact CB-CE1 4.43Å; C26-F101 HydrophobicContact CB-CE2 3.51Å; C26-F101 HydrophobicContact CB-CG 3.83Å; C26-F101 HydrophobicContact CB-CZ 4.05Å; C26-F101 VanDerWaalsContact SG-CG 3.53Å; C26-C114 WeakPolarHBondContact CA-SG 3.18Å; C26-C114 HydrophobicContact CB-CB 3.65Å; C26-C114 WeakPolarHBondContact CB-SG 3.38Å; C26-C114 WeakPolarHBondContact SG-CA 3.35Å; C26-C114 WeakPolarHBondContact SG-CB 3.5Å; C26-C114 CovalentContact SG-SG 2.04Å; C26-C114 PolarHBondContact SG-SG 3.22Å
27	T	92.4	Very high	81	Confident	16 Å²	16	26.6 Å²	26.6	10%	0.098	16%	0.164	C	C	.	.			trans	-103.1	164.5	-177.4	62.2	0	0	0	0	111.9	E29 D30 L31 R144	T27-E29 PolarHBondContact O-N 2.97Å; T27-D30 PolarHBondContact N-OD2 3.23Å; T27-D30 WeakPolarHBondContact O-CB 3.34Å; T27-D30 PolarHBondContact O-N 2.56Å; T27-D30 VanDerWaalsContact O-N 3.14Å; T27-D30 PolarHBondContact OG1-N 3.45Å; T27-D30 PolarHBondContact OG1-OD1 3.14Å; T27-D30 PolarHBondContact OG1-OD2 3.38Å; T27-L31 PolarHBondContact O-N 3.27Å; T27-R144 PolarHBondContact OG1-NH2 3.16Å
28	Y	93	Very high	84.4	Confident	41 Å²	41	29.1 Å²	29.1	16%	0.161	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-37.2	175	176.7	-99.2	0	0	0	112	D30 L31 L32 K66 L67 F80 L82	Y28-D30 VanDerWaalsContact C-N 3.3Å; Y28-D30 PolarHBondContact O-N 3.11Å; Y28-L31 WeakPolarHBondContact O-CB 3.38Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-L31 VanDerWaalsContact O-N 3.11Å; Y28-L32 HydrophobicContact CD1-CD1 4.32Å; Y28-L32 HydrophobicContact CD1-CG 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.76Å; Y28-L32 HydrophobicContact CE1-CD2 4.03Å; Y28-L32 HydrophobicContact CE1-CG 3.99Å; Y28-L32 HydrophobicContact CE2-CD2 4.39Å; Y28-L32 PolarHBondContact O-N 3.22Å; Y28-K66 WeakPolarHBondContact OH-CA 3.42Å; Y28-L67 WeakPolarHBondContact OH-CA 3.5Å; Y28-L67 PolarHBondContact OH-O 3.45Å; Y28-F80 AromaticContact CE2-CE2 3.86Å; Y28-F80 HydrophobicContact CE2-CE2 3.86Å; Y28-F80 HydrophobicContact CE2-CZ 4.02Å; Y28-L82 HydrophobicContact CD2-CB 4.38Å
29	E	93.8	Very high	87.6	Confident	120 Å²	120	26 Å²	26	56%	0.561	14%	0.141	S	C	*	.	H	α-helix	trans	-67	-30.7	177	-65	70.7	-156.6	0	0	112.7	T27 L31 R137	T27-E29 PolarHBondContact O-N 2.97Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-R137 PolarHBondContact O-NH1 3.35Å
30	D	94.2	Very high	90.4	Very high	12 Å²	12	24.5 Å²	24.5	6%	0.064	14%	0.135	C	C	.	.	H	α-helix	trans	-69.6	-28.6	173.9	-54.9	-40.7	0	0	0	111.3	T27 Y28 C114 R137 V141 R144	T27-D30 PolarHBondContact N-OD2 3.23Å; T27-D30 WeakPolarHBondContact O-CB 3.34Å; T27-D30 PolarHBondContact O-N 2.56Å; T27-D30 VanDerWaalsContact O-N 3.14Å; T27-D30 PolarHBondContact OG1-N 3.45Å; T27-D30 PolarHBondContact OG1-OD1 3.14Å; T27-D30 PolarHBondContact OG1-OD2 3.38Å; Y28-D30 VanDerWaalsContact C-N 3.3Å; Y28-D30 PolarHBondContact O-N 3.11Å; D30-C114 HydrophobicContact CB-CB 3.62Å; D30-R137 VanDerWaalsContact C-NH1 3.29Å; D30-R137 PolarHBondContact O-NH1 2.82Å; D30-V141 HydrophobicContact CB-CG1 4.3Å; D30-V141 WeakPolarHBondContact OD1-CG1 3.36Å; D30-R144 VanDerWaalsContact CG-NH2 3.35Å; D30-R144 IonicContact OD1-CZ 3.42Å; D30-R144 IonicContact OD1-NE 2.75Å; D30-R144 IonicContact OD1-NH2 3.47Å; D30-R144 PolarHBondContact OD1-NH2 3.28Å; D30-R144 IonicContact OD2-CZ 2.72Å; D30-R144 IonicContact OD2-NE 3.31Å; D30-R144 PolarHBondContact OD2-NE 3.43Å; D30-R144 IonicContact OD2-NH2 3.86Å; D30-R144 PolarHBondContact OD2-NH2 3.46Å
31	L	95.9	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-76.7	-33.5	178.5	-178.2	58.5	0	0	0	113	T27 Y28 E29 W35 L64 F80 L82 F88 F101	T27-L31 PolarHBondContact O-N 3.27Å; Y28-L31 WeakPolarHBondContact O-CB 3.38Å; Y28-L31 PolarHBondContact O-N 3.28Å; Y28-L31 VanDerWaalsContact O-N 3.11Å; E29-L31 VanDerWaalsContact C-N 3.27Å; L31-W35 HydrophobicContact CD1-CZ2 4.02Å; L31-W35 PolarHBondContact O-NE1 2.91Å; L31-L64 HydrophobicContact CD1-CD1 3.55Å; L31-L64 HydrophobicContact CG-CD1 3.82Å; L31-F80 HydrophobicContact CD2-CD2 3.75Å; L31-F80 HydrophobicContact CD2-CE2 3.72Å; L31-F80 HydrophobicContact CG-CD2 4.42Å; L31-F80 HydrophobicContact CG-CE2 4.22Å; L31-L82 HydrophobicContact CB-CD1 4.38Å; L31-L82 HydrophobicContact CD2-CB 4.02Å; L31-L82 HydrophobicContact CD2-CD1 3.8Å; L31-F88 HydrophobicContact CD1-CB 3.84Å; L31-F88 HydrophobicContact CD1-CD1 3.33Å; L31-F88 HydrophobicContact CD1-CD2 4.33Å; L31-F88 HydrophobicContact CD1-CE1 3.86Å; L31-F88 HydrophobicContact CD1-CG 3.58Å; L31-F88 HydrophobicContact CD2-CB 3.67Å; L31-F88 HydrophobicContact CD2-CG 4.36Å; L31-F88 HydrophobicContact CG-CB 4.44Å; L31-F101 HydrophobicContact CB-CZ 4.32Å; L31-F101 HydrophobicContact CD1-CE1 4.27Å; L31-F101 HydrophobicContact CD1-CZ 4.09Å
32	L	97.5	Very high	93.3	Very high	40 Å²	40	31.6 Å²	31.6	21%	0.209	18%	0.175	C	C	.	.			trans	-63.5	139.8	-176	-67.4	-177	0	0	0	113.6	Y28 K66 F80 R137	Y28-L32 HydrophobicContact CD1-CD1 4.32Å; Y28-L32 HydrophobicContact CD1-CG 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.76Å; Y28-L32 HydrophobicContact CE1-CD2 4.03Å; Y28-L32 HydrophobicContact CE1-CG 3.99Å; Y28-L32 HydrophobicContact CE2-CD2 4.39Å; Y28-L32 PolarHBondContact O-N 3.22Å; L32-K66 HydrophobicContact CD1-CB 4.38Å; L32-F80 HydrophobicContact CD2-CE2 4.48Å; L32-F80 HydrophobicContact CD2-CZ 3.74Å; L32-R137 PolarHBondContact O-NE 3.35Å; L32-R137 PolarHBondContact O-NH1 3.45Å; L32-R137 PolarHBondContact O-NH2 3.16Å
33	G	97.7	Very high	93.5	Very high	23 Å²	23	34.2 Å²	34.2	24%	0.237	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121	-167.2	176	0	0	0	0	0	113.4	L64	G33-L64 PolarHBondContact N-O 3.16Å; G33-L64 PolarHBondContact O-N 3.46Å
34	T	98.4	Very high	93.8	Very high	47 Å²	47	37.4 Å²	37.4	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.1	-176.8	-51.8	0	0	0	0	111.3	T61 V62 T63 R137 V138	T34-T61 HydrophobicContact CG2-CG2 3.38Å; T34-V62 CarbonylContact C-O 3.57Å; T34-V62 WeakPolarHBondContact CA-O 3.4Å; T34-T63 PolarHBondContact OG1-OG1 3.3Å; T34-T63 VanDerWaalsContact OG1-OG1 3.08Å; T34-R137 WeakPolarHBondContact O-CA 3.4Å; T34-V138 HydrophobicContact CG2-CG2 3.84Å; T34-V138 PolarHBondContact O-N 3.07Å
35	W	98.5	Very high	94.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.6	176.1	-70.9	79.5	0	0	0	110.4	L31 F37 T61 V62 F88 F101 C114 D115 T117 R137	L31-W35 HydrophobicContact CD1-CZ2 4.02Å; L31-W35 PolarHBondContact O-NE1 2.91Å; W35-F37 HydrophobicContact CB-CD1 4.2Å; W35-F37 HydrophobicContact CB-CE1 3.6Å; W35-F37 HydrophobicContact CB-CZ 4.13Å; W35-F37 HydrophobicContact CD2-CE1 4.47Å; W35-F37 HydrophobicContact CE3-CE1 4.33Å; W35-F37 HydrophobicContact CG-CE1 4.21Å; W35-T61 WeakPolarHBondContact O-CA 3.25Å; W35-V62 PolarHBondContact N-O 3.27Å; W35-V62 PolarHBondContact O-N 3.41Å; W35-F88 HydrophobicContact CE3-CZ 4.42Å; W35-F88 HydrophobicContact CH2-CE1 4.17Å; W35-F88 HydrophobicContact CZ2-CE1 4.4Å; W35-F88 HydrophobicContact CZ3-CE1 4.28Å; W35-F88 HydrophobicContact CZ3-CZ 4.48Å; W35-F101 HydrophobicContact CH2-CD1 4.47Å; W35-F101 HydrophobicContact CH2-CE1 4.12Å; W35-F101 HydrophobicContact CZ2-CE1 4.33Å; W35-C114 WeakPolarHBondContact CH2-O 3.02Å; W35-D115 WeakPolarHBondContact CZ3-O 3.14Å; W35-T117 HydrophobicContact CZ3-CG2 3.91Å; W35-R137 HydrophobicContact CD2-CB 4Å; W35-R137 HydrophobicContact CD2-CG 4.47Å; W35-R137 HydrophobicContact CE3-CB 4.2Å; W35-R137 HydrophobicContact CH2-CB 4.22Å; W35-R137 HydrophobicContact CZ2-CB 4.01Å; W35-R137 HydrophobicContact CZ2-CG 4.41Å; W35-R137 HydrophobicContact CZ3-CB 4.3Å
36	V	97.6	Very high	94.3	Very high	44 Å²	44	44.7 Å²	44.7	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.8	169	-178.3	0	0	0	0	107.5	T59 G135 K136 V138	V36-T59 HydrophobicContact CG1-CG2 4.46Å; V36-G135 WeakPolarHBondContact O-CA 3.41Å; V36-K136 PolarHBondContact N-O 2.96Å; V36-K136 PolarHBondContact O-N 2.85Å; V36-V138 HydrophobicContact CG2-CG2 3.83Å
37	F	96.8	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.4	175	-59.4	-24.2	0	0	0	109	W35 T59 V60 V62 F88 V90 W97 F133 V134	W35-F37 HydrophobicContact CB-CD1 4.2Å; W35-F37 HydrophobicContact CB-CE1 3.6Å; W35-F37 HydrophobicContact CB-CZ 4.13Å; W35-F37 HydrophobicContact CD2-CE1 4.47Å; W35-F37 HydrophobicContact CE3-CE1 4.33Å; W35-F37 HydrophobicContact CG-CE1 4.21Å; F37-T59 CarbonylContact O-C 3.56Å; F37-T59 VanDerWaalsContact O-CA 3.28Å; F37-T59 WeakPolarHBondContact O-CA 3.37Å; F37-V60 HydrophobicContact CB-CB 4.41Å; F37-V60 WeakPolarHBondContact CB-O 3.29Å; F37-V60 PolarHBondContact N-O 2.99Å; F37-V60 PolarHBondContact O-N 2.59Å; F37-V62 HydrophobicContact CD2-CG2 3.87Å; F37-V62 HydrophobicContact CE2-CB 4.02Å; F37-V62 HydrophobicContact CE2-CG2 3.57Å; F37-V62 HydrophobicContact CZ-CB 4.37Å; F37-V62 HydrophobicContact CZ-CG2 4.39Å; F37-F88 HydrophobicContact CE1-CE2 4.17Å; F37-F88 HydrophobicContact CE1-CZ 4.06Å; F37-F88 AromaticContact CZ-CE2 3.9Å; F37-F88 HydrophobicContact CZ-CE2 3.9Å; F37-F88 HydrophobicContact CZ-CZ 4.25Å; F37-V90 HydrophobicContact CZ-CG2 4.49Å; F37-W97 HydrophobicContact CB-CE3 4.35Å; F37-W97 HydrophobicContact CB-CZ3 3.94Å; F37-W97 AromaticContact CD2-CD2 3.84Å; F37-W97 HydrophobicContact CD2-CD2 3.84Å; F37-W97 AromaticContact CD2-CE3 3.47Å; F37-W97 HydrophobicContact CD2-CE3 3.47Å; F37-W97 VanDerWaalsContact CD2-CE3 3.47Å; F37-W97 HydrophobicContact CD2-CG 4.49Å; F37-W97 HydrophobicContact CD2-CH2 4.32Å; F37-W97 AromaticContact CD2-CZ3 3.74Å; F37-W97 HydrophobicContact CD2-CZ3 3.74Å; F37-W97 HydrophobicContact CE2-CB 4.45Å; F37-W97 HydrophobicContact CE2-CD2 4.04Å; F37-W97 HydrophobicContact CE2-CE3 4.05Å; F37-W97 HydrophobicContact CE2-CG 4.22Å; F37-W97 HydrophobicContact CG-CE3 4.17Å; F37-W97 HydrophobicContact CG-CZ3 4.23Å; F37-F133 HydrophobicContact CB-CD2 3.82Å; F37-F133 HydrophobicContact CB-CE2 4.45Å; F37-F133 AromaticContact CD1-CD2 3.89Å; F37-F133 HydrophobicContact CD1-CD2 3.89Å; F37-F133 AromaticContact CD1-CE2 3.72Å; F37-F133 HydrophobicContact CD1-CE2 3.72Å; F37-F133 HydrophobicContact CD2-CD2 4.38Å; F37-F133 HydrophobicContact CD2-CE2 4.27Å; F37-F133 AromaticContact CE1-CE2 3.96Å; F37-F133 HydrophobicContact CE1-CE2 3.96Å; F37-F133 HydrophobicContact CE2-CE2 4.47Å; F37-F133 AromaticContact CG-CD2 3.78Å; F37-F133 HydrophobicContact CG-CD2 3.78Å; F37-F133 AromaticContact CG-CE2 3.9Å; F37-F133 HydrophobicContact CG-CE2 3.9Å; F37-F133 HydrophobicContact CZ-CE2 4.33Å; F37-V134 WeakPolarHBondContact CA-O 3.01Å
38	Q	95.7	Very high	94.4	Very high	96 Å²	96	50.1 Å²	50.1	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118	170.6	-65	-179.2	-24.7	0	0	108.3	T59 F133 V134	Q38-T59 HydrophobicContact CG-CG2 4.37Å; Q38-F133 CarbonylContact O-C 3.54Å; Q38-F133 WeakPolarHBondContact O-CA 3.35Å; Q38-F133 WeakPolarHBondContact O-CB 3.44Å; Q38-V134 HydrophobicContact CB-CG2 3.92Å; Q38-V134 PolarHBondContact N-O 2.79Å; Q38-V134 PolarHBondContact O-N 2.83Å
39	V	95.3	Very high	94.3	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.7	-171.5	-165.3	0	0	0	0	109.7	G56 E57 S58 V60 W97 V122 A131 C132 F133	V39-G56 CarbonylContact O-C 3.57Å; V39-E57 PolarHBondContact O-N 2.87Å; V39-S58 PolarHBondContact N-O 2.98Å; V39-S58 PolarHBondContact O-N 2.98Å; V39-V60 HydrophobicContact CG2-CG2 4.23Å; V39-W97 HydrophobicContact CG2-CH2 3.91Å; V39-W97 HydrophobicContact CG2-CZ3 3.77Å; V39-V122 HydrophobicContact CG1-CG1 3.92Å; V39-A131 HydrophobicContact CG1-CB 3.72Å; V39-C132 WeakPolarHBondContact CA-O 3.48Å; V39-F133 HydrophobicContact CG2-CB 4.32Å
40	S	94	Very high	94.1	Very high	15 Å²	15	47.8 Å²	47.8	11%	0.105	28%	0.281	C	S	.	.			trans	-67.8	-179.2	171.3	71.3	0	0	0	0	111.2	G42 C132	S40-G42 PolarHBondContact O-N 2.81Å; S40-C132 PolarHBondContact N-O 3.42Å; S40-C132 PolarHBondContact OG-N 2.84Å; S40-C132 PolarHBondContact OG-O 2.58Å
41	K	90.3	Very high	93.5	Very high	126 Å²	126	51.9 Å²	51.9	55%	0.548	31%	0.311	S	S	.	.			trans	-51.6	135.1	163.4	-161	162.8	179.4	178.3	0	110.5	H44 E57	K41-H44 PolarHBondContact O-CD2 2.8Å; K41-H44 PolarHBondContact O-NE2 3.36Å; K41-E57 WeakPolarHBondContact CA-OE2 3.34Å; K41-E57 VanDerWaalsContact CB-CD 3.4Å; K41-E57 HydrophobicContact CB-CG 4.49Å; K41-E57 WeakPolarHBondContact CB-OE1 3.35Å; K41-E57 WeakPolarHBondContact CB-OE2 3.49Å; K41-E57 VanDerWaalsContact CG-OE2 3.25Å; K41-E57 WeakPolarHBondContact CG-OE2 3.48Å; K41-E57 PolarHBondContact N-OE2 2.04Å
42	G	88.8	Confident	92.1	Very high	44 Å²	44	55.2 Å²	55.2	45%	0.454	34%	0.338	S	S	.	.			trans	-95.4	-177.2	172.9	0	0	0	0	0	112.6	S40	S40-G42 PolarHBondContact O-N 2.81Å
43	G	87.9	Confident	90.5	Very high	61 Å²	61	60.8 Å²	60.8	63%	0.629	36%	0.363	S	S	*	.			trans	83	17.1	-178.5	0	0	0	0	0	113.6	W130	G43-W130 PolarHBondContact N-O 3.12Å
44	H	92	Very high	89	Confident	79 Å²	79	60.3 Å²	60.3	37%	0.366	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-80.4	168.1	166.5	-58.4	-79.7	0	0	0	110.6	K41 V48 W130	K41-H44 PolarHBondContact O-CD2 2.8Å; K41-H44 PolarHBondContact O-NE2 3.36Å; H44-V48 HydrophobicContact CB-CB 3.83Å; H44-V48 HydrophobicContact CB-CG2 3.95Å; H44-W130 HydrophobicContact CB-CB 4.2Å; H44-W130 WeakPolarHBondContact CB-O 3.26Å; H44-W130 PolarHBondContact N-O 3.48Å; H44-W130 VanDerWaalsContact N-O 3.17Å; H44-W130 PolarHBondContact O-N 2.73Å
45	D	94.8	Very high	87.3	Confident	84 Å²	84	63.6 Å²	63.6	45%	0.449	38%	0.377	S	S	.	.			trans	-100.2	-174.7	167.5	64.3	22.9	0	0	0	110.6	T47 V48 W130	D45-T47 PolarHBondContact O-N 2.87Å; D45-T47 WeakPolarHBondContact OD1-CA 3.44Å; D45-T47 VanDerWaalsContact OD1-CB 3.26Å; D45-T47 WeakPolarHBondContact OD1-CB 3.36Å; D45-T47 PolarHBondContact OD1-N 2.87Å; D45-T47 PolarHBondContact OD1-OG1 3.23Å; D45-V48 PolarHBondContact O-N 2.8Å; D45-V48 VanDerWaalsContact O-N 3.14Å; D45-W130 WeakPolarHBondContact O-CB 3.47Å
46	Q	92.8	Very high	85.9	Confident	79 Å²	79	65.3 Å²	65.3	37%	0.369	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.2	179	70.3	-170.1	31	0	0	114.4	V48 W130 D305 F306	Q46-V48 VanDerWaalsContact C-N 3.32Å; Q46-W130 HydrophobicContact CB-CD2 4.37Å; Q46-W130 HydrophobicContact CB-CZ2 3.81Å; Q46-D305 PolarHBondContact OE1-O 3.09Å; Q46-D305 VanDerWaalsContact OE1-O 3.09Å; Q46-F306 HydrophobicContact CB-CE1 4.14Å; Q46-F306 WeakPolarHBondContact O-CE1 3.34Å
47	T	93.1	Very high	85.3	Confident	112 Å²	112	68.9 Å²	68.9	69%	0.687	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.7	176.7	74.4	0	0	0	0	113.2	D45 N49	D45-T47 PolarHBondContact O-N 2.87Å; D45-T47 WeakPolarHBondContact OD1-CA 3.44Å; D45-T47 VanDerWaalsContact OD1-CB 3.26Å; D45-T47 WeakPolarHBondContact OD1-CB 3.36Å; D45-T47 PolarHBondContact OD1-N 2.87Å; D45-T47 PolarHBondContact OD1-OG1 3.23Å; T47-N49 PolarHBondContact O-N 2.02Å
48	V	93.4	Very high	85	Confident	18 Å²	18	71.7 Å²	71.7	11%	0.109	43%	0.428	C	S	.	.			trans	-54.8	131.6	177.8	68.9	0	0	0	0	111.5	H44 D45 Q46 W130	H44-V48 HydrophobicContact CB-CB 3.83Å; H44-V48 HydrophobicContact CB-CG2 3.95Å; D45-V48 PolarHBondContact O-N 2.8Å; D45-V48 VanDerWaalsContact O-N 3.14Å; Q46-V48 VanDerWaalsContact C-N 3.32Å; V48-W130 HydrophobicContact CG1-CB 3.9Å; V48-W130 HydrophobicContact CG1-CE3 4.22Å
49	N	91.1	Very high	84.9	Confident	108 Å²	108	71.7 Å²	71.7	58%	0.578	43%	0.434	S	S	*	.			trans	-97.7	105.8	177.7	-175.4	-17.6	0	0	0	109.8	T47 S51	T47-N49 PolarHBondContact O-N 2.02Å; N49-S51 VanDerWaalsContact C-N 3.34Å; N49-S51 WeakPolarHBondContact OD1-CB 3.44Å; N49-S51 PolarHBondContact OD1-N 2.94Å; N49-S51 PolarHBondContact OD1-OG 2.93Å
50	C	90.6	Very high	84.9	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.034	45%	0.445	C	S	.	.			trans	-92.8	15.2	-179.3	-62.1	0	0	0	0	113.9	A52 P119 C132	C50-A52 PolarHBondContact O-N 2.85Å; C50-P119 WeakPolarHBondContact O-CB 3.34Å; C50-C132 WeakPolarHBondContact CA-SG 3.07Å; C50-C132 HydrophobicContact CB-CB 3.73Å; C50-C132 WeakPolarHBondContact CB-SG 3.49Å; C50-C132 VanDerWaalsContact SG-CA 3.52Å; C50-C132 WeakPolarHBondContact SG-CB 3.3Å; C50-C132 CovalentContact SG-SG 2.04Å; C50-C132 PolarHBondContact SG-SG 2.96Å
51	S	80.8	Confident	85	Confident	98 Å²	98	74.2 Å²	74.2	69%	0.685	45%	0.449	S	S	*	.	S	Bend	trans	-68.7	-17.3	179.2	63	0	0	0	0	113.8	N49	N49-S51 VanDerWaalsContact C-N 3.34Å; N49-S51 WeakPolarHBondContact OD1-CB 3.44Å; N49-S51 PolarHBondContact OD1-N 2.94Å; N49-S51 PolarHBondContact OD1-OG 2.93Å
52	A	67.7	Low	85.4	Confident	69 Å²	69	68.2 Å²	68.2	57%	0.57	42%	0.423	S	S	*	.	S	Bend	trans	-99.6	149.9	172.4	0	0	0	0	0	111.8	C50 A54	C50-A52 PolarHBondContact O-N 2.85Å; A52-A54 PolarHBondContact O-N 3.3Å
53	E	62.9	Low	85.9	Confident	158 Å²	158	68.1 Å²	68.1	74%	0.738	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-58.4	132.8	-179.9	-71	-173.4	158	0	0	111.8	T55	E53-T55 PolarHBondContact O-N 2.9Å
54	A	65.7	Low	86.4	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-58.6	126.3	174	0	0	0	0	0	109.8	A52 G56 C132	A52-A54 PolarHBondContact O-N 3.3Å; A54-G56 PolarHBondContact O-N 2.85Å; A54-C132 HydrophobicContact CB-CB 4.45Å
55	T	64.6	Low	86.6	Confident	117 Å²	117	66.5 Å²	66.5	72%	0.718	39%	0.39	S	S	*	.			trans	-73	7.5	-174.2	54.8	0	0	0	0	114.8	E53	E53-T55 PolarHBondContact O-N 2.9Å
56	G	68.4	Low	86.6	Confident	35 Å²	35	70.4 Å²	70.4	36%	0.361	40%	0.403	S	S	.	.			trans	64.7	43.2	173.6	0	0	0	0	0	114.9	V39 A54 S58	V39-G56 CarbonylContact O-C 3.57Å; A54-G56 PolarHBondContact O-N 2.85Å; G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 3Å
57	E	84.1	Confident	86.6	Confident	120 Å²	120	71.8 Å²	71.8	56%	0.561	41%	0.413	S	S	*	.	S	Bend	trans	-65.9	-31.9	178.5	-71	-160.4	173.7	0	0	112.9	V39 K41	V39-E57 PolarHBondContact O-N 2.87Å; K41-E57 WeakPolarHBondContact CA-OE2 3.34Å; K41-E57 VanDerWaalsContact CB-CD 3.4Å; K41-E57 HydrophobicContact CB-CG 4.49Å; K41-E57 WeakPolarHBondContact CB-OE1 3.35Å; K41-E57 WeakPolarHBondContact CB-OE2 3.49Å; K41-E57 VanDerWaalsContact CG-OE2 3.25Å; K41-E57 WeakPolarHBondContact CG-OE2 3.48Å; K41-E57 PolarHBondContact N-OE2 2.04Å
58	S	91.1	Very high	86.8	Confident	59 Å²	59	67.6 Å²	67.6	41%	0.413	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.5	174.8	63.3	0	0	0	0	111.9	V39 G56	V39-S58 PolarHBondContact N-O 2.98Å; V39-S58 PolarHBondContact O-N 2.98Å; G56-S58 VanDerWaalsContact C-N 3.3Å; G56-S58 PolarHBondContact O-N 3Å
59	T	93.6	Very high	87	Confident	95 Å²	95	69.4 Å²	69.4	58%	0.583	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	179.4	53.8	0	0	0	0	110.9	V36 F37 Q38	V36-T59 HydrophobicContact CG1-CG2 4.46Å; F37-T59 CarbonylContact O-C 3.56Å; F37-T59 VanDerWaalsContact O-CA 3.28Å; F37-T59 WeakPolarHBondContact O-CA 3.37Å; Q38-T59 HydrophobicContact CG-CG2 4.37Å
60	V	95.1	Very high	87.3	Confident	48 Å²	48	64.3 Å²	64.3	29%	0.291	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.6	173.7	-179.5	0	0	0	0	108.9	F37 V39 V62 W97	F37-V60 HydrophobicContact CB-CB 4.41Å; F37-V60 WeakPolarHBondContact CB-O 3.29Å; F37-V60 PolarHBondContact N-O 2.99Å; F37-V60 PolarHBondContact O-N 2.59Å; V39-V60 HydrophobicContact CG2-CG2 4.23Å; V60-V62 HydrophobicContact CG1-CG2 4.04Å; V60-W97 HydrophobicContact CB-CH2 3.92Å; V60-W97 HydrophobicContact CB-CZ2 4.36Å; V60-W97 HydrophobicContact CG1-CH2 4.19Å; V60-W97 HydrophobicContact CG1-CZ2 4.12Å; V60-W97 HydrophobicContact CG2-CH2 3.76Å; V60-W97 HydrophobicContact CG2-CZ2 4.29Å
61	T	97.4	Very high	87.7	Confident	31 Å²	31	65.3 Å²	65.3	19%	0.19	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.7	175.1	-51.4	0	0	0	0	109.9	T34 W35 E73	T34-T61 HydrophobicContact CG2-CG2 3.38Å; W35-T61 WeakPolarHBondContact O-CA 3.25Å; T61-E73 WeakPolarHBondContact CB-OE1 3.26Å; T61-E73 HydrophobicContact CG2-CG 4.36Å; T61-E73 PolarHBondContact OG1-OE1 2.86Å
62	V	98.1	Very high	88.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.1	178.3	-176.4	0	0	0	0	109.8	T34 W35 F37 V60 L64 A70 V90 L92	T34-V62 CarbonylContact C-O 3.57Å; T34-V62 WeakPolarHBondContact CA-O 3.4Å; W35-V62 PolarHBondContact N-O 3.27Å; W35-V62 PolarHBondContact O-N 3.41Å; F37-V62 HydrophobicContact CD2-CG2 3.87Å; F37-V62 HydrophobicContact CE2-CB 4.02Å; F37-V62 HydrophobicContact CE2-CG2 3.57Å; F37-V62 HydrophobicContact CZ-CB 4.37Å; F37-V62 HydrophobicContact CZ-CG2 4.39Å; V60-V62 HydrophobicContact CG1-CG2 4.04Å; V62-L64 HydrophobicContact CG1-CD2 3.68Å; V62-A70 HydrophobicContact CG1-CB 4.13Å; V62-V90 HydrophobicContact CG1-CG1 4.31Å; V62-L92 HydrophobicContact CB-CD2 4.44Å; V62-L92 HydrophobicContact CG1-CD2 3.78Å; V62-L92 HydrophobicContact CG2-CD2 3.9Å
63	T	98.4	Very high	89.5	Confident	43 Å²	43	66.3 Å²	66.3	26%	0.264	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.2	172	-62.4	0	0	0	0	109.9	T34 E65 A70 T71	T34-T63 PolarHBondContact OG1-OG1 3.3Å; T34-T63 VanDerWaalsContact OG1-OG1 3.08Å; T63-E65 HydrophobicContact CG2-CG 3.86Å; T63-A70 CarbonylContact O-C 2.88Å; T63-A70 WeakPolarHBondContact O-CA 3.27Å; T63-T71 PolarHBondContact N-O 3.31Å; T63-T71 PolarHBondContact O-N 2.73Å
64	L	98.4	Very high	90.9	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.3	179.4	-53.8	-176.8	0	0	0	109.7	L31 G33 V62 A70 F80 V90	L31-L64 HydrophobicContact CD1-CD1 3.55Å; L31-L64 HydrophobicContact CG-CD1 3.82Å; G33-L64 PolarHBondContact N-O 3.16Å; G33-L64 PolarHBondContact O-N 3.46Å; V62-L64 HydrophobicContact CG1-CD2 3.68Å; L64-A70 HydrophobicContact CD2-CB 3.77Å; L64-F80 HydrophobicContact CB-CD1 4.03Å; L64-F80 HydrophobicContact CB-CE1 3.82Å; L64-F80 HydrophobicContact CB-CE2 4.4Å; L64-F80 HydrophobicContact CB-CG 4.41Å; L64-F80 HydrophobicContact CB-CZ 4.04Å; L64-F80 HydrophobicContact CD1-CD2 4.31Å; L64-F80 HydrophobicContact CD1-CG 4.4Å; L64-F80 HydrophobicContact CD2-CB 4Å; L64-F80 HydrophobicContact CD2-CD1 3.81Å; L64-F80 HydrophobicContact CD2-CE1 4.46Å; L64-F80 HydrophobicContact CD2-CG 3.87Å; L64-F80 HydrophobicContact CG-CD1 4.41Å; L64-F80 HydrophobicContact CG-CG 4.45Å; L64-V90 HydrophobicContact CD2-CG1 4.49Å; L64-V90 HydrophobicContact CD2-CG2 3.98Å
65	E	97.5	Very high	92.1	Very high	103 Å²	103	68.1 Å²	68.1	48%	0.481	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.8	-173.8	-58.6	-174.6	98.3	0	0	111.8	T63 S68 V69 F80	T63-E65 HydrophobicContact CG2-CG 3.86Å; E65-S68 PolarHBondContact O-N 3.06Å; E65-V69 PolarHBondContact N-O 3.31Å; E65-V69 PolarHBondContact O-N 3.19Å; E65-F80 VanDerWaalsContact O-CE1 3.3Å; E65-F80 WeakPolarHBondContact O-CE1 3.43Å
66	K	94.3	Very high	93.6	Very high	165 Å²	165	65.3 Å²	65.3	72%	0.717	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	141.4	178.3	63.6	174.7	-176.8	175.1	0	111.9	Y28 L32	Y28-K66 WeakPolarHBondContact OH-CA 3.42Å; L32-K66 HydrophobicContact CD1-CB 4.38Å
67	L	92.6	Very high	95	Very high	109 Å²	109	68.3 Å²	68.3	57%	0.571	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.1	-18	1	-67.5	173.6	0	0	0	114.6	Y28 F343	Y28-L67 WeakPolarHBondContact OH-CA 3.5Å; Y28-L67 PolarHBondContact OH-O 3.45Å; L67-F343 HydrophobicContact CB-CE1 4.38Å; L67-F343 HydrophobicContact CB-CE2 4.22Å; L67-F343 HydrophobicContact CB-CZ 3.87Å; L67-F343 HydrophobicContact CD1-CZ 4.14Å
68	S	96.3	Very high	95.6	Very high	23 Å²	23	63.9 Å²	63.9	16%	0.161	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-167.8	26.2	-173.9	52	0	0	0	0	112.5	E65 F79 F80	E65-S68 PolarHBondContact O-N 3.06Å; S68-F79 CarbonylContact O-C 3.18Å; S68-F79 WeakPolarHBondContact O-CA 3.49Å; S68-F79 WeakPolarHBondContact O-CD2 3.28Å; S68-F80 VanDerWaalsContact C-CD1 3.41Å; S68-F80 VanDerWaalsContact C-CE1 3.45Å; S68-F80 VanDerWaalsContact CB-O 3.27Å; S68-F80 WeakPolarHBondContact CB-O 3.31Å; S68-F80 PolarHBondContact O-N 3.02Å
69	V	97.9	Very high	95.9	Very high	57 Å²	57	64 Å²	64	35%	0.345	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.7	-175.8	-178.7	0	0	0	0	110	E65 F80	E65-V69 PolarHBondContact N-O 3.31Å; E65-V69 PolarHBondContact O-N 3.19Å; V69-F80 WeakPolarHBondContact O-CD1 3.38Å; V69-F80 VanDerWaalsContact O-CE1 3.31Å; V69-F80 WeakPolarHBondContact O-CE1 3.4Å
70	A	98.2	Very high	96.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.7	170.8	0	0	0	0	0	109.8	V62 T63 L64 T77 G78 F80 V90 L92	V62-A70 HydrophobicContact CG1-CB 4.13Å; T63-A70 CarbonylContact O-C 2.88Å; T63-A70 WeakPolarHBondContact O-CA 3.27Å; L64-A70 HydrophobicContact CD2-CB 3.77Å; A70-T77 CarbonylContact O-C 3.58Å; A70-T77 VanDerWaalsContact O-CA 3.32Å; A70-T77 WeakPolarHBondContact O-CA 3.46Å; A70-G78 PolarHBondContact N-O 2.98Å; A70-G78 PolarHBondContact O-N 2.89Å; A70-F80 HydrophobicContact CB-CB 4.45Å; A70-F80 HydrophobicContact CB-CD1 4.39Å; A70-V90 HydrophobicContact CB-CG1 3.63Å; A70-L92 HydrophobicContact CB-CD2 4.46Å
71	T	97.8	Very high	96.3	Very high	27 Å²	27	57.3 Å²	57.3	17%	0.166	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.7	-179	-49.1	0	0	0	0	110	T63 T76 T77	T63-T71 PolarHBondContact N-O 3.31Å; T63-T71 PolarHBondContact O-N 2.73Å; T71-T76 WeakPolarHBondContact CA-O 3.29Å; T71-T77 HydrophobicContact CG2-CG2 4.33Å
72	N	94.7	Very high	96.3	Very high	35 Å²	35	56 Å²	56	19%	0.187	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	176	172.1	68.3	13.1	0	0	0	111.9	L74 G75 T76 L92	N72-L74 PolarHBondContact O-N 2.83Å; N72-L74 VanDerWaalsContact O-N 3.16Å; N72-L74 WeakPolarHBondContact OD1-CA 2.88Å; N72-L74 WeakPolarHBondContact OD1-CB 3.36Å; N72-L74 PolarHBondContact OD1-N 2.91Å; N72-L74 VanDerWaalsContact OD1-N 3.07Å; N72-G75 PolarHBondContact O-N 3.08Å; N72-G75 PolarHBondContact OD1-N 3.42Å; N72-G75 VanDerWaalsContact OD1-N 3.16Å; N72-T76 PolarHBondContact N-O 3.01Å; N72-T76 VanDerWaalsContact N-O 3.08Å; N72-T76 VanDerWaalsContact ND2-CB 3.35Å; N72-T76 WeakPolarHBondContact ND2-CB 2.95Å; N72-T76 PolarHBondContact ND2-OG1 2.82Å; N72-T76 VanDerWaalsContact OD1-CB 3.29Å; N72-T76 WeakPolarHBondContact OD1-CB 3.33Å; N72-T76 PolarHBondContact OD1-N 3.16Å; N72-T76 PolarHBondContact OD1-OG1 2.97Å; N72-L92 HydrophobicContact CB-CD2 3.93Å
73	E	91.6	Very high	96.2	Very high	153 Å²	153	56 Å²	56	72%	0.715	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.3	179	-62.7	-179	175.2	0	0	114	T61 G75	T61-E73 WeakPolarHBondContact CB-OE1 3.26Å; T61-E73 HydrophobicContact CG2-CG 4.36Å; T61-E73 PolarHBondContact OG1-OE1 2.86Å; E73-G75 VanDerWaalsContact C-N 3.28Å
74	L	92.4	Very high	95.9	Very high	155 Å²	155	55 Å²	55	81%	0.812	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-1	177.5	-58.8	175.8	0	0	0	112.8	N72 T76	N72-L74 PolarHBondContact O-N 2.83Å; N72-L74 VanDerWaalsContact O-N 3.16Å; N72-L74 WeakPolarHBondContact OD1-CA 2.88Å; N72-L74 WeakPolarHBondContact OD1-CB 3.36Å; N72-L74 PolarHBondContact OD1-N 2.91Å; N72-L74 VanDerWaalsContact OD1-N 3.07Å; L74-T76 VanDerWaalsContact C-N 3.26Å; L74-T76 PolarHBondContact O-N 2.88Å
75	G	92.4	Very high	95.5	Very high	52 Å²	52	54.9 Å²	54.9	54%	0.536	30%	0.301	S	S	.	.			trans	75.8	11	-175.8	0	0	0	0	0	114.2	N72 E73 T77	N72-G75 PolarHBondContact O-N 3.08Å; N72-G75 PolarHBondContact OD1-N 3.42Å; N72-G75 VanDerWaalsContact OD1-N 3.16Å; E73-G75 VanDerWaalsContact C-N 3.28Å; G75-T77 PolarHBondContact O-N 2.86Å
76	T	95.9	Very high	95.3	Very high	58 Å²	58	50 Å²	50	36%	0.356	28%	0.278	S	S	.	.			trans	-65.9	130.1	168.1	-48.9	0	0	0	0	107.9	T71 N72 L74 L92	T71-T76 WeakPolarHBondContact CA-O 3.29Å; N72-T76 PolarHBondContact N-O 3.01Å; N72-T76 VanDerWaalsContact N-O 3.08Å; N72-T76 VanDerWaalsContact ND2-CB 3.35Å; N72-T76 WeakPolarHBondContact ND2-CB 2.95Å; N72-T76 PolarHBondContact ND2-OG1 2.82Å; N72-T76 VanDerWaalsContact OD1-CB 3.29Å; N72-T76 WeakPolarHBondContact OD1-CB 3.33Å; N72-T76 PolarHBondContact OD1-N 3.16Å; N72-T76 PolarHBondContact OD1-OG1 2.97Å; L74-T76 VanDerWaalsContact C-N 3.26Å; L74-T76 PolarHBondContact O-N 2.88Å; T76-L92 HydrophobicContact CG2-CD1 4.26Å; T76-L92 WeakPolarHBondContact O-CD1 3.32Å
77	T	97.2	Very high	95.4	Very high	99 Å²	99	42.2 Å²	42.2	61%	0.607	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	152.3	176.3	56	0	0	0	0	110.7	A70 T71 G75	A70-T77 CarbonylContact O-C 3.58Å; A70-T77 VanDerWaalsContact O-CA 3.32Å; A70-T77 WeakPolarHBondContact O-CA 3.46Å; T71-T77 HydrophobicContact CG2-CG2 4.33Å; G75-T77 PolarHBondContact O-N 2.86Å
78	G	97.1	Very high	95.7	Very high	27 Å²	27	37 Å²	37	28%	0.278	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	-160.3	-179.7	0	0	0	0	0	109.8	A70 V91	A70-G78 PolarHBondContact N-O 2.98Å; A70-G78 PolarHBondContact O-N 2.89Å; G78-V91 CarbonylContact C-O 3.59Å; G78-V91 VanDerWaalsContact CA-O 3.31Å; G78-V91 WeakPolarHBondContact CA-O 3.31Å
79	F	97.3	Very high	95.8	Very high	62 Å²	62	36 Å²	36	27%	0.272	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.8	-171.7	170.3	-96.7	0	0	0	110.8	S68 T81 V90 V91 G342 F343	S68-F79 CarbonylContact O-C 3.18Å; S68-F79 WeakPolarHBondContact O-CA 3.49Å; S68-F79 WeakPolarHBondContact O-CD2 3.28Å; F79-T81 HydrophobicContact CE1-CG2 4.08Å; F79-T81 HydrophobicContact CZ-CG2 4.35Å; F79-V90 CarbonylContact O-C 3.57Å; F79-V90 WeakPolarHBondContact O-CA 3.43Å; F79-V91 PolarHBondContact N-O 2.92Å; F79-V91 PolarHBondContact O-N 3.47Å; F79-G342 WeakPolarHBondContact CZ-O 3.09Å; F79-F343 HydrophobicContact CE2-CB 3.87Å; F79-F343 HydrophobicContact CZ-CB 3.77Å
80	F	98.3	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.8	162.7	79.3	-84.3	0	0	0	111.8	Y28 L31 L32 L64 E65 S68 V69 A70 E89 V90	Y28-F80 AromaticContact CE2-CE2 3.86Å; Y28-F80 HydrophobicContact CE2-CE2 3.86Å; Y28-F80 HydrophobicContact CE2-CZ 4.02Å; L31-F80 HydrophobicContact CD2-CD2 3.75Å; L31-F80 HydrophobicContact CD2-CE2 3.72Å; L31-F80 HydrophobicContact CG-CD2 4.42Å; L31-F80 HydrophobicContact CG-CE2 4.22Å; L32-F80 HydrophobicContact CD2-CE2 4.48Å; L32-F80 HydrophobicContact CD2-CZ 3.74Å; L64-F80 HydrophobicContact CB-CD1 4.03Å; L64-F80 HydrophobicContact CB-CE1 3.82Å; L64-F80 HydrophobicContact CB-CE2 4.4Å; L64-F80 HydrophobicContact CB-CG 4.41Å; L64-F80 HydrophobicContact CB-CZ 4.04Å; L64-F80 HydrophobicContact CD1-CD2 4.31Å; L64-F80 HydrophobicContact CD1-CG 4.4Å; L64-F80 HydrophobicContact CD2-CB 4Å; L64-F80 HydrophobicContact CD2-CD1 3.81Å; L64-F80 HydrophobicContact CD2-CE1 4.46Å; L64-F80 HydrophobicContact CD2-CG 3.87Å; L64-F80 HydrophobicContact CG-CD1 4.41Å; L64-F80 HydrophobicContact CG-CG 4.45Å; E65-F80 VanDerWaalsContact O-CE1 3.3Å; E65-F80 WeakPolarHBondContact O-CE1 3.43Å; S68-F80 VanDerWaalsContact C-CD1 3.41Å; S68-F80 VanDerWaalsContact C-CE1 3.45Å; S68-F80 VanDerWaalsContact CB-O 3.27Å; S68-F80 WeakPolarHBondContact CB-O 3.31Å; S68-F80 PolarHBondContact O-N 3.02Å; V69-F80 WeakPolarHBondContact O-CD1 3.38Å; V69-F80 VanDerWaalsContact O-CE1 3.31Å; V69-F80 WeakPolarHBondContact O-CE1 3.4Å; A70-F80 HydrophobicContact CB-CB 4.45Å; A70-F80 HydrophobicContact CB-CD1 4.39Å; F80-E89 CarbonylContact C-O 3.46Å; F80-E89 WeakPolarHBondContact CA-O 3.43Å; F80-E89 WeakPolarHBondContact CB-O 3.46Å; F80-V90 HydrophobicContact CB-CB 4.41Å; F80-V90 HydrophobicContact CB-CG1 4.49Å; F80-V90 HydrophobicContact CB-CG2 3.95Å
81	T	98.2	Very high	95.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.4	166.6	-173	0	0	0	0	110.7	F79 F88 E89 Y297 Y339 Y344	F79-T81 HydrophobicContact CE1-CG2 4.08Å; F79-T81 HydrophobicContact CZ-CG2 4.35Å; T81-F88 VanDerWaalsContact O-CA 3.32Å; T81-F88 WeakPolarHBondContact O-CA 3.39Å; T81-F88 WeakPolarHBondContact O-CB 3.39Å; T81-E89 PolarHBondContact N-O 3.3Å; T81-E89 PolarHBondContact O-N 3.35Å; T81-Y297 HydrophobicContact CG2-CE1 4.37Å; T81-Y297 HydrophobicContact CG2-CE2 3.9Å; T81-Y297 VanDerWaalsContact CG2-OH 3.3Å; T81-Y297 WeakPolarHBondContact CG2-OH 2.96Å; T81-Y339 HydrophobicContact CG2-CD2 4.22Å; T81-Y339 HydrophobicContact CG2-CE2 4.24Å; T81-Y344 PolarHBondContact OG1-N 3.12Å
82	L	96.9	Very high	95.8	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.8	159.3	-171.6	72.5	0	0	0	108.5	Y28 L31 Y84 G87 F101 Y339 Y344	Y28-L82 HydrophobicContact CD2-CB 4.38Å; L31-L82 HydrophobicContact CB-CD1 4.38Å; L31-L82 HydrophobicContact CD2-CB 4.02Å; L31-L82 HydrophobicContact CD2-CD1 3.8Å; L82-Y84 WeakPolarHBondContact CD2-O 3.04Å; L82-Y84 WeakPolarHBondContact CG-O 3.22Å; L82-G87 WeakPolarHBondContact CD1-O 3.43Å; L82-F101 HydrophobicContact CD1-CE2 3.64Å; L82-F101 HydrophobicContact CD1-CZ 3.84Å; L82-Y339 WeakPolarHBondContact O-CE2 3.31Å; L82-Y344 HydrophobicContact CB-CD1 4.21Å; L82-Y344 HydrophobicContact CD2-CD1 4Å; L82-Y344 HydrophobicContact CD2-CE1 4.19Å; L82-Y344 HydrophobicContact CG-CD1 4.37Å; L82-Y344 WeakPolarHBondContact O-CB 3.44Å
83	I	95.9	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	95.2	173.6	-57.4	176	0	0	0	106.9	N85 Q86 G87 E89 F98 F295 Y297 L298	I83-N85 PolarHBondContact O-N 3.48Å; I83-Q86 WeakPolarHBondContact O-CB 3.45Å; I83-Q86 PolarHBondContact O-N 3.03Å; I83-G87 PolarHBondContact N-O 3.37Å; I83-E89 HydrophobicContact CD1-CB 4.31Å; I83-F98 HydrophobicContact CD1-CD2 3.93Å; I83-F98 HydrophobicContact CD1-CE2 3.89Å; I83-F295 HydrophobicContact CG2-CB 4.3Å; I83-F295 HydrophobicContact CG2-CG 4.35Å; I83-Y297 HydrophobicContact CD1-CD1 3.75Å; I83-Y297 HydrophobicContact CD1-CE1 3.82Å; I83-Y297 HydrophobicContact CG1-CD1 4.01Å; I83-Y297 HydrophobicContact CG1-CE1 4.14Å; I83-L298 HydrophobicContact CD1-CD1 4.49Å; I83-L298 HydrophobicContact CD1-CD2 3.52Å; I83-L298 HydrophobicContact CD1-CG 4.03Å; I83-L298 HydrophobicContact CG2-CD1 4.14Å; I83-L298 HydrophobicContact CG2-CG 4.08Å
84	Y	92.3	Very high	96	Very high	21 Å²	21	33.4 Å²	33.4	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-102.2	-172.5	-173.1	-122.6	0	0	0	112.5	L82 Q86 I204 F295 Y344 I445	L82-Y84 WeakPolarHBondContact CD2-O 3.04Å; L82-Y84 WeakPolarHBondContact CG-O 3.22Å; Y84-Q86 HydrophobicContact CD1-CG 4.4Å; Y84-I204 HydrophobicContact CD1-CD1 4.45Å; Y84-I204 HydrophobicContact CD2-CD1 4.09Å; Y84-I204 HydrophobicContact CE1-CD1 3.85Å; Y84-I204 HydrophobicContact CE2-CD1 3.42Å; Y84-I204 VanDerWaalsContact CE2-CD1 3.42Å; Y84-I204 WeakPolarHBondContact OH-CD1 3.38Å; Y84-F295 AromaticContact CD1-CE1 3.42Å; Y84-F295 HydrophobicContact CD1-CE1 3.42Å; Y84-F295 VanDerWaalsContact CD1-CE1 3.42Å; Y84-F295 AromaticContact CD1-CZ 3.54Å; Y84-F295 HydrophobicContact CD1-CZ 3.54Å; Y84-F295 HydrophobicContact CE1-CE1 4.34Å; Y84-F295 HydrophobicContact CE1-CZ 4.35Å; Y84-F295 HydrophobicContact CG-CD1 4.45Å; Y84-F295 AromaticContact CG-CE1 3.55Å; Y84-F295 HydrophobicContact CG-CE1 3.55Å; Y84-F295 HydrophobicContact CG-CZ 4.12Å; Y84-Y344 HydrophobicContact CD2-CE2 4.28Å; Y84-Y344 AromaticContact CD2-CZ 3.9Å; Y84-Y344 VanDerWaalsContact CD2-OH 3.3Å; Y84-Y344 WeakPolarHBondContact CD2-OH 3.46Å; Y84-Y344 VanDerWaalsContact O-CE1 3.26Å; Y84-Y344 WeakPolarHBondContact O-CE1 3.03Å; Y84-I445 HydrophobicContact CD2-CD1 4.02Å; Y84-I445 HydrophobicContact CG-CD1 4.39Å
85	N	90.8	Very high	96.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	15.8	173.3	67.3	-14	0	0	0	112.5	N25 C26 I83 S202 I204	N25-N85 PolarHBondContact OD1-ND2 3.2Å; C26-N85 PolarHBondContact N-O 3.1Å; C26-N85 VanDerWaalsContact O-CA 3.3Å; C26-N85 WeakPolarHBondContact O-CA 3.31Å; C26-N85 VanDerWaalsContact O-CB 3.23Å; C26-N85 WeakPolarHBondContact O-CB 3.44Å; I83-N85 PolarHBondContact O-N 3.48Å; N85-S202 WeakPolarHBondContact ND2-CB 3.21Å; N85-S202 PolarHBondContact ND2-OG 2.89Å; N85-S202 VanDerWaalsContact ND2-OG 3.09Å; N85-I204 HydrophobicContact CB-CD1 3.92Å; N85-I204 HydrophobicContact CB-CG1 4.36Å
86	Q	92.6	Very high	96.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-36.2	-160.7	-62.8	-71.6	-59.5	0	0	113.4	T22 A24 I83 Y84 F100 F101 F295	T22-Q86 VanDerWaalsContact CB-OE1 3.24Å; T22-Q86 PolarHBondContact O-NE2 2.76Å; T22-Q86 PolarHBondContact O-OE1 2.86Å; T22-Q86 PolarHBondContact OG1-OE1 3.21Å; A24-Q86 PolarHBondContact O-NE2 2.88Å; A24-Q86 VanDerWaalsContact O-NE2 3.11Å; I83-Q86 WeakPolarHBondContact O-CB 3.45Å; I83-Q86 PolarHBondContact O-N 3.03Å; Y84-Q86 HydrophobicContact CD1-CG 4.4Å; Q86-F100 HydrophobicContact CB-CD1 4.06Å; Q86-F100 HydrophobicContact CB-CE1 4.21Å; Q86-F100 CarbonylContact O-C 3.21Å; Q86-F100 WeakPolarHBondContact O-CA 3.45Å; Q86-F101 VanDerWaalsContact C-CD2 3.43Å; Q86-F101 WeakPolarHBondContact O-CD2 3.21Å; Q86-F101 PolarHBondContact O-N 2.79Å; Q86-F295 HydrophobicContact CB-CE2 4.45Å; Q86-F295 HydrophobicContact CG-CD2 4.18Å; Q86-F295 HydrophobicContact CG-CE1 4.46Å; Q86-F295 HydrophobicContact CG-CE2 3.41Å; Q86-F295 VanDerWaalsContact CG-CE2 3.41Å; Q86-F295 HydrophobicContact CG-CZ 3.56Å
87	G	96.6	Very high	96.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-165.4	-173.6	0	0	0	0	0	110.8	L82 I83 A99	L82-G87 WeakPolarHBondContact CD1-O 3.43Å; I83-G87 PolarHBondContact N-O 3.37Å; G87-A99 WeakPolarHBondContact CA-O 3.39Å
88	F	98.5	Very high	96.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155	179.9	59.2	-96.1	0	0	0	111.5	L31 W35 F37 T81 V90 F98 A99 F101 T117	L31-F88 HydrophobicContact CD1-CB 3.84Å; L31-F88 HydrophobicContact CD1-CD1 3.33Å; L31-F88 HydrophobicContact CD1-CD2 4.33Å; L31-F88 HydrophobicContact CD1-CE1 3.86Å; L31-F88 HydrophobicContact CD1-CG 3.58Å; L31-F88 HydrophobicContact CD2-CB 3.67Å; L31-F88 HydrophobicContact CD2-CG 4.36Å; L31-F88 HydrophobicContact CG-CB 4.44Å; W35-F88 HydrophobicContact CE3-CZ 4.42Å; W35-F88 HydrophobicContact CH2-CE1 4.17Å; W35-F88 HydrophobicContact CZ2-CE1 4.4Å; W35-F88 HydrophobicContact CZ3-CE1 4.28Å; W35-F88 HydrophobicContact CZ3-CZ 4.48Å; F37-F88 HydrophobicContact CE1-CE2 4.17Å; F37-F88 HydrophobicContact CE1-CZ 4.06Å; F37-F88 AromaticContact CZ-CE2 3.9Å; F37-F88 HydrophobicContact CZ-CE2 3.9Å; F37-F88 HydrophobicContact CZ-CZ 4.25Å; T81-F88 VanDerWaalsContact O-CA 3.32Å; T81-F88 WeakPolarHBondContact O-CA 3.39Å; T81-F88 WeakPolarHBondContact O-CB 3.39Å; F88-V90 HydrophobicContact CD2-CG2 3.86Å; F88-V90 HydrophobicContact CE2-CG2 4.1Å; F88-F98 WeakPolarHBondContact O-CD2 3.35Å; F88-A99 PolarHBondContact N-O 2.86Å; F88-A99 VanDerWaalsContact N-O 3.12Å; F88-A99 PolarHBondContact O-N 3.32Å; F88-F101 AromaticContact CD1-CE1 3.79Å; F88-F101 HydrophobicContact CD1-CE1 3.79Å; F88-F101 AromaticContact CD1-CZ 3.86Å; F88-F101 HydrophobicContact CD1-CZ 3.86Å; F88-F101 HydrophobicContact CE1-CE1 4.02Å; F88-T117 HydrophobicContact CE1-CG2 3.57Å; F88-T117 HydrophobicContact CZ-CG2 3.65Å
89	E	98.7	Very high	96.8	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.4	165.1	-173.4	175.5	-127.1	0	0	110	F80 T81 I83 W97 Y297 K301 Y337	F80-E89 CarbonylContact C-O 3.46Å; F80-E89 WeakPolarHBondContact CA-O 3.43Å; F80-E89 WeakPolarHBondContact CB-O 3.46Å; T81-E89 PolarHBondContact N-O 3.3Å; T81-E89 PolarHBondContact O-N 3.35Å; I83-E89 HydrophobicContact CD1-CB 4.31Å; E89-W97 CarbonylContact C-O 3.54Å; E89-W97 WeakPolarHBondContact CA-O 3.32Å; E89-Y297 HydrophobicContact CB-CE1 4.26Å; E89-Y297 WeakPolarHBondContact OE2-CE1 3.24Å; E89-Y297 VanDerWaalsContact OE2-CZ 3.3Å; E89-Y297 PolarHBondContact OE2-OH 2.78Å; E89-K301 WeakPolarHBondContact OE1-CD 3.36Å; E89-K301 IonicContact OE1-NZ 3.79Å; E89-Y337 PolarHBondContact OE1-OH 2.91Å; E89-Y337 WeakPolarHBondContact OE2-CE2 3.18Å; E89-Y337 PolarHBondContact OE2-OH 3.1Å
90	V	98.6	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.3	171.4	-175.3	0	0	0	0	108.7	F37 V62 L64 A70 F79 F80 F88 L92 K96 W97	F37-V90 HydrophobicContact CZ-CG2 4.49Å; V62-V90 HydrophobicContact CG1-CG1 4.31Å; L64-V90 HydrophobicContact CD2-CG1 4.49Å; L64-V90 HydrophobicContact CD2-CG2 3.98Å; A70-V90 HydrophobicContact CB-CG1 3.63Å; F79-V90 CarbonylContact O-C 3.57Å; F79-V90 WeakPolarHBondContact O-CA 3.43Å; F80-V90 HydrophobicContact CB-CB 4.41Å; F80-V90 HydrophobicContact CB-CG1 4.49Å; F80-V90 HydrophobicContact CB-CG2 3.95Å; F88-V90 HydrophobicContact CD2-CG2 3.86Å; F88-V90 HydrophobicContact CE2-CG2 4.1Å; V90-L92 HydrophobicContact CG1-CB 3.97Å; V90-K96 CarbonylContact O-C 3.56Å; V90-K96 WeakPolarHBondContact O-CA 3.14Å; V90-W97 HydrophobicContact CB-CB 4.11Å; V90-W97 HydrophobicContact CB-CG 4.37Å; V90-W97 PolarHBondContact N-O 2.72Å; V90-W97 PolarHBondContact O-N 3.42Å
91	V	98.2	Very high	96.8	Very high	41 Å²	41	19.1 Å²	19.1	25%	0.248	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.2	170	-174	0	0	0	0	108	G78 F79 Y95 K96 V125	G78-V91 CarbonylContact C-O 3.59Å; G78-V91 VanDerWaalsContact CA-O 3.31Å; G78-V91 WeakPolarHBondContact CA-O 3.31Å; F79-V91 PolarHBondContact N-O 2.92Å; F79-V91 PolarHBondContact O-N 3.47Å; V91-Y95 CarbonylContact C-O 3.47Å; V91-Y95 WeakPolarHBondContact CA-O 3.29Å; V91-K96 HydrophobicContact CG1-CG 4.43Å; V91-K96 HydrophobicContact CG2-CG 4.16Å; V91-V125 HydrophobicContact CG1-CG1 4.34Å
92	L	97.6	Very high	96.7	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.063	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	129.1	-172.1	-177.7	63.1	0	0	0	111	V62 A70 N72 T76 V90 D94 Y95	V62-L92 HydrophobicContact CB-CD2 4.44Å; V62-L92 HydrophobicContact CG1-CD2 3.78Å; V62-L92 HydrophobicContact CG2-CD2 3.9Å; A70-L92 HydrophobicContact CB-CD2 4.46Å; N72-L92 HydrophobicContact CB-CD2 3.93Å; T76-L92 HydrophobicContact CG2-CD1 4.26Å; T76-L92 WeakPolarHBondContact O-CD1 3.32Å; V90-L92 HydrophobicContact CG1-CB 3.97Å; L92-D94 PolarHBondContact O-N 2.92Å; L92-Y95 PolarHBondContact N-O 2.79Å; L92-Y95 PolarHBondContact O-N 2.9Å; L92-Y95 VanDerWaalsContact O-N 3.12Å
93	G	94.8	Very high	96.6	Very high	40 Å²	40	25.4 Å²	25.4	41%	0.412	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	42.3	176.4	0	0	0	0	0	113.7	Y95	G93-Y95 VanDerWaalsContact O-CD2 3.3Å; G93-Y95 WeakPolarHBondContact O-CD2 3.33Å; G93-Y95 PolarHBondContact O-N 2.88Å
94	D	95.8	Very high	96.4	Very high	123 Å²	123	28 Å²	28	66%	0.658	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	18.1	-175.4	-58.8	-33.1	0	0	0	115.5	L92 D124 V125	L92-D94 PolarHBondContact O-N 2.92Å; D94-D124 CarbonylContact O-C 3.58Å; D94-D124 VanDerWaalsContact O-CA 3.25Å; D94-D124 WeakPolarHBondContact O-CA 3.46Å; D94-V125 HydrophobicContact CB-CG2 4.23Å; D94-V125 WeakPolarHBondContact O-CG1 3.43Å; D94-V125 PolarHBondContact O-N 2.87Å
95	Y	97.9	Very high	96.2	Very high	99 Å²	99	30 Å²	30	39%	0.388	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.9	170.5	-74.9	-94.9	0	0	0	112	V91 L92 G93 V122 H123 D124	V91-Y95 CarbonylContact C-O 3.47Å; V91-Y95 WeakPolarHBondContact CA-O 3.29Å; L92-Y95 PolarHBondContact N-O 2.79Å; L92-Y95 PolarHBondContact O-N 2.9Å; L92-Y95 VanDerWaalsContact O-N 3.12Å; G93-Y95 VanDerWaalsContact O-CD2 3.3Å; G93-Y95 WeakPolarHBondContact O-CD2 3.33Å; G93-Y95 PolarHBondContact O-N 2.88Å; Y95-V122 HydrophobicContact CD1-CG2 3.89Å; Y95-V122 HydrophobicContact CG-CG2 4.45Å; Y95-H123 CarbonylContact C-O 3.5Å; Y95-H123 WeakPolarHBondContact CA-O 3.38Å; Y95-H123 VanDerWaalsContact CD1-C 3.45Å; Y95-D124 HydrophobicContact CD1-CB 4.32Å; Y95-D124 HydrophobicContact CE1-CB 4.09Å
96	K	98.5	Very high	96.1	Very high	24 Å²	24	36.9 Å²	36.9	10%	0.104	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.6	169.7	-58.5	-166.6	172.8	-167.4	0	109.5	V90 V91 V122 H123 V125 Y337	V90-K96 CarbonylContact O-C 3.56Å; V90-K96 WeakPolarHBondContact O-CA 3.14Å; V91-K96 HydrophobicContact CG1-CG 4.43Å; V91-K96 HydrophobicContact CG2-CG 4.16Å; K96-V122 VanDerWaalsContact O-CA 3.27Å; K96-V122 WeakPolarHBondContact O-CA 3.2Å; K96-H123 PolarHBondContact N-O 3.28Å; K96-H123 PolarHBondContact O-N 2.96Å; K96-H123 VanDerWaalsContact O-N 3.09Å; K96-V125 HydrophobicContact CG-CG1 4.1Å; K96-Y337 PolarHBondContact NZ-OH 2.68Å
97	W	98.6	Very high	95.6	Very high	17 Å²	17	40 Å²	40	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.1	-179.4	-51.7	74.9	0	0	0	108.1	F37 V39 V60 E89 V90 V122 F133	F37-W97 HydrophobicContact CB-CE3 4.35Å; F37-W97 HydrophobicContact CB-CZ3 3.94Å; F37-W97 AromaticContact CD2-CD2 3.84Å; F37-W97 HydrophobicContact CD2-CD2 3.84Å; F37-W97 AromaticContact CD2-CE3 3.47Å; F37-W97 HydrophobicContact CD2-CE3 3.47Å; F37-W97 VanDerWaalsContact CD2-CE3 3.47Å; F37-W97 HydrophobicContact CD2-CG 4.49Å; F37-W97 HydrophobicContact CD2-CH2 4.32Å; F37-W97 AromaticContact CD2-CZ3 3.74Å; F37-W97 HydrophobicContact CD2-CZ3 3.74Å; F37-W97 HydrophobicContact CE2-CB 4.45Å; F37-W97 HydrophobicContact CE2-CD2 4.04Å; F37-W97 HydrophobicContact CE2-CE3 4.05Å; F37-W97 HydrophobicContact CE2-CG 4.22Å; F37-W97 HydrophobicContact CG-CE3 4.17Å; F37-W97 HydrophobicContact CG-CZ3 4.23Å; V39-W97 HydrophobicContact CG2-CH2 3.91Å; V39-W97 HydrophobicContact CG2-CZ3 3.77Å; V60-W97 HydrophobicContact CB-CH2 3.92Å; V60-W97 HydrophobicContact CB-CZ2 4.36Å; V60-W97 HydrophobicContact CG1-CH2 4.19Å; V60-W97 HydrophobicContact CG1-CZ2 4.12Å; V60-W97 HydrophobicContact CG2-CH2 3.76Å; V60-W97 HydrophobicContact CG2-CZ2 4.29Å; E89-W97 CarbonylContact C-O 3.54Å; E89-W97 WeakPolarHBondContact CA-O 3.32Å; V90-W97 HydrophobicContact CB-CB 4.11Å; V90-W97 HydrophobicContact CB-CG 4.37Å; V90-W97 PolarHBondContact N-O 2.72Å; V90-W97 PolarHBondContact O-N 3.42Å; W97-V122 HydrophobicContact CD2-CB 3.98Å; W97-V122 HydrophobicContact CD2-CG2 3.5Å; W97-V122 HydrophobicContact CE3-CB 3.59Å; W97-V122 HydrophobicContact CE3-CG1 4.23Å; W97-V122 HydrophobicContact CE3-CG2 3.55Å; W97-V122 HydrophobicContact CG-CG2 4.14Å; W97-V122 HydrophobicContact CH2-CB 4.4Å; W97-V122 HydrophobicContact CH2-CG1 4.5Å; W97-V122 HydrophobicContact CH2-CG2 3.79Å; W97-V122 HydrophobicContact CZ2-CG2 3.76Å; W97-V122 HydrophobicContact CZ3-CB 3.82Å; W97-V122 HydrophobicContact CZ3-CG1 3.98Å; W97-V122 HydrophobicContact CZ3-CG2 3.69Å; W97-F133 HydrophobicContact CB-CE1 4.28Å; W97-F133 HydrophobicContact CB-CZ 4.08Å; W97-F133 HydrophobicContact CE3-CD1 4.09Å; W97-F133 HydrophobicContact CE3-CD2 4.05Å; W97-F133 HydrophobicContact CE3-CE1 4.27Å; W97-F133 HydrophobicContact CE3-CE2 4.22Å; W97-F133 AromaticContact CE3-CG 3.98Å; W97-F133 HydrophobicContact CE3-CG 3.98Å; W97-F133 HydrophobicContact CE3-CZ 4.33Å; W97-F133 HydrophobicContact CZ3-CB 4.33Å; W97-F133 HydrophobicContact CZ3-CD2 4.41Å; W97-F133 HydrophobicContact CZ3-CG 4.21Å
98	F	98.5	Very high	94.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.6	176.4	164.6	-115.8	0	0	0	110.9	I83 F88 F100 G120 W121 F133 Y287 L298 K301	I83-F98 HydrophobicContact CD1-CD2 3.93Å; I83-F98 HydrophobicContact CD1-CE2 3.89Å; F88-F98 WeakPolarHBondContact O-CD2 3.35Å; F98-F100 HydrophobicContact CE1-CE2 4.21Å; F98-F100 HydrophobicContact CE2-CE1 4.49Å; F98-F100 HydrophobicContact CZ-CD1 4.29Å; F98-F100 AromaticContact CZ-CD2 3.98Å; F98-F100 HydrophobicContact CZ-CD2 3.98Å; F98-F100 HydrophobicContact CZ-CE1 4Å; F98-F100 AromaticContact CZ-CE2 3.67Å; F98-F100 HydrophobicContact CZ-CE2 3.67Å; F98-F100 HydrophobicContact CZ-CG 4.29Å; F98-F100 AromaticContact CZ-CZ 3.69Å; F98-F100 HydrophobicContact CZ-CZ 3.69Å; F98-G120 CarbonylContact O-C 3.5Å; F98-G120 WeakPolarHBondContact O-CA 3.37Å; F98-W121 AromaticContact CD1-CE3 3.76Å; F98-W121 HydrophobicContact CD1-CE3 3.76Å; F98-W121 HydrophobicContact CD1-CZ3 4.09Å; F98-W121 AromaticContact CE1-CE3 3.96Å; F98-W121 HydrophobicContact CE1-CE3 3.96Å; F98-W121 AromaticContact CE1-CZ3 3.79Å; F98-W121 HydrophobicContact CE1-CZ3 3.79Å; F98-W121 PolarHBondContact N-O 3.29Å; F98-W121 PolarHBondContact O-N 3.24Å; F98-F133 WeakPolarHBondContact O-CE1 3.36Å; F98-Y287 HydrophobicContact CD1-CD1 4.01Å; F98-Y287 AromaticContact CD1-CE1 3.96Å; F98-Y287 HydrophobicContact CD1-CE1 3.96Å; F98-Y287 HydrophobicContact CD1-CG 4.42Å; F98-Y287 AromaticContact CE1-CD1 3.58Å; F98-Y287 HydrophobicContact CE1-CD1 3.58Å; F98-Y287 HydrophobicContact CE1-CE1 4.01Å; F98-Y287 AromaticContact CE1-CG 3.95Å; F98-Y287 HydrophobicContact CE1-CG 3.95Å; F98-L298 HydrophobicContact CD1-CD2 4.36Å; F98-L298 HydrophobicContact CD2-CD2 3.79Å; F98-L298 HydrophobicContact CE1-CD2 3.97Å; F98-L298 HydrophobicContact CE2-CD1 3.99Å; F98-L298 HydrophobicContact CE2-CD2 3.38Å; F98-L298 HydrophobicContact CE2-CG 4.33Å; F98-L298 HydrophobicContact CG-CD2 4.29Å; F98-L298 HydrophobicContact CZ-CD1 3.73Å; F98-L298 HydrophobicContact CZ-CD2 3.46Å; F98-L298 VanDerWaalsContact CZ-CD2 3.46Å; F98-L298 HydrophobicContact CZ-CG 4.26Å; F98-K301 HydrophobicContact CB-CD 4.12Å; F98-K301 HydrophobicContact CD1-CD 4.28Å; F98-K301 HydrophobicContact CG-CD 4.18Å
99	A	98.1	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	150.3	169.7	0	0	0	0	0	111.6	G87 F88 T117 F133	G87-A99 WeakPolarHBondContact CA-O 3.39Å; F88-A99 PolarHBondContact N-O 2.86Å; F88-A99 VanDerWaalsContact N-O 3.12Å; F88-A99 PolarHBondContact O-N 3.32Å; A99-T117 HydrophobicContact CB-CG2 3.97Å; A99-F133 HydrophobicContact CB-CE1 4.19Å; A99-F133 HydrophobicContact CB-CE2 4.37Å; A99-F133 HydrophobicContact CB-CZ 3.71Å
100	F	97.7	Very high	93.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.057	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	150.3	163.7	-68.1	-69.1	0	0	0	110.6	T22 Q86 F98 T117 L118 L298	T22-F100 HydrophobicContact CG2-CD1 3.81Å; T22-F100 HydrophobicContact CG2-CD2 4.41Å; T22-F100 HydrophobicContact CG2-CE1 3.96Å; T22-F100 HydrophobicContact CG2-CG 4.05Å; T22-F100 HydrophobicContact CG2-CZ 4.32Å; Q86-F100 HydrophobicContact CB-CD1 4.06Å; Q86-F100 HydrophobicContact CB-CE1 4.21Å; Q86-F100 CarbonylContact O-C 3.21Å; Q86-F100 WeakPolarHBondContact O-CA 3.45Å; F98-F100 HydrophobicContact CE1-CE2 4.21Å; F98-F100 HydrophobicContact CE2-CE1 4.49Å; F98-F100 HydrophobicContact CZ-CD1 4.29Å; F98-F100 AromaticContact CZ-CD2 3.98Å; F98-F100 HydrophobicContact CZ-CD2 3.98Å; F98-F100 HydrophobicContact CZ-CE1 4Å; F98-F100 AromaticContact CZ-CE2 3.67Å; F98-F100 HydrophobicContact CZ-CE2 3.67Å; F98-F100 HydrophobicContact CZ-CG 4.29Å; F98-F100 AromaticContact CZ-CZ 3.69Å; F98-F100 HydrophobicContact CZ-CZ 3.69Å; F100-T117 CarbonylContact O-C 3.52Å; F100-T117 VanDerWaalsContact O-CA 3.31Å; F100-T117 WeakPolarHBondContact O-CA 3.44Å; F100-T117 WeakPolarHBondContact O-CB 3.49Å; F100-L118 HydrophobicContact CB-CD1 4.21Å; F100-L118 PolarHBondContact O-N 3.38Å; F100-L298 HydrophobicContact CE1-CD1 3.69Å; F100-L298 HydrophobicContact CZ-CD1 3.68Å
101	F	97.4	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147	170.4	-68.1	-68	0	0	0	110.8	A24 C26 L31 W35 L82 Q86 F88	A24-F101 HydrophobicContact CB-CB 4.06Å; C26-F101 HydrophobicContact CB-CB 4.49Å; C26-F101 HydrophobicContact CB-CD1 4.34Å; C26-F101 HydrophobicContact CB-CD2 3.37Å; C26-F101 HydrophobicContact CB-CE1 4.43Å; C26-F101 HydrophobicContact CB-CE2 3.51Å; C26-F101 HydrophobicContact CB-CG 3.83Å; C26-F101 HydrophobicContact CB-CZ 4.05Å; C26-F101 VanDerWaalsContact SG-CG 3.53Å; L31-F101 HydrophobicContact CB-CZ 4.32Å; L31-F101 HydrophobicContact CD1-CE1 4.27Å; L31-F101 HydrophobicContact CD1-CZ 4.09Å; W35-F101 HydrophobicContact CH2-CD1 4.47Å; W35-F101 HydrophobicContact CH2-CE1 4.12Å; W35-F101 HydrophobicContact CZ2-CE1 4.33Å; L82-F101 HydrophobicContact CD1-CE2 3.64Å; L82-F101 HydrophobicContact CD1-CZ 3.84Å; Q86-F101 VanDerWaalsContact C-CD2 3.43Å; Q86-F101 WeakPolarHBondContact O-CD2 3.21Å; Q86-F101 PolarHBondContact O-N 2.79Å; F88-F101 AromaticContact CD1-CE1 3.79Å; F88-F101 HydrophobicContact CD1-CE1 3.79Å; F88-F101 AromaticContact CD1-CZ 3.86Å; F88-F101 HydrophobicContact CD1-CZ 3.86Å; F88-F101 HydrophobicContact CE1-CE1 4.02Å
102	K	96.5	Very high	93.3	Very high	68 Å²	68	45 Å²	45	30%	0.296	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.4	178.6	-176.3	173.5	-178	175.3	0	110.5	Y113 Q116 L118	K102-Y113 HydrophobicContact CG-CD2 4.1Å; K102-Y113 PolarHBondContact O-N 3.21Å; K102-Q116 HydrophobicContact CB-CB 3.81Å; K102-Q116 HydrophobicContact CD-CB 3.86Å; K102-Q116 HydrophobicContact CG-CB 4.49Å; K102-Q116 PolarHBondContact N-O 3.22Å; K102-L118 HydrophobicContact CB-CD2 4.44Å; K102-L118 HydrophobicContact CG-CD2 4.24Å
103	Y	94.4	Very high	93.3	Very high	71 Å²	71	47.3 Å²	47.3	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	172.2	65.3	-89.2	0	0	0	110.9	P23 A24 T111 L118	P23-Y103 HydrophobicContact CB-CD2 3.98Å; P23-Y103 HydrophobicContact CB-CE2 4.24Å; P23-Y103 HydrophobicContact CB-CG 4.37Å; P23-Y103 VanDerWaalsContact CD-CZ 3.48Å; P23-Y103 HydrophobicContact CG-CD2 3.92Å; P23-Y103 HydrophobicContact CG-CE2 3.67Å; A24-Y103 HydrophobicContact CB-CD1 4.23Å; Y103-T111 CarbonylContact C-O 3.42Å; Y103-T111 WeakPolarHBondContact CA-O 3.39Å; Y103-L118 HydrophobicContact CD1-CD1 4.24Å; Y103-L118 HydrophobicContact CE1-CD1 3.72Å
104	T	93.1	Very high	93.4	Very high	53 Å²	53	45.4 Å²	45.4	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.8	163.4	56.4	0	0	0	0	109.3	V110 T111 Y113	T104-V110 WeakPolarHBondContact O-CA 3.34Å; T104-T111 PolarHBondContact N-O 2.9Å; T104-T111 PolarHBondContact O-N 2.04Å; T104-Y113 HydrophobicContact CG2-CE2 3.77Å
105	Q	87.8	Confident	93.5	Very high	64 Å²	64	40.1 Å²	40.1	30%	0.299	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.8	178.8	-177.2	169.2	-0.9	0	0	110.6	G107 K109 V110	Q105-G107 WeakPolarHBondContact CG-O 3.31Å; Q105-G107 PolarHBondContact NE2-O 3.13Å; Q105-K109 WeakPolarHBondContact CA-O 3.35Å; Q105-V110 HydrophobicContact CG-CG2 4.12Å
106	E	87.4	Confident	93.4	Very high	146 Å²	146	37.5 Å²	37.5	68%	0.682	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	96.4	176.9	-68.8	176.2	-173.6	0	0	108.2	S108 K109	E106-S108 PolarHBondContact O-N 3.01Å; E106-K109 PolarHBondContact N-O 2.95Å; E106-K109 PolarHBondContact O-N 2.85Å; E106-K109 VanDerWaalsContact O-N 3.1Å
107	G	83.3	Confident	93.4	Very high	66 Å²	66	36.7 Å²	36.7	68%	0.68	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-119.7	-171.2	0	0	0	0	0	111.3	Q105	Q105-G107 WeakPolarHBondContact CG-O 3.31Å; Q105-G107 PolarHBondContact NE2-O 3.13Å
108	S	78.1	Confident	93.3	Very high	44 Å²	44	38.2 Å²	38.2	31%	0.308	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	177.4	52.7	0	0	0	0	114.9	E106 K148	E106-S108 PolarHBondContact O-N 3.01Å; S108-K148 WeakPolarHBondContact CB-O 3.44Å; S108-K148 PolarHBondContact O-N 2.89Å
109	K	87.3	Confident	93.1	Very high	87 Å²	87	40 Å²	40	38%	0.378	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.7	179.6	-172.8	-176.2	176.6	-169.7	0	109	Q105 E106 I145	Q105-K109 WeakPolarHBondContact CA-O 3.35Å; E106-K109 PolarHBondContact N-O 2.95Å; E106-K109 PolarHBondContact O-N 2.85Å; E106-K109 VanDerWaalsContact O-N 3.1Å; K109-I145 HydrophobicContact CD-CG2 4.31Å; K109-I145 VanDerWaalsContact CE-CG2 3.46Å; K109-I145 HydrophobicContact CG-CG2 3.94Å
110	V	89.1	Confident	93	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.2	174.9	179	0	0	0	0	108.5	P23 T104 Q105 I145 D146 K148	P23-V110 HydrophobicContact CB-CB 4.29Å; P23-V110 HydrophobicContact CB-CG1 3.44Å; P23-V110 VanDerWaalsContact CB-CG1 3.44Å; P23-V110 HydrophobicContact CB-CG2 3.82Å; P23-V110 WeakPolarHBondContact O-CG1 3.42Å; T104-V110 WeakPolarHBondContact O-CA 3.34Å; Q105-V110 HydrophobicContact CG-CG2 4.12Å; V110-I145 WeakPolarHBondContact O-CA 3.46Å; V110-D146 PolarHBondContact N-O 3.43Å; V110-D146 PolarHBondContact O-N 2.8Å; V110-K148 HydrophobicContact CG2-CD 4.38Å; V110-K148 HydrophobicContact CG2-CG 4.37Å
111	T	93.6	Very high	93	Very high	18 Å²	18	40.3 Å²	40.3	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.4	172.1	-53.1	0	0	0	0	108.8	Y103 T104 Y113 P143 R144 I145	Y103-T111 CarbonylContact C-O 3.42Å; Y103-T111 WeakPolarHBondContact CA-O 3.39Å; T104-T111 PolarHBondContact N-O 2.9Å; T104-T111 PolarHBondContact O-N 2.04Å; T111-Y113 HydrophobicContact CG2-CE1 4.15Å; T111-Y113 HydrophobicContact CG2-CE2 3.95Å; T111-P143 HydrophobicContact CG2-CB 3.68Å; T111-R144 CarbonylContact C-O 3.57Å; T111-R144 WeakPolarHBondContact CA-O 3.31Å; T111-I145 HydrophobicContact CG2-CG1 4.24Å
112	S	94.6	Very high	93	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.7	175.5	-56.8	0	0	0	0	110.2	A24 N25 P143 R144	A24-S112 WeakPolarHBondContact CA-OG 3.37Å; N25-S112 PolarHBondContact N-OG 2.85Å; N25-S112 VanDerWaalsContact N-OG 3.07Å; S112-P143 CarbonylContact O-C 3.56Å; S112-P143 VanDerWaalsContact O-CA 3.28Å; S112-P143 WeakPolarHBondContact O-CA 3.45Å; S112-R144 PolarHBondContact N-O 3.32Å; S112-R144 PolarHBondContact O-N 3.48Å
113	Y	96.9	Very high	93.1	Very high	61 Å²	61	37.4 Å²	37.4	24%	0.239	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	79.3	174.9	-57.4	-89.6	0	0	0	108.9	K102 T104 T111 D115 Q116 P143	K102-Y113 HydrophobicContact CG-CD2 4.1Å; K102-Y113 PolarHBondContact O-N 3.21Å; T104-Y113 HydrophobicContact CG2-CE2 3.77Å; T111-Y113 HydrophobicContact CG2-CE1 4.15Å; T111-Y113 HydrophobicContact CG2-CE2 3.95Å; Y113-D115 PolarHBondContact O-N 3.09Å; Y113-D115 VanDerWaalsContact O-N 3.11Å; Y113-Q116 PolarHBondContact O-N 3.43Å; Y113-P143 HydrophobicContact CD1-CB 4.14Å; Y113-P143 HydrophobicContact CD1-CG 3.84Å; Y113-P143 HydrophobicContact CE1-CB 4.24Å; Y113-P143 HydrophobicContact CE1-CG 3.94Å
114	C	96.3	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-4.8	-171.9	-56.9	0	0	0	0	114.7	C26 D30 W35	C26-C114 WeakPolarHBondContact CA-SG 3.18Å; C26-C114 HydrophobicContact CB-CB 3.65Å; C26-C114 WeakPolarHBondContact CB-SG 3.38Å; C26-C114 WeakPolarHBondContact SG-CA 3.35Å; C26-C114 WeakPolarHBondContact SG-CB 3.5Å; C26-C114 CovalentContact SG-SG 2.04Å; C26-C114 PolarHBondContact SG-SG 3.22Å; D30-C114 HydrophobicContact CB-CB 3.62Å; W35-C114 WeakPolarHBondContact CH2-O 3.02Å
115	D	97.6	Very high	93.5	Very high	11 Å²	11	35 Å²	35	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	5.3	169.8	66.2	-8.6	0	0	0	113.4	W35 Y113 K136 R137 P140 V141	W35-D115 WeakPolarHBondContact CZ3-O 3.14Å; Y113-D115 PolarHBondContact O-N 3.09Å; Y113-D115 VanDerWaalsContact O-N 3.11Å; D115-K136 CarbonylContact O-C 3.38Å; D115-K136 WeakPolarHBondContact O-CA 3.29Å; D115-R137 HydrophobicContact CB-CB 3.91Å; D115-R137 PolarHBondContact O-N 2.82Å; D115-P140 WeakPolarHBondContact OD2-CA 3.34Å; D115-V141 HydrophobicContact CB-CB 3.92Å; D115-V141 HydrophobicContact CB-CG2 4.06Å; D115-V141 PolarHBondContact OD2-N 2.8Å
116	Q	97.6	Very high	93.9	Very high	44 Å²	44	38 Å²	38	21%	0.206	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.9	-177	-73.9	164.6	72.8	0	0	110.7	K102 Y113 G135 K136	K102-Q116 HydrophobicContact CB-CB 3.81Å; K102-Q116 HydrophobicContact CD-CB 3.86Å; K102-Q116 HydrophobicContact CG-CB 4.49Å; K102-Q116 PolarHBondContact N-O 3.22Å; Y113-Q116 PolarHBondContact O-N 3.43Å; Q116-G135 CarbonylContact C-O 3.48Å; Q116-G135 WeakPolarHBondContact CA-O 3.24Å; Q116-K136 HydrophobicContact CG-CG 4.22Å
117	T	97.4	Very high	94.3	Very high	7 Å²	7	32 Å²	32	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	157	173.3	76.8	0	0	0	0	111.7	W35 F88 A99 F100 G135	W35-T117 HydrophobicContact CZ3-CG2 3.91Å; F88-T117 HydrophobicContact CE1-CG2 3.57Å; F88-T117 HydrophobicContact CZ-CG2 3.65Å; A99-T117 HydrophobicContact CB-CG2 3.97Å; F100-T117 CarbonylContact O-C 3.52Å; F100-T117 VanDerWaalsContact O-CA 3.31Å; F100-T117 WeakPolarHBondContact O-CA 3.44Å; F100-T117 WeakPolarHBondContact O-CB 3.49Å; T117-G135 PolarHBondContact N-O 3.14Å; T117-G135 PolarHBondContact OG1-N 2.87Å
118	L	95.6	Very high	94.9	Very high	50 Å²	50	37.4 Å²	37.4	26%	0.262	19%	0.187	S	C	.	.			trans	-66.2	167	154	-65.3	-179.4	0	0	0	109.5	F100 K102 Y103 G120	F100-L118 HydrophobicContact CB-CD1 4.21Å; F100-L118 PolarHBondContact O-N 3.38Å; K102-L118 HydrophobicContact CB-CD2 4.44Å; K102-L118 HydrophobicContact CG-CD2 4.24Å; Y103-L118 HydrophobicContact CD1-CD1 4.24Å; Y103-L118 HydrophobicContact CE1-CD1 3.72Å; L118-G120 PolarHBondContact O-N 2.78Å
119	P	95.6	Very high	95.8	Very high	38 Å²	38	39 Å²	39	25%	0.247	19%	0.193	C	C	.	.	S	Bend	trans	-50.7	127.4	165.6	-26.6	36.3	0	0	0	110.5	C50 F133 V134	C50-P119 WeakPolarHBondContact O-CB 3.34Å; P119-F133 WeakPolarHBondContact CA-O 3.32Å; P119-V134 HydrophobicContact CB-CG1 4.45Å; P119-V134 HydrophobicContact CG-CG1 4.25Å
120	G	96.3	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-177.8	179.1	0	0	0	0	0	111.7	F98 L118 C132 F133	F98-G120 CarbonylContact O-C 3.5Å; F98-G120 WeakPolarHBondContact O-CA 3.37Å; L118-G120 PolarHBondContact O-N 2.78Å; G120-C132 CarbonylContact O-C 3.59Å; G120-C132 VanDerWaalsContact O-CA 3.29Å; G120-C132 WeakPolarHBondContact O-CA 3.24Å; G120-F133 PolarHBondContact N-O 3.01Å; G120-F133 PolarHBondContact O-N 2.51Å
121	W	97.4	Very high	96.6	Very high	19 Å²	19	35.3 Å²	35.3	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.4	-177.3	-59.2	-99.5	0	0	0	110.4	F98 W130 F133 E286 Y287	F98-W121 AromaticContact CD1-CE3 3.76Å; F98-W121 HydrophobicContact CD1-CE3 3.76Å; F98-W121 HydrophobicContact CD1-CZ3 4.09Å; F98-W121 AromaticContact CE1-CE3 3.96Å; F98-W121 HydrophobicContact CE1-CE3 3.96Å; F98-W121 AromaticContact CE1-CZ3 3.79Å; F98-W121 HydrophobicContact CE1-CZ3 3.79Å; F98-W121 PolarHBondContact N-O 3.29Å; F98-W121 PolarHBondContact O-N 3.24Å; W121-W130 HydrophobicContact CB-CE3 4.35Å; W121-W130 HydrophobicContact CB-CZ3 4.04Å; W121-W130 HydrophobicContact CG-CZ3 4.29Å; W121-F133 WeakPolarHBondContact O-CE1 3.41Å; W121-E286 HydrophobicContact CH2-CB 3.99Å; W121-E286 HydrophobicContact CZ2-CB 3.82Å; W121-E286 WeakPolarHBondContact CZ2-OE2 3.09Å; W121-Y287 AromaticContact CD2-CE1 3.7Å; W121-Y287 HydrophobicContact CD2-CE1 3.7Å; W121-Y287 HydrophobicContact CE3-CD1 4.18Å; W121-Y287 AromaticContact CE3-CE1 3.61Å; W121-Y287 HydrophobicContact CE3-CE1 3.61Å; W121-Y287 HydrophobicContact CG-CE1 4.28Å; W121-Y287 HydrophobicContact CH2-CD1 4.19Å; W121-Y287 HydrophobicContact CH2-CE1 4.16Å; W121-Y287 HydrophobicContact CZ2-CE1 4.24Å; W121-Y287 AromaticContact CZ3-CD1 3.97Å; W121-Y287 HydrophobicContact CZ3-CD1 3.97Å; W121-Y287 AromaticContact CZ3-CE1 3.85Å; W121-Y287 HydrophobicContact CZ3-CE1 3.85Å
122	V	97.8	Very high	96.7	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.7	166.5	58.2	0	0	0	0	109.4	V39 Y95 K96 W97 W130 A131 F133	V39-V122 HydrophobicContact CG1-CG1 3.92Å; Y95-V122 HydrophobicContact CD1-CG2 3.89Å; Y95-V122 HydrophobicContact CG-CG2 4.45Å; K96-V122 VanDerWaalsContact O-CA 3.27Å; K96-V122 WeakPolarHBondContact O-CA 3.2Å; W97-V122 HydrophobicContact CD2-CB 3.98Å; W97-V122 HydrophobicContact CD2-CG2 3.5Å; W97-V122 HydrophobicContact CE3-CB 3.59Å; W97-V122 HydrophobicContact CE3-CG1 4.23Å; W97-V122 HydrophobicContact CE3-CG2 3.55Å; W97-V122 HydrophobicContact CG-CG2 4.14Å; W97-V122 HydrophobicContact CH2-CB 4.4Å; W97-V122 HydrophobicContact CH2-CG1 4.5Å; W97-V122 HydrophobicContact CH2-CG2 3.79Å; W97-V122 HydrophobicContact CZ2-CG2 3.76Å; W97-V122 HydrophobicContact CZ3-CB 3.82Å; W97-V122 HydrophobicContact CZ3-CG1 3.98Å; W97-V122 HydrophobicContact CZ3-CG2 3.69Å; V122-W130 CarbonylContact O-C 3.59Å; V122-W130 WeakPolarHBondContact O-CA 3.44Å; V122-A131 HydrophobicContact CG1-CB 3.78Å; V122-A131 WeakPolarHBondContact CG1-O 3.41Å; V122-A131 PolarHBondContact N-O 2.86Å; V122-A131 PolarHBondContact O-N 3.27Å; V122-F133 HydrophobicContact CB-CD1 4.19Å; V122-F133 HydrophobicContact CG1-CD1 4.41Å
123	H	98.3	Very high	96.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.4	172.3	60.3	88.3	0	0	0	111.3	Y95 K96 N129 W130 K301 D305	Y95-H123 CarbonylContact C-O 3.5Å; Y95-H123 WeakPolarHBondContact CA-O 3.38Å; Y95-H123 VanDerWaalsContact CD1-C 3.45Å; K96-H123 PolarHBondContact N-O 3.28Å; K96-H123 PolarHBondContact O-N 2.96Å; K96-H123 VanDerWaalsContact O-N 3.09Å; H123-N129 WeakPolarHBondContact CA-O 3.35Å; H123-N129 WeakPolarHBondContact CB-O 3.06Å; H123-W130 HydrophobicContact CB-CB 4.47Å; H123-W130 HydrophobicContact CB-CD2 3.57Å; H123-W130 HydrophobicContact CB-CE3 3.98Å; H123-W130 HydrophobicContact CB-CG 3.8Å; H123-W130 HydrophobicContact CB-CZ2 4.2Å; H123-W130 HydrophobicContact CB-CZ3 4.44Å; H123-W130 AromaticContact CD2-CE3 3.77Å; H123-W130 AromaticContact CD2-CH2 3.31Å; H123-W130 WeakPolarHBondContact CD2-CH2 3.36Å; H123-W130 AromaticContact CD2-CZ2 3.67Å; H123-W130 AromaticContact CD2-CZ3 3.38Å; H123-W130 WeakPolarHBondContact CD2-CZ3 3.16Å; H123-W130 AromaticContact CG-CD2 3.97Å; H123-W130 AromaticContact CG-CE2 3.77Å; H123-W130 AromaticContact CG-CH2 3.89Å; H123-W130 AromaticContact CG-CZ2 3.74Å; H123-W130 AromaticContact NE2-CH2 3.66Å; H123-K301 PolarHBondContact NE2-NZ 3.07Å; H123-D305 IonicContact CE1-OD1 3.23Å; H123-D305 PolarHBondContact CE1-OD1 2.91Å; H123-D305 VanDerWaalsContact CE1-OD1 3.23Å; H123-D305 IonicContact CE1-OD2 3.99Å; H123-D305 IonicContact NE2-OD1 2.97Å; H123-D305 PolarHBondContact NE2-OD1 2.89Å; H123-D305 IonicContact NE2-OD2 2.89Å; H123-D305 PolarHBondContact NE2-OD2 3Å
124	D	97.8	Very high	96.8	Very high	18 Å²	18	33.2 Å²	33.2	10%	0.096	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	158.8	172.4	65	75.1	0	0	0	111.3	D94 Y95 L126 G127 R128 N129	D94-D124 CarbonylContact O-C 3.58Å; D94-D124 VanDerWaalsContact O-CA 3.25Å; D94-D124 WeakPolarHBondContact O-CA 3.46Å; Y95-D124 HydrophobicContact CD1-CB 4.32Å; Y95-D124 HydrophobicContact CE1-CB 4.09Å; D124-L126 PolarHBondContact O-N 3.25Å; D124-L126 WeakPolarHBondContact OD1-CA 2.99Å; D124-L126 WeakPolarHBondContact OD1-CB 3.11Å; D124-L126 PolarHBondContact OD1-N 3.34Å; D124-G127 PolarHBondContact O-N 3.42Å; D124-G127 PolarHBondContact OD1-N 2.95Å; D124-R128 PolarHBondContact OD1-N 3.35Å; D124-R128 WeakPolarHBondContact OD2-CB 3.45Å; D124-R128 PolarHBondContact OD2-N 3.01Å; D124-N129 PolarHBondContact N-O 3.34Å; D124-N129 WeakPolarHBondContact OD2-CB 3.04Å; D124-N129 PolarHBondContact OD2-N 3.19Å; D124-N129 PolarHBondContact OD2-ND2 3.26Å
125	V	97.3	Very high	96.8	Very high	55 Å²	55	33.4 Å²	33.4	33%	0.333	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.6	-176.6	-70	0	0	0	0	114.6	V91 D94 K96	V91-V125 HydrophobicContact CG1-CG1 4.34Å; D94-V125 HydrophobicContact CB-CG2 4.23Å; D94-V125 WeakPolarHBondContact O-CG1 3.43Å; D94-V125 PolarHBondContact O-N 2.87Å; K96-V125 HydrophobicContact CG-CG1 4.1Å
126	L	96.5	Very high	96.8	Very high	128 Å²	128	38.8 Å²	38.8	67%	0.67	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-2	174.6	-56.2	179.2	0	0	0	113.1	D124 R128	D124-L126 PolarHBondContact O-N 3.25Å; D124-L126 WeakPolarHBondContact OD1-CA 2.99Å; D124-L126 WeakPolarHBondContact OD1-CB 3.11Å; D124-L126 PolarHBondContact OD1-N 3.34Å; L126-R128 HydrophobicContact CB-CG 4.11Å
127	G	96.1	Very high	96.8	Very high	18 Å²	18	38.7 Å²	38.7	19%	0.186	19%	0.194	C	C	.	.	S	Bend	trans	71.8	27.7	178.9	0	0	0	0	0	114.1	D124 W130	D124-G127 PolarHBondContact O-N 3.42Å; D124-G127 PolarHBondContact OD1-N 2.95Å; G127-W130 PolarHBondContact O-NE1 2.81Å
128	R	95.6	Very high	96.8	Very high	180 Å²	180	42.6 Å²	42.6	68%	0.679	22%	0.217	S	C	*	.			trans	-92.6	-46.7	-174.3	-63	-176.4	178.2	-160.4	0.1	114	D124 L126	D124-R128 PolarHBondContact OD1-N 3.35Å; D124-R128 WeakPolarHBondContact OD2-CB 3.45Å; D124-R128 PolarHBondContact OD2-N 3.01Å; L126-R128 HydrophobicContact CB-CG 4.11Å
129	N	96.9	Very high	96.9	Very high	79 Å²	79	47.7 Å²	47.7	42%	0.422	24%	0.237	S	C	.	.	S	Bend	trans	-112.1	112.3	-175.4	-57.4	-81.5	0	0	0	109.3	H123 D124	H123-N129 WeakPolarHBondContact CA-O 3.35Å; H123-N129 WeakPolarHBondContact CB-O 3.06Å; D124-N129 PolarHBondContact N-O 3.34Å; D124-N129 WeakPolarHBondContact OD2-CB 3.04Å; D124-N129 PolarHBondContact OD2-N 3.19Å; D124-N129 PolarHBondContact OD2-ND2 3.26Å
130	W	97.2	Very high	96.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	150.7	-177.3	-67.9	70.4	0	0	0	111.6	G43 H44 D45 Q46 V48 W121 V122 H123 G127 D305 F306	G43-W130 PolarHBondContact N-O 3.12Å; H44-W130 HydrophobicContact CB-CB 4.2Å; H44-W130 WeakPolarHBondContact CB-O 3.26Å; H44-W130 PolarHBondContact N-O 3.48Å; H44-W130 VanDerWaalsContact N-O 3.17Å; H44-W130 PolarHBondContact O-N 2.73Å; D45-W130 WeakPolarHBondContact O-CB 3.47Å; Q46-W130 HydrophobicContact CB-CD2 4.37Å; Q46-W130 HydrophobicContact CB-CZ2 3.81Å; V48-W130 HydrophobicContact CG1-CB 3.9Å; V48-W130 HydrophobicContact CG1-CE3 4.22Å; W121-W130 HydrophobicContact CB-CE3 4.35Å; W121-W130 HydrophobicContact CB-CZ3 4.04Å; W121-W130 HydrophobicContact CG-CZ3 4.29Å; V122-W130 CarbonylContact O-C 3.59Å; V122-W130 WeakPolarHBondContact O-CA 3.44Å; H123-W130 HydrophobicContact CB-CB 4.47Å; H123-W130 HydrophobicContact CB-CD2 3.57Å; H123-W130 HydrophobicContact CB-CE3 3.98Å; H123-W130 HydrophobicContact CB-CG 3.8Å; H123-W130 HydrophobicContact CB-CZ2 4.2Å; H123-W130 HydrophobicContact CB-CZ3 4.44Å; H123-W130 AromaticContact CD2-CE3 3.77Å; H123-W130 AromaticContact CD2-CH2 3.31Å; H123-W130 WeakPolarHBondContact CD2-CH2 3.36Å; H123-W130 AromaticContact CD2-CZ2 3.67Å; H123-W130 AromaticContact CD2-CZ3 3.38Å; H123-W130 WeakPolarHBondContact CD2-CZ3 3.16Å; H123-W130 AromaticContact CG-CD2 3.97Å; H123-W130 AromaticContact CG-CE2 3.77Å; H123-W130 AromaticContact CG-CH2 3.89Å; H123-W130 AromaticContact CG-CZ2 3.74Å; H123-W130 AromaticContact NE2-CH2 3.66Å; G127-W130 PolarHBondContact O-NE1 2.81Å; W130-D305 HydrophobicContact CH2-CB 3.78Å; W130-D305 HydrophobicContact CZ2-CB 4.06Å; W130-F306 HydrophobicContact CH2-CE2 4.48Å; W130-F306 HydrophobicContact CH2-CZ 4.19Å; W130-F306 HydrophobicContact CZ3-CZ 4.48Å
131	A	96.3	Very high	96.8	Very high	6 Å²	6	51.5 Å²	51.5	5%	0.05	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.1	165.2	0	0	0	0	0	109.8	V39 V122	V39-A131 HydrophobicContact CG1-CB 3.72Å; V122-A131 HydrophobicContact CG1-CB 3.78Å; V122-A131 WeakPolarHBondContact CG1-O 3.41Å; V122-A131 PolarHBondContact N-O 2.86Å; V122-A131 PolarHBondContact O-N 3.27Å
132	C	96.5	Very high	96.7	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	151.8	170.6	-51.7	0	0	0	0	109.5	V39 S40 C50 A54 G120	V39-C132 WeakPolarHBondContact CA-O 3.48Å; S40-C132 PolarHBondContact N-O 3.42Å; S40-C132 PolarHBondContact OG-N 2.84Å; S40-C132 PolarHBondContact OG-O 2.58Å; C50-C132 WeakPolarHBondContact CA-SG 3.07Å; C50-C132 HydrophobicContact CB-CB 3.73Å; C50-C132 WeakPolarHBondContact CB-SG 3.49Å; C50-C132 VanDerWaalsContact SG-CA 3.52Å; C50-C132 WeakPolarHBondContact SG-CB 3.3Å; C50-C132 CovalentContact SG-SG 2.04Å; C50-C132 PolarHBondContact SG-SG 2.96Å; A54-C132 HydrophobicContact CB-CB 4.45Å; G120-C132 CarbonylContact O-C 3.59Å; G120-C132 VanDerWaalsContact O-CA 3.29Å; G120-C132 WeakPolarHBondContact O-CA 3.24Å
133	F	96.6	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.5	172.7	82.1	-74.3	0	0	0	112.8	F37 Q38 V39 W97 F98 A99 P119 G120 W121 V122	F37-F133 HydrophobicContact CB-CD2 3.82Å; F37-F133 HydrophobicContact CB-CE2 4.45Å; F37-F133 AromaticContact CD1-CD2 3.89Å; F37-F133 HydrophobicContact CD1-CD2 3.89Å; F37-F133 AromaticContact CD1-CE2 3.72Å; F37-F133 HydrophobicContact CD1-CE2 3.72Å; F37-F133 HydrophobicContact CD2-CD2 4.38Å; F37-F133 HydrophobicContact CD2-CE2 4.27Å; F37-F133 AromaticContact CE1-CE2 3.96Å; F37-F133 HydrophobicContact CE1-CE2 3.96Å; F37-F133 HydrophobicContact CE2-CE2 4.47Å; F37-F133 AromaticContact CG-CD2 3.78Å; F37-F133 HydrophobicContact CG-CD2 3.78Å; F37-F133 AromaticContact CG-CE2 3.9Å; F37-F133 HydrophobicContact CG-CE2 3.9Å; F37-F133 HydrophobicContact CZ-CE2 4.33Å; Q38-F133 CarbonylContact O-C 3.54Å; Q38-F133 WeakPolarHBondContact O-CA 3.35Å; Q38-F133 WeakPolarHBondContact O-CB 3.44Å; V39-F133 HydrophobicContact CG2-CB 4.32Å; W97-F133 HydrophobicContact CB-CE1 4.28Å; W97-F133 HydrophobicContact CB-CZ 4.08Å; W97-F133 HydrophobicContact CE3-CD1 4.09Å; W97-F133 HydrophobicContact CE3-CD2 4.05Å; W97-F133 HydrophobicContact CE3-CE1 4.27Å; W97-F133 HydrophobicContact CE3-CE2 4.22Å; W97-F133 AromaticContact CE3-CG 3.98Å; W97-F133 HydrophobicContact CE3-CG 3.98Å; W97-F133 HydrophobicContact CE3-CZ 4.33Å; W97-F133 HydrophobicContact CZ3-CB 4.33Å; W97-F133 HydrophobicContact CZ3-CD2 4.41Å; W97-F133 HydrophobicContact CZ3-CG 4.21Å; F98-F133 WeakPolarHBondContact O-CE1 3.36Å; A99-F133 HydrophobicContact CB-CE1 4.19Å; A99-F133 HydrophobicContact CB-CE2 4.37Å; A99-F133 HydrophobicContact CB-CZ 3.71Å; P119-F133 WeakPolarHBondContact CA-O 3.32Å; G120-F133 PolarHBondContact N-O 3.01Å; G120-F133 PolarHBondContact O-N 2.51Å; W121-F133 WeakPolarHBondContact O-CE1 3.41Å; V122-F133 HydrophobicContact CB-CD1 4.19Å; V122-F133 HydrophobicContact CG1-CD1 4.41Å
134	V	96.6	Very high	96.1	Very high	28 Å²	28	61.9 Å²	61.9	17%	0.17	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.5	164.5	-66.9	0	0	0	0	109.2	F37 Q38 P119	F37-V134 WeakPolarHBondContact CA-O 3.01Å; Q38-V134 HydrophobicContact CB-CG2 3.92Å; Q38-V134 PolarHBondContact N-O 2.79Å; Q38-V134 PolarHBondContact O-N 2.83Å; P119-V134 HydrophobicContact CB-CG1 4.45Å; P119-V134 HydrophobicContact CG-CG1 4.25Å
135	G	96.6	Very high	95.7	Very high	5 Å²	5	65.7 Å²	65.7	5%	0.052	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.5	-179.1	0	0	0	0	0	112.2	V36 Q116 T117	V36-G135 WeakPolarHBondContact O-CA 3.41Å; Q116-G135 CarbonylContact C-O 3.48Å; Q116-G135 WeakPolarHBondContact CA-O 3.24Å; T117-G135 PolarHBondContact N-O 3.14Å; T117-G135 PolarHBondContact OG1-N 2.87Å
136	K	97.3	Very high	95	Very high	124 Å²	124	65.3 Å²	65.3	54%	0.539	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.2	168.9	-171.5	173.5	-177.6	177.2	0	110.8	V36 D115 Q116	V36-K136 PolarHBondContact N-O 2.96Å; V36-K136 PolarHBondContact O-N 2.85Å; D115-K136 CarbonylContact O-C 3.38Å; D115-K136 WeakPolarHBondContact O-CA 3.29Å; Q116-K136 HydrophobicContact CG-CG 4.22Å
137	R	97.8	Very high	94	Very high	42 Å²	42	63.4 Å²	63.4	16%	0.158	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.8	174.4	-165.6	-179.5	154.3	171.4	0.2	109.8	E29 D30 L32 T34 W35 D115 K139	E29-R137 PolarHBondContact O-NH1 3.35Å; D30-R137 VanDerWaalsContact C-NH1 3.29Å; D30-R137 PolarHBondContact O-NH1 2.82Å; L32-R137 PolarHBondContact O-NE 3.35Å; L32-R137 PolarHBondContact O-NH1 3.45Å; L32-R137 PolarHBondContact O-NH2 3.16Å; T34-R137 WeakPolarHBondContact O-CA 3.4Å; W35-R137 HydrophobicContact CD2-CB 4Å; W35-R137 HydrophobicContact CD2-CG 4.47Å; W35-R137 HydrophobicContact CE3-CB 4.2Å; W35-R137 HydrophobicContact CH2-CB 4.22Å; W35-R137 HydrophobicContact CZ2-CB 4.01Å; W35-R137 HydrophobicContact CZ2-CG 4.41Å; W35-R137 HydrophobicContact CZ3-CB 4.3Å; D115-R137 HydrophobicContact CB-CB 3.91Å; D115-R137 PolarHBondContact O-N 2.82Å; R137-K139 VanDerWaalsContact CD-O 3.3Å; R137-K139 WeakPolarHBondContact CD-O 3.48Å; R137-K139 WeakPolarHBondContact CG-O 3.32Å; R137-K139 PolarHBondContact NE-O 3.08Å
138	V	97.4	Very high	92.4	Very high	88 Å²	88	65.4 Å²	65.4	53%	0.533	34%	0.339	S	S	.	.	S	Bend	trans	-65.4	-43.8	-179.2	174.6	0	0	0	0	111.1	T34 V36 P140	T34-V138 HydrophobicContact CG2-CG2 3.84Å; T34-V138 PolarHBondContact O-N 3.07Å; V36-V138 HydrophobicContact CG2-CG2 3.83Å; V138-P140 WeakPolarHBondContact O-CD 3.13Å
139	K	96.8	Very high	90.4	Very high	157 Å²	157	60 Å²	60	68%	0.683	33%	0.328	S	S	*	.	S	Bend	trans	-89.8	114.5	172.6	-70.1	-175.4	-179.8	178	0	108.4	R137	R137-K139 VanDerWaalsContact CD-O 3.3Å; R137-K139 WeakPolarHBondContact CD-O 3.48Å; R137-K139 WeakPolarHBondContact CG-O 3.32Å; R137-K139 PolarHBondContact NE-O 3.08Å
140	P	95.6	Very high	88.1	Confident	104 Å²	104	60.2 Å²	60.2	68%	0.675	33%	0.332	S	S	*	.			trans	-61.6	150.3	-178.2	-22.6	33.6	0	0	0	112.4	D115 V138	D115-P140 WeakPolarHBondContact OD2-CA 3.34Å; V138-P140 WeakPolarHBondContact O-CD 3.13Å
141	V	95	Very high	85.9	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.085	34%	0.337	C	S	.	.			trans	-116.7	129.7	172.3	-179.6	0	0	0	0	107.5	D30 D115	D30-V141 HydrophobicContact CB-CG1 4.3Å; D30-V141 WeakPolarHBondContact OD1-CG1 3.36Å; D115-V141 HydrophobicContact CB-CB 3.92Å; D115-V141 HydrophobicContact CB-CG2 4.06Å; D115-V141 PolarHBondContact OD2-N 2.8Å
142	P	94.8	Very high	83.5	Confident	105 Å²	105	65.2 Å²	65.2	68%	0.682	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-54.9	134.4	176.3	-25.7	34.7	0	0	0	111.4	R144	P142-R144 PolarHBondContact O-N 2.88Å
143	P	93.8	Very high	81.5	Confident	68 Å²	68	67 Å²	67	44%	0.442	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-58.5	139.1	176.7	-24.3	33.3	0	0	0	111.7	T111 S112 Y113	T111-P143 HydrophobicContact CG2-CB 3.68Å; S112-P143 CarbonylContact O-C 3.56Å; S112-P143 VanDerWaalsContact O-CA 3.28Å; S112-P143 WeakPolarHBondContact O-CA 3.45Å; Y113-P143 HydrophobicContact CD1-CB 4.14Å; Y113-P143 HydrophobicContact CD1-CG 3.84Å; Y113-P143 HydrophobicContact CE1-CB 4.24Å; Y113-P143 HydrophobicContact CE1-CG 3.94Å
144	R	90.8	Very high	79.9	Confident	72 Å²	72	70.1 Å²	70.1	27%	0.272	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.1	174.1	-65.5	179	-176.2	-118.8	-1.9	109	N25 T27 D30 T111 S112 P142	N25-R144 WeakPolarHBondContact O-CD 3.25Å; T27-R144 PolarHBondContact OG1-NH2 3.16Å; D30-R144 VanDerWaalsContact CG-NH2 3.35Å; D30-R144 IonicContact OD1-CZ 3.42Å; D30-R144 IonicContact OD1-NE 2.75Å; D30-R144 IonicContact OD1-NH2 3.47Å; D30-R144 PolarHBondContact OD1-NH2 3.28Å; D30-R144 IonicContact OD2-CZ 2.72Å; D30-R144 IonicContact OD2-NE 3.31Å; D30-R144 PolarHBondContact OD2-NE 3.43Å; D30-R144 IonicContact OD2-NH2 3.86Å; D30-R144 PolarHBondContact OD2-NH2 3.46Å; T111-R144 CarbonylContact C-O 3.57Å; T111-R144 WeakPolarHBondContact CA-O 3.31Å; S112-R144 PolarHBondContact N-O 3.32Å; S112-R144 PolarHBondContact O-N 3.48Å; P142-R144 PolarHBondContact O-N 2.88Å
145	I	89.1	Confident	78.7	Confident	97 Å²	97	72.2 Å²	72.2	50%	0.497	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	113.8	178.8	-60.6	174.7	0	0	0	107.7	K109 V110 T111	K109-I145 HydrophobicContact CD-CG2 4.31Å; K109-I145 VanDerWaalsContact CE-CG2 3.46Å; K109-I145 HydrophobicContact CG-CG2 3.94Å; V110-I145 WeakPolarHBondContact O-CA 3.46Å; T111-I145 HydrophobicContact CG2-CG1 4.24Å
146	D	82.5	Confident	77.8	Confident	47 Å²	47	72.2 Å²	72.2	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	172.9	-72.8	-60.5	0	0	0	108.2	N25 V110 K148	N25-D146 WeakPolarHBondContact CB-OD2 3.48Å; N25-D146 PolarHBondContact ND2-OD2 3.42Å; N25-D146 VanDerWaalsContact ND2-OD2 3.11Å; V110-D146 PolarHBondContact N-O 3.43Å; V110-D146 PolarHBondContact O-N 2.8Å; D146-K148 PolarHBondContact O-N 3.04Å
147	S	73.9	Confident	77.3	Confident	89 Å²	89	70.2 Å²	70.2	62%	0.622	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	103	163.5	-65.3	0	0	0	0	106.2
148	K	62.8	Low	76.9	Confident	60 Å²	60	73.5 Å²	73.5	26%	0.261	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-59.6	128.2	164	-70.3	-171.3	177.5	-176.5	0	105	S108 V110 D146 V150	S108-K148 WeakPolarHBondContact CB-O 3.44Å; S108-K148 PolarHBondContact O-N 2.89Å; V110-K148 HydrophobicContact CG2-CD 4.38Å; V110-K148 HydrophobicContact CG2-CG 4.37Å; D146-K148 PolarHBondContact O-N 3.04Å; K148-V150 PolarHBondContact O-N 3.08Å
149	P	54.7	Low	76.6	Confident	66 Å²	66	73.2 Å²	73.2	43%	0.429	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-51	122.8	160.9	23.9	-30	0	0	0	104.3	F151	P149-F151 PolarHBondContact O-N 3.01Å; P149-F151 VanDerWaalsContact O-N 3.1Å
150	V	47.5	Very low	76.4	Confident	84 Å²	84	66.3 Å²	66.3	51%	0.509	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-52.1	132.9	175	-170.1	0	0	0	0	103.6	K148 S152	K148-V150 PolarHBondContact O-N 3.08Å; V150-S152 WeakPolarHBondContact CB-OG 3.34Å; V150-S152 VanDerWaalsContact CG1-CB 3.47Å; V150-S152 PolarHBondContact O-N 3.24Å
151	F	52.2	Low	76.3	Confident	28 Å²	28	66.7 Å²	66.7	12%	0.123	39%	0.392	C	S	.	.	S	Bend	trans	-61.3	55.1	162.8	-88	-73.5	0	0	0	110	L19 P149 L156 R191 P200	L19-F151 HydrophobicContact CD2-CD2 3.99Å; L19-F151 HydrophobicContact CD2-CE2 4.32Å; P149-F151 PolarHBondContact O-N 3.01Å; P149-F151 VanDerWaalsContact O-N 3.1Å; F151-L156 VanDerWaalsContact CA-CD1 3.49Å; F151-L156 HydrophobicContact CB-CD1 3.7Å; F151-L156 HydrophobicContact CD1-CD1 3.5Å; F151-L156 HydrophobicContact CD1-CD2 3.97Å; F151-L156 HydrophobicContact CD1-CG 4.36Å; F151-L156 HydrophobicContact CE1-CD2 4.27Å; F151-L156 HydrophobicContact CG-CD1 4.1Å; F151-L156 WeakPolarHBondContact O-CD1 3.19Å; F151-R191 PolarHBondContact O-NH2 2.96Å; F151-P200 HydrophobicContact CD2-CG 4.37Å; F151-P200 HydrophobicContact CE1-CG 4Å; F151-P200 HydrophobicContact CE2-CG 3.19Å; F151-P200 HydrophobicContact CZ-CB 4.4Å; F151-P200 HydrophobicContact CZ-CG 3Å
152	S	45.7	Very low	76.2	Confident	84 Å²	84	67 Å²	67	59%	0.587	39%	0.392	S	S	*	.			trans	-124.3	28.9	-173.2	76.6	0	0	0	0	111.2	V150 G154	V150-S152 WeakPolarHBondContact CB-OG 3.34Å; V150-S152 VanDerWaalsContact CG1-CB 3.47Å; V150-S152 PolarHBondContact O-N 3.24Å; S152-G154 PolarHBondContact O-N 3.37Å
153	S	54.4	Low	76.2	Confident	45 Å²	45	62.4 Å²	62.4	32%	0.315	36%	0.362	S	S	.	.			trans	-70.4	126.7	150.6	75.8	0	0	0	0	105.5	L155 L156	S153-L155 PolarHBondContact O-N 2.77Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-L156 VanDerWaalsContact O-N 3.15Å; S153-L156 WeakPolarHBondContact OG-CG 3.44Å
154	G	62.7	Low	76.4	Confident	65 Å²	65	66.5 Å²	66.5	67%	0.67	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	5.3	170.2	0	0	0	0	0	113.6	S152 K158	S152-G154 PolarHBondContact O-N 3.37Å; G154-K158 WeakPolarHBondContact O-CE 3.38Å
155	L	70.9	Confident	76.7	Confident	72 Å²	72	69.2 Å²	69.2	38%	0.377	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-30.9	177	-61.3	168.2	0	0	0	112.3	S153 K158 L190 P391	S153-L155 PolarHBondContact O-N 2.77Å; L155-K158 HydrophobicContact CD2-CD 3.96Å; L155-K158 WeakPolarHBondContact O-CA 3.3Å; L155-K158 WeakPolarHBondContact O-CB 3.37Å; L155-K158 WeakPolarHBondContact O-CG 3.42Å; L155-K158 PolarHBondContact O-N 2.82Å; L155-L190 HydrophobicContact CB-CD1 4.38Å; L155-L190 WeakPolarHBondContact O-CD1 3.22Å; L155-P391 HydrophobicContact CB-CG 4.31Å; L155-P391 HydrophobicContact CD1-CG 4.07Å
156	L	78.6	Confident	77	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37.6	-173.5	-70.7	155.2	0	0	0	115.3	F151 S153 K158 L190 R191	F151-L156 VanDerWaalsContact CA-CD1 3.49Å; F151-L156 HydrophobicContact CB-CD1 3.7Å; F151-L156 HydrophobicContact CD1-CD1 3.5Å; F151-L156 HydrophobicContact CD1-CD2 3.97Å; F151-L156 HydrophobicContact CD1-CG 4.36Å; F151-L156 HydrophobicContact CE1-CD2 4.27Å; F151-L156 HydrophobicContact CG-CD1 4.1Å; F151-L156 WeakPolarHBondContact O-CD1 3.19Å; S153-L156 PolarHBondContact O-N 3.42Å; S153-L156 VanDerWaalsContact O-N 3.15Å; S153-L156 WeakPolarHBondContact OG-CG 3.44Å; L156-K158 PolarHBondContact O-N 2.76Å; L156-L190 HydrophobicContact CD2-CB 4.48Å; L156-L190 PolarHBondContact O-N 2.94Å; L156-R191 HydrophobicContact CB-CB 4.33Å; L156-R191 WeakPolarHBondContact O-CB 3.48Å; L156-R191 PolarHBondContact O-N 2.93Å
157	P	86.2	Confident	77.7	Confident	82 Å²	82	62.9 Å²	62.9	53%	0.532	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.7	173.4	-15.1	31.8	0	0	0	113.3	T189	P157-T189 VanDerWaalsContact O-CG2 3.28Å; P157-T189 WeakPolarHBondContact O-CG2 3.33Å
158	K	88.6	Confident	78.9	Confident	111 Å²	111	63.1 Å²	63.1	48%	0.483	35%	0.35	S	S	.	.	S	Bend	trans	-75.8	147.7	179.9	-59.6	-172.9	-177.5	-178.2	0	110.1	G154 L155 L156 T189 L190	G154-K158 WeakPolarHBondContact O-CE 3.38Å; L155-K158 HydrophobicContact CD2-CD 3.96Å; L155-K158 WeakPolarHBondContact O-CA 3.3Å; L155-K158 WeakPolarHBondContact O-CB 3.37Å; L155-K158 WeakPolarHBondContact O-CG 3.42Å; L155-K158 PolarHBondContact O-N 2.82Å; L156-K158 PolarHBondContact O-N 2.76Å; K158-T189 VanDerWaalsContact O-CA 3.29Å; K158-T189 WeakPolarHBondContact O-CA 3.13Å; K158-L190 PolarHBondContact O-N 2.74Å
159	P	91.6	Very high	80.5	Confident	82 Å²	82	64 Å²	64	53%	0.532	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-54.8	139.6	169.9	-24.1	34.2	0	0	0	110.9
160	Y	92.1	Very high	82.6	Confident	11 Å²	11	60.8 Å²	60.8	4%	0.043	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.2	143.6	169.6	174.7	-100.2	0	0	0	110.3	H162 H185 Y188 L190 L193 N390	Y160-H162 AromaticContact CE1-CE1 3.63Å; Y160-H162 AromaticContact CE1-ND1 3.44Å; Y160-H162 WeakPolarHBondContact CE1-ND1 3.15Å; Y160-H185 HydrophobicContact CD1-CB 3.78Å; Y160-H185 HydrophobicContact CE1-CB 3.88Å; Y160-Y188 PolarHBondContact N-O 2.79Å; Y160-L190 HydrophobicContact CD2-CD2 3.8Å; Y160-L193 VanDerWaalsContact CB-CD1 3.49Å; Y160-L193 HydrophobicContact CD1-CD1 3.76Å; Y160-L193 HydrophobicContact CD2-CD1 3.57Å; Y160-L193 HydrophobicContact CE1-CD1 4.36Å; Y160-L193 HydrophobicContact CE2-CD1 4.21Å; Y160-L193 HydrophobicContact CG-CD1 3.31Å; Y160-N390 HydrophobicContact CD2-CB 4.46Å; Y160-N390 WeakPolarHBondContact CD2-OD1 3.4Å; Y160-N390 HydrophobicContact CE2-CB 4.08Å; Y160-N390 VanDerWaalsContact CE2-CG 3.42Å; Y160-N390 VanDerWaalsContact CE2-ND2 3.3Å; Y160-N390 WeakPolarHBondContact CE2-ND2 3.37Å
161	K	93.4	Very high	85	Confident	112 Å²	112	59.5 Å²	59.5	49%	0.487	33%	0.327	S	S	.	.			trans	-131.3	132.9	174.8	-73.3	-71.3	164.1	-167.8	0	109.7	N163 E186 N390	K161-N163 PolarHBondContact O-N 2.58Å; K161-E186 IonicContact NZ-OE1 3.43Å; K161-E186 IonicContact NZ-OE2 3.88Å; K161-E186 PolarHBondContact NZ-OE2 2.84Å; K161-N390 PolarHBondContact O-ND2 3.01Å; K161-N390 PolarHBondContact O-OD1 2.82Å
162	H	94.3	Very high	87.2	Confident	20 Å²	20	63.6 Å²	63.6	9%	0.093	35%	0.354	C	S	.	.			trans	-62.7	131.1	178	-65.5	-65.1	0	0	0	110.9	Y160 A181 Y182 E186	Y160-H162 AromaticContact CE1-CE1 3.63Å; Y160-H162 AromaticContact CE1-ND1 3.44Å; Y160-H162 WeakPolarHBondContact CE1-ND1 3.15Å; H162-A181 HydrophobicContact CB-CB 4.17Å; H162-Y182 PolarHBondContact CE1-N 3.49Å; H162-Y182 PolarHBondContact CE1-O 3.23Å; H162-Y182 VanDerWaalsContact NE2-C 3.32Å; H162-Y182 PolarHBondContact NE2-O 2.91Å; H162-E186 IonicContact CD2-OE1 3.28Å; H162-E186 PolarHBondContact CD2-OE1 2.72Å; H162-E186 VanDerWaalsContact CD2-OE1 3.22Å; H162-E186 IonicContact CG-OE1 3.2Å
163	N	95.2	Very high	89.6	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.053	35%	0.35	C	S	.	.			trans	-92.4	94	167.6	-175.7	-13	0	0	0	108.4	K161 D165 F166 I167 D387 I389	K161-N163 PolarHBondContact O-N 2.58Å; N163-D165 VanDerWaalsContact C-N 3.32Å; N163-D165 PolarHBondContact O-N 3.02Å; N163-D165 PolarHBondContact OD1-N 3.36Å; N163-F166 HydrophobicContact CB-CB 3.8Å; N163-F166 WeakPolarHBondContact O-CB 3.48Å; N163-F166 PolarHBondContact O-N 3.44Å; N163-F166 PolarHBondContact OD1-N 2.96Å; N163-I167 WeakPolarHBondContact O-CG1 3.36Å; N163-I167 PolarHBondContact O-N 3.19Å; N163-I167 VanDerWaalsContact O-N 3.1Å; N163-D387 PolarHBondContact ND2-OD1 3.26Å; N163-I389 HydrophobicContact CB-CB 4.45Å; N163-I389 HydrophobicContact CB-CD1 4.19Å; N163-I389 WeakPolarHBondContact ND2-CD1 3.39Å; N163-I389 WeakPolarHBondContact ND2-CG1 3.3Å
164	W	96.3	Very high	91.6	Very high	153 Å²	153	62.3 Å²	62.3	58%	0.58	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-39.4	-178.9	-65.1	100.5	0	0	0	112.1	F166 I167 D168 A181	W164-F166 VanDerWaalsContact C-N 3.29Å; W164-F166 PolarHBondContact O-N 3.31Å; W164-I167 HydrophobicContact CE3-CD1 4.49Å; W164-I167 PolarHBondContact O-N 3.32Å; W164-D168 WeakPolarHBondContact O-CB 3.2Å; W164-D168 PolarHBondContact O-N 3.38Å; W164-A181 HydrophobicContact CE3-CB 4.35Å; W164-A181 HydrophobicContact CH2-CB 3.42Å; W164-A181 VanDerWaalsContact CH2-CB 3.42Å; W164-A181 HydrophobicContact CZ2-CB 3.99Å; W164-A181 HydrophobicContact CZ3-CB 3.63Å
165	D	97	Very high	93.1	Very high	129 Å²	129	65.1 Å²	65.1	69%	0.69	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-38.5	176.7	-62.9	-27.1	0	0	0	111.5	N163 L169	N163-D165 VanDerWaalsContact C-N 3.32Å; N163-D165 PolarHBondContact O-N 3.02Å; N163-D165 PolarHBondContact OD1-N 3.36Å; D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 PolarHBondContact O-N 2.83Å
166	F	96.9	Very high	94.3	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-42.7	175.6	178.8	-116.8	0	0	0	112.2	N163 W164 L169 I170 P370 D371 L385 A386 D387	N163-F166 HydrophobicContact CB-CB 3.8Å; N163-F166 WeakPolarHBondContact O-CB 3.48Å; N163-F166 PolarHBondContact O-N 3.44Å; N163-F166 PolarHBondContact OD1-N 2.96Å; W164-F166 VanDerWaalsContact C-N 3.29Å; W164-F166 PolarHBondContact O-N 3.31Å; F166-L169 PolarHBondContact O-N 3.1Å; F166-I170 HydrophobicContact CD1-CD1 3.83Å; F166-I170 HydrophobicContact CD2-CD1 4.48Å; F166-I170 HydrophobicContact CE1-CD1 3.54Å; F166-I170 HydrophobicContact CE2-CD1 4.22Å; F166-I170 HydrophobicContact CE2-CG1 4.37Å; F166-I170 HydrophobicContact CG-CD1 4.3Å; F166-I170 HydrophobicContact CZ-CD1 3.75Å; F166-I170 HydrophobicContact CZ-CG1 4.32Å; F166-I170 VanDerWaalsContact O-CG1 3.3Å; F166-I170 WeakPolarHBondContact O-CG1 3.28Å; F166-I170 PolarHBondContact O-N 2.81Å; F166-P370 HydrophobicContact CE1-CB 4.22Å; F166-P370 HydrophobicContact CZ-CB 4.1Å; F166-D371 HydrophobicContact CE1-CB 4.4Å; F166-D371 HydrophobicContact CZ-CB 4.01Å; F166-L385 HydrophobicContact CE2-CB 3.68Å; F166-L385 HydrophobicContact CZ-CB 4.44Å; F166-A386 VanDerWaalsContact CE2-C 3.44Å; F166-A386 WeakPolarHBondContact CE2-O 3.07Å; F166-D387 HydrophobicContact CD1-CB 3.97Å; F166-D387 HydrophobicContact CD2-CB 4.34Å; F166-D387 HydrophobicContact CE1-CB 3.95Å; F166-D387 HydrophobicContact CE2-CB 4.31Å; F166-D387 HydrophobicContact CG-CB 4.17Å; F166-D387 HydrophobicContact CZ-CB 4.13Å
167	I	97.4	Very high	95.2	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-45.1	175.9	-68.3	164.6	0	0	0	110.6	N163 W164 L169 I170 N171 A179 A181 N374	N163-I167 WeakPolarHBondContact O-CG1 3.36Å; N163-I167 PolarHBondContact O-N 3.19Å; N163-I167 VanDerWaalsContact O-N 3.1Å; W164-I167 HydrophobicContact CE3-CD1 4.49Å; W164-I167 PolarHBondContact O-N 3.32Å; I167-L169 VanDerWaalsContact C-N 3.34Å; I167-I170 PolarHBondContact O-N 2.86Å; I167-N171 PolarHBondContact O-N 3.05Å; I167-N171 VanDerWaalsContact O-N 3.13Å; I167-N171 PolarHBondContact O-ND2 2.8Å; I167-N171 VanDerWaalsContact O-ND2 3.12Å; I167-A179 HydrophobicContact CG2-CB 4.05Å; I167-A181 HydrophobicContact CD1-CB 3.83Å; I167-N374 HydrophobicContact CG1-CB 4.29Å
168	D	97.6	Very high	95.7	Very high	93 Å²	93	65.5 Å²	65.5	50%	0.497	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-38.9	178.2	-72.6	-16.5	0	0	0	111.5	W164 N171 T172	W164-D168 WeakPolarHBondContact O-CB 3.2Å; W164-D168 PolarHBondContact O-N 3.38Å; D168-N171 PolarHBondContact O-N 2.95Å; D168-T172 WeakPolarHBondContact O-CB 3.44Å; D168-T172 PolarHBondContact O-N 3.45Å; D168-T172 PolarHBondContact O-OG1 2.87Å
169	L	97.5	Very high	96.2	Very high	78 Å²	78	60.3 Å²	60.3	41%	0.408	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-46.9	174.9	-177.2	62.9	0	0	0	111.8	D165 F166 I167 N171 T172 V173 L385	D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 PolarHBondContact O-N 2.83Å; F166-L169 PolarHBondContact O-N 3.1Å; I167-L169 VanDerWaalsContact C-N 3.34Å; L169-N171 VanDerWaalsContact C-N 3.27Å; L169-N171 PolarHBondContact O-N 2.91Å; L169-T172 WeakPolarHBondContact O-CB 3.46Å; L169-T172 PolarHBondContact O-N 2.85Å; L169-V173 HydrophobicContact CD1-CG1 3.87Å; L169-V173 HydrophobicContact CG-CG1 4.32Å; L169-V173 WeakPolarHBondContact O-CG1 3.09Å; L169-V173 PolarHBondContact O-N 3.29Å; L169-L385 HydrophobicContact CD2-CD1 4.09Å; L169-L385 HydrophobicContact CD2-CD2 3.98Å; L169-L385 HydrophobicContact CG-CD1 3.88Å; L169-L385 HydrophobicContact CG-CD2 4.39Å
170	I	97.8	Very high	96.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55	-46.1	175.5	-70.6	160.9	0	0	0	110.9	F166 I167 T172 Q174 W177 A179 D371 T383 L385	F166-I170 HydrophobicContact CD1-CD1 3.83Å; F166-I170 HydrophobicContact CD2-CD1 4.48Å; F166-I170 HydrophobicContact CE1-CD1 3.54Å; F166-I170 HydrophobicContact CE2-CD1 4.22Å; F166-I170 HydrophobicContact CE2-CG1 4.37Å; F166-I170 HydrophobicContact CG-CD1 4.3Å; F166-I170 HydrophobicContact CZ-CD1 3.75Å; F166-I170 HydrophobicContact CZ-CG1 4.32Å; F166-I170 VanDerWaalsContact O-CG1 3.3Å; F166-I170 WeakPolarHBondContact O-CG1 3.28Å; F166-I170 PolarHBondContact O-N 2.81Å; I167-I170 PolarHBondContact O-N 2.86Å; I170-T172 PolarHBondContact O-N 3.43Å; I170-Q174 PolarHBondContact O-NE2 3.29Å; I170-W177 HydrophobicContact CD1-CH2 4.41Å; I170-W177 HydrophobicContact CG2-CH2 3.45Å; I170-W177 VanDerWaalsContact CG2-CH2 3.45Å; I170-W177 HydrophobicContact CG2-CZ2 3.65Å; I170-W177 HydrophobicContact CG2-CZ3 3.95Å; I170-A179 HydrophobicContact CB-CB 4.06Å; I170-A179 HydrophobicContact CD1-CB 4.23Å; I170-A179 HydrophobicContact CG2-CB 3.7Å; I170-D371 HydrophobicContact CD1-CB 3.65Å; I170-D371 HydrophobicContact CG1-CB 4.18Å; I170-T383 HydrophobicContact CG2-CG2 4.34Å; I170-L385 HydrophobicContact CB-CD1 4.48Å; I170-L385 HydrophobicContact CG1-CD1 3.81Å
171	N	98.3	Very high	96.7	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-70.8	-17	-180	-72.2	-41.4	0	0	0	113.2	I167 D168 L169 A179	I167-N171 PolarHBondContact O-N 3.05Å; I167-N171 VanDerWaalsContact O-N 3.13Å; I167-N171 PolarHBondContact O-ND2 2.8Å; I167-N171 VanDerWaalsContact O-ND2 3.12Å; D168-N171 PolarHBondContact O-N 2.95Å; L169-N171 VanDerWaalsContact C-N 3.27Å; L169-N171 PolarHBondContact O-N 2.91Å; N171-A179 PolarHBondContact ND2-O 3.17Å; N171-A179 PolarHBondContact OD1-N 2.88Å
172	T	97.6	Very high	96.9	Very high	115 Å²	115	53.6 Å²	53.6	71%	0.706	29%	0.288	S	S	*	.	H	α-helix	trans	-89.1	-40.3	178.5	-59.3	0	0	0	0	112.1	D168 L169 I170	D168-T172 WeakPolarHBondContact O-CB 3.44Å; D168-T172 PolarHBondContact O-N 3.45Å; D168-T172 PolarHBondContact O-OG1 2.87Å; L169-T172 WeakPolarHBondContact O-CB 3.46Å; L169-T172 PolarHBondContact O-N 2.85Å; I170-T172 PolarHBondContact O-N 3.43Å
173	V	97.1	Very high	96.8	Very high	81 Å²	81	57.6 Å²	57.6	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-80.8	-19.3	-173.6	-59.3	0	0	0	0	113.9	L169 L385	L169-V173 HydrophobicContact CD1-CG1 3.87Å; L169-V173 HydrophobicContact CG-CG1 4.32Å; L169-V173 WeakPolarHBondContact O-CG1 3.09Å; L169-V173 PolarHBondContact O-N 3.29Å; V173-L385 HydrophobicContact CG2-CD1 3.75Å; V173-L385 HydrophobicContact CG2-CG 4.47Å
174	Q	95.4	Very high	96.7	Very high	21 Å²	21	60.3 Å²	60.3	10%	0.098	33%	0.329	C	S	.	.			trans	-146.2	163.5	178.6	67.3	71.7	44	0	0	111.8	I170 S176 W177 T383	I170-Q174 PolarHBondContact O-NE2 3.29Å; Q174-S176 PolarHBondContact OE1-OG 2.9Å; Q174-W177 PolarHBondContact NE2-O 3.23Å; Q174-W177 PolarHBondContact OE1-O 3.21Å; Q174-T383 HydrophobicContact CG-CG2 3.85Å
175	S	95.1	Very high	96.6	Very high	124 Å²	124	53.2 Å²	53.2	87%	0.867	30%	0.302	S	S	*	.			trans	-132.2	5.5	-176.9	56.3	0	0	0	0	115
176	S	95.4	Very high	96.4	Very high	32 Å²	32	50.2 Å²	50.2	22%	0.224	28%	0.284	C	S	.	.	S	Bend	trans	-75	-26.5	179.9	60.8	0	0	0	0	113.6	Q174 G378 I379 H381	Q174-S176 PolarHBondContact OE1-OG 2.9Å; S176-G378 CarbonylContact O-C 3.46Å; S176-G378 WeakPolarHBondContact O-CA 3.28Å; S176-I379 PolarHBondContact O-N 3.04Å; S176-I379 PolarHBondContact OG-O 3.28Å; S176-H381 PolarHBondContact OG-CE1 3Å; S176-H381 PolarHBondContact OG-ND1 3.44Å
177	W	97.6	Very high	96.3	Very high	9 Å²	9	56.4 Å²	56.4	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.2	177.7	63.9	-89.4	0	0	0	111.3	I170 Q174 A179 D371 Y375 G377 Y380 H381 T383	I170-W177 HydrophobicContact CD1-CH2 4.41Å; I170-W177 HydrophobicContact CG2-CH2 3.45Å; I170-W177 VanDerWaalsContact CG2-CH2 3.45Å; I170-W177 HydrophobicContact CG2-CZ2 3.65Å; I170-W177 HydrophobicContact CG2-CZ3 3.95Å; Q174-W177 PolarHBondContact NE2-O 3.23Å; Q174-W177 PolarHBondContact OE1-O 3.21Å; W177-A179 HydrophobicContact CE3-CB 4.48Å; W177-A179 HydrophobicContact CH2-CB 4.32Å; W177-A179 HydrophobicContact CZ3-CB 3.73Å; W177-D371 HydrophobicContact CH2-CB 3.97Å; W177-D371 WeakPolarHBondContact CH2-O 3.47Å; W177-D371 HydrophobicContact CZ2-CB 4.19Å; W177-Y375 HydrophobicContact CB-CD2 4.29Å; W177-Y375 HydrophobicContact CB-CE2 4.09Å; W177-Y375 HydrophobicContact CD2-CD2 4.31Å; W177-Y375 AromaticContact CE3-CD2 3.87Å; W177-Y375 HydrophobicContact CE3-CD2 3.87Å; W177-G377 CarbonylContact C-O 3.5Å; W177-G377 WeakPolarHBondContact CA-O 3.31Å; W177-G377 WeakPolarHBondContact CB-O 3.48Å; W177-Y380 HydrophobicContact CD2-CD2 4.11Å; W177-Y380 AromaticContact CE2-CD2 3.72Å; W177-Y380 HydrophobicContact CH2-CD2 4.28Å; W177-Y380 HydrophobicContact CH2-CE2 4.28Å; W177-Y380 AromaticContact CZ2-CD2 3.81Å; W177-Y380 HydrophobicContact CZ2-CD2 3.81Å; W177-Y380 AromaticContact CZ2-CE2 3.83Å; W177-Y380 HydrophobicContact CZ2-CE2 3.83Å; W177-Y380 AromaticContact NE1-CD2 3.94Å; W177-H381 AromaticContact CD1-ND1 3.89Å; W177-H381 AromaticContact NE1-ND1 3.99Å; W177-H381 PolarHBondContact NE1-O 2.99Å; W177-T383 HydrophobicContact CZ2-CG2 3.93Å
178	K	98.3	Very high	96.1	Very high	126 Å²	126	57.7 Å²	57.7	55%	0.548	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.6	-178.3	-176.4	176.6	-178.3	178.5	0	110.7	V180 K376 G377	K178-V180 HydrophobicContact CD-CG1 4.42Å; K178-V180 HydrophobicContact CG-CG1 4.32Å; K178-K376 WeakPolarHBondContact O-CB 3.13Å; K178-K376 PolarHBondContact O-N 3.41Å; K178-G377 PolarHBondContact N-O 3.03Å
179	A	98.3	Very high	95.9	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142	169.9	0	0	0	0	0	111.5	I167 I170 N171 W177 N374	I167-A179 HydrophobicContact CG2-CB 4.05Å; I170-A179 HydrophobicContact CB-CB 4.06Å; I170-A179 HydrophobicContact CD1-CB 4.23Å; I170-A179 HydrophobicContact CG2-CB 3.7Å; N171-A179 PolarHBondContact ND2-O 3.17Å; N171-A179 PolarHBondContact OD1-N 2.88Å; W177-A179 HydrophobicContact CE3-CB 4.48Å; W177-A179 HydrophobicContact CH2-CB 4.32Å; W177-A179 HydrophobicContact CZ3-CB 3.73Å; A179-N374 CarbonylContact C-O 3.45Å; A179-N374 WeakPolarHBondContact CA-O 3.47Å; A179-N374 HydrophobicContact CB-CB 4Å
180	V	98.1	Very high	95.6	Very high	32 Å²	32	51.4 Å²	51.4	19%	0.194	29%	0.287	C	S	.	.			trans	-143.8	159.1	172.5	-55.3	0	0	0	0	110.9	K178 Y182 N374 K376	K178-V180 HydrophobicContact CD-CG1 4.42Å; K178-V180 HydrophobicContact CG-CG1 4.32Å; V180-Y182 HydrophobicContact CG2-CD2 4.37Å; V180-Y182 HydrophobicContact CG2-CE1 4.27Å; V180-Y182 HydrophobicContact CG2-CE2 3.85Å; V180-N374 PolarHBondContact N-O 3.12Å; V180-N374 WeakPolarHBondContact O-CA 3.39Å; V180-N374 WeakPolarHBondContact O-CB 3.41Å; V180-K376 HydrophobicContact CB-CB 4.3Å; V180-K376 HydrophobicContact CG1-CB 3.74Å; V180-K376 HydrophobicContact CG1-CG 3.9Å; V180-K376 HydrophobicContact CG2-CB 3.7Å; V180-K376 HydrophobicContact CG2-CD 3.96Å; V180-K376 HydrophobicContact CG2-CG 3.95Å
181	A	97.1	Very high	95.1	Very high	18 Å²	18	55.1 Å²	55.1	15%	0.149	30%	0.301	C	S	.	.			trans	-77.9	137.8	166.8	0	0	0	0	0	110.8	H162 W164 I167	H162-A181 HydrophobicContact CB-CB 4.17Å; W164-A181 HydrophobicContact CE3-CB 4.35Å; W164-A181 HydrophobicContact CH2-CB 3.42Å; W164-A181 VanDerWaalsContact CH2-CB 3.42Å; W164-A181 HydrophobicContact CZ2-CB 3.99Å; W164-A181 HydrophobicContact CZ3-CB 3.63Å; I167-A181 HydrophobicContact CD1-CB 3.83Å
182	Y	96.3	Very high	94.8	Very high	14 Å²	14	55.4 Å²	55.4	6%	0.055	30%	0.301	C	S	.	.			trans	-106.4	107.1	170.3	-71.1	-79.6	0	0	0	109.9	H162 V180 E184 H185 Y375 K376 W425 G426	H162-Y182 PolarHBondContact CE1-N 3.49Å; H162-Y182 PolarHBondContact CE1-O 3.23Å; H162-Y182 VanDerWaalsContact NE2-C 3.32Å; H162-Y182 PolarHBondContact NE2-O 2.91Å; V180-Y182 HydrophobicContact CG2-CD2 4.37Å; V180-Y182 HydrophobicContact CG2-CE1 4.27Å; V180-Y182 HydrophobicContact CG2-CE2 3.85Å; Y182-E184 PolarHBondContact O-N 3.45Å; Y182-H185 AromaticContact CD2-CE1 3.76Å; Y182-H185 VanDerWaalsContact O-CB 3.31Å; Y182-H185 WeakPolarHBondContact O-CB 3.4Å; Y182-H185 PolarHBondContact O-N 3.5Å; Y182-Y375 WeakPolarHBondContact CE2-O 3.25Å; Y182-Y375 PolarHBondContact OH-O 3.15Å; Y182-K376 HydrophobicContact CE1-CD 4.5Å; Y182-K376 WeakPolarHBondContact OH-CA 3.48Å; Y182-K376 VanDerWaalsContact OH-CD 3.3Å; Y182-K376 WeakPolarHBondContact OH-CD 3.32Å; Y182-W425 AromaticContact CD2-CD1 3.93Å; Y182-W425 HydrophobicContact CE1-CB 4.44Å; Y182-W425 AromaticContact CE2-CD1 3.62Å; Y182-W425 AromaticContact CE2-NE1 3.79Å; Y182-W425 AromaticContact CZ-CD1 3.74Å; Y182-G426 WeakPolarHBondContact OH-CA 3.49Å; Y182-G426 PolarHBondContact OH-N 2.93Å
183	P	93.6	Very high	94.6	Very high	105 Å²	105	50 Å²	50	68%	0.682	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-53	-30.9	-179.2	-27.9	35.1	0	0	0	113.6	H185 E186	P183-H185 PolarHBondContact O-N 2.88Å; P183-E186 PolarHBondContact O-N 3.12Å
184	E	92.3	Very high	94.2	Very high	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-60.4	-29.1	175.6	-58.8	177.3	-175.3	0	0	113.2	Y182 E186 M187 Y188	Y182-E184 PolarHBondContact O-N 3.45Å; E184-E186 VanDerWaalsContact C-N 3.28Å; E184-E186 PolarHBondContact O-N 2.75Å; E184-M187 HydrophobicContact CB-CE 3.64Å; E184-M187 HydrophobicContact CG-CE 3.94Å; E184-M187 VanDerWaalsContact O-CB 3.3Å; E184-M187 WeakPolarHBondContact O-CB 3.4Å; E184-M187 PolarHBondContact O-N 2.85Å; E184-M187 VanDerWaalsContact O-N 3.15Å; E184-Y188 WeakPolarHBondContact O-CD2 3.11Å
185	H	93.8	Very high	93.9	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.019	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-66.5	-29.4	177.9	-68.9	-176.2	0	0	0	112.3	Y160 Y182 P183 M187 Y188 L193 M373 W425	Y160-H185 HydrophobicContact CD1-CB 3.78Å; Y160-H185 HydrophobicContact CE1-CB 3.88Å; Y182-H185 AromaticContact CD2-CE1 3.76Å; Y182-H185 VanDerWaalsContact O-CB 3.31Å; Y182-H185 WeakPolarHBondContact O-CB 3.4Å; Y182-H185 PolarHBondContact O-N 3.5Å; P183-H185 PolarHBondContact O-N 2.88Å; H185-M187 PolarHBondContact O-N 2.99Å; H185-Y188 PolarHBondContact O-N 3.12Å; H185-Y188 VanDerWaalsContact O-N 3.17Å; H185-L193 HydrophobicContact CB-CD1 4.26Å; H185-L193 HydrophobicContact CB-CD2 4.39Å; H185-M373 PolarHBondContact CE1-O 3.47Å; H185-W425 AromaticContact NE2-CD1 3.97Å
186	E	94	Very high	93.8	Very high	65 Å²	65	40.8 Å²	40.8	30%	0.304	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-70.5	-12.5	175.4	-58.1	-155.1	161.9	0	0	113.4	K161 H162 P183 E184 Y188	K161-E186 IonicContact NZ-OE1 3.43Å; K161-E186 IonicContact NZ-OE2 3.88Å; K161-E186 PolarHBondContact NZ-OE2 2.84Å; H162-E186 IonicContact CD2-OE1 3.28Å; H162-E186 PolarHBondContact CD2-OE1 2.72Å; H162-E186 VanDerWaalsContact CD2-OE1 3.22Å; H162-E186 IonicContact CG-OE1 3.2Å; P183-E186 PolarHBondContact O-N 3.12Å; E184-E186 VanDerWaalsContact C-N 3.28Å; E184-E186 PolarHBondContact O-N 2.75Å; E186-Y188 PolarHBondContact O-N 3.46Å
187	M	93.6	Very high	93.6	Very high	138 Å²	138	39.2 Å²	39.2	68%	0.68	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-75.5	-12.8	173.2	-55.9	-169	-72.4	0	0	112.6	E184 H185	E184-M187 HydrophobicContact CB-CE 3.64Å; E184-M187 HydrophobicContact CG-CE 3.94Å; E184-M187 VanDerWaalsContact O-CB 3.3Å; E184-M187 WeakPolarHBondContact O-CB 3.4Å; E184-M187 PolarHBondContact O-N 2.85Å; E184-M187 VanDerWaalsContact O-N 3.15Å; H185-M187 PolarHBondContact O-N 2.99Å
188	Y	94.2	Very high	93	Very high	32 Å²	32	39 Å²	39	13%	0.125	19%	0.194	C	C	.	.	S	Bend	trans	-104.1	148.1	179.7	-61.7	-74.3	0	0	0	110.9	Y160 E184 H185 E186 E192 L193	Y160-Y188 PolarHBondContact N-O 2.79Å; E184-Y188 WeakPolarHBondContact O-CD2 3.11Å; H185-Y188 PolarHBondContact O-N 3.12Å; H185-Y188 VanDerWaalsContact O-N 3.17Å; E186-Y188 PolarHBondContact O-N 3.46Å; Y188-E192 HydrophobicContact CD1-CB 3.99Å; Y188-E192 HydrophobicContact CG-CB 4.45Å; Y188-L193 HydrophobicContact CD2-CD2 3.73Å; Y188-L193 HydrophobicContact CG-CD2 3.98Å; Y188-L193 HydrophobicContact CG-CG 4.43Å
189	T	93.4	Very high	92.3	Very high	32 Å²	32	33 Å²	33	20%	0.196	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-68.8	159.7	161.3	61.7	0	0	0	0	110.5	P157 K158 R191 E192 L193	P157-T189 VanDerWaalsContact O-CG2 3.28Å; P157-T189 WeakPolarHBondContact O-CG2 3.33Å; K158-T189 VanDerWaalsContact O-CA 3.29Å; K158-T189 WeakPolarHBondContact O-CA 3.13Å; T189-R191 PolarHBondContact O-N 3.09Å; T189-E192 WeakPolarHBondContact CB-OE2 3.37Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.31Å; T189-E192 PolarHBondContact N-OE2 2.53Å; T189-E192 PolarHBondContact O-N 3.31Å; T189-E192 VanDerWaalsContact O-N 3.13Å; T189-E192 VanDerWaalsContact OG1-CG 3.23Å; T189-E192 WeakPolarHBondContact OG1-CG 3.24Å; T189-E192 PolarHBondContact OG1-N 2.83Å; T189-E192 PolarHBondContact OG1-OE2 2.89Å; T189-L193 PolarHBondContact O-N 3.46Å
190	L	89.6	Confident	91.1	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-52.6	-44.1	171.7	-81.5	166.9	0	0	0	110.9	L155 L156 K158 Y160 E192 L193 H194 N390 P391	L155-L190 HydrophobicContact CB-CD1 4.38Å; L155-L190 WeakPolarHBondContact O-CD1 3.22Å; L156-L190 HydrophobicContact CD2-CB 4.48Å; L156-L190 PolarHBondContact O-N 2.94Å; K158-L190 PolarHBondContact O-N 2.74Å; Y160-L190 HydrophobicContact CD2-CD2 3.8Å; L190-E192 PolarHBondContact O-N 2.91Å; L190-L193 PolarHBondContact O-N 3.45Å; L190-H194 PolarHBondContact O-N 3.19Å; L190-H194 PolarHBondContact O-ND1 3.33Å; L190-N390 HydrophobicContact CD2-CB 4.04Å; L190-P391 HydrophobicContact CD1-CG 4.3Å
191	R	88.8	Confident	89.8	Confident	77 Å²	77	33.8 Å²	33.8	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-56.2	-49.3	176.5	-176.6	179.6	-60.7	-94.3	-5.2	112.2	F151 L156 T189 L193 H194 Y195	F151-R191 PolarHBondContact O-NH2 2.96Å; L156-R191 HydrophobicContact CB-CB 4.33Å; L156-R191 WeakPolarHBondContact O-CB 3.48Å; L156-R191 PolarHBondContact O-N 2.93Å; T189-R191 PolarHBondContact O-N 3.09Å; R191-L193 VanDerWaalsContact C-N 3.32Å; R191-L193 PolarHBondContact O-N 2.91Å; R191-H194 WeakPolarHBondContact O-CB 3.28Å; R191-H194 PolarHBondContact O-N 2.99Å; R191-H194 VanDerWaalsContact O-N 3.16Å; R191-Y195 HydrophobicContact CG-CD2 3.84Å; R191-Y195 HydrophobicContact CG-CE2 3.77Å; R191-Y195 WeakPolarHBondContact O-CD2 3.23Å; R191-Y195 PolarHBondContact O-N 3.22Å
192	E	92.4	Very high	88.5	Confident	62 Å²	62	34 Å²	34	29%	0.29	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-35.3	-179	-70.9	167.2	129.4	0	0	112.4	Y188 T189 L190 Y195 R196	Y188-E192 HydrophobicContact CD1-CB 3.99Å; Y188-E192 HydrophobicContact CG-CB 4.45Å; T189-E192 WeakPolarHBondContact CB-OE2 3.37Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.31Å; T189-E192 PolarHBondContact N-OE2 2.53Å; T189-E192 PolarHBondContact O-N 3.31Å; T189-E192 VanDerWaalsContact O-N 3.13Å; T189-E192 VanDerWaalsContact OG1-CG 3.23Å; T189-E192 WeakPolarHBondContact OG1-CG 3.24Å; T189-E192 PolarHBondContact OG1-N 2.83Å; T189-E192 PolarHBondContact OG1-OE2 2.89Å; L190-E192 PolarHBondContact O-N 2.91Å; E192-Y195 PolarHBondContact O-N 3.04Å; E192-R196 WeakPolarHBondContact O-CB 3.4Å; E192-R196 PolarHBondContact O-N 2.94Å
193	L	91.4	Very high	87.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-36.7	172.4	-74.4	-177.2	0	0	0	112.7	Y160 H185 Y188 T189 L190 R191 R196 A197 M373	Y160-L193 VanDerWaalsContact CB-CD1 3.49Å; Y160-L193 HydrophobicContact CD1-CD1 3.76Å; Y160-L193 HydrophobicContact CD2-CD1 3.57Å; Y160-L193 HydrophobicContact CE1-CD1 4.36Å; Y160-L193 HydrophobicContact CE2-CD1 4.21Å; Y160-L193 HydrophobicContact CG-CD1 3.31Å; H185-L193 HydrophobicContact CB-CD1 4.26Å; H185-L193 HydrophobicContact CB-CD2 4.39Å; Y188-L193 HydrophobicContact CD2-CD2 3.73Å; Y188-L193 HydrophobicContact CG-CD2 3.98Å; Y188-L193 HydrophobicContact CG-CG 4.43Å; T189-L193 PolarHBondContact O-N 3.46Å; L190-L193 PolarHBondContact O-N 3.45Å; R191-L193 VanDerWaalsContact C-N 3.32Å; R191-L193 PolarHBondContact O-N 2.91Å; L193-R196 PolarHBondContact O-N 2.87Å; L193-A197 WeakPolarHBondContact O-CB 3.3Å; L193-A197 PolarHBondContact O-N 3.23Å; L193-M373 HydrophobicContact CB-CE 4.18Å; L193-M373 HydrophobicContact CD1-CE 4.41Å; L193-M373 HydrophobicContact CD2-CE 3.96Å; L193-M373 HydrophobicContact CG-CE 4.42Å
194	H	89.3	Confident	86.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-47.2	173.9	-75.1	75.5	0	0	0	110.9	L190 R191 R196 A197 G198 G199 F392 E393 T395	L190-H194 PolarHBondContact O-N 3.19Å; L190-H194 PolarHBondContact O-ND1 3.33Å; R191-H194 WeakPolarHBondContact O-CB 3.28Å; R191-H194 PolarHBondContact O-N 2.99Å; R191-H194 VanDerWaalsContact O-N 3.16Å; H194-R196 PolarHBondContact O-N 3.47Å; H194-A197 CarbonylContact O-C 3.51Å; H194-A197 WeakPolarHBondContact O-CA 3.27Å; H194-A197 PolarHBondContact O-N 3.17Å; H194-A197 VanDerWaalsContact O-N 3.1Å; H194-G198 PolarHBondContact O-N 3.44Å; H194-G199 WeakPolarHBondContact O-CA 3.42Å; H194-G199 PolarHBondContact O-N 3.49Å; H194-F392 AromaticContact CE1-CD2 3.77Å; H194-F392 WeakPolarHBondContact NE2-CA 3.39Å; H194-F392 AromaticContact NE2-CD2 3.94Å; H194-E393 PolarHBondContact NE2-N 3Å; H194-T395 HydrophobicContact CB-CG2 4.48Å
195	Y	89.7	Confident	84.7	Confident	30 Å²	30	40.1 Å²	40.1	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-42.4	176.3	-84.7	-75	0	0	0	111.9	R191 E192 A197 G198 S247 G249 D292	R191-Y195 HydrophobicContact CG-CD2 3.84Å; R191-Y195 HydrophobicContact CG-CE2 3.77Å; R191-Y195 WeakPolarHBondContact O-CD2 3.23Å; R191-Y195 PolarHBondContact O-N 3.22Å; E192-Y195 PolarHBondContact O-N 3.04Å; Y195-A197 PolarHBondContact O-N 3.27Å; Y195-G198 WeakPolarHBondContact O-CA 3.35Å; Y195-G198 PolarHBondContact O-N 2.93Å; Y195-S247 WeakPolarHBondContact CB-O 3.45Å; Y195-G249 WeakPolarHBondContact O-CA 3.34Å; Y195-D292 VanDerWaalsContact CE1-OD1 3.22Å; Y195-D292 WeakPolarHBondContact CE1-OD1 3.38Å; Y195-D292 PolarHBondContact OH-OD1 3.17Å
196	R	92.1	Very high	83.5	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-32.9	173.2	179.1	177.6	-176.5	81.8	-13.3	112.6	E192 L193 H194 G198 N244 Q245 G246 W421	E192-R196 WeakPolarHBondContact O-CB 3.4Å; E192-R196 PolarHBondContact O-N 2.94Å; L193-R196 PolarHBondContact O-N 2.87Å; H194-R196 PolarHBondContact O-N 3.47Å; R196-G198 VanDerWaalsContact C-N 3.29Å; R196-N244 PolarHBondContact NH1-OD1 2.89Å; R196-N244 PolarHBondContact NH2-OD1 3.47Å; R196-Q245 HydrophobicContact CG-CG 4.41Å; R196-Q245 PolarHBondContact O-NE2 2.84Å; R196-G246 WeakPolarHBondContact CG-O 3.32Å; R196-G246 PolarHBondContact NH1-O 2.82Å; R196-W421 HydrophobicContact CG-CG 4.37Å; R196-W421 PolarHBondContact NH2-O 3.44Å; R196-W421 PolarHBondContact O-NE1 3.25Å
197	A	91.1	Very high	82.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.1	174	0	0	0	0	0	114.5	L193 H194 Y195 V368 M373 F392 T395 N396 H397 W421	L193-A197 WeakPolarHBondContact O-CB 3.3Å; L193-A197 PolarHBondContact O-N 3.23Å; H194-A197 CarbonylContact O-C 3.51Å; H194-A197 WeakPolarHBondContact O-CA 3.27Å; H194-A197 PolarHBondContact O-N 3.17Å; H194-A197 VanDerWaalsContact O-N 3.1Å; Y195-A197 PolarHBondContact O-N 3.27Å; A197-V368 HydrophobicContact CB-CB 4.24Å; A197-V368 HydrophobicContact CB-CG1 3.95Å; A197-M373 HydrophobicContact CB-SD 4.3Å; A197-F392 HydrophobicContact CB-CE2 4.37Å; A197-F392 HydrophobicContact CB-CZ 3.78Å; A197-T395 HydrophobicContact CB-CG2 4.32Å; A197-T395 VanDerWaalsContact CB-OG1 3.3Å; A197-T395 WeakPolarHBondContact CB-OG1 3.38Å; A197-T395 WeakPolarHBondContact O-CB 3.26Å; A197-T395 PolarHBondContact O-OG1 3.12Å; A197-N396 CarbonylContact O-C 3.42Å; A197-H397 VanDerWaalsContact O-CB 3.31Å; A197-H397 WeakPolarHBondContact O-CB 3.34Å; A197-W421 HydrophobicContact CB-CZ2 4.19Å
198	G	86.5	Confident	81.6	Confident	4 Å²	4	41.8 Å²	41.8	4%	0.041	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	-2.3	174.4	0	0	0	0	0	115.7	H194 Y195 R196 N396	H194-G198 PolarHBondContact O-N 3.44Å; Y195-G198 WeakPolarHBondContact O-CA 3.35Å; Y195-G198 PolarHBondContact O-N 2.93Å; R196-G198 VanDerWaalsContact C-N 3.29Å; G198-N396 WeakPolarHBondContact CA-O 3.29Å; G198-N396 PolarHBondContact O-OD1 3.03Å
199	G	83.8	Confident	81	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	24%	0.241	C	C	.	.	S	Bend	trans	82.2	176.5	-177.3	0	0	0	0	0	112.6	H194 A201 T395 N396	H194-G199 WeakPolarHBondContact O-CA 3.42Å; H194-G199 PolarHBondContact O-N 3.49Å; G199-A201 PolarHBondContact O-N 2.73Å; G199-T395 WeakPolarHBondContact O-CA 3.25Å; G199-T395 WeakPolarHBondContact O-CB 3.41Å; G199-T395 WeakPolarHBondContact O-CG2 3.46Å; G199-N396 PolarHBondContact O-OD1 3.25Å
200	P	72.4	Confident	80.5	Confident	32 Å²	32	50.6 Å²	50.6	21%	0.208	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-60.3	129.8	-173.1	-23	34.2	0	0	0	111.9	F151 S202	F151-P200 HydrophobicContact CD2-CG 4.37Å; F151-P200 HydrophobicContact CE1-CG 4Å; F151-P200 HydrophobicContact CE2-CG 3.19Å; F151-P200 HydrophobicContact CZ-CB 4.4Å; F151-P200 HydrophobicContact CZ-CG 3Å; P200-S202 PolarHBondContact O-N 2.94Å
201	A	70.3	Confident	80.3	Confident	18 Å²	18	51.6 Å²	51.6	15%	0.149	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-63.6	131.2	171.5	0	0	0	0	0	109.7	G199 R203 L394	G199-A201 PolarHBondContact O-N 2.73Å; A201-R203 PolarHBondContact O-N 3.12Å; A201-L394 HydrophobicContact CB-CB 4.44Å; A201-L394 HydrophobicContact CB-CG 4Å; A201-L394 WeakPolarHBondContact CB-O 3.22Å; A201-L394 PolarHBondContact N-O 2.66Å
202	S	70.3	Confident	80.1	Confident	23 Å²	23	53.8 Å²	53.8	16%	0.161	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-58.8	136.4	168.8	-74.1	0	0	0	0	111	N85 P200 I204	N85-S202 WeakPolarHBondContact ND2-CB 3.21Å; N85-S202 PolarHBondContact ND2-OG 2.89Å; N85-S202 VanDerWaalsContact ND2-OG 3.09Å; P200-S202 PolarHBondContact O-N 2.94Å; S202-I204 PolarHBondContact O-N 3.08Å
203	R	70.3	Confident	79.6	Confident	194 Å²	194	54 Å²	54	73%	0.732	28%	0.282	S	S	*	.			trans	-77.6	89.6	171.1	-68.2	-173.9	-177.3	-173.3	1.1	109.5	N25 A201	N25-R203 PolarHBondContact ND2-O 2.84Å; A201-R203 PolarHBondContact O-N 3.12Å
204	I	68.8	Low	79.2	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.118	31%	0.313	C	S	.	.			trans	-89.5	119.7	175.4	-56.4	-178.7	0	0	0	108.8	Y84 N85 S202 V206	Y84-I204 HydrophobicContact CD1-CD1 4.45Å; Y84-I204 HydrophobicContact CD2-CD1 4.09Å; Y84-I204 HydrophobicContact CE1-CD1 3.85Å; Y84-I204 HydrophobicContact CE2-CD1 3.42Å; Y84-I204 VanDerWaalsContact CE2-CD1 3.42Å; Y84-I204 WeakPolarHBondContact OH-CD1 3.38Å; N85-I204 HydrophobicContact CB-CD1 3.92Å; N85-I204 HydrophobicContact CB-CG1 4.36Å; S202-I204 PolarHBondContact O-N 3.08Å; I204-V206 VanDerWaalsContact C-N 3.3Å; I204-V206 VanDerWaalsContact CG2-O 3.3Å; I204-V206 WeakPolarHBondContact CG2-O 3.21Å; I204-V206 PolarHBondContact O-N 2.83Å
205	P	62.8	Low	79	Confident	96 Å²	96	64.7 Å²	64.7	62%	0.623	35%	0.347	S	S	*	.	S	Bend	trans	-60	-37.2	-175.9	-25.5	33.9	0	0	0	114
206	V	68.6	Low	78.7	Confident	115 Å²	115	65.5 Å²	65.5	70%	0.697	37%	0.365	S	S	*	.	S	Bend	trans	-128.6	107.9	177.3	-178.1	0	0	0	0	107.7	I204	I204-V206 VanDerWaalsContact C-N 3.3Å; I204-V206 VanDerWaalsContact CG2-O 3.3Å; I204-V206 WeakPolarHBondContact CG2-O 3.21Å; I204-V206 PolarHBondContact O-N 2.83Å
207	R	71.4	Confident	78.3	Confident	86 Å²	86	68.1 Å²	68.1	33%	0.325	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-74.8	139.5	173	-72.2	-177.1	178.4	-121.5	-2.7	110.3	R209 E367	R207-R209 PolarHBondContact O-N 2.85Å; R207-E367 IonicContact CZ-OE1 3.59Å; R207-E367 IonicContact NE-OE1 2.74Å; R207-E367 IonicContact NH1-OE1 3.6Å; R207-E367 PolarHBondContact NH1-OE1 2.81Å; R207-E367 IonicContact NH1-OE2 2.76Å; R207-E367 IonicContact NH2-OE1 3.24Å; R207-E367 PolarHBondContact NH2-OE1 2.93Å
208	V	76.4	Confident	78	Confident	42 Å²	42	70.1 Å²	70.1	26%	0.255	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-68.1	123.9	172.5	-176.7	0	0	0	0	107.7	Y344	V208-Y344 HydrophobicContact CB-CE1 4.32Å; V208-Y344 HydrophobicContact CG2-CD1 4.15Å; V208-Y344 HydrophobicContact CG2-CE1 3.5Å; V208-Y344 VanDerWaalsContact CG2-CE1 3.5Å
209	R	80.9	Confident	78.1	Confident	209 Å²	209	78 Å²	78	79%	0.789	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-91.5	158.5	174.7	-65.2	-174.3	-175.4	-173.9	0.2	109.4	R207 A211	R207-R209 PolarHBondContact O-N 2.85Å; R209-A211 PolarHBondContact O-N 3.18Å
210	P	83.4	Confident	78.3	Confident	40 Å²	40	82.2 Å²	82.2	26%	0.26	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-53.8	138.8	173.1	-26.3	33.5	0	0	0	111.7	C347 D438 E443	P210-C347 CarbonylContact C-O 3.57Å; P210-C347 WeakPolarHBondContact CA-O 3.22Å; P210-C347 WeakPolarHBondContact CB-O 3.45Å; P210-D438 VanDerWaalsContact CD-OD2 3.24Å; P210-D438 WeakPolarHBondContact CD-OD2 3.13Å; P210-D438 HydrophobicContact CG-CB 3.66Å; P210-E443 HydrophobicContact CG-CB 4.08Å
211	A	86.4	Confident	79.1	Confident	28 Å²	28	81.3 Å²	81.3	23%	0.231	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.4	177.2	0	0	0	0	0	110.5	R209 V213 C347	R209-A211 PolarHBondContact O-N 3.18Å; A211-V213 PolarHBondContact O-N 2.81Å; A211-C347 PolarHBondContact N-O 3.31Å
212	P	84.4	Confident	80	Confident	122 Å²	122	84.6 Å²	84.6	79%	0.792	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-54.4	135	169.4	-23.4	33.4	0	0	0	110.7	E214	P212-E214 PolarHBondContact O-N 2.63Å
213	V	81.1	Confident	81.2	Confident	67 Å²	67	87.6 Å²	87.6	41%	0.406	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-75.3	119.3	-179.4	-176.1	0	0	0	0	109.6	A211 L217 A218 T350	A211-V213 PolarHBondContact O-N 2.81Å; V213-L217 HydrophobicContact CG1-CB 4.3Å; V213-A218 HydrophobicContact CG1-CB 3.84Å; V213-T350 HydrophobicContact CG1-CG2 3.74Å; V213-T350 WeakPolarHBondContact CG1-OG1 2.93Å
214	E	84	Confident	82.4	Confident	139 Å²	139	79.9 Å²	79.9	65%	0.65	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-67.5	146.4	172.8	-59.3	-174.7	168.9	0	0	111.5	P212 G216 L217 A218	P212-E214 PolarHBondContact O-N 2.63Å; E214-G216 PolarHBondContact O-N 2.04Å; E214-G216 VanDerWaalsContact O-N 3.17Å; E214-L217 HydrophobicContact CB-CD1 4.22Å; E214-L217 HydrophobicContact CG-CD1 4.44Å; E214-L217 WeakPolarHBondContact O-CB 3.47Å; E214-L217 PolarHBondContact O-N 2.9Å; E214-L217 VanDerWaalsContact O-N 3.1Å; E214-A218 PolarHBondContact O-N 3.31Å
215	A	83.3	Confident	83.7	Confident	87 Å²	87	81.5 Å²	81.5	72%	0.719	48%	0.482	S	S	*	.	H	α-helix	trans	-58.3	-34.8	-176.1	0	0	0	0	0	113.5	K219	A215-K219 PolarHBondContact O-N 2.67Å
216	G	84.4	Confident	85.2	Confident	47 Å²	47	82.2 Å²	82.2	49%	0.485	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-48.3	175.8	0	0	0	0	0	112.3	E214 A218 K219 M220	E214-G216 PolarHBondContact O-N 2.04Å; E214-G216 VanDerWaalsContact O-N 3.17Å; G216-A218 PolarHBondContact O-N 2.85Å; G216-K219 PolarHBondContact O-N 3.37Å; G216-M220 WeakPolarHBondContact O-CG 3.35Å; G216-M220 PolarHBondContact O-N 2.98Å; G216-M220 VanDerWaalsContact O-N 3.08Å
217	L	82.9	Confident	86.6	Confident	57 Å²	57	80 Å²	80	30%	0.298	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-44.1	175.8	-81.8	164	0	0	0	111.5	V213 E214 K219 M220 A221 T350 L354	V213-L217 HydrophobicContact CG1-CB 4.3Å; E214-L217 HydrophobicContact CB-CD1 4.22Å; E214-L217 HydrophobicContact CG-CD1 4.44Å; E214-L217 WeakPolarHBondContact O-CB 3.47Å; E214-L217 PolarHBondContact O-N 2.9Å; E214-L217 VanDerWaalsContact O-N 3.1Å; L217-K219 VanDerWaalsContact C-N 3.34Å; L217-K219 PolarHBondContact O-N 2.59Å; L217-M220 PolarHBondContact O-N 3.11Å; L217-A221 PolarHBondContact O-N 3.2Å; L217-T350 HydrophobicContact CB-CG2 3.8Å; L217-T350 VanDerWaalsContact O-CG2 3.32Å; L217-T350 WeakPolarHBondContact O-CG2 3.28Å; L217-L354 HydrophobicContact CD2-CD1 3.45Å; L217-L354 VanDerWaalsContact CD2-CD1 3.45Å
218	A	85.8	Confident	87.9	Confident	42 Å²	42	78.3 Å²	78.3	35%	0.347	45%	0.453	S	S	.	.	H	α-helix	trans	-59	-44.2	176.4	0	0	0	0	0	112.1	V213 E214 G216 M220 A221 A222	V213-A218 HydrophobicContact CG1-CB 3.84Å; E214-A218 PolarHBondContact O-N 3.31Å; G216-A218 PolarHBondContact O-N 2.85Å; A218-M220 VanDerWaalsContact C-N 3.32Å; A218-M220 PolarHBondContact O-N 2.79Å; A218-A221 PolarHBondContact O-N 2.56Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.97Å
219	K	88.8	Confident	88.9	Confident	169 Å²	169	77.9 Å²	77.9	74%	0.735	45%	0.449	S	S	*	.	H	α-helix	trans	-62.4	-39.1	177	-175	179.4	179	-178.5	0	112	A215 G216 L217 A222	A215-K219 PolarHBondContact O-N 2.67Å; G216-K219 PolarHBondContact O-N 3.37Å; L217-K219 VanDerWaalsContact C-N 3.34Å; L217-K219 PolarHBondContact O-N 2.59Å; K219-A222 PolarHBondContact O-N 2.92Å
220	M	88.6	Confident	89.8	Confident	91 Å²	91	68.7 Å²	68.7	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-68.1	-42.8	177	-66.9	173.7	68.2	0	0	111.7	G216 L217 A218 A222 A223 L354 K358	G216-M220 WeakPolarHBondContact O-CG 3.35Å; G216-M220 PolarHBondContact O-N 2.98Å; G216-M220 VanDerWaalsContact O-N 3.08Å; L217-M220 PolarHBondContact O-N 3.11Å; A218-M220 VanDerWaalsContact C-N 3.32Å; A218-M220 PolarHBondContact O-N 2.79Å; M220-A222 VanDerWaalsContact C-N 3.29Å; M220-A222 PolarHBondContact O-N 3.17Å; M220-A223 PolarHBondContact O-N 2.89Å; M220-A223 VanDerWaalsContact O-N 3.17Å; M220-L354 HydrophobicContact CB-CD1 4.21Å; M220-L354 HydrophobicContact CB-CD2 3.85Å; M220-L354 HydrophobicContact CE-CD2 4.44Å; M220-K358 VanDerWaalsContact CE-NZ 3.26Å
221	A	88.4	Confident	90.5	Very high	12 Å²	12	70.6 Å²	70.6	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-66.7	-30.2	176.4	0	0	0	0	0	113.2	L217 A218 A223 L224 T350	L217-A221 PolarHBondContact O-N 3.2Å; A218-A221 PolarHBondContact O-N 2.56Å; A221-A223 PolarHBondContact O-N 2.97Å; A221-L224 HydrophobicContact CB-CD1 4.26Å; A221-L224 WeakPolarHBondContact O-CB 3.28Å; A221-L224 PolarHBondContact O-N 3.13Å; A221-T350 HydrophobicContact CB-CG2 3.65Å
222	A	89.6	Confident	91.1	Very high	87 Å²	87	74 Å²	74	72%	0.719	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.3	174	0	0	0	0	0	113.6	A218 K219 M220	A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.97Å; K219-A222 PolarHBondContact O-N 2.92Å; M220-A222 VanDerWaalsContact C-N 3.29Å; M220-A222 PolarHBondContact O-N 3.17Å
223	A	94.1	Very high	91.8	Very high	87 Å²	87	69.5 Å²	69.5	72%	0.719	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.1	175	0	0	0	0	0	113.5	M220 A221	M220-A223 PolarHBondContact O-N 2.89Å; M220-A223 VanDerWaalsContact O-N 3.17Å; A221-A223 PolarHBondContact O-N 2.97Å
224	L	96.1	Very high	92.5	Very high	31 Å²	31	74.2 Å²	74.2	16%	0.162	42%	0.424	C	S	.	.	S	Bend	trans	-75.9	154.4	177.4	-63.3	176.4	0	0	0	111	A221 M353 L354 V357	A221-L224 HydrophobicContact CB-CD1 4.26Å; A221-L224 WeakPolarHBondContact O-CB 3.28Å; A221-L224 PolarHBondContact O-N 3.13Å; L224-M353 HydrophobicContact CD1-CB 3.72Å; L224-M353 HydrophobicContact CD1-CE 4.36Å; L224-L354 HydrophobicContact CD1-CD2 3.96Å; L224-L354 HydrophobicContact CD1-CG 4.16Å; L224-L354 HydrophobicContact CD2-CD2 4.28Å; L224-L354 HydrophobicContact CG-CD2 4.3Å; L224-V357 HydrophobicContact CD1-CG2 4.33Å; L224-V357 HydrophobicContact CD2-CB 3.97Å; L224-V357 HydrophobicContact CD2-CG1 3.95Å; L224-V357 HydrophobicContact CD2-CG2 4.17Å
225	P	96.4	Very high	93.1	Very high	57 Å²	57	70.7 Å²	70.7	37%	0.37	43%	0.425	S	S	.	.			trans	-54.2	146	171.1	-25.9	36.2	0	0	0	111.7	H227 W228 Y404	P225-H227 WeakPolarHBondContact CB-O 3.47Å; P225-H227 PolarHBondContact O-N 3.05Å; P225-W228 HydrophobicContact CB-CE3 4.35Å; P225-W228 HydrophobicContact CG-CE3 3.9Å; P225-W228 HydrophobicContact CG-CZ3 4.13Å; P225-Y404 WeakPolarHBondContact O-CE2 3.28Å; P225-Y404 PolarHBondContact O-OH 2.8Å
226	E	94.8	Very high	93.9	Very high	112 Å²	112	69.4 Å²	69.4	52%	0.523	41%	0.408	S	S	.	.	S	Bend	trans	-66.7	-27.4	175.7	-176.3	175.6	-157.4	0	0	112.2	Y404 R406	E226-Y404 WeakPolarHBondContact O-CD2 3.49Å; E226-Y404 WeakPolarHBondContact O-CE2 3.3Å; E226-R406 HydrophobicContact CG-CB 4.29Å; E226-R406 WeakPolarHBondContact OE1-CD 3.48Å
227	H	97.3	Very high	94.5	Very high	68 Å²	68	70.7 Å²	70.7	32%	0.315	40%	0.404	S	S	.	.			trans	-128.4	137.8	177.8	-60.3	-103.7	0	0	0	109.9	P225 R406 H408	P225-H227 WeakPolarHBondContact CB-O 3.47Å; P225-H227 PolarHBondContact O-N 3.05Å; H227-R406 PolarHBondContact CE1-N 2.96Å; H227-R406 PolarHBondContact CE1-O 3.37Å; H227-H408 AromaticContact CE1-CE1 3.64Å; H227-H408 AromaticContact CE1-NE2 3.59Å; H227-H408 AromaticContact NE2-CE1 3.29Å; H227-H408 PolarHBondContact NE2-CE1 3.17Å; H227-H408 VanDerWaalsContact NE2-CE1 3.29Å; H227-H408 AromaticContact NE2-NE2 3.67Å
228	W	98.6	Very high	95.3	Very high	51 Å²	51	68.8 Å²	68.8	19%	0.193	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.3	175.3	-169.2	-98.4	0	0	0	109.9	P225 W230 V233 V357 G403 Y404	P225-W228 HydrophobicContact CB-CE3 4.35Å; P225-W228 HydrophobicContact CG-CE3 3.9Å; P225-W228 HydrophobicContact CG-CZ3 4.13Å; W228-W230 AromaticContact CD1-CD1 3.92Å; W228-W230 AromaticContact CD1-NE1 3.78Å; W228-W230 AromaticContact CE2-CE2 3.95Å; W228-W230 AromaticContact CZ2-CH2 3.86Å; W228-W230 HydrophobicContact CZ2-CH2 3.86Å; W228-W230 AromaticContact CZ2-CZ2 3.74Å; W228-W230 HydrophobicContact CZ2-CZ2 3.74Å; W228-W230 HydrophobicContact CZ2-CZ3 4.28Å; W228-W230 AromaticContact NE1-CD1 3.5Å; W228-W230 AromaticContact NE1-CD2 3.71Å; W228-W230 AromaticContact NE1-CE2 3.21Å; W228-W230 AromaticContact NE1-CG 3.89Å; W228-W230 AromaticContact NE1-CZ2 3.7Å; W228-W230 AromaticContact NE1-NE1 3.06Å; W228-V233 HydrophobicContact CH2-CG1 4.23Å; W228-V233 HydrophobicContact CZ2-CG2 4.16Å; W228-V357 HydrophobicContact CB-CG2 4.24Å; W228-V357 HydrophobicContact CD2-CB 4.45Å; W228-V357 HydrophobicContact CD2-CG1 4.17Å; W228-V357 HydrophobicContact CD2-CG2 3.93Å; W228-V357 HydrophobicContact CE3-CG1 4.18Å; W228-V357 HydrophobicContact CE3-CG2 4.43Å; W228-V357 HydrophobicContact CG-CG2 3.82Å; W228-V357 HydrophobicContact CH2-CG1 4.14Å; W228-V357 HydrophobicContact CZ2-CG1 4.13Å; W228-V357 HydrophobicContact CZ3-CG1 4.16Å; W228-G403 CarbonylContact O-C 3.57Å; W228-G403 WeakPolarHBondContact O-CA 3.41Å; W228-Y404 HydrophobicContact CB-CD1 4.07Å; W228-Y404 HydrophobicContact CB-CE1 3.62Å; W228-Y404 HydrophobicContact CB-CE2 4.21Å; W228-Y404 HydrophobicContact CG-CE1 4.41Å; W228-Y404 PolarHBondContact N-O 2.88Å; W228-Y404 PolarHBondContact O-N 3.21Å; W228-Y404 VanDerWaalsContact O-O 3.07Å
229	D	98.8	Very high	95.9	Very high	33 Å²	33	66.8 Å²	66.8	18%	0.176	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	111.8	176.8	-170.3	-15	0	0	0	109.9	R231 N232 I416	D229-R231 PolarHBondContact O-N 2.91Å; D229-R231 WeakPolarHBondContact OD1-CB 3.05Å; D229-R231 VanDerWaalsContact OD1-CG 3.24Å; D229-R231 WeakPolarHBondContact OD1-CG 3.47Å; D229-R231 IonicContact OD1-CZ 2.66Å; D229-R231 PolarHBondContact OD1-N 2.92Å; D229-R231 IonicContact OD1-NE 2.84Å; D229-R231 PolarHBondContact OD1-NE 2.92Å; D229-R231 IonicContact OD1-NH2 3.68Å; D229-R231 IonicContact OD2-CZ 3.66Å; D229-R231 VanDerWaalsContact OD2-CZ 3.28Å; D229-R231 IonicContact OD2-NE 3.39Å; D229-R231 PolarHBondContact OD2-NE 3.1Å; D229-R231 IonicContact OD2-NH2 3.08Å; D229-R231 PolarHBondContact OD2-NH2 3.1Å; D229-N232 CarbonylContact O-C 3.18Å; D229-N232 PolarHBondContact O-N 3.05Å; D229-I416 HydrophobicContact CB-CD1 4.14Å
230	W	98.8	Very high	96.4	Very high	16 Å²	16	58.9 Å²	58.9	6%	0.061	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.3	178.3	-78.8	110.5	0	0	0	114.1	W228 N232 V233 F238 V239 I266 L356 P361 V402	W228-W230 AromaticContact CD1-CD1 3.92Å; W228-W230 AromaticContact CD1-NE1 3.78Å; W228-W230 AromaticContact CE2-CE2 3.95Å; W228-W230 AromaticContact CZ2-CH2 3.86Å; W228-W230 HydrophobicContact CZ2-CH2 3.86Å; W228-W230 AromaticContact CZ2-CZ2 3.74Å; W228-W230 HydrophobicContact CZ2-CZ2 3.74Å; W228-W230 HydrophobicContact CZ2-CZ3 4.28Å; W228-W230 AromaticContact NE1-CD1 3.5Å; W228-W230 AromaticContact NE1-CD2 3.71Å; W228-W230 AromaticContact NE1-CE2 3.21Å; W228-W230 AromaticContact NE1-CG 3.89Å; W228-W230 AromaticContact NE1-CZ2 3.7Å; W228-W230 AromaticContact NE1-NE1 3.06Å; W230-N232 VanDerWaalsContact C-N 3.3Å; W230-V233 HydrophobicContact CD2-CG2 4.35Å; W230-V233 HydrophobicContact CE3-CG2 3.7Å; W230-V233 HydrophobicContact CZ3-CG2 4.05Å; W230-F238 HydrophobicContact CE3-CB 4.11Å; W230-F238 AromaticContact CE3-CD2 3.87Å; W230-F238 HydrophobicContact CE3-CD2 3.87Å; W230-F238 HydrophobicContact CE3-CG 4.16Å; W230-F238 HydrophobicContact CZ3-CD2 4.13Å; W230-F238 HydrophobicContact CZ3-CG 4.45Å; W230-F238 PolarHBondContact O-N 2.95Å; W230-V239 HydrophobicContact CB-CG2 3.75Å; W230-I266 HydrophobicContact CD2-CD1 3.7Å; W230-I266 HydrophobicContact CD2-CG1 4.44Å; W230-I266 HydrophobicContact CE3-CD1 3.55Å; W230-I266 HydrophobicContact CE3-CG1 3.78Å; W230-I266 HydrophobicContact CG-CD1 4.48Å; W230-I266 HydrophobicContact CH2-CD1 3.72Å; W230-I266 HydrophobicContact CH2-CG1 4.03Å; W230-I266 HydrophobicContact CH2-CG2 3.96Å; W230-I266 HydrophobicContact CZ2-CD1 3.87Å; W230-I266 HydrophobicContact CZ3-CB 4.49Å; W230-I266 HydrophobicContact CZ3-CD1 3.57Å; W230-I266 HydrophobicContact CZ3-CG1 3.55Å; W230-I266 HydrophobicContact CZ3-CG2 4.14Å; W230-L356 WeakPolarHBondContact CZ2-O 3.41Å; W230-L356 PolarHBondContact NE1-O 3.35Å; W230-P361 HydrophobicContact CB-CG 3.97Å; W230-P361 VanDerWaalsContact CD1-CD 3.5Å; W230-P361 HydrophobicContact CG-CG 3.84Å; W230-V402 VanDerWaalsContact CD1-O 3.26Å; W230-V402 PolarHBondContact N-O 3.48Å
231	R	98.8	Very high	96.9	Very high	79 Å²	79	58.8 Å²	58.8	30%	0.298	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.6	171.7	-54.4	173.3	-62	170.6	8.9	112.8	D229 N237 V239 Y430	D229-R231 PolarHBondContact O-N 2.91Å; D229-R231 WeakPolarHBondContact OD1-CB 3.05Å; D229-R231 VanDerWaalsContact OD1-CG 3.24Å; D229-R231 WeakPolarHBondContact OD1-CG 3.47Å; D229-R231 IonicContact OD1-CZ 2.66Å; D229-R231 PolarHBondContact OD1-N 2.92Å; D229-R231 IonicContact OD1-NE 2.84Å; D229-R231 PolarHBondContact OD1-NE 2.92Å; D229-R231 IonicContact OD1-NH2 3.68Å; D229-R231 IonicContact OD2-CZ 3.66Å; D229-R231 VanDerWaalsContact OD2-CZ 3.28Å; D229-R231 IonicContact OD2-NE 3.39Å; D229-R231 PolarHBondContact OD2-NE 3.1Å; D229-R231 IonicContact OD2-NH2 3.08Å; D229-R231 PolarHBondContact OD2-NH2 3.1Å; R231-N237 WeakPolarHBondContact CA-OD1 3.48Å; R231-N237 WeakPolarHBondContact O-CA 3.13Å; R231-N237 WeakPolarHBondContact O-CB 3.36Å; R231-V239 HydrophobicContact CG-CB 4.15Å; R231-V239 HydrophobicContact CG-CG2 3.84Å; R231-Y430 HydrophobicContact CG-CE1 4.4Å; R231-Y430 VanDerWaalsContact NH1-CG 3.35Å
232	N	98.4	Very high	97.4	Very high	100 Å²	100	59.6 Å²	59.6	54%	0.535	35%	0.353	S	S	.	.			trans	-152.5	77.9	-178.2	-175.3	9.3	0	0	0	110.5	D229 W230 G235 V236	D229-N232 CarbonylContact O-C 3.18Å; D229-N232 PolarHBondContact O-N 3.05Å; W230-N232 VanDerWaalsContact C-N 3.3Å; N232-G235 WeakPolarHBondContact OD1-CA 3.27Å; N232-G235 PolarHBondContact OD1-N 3.12Å; N232-V236 WeakPolarHBondContact CA-O 3.4Å
233	V	98.2	Very high	97.8	Very high	28 Å²	28	58.4 Å²	58.4	17%	0.17	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-96.6	103.4	166.9	-176.3	0	0	0	0	106.7	W228 W230 G235 V236 F238	W228-V233 HydrophobicContact CH2-CG1 4.23Å; W228-V233 HydrophobicContact CZ2-CG2 4.16Å; W230-V233 HydrophobicContact CD2-CG2 4.35Å; W230-V233 HydrophobicContact CE3-CG2 3.7Å; W230-V233 HydrophobicContact CZ3-CG2 4.05Å; V233-G235 VanDerWaalsContact C-N 3.26Å; V233-G235 PolarHBondContact O-N 2.77Å; V233-V236 PolarHBondContact N-O 3.02Å; V233-V236 WeakPolarHBondContact O-CB 3.31Å; V233-V236 PolarHBondContact O-N 2.88Å; V233-F238 HydrophobicContact CB-CD2 4.41Å; V233-F238 HydrophobicContact CB-CE2 4.14Å; V233-F238 HydrophobicContact CG2-CD2 4.35Å
234	D	96.5	Very high	98	Very high	166 Å²	166	57.1 Å²	57.1	89%	0.888	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.2	-177.3	-58.7	-39.9	0	0	0	114.1
235	G	97.7	Very high	98.1	Very high	65 Å²	65	55.7 Å²	55.7	67%	0.67	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-0.9	-179.2	0	0	0	0	0	114.9	N232 V233	N232-G235 WeakPolarHBondContact OD1-CA 3.27Å; N232-G235 PolarHBondContact OD1-N 3.12Å; V233-G235 VanDerWaalsContact C-N 3.26Å; V233-G235 PolarHBondContact O-N 2.77Å
236	V	98.5	Very high	98.1	Very high	59 Å²	59	53.5 Å²	53.5	36%	0.358	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-106.9	131	-176.9	-172.8	0	0	0	0	111.1	N232 V233 F238 N270	N232-V236 WeakPolarHBondContact CA-O 3.4Å; V233-V236 PolarHBondContact N-O 3.02Å; V233-V236 WeakPolarHBondContact O-CB 3.31Å; V233-V236 PolarHBondContact O-N 2.88Å; V236-F238 HydrophobicContact CB-CE2 3.84Å; V236-F238 HydrophobicContact CB-CZ 4.25Å; V236-F238 HydrophobicContact CG1-CD2 4.2Å; V236-F238 HydrophobicContact CG1-CE1 4.25Å; V236-F238 HydrophobicContact CG1-CE2 3.56Å; V236-F238 HydrophobicContact CG1-CZ 3.6Å; V236-N270 VanDerWaalsContact CG1-ND2 3.3Å; V236-N270 WeakPolarHBondContact CG1-ND2 3.3Å
237	N	98.7	Very high	98.1	Very high	75 Å²	75	50 Å²	50	40%	0.401	28%	0.279	S	S	.	.			trans	-94.6	129.6	173.6	174.4	33.5	0	0	0	110.8	R231 V239 N270	R231-N237 WeakPolarHBondContact CA-OD1 3.48Å; R231-N237 WeakPolarHBondContact O-CA 3.13Å; R231-N237 WeakPolarHBondContact O-CB 3.36Å; N237-V239 PolarHBondContact ND2-O 3.45Å; N237-V239 PolarHBondContact OD1-N 3.43Å; N237-V239 PolarHBondContact OD1-O 3.36Å; N237-N270 PolarHBondContact O-ND2 2.87Å; N237-N270 PolarHBondContact O-OD1 2.93Å
238	F	98.8	Very high	98	Very high	16 Å²	16	47 Å²	47	7%	0.07	27%	0.265	C	S	.	.			trans	-112.9	0.3	174.6	-66.7	-84	0	0	0	113.5	W230 V233 V236 A262 R265 I266 N270	W230-F238 HydrophobicContact CE3-CB 4.11Å; W230-F238 AromaticContact CE3-CD2 3.87Å; W230-F238 HydrophobicContact CE3-CD2 3.87Å; W230-F238 HydrophobicContact CE3-CG 4.16Å; W230-F238 HydrophobicContact CZ3-CD2 4.13Å; W230-F238 HydrophobicContact CZ3-CG 4.45Å; W230-F238 PolarHBondContact O-N 2.95Å; V233-F238 HydrophobicContact CB-CD2 4.41Å; V233-F238 HydrophobicContact CB-CE2 4.14Å; V233-F238 HydrophobicContact CG2-CD2 4.35Å; V236-F238 HydrophobicContact CB-CE2 3.84Å; V236-F238 HydrophobicContact CB-CZ 4.25Å; V236-F238 HydrophobicContact CG1-CD2 4.2Å; V236-F238 HydrophobicContact CG1-CE1 4.25Å; V236-F238 HydrophobicContact CG1-CE2 3.56Å; V236-F238 HydrophobicContact CG1-CZ 3.6Å; F238-A262 VanDerWaalsContact O-CA 3.28Å; F238-A262 WeakPolarHBondContact O-CA 3.44Å; F238-A262 WeakPolarHBondContact O-CB 3.42Å; F238-R265 HydrophobicContact CB-CB 4.45Å; F238-R265 HydrophobicContact CD1-CB 4.15Å; F238-R265 WeakPolarHBondContact O-CD 3.41Å; F238-I266 HydrophobicContact CB-CD1 4.48Å; F238-I266 HydrophobicContact CB-CG1 3.8Å; F238-I266 HydrophobicContact CD1-CG1 3.93Å; F238-I266 HydrophobicContact CG-CG1 3.92Å; F238-N270 WeakPolarHBondContact CD1-ND2 3.41Å; F238-N270 VanDerWaalsContact CE1-ND2 3.26Å; F238-N270 WeakPolarHBondContact CE1-ND2 3.3Å
239	V	98.9	Very high	97.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	26%	0.256	C	S	.	.	S	Bend	trans	-96.9	133	-177.9	-172.3	0	0	0	0	110.2	W230 R231 N237 P361 V402 K418	W230-V239 HydrophobicContact CB-CG2 3.75Å; R231-V239 HydrophobicContact CG-CB 4.15Å; R231-V239 HydrophobicContact CG-CG2 3.84Å; N237-V239 PolarHBondContact ND2-O 3.45Å; N237-V239 PolarHBondContact OD1-N 3.43Å; N237-V239 PolarHBondContact OD1-O 3.36Å; V239-P361 HydrophobicContact CG2-CG 4.47Å; V239-V402 HydrophobicContact CG1-CG1 4.1Å; V239-V402 HydrophobicContact CG2-CB 4.23Å; V239-V402 HydrophobicContact CG2-CG1 4.04Å; V239-K418 HydrophobicContact CG1-CD 3.78Å
240	S	98.6	Very high	97.8	Very high	3 Å²	3	43 Å²	43	2%	0.021	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-64.2	162.2	174.8	64.3	0	0	0	0	112.1	E261 K418	S240-E261 WeakPolarHBondContact CB-OE2 3.45Å; S240-E261 PolarHBondContact OG-OE2 3.03Å; S240-K418 WeakPolarHBondContact O-CE 3.45Å; S240-K418 PolarHBondContact O-NZ 2.9Å; S240-K418 PolarHBondContact OG-NZ 3.34Å
241	P	98.6	Very high	97.8	Very high	89 Å²	89	42.5 Å²	42.5	58%	0.578	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-56	151.2	176.9	-26.2	35.9	0	0	0	113.5	K418	P241-K418 WeakPolarHBondContact O-CE 3.49Å; P241-K418 PolarHBondContact O-NZ 3.06Å
242	V	98.8	Very high	97.8	Very high	28 Å²	28	38.8 Å²	38.8	17%	0.17	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-65.6	139.4	170.3	174.4	0	0	0	0	109.6	K418 A423 Y430	V242-K418 HydrophobicContact CG2-CG 4.13Å; V242-A423 HydrophobicContact CB-CB 4.42Å; V242-Y430 HydrophobicContact CG2-CD2 4.1Å; V242-Y430 HydrophobicContact CG2-CE2 3.48Å; V242-Y430 VanDerWaalsContact CG2-CE2 3.48Å
243	R	98.6	Very high	97.8	Very high	62 Å²	62	34 Å²	34	23%	0.234	21%	0.207	C	C	.	.			trans	-121.6	175.7	176.8	-60.8	-167.4	69	-172.6	0.3	111.2	F254 E311 S420 G422	R243-F254 HydrophobicContact CB-CD1 3.91Å; R243-F254 HydrophobicContact CB-CE1 3.54Å; R243-F254 HydrophobicContact CG-CE1 4.39Å; R243-E311 IonicContact CZ-OE1 2.77Å; R243-E311 IonicContact CZ-OE2 3.63Å; R243-E311 IonicContact NH1-OE1 2.74Å; R243-E311 IonicContact NH1-OE2 3.99Å; R243-E311 PolarHBondContact NH1-OE2 2.82Å; R243-E311 IonicContact NH2-OE1 3.54Å; R243-E311 PolarHBondContact NH2-OE1 3.1Å; R243-E311 IonicContact NH2-OE2 2.67Å; R243-E311 PolarHBondContact NH2-OE2 3.49Å; R243-S420 CarbonylContact O-C 3.53Å; R243-S420 WeakPolarHBondContact O-CA 3.43Å; R243-G422 WeakPolarHBondContact O-CA 3.35Å; R243-G422 PolarHBondContact O-N 3.19Å
244	N	98.1	Very high	97.8	Very high	61 Å²	61	33.5 Å²	33.5	33%	0.326	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-127.2	118.3	-178.6	-168.6	-21.5	0	0	0	110.3	R196 G246 S420	R196-N244 PolarHBondContact NH1-OD1 2.89Å; R196-N244 PolarHBondContact NH2-OD1 3.47Å; N244-G246 PolarHBondContact O-N 2.86Å; N244-G246 PolarHBondContact OD1-N 3.35Å; N244-S420 CarbonylContact C-O 3.53Å; N244-S420 VanDerWaalsContact CA-O 3.29Å; N244-S420 WeakPolarHBondContact CA-O 3.48Å
245	Q	97.7	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.162	C	C	.	.			trans	-77.6	-4.4	178.6	74.9	-178.4	74.5	0	0	113.9	R196 C248 F254 Y316 S420	R196-Q245 HydrophobicContact CG-CG 4.41Å; R196-Q245 PolarHBondContact O-NE2 2.84Å; Q245-C248 PolarHBondContact NE2-O 2.81Å; Q245-C248 PolarHBondContact O-N 2.7Å; Q245-F254 HydrophobicContact CB-CD2 3.67Å; Q245-F254 HydrophobicContact CB-CE2 3.49Å; Q245-F254 VanDerWaalsContact CB-CE2 3.49Å; Q245-F254 HydrophobicContact CB-CG 4.49Å; Q245-F254 HydrophobicContact CB-CZ 4.19Å; Q245-Y316 PolarHBondContact O-OH 3.47Å; Q245-S420 PolarHBondContact N-O 3.06Å; Q245-S420 PolarHBondContact OE1-OG 3.36Å
246	G	96.6	Very high	98	Very high	12 Å²	12	22.7 Å²	22.7	12%	0.124	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	-141.1	-175.7	0	0	0	0	0	113	R196 N244	R196-G246 WeakPolarHBondContact CG-O 3.32Å; R196-G246 PolarHBondContact NH1-O 2.82Å; N244-G246 PolarHBondContact O-N 2.86Å; N244-G246 PolarHBondContact OD1-N 3.35Å
247	S	94.4	Very high	98	Very high	37 Å²	37	20 Å²	20	26%	0.259	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.9	179.6	48.7	0	0	0	0	114.2	Y195	Y195-S247 WeakPolarHBondContact CB-O 3.45Å
248	C	95.8	Very high	98	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.034	10%	0.097	C	C	.	.	S	Bend	trans	-77	132.5	179.5	176.8	0	0	0	0	110.8	Q245 S250 C291 Y316 A318	Q245-C248 PolarHBondContact NE2-O 2.81Å; Q245-C248 PolarHBondContact O-N 2.7Å; C248-S250 PolarHBondContact O-N 2.87Å; C248-C291 HydrophobicContact CB-CB 3.93Å; C248-C291 WeakPolarHBondContact CB-SG 3.27Å; C248-C291 WeakPolarHBondContact SG-CA 3.3Å; C248-C291 WeakPolarHBondContact SG-CB 3.48Å; C248-C291 CovalentContact SG-SG 2.04Å; C248-C291 PolarHBondContact SG-SG 3.11Å; C248-Y316 WeakPolarHBondContact CB-OH 3.3Å; C248-A318 HydrophobicContact CB-CB 4.48Å; C248-A318 WeakPolarHBondContact CB-O 3.33Å
249	G	95.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.093	C	C	.	.			trans	-74.4	57	174.9	0	0	0	0	0	113.4	Y195 Y252 C291	Y195-G249 WeakPolarHBondContact O-CA 3.34Å; G249-Y252 WeakPolarHBondContact O-CE1 3.43Å; G249-C291 WeakPolarHBondContact CA-O 3.16Å; G249-C291 PolarHBondContact N-O 2.91Å
250	S	97.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.			trans	-108	21.6	-175.4	57.1	0	0	0	0	113.5	C248 Y252 S253 F254 Y316	C248-S250 PolarHBondContact O-N 2.87Å; S250-Y252 PolarHBondContact O-N 3.04Å; S250-S253 WeakPolarHBondContact O-CA 3.48Å; S250-S253 WeakPolarHBondContact O-CB 3.42Å; S250-S253 PolarHBondContact O-N 3.47Å; S250-F254 WeakPolarHBondContact O-CD2 3.45Å; S250-F254 PolarHBondContact O-N 3.31Å; S250-F254 VanDerWaalsContact O-N 3.12Å; S250-Y316 PolarHBondContact OG-OH 3.41Å
251	C	98.3	Very high	98	Very high	7 Å²	7	15.9 Å²	15.9	5%	0.047	9%	0.093	C	C	.	.	H	α-helix	trans	-49.8	-42	177.4	55.6	0	0	0	0	112.2	S253 F254 A255 H397 A398	C251-S253 VanDerWaalsContact C-N 3.28Å; C251-S253 PolarHBondContact O-N 2.8Å; C251-F254 PolarHBondContact O-N 2.97Å; C251-A255 VanDerWaalsContact O-CB 3.32Å; C251-A255 WeakPolarHBondContact O-CB 3.36Å; C251-A255 PolarHBondContact O-N 2.92Å; C251-H397 WeakPolarHBondContact CB-CE1 3.38Å; C251-H397 WeakPolarHBondContact CB-ND1 3.31Å; C251-A398 HydrophobicContact CB-CB 4.31Å; C251-A398 WeakPolarHBondContact CB-O 3.46Å
252	Y	98.3	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-37.6	176.5	70.6	-88.2	0	0	0	113.3	G249 S250 T256 V281 A288 G290 G293 G294 I299	G249-Y252 WeakPolarHBondContact O-CE1 3.43Å; S250-Y252 PolarHBondContact O-N 3.04Å; Y252-T256 WeakPolarHBondContact O-CB 3.03Å; Y252-T256 PolarHBondContact O-N 3.11Å; Y252-T256 PolarHBondContact O-OG1 3.42Å; Y252-V281 HydrophobicContact CD2-CG1 4.48Å; Y252-V281 HydrophobicContact CE2-CG1 3.64Å; Y252-A288 HydrophobicContact CE2-CB 3.64Å; Y252-G290 VanDerWaalsContact CE1-O 3.31Å; Y252-G290 WeakPolarHBondContact CE1-O 3.3Å; Y252-G290 PolarHBondContact OH-O 2.8Å; Y252-G293 WeakPolarHBondContact CE1-O 3.35Å; Y252-G294 VanDerWaalsContact CB-C 3.49Å; Y252-G294 WeakPolarHBondContact CB-O 3.4Å; Y252-G294 VanDerWaalsContact CG-C 3.47Å; Y252-I299 HydrophobicContact CD2-CD1 3.92Å; Y252-I299 HydrophobicContact CD2-CG1 3.59Å; Y252-I299 HydrophobicContact CE2-CD1 3.82Å; Y252-I299 HydrophobicContact CE2-CG1 3.98Å
253	S	98.7	Very high	98	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-71.7	-49.3	178.2	-171.6	0	0	0	0	109.9	S250 C251 A255 T256 M257 P278 V281	S250-S253 WeakPolarHBondContact O-CA 3.48Å; S250-S253 WeakPolarHBondContact O-CB 3.42Å; S250-S253 PolarHBondContact O-N 3.47Å; C251-S253 VanDerWaalsContact C-N 3.28Å; C251-S253 PolarHBondContact O-N 2.8Å; S253-A255 PolarHBondContact O-N 2.84Å; S253-T256 PolarHBondContact O-N 3.32Å; S253-M257 VanDerWaalsContact O-CG 3.28Å; S253-M257 WeakPolarHBondContact O-CG 3.4Å; S253-M257 PolarHBondContact O-N 3.37Å; S253-P278 WeakPolarHBondContact OG-CA 3Å; S253-P278 VanDerWaalsContact OG-CB 3.27Å; S253-P278 WeakPolarHBondContact OG-CB 3.36Å; S253-P278 PolarHBondContact OG-O 3.33Å; S253-V281 WeakPolarHBondContact OG-CB 3.29Å
254	F	98.9	Very high	98.1	Very high	18 Å²	18	7.9 Å²	7.9	8%	0.079	5%	0.049	C	C	.	.	H	α-helix	trans	-62.1	-41.9	177.3	-81.2	-90.4	0	0	0	113.4	R243 Q245 S250 C251 T256 M257 G258 P278 Y316	R243-F254 HydrophobicContact CB-CD1 3.91Å; R243-F254 HydrophobicContact CB-CE1 3.54Å; R243-F254 HydrophobicContact CG-CE1 4.39Å; Q245-F254 HydrophobicContact CB-CD2 3.67Å; Q245-F254 HydrophobicContact CB-CE2 3.49Å; Q245-F254 VanDerWaalsContact CB-CE2 3.49Å; Q245-F254 HydrophobicContact CB-CG 4.49Å; Q245-F254 HydrophobicContact CB-CZ 4.19Å; S250-F254 WeakPolarHBondContact O-CD2 3.45Å; S250-F254 PolarHBondContact O-N 3.31Å; S250-F254 VanDerWaalsContact O-N 3.12Å; C251-F254 PolarHBondContact O-N 2.97Å; F254-T256 VanDerWaalsContact C-N 3.31Å; F254-T256 PolarHBondContact O-N 3.26Å; F254-M257 PolarHBondContact O-N 3.14Å; F254-G258 PolarHBondContact O-N 2.98Å; F254-P278 HydrophobicContact CD1-CG 4.12Å; F254-P278 HydrophobicContact CD2-CB 4.13Å; F254-P278 HydrophobicContact CD2-CG 4.4Å; F254-P278 HydrophobicContact CE1-CG 3.84Å; F254-P278 HydrophobicContact CE2-CB 3.94Å; F254-P278 HydrophobicContact CE2-CG 4.15Å; F254-P278 HydrophobicContact CG-CB 4.5Å; F254-P278 HydrophobicContact CG-CG 4.4Å; F254-P278 HydrophobicContact CZ-CB 4.16Å; F254-P278 HydrophobicContact CZ-CG 3.87Å; F254-Y316 HydrophobicContact CE2-CD1 4.33Å; F254-Y316 HydrophobicContact CE2-CD2 4.09Å; F254-Y316 AromaticContact CE2-CE1 3.82Å; F254-Y316 HydrophobicContact CE2-CE1 3.82Å; F254-Y316 AromaticContact CE2-CE2 3.55Å; F254-Y316 HydrophobicContact CE2-CE2 3.55Å; F254-Y316 HydrophobicContact CE2-CG 4.45Å; F254-Y316 AromaticContact CE2-CZ 3.4Å; F254-Y316 AromaticContact CZ-CD1 3.77Å; F254-Y316 HydrophobicContact CZ-CD1 3.77Å; F254-Y316 AromaticContact CZ-CD2 3.99Å; F254-Y316 HydrophobicContact CZ-CD2 3.99Å; F254-Y316 AromaticContact CZ-CE1 3.65Å; F254-Y316 HydrophobicContact CZ-CE1 3.65Å; F254-Y316 AromaticContact CZ-CE2 3.88Å; F254-Y316 HydrophobicContact CZ-CE2 3.88Å; F254-Y316 AromaticContact CZ-CG 3.94Å; F254-Y316 HydrophobicContact CZ-CG 3.94Å; F254-Y316 AromaticContact CZ-CZ 3.71Å
255	A	98.9	Very high	98.1	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.025	4%	0.038	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176.4	0	0	0	0	0	110.9	C251 S253 M259 A363 A398	C251-A255 VanDerWaalsContact O-CB 3.32Å; C251-A255 WeakPolarHBondContact O-CB 3.36Å; C251-A255 PolarHBondContact O-N 2.92Å; S253-A255 PolarHBondContact O-N 2.84Å; A255-M259 WeakPolarHBondContact O-CB 3.46Å; A255-M259 PolarHBondContact O-N 3.25Å; A255-A363 HydrophobicContact CB-CB 4.14Å; A255-A398 HydrophobicContact CB-CB 4.07Å
256	T	98.9	Very high	98.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.7	-46.1	178.4	-50.6	0	0	0	0	111.9	Y252 S253 F254 G258 M259 L260 P296 I299	Y252-T256 WeakPolarHBondContact O-CB 3.03Å; Y252-T256 PolarHBondContact O-N 3.11Å; Y252-T256 PolarHBondContact O-OG1 3.42Å; S253-T256 PolarHBondContact O-N 3.32Å; F254-T256 VanDerWaalsContact C-N 3.31Å; F254-T256 PolarHBondContact O-N 3.26Å; T256-G258 VanDerWaalsContact C-N 3.35Å; T256-G258 PolarHBondContact O-N 3.44Å; T256-M259 HydrophobicContact CG2-CE 4Å; T256-M259 WeakPolarHBondContact O-CB 3.06Å; T256-M259 PolarHBondContact O-N 3.4Å; T256-L260 HydrophobicContact CG2-CD1 4.23Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 WeakPolarHBondContact O-CG 3.32Å; T256-L260 PolarHBondContact O-N 2.94Å; T256-P296 WeakPolarHBondContact OG1-CA 3.45Å; T256-P296 WeakPolarHBondContact OG1-CB 3.48Å; T256-I299 HydrophobicContact CG2-CB 3.85Å; T256-I299 HydrophobicContact CG2-CG2 3.56Å
257	M	98.9	Very high	98.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-47.1	177.9	-65.2	-47.3	94.5	0	0	110.5	S253 F254 M259 L260 E261 L276 P278 V281 I299 V303 I308	S253-M257 VanDerWaalsContact O-CG 3.28Å; S253-M257 WeakPolarHBondContact O-CG 3.4Å; S253-M257 PolarHBondContact O-N 3.37Å; F254-M257 PolarHBondContact O-N 3.14Å; M257-M259 VanDerWaalsContact C-N 3.3Å; M257-M259 PolarHBondContact O-N 3.23Å; M257-L260 HydrophobicContact CE-CD1 4.37Å; M257-L260 PolarHBondContact O-N 3.23Å; M257-E261 WeakPolarHBondContact O-CB 3.18Å; M257-E261 WeakPolarHBondContact O-CG 3.38Å; M257-E261 PolarHBondContact O-N 3.2Å; M257-L276 HydrophobicContact CB-CB 4.21Å; M257-L276 HydrophobicContact CG-CB 4.13Å; M257-L276 HydrophobicContact SD-CB 3.48Å; M257-L276 WeakPolarHBondContact SD-CB 3.32Å; M257-L276 HydrophobicContact SD-CD1 4.15Å; M257-L276 HydrophobicContact SD-CG 4.48Å; M257-P278 HydrophobicContact CG-CB 4.22Å; M257-P278 HydrophobicContact CG-CG 4.02Å; M257-V281 HydrophobicContact CE-CG2 4.06Å; M257-I299 HydrophobicContact CE-CG2 3.87Å; M257-V303 HydrophobicContact CE-CG2 4.45Å; M257-I308 HydrophobicContact CE-CD1 4.26Å; M257-I308 HydrophobicContact CE-CG1 4.19Å; M257-I308 HydrophobicContact SD-CD1 3.89Å; M257-I308 HydrophobicContact SD-CG1 3.59Å; M257-I308 VanDerWaalsContact SD-CG1 3.59Å
258	G	98.9	Very high	98.4	Very high	5 Å²	5	11.7 Å²	11.7	5%	0.052	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-36.2	177.5	0	0	0	0	0	113.6	F254 T256 A262	F254-G258 PolarHBondContact O-N 2.98Å; T256-G258 VanDerWaalsContact C-N 3.35Å; T256-G258 PolarHBondContact O-N 3.44Å; G258-A262 WeakPolarHBondContact O-CB 3.17Å; G258-A262 PolarHBondContact O-N 3.02Å; G258-A262 VanDerWaalsContact O-N 3.12Å
259	M	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-51.5	173.4	170.5	177.9	64.1	0	0	110.9	A255 T256 M257 A262 R263 P361 A363 L400 V447 A449	A255-M259 WeakPolarHBondContact O-CB 3.46Å; A255-M259 PolarHBondContact O-N 3.25Å; T256-M259 HydrophobicContact CG2-CE 4Å; T256-M259 WeakPolarHBondContact O-CB 3.06Å; T256-M259 PolarHBondContact O-N 3.4Å; M257-M259 VanDerWaalsContact C-N 3.3Å; M257-M259 PolarHBondContact O-N 3.23Å; M259-A262 PolarHBondContact O-N 2.92Å; M259-R263 WeakPolarHBondContact O-CB 3.28Å; M259-R263 VanDerWaalsContact O-CG 3.28Å; M259-R263 WeakPolarHBondContact O-CG 3.33Å; M259-R263 PolarHBondContact O-N 3.02Å; M259-P361 WeakPolarHBondContact CG-O 3.49Å; M259-A363 HydrophobicContact SD-CB 4.45Å; M259-L400 VanDerWaalsContact CA-CD1 3.46Å; M259-L400 HydrophobicContact CB-CD1 3.6Å; M259-V447 VanDerWaalsContact SD-O 3.36Å; M259-A449 HydrophobicContact CE-CB 3.63Å; M259-A449 HydrophobicContact SD-CB 4.47Å; M259-A449 PolarHBondContact SD-N 3.34Å
260	L	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-43.6	-177.2	-62.2	179.1	0	0	0	111.7	T256 M257 A262 R263 V264 L276 V303 M332 T334 A449 P451	T256-L260 HydrophobicContact CG2-CD1 4.23Å; T256-L260 HydrophobicContact CG2-CG 4.41Å; T256-L260 WeakPolarHBondContact O-CG 3.32Å; T256-L260 PolarHBondContact O-N 2.94Å; M257-L260 HydrophobicContact CE-CD1 4.37Å; M257-L260 PolarHBondContact O-N 3.23Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.66Å; L260-R263 PolarHBondContact O-N 2.84Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 2.69Å; L260-L276 HydrophobicContact CB-CD1 3.66Å; L260-L276 HydrophobicContact CD1-CD1 4.24Å; L260-V303 HydrophobicContact CD1-CB 4.43Å; L260-V303 HydrophobicContact CD1-CG1 4.04Å; L260-V303 HydrophobicContact CD1-CG2 3.97Å; L260-M332 HydrophobicContact CB-CE 3.95Å; L260-M332 HydrophobicContact CD1-CE 4Å; L260-T334 HydrophobicContact CD1-CG2 4.16Å; L260-T334 HydrophobicContact CD2-CG2 3.51Å; L260-A449 HydrophobicContact CD2-CB 3.96Å; L260-P451 HydrophobicContact CD2-CB 4.14Å; L260-P451 HydrophobicContact CD2-CG 4.41Å
261	E	98.9	Very high	98.6	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-56.7	-46.3	176.1	-70.8	166.3	174.2	0	0	111.8	S240 M257 R265 P274 V275 L276	S240-E261 WeakPolarHBondContact CB-OE2 3.45Å; S240-E261 PolarHBondContact OG-OE2 3.03Å; M257-E261 WeakPolarHBondContact O-CB 3.18Å; M257-E261 WeakPolarHBondContact O-CG 3.38Å; M257-E261 PolarHBondContact O-N 3.2Å; E261-R265 WeakPolarHBondContact O-CG 3.46Å; E261-R265 PolarHBondContact O-N 3.47Å; E261-P274 WeakPolarHBondContact CG-O 3.16Å; E261-V275 WeakPolarHBondContact OE1-CA 3.43Å; E261-L276 HydrophobicContact CG-CB 4.38Å; E261-L276 HydrophobicContact CG-CD1 3.99Å; E261-L276 HydrophobicContact CG-CG 3.85Å; E261-L276 PolarHBondContact OE1-N 3.44Å
262	A	98.9	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-40.2	179	0	0	0	0	0	111.9	F238 G258 M259 L260 R265 I266 P361	F238-A262 VanDerWaalsContact O-CA 3.28Å; F238-A262 WeakPolarHBondContact O-CA 3.44Å; F238-A262 WeakPolarHBondContact O-CB 3.42Å; G258-A262 WeakPolarHBondContact O-CB 3.17Å; G258-A262 PolarHBondContact O-N 3.02Å; G258-A262 VanDerWaalsContact O-N 3.12Å; M259-A262 PolarHBondContact O-N 2.92Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.66Å; A262-R265 WeakPolarHBondContact O-CB 3.35Å; A262-R265 PolarHBondContact O-N 2.93Å; A262-I266 VanDerWaalsContact O-CG1 3.25Å; A262-I266 WeakPolarHBondContact O-CG1 3.21Å; A262-I266 PolarHBondContact O-N 2.82Å; A262-P361 HydrophobicContact CB-CB 4.16Å; A262-P361 HydrophobicContact CB-CG 3.7Å
263	R	98.9	Very high	98.6	Very high	11 Å²	11	29.2 Å²	29.2	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-35	178	-72.5	-179.7	179.8	-125	-10.1	112.8	M259 L260 I266 L267 E355 N359 G360 P361 A449 P451	M259-R263 WeakPolarHBondContact O-CB 3.28Å; M259-R263 VanDerWaalsContact O-CG 3.28Å; M259-R263 WeakPolarHBondContact O-CG 3.33Å; M259-R263 PolarHBondContact O-N 3.02Å; L260-R263 PolarHBondContact O-N 2.84Å; R263-I266 PolarHBondContact O-N 2.95Å; R263-L267 WeakPolarHBondContact O-CB 3.42Å; R263-L267 VanDerWaalsContact O-CG 3.24Å; R263-L267 WeakPolarHBondContact O-CG 3.33Å; R263-L267 PolarHBondContact O-N 3.11Å; R263-E355 IonicContact CZ-OE1 3.69Å; R263-E355 VanDerWaalsContact CZ-OE1 3.24Å; R263-E355 IonicContact NH1-OE1 2.58Å; R263-E355 PolarHBondContact NH1-OE1 2.87Å; R263-E355 IonicContact NH2-OE1 2.77Å; R263-E355 PolarHBondContact NH2-OE1 3.24Å; R263-N359 PolarHBondContact NE-O 3Å; R263-G360 PolarHBondContact NH2-O 2.81Å; R263-G360 VanDerWaalsContact NH2-O 3.12Å; R263-P361 PolarHBondContact NE-O 2.99Å; R263-P361 PolarHBondContact NH2-O 2.84Å; R263-P361 VanDerWaalsContact NH2-O 3.09Å; R263-A449 WeakPolarHBondContact CD-O 3.42Å; R263-A449 PolarHBondContact NH1-O 3Å; R263-P451 HydrophobicContact CB-CG 3.66Å
264	V	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-47.5	170.8	170.3	0	0	0	0	110.5	L260 I266 L267 T268 D272 P274 M332 P451 P453	L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 2.69Å; V264-I266 VanDerWaalsContact C-N 3.28Å; V264-I266 PolarHBondContact O-N 2.86Å; V264-L267 PolarHBondContact O-N 3.18Å; V264-T268 HydrophobicContact CG1-CG2 4.29Å; V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.31Å; V264-T268 PolarHBondContact O-N 3.07Å; V264-T268 PolarHBondContact O-OG1 3.07Å; V264-D272 HydrophobicContact CG1-CB 3.86Å; V264-P274 HydrophobicContact CB-CG 4.06Å; V264-P274 HydrophobicContact CG1-CG 3.81Å; V264-P274 HydrophobicContact CG2-CG 4.26Å; V264-M332 HydrophobicContact CG2-SD 3.57Å; V264-M332 VanDerWaalsContact CG2-SD 3.57Å; V264-P451 HydrophobicContact CG2-CB 3.68Å; V264-P451 HydrophobicContact CG2-CG 3.7Å; V264-P453 HydrophobicContact CG1-CB 4.36Å
265	R	98.8	Very high	98.5	Very high	29 Å²	29	31.6 Å²	31.6	11%	0.109	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-40.4	176.9	-72	168.6	-172.2	-129.3	1	112	F238 E261 A262 N269 N270 D272	F238-R265 HydrophobicContact CB-CB 4.45Å; F238-R265 HydrophobicContact CD1-CB 4.15Å; F238-R265 WeakPolarHBondContact O-CD 3.41Å; E261-R265 WeakPolarHBondContact O-CG 3.46Å; E261-R265 PolarHBondContact O-N 3.47Å; A262-R265 WeakPolarHBondContact O-CB 3.35Å; A262-R265 PolarHBondContact O-N 2.93Å; R265-N269 CarbonylContact O-C 3.17Å; R265-N269 WeakPolarHBondContact O-CA 3.18Å; R265-N269 PolarHBondContact O-N 2.99Å; R265-N270 WeakPolarHBondContact CB-OD1 3.35Å; R265-N270 PolarHBondContact O-N 3.49Å; R265-D272 WeakPolarHBondContact CG-O 3.34Å
266	I	98.8	Very high	98.5	Very high	39 Å²	39	31.4 Å²	31.4	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-51.1	176.8	-67.3	163.8	0	0	0	110.8	W230 F238 A262 R263 V264 T268 N269 G360	W230-I266 HydrophobicContact CD2-CD1 3.7Å; W230-I266 HydrophobicContact CD2-CG1 4.44Å; W230-I266 HydrophobicContact CE3-CD1 3.55Å; W230-I266 HydrophobicContact CE3-CG1 3.78Å; W230-I266 HydrophobicContact CG-CD1 4.48Å; W230-I266 HydrophobicContact CH2-CD1 3.72Å; W230-I266 HydrophobicContact CH2-CG1 4.03Å; W230-I266 HydrophobicContact CH2-CG2 3.96Å; W230-I266 HydrophobicContact CZ2-CD1 3.87Å; W230-I266 HydrophobicContact CZ3-CB 4.49Å; W230-I266 HydrophobicContact CZ3-CD1 3.57Å; W230-I266 HydrophobicContact CZ3-CG1 3.55Å; W230-I266 HydrophobicContact CZ3-CG2 4.14Å; F238-I266 HydrophobicContact CB-CD1 4.48Å; F238-I266 HydrophobicContact CB-CG1 3.8Å; F238-I266 HydrophobicContact CD1-CG1 3.93Å; F238-I266 HydrophobicContact CG-CG1 3.92Å; A262-I266 VanDerWaalsContact O-CG1 3.25Å; A262-I266 WeakPolarHBondContact O-CG1 3.21Å; A262-I266 PolarHBondContact O-N 2.82Å; R263-I266 PolarHBondContact O-N 2.95Å; V264-I266 VanDerWaalsContact C-N 3.28Å; V264-I266 PolarHBondContact O-N 2.86Å; I266-T268 PolarHBondContact O-N 3.11Å; I266-N269 PolarHBondContact O-N 3.45Å; I266-G360 VanDerWaalsContact CD1-CA 3.49Å
267	L	98.4	Very high	98.4	Very high	95 Å²	95	31.4 Å²	31.4	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-62.3	-31.6	-177.7	-72.8	170.7	0	0	0	113.1	R263 V264 P451 P453	R263-L267 WeakPolarHBondContact O-CB 3.42Å; R263-L267 VanDerWaalsContact O-CG 3.24Å; R263-L267 WeakPolarHBondContact O-CG 3.33Å; R263-L267 PolarHBondContact O-N 3.11Å; V264-L267 PolarHBondContact O-N 3.18Å; L267-P451 HydrophobicContact CD1-CG 4.12Å; L267-P453 HydrophobicContact CB-CG 3.98Å; L267-P453 HydrophobicContact CD1-CG 3.97Å
268	T	98.4	Very high	98.4	Very high	26 Å²	26	31.4 Å²	31.4	16%	0.16	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.7	-177	64.1	0	0	0	0	113.1	V264 I266 N270 S271 D272 P453	V264-T268 HydrophobicContact CG1-CG2 4.29Å; V264-T268 WeakPolarHBondContact O-CB 3.45Å; V264-T268 WeakPolarHBondContact O-CG2 3.31Å; V264-T268 PolarHBondContact O-N 3.07Å; V264-T268 PolarHBondContact O-OG1 3.07Å; I266-T268 PolarHBondContact O-N 3.11Å; T268-N270 VanDerWaalsContact C-N 3.27Å; T268-N270 PolarHBondContact O-N 2.94Å; T268-S271 WeakPolarHBondContact CB-OG 3.46Å; T268-S271 WeakPolarHBondContact O-CB 3.36Å; T268-S271 PolarHBondContact O-N 2.79Å; T268-S271 PolarHBondContact O-OG 3.04Å; T268-S271 VanDerWaalsContact O-OG 3.06Å; T268-D272 HydrophobicContact CG2-CB 3.94Å; T268-D272 PolarHBondContact OG1-N 3.17Å; T268-D272 VanDerWaalsContact OG1-N 3.16Å; T268-D272 PolarHBondContact OG1-O 2.04Å; T268-P453 HydrophobicContact CG2-CB 3.56Å; T268-P453 HydrophobicContact CG2-CG 3.85Å
269	N	98	Very high	98.4	Very high	123 Å²	123	31.1 Å²	31.1	66%	0.658	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	49	-172.7	-168.5	35.6	0	0	0	112.8	R265 I266 S271	R265-N269 CarbonylContact O-C 3.17Å; R265-N269 WeakPolarHBondContact O-CA 3.18Å; R265-N269 PolarHBondContact O-N 2.99Å; I266-N269 PolarHBondContact O-N 3.45Å; N269-S271 PolarHBondContact O-N 2.88Å
270	N	98.2	Very high	98.4	Very high	51 Å²	51	31.2 Å²	31.2	27%	0.273	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	10.5	-176.1	-72	-54.4	0	0	0	116.1	V236 N237 F238 R265 T268 D272	V236-N270 VanDerWaalsContact CG1-ND2 3.3Å; V236-N270 WeakPolarHBondContact CG1-ND2 3.3Å; N237-N270 PolarHBondContact O-ND2 2.87Å; N237-N270 PolarHBondContact O-OD1 2.93Å; F238-N270 WeakPolarHBondContact CD1-ND2 3.41Å; F238-N270 VanDerWaalsContact CE1-ND2 3.26Å; F238-N270 WeakPolarHBondContact CE1-ND2 3.3Å; R265-N270 WeakPolarHBondContact CB-OD1 3.35Å; R265-N270 PolarHBondContact O-N 3.49Å; T268-N270 VanDerWaalsContact C-N 3.27Å; T268-N270 PolarHBondContact O-N 2.94Å; N270-D272 PolarHBondContact O-N 3.2Å
271	S	97.8	Very high	98.4	Very high	109 Å²	109	31.2 Å²	31.2	76%	0.762	18%	0.18	S	C	*	.	S	Bend	trans	-69.6	-25.1	172.6	77	0	0	0	0	112.5	T268 N269	T268-S271 WeakPolarHBondContact CB-OG 3.46Å; T268-S271 WeakPolarHBondContact O-CB 3.36Å; T268-S271 PolarHBondContact O-N 2.79Å; T268-S271 PolarHBondContact O-OG 3.04Å; T268-S271 VanDerWaalsContact O-OG 3.06Å; N269-S271 PolarHBondContact O-N 2.88Å
272	D	97.4	Very high	98.4	Very high	33 Å²	33	31.3 Å²	31.3	18%	0.176	18%	0.181	C	C	.	.			trans	-118.8	135.3	167.6	-168.1	8.8	0	0	0	110.1	V264 R265 T268 N270 P274	V264-D272 HydrophobicContact CG1-CB 3.86Å; R265-D272 WeakPolarHBondContact CG-O 3.34Å; T268-D272 HydrophobicContact CG2-CB 3.94Å; T268-D272 PolarHBondContact OG1-N 3.17Å; T268-D272 VanDerWaalsContact OG1-N 3.16Å; T268-D272 PolarHBondContact OG1-O 2.04Å; N270-D272 PolarHBondContact O-N 3.2Å; D272-P274 WeakPolarHBondContact OD1-CD 3.38Å
273	S	97.4	Very high	98.3	Very high	65 Å²	65	32.4 Å²	32.4	46%	0.455	19%	0.188	S	C	.	.			trans	-140.4	61	-176.3	69.8	0	0	0	0	111.2
274	P	97.4	Very high	98.2	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.071	20%	0.195	C	C	.	.			trans	-66.1	159	-175.8	30.6	-35.2	0	0	0	110.8	E261 V264 D272 L276	E261-P274 WeakPolarHBondContact CG-O 3.16Å; V264-P274 HydrophobicContact CB-CG 4.06Å; V264-P274 HydrophobicContact CG1-CG 3.81Å; V264-P274 HydrophobicContact CG2-CG 4.26Å; D272-P274 WeakPolarHBondContact OD1-CD 3.38Å; P274-L276 HydrophobicContact CB-CD2 4.14Å
275	V	98.3	Very high	98.2	Very high	56 Å²	56	33.7 Å²	33.7	34%	0.339	20%	0.199	S	C	.	.			trans	-122.7	118.6	163.9	-176.7	0	0	0	0	105.1	E261 D310 E311	E261-V275 WeakPolarHBondContact OE1-CA 3.43Å; V275-D310 CarbonylContact O-C 3.59Å; V275-D310 VanDerWaalsContact O-CA 3.31Å; V275-D310 WeakPolarHBondContact O-CA 3.46Å; V275-E311 HydrophobicContact CB-CB 4.28Å; V275-E311 HydrophobicContact CG1-CB 3.84Å; V275-E311 HydrophobicContact CG1-CG 4.37Å; V275-E311 PolarHBondContact O-N 2.99Å
276	L	98.7	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-96.4	152.7	-170.7	-56.7	172.8	0	0	0	110.2	M257 L260 E261 P274 P278 I308 M332	M257-L276 HydrophobicContact CB-CB 4.21Å; M257-L276 HydrophobicContact CG-CB 4.13Å; M257-L276 HydrophobicContact SD-CB 3.48Å; M257-L276 WeakPolarHBondContact SD-CB 3.32Å; M257-L276 HydrophobicContact SD-CD1 4.15Å; M257-L276 HydrophobicContact SD-CG 4.48Å; L260-L276 HydrophobicContact CB-CD1 3.66Å; L260-L276 HydrophobicContact CD1-CD1 4.24Å; E261-L276 HydrophobicContact CG-CB 4.38Å; E261-L276 HydrophobicContact CG-CD1 3.99Å; E261-L276 HydrophobicContact CG-CG 3.85Å; E261-L276 PolarHBondContact OE1-N 3.44Å; P274-L276 HydrophobicContact CB-CD2 4.14Å; L276-P278 WeakPolarHBondContact O-CD 3.49Å; L276-I308 HydrophobicContact CB-CG1 4.28Å; L276-I308 HydrophobicContact CD1-CG2 4.16Å; L276-I308 HydrophobicContact CD2-CG2 4.13Å; L276-M332 HydrophobicContact CD1-CE 3.39Å; L276-M332 HydrophobicContact CD2-CE 3.94Å; L276-M332 HydrophobicContact CD2-SD 4.41Å; L276-M332 HydrophobicContact CG-CE 4.31Å
277	S	98.8	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.			trans	-82	108.1	-176.5	174.3	0	0	0	0	112.6	Q279 Q280 I308 V309 F314	S277-Q279 PolarHBondContact O-N 3.44Å; S277-Q279 PolarHBondContact OG-N 3.08Å; S277-Q280 PolarHBondContact OG-N 2.93Å; S277-I308 WeakPolarHBondContact O-CD1 3.32Å; S277-V309 PolarHBondContact N-O 3.22Å; S277-F314 WeakPolarHBondContact CB-O 3.21Å; S277-F314 PolarHBondContact OG-O 3.11Å
278	P	98.8	Very high	97.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-68.7	-22.6	170.3	-12.3	30.5	0	0	0	111.3	S253 F254 M257 L276 V281 V282 E311 Y316	S253-P278 WeakPolarHBondContact OG-CA 3Å; S253-P278 VanDerWaalsContact OG-CB 3.27Å; S253-P278 WeakPolarHBondContact OG-CB 3.36Å; S253-P278 PolarHBondContact OG-O 3.33Å; F254-P278 HydrophobicContact CD1-CG 4.12Å; F254-P278 HydrophobicContact CD2-CB 4.13Å; F254-P278 HydrophobicContact CD2-CG 4.4Å; F254-P278 HydrophobicContact CE1-CG 3.84Å; F254-P278 HydrophobicContact CE2-CB 3.94Å; F254-P278 HydrophobicContact CE2-CG 4.15Å; F254-P278 HydrophobicContact CG-CB 4.5Å; F254-P278 HydrophobicContact CG-CG 4.4Å; F254-P278 HydrophobicContact CZ-CB 4.16Å; F254-P278 HydrophobicContact CZ-CG 3.87Å; M257-P278 HydrophobicContact CG-CB 4.22Å; M257-P278 HydrophobicContact CG-CG 4.02Å; L276-P278 WeakPolarHBondContact O-CD 3.49Å; P278-V281 PolarHBondContact O-N 3.17Å; P278-V282 WeakPolarHBondContact O-CG2 3.26Å; P278-V282 PolarHBondContact O-N 3.18Å; P278-V282 VanDerWaalsContact O-N 3.1Å; P278-E311 WeakPolarHBondContact CD-OE2 3.24Å; P278-Y316 HydrophobicContact CB-CD2 4.04Å; P278-Y316 HydrophobicContact CB-CE2 4.29Å; P278-Y316 HydrophobicContact CG-CD2 4.4Å
279	Q	98.8	Very high	97.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-34.9	-178.1	-164.8	59.1	46.9	0	0	112.9	S277 V281 V282 S283 F314 P315 Y316 K319 T321	S277-Q279 PolarHBondContact O-N 3.44Å; S277-Q279 PolarHBondContact OG-N 3.08Å; Q279-V281 VanDerWaalsContact C-N 3.27Å; Q279-V281 PolarHBondContact O-N 2.94Å; Q279-V282 PolarHBondContact O-N 2.7Å; Q279-S283 PolarHBondContact NE2-OG 3.48Å; Q279-S283 VanDerWaalsContact O-CB 3.28Å; Q279-S283 WeakPolarHBondContact O-CB 3.45Å; Q279-S283 PolarHBondContact O-N 3.39Å; Q279-S283 PolarHBondContact O-OG 3.06Å; Q279-F314 HydrophobicContact CB-CD2 4.2Å; Q279-F314 HydrophobicContact CB-CE2 4.48Å; Q279-F314 HydrophobicContact CB-CG 4.3Å; Q279-F314 HydrophobicContact CG-CD2 3.81Å; Q279-F314 HydrophobicContact CG-CE1 4.42Å; Q279-F314 HydrophobicContact CG-CE2 3.63Å; Q279-F314 HydrophobicContact CG-CG 4.3Å; Q279-F314 HydrophobicContact CG-CZ 3.98Å; Q279-P315 WeakPolarHBondContact CG-O 3.35Å; Q279-Y316 HydrophobicContact CB-CD2 4.21Å; Q279-K319 PolarHBondContact NE2-O 3.42Å; Q279-T321 PolarHBondContact NE2-OG1 3.28Å
280	Q	98.5	Very high	97.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56	-49	172.4	176	-173.6	-18.4	0	0	109.3	S277 V282 S283 C284 Y302 G307 I308 V309 F314 V325 R331	S277-Q280 PolarHBondContact OG-N 2.93Å; Q280-V282 PolarHBondContact O-N 3.05Å; Q280-S283 PolarHBondContact O-N 3.49Å; Q280-C284 HydrophobicContact CG-CB 4.32Å; Q280-C284 WeakPolarHBondContact O-CA 3.38Å; Q280-C284 WeakPolarHBondContact O-CB 3.45Å; Q280-C284 PolarHBondContact O-N 2.94Å; Q280-Y302 HydrophobicContact CG-CE1 4.5Å; Q280-Y302 PolarHBondContact NE2-OH 3.1Å; Q280-G307 PolarHBondContact NE2-O 2.74Å; Q280-I308 HydrophobicContact CB-CD1 4.06Å; Q280-I308 HydrophobicContact CG-CD1 4.28Å; Q280-V309 HydrophobicContact CB-CG2 4.36Å; Q280-V309 VanDerWaalsContact OE1-CG2 3.24Å; Q280-F314 HydrophobicContact CB-CD1 4.09Å; Q280-V325 HydrophobicContact CB-CG2 4.3Å; Q280-V325 HydrophobicContact CG-CG2 3.81Å; Q280-R331 VanDerWaalsContact NE2-NH1 3.11Å
281	V	98.5	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-49.8	178.6	176.3	0	0	0	0	110.6	Y252 S253 M257 P278 Q279 S283 S285 I299 Y302 I308	Y252-V281 HydrophobicContact CD2-CG1 4.48Å; Y252-V281 HydrophobicContact CE2-CG1 3.64Å; S253-V281 WeakPolarHBondContact OG-CB 3.29Å; M257-V281 HydrophobicContact CE-CG2 4.06Å; P278-V281 PolarHBondContact O-N 3.17Å; Q279-V281 VanDerWaalsContact C-N 3.27Å; Q279-V281 PolarHBondContact O-N 2.94Å; V281-S283 VanDerWaalsContact C-N 3.27Å; V281-S283 PolarHBondContact O-N 3.4Å; V281-S285 WeakPolarHBondContact O-CB 3.2Å; V281-S285 PolarHBondContact O-N 3.33Å; V281-S285 VanDerWaalsContact O-N 3.09Å; V281-I299 HydrophobicContact CG1-CD1 3.43Å; V281-I299 VanDerWaalsContact CG1-CD1 3.43Å; V281-I299 HydrophobicContact CG1-CG1 3.97Å; V281-I299 HydrophobicContact CG1-CG2 4.17Å; V281-I299 HydrophobicContact CG2-CG2 3.88Å; V281-Y302 HydrophobicContact CG2-CD1 4.28Å; V281-Y302 HydrophobicContact CG2-CE1 4.27Å; V281-I308 HydrophobicContact CG2-CD1 3.75Å
282	V	98.3	Very high	97	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.048	12%	0.12	C	C	.	.	H	α-helix	trans	-58.9	-37.5	-179.3	167.9	0	0	0	0	112.4	P278 Q279 Q280 G290	P278-V282 WeakPolarHBondContact O-CG2 3.26Å; P278-V282 PolarHBondContact O-N 3.18Å; P278-V282 VanDerWaalsContact O-N 3.1Å; Q279-V282 PolarHBondContact O-N 2.7Å; Q280-V282 PolarHBondContact O-N 3.05Å; V282-G290 VanDerWaalsContact O-CA 3.24Å; V282-G290 WeakPolarHBondContact O-CA 3.48Å
283	S	98.2	Very high	96.8	Very high	22 Å²	22	18.8 Å²	18.8	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-95.5	-24.9	-171.1	-48.8	0	0	0	0	113.8	Q279 Q280 V281 T321 C323	Q279-S283 PolarHBondContact NE2-OG 3.48Å; Q279-S283 VanDerWaalsContact O-CB 3.28Å; Q279-S283 WeakPolarHBondContact O-CB 3.45Å; Q279-S283 PolarHBondContact O-N 3.39Å; Q279-S283 PolarHBondContact O-OG 3.06Å; Q280-S283 PolarHBondContact O-N 3.49Å; V281-S283 VanDerWaalsContact C-N 3.27Å; V281-S283 PolarHBondContact O-N 3.4Å; S283-T321 VanDerWaalsContact CB-O 3.23Å; S283-T321 WeakPolarHBondContact CB-O 3.35Å; S283-T321 PolarHBondContact OG-O 3.42Å; S283-T321 PolarHBondContact OG-OG1 3.49Å; S283-C323 WeakPolarHBondContact O-CB 3.38Å
284	C	97.2	Very high	96.6	Very high	27 Å²	27	16.1 Å²	16.1	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-124.6	-15.4	-165.5	-54.8	0	0	0	0	114.4	Q280 E286 C323	Q280-C284 HydrophobicContact CG-CB 4.32Å; Q280-C284 WeakPolarHBondContact O-CA 3.38Å; Q280-C284 WeakPolarHBondContact O-CB 3.45Å; Q280-C284 PolarHBondContact O-N 2.94Å; C284-E286 PolarHBondContact O-N 3.36Å; C284-C323 HydrophobicContact CB-CB 3.86Å; C284-C323 WeakPolarHBondContact CB-SG 3.15Å; C284-C323 VanDerWaalsContact SG-CA 3.54Å; C284-C323 WeakPolarHBondContact SG-CB 3.48Å; C284-C323 CovalentContact SG-SG 2.04Å; C284-C323 PolarHBondContact SG-SG 3.13Å
285	S	97.4	Very high	96.6	Very high	12 Å²	12	16.1 Å²	16.1	8%	0.084	9%	0.094	C	C	.	.			trans	-81.6	116.7	-176.2	-175.7	0	0	0	0	111.2	V281 Y287 Y302	V281-S285 WeakPolarHBondContact O-CB 3.2Å; V281-S285 PolarHBondContact O-N 3.33Å; V281-S285 VanDerWaalsContact O-N 3.09Å; S285-Y287 PolarHBondContact O-N 3.02Å; S285-Y287 PolarHBondContact OG-N 2.7Å; S285-Y302 WeakPolarHBondContact OG-CD2 3.39Å
286	E	95.1	Very high	96.6	Very high	106 Å²	106	14.1 Å²	14.1	50%	0.495	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7	168.2	-59.7	-169.2	136.2	0	0	112.3	W121 C284 A288	W121-E286 HydrophobicContact CH2-CB 3.99Å; W121-E286 HydrophobicContact CZ2-CB 3.82Å; W121-E286 WeakPolarHBondContact CZ2-OE2 3.09Å; C284-E286 PolarHBondContact O-N 3.36Å; E286-A288 VanDerWaalsContact C-N 3.33Å
287	Y	97.2	Very high	96.6	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5	177.8	-57.8	-11.2	0	0	0	112.7	F98 W121 S285 L298 K301 D305 F306	F98-Y287 HydrophobicContact CD1-CD1 4.01Å; F98-Y287 AromaticContact CD1-CE1 3.96Å; F98-Y287 HydrophobicContact CD1-CE1 3.96Å; F98-Y287 HydrophobicContact CD1-CG 4.42Å; F98-Y287 AromaticContact CE1-CD1 3.58Å; F98-Y287 HydrophobicContact CE1-CD1 3.58Å; F98-Y287 HydrophobicContact CE1-CE1 4.01Å; F98-Y287 AromaticContact CE1-CG 3.95Å; F98-Y287 HydrophobicContact CE1-CG 3.95Å; W121-Y287 AromaticContact CD2-CE1 3.7Å; W121-Y287 HydrophobicContact CD2-CE1 3.7Å; W121-Y287 HydrophobicContact CE3-CD1 4.18Å; W121-Y287 AromaticContact CE3-CE1 3.61Å; W121-Y287 HydrophobicContact CE3-CE1 3.61Å; W121-Y287 HydrophobicContact CG-CE1 4.28Å; W121-Y287 HydrophobicContact CH2-CD1 4.19Å; W121-Y287 HydrophobicContact CH2-CE1 4.16Å; W121-Y287 HydrophobicContact CZ2-CE1 4.24Å; W121-Y287 AromaticContact CZ3-CD1 3.97Å; W121-Y287 HydrophobicContact CZ3-CD1 3.97Å; W121-Y287 AromaticContact CZ3-CE1 3.85Å; W121-Y287 HydrophobicContact CZ3-CE1 3.85Å; S285-Y287 PolarHBondContact O-N 3.02Å; S285-Y287 PolarHBondContact OG-N 2.7Å; Y287-L298 WeakPolarHBondContact O-CD1 3.31Å; Y287-K301 HydrophobicContact CD2-CB 4.37Å; Y287-K301 HydrophobicContact CD2-CD 4.19Å; Y287-K301 HydrophobicContact CD2-CG 4.12Å; Y287-K301 HydrophobicContact CE2-CB 4.45Å; Y287-K301 HydrophobicContact CE2-CD 3.81Å; Y287-K301 HydrophobicContact CE2-CG 3.73Å; Y287-D305 WeakPolarHBondContact CE2-OD2 3.43Å; Y287-D305 PolarHBondContact OH-OD2 3Å; Y287-F306 HydrophobicContact CE1-CE2 4.39Å; Y287-F306 HydrophobicContact CE2-CD2 4.47Å; Y287-F306 AromaticContact CE2-CE2 3.82Å; Y287-F306 HydrophobicContact CE2-CE2 3.82Å; Y287-F306 AromaticContact CZ-CE2 3.72Å
288	A	95.8	Very high	96.6	Very high	12 Å²	12	14.4 Å²	14.4	10%	0.099	8%	0.083	C	C	.	.	S	Bend	trans	-143.2	176.7	178.1	0	0	0	0	0	110.8	Y252 E286 I299	Y252-A288 HydrophobicContact CE2-CB 3.64Å; E286-A288 VanDerWaalsContact C-N 3.33Å; A288-I299 HydrophobicContact CB-CD1 4.01Å
289	Q	94.6	Very high	96.6	Very high	41 Å²	41	14.3 Å²	14.3	19%	0.192	8%	0.083	C	C	.	.			trans	-113.1	29.7	-174.8	-63.8	72.5	54.7	0	0	111.5	T22 C291 D292 G293	T22-Q289 HydrophobicContact CG2-CG 4.24Å; Q289-C291 PolarHBondContact O-N 3.42Å; Q289-D292 HydrophobicContact CB-CB 4.05Å; Q289-D292 WeakPolarHBondContact O-CB 3.41Å; Q289-D292 PolarHBondContact O-N 2.95Å; Q289-G293 PolarHBondContact N-O 2.94Å
290	G	95.4	Very high	96.6	Very high	6 Å²	6	14.3 Å²	14.3	6%	0.062	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	61.2	-126.6	179.5	0	0	0	0	0	112.4	Y252 V282 D292	Y252-G290 VanDerWaalsContact CE1-O 3.31Å; Y252-G290 WeakPolarHBondContact CE1-O 3.3Å; Y252-G290 PolarHBondContact OH-O 2.8Å; V282-G290 VanDerWaalsContact O-CA 3.24Å; V282-G290 WeakPolarHBondContact O-CA 3.48Å; G290-D292 PolarHBondContact O-N 2.91Å
291	C	94.9	Very high	96.6	Very high	13 Å²	13	14.3 Å²	14.3	9%	0.088	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-74	-6.9	175.1	-71.5	0	0	0	0	114.6	C248 G249 Q289 K319 N320	C248-C291 HydrophobicContact CB-CB 3.93Å; C248-C291 WeakPolarHBondContact CB-SG 3.27Å; C248-C291 WeakPolarHBondContact SG-CA 3.3Å; C248-C291 WeakPolarHBondContact SG-CB 3.48Å; C248-C291 CovalentContact SG-SG 2.04Å; C248-C291 PolarHBondContact SG-SG 3.11Å; G249-C291 WeakPolarHBondContact CA-O 3.16Å; G249-C291 PolarHBondContact N-O 2.91Å; Q289-C291 PolarHBondContact O-N 3.42Å; C291-K319 WeakPolarHBondContact SG-CA 3.33Å; C291-N320 PolarHBondContact N-OD1 2.94Å
292	D	90.2	Very high	96.6	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.059	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-85.5	-20.8	179.3	-73.2	-69.1	0	0	0	112.7	S18 G20 D21 Y195 Q289 G290	S18-D292 WeakPolarHBondContact CB-OD2 3.42Å; S18-D292 PolarHBondContact OG-OD2 3.21Å; G20-D292 VanDerWaalsContact C-C 3.47Å; G20-D292 CarbonylContact C-O 3.5Å; G20-D292 WeakPolarHBondContact CA-O 3Å; G20-D292 PolarHBondContact N-OD1 3.18Å; G20-D292 WeakPolarHBondContact O-CB 3.23Å; D21-D292 PolarHBondContact N-O 3.14Å; D21-D292 VanDerWaalsContact N-O 3.11Å; Y195-D292 VanDerWaalsContact CE1-OD1 3.22Å; Y195-D292 WeakPolarHBondContact CE1-OD1 3.38Å; Y195-D292 PolarHBondContact OH-OD1 3.17Å; Q289-D292 HydrophobicContact CB-CB 4.05Å; Q289-D292 WeakPolarHBondContact O-CB 3.41Å; Q289-D292 PolarHBondContact O-N 2.95Å; G290-D292 PolarHBondContact O-N 2.91Å
293	G	92.6	Very high	96.6	Very high	2 Å²	2	14.4 Å²	14.4	2%	0.021	8%	0.082	C	C	.	.			trans	149.8	-175.6	176.8	0	0	0	0	0	113.3	D21 Y252 Q289	D21-G293 WeakPolarHBondContact OD1-CA 3.08Å; Y252-G293 WeakPolarHBondContact CE1-O 3.35Å; Q289-G293 PolarHBondContact N-O 2.94Å
294	G	94.6	Very high	96.6	Very high	9 Å²	9	15 Å²	15	9%	0.093	8%	0.083	C	C	.	.			trans	158.5	170.8	-174.6	0	0	0	0	0	112.5	D21 Y252	D21-G294 PolarHBondContact OD1-N 2.79Å; Y252-G294 VanDerWaalsContact CB-C 3.49Å; Y252-G294 WeakPolarHBondContact CB-O 3.4Å; Y252-G294 VanDerWaalsContact CG-C 3.47Å
295	F	96.8	Very high	96.7	Very high	11 Å²	11	14 Å²	14	5%	0.048	8%	0.076	C	C	.	.			trans	-126.1	129.9	-172.1	-67.6	-91.5	0	0	0	111	D21 I83 Y84 Q86 Y297 L298 I299	D21-F295 HydrophobicContact CB-CE2 4.06Å; D21-F295 HydrophobicContact CB-CZ 4.26Å; D21-F295 WeakPolarHBondContact OD1-CE2 3.15Å; D21-F295 VanDerWaalsContact OD2-CZ 3.31Å; D21-F295 WeakPolarHBondContact OD2-CZ 3.06Å; I83-F295 HydrophobicContact CG2-CB 4.3Å; I83-F295 HydrophobicContact CG2-CG 4.35Å; Y84-F295 AromaticContact CD1-CE1 3.42Å; Y84-F295 HydrophobicContact CD1-CE1 3.42Å; Y84-F295 VanDerWaalsContact CD1-CE1 3.42Å; Y84-F295 AromaticContact CD1-CZ 3.54Å; Y84-F295 HydrophobicContact CD1-CZ 3.54Å; Y84-F295 HydrophobicContact CE1-CE1 4.34Å; Y84-F295 HydrophobicContact CE1-CZ 4.35Å; Y84-F295 HydrophobicContact CG-CD1 4.45Å; Y84-F295 AromaticContact CG-CE1 3.55Å; Y84-F295 HydrophobicContact CG-CE1 3.55Å; Y84-F295 HydrophobicContact CG-CZ 4.12Å; Q86-F295 HydrophobicContact CB-CE2 4.45Å; Q86-F295 HydrophobicContact CG-CD2 4.18Å; Q86-F295 HydrophobicContact CG-CE1 4.46Å; Q86-F295 HydrophobicContact CG-CE2 3.41Å; Q86-F295 VanDerWaalsContact CG-CE2 3.41Å; Q86-F295 HydrophobicContact CG-CZ 3.56Å; F295-Y297 PolarHBondContact O-N 2.78Å; F295-Y297 VanDerWaalsContact O-N 3.08Å; F295-L298 PolarHBondContact O-N 2.91Å; F295-I299 PolarHBondContact O-N 3.05Å; F295-I299 VanDerWaalsContact O-N 3.08Å
296	P	98.4	Very high	96.7	Very high	13 Å²	13	15.2 Å²	15.2	8%	0.084	8%	0.079	C	C	.	.	H	α-helix	trans	-53.4	-32.2	177.9	-29.8	36.5	0	0	0	114.4	T256 L298 I299 G300 A363 A398 V447	T256-P296 WeakPolarHBondContact OG1-CA 3.45Å; T256-P296 WeakPolarHBondContact OG1-CB 3.48Å; P296-L298 PolarHBondContact O-N 3.08Å; P296-I299 PolarHBondContact O-N 3.35Å; P296-G300 PolarHBondContact O-N 2.84Å; P296-A363 HydrophobicContact CB-CB 3.58Å; P296-A363 HydrophobicContact CG-CB 3.9Å; P296-A398 HydrophobicContact CG-CB 4.07Å; P296-V447 HydrophobicContact CB-CB 4.26Å; P296-V447 HydrophobicContact CB-CG1 4.36Å; P296-V447 HydrophobicContact CB-CG2 4.41Å
297	Y	98.6	Very high	96.9	Very high	6 Å²	6	10.1 Å²	10.1	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-56	-50.9	173.5	-174.7	-81.3	0	0	0	111.7	T81 I83 E89 F295 I299 G300 K301 Y337 Y339	T81-Y297 HydrophobicContact CG2-CE1 4.37Å; T81-Y297 HydrophobicContact CG2-CE2 3.9Å; T81-Y297 VanDerWaalsContact CG2-OH 3.3Å; T81-Y297 WeakPolarHBondContact CG2-OH 2.96Å; I83-Y297 HydrophobicContact CD1-CD1 3.75Å; I83-Y297 HydrophobicContact CD1-CE1 3.82Å; I83-Y297 HydrophobicContact CG1-CD1 4.01Å; I83-Y297 HydrophobicContact CG1-CE1 4.14Å; E89-Y297 HydrophobicContact CB-CE1 4.26Å; E89-Y297 WeakPolarHBondContact OE2-CE1 3.24Å; E89-Y297 VanDerWaalsContact OE2-CZ 3.3Å; E89-Y297 PolarHBondContact OE2-OH 2.78Å; F295-Y297 PolarHBondContact O-N 2.78Å; F295-Y297 VanDerWaalsContact O-N 3.08Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 3.27Å; Y297-G300 WeakPolarHBondContact O-CA 3.47Å; Y297-G300 PolarHBondContact O-N 2.86Å; Y297-G300 VanDerWaalsContact O-N 3.16Å; Y297-K301 PolarHBondContact O-N 2.93Å; Y297-Y337 HydrophobicContact CD1-CE2 4.49Å; Y297-Y337 HydrophobicContact CE1-CD2 4.18Å; Y297-Y337 AromaticContact CE1-CE2 3.81Å; Y297-Y337 HydrophobicContact CE1-CE2 3.81Å; Y297-Y337 HydrophobicContact CE2-CD2 4.35Å; Y297-Y337 AromaticContact CZ-CE2 3.87Å; Y297-Y339 HydrophobicContact CD2-CD1 4.28Å; Y297-Y339 AromaticContact CD2-CD2 3.53Å; Y297-Y339 HydrophobicContact CD2-CD2 3.53Å; Y297-Y339 HydrophobicContact CD2-CE1 4.13Å; Y297-Y339 AromaticContact CD2-CE2 3.38Å; Y297-Y339 HydrophobicContact CD2-CE2 3.38Å; Y297-Y339 AromaticContact CD2-CG 4Å; Y297-Y339 HydrophobicContact CD2-CG 4Å; Y297-Y339 AromaticContact CD2-CZ 3.73Å; Y297-Y339 AromaticContact CE2-CD2 3.63Å; Y297-Y339 HydrophobicContact CE2-CD2 3.63Å; Y297-Y339 AromaticContact CE2-CE2 3.76Å; Y297-Y339 HydrophobicContact CE2-CE2 3.76Å; Y297-Y339 HydrophobicContact CE2-CG 4.33Å; Y297-Y339 AromaticContact CG-CE2 3.95Å; Y297-Y339 HydrophobicContact CG-CE2 3.95Å; Y297-Y339 AromaticContact CG-CZ 4Å
298	L	98.6	Very high	96.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-70.8	-25.5	-179.9	-73.5	178.9	0	0	0	112.8	I83 F98 F100 Y287 F295 P296 K301 Y302	I83-L298 HydrophobicContact CD1-CD1 4.49Å; I83-L298 HydrophobicContact CD1-CD2 3.52Å; I83-L298 HydrophobicContact CD1-CG 4.03Å; I83-L298 HydrophobicContact CG2-CD1 4.14Å; I83-L298 HydrophobicContact CG2-CG 4.08Å; F98-L298 HydrophobicContact CD1-CD2 4.36Å; F98-L298 HydrophobicContact CD2-CD2 3.79Å; F98-L298 HydrophobicContact CE1-CD2 3.97Å; F98-L298 HydrophobicContact CE2-CD1 3.99Å; F98-L298 HydrophobicContact CE2-CD2 3.38Å; F98-L298 HydrophobicContact CE2-CG 4.33Å; F98-L298 HydrophobicContact CG-CD2 4.29Å; F98-L298 HydrophobicContact CZ-CD1 3.73Å; F98-L298 HydrophobicContact CZ-CD2 3.46Å; F98-L298 VanDerWaalsContact CZ-CD2 3.46Å; F98-L298 HydrophobicContact CZ-CG 4.26Å; F100-L298 HydrophobicContact CE1-CD1 3.69Å; F100-L298 HydrophobicContact CZ-CD1 3.68Å; Y287-L298 WeakPolarHBondContact O-CD1 3.31Å; F295-L298 PolarHBondContact O-N 2.91Å; P296-L298 PolarHBondContact O-N 3.08Å; L298-K301 HydrophobicContact CD2-CD 4.46Å; L298-K301 PolarHBondContact O-N 2.83Å; L298-Y302 WeakPolarHBondContact O-CB 2.99Å; L298-Y302 PolarHBondContact O-N 3.38Å
299	I	98.6	Very high	97.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-75.5	-34.3	171.9	-52.9	-40.4	0	0	0	110.7	Y252 T256 M257 V281 A288 F295 P296 Y297 K301 Y302 V303	Y252-I299 HydrophobicContact CD2-CD1 3.92Å; Y252-I299 HydrophobicContact CD2-CG1 3.59Å; Y252-I299 HydrophobicContact CE2-CD1 3.82Å; Y252-I299 HydrophobicContact CE2-CG1 3.98Å; T256-I299 HydrophobicContact CG2-CB 3.85Å; T256-I299 HydrophobicContact CG2-CG2 3.56Å; M257-I299 HydrophobicContact CE-CG2 3.87Å; V281-I299 HydrophobicContact CG1-CD1 3.43Å; V281-I299 VanDerWaalsContact CG1-CD1 3.43Å; V281-I299 HydrophobicContact CG1-CG1 3.97Å; V281-I299 HydrophobicContact CG1-CG2 4.17Å; V281-I299 HydrophobicContact CG2-CG2 3.88Å; A288-I299 HydrophobicContact CB-CD1 4.01Å; F295-I299 PolarHBondContact O-N 3.05Å; F295-I299 VanDerWaalsContact O-N 3.08Å; P296-I299 PolarHBondContact O-N 3.35Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 3.27Å; I299-K301 VanDerWaalsContact C-N 3.3Å; I299-K301 PolarHBondContact O-N 2.94Å; I299-Y302 PolarHBondContact O-N 3.33Å; I299-V303 HydrophobicContact CG2-CG2 4.18Å; I299-V303 WeakPolarHBondContact O-CB 3.22Å; I299-V303 WeakPolarHBondContact O-CG2 3.39Å; I299-V303 PolarHBondContact O-N 2.97Å
300	G	98.6	Very high	97.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.3	-44.9	167	0	0	0	0	0	112.2	P296 Y297 Q304 T334	P296-G300 PolarHBondContact O-N 2.84Å; Y297-G300 WeakPolarHBondContact O-CA 3.47Å; Y297-G300 PolarHBondContact O-N 2.86Å; Y297-G300 VanDerWaalsContact O-N 3.16Å; G300-Q304 PolarHBondContact O-N 3.42Å; G300-Q304 VanDerWaalsContact O-N 3.12Å; G300-T334 PolarHBondContact O-OG1 2.84Å
301	K	98.7	Very high	97.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-49.1	172.1	-175.8	179.8	172.3	41.3	0	112.4	E89 F98 H123 Y287 Y297 L298 I299 V303 Q304 D305 Y337	E89-K301 WeakPolarHBondContact OE1-CD 3.36Å; E89-K301 IonicContact OE1-NZ 3.79Å; F98-K301 HydrophobicContact CB-CD 4.12Å; F98-K301 HydrophobicContact CD1-CD 4.28Å; F98-K301 HydrophobicContact CG-CD 4.18Å; H123-K301 PolarHBondContact NE2-NZ 3.07Å; Y287-K301 HydrophobicContact CD2-CB 4.37Å; Y287-K301 HydrophobicContact CD2-CD 4.19Å; Y287-K301 HydrophobicContact CD2-CG 4.12Å; Y287-K301 HydrophobicContact CE2-CB 4.45Å; Y287-K301 HydrophobicContact CE2-CD 3.81Å; Y287-K301 HydrophobicContact CE2-CG 3.73Å; Y297-K301 PolarHBondContact O-N 2.93Å; L298-K301 HydrophobicContact CD2-CD 4.46Å; L298-K301 PolarHBondContact O-N 2.83Å; I299-K301 VanDerWaalsContact C-N 3.3Å; I299-K301 PolarHBondContact O-N 2.94Å; K301-V303 VanDerWaalsContact C-N 3.29Å; K301-V303 PolarHBondContact O-N 3.04Å; K301-Q304 WeakPolarHBondContact O-CA 3.28Å; K301-Q304 WeakPolarHBondContact O-CB 3.39Å; K301-Q304 PolarHBondContact O-N 3.33Å; K301-D305 WeakPolarHBondContact CE-OD2 3.48Å; K301-D305 VanDerWaalsContact CG-OD2 3.31Å; K301-D305 WeakPolarHBondContact CG-OD2 3.45Å; K301-D305 IonicContact NZ-OD1 3Å; K301-D305 IonicContact NZ-OD2 3.85Å; K301-D305 PolarHBondContact NZ-OD2 2.68Å; K301-D305 PolarHBondContact O-N 2.89Å; K301-Y337 HydrophobicContact CB-CD2 4.44Å; K301-Y337 HydrophobicContact CB-CE1 4.07Å; K301-Y337 HydrophobicContact CB-CE2 3.81Å; K301-Y337 HydrophobicContact CG-CE1 4.37Å; K301-Y337 HydrophobicContact CG-CE2 4.42Å
302	Y	98.8	Very high	97.5	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-57.2	-42.5	178.6	175.6	-98.6	0	0	0	112	Q280 V281 S285 L298 I299 Q304 D305 F306 G307	Q280-Y302 HydrophobicContact CG-CE1 4.5Å; Q280-Y302 PolarHBondContact NE2-OH 3.1Å; V281-Y302 HydrophobicContact CG2-CD1 4.28Å; V281-Y302 HydrophobicContact CG2-CE1 4.27Å; S285-Y302 WeakPolarHBondContact OG-CD2 3.39Å; L298-Y302 WeakPolarHBondContact O-CB 2.99Å; L298-Y302 PolarHBondContact O-N 3.38Å; I299-Y302 PolarHBondContact O-N 3.33Å; Y302-Q304 VanDerWaalsContact C-N 3.3Å; Y302-Q304 PolarHBondContact O-N 3.09Å; Y302-D305 PolarHBondContact O-N 3.34Å; Y302-F306 HydrophobicContact CD2-CB 4.23Å; Y302-F306 AromaticContact CD2-CD2 3.42Å; Y302-F306 HydrophobicContact CD2-CD2 3.42Å; Y302-F306 VanDerWaalsContact CD2-CD2 3.42Å; Y302-F306 HydrophobicContact CD2-CE2 4.12Å; Y302-F306 HydrophobicContact CD2-CG 4.09Å; Y302-F306 HydrophobicContact CE2-CB 3.86Å; Y302-F306 AromaticContact CE2-CD2 3.66Å; Y302-F306 HydrophobicContact CE2-CD2 3.66Å; Y302-F306 HydrophobicContact CE2-CE2 4.45Å; Y302-F306 AromaticContact CE2-CG 3.87Å; Y302-F306 HydrophobicContact CE2-CG 3.87Å; Y302-F306 HydrophobicContact CG-CD2 4.22Å; Y302-F306 WeakPolarHBondContact O-CA 3.32Å; Y302-F306 WeakPolarHBondContact O-CB 3.39Å; Y302-F306 PolarHBondContact O-N 2.85Å; Y302-G307 PolarHBondContact O-N 3.38Å
303	V	98.8	Very high	97.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.6	-30.8	178.4	-179.4	0	0	0	0	111	M257 L260 I299 K301 G307 I308 Y333 T334	M257-V303 HydrophobicContact CE-CG2 4.45Å; L260-V303 HydrophobicContact CD1-CB 4.43Å; L260-V303 HydrophobicContact CD1-CG1 4.04Å; L260-V303 HydrophobicContact CD1-CG2 3.97Å; I299-V303 HydrophobicContact CG2-CG2 4.18Å; I299-V303 WeakPolarHBondContact O-CB 3.22Å; I299-V303 WeakPolarHBondContact O-CG2 3.39Å; I299-V303 PolarHBondContact O-N 2.97Å; K301-V303 VanDerWaalsContact C-N 3.29Å; K301-V303 PolarHBondContact O-N 3.04Å; V303-G307 WeakPolarHBondContact O-CA 3.34Å; V303-G307 PolarHBondContact O-N 3.19Å; V303-G307 VanDerWaalsContact O-N 3.1Å; V303-I308 HydrophobicContact CG1-CB 4.19Å; V303-I308 HydrophobicContact CG1-CG2 3.76Å; V303-I308 HydrophobicContact CG2-CB 4.12Å; V303-I308 HydrophobicContact CG2-CG2 4.31Å; V303-Y333 WeakPolarHBondContact O-CA 3.49Å; V303-Y333 VanDerWaalsContact O-CD1 3.29Å; V303-Y333 WeakPolarHBondContact O-CD1 3.13Å; V303-T334 HydrophobicContact CB-CG2 4.06Å; V303-T334 HydrophobicContact CG1-CG2 3.7Å
304	Q	98.7	Very high	98.1	Very high	34 Å²	34	16.9 Å²	16.9	16%	0.159	10%	0.097	C	C	.	.	H	α-helix	trans	-69.1	-42.5	173.5	177	161.5	103.3	0	0	111.5	G300 K301 Y302 Y333 T334 A335 Y337	G300-Q304 PolarHBondContact O-N 3.42Å; G300-Q304 VanDerWaalsContact O-N 3.12Å; K301-Q304 WeakPolarHBondContact O-CA 3.28Å; K301-Q304 WeakPolarHBondContact O-CB 3.39Å; K301-Q304 PolarHBondContact O-N 3.33Å; Y302-Q304 VanDerWaalsContact C-N 3.3Å; Y302-Q304 PolarHBondContact O-N 3.09Å; Q304-Y333 WeakPolarHBondContact O-CD1 3.47Å; Q304-T334 VanDerWaalsContact CA-OG1 3.32Å; Q304-T334 WeakPolarHBondContact CA-OG1 3.34Å; Q304-T334 WeakPolarHBondContact CB-OG1 3.43Å; Q304-T334 WeakPolarHBondContact CG-O 3.43Å; Q304-T334 PolarHBondContact N-OG1 2.78Å; Q304-T334 PolarHBondContact NE2-O 2.93Å; Q304-A335 VanDerWaalsContact NE2-C 3.34Å; Q304-A335 PolarHBondContact NE2-O 3.06Å; Q304-Y337 HydrophobicContact CB-CD1 4.16Å; Q304-Y337 HydrophobicContact CB-CE1 3.95Å; Q304-Y337 HydrophobicContact CG-CE1 4.35Å
305	D	98.4	Very high	98.3	Very high	7 Å²	7	20.2 Å²	20.2	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-83.9	-39.1	-171.9	-64.9	-18.4	0	0	0	112.1	Q46 H123 W130 Y287 K301 Y302	Q46-D305 PolarHBondContact OE1-O 3.09Å; Q46-D305 VanDerWaalsContact OE1-O 3.09Å; H123-D305 IonicContact CE1-OD1 3.23Å; H123-D305 PolarHBondContact CE1-OD1 2.91Å; H123-D305 VanDerWaalsContact CE1-OD1 3.23Å; H123-D305 IonicContact CE1-OD2 3.99Å; H123-D305 IonicContact NE2-OD1 2.97Å; H123-D305 PolarHBondContact NE2-OD1 2.89Å; H123-D305 IonicContact NE2-OD2 2.89Å; H123-D305 PolarHBondContact NE2-OD2 3Å; W130-D305 HydrophobicContact CH2-CB 3.78Å; W130-D305 HydrophobicContact CZ2-CB 4.06Å; Y287-D305 WeakPolarHBondContact CE2-OD2 3.43Å; Y287-D305 PolarHBondContact OH-OD2 3Å; K301-D305 WeakPolarHBondContact CE-OD2 3.48Å; K301-D305 VanDerWaalsContact CG-OD2 3.31Å; K301-D305 WeakPolarHBondContact CG-OD2 3.45Å; K301-D305 IonicContact NZ-OD1 3Å; K301-D305 IonicContact NZ-OD2 3.85Å; K301-D305 PolarHBondContact NZ-OD2 2.68Å; K301-D305 PolarHBondContact O-N 2.89Å; Y302-D305 PolarHBondContact O-N 3.34Å
306	F	97.7	Very high	98.4	Very high	36 Å²	36	21.5 Å²	21.5	16%	0.158	12%	0.122	C	C	.	.	H	α-helix	trans	-119.2	-15.4	-171.1	-57.8	-81.9	0	0	0	114	Q46 W130 Y287 Y302 R331	Q46-F306 HydrophobicContact CB-CE1 4.14Å; Q46-F306 WeakPolarHBondContact O-CE1 3.34Å; W130-F306 HydrophobicContact CH2-CE2 4.48Å; W130-F306 HydrophobicContact CH2-CZ 4.19Å; W130-F306 HydrophobicContact CZ3-CZ 4.48Å; Y287-F306 HydrophobicContact CE1-CE2 4.39Å; Y287-F306 HydrophobicContact CE2-CD2 4.47Å; Y287-F306 AromaticContact CE2-CE2 3.82Å; Y287-F306 HydrophobicContact CE2-CE2 3.82Å; Y287-F306 AromaticContact CZ-CE2 3.72Å; Y302-F306 HydrophobicContact CD2-CB 4.23Å; Y302-F306 AromaticContact CD2-CD2 3.42Å; Y302-F306 HydrophobicContact CD2-CD2 3.42Å; Y302-F306 VanDerWaalsContact CD2-CD2 3.42Å; Y302-F306 HydrophobicContact CD2-CE2 4.12Å; Y302-F306 HydrophobicContact CD2-CG 4.09Å; Y302-F306 HydrophobicContact CE2-CB 3.86Å; Y302-F306 AromaticContact CE2-CD2 3.66Å; Y302-F306 HydrophobicContact CE2-CD2 3.66Å; Y302-F306 HydrophobicContact CE2-CE2 4.45Å; Y302-F306 AromaticContact CE2-CG 3.87Å; Y302-F306 HydrophobicContact CE2-CG 3.87Å; Y302-F306 HydrophobicContact CG-CD2 4.22Å; Y302-F306 WeakPolarHBondContact O-CA 3.32Å; Y302-F306 WeakPolarHBondContact O-CB 3.39Å; Y302-F306 PolarHBondContact O-N 2.85Å; F306-R331 WeakPolarHBondContact O-CD 3.42Å; F306-R331 PolarHBondContact O-NH1 2.97Å
307	G	98.1	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.			trans	68.8	165.9	-174.7	0	0	0	0	0	113.9	Q280 Y302 V303 R331 M332 Y333	Q280-G307 PolarHBondContact NE2-O 2.74Å; Y302-G307 PolarHBondContact O-N 3.38Å; V303-G307 WeakPolarHBondContact O-CA 3.34Å; V303-G307 PolarHBondContact O-N 3.19Å; V303-G307 VanDerWaalsContact O-N 3.1Å; G307-R331 PolarHBondContact O-NH1 2.79Å; G307-M332 CarbonylContact C-O 3.55Å; G307-M332 WeakPolarHBondContact CA-O 3.39Å; G307-Y333 VanDerWaalsContact N-CE1 3.3Å
308	I	98.7	Very high	98.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-126.3	138.8	-176.8	-168.1	67.9	0	0	0	111.1	M257 L276 S277 Q280 V281 V303 R331 M332	M257-I308 HydrophobicContact CE-CD1 4.26Å; M257-I308 HydrophobicContact CE-CG1 4.19Å; M257-I308 HydrophobicContact SD-CD1 3.89Å; M257-I308 HydrophobicContact SD-CG1 3.59Å; M257-I308 VanDerWaalsContact SD-CG1 3.59Å; L276-I308 HydrophobicContact CB-CG1 4.28Å; L276-I308 HydrophobicContact CD1-CG2 4.16Å; L276-I308 HydrophobicContact CD2-CG2 4.13Å; S277-I308 WeakPolarHBondContact O-CD1 3.32Å; Q280-I308 HydrophobicContact CB-CD1 4.06Å; Q280-I308 HydrophobicContact CG-CD1 4.28Å; V281-I308 HydrophobicContact CG2-CD1 3.75Å; V303-I308 HydrophobicContact CG1-CB 4.19Å; V303-I308 HydrophobicContact CG1-CG2 3.76Å; V303-I308 HydrophobicContact CG2-CB 4.12Å; V303-I308 HydrophobicContact CG2-CG2 4.31Å; I308-R331 WeakPolarHBondContact O-CA 3.44Å; I308-M332 HydrophobicContact CG2-CB 4.06Å; I308-M332 HydrophobicContact CG2-CE 3.66Å; I308-M332 PolarHBondContact N-O 3.42Å; I308-M332 PolarHBondContact O-N 2.85Å
309	V	98.5	Very high	98.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.			trans	-93.7	160.5	178.4	-55.3	0	0	0	0	111.9	S277 Q280 C313 F314 V325 C329 R331	S277-V309 PolarHBondContact N-O 3.22Å; Q280-V309 HydrophobicContact CB-CG2 4.36Å; Q280-V309 VanDerWaalsContact OE1-CG2 3.24Å; V309-C313 HydrophobicContact CB-CB 3.85Å; V309-C313 HydrophobicContact CG2-CB 3.66Å; V309-F314 HydrophobicContact CG2-CB 4.24Å; V309-V325 HydrophobicContact CG1-CG1 3.7Å; V309-V325 HydrophobicContact CG2-CG1 4.32Å; V309-C329 HydrophobicContact CB-CB 4.22Å; V309-C329 HydrophobicContact CG1-CB 3.75Å; V309-R331 HydrophobicContact CG1-CG 4.07Å
310	D	98.2	Very high	98	Very high	40 Å²	40	34.2 Å²	34.2	21%	0.214	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-64.5	150.2	171.8	-65.3	-30	0	0	0	110.8	V275 S312 C313 K454	V275-D310 CarbonylContact O-C 3.59Å; V275-D310 VanDerWaalsContact O-CA 3.31Å; V275-D310 WeakPolarHBondContact O-CA 3.46Å; D310-S312 PolarHBondContact O-N 2.86Å; D310-S312 VanDerWaalsContact O-N 3.13Å; D310-C313 VanDerWaalsContact O-CB 3.26Å; D310-C313 WeakPolarHBondContact O-CB 3.2Å; D310-C313 PolarHBondContact O-N 3.3Å; D310-K454 IonicContact OD1-NZ 3.89Å; D310-K454 IonicContact OD2-NZ 2.91Å; D310-K454 PolarHBondContact OD2-NZ 2.88Å
311	E	98.5	Very high	97.9	Very high	29 Å²	29	35.8 Å²	35.8	14%	0.136	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.2	179.3	173.6	67.1	-172.1	0	0	112.4	R243 V275 P278 C313 F314 P315 Y316	R243-E311 IonicContact CZ-OE1 2.77Å; R243-E311 IonicContact CZ-OE2 3.63Å; R243-E311 IonicContact NH1-OE1 2.74Å; R243-E311 IonicContact NH1-OE2 3.99Å; R243-E311 PolarHBondContact NH1-OE2 2.82Å; R243-E311 IonicContact NH2-OE1 3.54Å; R243-E311 PolarHBondContact NH2-OE1 3.1Å; R243-E311 IonicContact NH2-OE2 2.67Å; R243-E311 PolarHBondContact NH2-OE2 3.49Å; V275-E311 HydrophobicContact CB-CB 4.28Å; V275-E311 HydrophobicContact CG1-CB 3.84Å; V275-E311 HydrophobicContact CG1-CG 4.37Å; V275-E311 PolarHBondContact O-N 2.99Å; P278-E311 WeakPolarHBondContact CD-OE2 3.24Å; E311-C313 PolarHBondContact O-N 2.84Å; E311-F314 CarbonylContact O-C 3.44Å; E311-F314 PolarHBondContact O-N 3.34Å; E311-P315 WeakPolarHBondContact O-CA 3.39Å; E311-P315 VanDerWaalsContact O-N 3.14Å; E311-P315 WeakPolarHBondContact OE1-CA 3.42Å; E311-Y316 WeakPolarHBondContact OE1-CB 3.49Å; E311-Y316 PolarHBondContact OE1-N 3.44Å
312	S	97.4	Very high	97.8	Very high	102 Å²	102	41.4 Å²	41.4	71%	0.713	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.2	178	55.5	0	0	0	0	113.6	D310	D310-S312 PolarHBondContact O-N 2.86Å; D310-S312 VanDerWaalsContact O-N 3.13Å
313	C	97.6	Very high	97.7	Very high	30 Å²	30	44.6 Å²	44.6	20%	0.203	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-36.6	178.1	-91.6	0	0	0	0	112.9	V309 D310 E311 P326 C329	V309-C313 HydrophobicContact CB-CB 3.85Å; V309-C313 HydrophobicContact CG2-CB 3.66Å; D310-C313 VanDerWaalsContact O-CB 3.26Å; D310-C313 WeakPolarHBondContact O-CB 3.2Å; D310-C313 PolarHBondContact O-N 3.3Å; E311-C313 PolarHBondContact O-N 2.84Å; C313-P326 WeakPolarHBondContact O-CD 3.4Å; C313-C329 HydrophobicContact CB-CB 3.77Å; C313-C329 WeakPolarHBondContact CB-SG 2.99Å; C313-C329 WeakPolarHBondContact SG-CB 3.33Å; C313-C329 CovalentContact SG-SG 2.02Å; C313-C329 PolarHBondContact SG-SG 3.21Å
314	F	98.3	Very high	97.4	Very high	26 Å²	26	47.1 Å²	47.1	11%	0.114	29%	0.288	C	S	.	.	S	Bend	trans	-142	86.8	175.2	-162.8	176.1	0	0	0	110	S277 Q279 Q280 V309 E311 V325	S277-F314 WeakPolarHBondContact CB-O 3.21Å; S277-F314 PolarHBondContact OG-O 3.11Å; Q279-F314 HydrophobicContact CB-CD2 4.2Å; Q279-F314 HydrophobicContact CB-CE2 4.48Å; Q279-F314 HydrophobicContact CB-CG 4.3Å; Q279-F314 HydrophobicContact CG-CD2 3.81Å; Q279-F314 HydrophobicContact CG-CE1 4.42Å; Q279-F314 HydrophobicContact CG-CE2 3.63Å; Q279-F314 HydrophobicContact CG-CG 4.3Å; Q279-F314 HydrophobicContact CG-CZ 3.98Å; Q280-F314 HydrophobicContact CB-CD1 4.09Å; V309-F314 HydrophobicContact CG2-CB 4.24Å; E311-F314 CarbonylContact O-C 3.44Å; E311-F314 PolarHBondContact O-N 3.34Å; F314-V325 HydrophobicContact CD1-CG2 3.58Å; F314-V325 HydrophobicContact CE1-CG2 4.15Å
315	P	98.3	Very high	97.2	Very high	79 Å²	79	46.9 Å²	46.9	51%	0.513	29%	0.289	S	S	.	.			trans	-63.9	147.6	-174.8	-25.8	35.8	0	0	0	113.6	Q279 E311 A317	Q279-P315 WeakPolarHBondContact CG-O 3.35Å; E311-P315 WeakPolarHBondContact O-CA 3.39Å; E311-P315 VanDerWaalsContact O-N 3.14Å; E311-P315 WeakPolarHBondContact OE1-CA 3.42Å; P315-A317 PolarHBondContact O-N 2.9Å
316	Y	98.6	Very high	97	Very high	38 Å²	38	49 Å²	49	15%	0.149	30%	0.303	C	S	.	.			trans	-67.2	124.9	-179.2	-168.9	-108.6	0	0	0	113.6	Q245 C248 S250 F254 P278 Q279 E311 A318	Q245-Y316 PolarHBondContact O-OH 3.47Å; C248-Y316 WeakPolarHBondContact CB-OH 3.3Å; S250-Y316 PolarHBondContact OG-OH 3.41Å; F254-Y316 HydrophobicContact CE2-CD1 4.33Å; F254-Y316 HydrophobicContact CE2-CD2 4.09Å; F254-Y316 AromaticContact CE2-CE1 3.82Å; F254-Y316 HydrophobicContact CE2-CE1 3.82Å; F254-Y316 AromaticContact CE2-CE2 3.55Å; F254-Y316 HydrophobicContact CE2-CE2 3.55Å; F254-Y316 HydrophobicContact CE2-CG 4.45Å; F254-Y316 AromaticContact CE2-CZ 3.4Å; F254-Y316 AromaticContact CZ-CD1 3.77Å; F254-Y316 HydrophobicContact CZ-CD1 3.77Å; F254-Y316 AromaticContact CZ-CD2 3.99Å; F254-Y316 HydrophobicContact CZ-CD2 3.99Å; F254-Y316 AromaticContact CZ-CE1 3.65Å; F254-Y316 HydrophobicContact CZ-CE1 3.65Å; F254-Y316 AromaticContact CZ-CE2 3.88Å; F254-Y316 HydrophobicContact CZ-CE2 3.88Å; F254-Y316 AromaticContact CZ-CG 3.94Å; F254-Y316 HydrophobicContact CZ-CG 3.94Å; F254-Y316 AromaticContact CZ-CZ 3.71Å; P278-Y316 HydrophobicContact CB-CD2 4.04Å; P278-Y316 HydrophobicContact CB-CE2 4.29Å; P278-Y316 HydrophobicContact CG-CD2 4.4Å; Q279-Y316 HydrophobicContact CB-CD2 4.21Å; E311-Y316 WeakPolarHBondContact OE1-CB 3.49Å; E311-Y316 PolarHBondContact OE1-N 3.44Å; Y316-A318 HydrophobicContact CD1-CB 4.24Å; Y316-A318 HydrophobicContact CE1-CB 3.51Å
317	A	97.9	Very high	96.7	Very high	43 Å²	43	52.7 Å²	52.7	36%	0.355	34%	0.34	S	S	.	.			trans	-111.3	-5.4	-175.6	0	0	0	0	0	113.6	P315 K319 T321	P315-A317 PolarHBondContact O-N 2.9Å; A317-K319 HydrophobicContact CB-CG 4.28Å; A317-K319 PolarHBondContact O-N 3.01Å; A317-T321 HydrophobicContact CB-CG2 4.03Å
318	A	96.2	Very high	96.5	Very high	28 Å²	28	59.6 Å²	59.6	23%	0.231	38%	0.377	C	S	.	.	S	Bend	trans	54.1	33.2	-179.5	0	0	0	0	0	114.6	C248 Y316	C248-A318 HydrophobicContact CB-CB 4.48Å; C248-A318 WeakPolarHBondContact CB-O 3.33Å; Y316-A318 HydrophobicContact CD1-CB 4.24Å; Y316-A318 HydrophobicContact CE1-CB 3.51Å
319	K	96	Very high	96.3	Very high	129 Å²	129	60.2 Å²	60.2	56%	0.561	38%	0.381	S	S	*	.	S	Bend	trans	-159.6	165.2	177.1	64.5	-171.7	175.7	178.9	0	110.9	Q279 C291 A317 T321	Q279-K319 PolarHBondContact NE2-O 3.42Å; C291-K319 WeakPolarHBondContact SG-CA 3.33Å; A317-K319 HydrophobicContact CB-CG 4.28Å; A317-K319 PolarHBondContact O-N 3.01Å; K319-T321 HydrophobicContact CG-CG2 3.85Å; K319-T321 PolarHBondContact O-N 3.45Å
320	N	95.5	Very high	96.2	Very high	86 Å²	86	62.7 Å²	62.7	46%	0.46	41%	0.406	S	S	.	.			trans	-66.7	115.8	168.7	-68.3	-31	0	0	0	109	C291	C291-N320 PolarHBondContact N-OD1 2.94Å
321	T	96.9	Very high	96.1	Very high	33 Å²	33	65.5 Å²	65.5	20%	0.202	41%	0.414	C	S	.	.			trans	-119.6	155.2	173.3	56.6	0	0	0	0	109.3	Q279 S283 A317 K319	Q279-T321 PolarHBondContact NE2-OG1 3.28Å; S283-T321 VanDerWaalsContact CB-O 3.23Å; S283-T321 WeakPolarHBondContact CB-O 3.35Å; S283-T321 PolarHBondContact OG-O 3.42Å; S283-T321 PolarHBondContact OG-OG1 3.49Å; A317-T321 HydrophobicContact CB-CG2 4.03Å; K319-T321 HydrophobicContact CG-CG2 3.85Å; K319-T321 PolarHBondContact O-N 3.45Å
322	P	96.9	Very high	96.1	Very high	118 Å²	118	64.8 Å²	64.8	77%	0.766	41%	0.411	S	S	*	.			trans	-54.8	145.4	169.1	-24.5	34.7	0	0	0	111.7	G324	P322-G324 PolarHBondContact O-N 3.2Å
323	C	95.9	Very high	96.1	Very high	78 Å²	78	63.8 Å²	63.8	53%	0.527	39%	0.392	S	S	.	.			trans	-66.9	116.3	173.3	-175.7	0	0	0	0	110.3	S283 C284	S283-C323 WeakPolarHBondContact O-CB 3.38Å; C284-C323 HydrophobicContact CB-CB 3.86Å; C284-C323 WeakPolarHBondContact CB-SG 3.15Å; C284-C323 VanDerWaalsContact SG-CA 3.54Å; C284-C323 WeakPolarHBondContact SG-CB 3.48Å; C284-C323 CovalentContact SG-SG 2.04Å; C284-C323 PolarHBondContact SG-SG 3.13Å
324	G	93.4	Very high	96.2	Very high	53 Å²	53	62.5 Å²	62.5	55%	0.546	38%	0.383	S	S	.	.			trans	-141.1	39.8	-174	0	0	0	0	0	113.7	P322 P326	P322-G324 PolarHBondContact O-N 3.2Å; G324-P326 WeakPolarHBondContact O-CD 3.48Å
325	V	94.8	Very high	96.1	Very high	28 Å²	28	63.3 Å²	63.3	17%	0.17	40%	0.395	C	S	.	.			trans	-63.6	125.4	178.9	179.4	0	0	0	0	110.1	Q280 V309 F314 C329	Q280-V325 HydrophobicContact CB-CG2 4.3Å; Q280-V325 HydrophobicContact CG-CG2 3.81Å; V309-V325 HydrophobicContact CG1-CG1 3.7Å; V309-V325 HydrophobicContact CG2-CG1 4.32Å; F314-V325 HydrophobicContact CD1-CG2 3.58Å; F314-V325 HydrophobicContact CE1-CG2 4.15Å; V325-C329 HydrophobicContact CG1-CB 4.33Å
326	P	94.4	Very high	96.1	Very high	53 Å²	53	65.1 Å²	65.1	34%	0.344	40%	0.397	S	S	.	.			trans	-61.1	138.8	175.7	-22.5	33.1	0	0	0	112.5	C313 G324 N328 C329	C313-P326 WeakPolarHBondContact O-CD 3.4Å; G324-P326 WeakPolarHBondContact O-CD 3.48Å; P326-N328 WeakPolarHBondContact CB-OD1 3.19Å; P326-N328 PolarHBondContact O-N 3.16Å; P326-C329 WeakPolarHBondContact O-CB 3.39Å; P326-C329 PolarHBondContact O-N 3.44Å
327	A	90.3	Very high	96.1	Very high	113 Å²	113	64.7 Å²	64.7	93%	0.934	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-23	-174.1	0	0	0	0	0	114.5	C329	A327-C329 VanDerWaalsContact C-N 3.3Å
328	N	93.6	Very high	96.1	Very high	144 Å²	144	63.5 Å²	63.5	77%	0.77	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	2.8	-179.6	64.9	-37.4	0	0	0	113.7	P326	P326-N328 WeakPolarHBondContact CB-OD1 3.19Å; P326-N328 PolarHBondContact O-N 3.16Å
329	C	95.6	Very high	96.2	Very high	15 Å²	15	62.7 Å²	62.7	10%	0.101	38%	0.378	C	S	.	.			trans	-77.9	124.6	-179.8	-72.3	0	0	0	0	111.7	V309 C313 V325 P326 A327	V309-C329 HydrophobicContact CB-CB 4.22Å; V309-C329 HydrophobicContact CG1-CB 3.75Å; C313-C329 HydrophobicContact CB-CB 3.77Å; C313-C329 WeakPolarHBondContact CB-SG 2.99Å; C313-C329 WeakPolarHBondContact SG-CB 3.33Å; C313-C329 CovalentContact SG-SG 2.02Å; C313-C329 PolarHBondContact SG-SG 3.21Å; V325-C329 HydrophobicContact CG1-CB 4.33Å; P326-C329 WeakPolarHBondContact O-CB 3.39Å; P326-C329 PolarHBondContact O-N 3.44Å; A327-C329 VanDerWaalsContact C-N 3.3Å
330	G	95.1	Very high	96.3	Very high	51 Å²	51	57 Å²	57	53%	0.526	35%	0.354	S	S	.	.			trans	-62.2	146.4	169.8	0	0	0	0	0	111
331	R	96.7	Very high	96.2	Very high	100 Å²	100	54.9 Å²	54.9	38%	0.377	35%	0.353	S	S	.	.			trans	-117.9	132.7	-179.3	-68.4	175.6	176.3	-87.1	-8.4	110.1	Q280 F306 G307 I308 V309 Y333	Q280-R331 VanDerWaalsContact NE2-NH1 3.11Å; F306-R331 WeakPolarHBondContact O-CD 3.42Å; F306-R331 PolarHBondContact O-NH1 2.97Å; G307-R331 PolarHBondContact O-NH1 2.79Å; I308-R331 WeakPolarHBondContact O-CA 3.44Å; V309-R331 HydrophobicContact CG1-CG 4.07Å; R331-Y333 HydrophobicContact CB-CD2 4.48Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å
332	M	98.1	Very high	96.1	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.064	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-95.5	143.6	168.1	-172.4	-169.8	68.6	0	0	109.2	L260 V264 L276 G307 I308 P451 I452	L260-M332 HydrophobicContact CB-CE 3.95Å; L260-M332 HydrophobicContact CD1-CE 4Å; V264-M332 HydrophobicContact CG2-SD 3.57Å; V264-M332 VanDerWaalsContact CG2-SD 3.57Å; L276-M332 HydrophobicContact CD1-CE 3.39Å; L276-M332 HydrophobicContact CD2-CE 3.94Å; L276-M332 HydrophobicContact CD2-SD 4.41Å; L276-M332 HydrophobicContact CG-CE 4.31Å; G307-M332 CarbonylContact C-O 3.55Å; G307-M332 WeakPolarHBondContact CA-O 3.39Å; I308-M332 HydrophobicContact CG2-CB 4.06Å; I308-M332 HydrophobicContact CG2-CE 3.66Å; I308-M332 PolarHBondContact N-O 3.42Å; I308-M332 PolarHBondContact O-N 2.85Å; M332-P451 HydrophobicContact CE-CB 4.09Å; M332-P451 HydrophobicContact SD-CB 3.96Å; M332-I452 WeakPolarHBondContact CG-O 3.48Å
333	Y	98.6	Very high	96.1	Very high	81 Å²	81	51.6 Å²	51.6	32%	0.318	34%	0.335	S	S	.	.			trans	-120.4	164.4	-179.1	-67.3	-95.6	0	0	0	111.2	V303 Q304 G307 R331 I452	V303-Y333 WeakPolarHBondContact O-CA 3.49Å; V303-Y333 VanDerWaalsContact O-CD1 3.29Å; V303-Y333 WeakPolarHBondContact O-CD1 3.13Å; Q304-Y333 WeakPolarHBondContact O-CD1 3.47Å; G307-Y333 VanDerWaalsContact N-CE1 3.3Å; R331-Y333 HydrophobicContact CB-CD2 4.48Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å; Y333-I452 PolarHBondContact O-N 2.74Å
334	T	98.4	Very high	96	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.4	171.3	42.7	0	0	0	0	110.2	L260 G300 V303 Q304 A449 K450	L260-T334 HydrophobicContact CD1-CG2 4.16Å; L260-T334 HydrophobicContact CD2-CG2 3.51Å; G300-T334 PolarHBondContact O-OG1 2.84Å; V303-T334 HydrophobicContact CB-CG2 4.06Å; V303-T334 HydrophobicContact CG1-CG2 3.7Å; Q304-T334 VanDerWaalsContact CA-OG1 3.32Å; Q304-T334 WeakPolarHBondContact CA-OG1 3.34Å; Q304-T334 WeakPolarHBondContact CB-OG1 3.43Å; Q304-T334 WeakPolarHBondContact CG-O 3.43Å; Q304-T334 PolarHBondContact N-OG1 2.78Å; Q304-T334 PolarHBondContact NE2-O 2.93Å; T334-A449 HydrophobicContact CG2-CB 3.99Å; T334-K450 CarbonylContact C-O 3.58Å; T334-K450 VanDerWaalsContact CA-O 3.24Å; T334-K450 WeakPolarHBondContact CA-O 3.49Å
335	A	97.9	Very high	95.9	Very high	44 Å²	44	47 Å²	47	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-38.4	175.8	0	0	0	0	0	111.5	Q304 K450 I452	Q304-A335 VanDerWaalsContact NE2-C 3.34Å; Q304-A335 PolarHBondContact NE2-O 3.06Å; A335-K450 PolarHBondContact N-O 2.98Å; A335-I452 HydrophobicContact CB-CD1 4.06Å; A335-I452 HydrophobicContact CB-CG1 3.9Å
336	E	97.6	Very high	95.8	Very high	117 Å²	117	46.1 Å²	46.1	55%	0.547	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.6	-174.9	-66.6	166.4	-126.1	0	0	109.4	A449 K450	E336-A449 CarbonylContact O-C 3.56Å; E336-A449 VanDerWaalsContact O-CA 3.24Å; E336-A449 WeakPolarHBondContact O-CA 3.48Å; E336-K450 HydrophobicContact CB-CB 4.22Å; E336-K450 PolarHBondContact O-N 3Å; E336-K450 IonicContact OE1-NZ 3.7Å
337	Y	98.5	Very high	95.8	Very high	29 Å²	29	43.8 Å²	43.8	11%	0.114	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.4	169.8	60.7	-89.7	0	0	0	109.4	E89 K96 Y297 K301 Q304 A448	E89-Y337 PolarHBondContact OE1-OH 2.91Å; E89-Y337 WeakPolarHBondContact OE2-CE2 3.18Å; E89-Y337 PolarHBondContact OE2-OH 3.1Å; K96-Y337 PolarHBondContact NZ-OH 2.68Å; Y297-Y337 HydrophobicContact CD1-CE2 4.49Å; Y297-Y337 HydrophobicContact CE1-CD2 4.18Å; Y297-Y337 AromaticContact CE1-CE2 3.81Å; Y297-Y337 HydrophobicContact CE1-CE2 3.81Å; Y297-Y337 HydrophobicContact CE2-CD2 4.35Å; Y297-Y337 AromaticContact CZ-CE2 3.87Å; K301-Y337 HydrophobicContact CB-CD2 4.44Å; K301-Y337 HydrophobicContact CB-CE1 4.07Å; K301-Y337 HydrophobicContact CB-CE2 3.81Å; K301-Y337 HydrophobicContact CG-CE1 4.37Å; K301-Y337 HydrophobicContact CG-CE2 4.42Å; Q304-Y337 HydrophobicContact CB-CD1 4.16Å; Q304-Y337 HydrophobicContact CB-CE1 3.95Å; Q304-Y337 HydrophobicContact CG-CE1 4.35Å; Y337-A448 CarbonylContact C-O 3.52Å; Y337-A448 VanDerWaalsContact CA-O 3.29Å; Y337-A448 WeakPolarHBondContact CA-O 3.37Å
338	G	98.3	Very high	96.1	Very high	18 Å²	18	38.6 Å²	38.6	19%	0.186	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	168.5	177.1	0	0	0	0	0	113.3	V447 A448	G338-V447 WeakPolarHBondContact O-CA 3.3Å; G338-A448 PolarHBondContact N-O 3.47Å; G338-A448 PolarHBondContact O-N 3.05Å
339	Y	98.3	Very high	96.2	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.7	167.4	-73.3	-64.5	0	0	0	110.2	T81 L82 Y297 G341 G342 Y344 I445 A446 V447	T81-Y339 HydrophobicContact CG2-CD2 4.22Å; T81-Y339 HydrophobicContact CG2-CE2 4.24Å; L82-Y339 WeakPolarHBondContact O-CE2 3.31Å; Y297-Y339 HydrophobicContact CD2-CD1 4.28Å; Y297-Y339 AromaticContact CD2-CD2 3.53Å; Y297-Y339 HydrophobicContact CD2-CD2 3.53Å; Y297-Y339 HydrophobicContact CD2-CE1 4.13Å; Y297-Y339 AromaticContact CD2-CE2 3.38Å; Y297-Y339 HydrophobicContact CD2-CE2 3.38Å; Y297-Y339 AromaticContact CD2-CG 4Å; Y297-Y339 HydrophobicContact CD2-CG 4Å; Y297-Y339 AromaticContact CD2-CZ 3.73Å; Y297-Y339 AromaticContact CE2-CD2 3.63Å; Y297-Y339 HydrophobicContact CE2-CD2 3.63Å; Y297-Y339 AromaticContact CE2-CE2 3.76Å; Y297-Y339 HydrophobicContact CE2-CE2 3.76Å; Y297-Y339 HydrophobicContact CE2-CG 4.33Å; Y297-Y339 AromaticContact CG-CE2 3.95Å; Y297-Y339 HydrophobicContact CG-CE2 3.95Å; Y297-Y339 AromaticContact CG-CZ 4Å; Y339-G341 PolarHBondContact O-N 2.96Å; Y339-G342 WeakPolarHBondContact O-CA 3.38Å; Y339-G342 PolarHBondContact O-N 3.04Å; Y339-Y344 VanDerWaalsContact CD2-N 3.35Å; Y339-Y344 HydrophobicContact CE1-CD2 4.4Å; Y339-I445 HydrophobicContact CD1-CG1 4.11Å; Y339-I445 HydrophobicContact CE1-CD1 4.06Å; Y339-I445 HydrophobicContact CE1-CG1 3.39Å; Y339-A446 WeakPolarHBondContact CA-O 3.45Å; Y339-V447 HydrophobicContact CD1-CG2 3.51Å; Y339-V447 HydrophobicContact CE1-CG2 3.43Å; Y339-V447 VanDerWaalsContact CE1-CG2 3.43Å
340	V	97.1	Very high	96.2	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	128.6	170.1	177.8	0	0	0	0	108.3	C347 A351 M352 E355 M362 A446 A448	V340-C347 VanDerWaalsContact O-CA 3.3Å; V340-C347 WeakPolarHBondContact O-CA 3.32Å; V340-C347 PolarHBondContact O-N 3.22Å; V340-A351 HydrophobicContact CG1-CB 3.67Å; V340-M352 HydrophobicContact CG1-CG 4.27Å; V340-E355 HydrophobicContact CG1-CB 4.33Å; V340-E355 HydrophobicContact CG2-CB 4.35Å; V340-E355 HydrophobicContact CG2-CG 4.01Å; V340-M362 HydrophobicContact CG2-SD 3.8Å; V340-A446 HydrophobicContact CB-CB 3.91Å; V340-A446 HydrophobicContact CG2-CB 3.77Å; V340-A446 PolarHBondContact N-O 3.36Å; V340-A448 HydrophobicContact CG2-CB 4.32Å
341	G	94	Very high	96.2	Very high	41 Å²	41	31.5 Å²	31.5	42%	0.423	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	5.6	-169	0	0	0	0	0	114.4	Y339 F343 G346	Y339-G341 PolarHBondContact O-N 2.96Å; G341-F343 PolarHBondContact O-N 3.37Å; G341-G346 WeakPolarHBondContact CA-O 3.34Å
342	G	95.1	Very high	96.3	Very high	42 Å²	42	26.7 Å²	26.7	43%	0.433	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	99.2	-44.6	168.8	0	0	0	0	0	113.9	F79 Y339	F79-G342 WeakPolarHBondContact CZ-O 3.09Å; Y339-G342 WeakPolarHBondContact O-CA 3.38Å; Y339-G342 PolarHBondContact O-N 3.04Å
343	F	95.6	Very high	96.3	Very high	40 Å²	40	27 Å²	27	18%	0.175	17%	0.167	C	C	.	.	S	Bend	trans	-141.6	167.1	-177.9	57.8	-83.4	0	0	0	111.2	L67 F79 G341 G345 G346	L67-F343 HydrophobicContact CB-CE1 4.38Å; L67-F343 HydrophobicContact CB-CE2 4.22Å; L67-F343 HydrophobicContact CB-CZ 3.87Å; L67-F343 HydrophobicContact CD1-CZ 4.14Å; F79-F343 HydrophobicContact CE2-CB 3.87Å; F79-F343 HydrophobicContact CZ-CB 3.77Å; G341-F343 PolarHBondContact O-N 3.37Å; F343-G345 PolarHBondContact O-N 3.46Å; F343-G346 PolarHBondContact O-N 2.95Å
344	Y	94.4	Very high	96.2	Very high	20 Å²	20	23.8 Å²	23.8	8%	0.078	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	112.6	174.5	-179.4	-119.5	0	0	0	110.4	T81 L82 Y84 V208 Y339 I445	T81-Y344 PolarHBondContact OG1-N 3.12Å; L82-Y344 HydrophobicContact CB-CD1 4.21Å; L82-Y344 HydrophobicContact CD2-CD1 4Å; L82-Y344 HydrophobicContact CD2-CE1 4.19Å; L82-Y344 HydrophobicContact CG-CD1 4.37Å; L82-Y344 WeakPolarHBondContact O-CB 3.44Å; Y84-Y344 HydrophobicContact CD2-CE2 4.28Å; Y84-Y344 AromaticContact CD2-CZ 3.9Å; Y84-Y344 VanDerWaalsContact CD2-OH 3.3Å; Y84-Y344 WeakPolarHBondContact CD2-OH 3.46Å; Y84-Y344 VanDerWaalsContact O-CE1 3.26Å; Y84-Y344 WeakPolarHBondContact O-CE1 3.03Å; V208-Y344 HydrophobicContact CB-CE1 4.32Å; V208-Y344 HydrophobicContact CG2-CD1 4.15Å; V208-Y344 HydrophobicContact CG2-CE1 3.5Å; V208-Y344 VanDerWaalsContact CG2-CE1 3.5Å; Y339-Y344 VanDerWaalsContact CD2-N 3.35Å; Y339-Y344 HydrophobicContact CE1-CD2 4.4Å; Y344-I445 HydrophobicContact CD2-CB 4.48Å; Y344-I445 HydrophobicContact CD2-CD1 4.05Å; Y344-I445 HydrophobicContact CD2-CG1 3.92Å; Y344-I445 HydrophobicContact CE2-CB 4.12Å; Y344-I445 HydrophobicContact CE2-CD1 3.71Å; Y344-I445 HydrophobicContact CE2-CG1 3.84Å
345	G	92.2	Very high	96.2	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-2.4	-172	0	0	0	0	0	117	F343 C347	F343-G345 PolarHBondContact O-N 3.46Å; G345-C347 VanDerWaalsContact C-N 3.31Å
346	G	93	Very high	96.3	Very high	9 Å²	9	23.2 Å²	23.2	9%	0.093	14%	0.144	C	C	.	.			trans	-82	-7.9	166.7	0	0	0	0	0	113.9	G341 F343	G341-G346 WeakPolarHBondContact CA-O 3.34Å; F343-G346 PolarHBondContact O-N 2.95Å
347	C	94.5	Very high	96.3	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.02	13%	0.125	C	C	.	.			trans	-66.9	144.2	-172.6	-165.4	0	0	0	0	111.9	P210 A211 V340 G345 M352 E443 A446	P210-C347 CarbonylContact C-O 3.57Å; P210-C347 WeakPolarHBondContact CA-O 3.22Å; P210-C347 WeakPolarHBondContact CB-O 3.45Å; A211-C347 PolarHBondContact N-O 3.31Å; V340-C347 VanDerWaalsContact O-CA 3.3Å; V340-C347 WeakPolarHBondContact O-CA 3.32Å; V340-C347 PolarHBondContact O-N 3.22Å; G345-C347 VanDerWaalsContact C-N 3.31Å; C347-M352 VanDerWaalsContact SG-SD 3.62Å; C347-E443 WeakPolarHBondContact CB-O 3.42Å; C347-E443 PolarHBondContact SG-O 3.37Å; C347-A446 VanDerWaalsContact SG-CB 3.56Å
348	S	94.7	Very high	96.3	Very high	5 Å²	5	23 Å²	23	4%	0.035	14%	0.144	C	C	.	.			trans	-155.1	157.2	175.4	64	0	0	0	0	111	T350 A351 M352	S348-T350 PolarHBondContact O-N 2.67Å; S348-T350 VanDerWaalsContact O-N 3.17Å; S348-A351 PolarHBondContact O-N 2.86Å; S348-A351 VanDerWaalsContact O-N 3.14Å; S348-A351 WeakPolarHBondContact OG-CB 3.17Å; S348-A351 PolarHBondContact OG-N 2.83Å; S348-M352 VanDerWaalsContact O-CG 3.3Å; S348-M352 WeakPolarHBondContact O-CG 2.97Å; S348-M352 PolarHBondContact O-N 2.75Å
349	E	95.6	Very high	96.2	Very high	34 Å²	34	26 Å²	26	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-47.1	-47.3	173.9	178.8	-170.8	-169.7	0	0	110.9	M352 M353 K413 W415 R435 G436	E349-M352 PolarHBondContact O-N 2.96Å; E349-M353 HydrophobicContact CG-SD 4.3Å; E349-M353 WeakPolarHBondContact O-CG 3.47Å; E349-M353 PolarHBondContact O-N 3.47Å; E349-K413 IonicContact OE1-NZ 3.22Å; E349-K413 PolarHBondContact OE1-NZ 2.77Å; E349-K413 IonicContact OE2-NZ 2.72Å; E349-K413 PolarHBondContact OE2-NZ 3.22Å; E349-K413 VanDerWaalsContact OE2-NZ 3.08Å; E349-W415 HydrophobicContact CG-CZ2 3.98Å; E349-R435 HydrophobicContact CG-CG 3.93Å; E349-R435 VanDerWaalsContact OE1-CG 3.29Å; E349-R435 WeakPolarHBondContact OE1-CG 3.34Å; E349-R435 IonicContact OE1-CZ 3.78Å; E349-R435 IonicContact OE1-NE 3.42Å; E349-R435 IonicContact OE1-NH1 3.54Å; E349-R435 PolarHBondContact OE1-NH1 2.93Å; E349-G436 VanDerWaalsContact CD-CA 3.42Å; E349-G436 VanDerWaalsContact OE2-CA 3.23Å; E349-G436 WeakPolarHBondContact OE2-CA 3.47Å
350	T	95.6	Very high	96.3	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-66.6	-44.8	-177.3	-71.2	0	0	0	0	112.5	V213 L217 A221 S348 M352 M353 L354	V213-T350 HydrophobicContact CG1-CG2 3.74Å; V213-T350 WeakPolarHBondContact CG1-OG1 2.93Å; L217-T350 HydrophobicContact CB-CG2 3.8Å; L217-T350 VanDerWaalsContact O-CG2 3.32Å; L217-T350 WeakPolarHBondContact O-CG2 3.28Å; A221-T350 HydrophobicContact CB-CG2 3.65Å; S348-T350 PolarHBondContact O-N 2.67Å; S348-T350 VanDerWaalsContact O-N 3.17Å; T350-M352 VanDerWaalsContact C-N 3.32Å; T350-M352 PolarHBondContact O-N 3.37Å; T350-M353 PolarHBondContact O-N 3.3Å; T350-L354 HydrophobicContact CG2-CD1 4.15Å; T350-L354 WeakPolarHBondContact O-CG 3.34Å; T350-L354 PolarHBondContact O-N 3.01Å
351	A	96.4	Very high	96.3	Very high	11 Å²	11	25 Å²	25	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-39	177.7	0	0	0	0	0	111.3	V340 S348 L354 E355	V340-A351 HydrophobicContact CG1-CB 3.67Å; S348-A351 PolarHBondContact O-N 2.86Å; S348-A351 VanDerWaalsContact O-N 3.14Å; S348-A351 WeakPolarHBondContact OG-CB 3.17Å; S348-A351 PolarHBondContact OG-N 2.83Å; A351-L354 PolarHBondContact O-N 3.43Å; A351-E355 WeakPolarHBondContact O-CB 3.23Å; A351-E355 PolarHBondContact O-N 2.9Å
352	M	98.3	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-44.7	174.5	-67.5	165.9	66.4	0	0	111.9	V340 C347 S348 E349 T350 L354 E355 L356 M362 V364 L401 W415 E443 A446	V340-M352 HydrophobicContact CG1-CG 4.27Å; C347-M352 VanDerWaalsContact SG-SD 3.62Å; S348-M352 VanDerWaalsContact O-CG 3.3Å; S348-M352 WeakPolarHBondContact O-CG 2.97Å; S348-M352 PolarHBondContact O-N 2.75Å; E349-M352 PolarHBondContact O-N 2.96Å; T350-M352 VanDerWaalsContact C-N 3.32Å; T350-M352 PolarHBondContact O-N 3.37Å; M352-L354 VanDerWaalsContact C-N 3.31Å; M352-L354 PolarHBondContact O-N 3.34Å; M352-E355 PolarHBondContact O-N 3.06Å; M352-L356 WeakPolarHBondContact O-CB 3.33Å; M352-L356 PolarHBondContact O-N 3.13Å; M352-M362 HydrophobicContact CB-SD 4.23Å; M352-M362 HydrophobicContact CG-SD 4.21Å; M352-M362 WeakPolarHBondContact O-CE 3.47Å; M352-V364 HydrophobicContact CE-CG1 4Å; M352-L401 HydrophobicContact CE-CD2 3.7Å; M352-W415 HydrophobicContact CB-CH2 3.9Å; M352-W415 HydrophobicContact CB-CZ2 4.18Å; M352-W415 HydrophobicContact CE-CH2 4.48Å; M352-W415 HydrophobicContact CE-CZ2 3.97Å; M352-W415 HydrophobicContact SD-CZ2 4.4Å; M352-E443 HydrophobicContact CE-CG 4.28Å; M352-E443 VanDerWaalsContact SD-CA 3.59Å; M352-E443 HydrophobicContact SD-CB 3.82Å; M352-E443 HydrophobicContact SD-CG 3.98Å; M352-A446 HydrophobicContact CE-CB 4.36Å; M352-A446 HydrophobicContact CG-CB 3.82Å; M352-A446 HydrophobicContact SD-CB 4.22Å
353	M	98.2	Very high	96.8	Very high	19 Å²	19	21 Å²	21	9%	0.094	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-44.1	175.9	-72.9	-179.1	68.9	0	0	111.5	L224 E349 T350 L356 V357 Y404 W415 R435	L224-M353 HydrophobicContact CD1-CB 3.72Å; L224-M353 HydrophobicContact CD1-CE 4.36Å; E349-M353 HydrophobicContact CG-SD 4.3Å; E349-M353 WeakPolarHBondContact O-CG 3.47Å; E349-M353 PolarHBondContact O-N 3.47Å; T350-M353 PolarHBondContact O-N 3.3Å; M353-L356 PolarHBondContact O-N 3.42Å; M353-V357 WeakPolarHBondContact O-CG2 3.47Å; M353-V357 PolarHBondContact O-N 2.94Å; M353-V357 VanDerWaalsContact O-N 3.1Å; M353-Y404 HydrophobicContact CB-CE1 4.3Å; M353-Y404 HydrophobicContact CE-CD2 4.12Å; M353-Y404 HydrophobicContact CE-CE1 4.01Å; M353-Y404 HydrophobicContact CE-CE2 3.53Å; M353-Y404 VanDerWaalsContact CE-CZ 3.49Å; M353-Y404 HydrophobicContact CG-CD1 4.23Å; M353-Y404 HydrophobicContact CG-CE1 4.14Å; M353-W415 HydrophobicContact CB-CH2 4.49Å; M353-W415 HydrophobicContact CG-CH2 3.52Å; M353-W415 HydrophobicContact CG-CZ3 4.04Å; M353-R435 PolarHBondContact SD-NH1 2.83Å
354	L	97.4	Very high	96.9	Very high	13 Å²	13	19.2 Å²	19.2	7%	0.068	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-48.1	179.7	-75.4	165.3	0	0	0	112.4	L217 M220 L224 T350 A351 M352 L356 K358	L217-L354 HydrophobicContact CD2-CD1 3.45Å; L217-L354 VanDerWaalsContact CD2-CD1 3.45Å; M220-L354 HydrophobicContact CB-CD1 4.21Å; M220-L354 HydrophobicContact CB-CD2 3.85Å; M220-L354 HydrophobicContact CE-CD2 4.44Å; L224-L354 HydrophobicContact CD1-CD2 3.96Å; L224-L354 HydrophobicContact CD1-CG 4.16Å; L224-L354 HydrophobicContact CD2-CD2 4.28Å; L224-L354 HydrophobicContact CG-CD2 4.3Å; T350-L354 HydrophobicContact CG2-CD1 4.15Å; T350-L354 WeakPolarHBondContact O-CG 3.34Å; T350-L354 PolarHBondContact O-N 3.01Å; A351-L354 PolarHBondContact O-N 3.43Å; M352-L354 VanDerWaalsContact C-N 3.31Å; M352-L354 PolarHBondContact O-N 3.34Å; L354-L356 VanDerWaalsContact C-N 3.3Å; L354-L356 PolarHBondContact O-N 3.06Å; L354-K358 VanDerWaalsContact O-CB 3.27Å; L354-K358 WeakPolarHBondContact O-CB 3.49Å; L354-K358 VanDerWaalsContact O-CG 3.28Å; L354-K358 WeakPolarHBondContact O-CG 3.39Å; L354-K358 PolarHBondContact O-N 3.15Å; L354-K358 VanDerWaalsContact O-N 3.1Å
355	E	98.3	Very high	96.9	Very high	35 Å²	35	19.3 Å²	19.3	16%	0.164	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-42.1	177	175.5	62.6	-158.7	0	0	110.7	R263 V340 A351 M352 N359 G360 M362 A448	R263-E355 IonicContact CZ-OE1 3.69Å; R263-E355 VanDerWaalsContact CZ-OE1 3.24Å; R263-E355 IonicContact NH1-OE1 2.58Å; R263-E355 PolarHBondContact NH1-OE1 2.87Å; R263-E355 IonicContact NH2-OE1 2.77Å; R263-E355 PolarHBondContact NH2-OE1 3.24Å; V340-E355 HydrophobicContact CG1-CB 4.33Å; V340-E355 HydrophobicContact CG2-CB 4.35Å; V340-E355 HydrophobicContact CG2-CG 4.01Å; A351-E355 WeakPolarHBondContact O-CB 3.23Å; A351-E355 PolarHBondContact O-N 2.9Å; M352-E355 PolarHBondContact O-N 3.06Å; E355-N359 WeakPolarHBondContact O-CA 3.49Å; E355-N359 WeakPolarHBondContact O-CB 3.38Å; E355-N359 PolarHBondContact O-N 3.15Å; E355-N359 WeakPolarHBondContact OE1-CB 3.15Å; E355-N359 PolarHBondContact OE2-ND2 3.35Å; E355-G360 PolarHBondContact O-N 3.42Å; E355-M362 HydrophobicContact CB-CE 3.64Å; E355-M362 HydrophobicContact CB-SD 4.46Å; E355-M362 HydrophobicContact CG-CE 3.54Å; E355-M362 HydrophobicContact CG-SD 4.21Å; E355-A448 HydrophobicContact CG-CB 4.03Å; E355-A448 WeakPolarHBondContact OE1-CB 3.44Å
356	L	98.8	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-50.8	-177.3	-172.5	65.4	0	0	0	111.9	W230 M352 M353 L354 G360 M362 L401 Y404 W415	W230-L356 WeakPolarHBondContact CZ2-O 3.41Å; W230-L356 PolarHBondContact NE1-O 3.35Å; M352-L356 WeakPolarHBondContact O-CB 3.33Å; M352-L356 PolarHBondContact O-N 3.13Å; M353-L356 PolarHBondContact O-N 3.42Å; L354-L356 VanDerWaalsContact C-N 3.3Å; L354-L356 PolarHBondContact O-N 3.06Å; L356-G360 WeakPolarHBondContact O-CA 3.49Å; L356-G360 PolarHBondContact O-N 3.14Å; L356-G360 VanDerWaalsContact O-N 3.12Å; L356-M362 HydrophobicContact CB-CE 3.62Å; L356-M362 HydrophobicContact CD1-CE 4.19Å; L356-M362 HydrophobicContact CG-CE 4.5Å; L356-M362 VanDerWaalsContact N-CE 3.26Å; L356-L401 HydrophobicContact CD1-CG 4.37Å; L356-L401 WeakPolarHBondContact CD1-O 3.47Å; L356-L401 HydrophobicContact CD2-CD2 4.42Å; L356-L401 HydrophobicContact CD2-CG 4.31Å; L356-Y404 HydrophobicContact CD2-CD1 3.79Å; L356-Y404 HydrophobicContact CD2-CE1 4.3Å; L356-W415 HydrophobicContact CD2-CZ3 4.41Å
357	V	98.5	Very high	97.1	Very high	23 Å²	23	19.1 Å²	19.1	14%	0.139	10%	0.1	C	C	.	.	H	α-helix	trans	-71.2	-38.4	-175.8	177.6	0	0	0	0	111.1	L224 W228 M353 Y404	L224-V357 HydrophobicContact CD1-CG2 4.33Å; L224-V357 HydrophobicContact CD2-CB 3.97Å; L224-V357 HydrophobicContact CD2-CG1 3.95Å; L224-V357 HydrophobicContact CD2-CG2 4.17Å; W228-V357 HydrophobicContact CB-CG2 4.24Å; W228-V357 HydrophobicContact CD2-CB 4.45Å; W228-V357 HydrophobicContact CD2-CG1 4.17Å; W228-V357 HydrophobicContact CD2-CG2 3.93Å; W228-V357 HydrophobicContact CE3-CG1 4.18Å; W228-V357 HydrophobicContact CE3-CG2 4.43Å; W228-V357 HydrophobicContact CG-CG2 3.82Å; W228-V357 HydrophobicContact CH2-CG1 4.14Å; W228-V357 HydrophobicContact CZ2-CG1 4.13Å; W228-V357 HydrophobicContact CZ3-CG1 4.16Å; M353-V357 WeakPolarHBondContact O-CG2 3.47Å; M353-V357 PolarHBondContact O-N 2.94Å; M353-V357 VanDerWaalsContact O-N 3.1Å; V357-Y404 HydrophobicContact CG2-CE1 3.76Å; V357-Y404 WeakPolarHBondContact CG2-OH 3.41Å
358	K	97.2	Very high	97	Very high	119 Å²	119	19 Å²	19	52%	0.517	10%	0.099	S	C	.	.	H	α-helix	trans	-81.1	-39.5	-175.1	-68.2	-179.7	175.7	-174.4	0	113.5	M220 L354	M220-K358 VanDerWaalsContact CE-NZ 3.26Å; L354-K358 VanDerWaalsContact O-CB 3.27Å; L354-K358 WeakPolarHBondContact O-CB 3.49Å; L354-K358 VanDerWaalsContact O-CG 3.28Å; L354-K358 WeakPolarHBondContact O-CG 3.39Å; L354-K358 PolarHBondContact O-N 3.15Å; L354-K358 VanDerWaalsContact O-N 3.1Å
359	N	98.1	Very high	96.9	Very high	81 Å²	81	21.3 Å²	21.3	43%	0.433	11%	0.107	S	C	.	.	H	α-helix	trans	-123.7	-5.1	-163.9	-61.9	-38.9	0	0	0	113.5	R263 E355	R263-N359 PolarHBondContact NE-O 3Å; E355-N359 WeakPolarHBondContact O-CA 3.49Å; E355-N359 WeakPolarHBondContact O-CB 3.38Å; E355-N359 PolarHBondContact O-N 3.15Å; E355-N359 WeakPolarHBondContact OE1-CB 3.15Å; E355-N359 PolarHBondContact OE2-ND2 3.35Å
360	G	98.7	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.			trans	102.9	-179.5	175.2	0	0	0	0	0	114.9	R263 I266 E355 L356	R263-G360 PolarHBondContact NH2-O 2.81Å; R263-G360 VanDerWaalsContact NH2-O 3.12Å; I266-G360 VanDerWaalsContact CD1-CA 3.49Å; E355-G360 PolarHBondContact O-N 3.42Å; L356-G360 WeakPolarHBondContact O-CA 3.49Å; L356-G360 PolarHBondContact O-N 3.14Å; L356-G360 VanDerWaalsContact O-N 3.12Å
361	P	98.9	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.			trans	-49.1	149.4	177	-31.7	40.4	0	0	0	113.4	W230 V239 M259 A262 R263 L400 L401 V402	W230-P361 HydrophobicContact CB-CG 3.97Å; W230-P361 VanDerWaalsContact CD1-CD 3.5Å; W230-P361 HydrophobicContact CG-CG 3.84Å; V239-P361 HydrophobicContact CG2-CG 4.47Å; M259-P361 WeakPolarHBondContact CG-O 3.49Å; A262-P361 HydrophobicContact CB-CB 4.16Å; A262-P361 HydrophobicContact CB-CG 3.7Å; R263-P361 PolarHBondContact NE-O 2.99Å; R263-P361 PolarHBondContact NH2-O 2.84Å; R263-P361 VanDerWaalsContact NH2-O 3.09Å; P361-L400 HydrophobicContact CB-CD1 3.78Å; P361-L400 HydrophobicContact CB-CD2 4.19Å; P361-L400 HydrophobicContact CB-CG 4.04Å; P361-L401 WeakPolarHBondContact CA-O 3.41Å; P361-L401 VanDerWaalsContact CB-O 3.31Å; P361-L401 WeakPolarHBondContact CB-O 3.17Å; P361-V402 HydrophobicContact CB-CG1 4.23Å; P361-V402 HydrophobicContact CG-CG1 4.28Å
362	M	98.8	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150	-179.1	74.2	-168.1	71.9	0	0	111	V340 M352 E355 L356 V364 L401 A446 V447	V340-M362 HydrophobicContact CG2-SD 3.8Å; M352-M362 HydrophobicContact CB-SD 4.23Å; M352-M362 HydrophobicContact CG-SD 4.21Å; M352-M362 WeakPolarHBondContact O-CE 3.47Å; E355-M362 HydrophobicContact CB-CE 3.64Å; E355-M362 HydrophobicContact CB-SD 4.46Å; E355-M362 HydrophobicContact CG-CE 3.54Å; E355-M362 HydrophobicContact CG-SD 4.21Å; L356-M362 HydrophobicContact CB-CE 3.62Å; L356-M362 HydrophobicContact CD1-CE 4.19Å; L356-M362 HydrophobicContact CG-CE 4.5Å; L356-M362 VanDerWaalsContact N-CE 3.26Å; M362-V364 HydrophobicContact CG-CG1 4.04Å; M362-L401 HydrophobicContact CE-CD2 4.35Å; M362-L401 HydrophobicContact CG-CB 4.12Å; M362-L401 HydrophobicContact CG-CD2 4.22Å; M362-L401 PolarHBondContact N-O 2.78Å; M362-L401 PolarHBondContact O-N 2.81Å; M362-L401 HydrophobicContact SD-CD2 4.2Å; M362-A446 HydrophobicContact CG-CB 4.43Å; M362-A446 HydrophobicContact SD-CB 3.82Å; M362-V447 WeakPolarHBondContact CB-O 3.37Å
363	A	98.8	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.7	174.1	0	0	0	0	0	109.5	A255 M259 P296 A446 V447	A255-A363 HydrophobicContact CB-CB 4.14Å; M259-A363 HydrophobicContact SD-CB 4.45Å; P296-A363 HydrophobicContact CB-CB 3.58Å; P296-A363 HydrophobicContact CG-CB 3.9Å; A363-A446 CarbonylContact O-C 3.51Å; A363-A446 WeakPolarHBondContact O-CA 3.29Å; A363-V447 HydrophobicContact CB-CB 4.48Å; A363-V447 PolarHBondContact N-O 3.25Å; A363-V447 PolarHBondContact O-N 2.82Å
364	V	98.4	Very high	96.6	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.7	173.8	-59.9	0	0	0	0	108.3	M352 M362 A398 V399 L401 I442 A446	M352-V364 HydrophobicContact CE-CG1 4Å; M362-V364 HydrophobicContact CG-CG1 4.04Å; V364-A398 CarbonylContact O-C 3.56Å; V364-A398 WeakPolarHBondContact O-CA 3.14Å; V364-V399 HydrophobicContact CG2-CG2 3.63Å; V364-V399 PolarHBondContact N-O 3.48Å; V364-V399 PolarHBondContact O-N 3.43Å; V364-V399 VanDerWaalsContact O-O 3.07Å; V364-L401 HydrophobicContact CG1-CB 3.87Å; V364-L401 HydrophobicContact CG1-CD2 4.29Å; V364-L401 HydrophobicContact CG2-CB 4.17Å; V364-I442 HydrophobicContact CB-CD1 4.27Å; V364-I442 HydrophobicContact CG2-CD1 3.54Å; V364-I442 HydrophobicContact CG2-CG1 4.29Å; V364-A446 HydrophobicContact CG1-CB 3.83Å
365	A	95.4	Very high	96.7	Very high	21 Å²	21	18.1 Å²	18.1	17%	0.174	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151	169.7	0	0	0	0	0	110.4	H397 I442 I445	A365-H397 CarbonylContact C-O 3.57Å; A365-H397 WeakPolarHBondContact CA-O 3.48Å; A365-I442 WeakPolarHBondContact O-CA 3.3Å; A365-I445 HydrophobicContact CB-CG2 3.55Å
366	L	94.8	Very high	96.7	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.9	172.1	67.9	156.6	0	0	0	111	V368 F372 H397 V399 F431 I433 C440 I442	L366-V368 HydrophobicContact CG-CG2 4.38Å; L366-F372 HydrophobicContact CD1-CE1 4.37Å; L366-F372 HydrophobicContact CD1-CE2 4.16Å; L366-F372 HydrophobicContact CD1-CZ 4.04Å; L366-H397 HydrophobicContact CD2-CB 4.42Å; L366-H397 PolarHBondContact N-O 2.86Å; L366-H397 PolarHBondContact O-N 2.74Å; L366-V399 HydrophobicContact CD2-CB 4.42Å; L366-V399 HydrophobicContact CD2-CG1 4.02Å; L366-V399 HydrophobicContact CD2-CG2 3.49Å; L366-V399 VanDerWaalsContact CD2-CG2 3.49Å; L366-F431 HydrophobicContact CD1-CE2 4.34Å; L366-F431 HydrophobicContact CD1-CZ 4.28Å; L366-F431 HydrophobicContact CD2-CZ 4.07Å; L366-I433 HydrophobicContact CD1-CD1 4.22Å; L366-C440 CarbonylContact C-O 3.58Å; L366-C440 VanDerWaalsContact CA-O 3.28Å; L366-C440 WeakPolarHBondContact CA-O 3.29Å; L366-C440 HydrophobicContact CB-CB 4.33Å; L366-C440 WeakPolarHBondContact CB-O 3.19Å; L366-I442 HydrophobicContact CB-CB 4.41Å; L366-I442 HydrophobicContact CB-CD1 3.78Å; L366-I442 HydrophobicContact CD2-CD1 3.99Å; L366-I442 HydrophobicContact CG-CD1 4.38Å
367	E	93.1	Very high	96.7	Very high	18 Å²	18	20.8 Å²	20.8	8%	0.084	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.7	162.5	-72.5	-175.8	126.8	0	0	111.1	R207 Y369 L394 T395 C440	R207-E367 IonicContact CZ-OE1 3.59Å; R207-E367 IonicContact NE-OE1 2.74Å; R207-E367 IonicContact NH1-OE1 3.6Å; R207-E367 PolarHBondContact NH1-OE1 2.81Å; R207-E367 IonicContact NH1-OE2 2.76Å; R207-E367 IonicContact NH2-OE1 3.24Å; R207-E367 PolarHBondContact NH2-OE1 2.93Å; E367-Y369 HydrophobicContact CB-CD2 4.24Å; E367-Y369 HydrophobicContact CB-CE2 3.7Å; E367-Y369 PolarHBondContact OE2-OH 3.06Å; E367-L394 HydrophobicContact CB-CD1 3.66Å; E367-L394 HydrophobicContact CG-CD1 3.97Å; E367-L394 VanDerWaalsContact OE1-CD2 3.26Å; E367-L394 WeakPolarHBondContact OE1-CD2 3.39Å; E367-T395 VanDerWaalsContact CA-O 3.31Å; E367-T395 WeakPolarHBondContact CA-O 3.36Å; E367-C440 HydrophobicContact CB-CB 4.14Å; E367-C440 PolarHBondContact N-O 3.31Å
368	V	93.2	Very high	96.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.7	171	171	0	0	0	0	108.7	A197 L366 F372 M373 F392 T395 H397 W421	A197-V368 HydrophobicContact CB-CB 4.24Å; A197-V368 HydrophobicContact CB-CG1 3.95Å; L366-V368 HydrophobicContact CG-CG2 4.38Å; V368-F372 HydrophobicContact CB-CD1 4.37Å; V368-F372 HydrophobicContact CG1-CB 4.3Å; V368-F372 HydrophobicContact CG1-CD1 3.92Å; V368-F372 HydrophobicContact CG2-CD1 3.79Å; V368-F372 HydrophobicContact CG2-CE1 4.1Å; V368-M373 HydrophobicContact CG1-CG 4.28Å; V368-M373 HydrophobicContact CG1-SD 3.77Å; V368-F392 HydrophobicContact CG1-CE1 4.02Å; V368-F392 HydrophobicContact CG1-CZ 3.91Å; V368-T395 WeakPolarHBondContact CB-OG1 3.29Å; V368-T395 PolarHBondContact N-O 3.31Å; V368-T395 PolarHBondContact O-N 2.97Å; V368-H397 HydrophobicContact CG2-CB 3.43Å; V368-H397 VanDerWaalsContact CG2-CB 3.43Å; V368-W421 HydrophobicContact CG1-CH2 4.29Å; V368-W421 HydrophobicContact CG2-CH2 4.35Å
369	Y	93.2	Very high	96.7	Very high	53 Å²	53	15.1 Å²	15.1	21%	0.208	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-100.4	163.6	174	-70.8	-87	0	0	0	110.5	E367 D371 F372 H382 L394 C440	E367-Y369 HydrophobicContact CB-CD2 4.24Å; E367-Y369 HydrophobicContact CB-CE2 3.7Å; E367-Y369 PolarHBondContact OE2-OH 3.06Å; Y369-D371 WeakPolarHBondContact CB-OD1 3.24Å; Y369-D371 PolarHBondContact O-N 2.58Å; Y369-D371 VanDerWaalsContact O-N 3.16Å; Y369-F372 WeakPolarHBondContact O-CB 3.39Å; Y369-F372 PolarHBondContact O-N 3.32Å; Y369-F372 VanDerWaalsContact O-N 3.12Å; Y369-H382 WeakPolarHBondContact CB-ND1 3.39Å; Y369-H382 AromaticContact CD1-CD2 3.97Å; Y369-H382 AromaticContact CD1-CE1 3.43Å; Y369-H382 VanDerWaalsContact CD1-CE1 3.43Å; Y369-H382 WeakPolarHBondContact CD1-CE1 3.19Å; Y369-H382 AromaticContact CD1-ND1 3.88Å; Y369-H382 AromaticContact CD1-NE2 3.49Å; Y369-H382 WeakPolarHBondContact CD1-NE2 3.35Å; Y369-H382 HydrophobicContact CD2-CB 4.22Å; Y369-H382 AromaticContact CD2-CG 3.8Å; Y369-H382 AromaticContact CD2-ND1 3.86Å; Y369-H382 AromaticContact CE1-CD2 3.98Å; Y369-H382 AromaticContact CE1-NE2 3.73Å; Y369-H382 HydrophobicContact CE2-CB 4.48Å; Y369-H382 AromaticContact CG-CE1 3.49Å; Y369-H382 VanDerWaalsContact CG-CE1 3.49Å; Y369-H382 AromaticContact CG-CG 3.82Å; Y369-H382 AromaticContact CG-ND1 3.45Å; Y369-H382 AromaticContact CG-NE2 3.87Å; Y369-L394 HydrophobicContact CD1-CD1 3.85Å; Y369-L394 HydrophobicContact CD2-CD1 4.2Å; Y369-L394 HydrophobicContact CE1-CD1 3.55Å; Y369-L394 HydrophobicContact CE2-CD1 3.93Å; Y369-L394 HydrophobicContact CG-CD1 4.18Å; Y369-C440 HydrophobicContact CE2-CB 4.33Å
370	P	92.3	Very high	96.7	Very high	19 Å²	19	11.3 Å²	11.3	12%	0.123	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.6	-178.7	-22.9	31.3	0	0	0	113.9	F166 N374 D387 F392	F166-P370 HydrophobicContact CE1-CB 4.22Å; F166-P370 HydrophobicContact CZ-CB 4.1Å; P370-N374 PolarHBondContact O-ND2 3.47Å; P370-N374 VanDerWaalsContact O-ND2 3.11Å; P370-D387 HydrophobicContact CB-CB 4.11Å; P370-F392 HydrophobicContact CB-CB 4.29Å; P370-F392 HydrophobicContact CB-CD1 4.46Å; P370-F392 HydrophobicContact CG-CB 4.08Å; P370-F392 HydrophobicContact CG-CD1 4.04Å; P370-F392 HydrophobicContact CG-CG 4.47Å
371	D	95.9	Very high	96.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.2	179.2	58.1	-11.9	0	0	0	112.6	F166 I170 W177 Y369 M373 N374 Y380 H382 T383	F166-D371 HydrophobicContact CE1-CB 4.4Å; F166-D371 HydrophobicContact CZ-CB 4.01Å; I170-D371 HydrophobicContact CD1-CB 3.65Å; I170-D371 HydrophobicContact CG1-CB 4.18Å; W177-D371 HydrophobicContact CH2-CB 3.97Å; W177-D371 WeakPolarHBondContact CH2-O 3.47Å; W177-D371 HydrophobicContact CZ2-CB 4.19Å; Y369-D371 WeakPolarHBondContact CB-OD1 3.24Å; Y369-D371 PolarHBondContact O-N 2.58Å; Y369-D371 VanDerWaalsContact O-N 3.16Å; D371-M373 PolarHBondContact O-N 2.88Å; D371-N374 PolarHBondContact O-N 3.18Å; D371-Y380 PolarHBondContact OD1-OH 2.91Å; D371-H382 VanDerWaalsContact CG-ND1 3.32Å; D371-H382 IonicContact OD1-CE1 4Å; D371-H382 IonicContact OD1-ND1 2.95Å; D371-H382 PolarHBondContact OD1-ND1 3.39Å; D371-H382 IonicContact OD2-CE1 3.93Å; D371-H382 IonicContact OD2-CG 3.65Å; D371-H382 IonicContact OD2-ND1 2.98Å; D371-H382 PolarHBondContact OD2-ND1 2.99Å; D371-T383 WeakPolarHBondContact OD2-CB 3.21Å; D371-T383 PolarHBondContact OD2-N 2.8Å; D371-T383 PolarHBondContact OD2-OG1 3.29Å
372	F	97.3	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32.6	176.7	-172.1	-103.1	0	0	0	113.4	L366 V368 Y369 N374 Y375 Y380 W421 W425 F431	L366-F372 HydrophobicContact CD1-CE1 4.37Å; L366-F372 HydrophobicContact CD1-CE2 4.16Å; L366-F372 HydrophobicContact CD1-CZ 4.04Å; V368-F372 HydrophobicContact CB-CD1 4.37Å; V368-F372 HydrophobicContact CG1-CB 4.3Å; V368-F372 HydrophobicContact CG1-CD1 3.92Å; V368-F372 HydrophobicContact CG2-CD1 3.79Å; V368-F372 HydrophobicContact CG2-CE1 4.1Å; Y369-F372 WeakPolarHBondContact O-CB 3.39Å; Y369-F372 PolarHBondContact O-N 3.32Å; Y369-F372 VanDerWaalsContact O-N 3.12Å; F372-N374 PolarHBondContact O-N 3.17Å; F372-Y375 WeakPolarHBondContact O-CB 3.22Å; F372-Y375 PolarHBondContact O-N 3.27Å; F372-Y380 HydrophobicContact CB-CE2 3.93Å; F372-Y380 AromaticContact CD2-CD1 3.74Å; F372-Y380 HydrophobicContact CD2-CD1 3.74Å; F372-Y380 AromaticContact CD2-CD2 3.82Å; F372-Y380 HydrophobicContact CD2-CD2 3.82Å; F372-Y380 AromaticContact CD2-CE1 3.67Å; F372-Y380 HydrophobicContact CD2-CE1 3.67Å; F372-Y380 AromaticContact CD2-CE2 3.74Å; F372-Y380 HydrophobicContact CD2-CE2 3.74Å; F372-Y380 AromaticContact CD2-CG 3.83Å; F372-Y380 HydrophobicContact CD2-CG 3.83Å; F372-Y380 AromaticContact CD2-CZ 3.67Å; F372-Y380 HydrophobicContact CE2-CD1 4.06Å; F372-Y380 HydrophobicContact CE2-CE1 4.33Å; F372-Y380 HydrophobicContact CE2-CG 4.2Å; F372-Y380 HydrophobicContact CG-CE1 4.49Å; F372-Y380 HydrophobicContact CG-CE2 4.35Å; F372-W421 AromaticContact CD1-CH2 3.85Å; F372-W421 HydrophobicContact CD1-CH2 3.85Å; F372-W421 HydrophobicContact CD1-CZ3 4.05Å; F372-W421 AromaticContact CE1-CH2 3.76Å; F372-W421 HydrophobicContact CE1-CH2 3.76Å; F372-W421 AromaticContact CE1-CZ3 3.88Å; F372-W421 HydrophobicContact CE1-CZ3 3.88Å; F372-W425 HydrophobicContact CD1-CZ2 4.39Å; F372-W425 AromaticContact CE1-CH2 3.88Å; F372-W425 HydrophobicContact CE1-CH2 3.88Å; F372-W425 AromaticContact CE1-CZ2 3.87Å; F372-W425 HydrophobicContact CE1-CZ2 3.87Å; F372-W425 HydrophobicContact CE2-CH2 4.23Å; F372-W425 AromaticContact CZ-CH2 3.58Å; F372-W425 HydrophobicContact CZ-CH2 3.58Å; F372-W425 AromaticContact CZ-CZ2 3.98Å; F372-W425 HydrophobicContact CZ-CZ2 3.98Å; F372-F431 AromaticContact CE2-CD2 3.73Å; F372-F431 HydrophobicContact CE2-CD2 3.73Å; F372-F431 AromaticContact CE2-CE2 3.81Å; F372-F431 HydrophobicContact CE2-CE2 3.81Å; F372-F431 HydrophobicContact CE2-CG 4.15Å; F372-F431 HydrophobicContact CE2-CZ 4.29Å; F372-F431 HydrophobicContact CZ-CD1 4.03Å; F372-F431 AromaticContact CZ-CD2 3.88Å; F372-F431 HydrophobicContact CZ-CD2 3.88Å; F372-F431 AromaticContact CZ-CE1 3.91Å; F372-F431 HydrophobicContact CZ-CE1 3.91Å; F372-F431 AromaticContact CZ-CE2 3.78Å; F372-F431 HydrophobicContact CZ-CE2 3.78Å; F372-F431 AromaticContact CZ-CG 3.99Å; F372-F431 HydrophobicContact CZ-CG 3.99Å; F372-F431 AromaticContact CZ-CZ 3.77Å; F372-F431 HydrophobicContact CZ-CZ 3.77Å
373	M	94.9	Very high	96.4	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.025	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.7	-20.7	176.2	-63.3	-60.4	-70.1	0	0	112.8	H185 L193 A197 V368 D371 F392 W421	H185-M373 PolarHBondContact CE1-O 3.47Å; L193-M373 HydrophobicContact CB-CE 4.18Å; L193-M373 HydrophobicContact CD1-CE 4.41Å; L193-M373 HydrophobicContact CD2-CE 3.96Å; L193-M373 HydrophobicContact CG-CE 4.42Å; A197-M373 HydrophobicContact CB-SD 4.3Å; V368-M373 HydrophobicContact CG1-CG 4.28Å; V368-M373 HydrophobicContact CG1-SD 3.77Å; D371-M373 PolarHBondContact O-N 2.88Å; M373-F392 HydrophobicContact CE-CE2 4.34Å; M373-F392 HydrophobicContact CG-CE2 4.08Å; M373-F392 HydrophobicContact CG-CZ 4.1Å; M373-F392 HydrophobicContact SD-CE2 4.11Å; M373-F392 HydrophobicContact SD-CZ 4.03Å; M373-W421 HydrophobicContact SD-CH2 3.68Å; M373-W421 HydrophobicContact SD-CZ2 4.46Å; M373-W421 HydrophobicContact SD-CZ3 4.02Å
374	N	97.1	Very high	96.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-103.5	1.6	-178.7	-57.3	-75.8	0	0	0	112.9	I167 A179 V180 P370 D371 F372 K376	I167-N374 HydrophobicContact CG1-CB 4.29Å; A179-N374 CarbonylContact C-O 3.45Å; A179-N374 WeakPolarHBondContact CA-O 3.47Å; A179-N374 HydrophobicContact CB-CB 4Å; V180-N374 PolarHBondContact N-O 3.12Å; V180-N374 WeakPolarHBondContact O-CA 3.39Å; V180-N374 WeakPolarHBondContact O-CB 3.41Å; P370-N374 PolarHBondContact O-ND2 3.47Å; P370-N374 VanDerWaalsContact O-ND2 3.11Å; D371-N374 PolarHBondContact O-N 3.18Å; F372-N374 PolarHBondContact O-N 3.17Å; N374-K376 PolarHBondContact O-N 3.27Å
375	Y	98.6	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	130.8	-177.4	173.2	-90.3	0	0	0	112.6	W177 Y182 F372 G378 Y380 W425 E427 F431 R432	W177-Y375 HydrophobicContact CB-CD2 4.29Å; W177-Y375 HydrophobicContact CB-CE2 4.09Å; W177-Y375 HydrophobicContact CD2-CD2 4.31Å; W177-Y375 AromaticContact CE3-CD2 3.87Å; W177-Y375 HydrophobicContact CE3-CD2 3.87Å; Y182-Y375 WeakPolarHBondContact CE2-O 3.25Å; Y182-Y375 PolarHBondContact OH-O 3.15Å; F372-Y375 WeakPolarHBondContact O-CB 3.22Å; F372-Y375 PolarHBondContact O-N 3.27Å; Y375-G378 WeakPolarHBondContact CE2-O 3.3Å; Y375-G378 PolarHBondContact OH-N 2.92Å; Y375-G378 PolarHBondContact OH-O 2.71Å; Y375-Y380 HydrophobicContact CD2-CD2 4.37Å; Y375-Y380 HydrophobicContact CD2-CG 4.5Å; Y375-W425 AromaticContact CD1-CH2 3.81Å; Y375-W425 HydrophobicContact CD1-CH2 3.81Å; Y375-W425 HydrophobicContact CD1-CZ2 4.08Å; Y375-W425 HydrophobicContact CD1-CZ3 4.31Å; Y375-W425 HydrophobicContact CG-CH2 4.48Å; Y375-W425 HydrophobicContact CG-CZ2 4.49Å; Y375-E427 HydrophobicContact CE1-CG 4.18Å; Y375-E427 VanDerWaalsContact OH-CD 3.28Å; Y375-E427 PolarHBondContact OH-OE1 3.42Å; Y375-F431 HydrophobicContact CD1-CB 3.76Å; Y375-F431 HydrophobicContact CE1-CB 3.25Å; Y375-F431 HydrophobicContact CE2-CB 4.5Å; Y375-R432 PolarHBondContact OH-N 2.8Å
376	K	98.4	Very high	95.5	Very high	77 Å²	77	23.9 Å²	23.9	34%	0.335	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-36.1	173	-172.6	52.2	-177.5	162.3	0	114.7	K178 V180 Y182 N374 Q424 G426	K178-K376 WeakPolarHBondContact O-CB 3.13Å; K178-K376 PolarHBondContact O-N 3.41Å; V180-K376 HydrophobicContact CB-CB 4.3Å; V180-K376 HydrophobicContact CG1-CB 3.74Å; V180-K376 HydrophobicContact CG1-CG 3.9Å; V180-K376 HydrophobicContact CG2-CB 3.7Å; V180-K376 HydrophobicContact CG2-CD 3.96Å; V180-K376 HydrophobicContact CG2-CG 3.95Å; Y182-K376 HydrophobicContact CE1-CD 4.5Å; Y182-K376 WeakPolarHBondContact OH-CA 3.48Å; Y182-K376 VanDerWaalsContact OH-CD 3.3Å; Y182-K376 WeakPolarHBondContact OH-CD 3.32Å; N374-K376 PolarHBondContact O-N 3.27Å; K376-Q424 PolarHBondContact NZ-O 3.28Å; K376-G426 PolarHBondContact NZ-O 2.81Å; K376-G426 CarbonylContact O-C 3.54Å
377	G	98.2	Very high	95	Very high	15 Å²	15	24.4 Å²	24.4	16%	0.155	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	164.2	-177.4	0	0	0	0	0	112.8	W177 K178 E427	W177-G377 CarbonylContact C-O 3.5Å; W177-G377 WeakPolarHBondContact CA-O 3.31Å; W177-G377 WeakPolarHBondContact CB-O 3.48Å; K178-G377 PolarHBondContact N-O 3.03Å; G377-E427 WeakPolarHBondContact CA-OE1 3.32Å
378	G	98.1	Very high	94.5	Very high	16 Å²	16	29.1 Å²	29.1	17%	0.165	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-168.8	-171.2	0	0	0	0	0	112.5	S176 Y375 E427	S176-G378 CarbonylContact O-C 3.46Å; S176-G378 WeakPolarHBondContact O-CA 3.28Å; Y375-G378 WeakPolarHBondContact CE2-O 3.3Å; Y375-G378 PolarHBondContact OH-N 2.92Å; Y375-G378 PolarHBondContact OH-O 2.71Å; G378-E427 PolarHBondContact N-OE1 2.84Å
379	I	98.5	Very high	93.9	Very high	7 Å²	7	34 Å²	34	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	103.5	-178	-58.1	169.5	0	0	0	108.2	S176 C407 E412 Y414 R434	S176-I379 PolarHBondContact O-N 3.04Å; S176-I379 PolarHBondContact OG-O 3.28Å; I379-C407 HydrophobicContact CD1-CB 4Å; I379-E412 HydrophobicContact CD1-CB 4.04Å; I379-E412 HydrophobicContact CD1-CG 4.08Å; I379-E412 HydrophobicContact CG2-CG 4.25Å; I379-Y414 HydrophobicContact CD1-CD1 3.57Å; I379-Y414 HydrophobicContact CD1-CE1 4.36Å; I379-Y414 HydrophobicContact CD1-CG 4.19Å; I379-Y414 HydrophobicContact CG1-CD1 4.05Å; I379-Y414 HydrophobicContact CG1-CG 4.22Å; I379-R434 HydrophobicContact CG2-CG 3.99Å
380	Y	98.6	Very high	93.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137	179.6	173.7	-102.2	0	0	0	111.6	W177 D371 F372 Y375 R432 I433 R434	W177-Y380 HydrophobicContact CD2-CD2 4.11Å; W177-Y380 AromaticContact CE2-CD2 3.72Å; W177-Y380 HydrophobicContact CH2-CD2 4.28Å; W177-Y380 HydrophobicContact CH2-CE2 4.28Å; W177-Y380 AromaticContact CZ2-CD2 3.81Å; W177-Y380 HydrophobicContact CZ2-CD2 3.81Å; W177-Y380 AromaticContact CZ2-CE2 3.83Å; W177-Y380 HydrophobicContact CZ2-CE2 3.83Å; W177-Y380 AromaticContact NE1-CD2 3.94Å; D371-Y380 PolarHBondContact OD1-OH 2.91Å; F372-Y380 HydrophobicContact CB-CE2 3.93Å; F372-Y380 AromaticContact CD2-CD1 3.74Å; F372-Y380 HydrophobicContact CD2-CD1 3.74Å; F372-Y380 AromaticContact CD2-CD2 3.82Å; F372-Y380 HydrophobicContact CD2-CD2 3.82Å; F372-Y380 AromaticContact CD2-CE1 3.67Å; F372-Y380 HydrophobicContact CD2-CE1 3.67Å; F372-Y380 AromaticContact CD2-CE2 3.74Å; F372-Y380 HydrophobicContact CD2-CE2 3.74Å; F372-Y380 AromaticContact CD2-CG 3.83Å; F372-Y380 HydrophobicContact CD2-CG 3.83Å; F372-Y380 AromaticContact CD2-CZ 3.67Å; F372-Y380 HydrophobicContact CE2-CD1 4.06Å; F372-Y380 HydrophobicContact CE2-CE1 4.33Å; F372-Y380 HydrophobicContact CE2-CG 4.2Å; F372-Y380 HydrophobicContact CG-CE1 4.49Å; F372-Y380 HydrophobicContact CG-CE2 4.35Å; Y375-Y380 HydrophobicContact CD2-CD2 4.37Å; Y375-Y380 HydrophobicContact CD2-CG 4.5Å; Y380-R432 VanDerWaalsContact CB-O 3.28Å; Y380-R432 WeakPolarHBondContact CB-O 3.41Å; Y380-R432 PolarHBondContact N-O 2.96Å; Y380-I433 HydrophobicContact CD1-CB 4.36Å; Y380-I433 HydrophobicContact CD1-CD1 3.75Å; Y380-I433 HydrophobicContact CD1-CG1 3.83Å; Y380-I433 HydrophobicContact CE1-CD1 4.12Å; Y380-I433 WeakPolarHBondContact O-CA 3.47Å; Y380-R434 PolarHBondContact O-N 3.36Å
381	H	97.6	Very high	92.4	Very high	27 Å²	27	33.5 Å²	33.5	13%	0.125	22%	0.218	C	C	.	.			trans	-144.2	145	160.3	70.6	-88.7	0	0	0	107.8	S176 W177 T383 R434	S176-H381 PolarHBondContact OG-CE1 3Å; S176-H381 PolarHBondContact OG-ND1 3.44Å; W177-H381 AromaticContact CD1-ND1 3.89Å; W177-H381 AromaticContact NE1-ND1 3.99Å; W177-H381 PolarHBondContact NE1-O 2.99Å; H381-T383 PolarHBondContact O-N 2.96Å; H381-R434 HydrophobicContact CB-CG 4.05Å; H381-R434 VanDerWaalsContact CB-CZ 3.45Å; H381-R434 PolarHBondContact CD2-NH1 3.46Å; H381-R434 VanDerWaalsContact CG-NH1 3.27Å; H381-R434 PolarHBondContact ND1-NH2 3.14Å
382	H	96.5	Very high	91.3	Very high	46 Å²	46	34.7 Å²	34.7	21%	0.213	22%	0.223	C	C	.	.			trans	-66.3	132	178.5	180	49.7	0	0	0	110.5	Y369 D371 G384 E439	Y369-H382 WeakPolarHBondContact CB-ND1 3.39Å; Y369-H382 AromaticContact CD1-CD2 3.97Å; Y369-H382 AromaticContact CD1-CE1 3.43Å; Y369-H382 VanDerWaalsContact CD1-CE1 3.43Å; Y369-H382 WeakPolarHBondContact CD1-CE1 3.19Å; Y369-H382 AromaticContact CD1-ND1 3.88Å; Y369-H382 AromaticContact CD1-NE2 3.49Å; Y369-H382 WeakPolarHBondContact CD1-NE2 3.35Å; Y369-H382 HydrophobicContact CD2-CB 4.22Å; Y369-H382 AromaticContact CD2-CG 3.8Å; Y369-H382 AromaticContact CD2-ND1 3.86Å; Y369-H382 AromaticContact CE1-CD2 3.98Å; Y369-H382 AromaticContact CE1-NE2 3.73Å; Y369-H382 HydrophobicContact CE2-CB 4.48Å; Y369-H382 AromaticContact CG-CE1 3.49Å; Y369-H382 VanDerWaalsContact CG-CE1 3.49Å; Y369-H382 AromaticContact CG-CG 3.82Å; Y369-H382 AromaticContact CG-ND1 3.45Å; Y369-H382 AromaticContact CG-NE2 3.87Å; D371-H382 VanDerWaalsContact CG-ND1 3.32Å; D371-H382 IonicContact OD1-CE1 4Å; D371-H382 IonicContact OD1-ND1 2.95Å; D371-H382 PolarHBondContact OD1-ND1 3.39Å; D371-H382 IonicContact OD2-CE1 3.93Å; D371-H382 IonicContact OD2-CG 3.65Å; D371-H382 IonicContact OD2-ND1 2.98Å; D371-H382 PolarHBondContact OD2-ND1 2.99Å; H382-G384 PolarHBondContact CE1-N 2.96Å; H382-G384 VanDerWaalsContact NE2-CA 3.34Å; H382-G384 WeakPolarHBondContact NE2-CA 3.2Å; H382-G384 PolarHBondContact NE2-N 3.29Å; H382-E439 PolarHBondContact N-OE1 3.48Å
383	T	94.8	Very high	90	Very high	33 Å²	33	38.4 Å²	38.4	20%	0.202	24%	0.241	C	C	.	.			trans	-83.9	-15	-174.4	56.9	0	0	0	0	113.9	I170 Q174 W177 D371 H381 L385	I170-T383 HydrophobicContact CG2-CG2 4.34Å; Q174-T383 HydrophobicContact CG-CG2 3.85Å; W177-T383 HydrophobicContact CZ2-CG2 3.93Å; D371-T383 WeakPolarHBondContact OD2-CB 3.21Å; D371-T383 PolarHBondContact OD2-N 2.8Å; D371-T383 PolarHBondContact OD2-OG1 3.29Å; H381-T383 PolarHBondContact O-N 2.96Å; T383-L385 PolarHBondContact O-N 3.1Å; T383-L385 WeakPolarHBondContact OG1-CB 3.4Å; T383-L385 WeakPolarHBondContact OG1-CG 3.3Å; T383-L385 PolarHBondContact OG1-N 2.63Å
384	G	93.4	Very high	89	Confident	60 Å²	60	40.9 Å²	40.9	62%	0.619	25%	0.254	S	S	*	.			trans	74.8	1	-168.8	0	0	0	0	0	113.9	H382	H382-G384 PolarHBondContact CE1-N 2.96Å; H382-G384 VanDerWaalsContact NE2-CA 3.34Å; H382-G384 WeakPolarHBondContact NE2-CA 3.2Å; H382-G384 PolarHBondContact NE2-N 3.29Å
385	L	92.7	Very high	88.1	Confident	39 Å²	39	40.9 Å²	40.9	20%	0.204	25%	0.253	C	S	.	.			trans	-76.6	151.4	176.7	-60.7	176	0	0	0	111	F166 L169 I170 V173 T383	F166-L385 HydrophobicContact CE2-CB 3.68Å; F166-L385 HydrophobicContact CZ-CB 4.44Å; L169-L385 HydrophobicContact CD2-CD1 4.09Å; L169-L385 HydrophobicContact CD2-CD2 3.98Å; L169-L385 HydrophobicContact CG-CD1 3.88Å; L169-L385 HydrophobicContact CG-CD2 4.39Å; I170-L385 HydrophobicContact CB-CD1 4.48Å; I170-L385 HydrophobicContact CG1-CD1 3.81Å; V173-L385 HydrophobicContact CG2-CD1 3.75Å; V173-L385 HydrophobicContact CG2-CG 4.47Å; T383-L385 PolarHBondContact O-N 3.1Å; T383-L385 WeakPolarHBondContact OG1-CB 3.4Å; T383-L385 WeakPolarHBondContact OG1-CG 3.3Å; T383-L385 PolarHBondContact OG1-N 2.63Å
386	A	87.9	Confident	87.4	Confident	82 Å²	82	42 Å²	42	68%	0.678	26%	0.26	S	S	*	.			trans	-118.4	142.9	175.3	0	0	0	0	0	110.5	F166	F166-A386 VanDerWaalsContact CE2-C 3.44Å; F166-A386 WeakPolarHBondContact CE2-O 3.07Å
387	D	85.6	Confident	87.2	Confident	14 Å²	14	38.4 Å²	38.4	8%	0.075	24%	0.244	C	C	.	.			trans	-86.4	110.4	170.9	-172.5	-18.5	0	0	0	108.8	N163 F166 P370 I389 N390	N163-D387 PolarHBondContact ND2-OD1 3.26Å; F166-D387 HydrophobicContact CD1-CB 3.97Å; F166-D387 HydrophobicContact CD2-CB 4.34Å; F166-D387 HydrophobicContact CE1-CB 3.95Å; F166-D387 HydrophobicContact CE2-CB 4.31Å; F166-D387 HydrophobicContact CG-CB 4.17Å; F166-D387 HydrophobicContact CZ-CB 4.13Å; P370-D387 HydrophobicContact CB-CB 4.11Å; D387-I389 VanDerWaalsContact C-N 3.26Å; D387-I389 PolarHBondContact O-N 3.1Å; D387-I389 PolarHBondContact OD1-N 3.49Å; D387-N390 HydrophobicContact CB-CB 4.46Å; D387-N390 VanDerWaalsContact O-O 3.08Å; D387-N390 PolarHBondContact OD1-N 3.02Å; D387-N390 VanDerWaalsContact OD1-N 3.14Å; D387-N390 WeakPolarHBondContact OD2-CB 3.32Å; D387-N390 PolarHBondContact OD2-ND2 2.82Å
388	S	81.4	Confident	87.2	Confident	118 Å²	118	38 Å²	38	83%	0.825	24%	0.239	S	C	*	.	S	Bend	trans	-74.5	-15.4	-178.8	57.8	0	0	0	0	113.8
389	I	80.6	Confident	87.2	Confident	101 Å²	101	37.3 Å²	37.3	52%	0.518	23%	0.231	S	C	.	.	S	Bend	trans	-95.6	-39.3	-176.1	-59.1	-177.7	0	0	0	110.5	N163 D387	N163-I389 HydrophobicContact CB-CB 4.45Å; N163-I389 HydrophobicContact CB-CD1 4.19Å; N163-I389 WeakPolarHBondContact ND2-CD1 3.39Å; N163-I389 WeakPolarHBondContact ND2-CG1 3.3Å; D387-I389 VanDerWaalsContact C-N 3.26Å; D387-I389 PolarHBondContact O-N 3.1Å; D387-I389 PolarHBondContact OD1-N 3.49Å
390	N	79.1	Confident	87.3	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.043	23%	0.231	C	C	.	.	S	Bend	trans	-103.5	111.2	178.1	-63.6	-62.7	0	0	0	109.7	Y160 K161 L190 D387 F392	Y160-N390 HydrophobicContact CD2-CB 4.46Å; Y160-N390 WeakPolarHBondContact CD2-OD1 3.4Å; Y160-N390 HydrophobicContact CE2-CB 4.08Å; Y160-N390 VanDerWaalsContact CE2-CG 3.42Å; Y160-N390 VanDerWaalsContact CE2-ND2 3.3Å; Y160-N390 WeakPolarHBondContact CE2-ND2 3.37Å; K161-N390 PolarHBondContact O-ND2 3.01Å; K161-N390 PolarHBondContact O-OD1 2.82Å; L190-N390 HydrophobicContact CD2-CB 4.04Å; D387-N390 HydrophobicContact CB-CB 4.46Å; D387-N390 VanDerWaalsContact O-O 3.08Å; D387-N390 PolarHBondContact OD1-N 3.02Å; D387-N390 VanDerWaalsContact OD1-N 3.14Å; D387-N390 WeakPolarHBondContact OD2-CB 3.32Å; D387-N390 PolarHBondContact OD2-ND2 2.82Å; N390-F392 PolarHBondContact O-N 3.01Å
391	P	76.1	Confident	87.3	Confident	54 Å²	54	37.1 Å²	37.1	35%	0.351	23%	0.231	S	C	.	.			trans	-75	60.6	179.3	34.2	-37.7	0	0	0	110.5	L155 L190 E393	L155-P391 HydrophobicContact CB-CG 4.31Å; L155-P391 HydrophobicContact CD1-CG 4.07Å; L190-P391 HydrophobicContact CD1-CG 4.3Å; P391-E393 PolarHBondContact O-N 3.08Å
392	F	72.9	Confident	87.3	Confident	26 Å²	26	35.9 Å²	35.9	11%	0.114	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-75.6	121.5	-179.9	-170.8	-85	0	0	0	109.4	H194 A197 V368 P370 M373 N390 T395	H194-F392 AromaticContact CE1-CD2 3.77Å; H194-F392 WeakPolarHBondContact NE2-CA 3.39Å; H194-F392 AromaticContact NE2-CD2 3.94Å; A197-F392 HydrophobicContact CB-CE2 4.37Å; A197-F392 HydrophobicContact CB-CZ 3.78Å; V368-F392 HydrophobicContact CG1-CE1 4.02Å; V368-F392 HydrophobicContact CG1-CZ 3.91Å; P370-F392 HydrophobicContact CB-CB 4.29Å; P370-F392 HydrophobicContact CB-CD1 4.46Å; P370-F392 HydrophobicContact CG-CB 4.08Å; P370-F392 HydrophobicContact CG-CD1 4.04Å; P370-F392 HydrophobicContact CG-CG 4.47Å; M373-F392 HydrophobicContact CE-CE2 4.34Å; M373-F392 HydrophobicContact CG-CE2 4.08Å; M373-F392 HydrophobicContact CG-CZ 4.1Å; M373-F392 HydrophobicContact SD-CE2 4.11Å; M373-F392 HydrophobicContact SD-CZ 4.03Å; N390-F392 PolarHBondContact O-N 3.01Å; F392-T395 HydrophobicContact CE1-CG2 4.37Å; F392-T395 HydrophobicContact CZ-CG2 4.15Å
393	E	69.7	Low	87.5	Confident	78 Å²	78	33.7 Å²	33.7	36%	0.364	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-87	146.7	175.6	-63	-171	-179.5	0	0	110.1	H194 P391 T395	H194-E393 PolarHBondContact NE2-N 3Å; P391-E393 PolarHBondContact O-N 3.08Å; E393-T395 VanDerWaalsContact O-CG2 3.32Å; E393-T395 WeakPolarHBondContact O-CG2 3.28Å; E393-T395 PolarHBondContact O-N 2.84Å
394	L	74.1	Confident	87.6	Confident	57 Å²	57	32.1 Å²	32.1	30%	0.298	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-52.1	129	169.9	-177.7	61.2	0	0	0	110.3	A201 E367 Y369	A201-L394 HydrophobicContact CB-CB 4.44Å; A201-L394 HydrophobicContact CB-CG 4Å; A201-L394 WeakPolarHBondContact CB-O 3.22Å; A201-L394 PolarHBondContact N-O 2.66Å; E367-L394 HydrophobicContact CB-CD1 3.66Å; E367-L394 HydrophobicContact CG-CD1 3.97Å; E367-L394 VanDerWaalsContact OE1-CD2 3.26Å; E367-L394 WeakPolarHBondContact OE1-CD2 3.39Å; Y369-L394 HydrophobicContact CD1-CD1 3.85Å; Y369-L394 HydrophobicContact CD2-CD1 4.2Å; Y369-L394 HydrophobicContact CE1-CD1 3.55Å; Y369-L394 HydrophobicContact CE2-CD1 3.93Å; Y369-L394 HydrophobicContact CG-CD1 4.18Å
395	T	76.5	Confident	87.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	160.7	-177	51.5	0	0	0	0	111	H194 A197 G199 E367 V368 F392 E393	H194-T395 HydrophobicContact CB-CG2 4.48Å; A197-T395 HydrophobicContact CB-CG2 4.32Å; A197-T395 VanDerWaalsContact CB-OG1 3.3Å; A197-T395 WeakPolarHBondContact CB-OG1 3.38Å; A197-T395 WeakPolarHBondContact O-CB 3.26Å; A197-T395 PolarHBondContact O-OG1 3.12Å; G199-T395 WeakPolarHBondContact O-CA 3.25Å; G199-T395 WeakPolarHBondContact O-CB 3.41Å; G199-T395 WeakPolarHBondContact O-CG2 3.46Å; E367-T395 VanDerWaalsContact CA-O 3.31Å; E367-T395 WeakPolarHBondContact CA-O 3.36Å; V368-T395 WeakPolarHBondContact CB-OG1 3.29Å; V368-T395 PolarHBondContact N-O 3.31Å; V368-T395 PolarHBondContact O-N 2.97Å; F392-T395 HydrophobicContact CE1-CG2 4.37Å; F392-T395 HydrophobicContact CZ-CG2 4.15Å; E393-T395 VanDerWaalsContact O-CG2 3.32Å; E393-T395 WeakPolarHBondContact O-CG2 3.28Å; E393-T395 PolarHBondContact O-N 2.84Å
396	N	84.4	Confident	88.1	Confident	25 Å²	25	32.5 Å²	32.5	13%	0.134	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.2	176.5	55.8	-21.3	0	0	0	110.6	D21 A197 G198 G199	D21-N396 PolarHBondContact OD2-ND2 2.82Å; A197-N396 CarbonylContact O-C 3.42Å; G198-N396 WeakPolarHBondContact CA-O 3.29Å; G198-N396 PolarHBondContact O-OD1 3.03Å; G199-N396 PolarHBondContact O-OD1 3.25Å
397	H	95.4	Very high	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.6	-174.3	-169.1	40	0	0	0	111.8	A197 C251 A365 L366 V368 V399 N419 W421	A197-H397 VanDerWaalsContact O-CB 3.31Å; A197-H397 WeakPolarHBondContact O-CB 3.34Å; C251-H397 WeakPolarHBondContact CB-CE1 3.38Å; C251-H397 WeakPolarHBondContact CB-ND1 3.31Å; A365-H397 CarbonylContact C-O 3.57Å; A365-H397 WeakPolarHBondContact CA-O 3.48Å; L366-H397 HydrophobicContact CD2-CB 4.42Å; L366-H397 PolarHBondContact N-O 2.86Å; L366-H397 PolarHBondContact O-N 2.74Å; V368-H397 HydrophobicContact CG2-CB 3.43Å; V368-H397 VanDerWaalsContact CG2-CB 3.43Å; H397-V399 WeakPolarHBondContact CD2-CG1 3.45Å; H397-V399 WeakPolarHBondContact NE2-CG1 3.23Å; H397-N419 PolarHBondContact NE2-OD1 3.26Å; H397-W421 AromaticContact CD2-CZ2 3.58Å; H397-W421 AromaticContact CE1-CE2 3.8Å; H397-W421 AromaticContact CE1-CZ2 3.91Å; H397-W421 AromaticContact CE1-NE1 3.34Å; H397-W421 PolarHBondContact CE1-NE1 3.28Å; H397-W421 VanDerWaalsContact CE1-NE1 3.34Å; H397-W421 AromaticContact NE2-CE2 3.44Å; H397-W421 AromaticContact NE2-CZ2 3.45Å; H397-W421 WeakPolarHBondContact NE2-CZ2 3.39Å; H397-W421 AromaticContact NE2-NE1 3.38Å; H397-W421 PolarHBondContact NE2-NE1 2.7Å
398	A	97.7	Very high	88.6	Confident	6 Å²	6	37.2 Å²	37.2	5%	0.05	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132	174.3	0	0	0	0	0	111.5	C251 A255 P296 V364	C251-A398 HydrophobicContact CB-CB 4.31Å; C251-A398 WeakPolarHBondContact CB-O 3.46Å; A255-A398 HydrophobicContact CB-CB 4.07Å; P296-A398 HydrophobicContact CG-CB 4.07Å; V364-A398 CarbonylContact O-C 3.56Å; V364-A398 WeakPolarHBondContact O-CA 3.14Å
399	V	98.8	Very high	89	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	172.7	-174.9	-66.4	0	0	0	0	110.3	V364 L366 H397 V417 F431 I442	V364-V399 HydrophobicContact CG2-CG2 3.63Å; V364-V399 PolarHBondContact N-O 3.48Å; V364-V399 PolarHBondContact O-N 3.43Å; V364-V399 VanDerWaalsContact O-O 3.07Å; L366-V399 HydrophobicContact CD2-CB 4.42Å; L366-V399 HydrophobicContact CD2-CG1 4.02Å; L366-V399 HydrophobicContact CD2-CG2 3.49Å; L366-V399 VanDerWaalsContact CD2-CG2 3.49Å; H397-V399 WeakPolarHBondContact CD2-CG1 3.45Å; H397-V399 WeakPolarHBondContact NE2-CG1 3.23Å; V399-V417 HydrophobicContact CB-CG1 3.68Å; V399-V417 HydrophobicContact CG2-CG1 3.34Å; V399-F431 HydrophobicContact CG1-CE1 4.28Å; V399-F431 HydrophobicContact CG2-CE1 4.47Å; V399-F431 HydrophobicContact CG2-CZ 4.2Å; V399-I442 HydrophobicContact CG2-CD1 4.31Å
400	L	98.9	Very high	89.6	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.7	-176.9	178.1	75	0	0	0	111.3	M259 P361 V402 V417 K418	M259-L400 VanDerWaalsContact CA-CD1 3.46Å; M259-L400 HydrophobicContact CB-CD1 3.6Å; P361-L400 HydrophobicContact CB-CD1 3.78Å; P361-L400 HydrophobicContact CB-CD2 4.19Å; P361-L400 HydrophobicContact CB-CG 4.04Å; L400-V402 HydrophobicContact CD2-CG1 3.85Å; L400-V402 HydrophobicContact CG-CG1 3.92Å; L400-V417 CarbonylContact O-C 3.54Å; L400-V417 WeakPolarHBondContact O-CA 3.26Å; L400-V417 WeakPolarHBondContact O-CG1 3.3Å; L400-K418 HydrophobicContact CB-CB 4.14Å; L400-K418 HydrophobicContact CD2-CB 4.4Å; L400-K418 HydrophobicContact CD2-CD 3.93Å; L400-K418 PolarHBondContact N-O 2.64Å; L400-K418 VanDerWaalsContact N-O 3.11Å; L400-K418 PolarHBondContact O-N 2.79Å
401	L	98.9	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123	173.5	-178.9	67	0	0	0	110.2	M352 L356 P361 M362 V364 W415 V417	M352-L401 HydrophobicContact CE-CD2 3.7Å; L356-L401 HydrophobicContact CD1-CG 4.37Å; L356-L401 WeakPolarHBondContact CD1-O 3.47Å; L356-L401 HydrophobicContact CD2-CD2 4.42Å; L356-L401 HydrophobicContact CD2-CG 4.31Å; P361-L401 WeakPolarHBondContact CA-O 3.41Å; P361-L401 VanDerWaalsContact CB-O 3.31Å; P361-L401 WeakPolarHBondContact CB-O 3.17Å; M362-L401 HydrophobicContact CE-CD2 4.35Å; M362-L401 HydrophobicContact CG-CB 4.12Å; M362-L401 HydrophobicContact CG-CD2 4.22Å; M362-L401 PolarHBondContact N-O 2.78Å; M362-L401 PolarHBondContact O-N 2.81Å; M362-L401 HydrophobicContact SD-CD2 4.2Å; V364-L401 HydrophobicContact CG1-CB 3.87Å; V364-L401 HydrophobicContact CG1-CD2 4.29Å; V364-L401 HydrophobicContact CG2-CB 4.17Å; L401-W415 HydrophobicContact CD1-CB 3.67Å; L401-W415 HydrophobicContact CD1-CD2 3.82Å; L401-W415 HydrophobicContact CD1-CE3 3.57Å; L401-W415 HydrophobicContact CD1-CG 3.91Å; L401-W415 HydrophobicContact CD1-CZ3 4.43Å; L401-W415 HydrophobicContact CD2-CD2 4.28Å; L401-W415 HydrophobicContact CD2-CE3 3.85Å; L401-W415 HydrophobicContact CD2-CH2 4.4Å; L401-W415 HydrophobicContact CD2-CZ3 3.91Å; L401-W415 HydrophobicContact CG-CE3 4.21Å; L401-V417 HydrophobicContact CD1-CG2 3.98Å
402	V	98.9	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-13.2	-173.9	-60.6	0	0	0	0	114.3	W230 V239 P361 L400 I416 K418 Y430	W230-V402 VanDerWaalsContact CD1-O 3.26Å; W230-V402 PolarHBondContact N-O 3.48Å; V239-V402 HydrophobicContact CG1-CG1 4.1Å; V239-V402 HydrophobicContact CG2-CB 4.23Å; V239-V402 HydrophobicContact CG2-CG1 4.04Å; P361-V402 HydrophobicContact CB-CG1 4.23Å; P361-V402 HydrophobicContact CG-CG1 4.28Å; L400-V402 HydrophobicContact CD2-CG1 3.85Å; L400-V402 HydrophobicContact CG-CG1 3.92Å; V402-I416 HydrophobicContact CG2-CB 4.2Å; V402-I416 HydrophobicContact CG2-CG2 3.76Å; V402-I416 WeakPolarHBondContact CG2-O 3.21Å; V402-I416 PolarHBondContact N-O 3.45Å; V402-K418 HydrophobicContact CG1-CB 4.05Å; V402-Y430 HydrophobicContact CG2-CD1 4.07Å; V402-Y430 HydrophobicContact CG2-CE1 3.88Å
403	G	98.8	Very high	92.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	178.6	-177.3	0	0	0	0	0	113.4	W228 I416	W228-G403 CarbonylContact O-C 3.57Å; W228-G403 WeakPolarHBondContact O-CA 3.41Å; G403-I416 PolarHBondContact N-O 3.16Å; G403-I416 PolarHBondContact O-N 3.15Å
404	Y	98.8	Very high	93.8	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165	169.9	61.7	-99.4	0	0	0	110.9	P225 E226 W228 M353 L356 V357 Y414 W415	P225-Y404 WeakPolarHBondContact O-CE2 3.28Å; P225-Y404 PolarHBondContact O-OH 2.8Å; E226-Y404 WeakPolarHBondContact O-CD2 3.49Å; E226-Y404 WeakPolarHBondContact O-CE2 3.3Å; W228-Y404 HydrophobicContact CB-CD1 4.07Å; W228-Y404 HydrophobicContact CB-CE1 3.62Å; W228-Y404 HydrophobicContact CB-CE2 4.21Å; W228-Y404 HydrophobicContact CG-CE1 4.41Å; W228-Y404 PolarHBondContact N-O 2.88Å; W228-Y404 PolarHBondContact O-N 3.21Å; W228-Y404 VanDerWaalsContact O-O 3.07Å; M353-Y404 HydrophobicContact CB-CE1 4.3Å; M353-Y404 HydrophobicContact CE-CD2 4.12Å; M353-Y404 HydrophobicContact CE-CE1 4.01Å; M353-Y404 HydrophobicContact CE-CE2 3.53Å; M353-Y404 VanDerWaalsContact CE-CZ 3.49Å; M353-Y404 HydrophobicContact CG-CD1 4.23Å; M353-Y404 HydrophobicContact CG-CE1 4.14Å; L356-Y404 HydrophobicContact CD2-CD1 3.79Å; L356-Y404 HydrophobicContact CD2-CE1 4.3Å; V357-Y404 HydrophobicContact CG2-CE1 3.76Å; V357-Y404 WeakPolarHBondContact CG2-OH 3.41Å; Y404-Y414 VanDerWaalsContact CA-O 3.29Å; Y404-Y414 WeakPolarHBondContact CA-O 3.49Å; Y404-Y414 WeakPolarHBondContact CB-O 3.43Å; Y404-W415 HydrophobicContact CD1-CE3 4.43Å; Y404-W415 AromaticContact CD1-CZ3 3.8Å; Y404-W415 HydrophobicContact CD1-CZ3 3.8Å; Y404-W415 HydrophobicContact CG-CE3 4.42Å; Y404-W415 HydrophobicContact CG-CZ3 4.1Å
405	G	98.1	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	-167.2	170.4	0	0	0	0	0	113	Y414 R435	G405-Y414 PolarHBondContact N-O 2.72Å; G405-Y414 PolarHBondContact O-N 3.45Å; G405-R435 PolarHBondContact O-NH2 2.79Å
406	R	96.6	Very high	96.1	Very high	107 Å²	107	38.7 Å²	38.7	40%	0.404	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.5	173.8	-166.2	171.5	-149.3	-126.4	-3.8	109.5	E226 H227 H408 G411 E412 K413	E226-R406 HydrophobicContact CG-CB 4.29Å; E226-R406 WeakPolarHBondContact OE1-CD 3.48Å; H227-R406 PolarHBondContact CE1-N 2.96Å; H227-R406 PolarHBondContact CE1-O 3.37Å; R406-H408 PolarHBondContact O-N 2.58Å; R406-G411 WeakPolarHBondContact CG-O 3.34Å; R406-G411 PolarHBondContact NE-O 3.31Å; R406-G411 PolarHBondContact NH2-O 3.26Å; R406-E412 CarbonylContact C-O 3.55Å; R406-E412 WeakPolarHBondContact CA-O 3.45Å; R406-K413 HydrophobicContact CG-CG 4.48Å
407	C	93.6	Very high	96.8	Very high	34 Å²	34	37.5 Å²	37.5	23%	0.23	18%	0.183	C	C	.	.			trans	-70.2	118.4	175.9	179.6	0	0	0	0	109.3	I379 K409 T410 G411 E412	I379-C407 HydrophobicContact CD1-CB 4Å; C407-K409 PolarHBondContact O-N 3.25Å; C407-K409 VanDerWaalsContact O-N 3.16Å; C407-T410 WeakPolarHBondContact CB-OG1 3.47Å; C407-T410 PolarHBondContact O-N 3.04Å; C407-T410 PolarHBondContact SG-OG1 3.12Å; C407-G411 VanDerWaalsContact O-CA 3.26Å; C407-G411 WeakPolarHBondContact O-CA 3.35Å; C407-G411 PolarHBondContact O-N 3.02Å; C407-E412 HydrophobicContact CB-CB 4.47Å; C407-E412 PolarHBondContact N-O 3.04Å
408	H	91.1	Very high	96.9	Very high	161 Å²	161	38.3 Å²	38.3	75%	0.745	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.4	179.3	-62.7	-66.2	0	0	0	113.6	H227 R406	H227-H408 AromaticContact CE1-CE1 3.64Å; H227-H408 AromaticContact CE1-NE2 3.59Å; H227-H408 AromaticContact NE2-CE1 3.29Å; H227-H408 PolarHBondContact NE2-CE1 3.17Å; H227-H408 VanDerWaalsContact NE2-CE1 3.29Å; H227-H408 AromaticContact NE2-NE2 3.67Å; R406-H408 PolarHBondContact O-N 2.58Å
409	K	90.8	Very high	97	Very high	200 Å²	200	38.3 Å²	38.3	87%	0.87	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-44.4	-179.9	-63.5	-175.2	-179.2	-179.2	0	112.9	C407	C407-K409 PolarHBondContact O-N 3.25Å; C407-K409 VanDerWaalsContact O-N 3.16Å
410	T	92.3	Very high	97	Very high	96 Å²	96	38.5 Å²	38.5	59%	0.589	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-14.1	-172.7	62.5	0	0	0	0	113.4	C407 E412	C407-T410 WeakPolarHBondContact CB-OG1 3.47Å; C407-T410 PolarHBondContact O-N 3.04Å; C407-T410 PolarHBondContact SG-OG1 3.12Å; T410-E412 PolarHBondContact O-N 3.3Å; T410-E412 VanDerWaalsContact OG1-CB 3.3Å; T410-E412 WeakPolarHBondContact OG1-CB 3.48Å; T410-E412 PolarHBondContact OG1-N 3.16Å
411	G	94.3	Very high	96.9	Very high	22 Å²	22	38.4 Å²	38.4	23%	0.227	19%	0.186	C	C	.	.			trans	70.9	2.8	-171.3	0	0	0	0	0	114.1	R406 C407 K413	R406-G411 WeakPolarHBondContact CG-O 3.34Å; R406-G411 PolarHBondContact NE-O 3.31Å; R406-G411 PolarHBondContact NH2-O 3.26Å; C407-G411 VanDerWaalsContact O-CA 3.26Å; C407-G411 WeakPolarHBondContact O-CA 3.35Å; C407-G411 PolarHBondContact O-N 3.02Å; G411-K413 PolarHBondContact O-N 3.23Å
412	E	95.6	Very high	96.9	Very high	43 Å²	43	38.9 Å²	38.9	20%	0.201	19%	0.191	C	C	.	.			trans	-70.9	126.5	-176.9	-170.1	167	-145.7	0	0	110.8	I379 R406 C407 T410 R434	I379-E412 HydrophobicContact CD1-CB 4.04Å; I379-E412 HydrophobicContact CD1-CG 4.08Å; I379-E412 HydrophobicContact CG2-CG 4.25Å; R406-E412 CarbonylContact C-O 3.55Å; R406-E412 WeakPolarHBondContact CA-O 3.45Å; C407-E412 HydrophobicContact CB-CB 4.47Å; C407-E412 PolarHBondContact N-O 3.04Å; T410-E412 PolarHBondContact O-N 3.3Å; T410-E412 VanDerWaalsContact OG1-CB 3.3Å; T410-E412 WeakPolarHBondContact OG1-CB 3.48Å; T410-E412 PolarHBondContact OG1-N 3.16Å; E412-R434 IonicContact OE1-CZ 3.69Å; E412-R434 IonicContact OE1-NE 2.97Å; E412-R434 PolarHBondContact OE1-NE 2.91Å; E412-R434 IonicContact OE1-NH2 2.7Å; E412-R434 PolarHBondContact OE1-NH2 3.05Å
413	K	97.9	Very high	96.8	Very high	70 Å²	70	41.1 Å²	41.1	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.4	177.2	-64.8	-172.2	-61.8	163.4	0	109	E349 R406 G411 R435	E349-K413 IonicContact OE1-NZ 3.22Å; E349-K413 PolarHBondContact OE1-NZ 2.77Å; E349-K413 IonicContact OE2-NZ 2.72Å; E349-K413 PolarHBondContact OE2-NZ 3.22Å; E349-K413 VanDerWaalsContact OE2-NZ 3.08Å; R406-K413 HydrophobicContact CG-CG 4.48Å; G411-K413 PolarHBondContact O-N 3.23Å; K413-R435 HydrophobicContact CB-CB 4.09Å; K413-R435 HydrophobicContact CB-CG 4.43Å; K413-R435 PolarHBondContact O-N 2.75Å
414	Y	98.7	Very high	96.7	Very high	30 Å²	30	47.3 Å²	47.3	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	177.1	60	-93.8	0	0	0	112.4	I379 Y404 G405 I416 R432 I433 R435	I379-Y414 HydrophobicContact CD1-CD1 3.57Å; I379-Y414 HydrophobicContact CD1-CE1 4.36Å; I379-Y414 HydrophobicContact CD1-CG 4.19Å; I379-Y414 HydrophobicContact CG1-CD1 4.05Å; I379-Y414 HydrophobicContact CG1-CG 4.22Å; Y404-Y414 VanDerWaalsContact CA-O 3.29Å; Y404-Y414 WeakPolarHBondContact CA-O 3.49Å; Y404-Y414 WeakPolarHBondContact CB-O 3.43Å; G405-Y414 PolarHBondContact N-O 2.72Å; G405-Y414 PolarHBondContact O-N 3.45Å; Y414-I416 HydrophobicContact CD2-CG1 3.98Å; Y414-I416 HydrophobicContact CE2-CD1 4.12Å; Y414-I416 HydrophobicContact CE2-CG1 3.74Å; Y414-R432 HydrophobicContact CD2-CB 4.1Å; Y414-R432 HydrophobicContact CD2-CG 3.83Å; Y414-R432 HydrophobicContact CE2-CG 4.2Å; Y414-R432 HydrophobicContact CG-CB 4.38Å; Y414-I433 CarbonylContact C-O 3.12Å; Y414-I433 WeakPolarHBondContact CA-O 3.41Å; Y414-I433 WeakPolarHBondContact CB-O 3.49Å; Y414-R435 PolarHBondContact O-NE 3.15Å
415	W	98.9	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	152.5	161.7	-67.4	119.4	0	0	0	110	E349 M352 M353 L356 L401 Y404 V417 R432 I433 R435 E443	E349-W415 HydrophobicContact CG-CZ2 3.98Å; M352-W415 HydrophobicContact CB-CH2 3.9Å; M352-W415 HydrophobicContact CB-CZ2 4.18Å; M352-W415 HydrophobicContact CE-CH2 4.48Å; M352-W415 HydrophobicContact CE-CZ2 3.97Å; M352-W415 HydrophobicContact SD-CZ2 4.4Å; M353-W415 HydrophobicContact CB-CH2 4.49Å; M353-W415 HydrophobicContact CG-CH2 3.52Å; M353-W415 HydrophobicContact CG-CZ3 4.04Å; L356-W415 HydrophobicContact CD2-CZ3 4.41Å; L401-W415 HydrophobicContact CD1-CB 3.67Å; L401-W415 HydrophobicContact CD1-CD2 3.82Å; L401-W415 HydrophobicContact CD1-CE3 3.57Å; L401-W415 HydrophobicContact CD1-CG 3.91Å; L401-W415 HydrophobicContact CD1-CZ3 4.43Å; L401-W415 HydrophobicContact CD2-CD2 4.28Å; L401-W415 HydrophobicContact CD2-CE3 3.85Å; L401-W415 HydrophobicContact CD2-CH2 4.4Å; L401-W415 HydrophobicContact CD2-CZ3 3.91Å; L401-W415 HydrophobicContact CG-CE3 4.21Å; Y404-W415 HydrophobicContact CD1-CE3 4.43Å; Y404-W415 AromaticContact CD1-CZ3 3.8Å; Y404-W415 HydrophobicContact CD1-CZ3 3.8Å; Y404-W415 HydrophobicContact CG-CE3 4.42Å; Y404-W415 HydrophobicContact CG-CZ3 4.1Å; W415-V417 HydrophobicContact CB-CG2 4.04Å; W415-R432 WeakPolarHBondContact O-CA 3.16Å; W415-I433 HydrophobicContact CB-CG2 3.85Å; W415-I433 PolarHBondContact N-O 2.9Å; W415-I433 PolarHBondContact O-N 2.78Å; W415-R435 HydrophobicContact CD2-CB 4.14Å; W415-R435 VanDerWaalsContact CD2-CD 3.49Å; W415-R435 HydrophobicContact CD2-CG 3.89Å; W415-R435 HydrophobicContact CG-CB 3.97Å; W415-R435 HydrophobicContact CG-CG 4.26Å; W415-R435 HydrophobicContact CH2-CG 4.38Å; W415-R435 VanDerWaalsContact CZ2-CD 3.43Å; W415-R435 HydrophobicContact CZ2-CG 3.64Å; W415-E443 PolarHBondContact NE1-OE1 3.12Å
416	I	98.9	Very high	96.7	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121	170.6	-52.8	172.8	0	0	0	107	D229 V402 G403 Y414 Y430 R432	D229-I416 HydrophobicContact CB-CD1 4.14Å; V402-I416 HydrophobicContact CG2-CB 4.2Å; V402-I416 HydrophobicContact CG2-CG2 3.76Å; V402-I416 WeakPolarHBondContact CG2-O 3.21Å; V402-I416 PolarHBondContact N-O 3.45Å; G403-I416 PolarHBondContact N-O 3.16Å; G403-I416 PolarHBondContact O-N 3.15Å; Y414-I416 HydrophobicContact CD2-CG1 3.98Å; Y414-I416 HydrophobicContact CE2-CD1 4.12Å; Y414-I416 HydrophobicContact CE2-CG1 3.74Å; I416-Y430 HydrophobicContact CG2-CD1 4.49Å; I416-R432 HydrophobicContact CG1-CG 4.4Å
417	V	98.9	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.9	-168	-170.5	0	0	0	0	110.1	V399 L400 L401 W415 Y430 F431 I433	V399-V417 HydrophobicContact CB-CG1 3.68Å; V399-V417 HydrophobicContact CG2-CG1 3.34Å; L400-V417 CarbonylContact O-C 3.54Å; L400-V417 WeakPolarHBondContact O-CA 3.26Å; L400-V417 WeakPolarHBondContact O-CG1 3.3Å; L401-V417 HydrophobicContact CD1-CG2 3.98Å; W415-V417 HydrophobicContact CB-CG2 4.04Å; V417-Y430 CarbonylContact O-C 3.56Å; V417-Y430 WeakPolarHBondContact O-CA 3.31Å; V417-Y430 WeakPolarHBondContact O-CB 3.44Å; V417-Y430 WeakPolarHBondContact O-CD1 3.17Å; V417-F431 HydrophobicContact CB-CD1 3.92Å; V417-F431 HydrophobicContact CB-CD2 4.27Å; V417-F431 HydrophobicContact CB-CE1 3.49Å; V417-F431 VanDerWaalsContact CB-CE1 3.49Å; V417-F431 HydrophobicContact CB-CE2 3.87Å; V417-F431 HydrophobicContact CB-CG 4.3Å; V417-F431 HydrophobicContact CB-CZ 3.48Å; V417-F431 VanDerWaalsContact CB-CZ 3.48Å; V417-F431 HydrophobicContact CG1-CD1 4.23Å; V417-F431 HydrophobicContact CG1-CE1 3.37Å; V417-F431 HydrophobicContact CG1-CE2 4.24Å; V417-F431 HydrophobicContact CG1-CZ 3.39Å; V417-F431 HydrophobicContact CG2-CE1 4.46Å; V417-F431 HydrophobicContact CG2-CE2 4Å; V417-F431 HydrophobicContact CG2-CZ 3.97Å; V417-F431 PolarHBondContact N-O 2.98Å; V417-F431 PolarHBondContact O-N 3.45Å; V417-I433 HydrophobicContact CG2-CG2 4.05Å
418	K	98.9	Very high	97	Very high	17 Å²	17	49.1 Å²	49.1	7%	0.074	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.2	173.7	-174.2	-175.2	177.2	-177.3	0	109.2	V239 S240 P241 V242 L400 V402 Y430	V239-K418 HydrophobicContact CG1-CD 3.78Å; S240-K418 WeakPolarHBondContact O-CE 3.45Å; S240-K418 PolarHBondContact O-NZ 2.9Å; S240-K418 PolarHBondContact OG-NZ 3.34Å; P241-K418 WeakPolarHBondContact O-CE 3.49Å; P241-K418 PolarHBondContact O-NZ 3.06Å; V242-K418 HydrophobicContact CG2-CG 4.13Å; L400-K418 HydrophobicContact CB-CB 4.14Å; L400-K418 HydrophobicContact CD2-CB 4.4Å; L400-K418 HydrophobicContact CD2-CD 3.93Å; L400-K418 PolarHBondContact N-O 2.64Å; L400-K418 VanDerWaalsContact N-O 3.11Å; L400-K418 PolarHBondContact O-N 2.79Å; V402-K418 HydrophobicContact CG1-CB 4.05Å; K418-Y430 VanDerWaalsContact CA-CD1 3.48Å; K418-Y430 HydrophobicContact CB-CD1 3.76Å; K418-Y430 HydrophobicContact CB-CE1 3.38Å; K418-Y430 HydrophobicContact CD-CE1 4.27Å; K418-Y430 HydrophobicContact CG-CD1 4.26Å; K418-Y430 HydrophobicContact CG-CE1 3.65Å
419	N	98.7	Very high	97.4	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.027	22%	0.217	C	C	.	.			trans	-93.4	170.3	175	-156.8	-4.4	0	0	0	111.1	H397 W425 G429 F431	H397-N419 PolarHBondContact NE2-OD1 3.26Å; N419-W425 HydrophobicContact CB-CE3 3.93Å; N419-W425 HydrophobicContact CB-CZ3 3.72Å; N419-W425 VanDerWaalsContact ND2-CE3 3.34Å; N419-W425 VanDerWaalsContact ND2-CH2 3.32Å; N419-W425 WeakPolarHBondContact ND2-CH2 3.46Å; N419-W425 WeakPolarHBondContact ND2-CZ3 3.17Å; N419-G429 WeakPolarHBondContact CB-O 3.39Å; N419-G429 PolarHBondContact N-O 2.7Å; N419-F431 HydrophobicContact CB-CD1 4.23Å; N419-F431 HydrophobicContact CB-CE1 4.31Å
420	S	98.4	Very high	97.8	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.049	18%	0.18	C	C	.	.	S	Bend	trans	-114.7	26.8	179.1	47.6	0	0	0	0	112	R243 N244 Q245	R243-S420 CarbonylContact O-C 3.53Å; R243-S420 WeakPolarHBondContact O-CA 3.43Å; N244-S420 CarbonylContact C-O 3.53Å; N244-S420 VanDerWaalsContact CA-O 3.29Å; N244-S420 WeakPolarHBondContact CA-O 3.48Å; Q245-S420 PolarHBondContact N-O 3.06Å; Q245-S420 PolarHBondContact OE1-OG 3.36Å
421	W	98	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-105.4	18.1	-176.7	-65.3	-8.3	0	0	0	114	R196 A197 V368 F372 M373 H397 W425	R196-W421 HydrophobicContact CG-CG 4.37Å; R196-W421 PolarHBondContact NH2-O 3.44Å; R196-W421 PolarHBondContact O-NE1 3.25Å; A197-W421 HydrophobicContact CB-CZ2 4.19Å; V368-W421 HydrophobicContact CG1-CH2 4.29Å; V368-W421 HydrophobicContact CG2-CH2 4.35Å; F372-W421 AromaticContact CD1-CH2 3.85Å; F372-W421 HydrophobicContact CD1-CH2 3.85Å; F372-W421 HydrophobicContact CD1-CZ3 4.05Å; F372-W421 AromaticContact CE1-CH2 3.76Å; F372-W421 HydrophobicContact CE1-CH2 3.76Å; F372-W421 AromaticContact CE1-CZ3 3.88Å; F372-W421 HydrophobicContact CE1-CZ3 3.88Å; M373-W421 HydrophobicContact SD-CH2 3.68Å; M373-W421 HydrophobicContact SD-CZ2 4.46Å; M373-W421 HydrophobicContact SD-CZ3 4.02Å; H397-W421 AromaticContact CD2-CZ2 3.58Å; H397-W421 AromaticContact CE1-CE2 3.8Å; H397-W421 AromaticContact CE1-CZ2 3.91Å; H397-W421 AromaticContact CE1-NE1 3.34Å; H397-W421 PolarHBondContact CE1-NE1 3.28Å; H397-W421 VanDerWaalsContact CE1-NE1 3.34Å; H397-W421 AromaticContact NE2-CE2 3.44Å; H397-W421 AromaticContact NE2-CZ2 3.45Å; H397-W421 WeakPolarHBondContact NE2-CZ2 3.39Å; H397-W421 AromaticContact NE2-NE1 3.38Å; H397-W421 PolarHBondContact NE2-NE1 2.7Å; W421-W425 HydrophobicContact CB-CB 4.21Å; W421-W425 HydrophobicContact CB-CG 4.19Å; W421-W425 AromaticContact CE3-CD1 3.88Å; W421-W425 AromaticContact CE3-CD2 3.82Å; W421-W425 HydrophobicContact CE3-CD2 3.82Å; W421-W425 AromaticContact CE3-CE2 3.43Å; W421-W425 VanDerWaalsContact CE3-CE2 3.43Å; W421-W425 HydrophobicContact CE3-CG 4.09Å; W421-W425 AromaticContact CE3-CZ2 3.83Å; W421-W425 HydrophobicContact CE3-CZ2 3.83Å; W421-W425 AromaticContact CE3-NE1 3.47Å; W421-W425 HydrophobicContact CZ3-CD2 4.47Å; W421-W425 AromaticContact CZ3-CE2 3.66Å; W421-W425 HydrophobicContact CZ3-CH2 4.46Å; W421-W425 AromaticContact CZ3-CZ2 3.63Å; W421-W425 HydrophobicContact CZ3-CZ2 3.63Å; W421-W425 AromaticContact CZ3-NE1 3.73Å
422	G	98.1	Very high	98.3	Very high	10 Å²	10	30.4 Å²	30.4	10%	0.103	15%	0.153	C	C	.	.			trans	84.8	156.9	-177.2	0	0	0	0	0	113.2	R243 Q424 W425 G429	R243-G422 WeakPolarHBondContact O-CA 3.35Å; R243-G422 PolarHBondContact O-N 3.19Å; G422-Q424 PolarHBondContact O-N 2.82Å; G422-W425 PolarHBondContact O-N 2.89Å; G422-G429 WeakPolarHBondContact O-CA 3.21Å
423	A	97.7	Very high	98.5	Very high	48 Å²	48	28.4 Å²	28.4	40%	0.397	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.4	-173.5	0	0	0	0	0	114	V242 W425 D428 G429	V242-A423 HydrophobicContact CB-CB 4.42Å; A423-W425 VanDerWaalsContact C-N 3.31Å; A423-D428 CarbonylContact O-C 3.59Å; A423-D428 WeakPolarHBondContact O-CA 3.26Å; A423-G429 PolarHBondContact O-N 2.82Å; A423-G429 VanDerWaalsContact O-N 3.14Å
424	Q	96.9	Very high	98.5	Very high	129 Å²	129	28.6 Å²	28.6	60%	0.603	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-23.3	179	-60.2	-55.4	-33.5	0	0	112.7	K376 G422	K376-Q424 PolarHBondContact NZ-O 3.28Å; G422-Q424 PolarHBondContact O-N 2.82Å
425	W	98.3	Very high	98.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.14	C	C	.	.	S	Bend	trans	-77.9	138.4	179.3	-176.5	90	0	0	0	111.1	Y182 H185 F372 Y375 N419 W421 G422 A423 G429 F431	Y182-W425 AromaticContact CD2-CD1 3.93Å; Y182-W425 HydrophobicContact CE1-CB 4.44Å; Y182-W425 AromaticContact CE2-CD1 3.62Å; Y182-W425 AromaticContact CE2-NE1 3.79Å; Y182-W425 AromaticContact CZ-CD1 3.74Å; H185-W425 AromaticContact NE2-CD1 3.97Å; F372-W425 HydrophobicContact CD1-CZ2 4.39Å; F372-W425 AromaticContact CE1-CH2 3.88Å; F372-W425 HydrophobicContact CE1-CH2 3.88Å; F372-W425 AromaticContact CE1-CZ2 3.87Å; F372-W425 HydrophobicContact CE1-CZ2 3.87Å; F372-W425 HydrophobicContact CE2-CH2 4.23Å; F372-W425 AromaticContact CZ-CH2 3.58Å; F372-W425 HydrophobicContact CZ-CH2 3.58Å; F372-W425 AromaticContact CZ-CZ2 3.98Å; F372-W425 HydrophobicContact CZ-CZ2 3.98Å; Y375-W425 AromaticContact CD1-CH2 3.81Å; Y375-W425 HydrophobicContact CD1-CH2 3.81Å; Y375-W425 HydrophobicContact CD1-CZ2 4.08Å; Y375-W425 HydrophobicContact CD1-CZ3 4.31Å; Y375-W425 HydrophobicContact CG-CH2 4.48Å; Y375-W425 HydrophobicContact CG-CZ2 4.49Å; N419-W425 HydrophobicContact CB-CE3 3.93Å; N419-W425 HydrophobicContact CB-CZ3 3.72Å; N419-W425 VanDerWaalsContact ND2-CE3 3.34Å; N419-W425 VanDerWaalsContact ND2-CH2 3.32Å; N419-W425 WeakPolarHBondContact ND2-CH2 3.46Å; N419-W425 WeakPolarHBondContact ND2-CZ3 3.17Å; W421-W425 HydrophobicContact CB-CB 4.21Å; W421-W425 HydrophobicContact CB-CG 4.19Å; W421-W425 AromaticContact CE3-CD1 3.88Å; W421-W425 AromaticContact CE3-CD2 3.82Å; W421-W425 HydrophobicContact CE3-CD2 3.82Å; W421-W425 AromaticContact CE3-CE2 3.43Å; W421-W425 VanDerWaalsContact CE3-CE2 3.43Å; W421-W425 HydrophobicContact CE3-CG 4.09Å; W421-W425 AromaticContact CE3-CZ2 3.83Å; W421-W425 HydrophobicContact CE3-CZ2 3.83Å; W421-W425 AromaticContact CE3-NE1 3.47Å; W421-W425 HydrophobicContact CZ3-CD2 4.47Å; W421-W425 AromaticContact CZ3-CE2 3.66Å; W421-W425 HydrophobicContact CZ3-CH2 4.46Å; W421-W425 AromaticContact CZ3-CZ2 3.63Å; W421-W425 HydrophobicContact CZ3-CZ2 3.63Å; W421-W425 AromaticContact CZ3-NE1 3.73Å; G422-W425 PolarHBondContact O-N 2.89Å; A423-W425 VanDerWaalsContact C-N 3.31Å; W425-G429 WeakPolarHBondContact O-CA 3.3Å; W425-G429 PolarHBondContact O-N 3.44Å; W425-F431 HydrophobicContact CH2-CB 3.88Å; W425-F431 AromaticContact CH2-CD1 3.87Å; W425-F431 HydrophobicContact CH2-CD1 3.87Å; W425-F431 HydrophobicContact CH2-CG 4.06Å; W425-F431 HydrophobicContact CZ3-CB 3.91Å; W425-F431 AromaticContact CZ3-CD1 3.78Å; W425-F431 HydrophobicContact CZ3-CD1 3.78Å; W425-F431 HydrophobicContact CZ3-CG 4.21Å
426	G	98.5	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	-136.7	177.1	0	0	0	0	0	113.5	Y182 K376 D428	Y182-G426 WeakPolarHBondContact OH-CA 3.49Å; Y182-G426 PolarHBondContact OH-N 2.93Å; K376-G426 PolarHBondContact NZ-O 2.81Å; K376-G426 CarbonylContact O-C 3.54Å; G426-D428 PolarHBondContact O-N 2.97Å
427	E	98.6	Very high	98	Very high	47 Å²	47	33 Å²	33	22%	0.22	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-94.2	76.5	179.8	-55.5	-174.9	147.1	0	0	109.1	Y375 G377 G378 G429 Y430 R432	Y375-E427 HydrophobicContact CE1-CG 4.18Å; Y375-E427 VanDerWaalsContact OH-CD 3.28Å; Y375-E427 PolarHBondContact OH-OE1 3.42Å; G377-E427 WeakPolarHBondContact CA-OE1 3.32Å; G378-E427 PolarHBondContact N-OE1 2.84Å; E427-G429 VanDerWaalsContact C-N 3.29Å; E427-G429 PolarHBondContact O-N 2.81Å; E427-Y430 PolarHBondContact N-O 2.97Å; E427-Y430 WeakPolarHBondContact O-CB 3.32Å; E427-Y430 PolarHBondContact O-N 2.83Å; E427-R432 IonicContact OE1-CZ 2.7Å; E427-R432 IonicContact OE1-NE 3.9Å; E427-R432 PolarHBondContact OE1-NE 3.11Å; E427-R432 IonicContact OE1-NH2 3.02Å; E427-R432 PolarHBondContact OE1-NH2 2.9Å; E427-R432 IonicContact OE2-CZ 2.84Å; E427-R432 IonicContact OE2-NE 3.98Å; E427-R432 PolarHBondContact OE2-NE 2.82Å; E427-R432 IonicContact OE2-NH2 3.28Å
428	D	98.4	Very high	97.8	Very high	130 Å²	130	34.6 Å²	34.6	70%	0.695	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	38.5	-177	-55.7	-47.1	0	0	0	113.5	A423 G426 Y430	A423-D428 CarbonylContact O-C 3.59Å; A423-D428 WeakPolarHBondContact O-CA 3.26Å; G426-D428 PolarHBondContact O-N 2.97Å; D428-Y430 WeakPolarHBondContact O-CD2 3.2Å
429	G	98.6	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	2.3	-175.8	0	0	0	0	0	114.8	N419 G422 A423 W425 E427	N419-G429 WeakPolarHBondContact CB-O 3.39Å; N419-G429 PolarHBondContact N-O 2.7Å; G422-G429 WeakPolarHBondContact O-CA 3.21Å; A423-G429 PolarHBondContact O-N 2.82Å; A423-G429 VanDerWaalsContact O-N 3.14Å; W425-G429 WeakPolarHBondContact O-CA 3.3Å; W425-G429 PolarHBondContact O-N 3.44Å; E427-G429 VanDerWaalsContact C-N 3.29Å; E427-G429 PolarHBondContact O-N 2.81Å
430	Y	98.9	Very high	97.5	Very high	21 Å²	21	35.2 Å²	35.2	8%	0.082	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	166.9	175.4	-63	-101.6	0	0	0	111.1	R231 V242 V402 I416 V417 K418 E427 D428	R231-Y430 HydrophobicContact CG-CE1 4.4Å; R231-Y430 VanDerWaalsContact NH1-CG 3.35Å; V242-Y430 HydrophobicContact CG2-CD2 4.1Å; V242-Y430 HydrophobicContact CG2-CE2 3.48Å; V242-Y430 VanDerWaalsContact CG2-CE2 3.48Å; V402-Y430 HydrophobicContact CG2-CD1 4.07Å; V402-Y430 HydrophobicContact CG2-CE1 3.88Å; I416-Y430 HydrophobicContact CG2-CD1 4.49Å; V417-Y430 CarbonylContact O-C 3.56Å; V417-Y430 WeakPolarHBondContact O-CA 3.31Å; V417-Y430 WeakPolarHBondContact O-CB 3.44Å; V417-Y430 WeakPolarHBondContact O-CD1 3.17Å; K418-Y430 VanDerWaalsContact CA-CD1 3.48Å; K418-Y430 HydrophobicContact CB-CD1 3.76Å; K418-Y430 HydrophobicContact CB-CE1 3.38Å; K418-Y430 HydrophobicContact CD-CE1 4.27Å; K418-Y430 HydrophobicContact CG-CD1 4.26Å; K418-Y430 HydrophobicContact CG-CE1 3.65Å; E427-Y430 PolarHBondContact N-O 2.97Å; E427-Y430 WeakPolarHBondContact O-CB 3.32Å; E427-Y430 PolarHBondContact O-N 2.83Å; D428-Y430 WeakPolarHBondContact O-CD2 3.2Å
431	F	98.9	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.1	166.7	66.2	-81.2	0	0	0	110.6	L366 F372 Y375 V399 V417 N419 W425 I433	L366-F431 HydrophobicContact CD1-CE2 4.34Å; L366-F431 HydrophobicContact CD1-CZ 4.28Å; L366-F431 HydrophobicContact CD2-CZ 4.07Å; F372-F431 AromaticContact CE2-CD2 3.73Å; F372-F431 HydrophobicContact CE2-CD2 3.73Å; F372-F431 AromaticContact CE2-CE2 3.81Å; F372-F431 HydrophobicContact CE2-CE2 3.81Å; F372-F431 HydrophobicContact CE2-CG 4.15Å; F372-F431 HydrophobicContact CE2-CZ 4.29Å; F372-F431 HydrophobicContact CZ-CD1 4.03Å; F372-F431 AromaticContact CZ-CD2 3.88Å; F372-F431 HydrophobicContact CZ-CD2 3.88Å; F372-F431 AromaticContact CZ-CE1 3.91Å; F372-F431 HydrophobicContact CZ-CE1 3.91Å; F372-F431 AromaticContact CZ-CE2 3.78Å; F372-F431 HydrophobicContact CZ-CE2 3.78Å; F372-F431 AromaticContact CZ-CG 3.99Å; F372-F431 HydrophobicContact CZ-CG 3.99Å; F372-F431 AromaticContact CZ-CZ 3.77Å; F372-F431 HydrophobicContact CZ-CZ 3.77Å; Y375-F431 HydrophobicContact CD1-CB 3.76Å; Y375-F431 HydrophobicContact CE1-CB 3.25Å; Y375-F431 HydrophobicContact CE2-CB 4.5Å; V399-F431 HydrophobicContact CG1-CE1 4.28Å; V399-F431 HydrophobicContact CG2-CE1 4.47Å; V399-F431 HydrophobicContact CG2-CZ 4.2Å; V417-F431 HydrophobicContact CB-CD1 3.92Å; V417-F431 HydrophobicContact CB-CD2 4.27Å; V417-F431 HydrophobicContact CB-CE1 3.49Å; V417-F431 VanDerWaalsContact CB-CE1 3.49Å; V417-F431 HydrophobicContact CB-CE2 3.87Å; V417-F431 HydrophobicContact CB-CG 4.3Å; V417-F431 HydrophobicContact CB-CZ 3.48Å; V417-F431 VanDerWaalsContact CB-CZ 3.48Å; V417-F431 HydrophobicContact CG1-CD1 4.23Å; V417-F431 HydrophobicContact CG1-CE1 3.37Å; V417-F431 HydrophobicContact CG1-CE2 4.24Å; V417-F431 HydrophobicContact CG1-CZ 3.39Å; V417-F431 HydrophobicContact CG2-CE1 4.46Å; V417-F431 HydrophobicContact CG2-CE2 4Å; V417-F431 HydrophobicContact CG2-CZ 3.97Å; V417-F431 PolarHBondContact N-O 2.98Å; V417-F431 PolarHBondContact O-N 3.45Å; N419-F431 HydrophobicContact CB-CD1 4.23Å; N419-F431 HydrophobicContact CB-CE1 4.31Å; W425-F431 HydrophobicContact CH2-CB 3.88Å; W425-F431 AromaticContact CH2-CD1 3.87Å; W425-F431 HydrophobicContact CH2-CD1 3.87Å; W425-F431 HydrophobicContact CH2-CG 4.06Å; W425-F431 HydrophobicContact CZ3-CB 3.91Å; W425-F431 AromaticContact CZ3-CD1 3.78Å; W425-F431 HydrophobicContact CZ3-CD1 3.78Å; W425-F431 HydrophobicContact CZ3-CG 4.21Å; F431-I433 HydrophobicContact CD2-CB 4.16Å; F431-I433 HydrophobicContact CD2-CG2 4.34Å; F431-I433 HydrophobicContact CE2-CB 3.99Å; F431-I433 HydrophobicContact CE2-CG2 3.89Å
432	R	98.8	Very high	97.2	Very high	66 Å²	66	35.6 Å²	35.6	25%	0.249	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.8	168.7	-64.9	171.9	-72.2	156.6	0.1	109.5	Y375 Y380 Y414 W415 I416 E427	Y375-R432 PolarHBondContact OH-N 2.8Å; Y380-R432 VanDerWaalsContact CB-O 3.28Å; Y380-R432 WeakPolarHBondContact CB-O 3.41Å; Y380-R432 PolarHBondContact N-O 2.96Å; Y414-R432 HydrophobicContact CD2-CB 4.1Å; Y414-R432 HydrophobicContact CD2-CG 3.83Å; Y414-R432 HydrophobicContact CE2-CG 4.2Å; Y414-R432 HydrophobicContact CG-CB 4.38Å; W415-R432 WeakPolarHBondContact O-CA 3.16Å; I416-R432 HydrophobicContact CG1-CG 4.4Å; E427-R432 IonicContact OE1-CZ 2.7Å; E427-R432 IonicContact OE1-NE 3.9Å; E427-R432 PolarHBondContact OE1-NE 3.11Å; E427-R432 IonicContact OE1-NH2 3.02Å; E427-R432 PolarHBondContact OE1-NH2 2.9Å; E427-R432 IonicContact OE2-CZ 2.84Å; E427-R432 IonicContact OE2-NE 3.98Å; E427-R432 PolarHBondContact OE2-NE 2.82Å; E427-R432 IonicContact OE2-NH2 3.28Å
433	I	98.8	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.3	-178.6	-179	166.6	0	0	0	109.4	L366 Y380 Y414 W415 V417 F431 E439 C440 I442	L366-I433 HydrophobicContact CD1-CD1 4.22Å; Y380-I433 HydrophobicContact CD1-CB 4.36Å; Y380-I433 HydrophobicContact CD1-CD1 3.75Å; Y380-I433 HydrophobicContact CD1-CG1 3.83Å; Y380-I433 HydrophobicContact CE1-CD1 4.12Å; Y380-I433 WeakPolarHBondContact O-CA 3.47Å; Y414-I433 CarbonylContact C-O 3.12Å; Y414-I433 WeakPolarHBondContact CA-O 3.41Å; Y414-I433 WeakPolarHBondContact CB-O 3.49Å; W415-I433 HydrophobicContact CB-CG2 3.85Å; W415-I433 PolarHBondContact N-O 2.9Å; W415-I433 PolarHBondContact O-N 2.78Å; V417-I433 HydrophobicContact CG2-CG2 4.05Å; F431-I433 HydrophobicContact CD2-CB 4.16Å; F431-I433 HydrophobicContact CD2-CG2 4.34Å; F431-I433 HydrophobicContact CE2-CB 3.99Å; F431-I433 HydrophobicContact CE2-CG2 3.89Å; I433-E439 HydrophobicContact CD1-CB 4.22Å; I433-E439 HydrophobicContact CD1-CG 3.86Å; I433-E439 HydrophobicContact CG1-CB 4.01Å; I433-E439 HydrophobicContact CG1-CG 3.67Å; I433-C440 HydrophobicContact CD1-CB 4.39Å; I433-I442 HydrophobicContact CD1-CB 4.33Å; I433-I442 HydrophobicContact CD1-CG2 4.38Å; I433-I442 HydrophobicContact CG2-CG1 4.28Å
434	R	98.4	Very high	96.9	Very high	75 Å²	75	33.6 Å²	33.6	28%	0.283	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	140	176.6	-76.4	-174.6	173.1	154.9	4.1	111.9	I379 Y380 H381 E412 E439	I379-R434 HydrophobicContact CG2-CG 3.99Å; Y380-R434 PolarHBondContact O-N 3.36Å; H381-R434 HydrophobicContact CB-CG 4.05Å; H381-R434 VanDerWaalsContact CB-CZ 3.45Å; H381-R434 PolarHBondContact CD2-NH1 3.46Å; H381-R434 VanDerWaalsContact CG-NH1 3.27Å; H381-R434 PolarHBondContact ND1-NH2 3.14Å; E412-R434 IonicContact OE1-CZ 3.69Å; E412-R434 IonicContact OE1-NE 2.97Å; E412-R434 PolarHBondContact OE1-NE 2.91Å; E412-R434 IonicContact OE1-NH2 2.7Å; E412-R434 PolarHBondContact OE1-NH2 3.05Å; R434-E439 HydrophobicContact CB-CB 3.88Å; R434-E439 HydrophobicContact CB-CG 4.04Å
435	R	97.7	Very high	96.8	Very high	21 Å²	21	28.5 Å²	28.5	8%	0.079	15%	0.154	C	C	.	.			trans	-120.3	140.1	-179.3	169.6	173.9	67.2	92.6	-8.7	111.7	E349 M353 G405 K413 Y414 W415	E349-R435 HydrophobicContact CG-CG 3.93Å; E349-R435 VanDerWaalsContact OE1-CG 3.29Å; E349-R435 WeakPolarHBondContact OE1-CG 3.34Å; E349-R435 IonicContact OE1-CZ 3.78Å; E349-R435 IonicContact OE1-NE 3.42Å; E349-R435 IonicContact OE1-NH1 3.54Å; E349-R435 PolarHBondContact OE1-NH1 2.93Å; M353-R435 PolarHBondContact SD-NH1 2.83Å; G405-R435 PolarHBondContact O-NH2 2.79Å; K413-R435 HydrophobicContact CB-CB 4.09Å; K413-R435 HydrophobicContact CB-CG 4.43Å; K413-R435 PolarHBondContact O-N 2.75Å; Y414-R435 PolarHBondContact O-NE 3.15Å; W415-R435 HydrophobicContact CD2-CB 4.14Å; W415-R435 VanDerWaalsContact CD2-CD 3.49Å; W415-R435 HydrophobicContact CD2-CG 3.89Å; W415-R435 HydrophobicContact CG-CB 3.97Å; W415-R435 HydrophobicContact CG-CG 4.26Å; W415-R435 HydrophobicContact CH2-CG 4.38Å; W415-R435 VanDerWaalsContact CZ2-CD 3.43Å; W415-R435 HydrophobicContact CZ2-CG 3.64Å
436	G	94.9	Very high	96.8	Very high	35 Å²	35	28.4 Å²	28.4	36%	0.361	15%	0.154	S	C	.	.	S	Bend	trans	92.2	11.9	175.5	0	0	0	0	0	114.6	E349 E443	E349-G436 VanDerWaalsContact CD-CA 3.42Å; E349-G436 VanDerWaalsContact OE2-CA 3.23Å; E349-G436 WeakPolarHBondContact OE2-CA 3.47Å; G436-E443 PolarHBondContact N-OE1 3.4Å
437	S	94.1	Very high	96.8	Very high	77 Å²	77	28.5 Å²	28.5	54%	0.538	15%	0.154	S	C	.	.	S	Bend	trans	-134.7	12.6	178.6	63.5	0	0	0	0	112.7	E439 E443	S437-E439 PolarHBondContact O-N 3.42Å; S437-E443 PolarHBondContact N-OE2 2.94Å
438	D	95.3	Very high	96.8	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.182	15%	0.149	C	C	.	.			trans	50.6	41.5	-175.5	-162.5	32.1	0	0	0	113.6	P210 C440 A441 E443 S444	P210-D438 VanDerWaalsContact CD-OD2 3.24Å; P210-D438 WeakPolarHBondContact CD-OD2 3.13Å; P210-D438 HydrophobicContact CG-CB 3.66Å; D438-C440 PolarHBondContact O-N 2.79Å; D438-C440 VanDerWaalsContact O-N 3.15Å; D438-A441 PolarHBondContact O-N 3.23Å; D438-A441 VanDerWaalsContact OD1-CA 3.25Å; D438-A441 WeakPolarHBondContact OD1-CA 3.42Å; D438-E443 HydrophobicContact CB-CB 4.31Å; D438-E443 PolarHBondContact N-OE2 2.88Å; D438-E443 VanDerWaalsContact OD1-CA 3.29Å; D438-E443 WeakPolarHBondContact OD1-CA 3.49Å; D438-E443 WeakPolarHBondContact OD1-CB 3.44Å; D438-E443 PolarHBondContact OD1-N 3.3Å; D438-S444 PolarHBondContact OD1-N 3.34Å; D438-S444 PolarHBondContact OD1-OG 3.27Å; D438-S444 PolarHBondContact OD2-OG 3.18Å
439	E	96.4	Very high	96.8	Very high	27 Å²	27	20.8 Å²	20.8	13%	0.126	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-53.9	121.9	-179.1	-178.8	65.9	-139.6	0	0	110.1	H382 I433 R434 S437 A441 I442	H382-E439 PolarHBondContact N-OE1 3.48Å; I433-E439 HydrophobicContact CD1-CB 4.22Å; I433-E439 HydrophobicContact CD1-CG 3.86Å; I433-E439 HydrophobicContact CG1-CB 4.01Å; I433-E439 HydrophobicContact CG1-CG 3.67Å; R434-E439 HydrophobicContact CB-CB 3.88Å; R434-E439 HydrophobicContact CB-CG 4.04Å; S437-E439 PolarHBondContact O-N 3.42Å; E439-A441 PolarHBondContact O-N 3.35Å; E439-A441 VanDerWaalsContact O-N 3.15Å; E439-I442 WeakPolarHBondContact O-CB 3.41Å; E439-I442 WeakPolarHBondContact O-CG2 3.39Å; E439-I442 PolarHBondContact O-N 3.13Å; E439-I442 VanDerWaalsContact O-N 3.13Å
440	C	94.5	Very high	96.8	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.061	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	52.3	33.5	-176.8	-58.6	0	0	0	0	113.6	L366 E367 Y369 I433 D438 I442	L366-C440 CarbonylContact C-O 3.58Å; L366-C440 VanDerWaalsContact CA-O 3.28Å; L366-C440 WeakPolarHBondContact CA-O 3.29Å; L366-C440 HydrophobicContact CB-CB 4.33Å; L366-C440 WeakPolarHBondContact CB-O 3.19Å; E367-C440 HydrophobicContact CB-CB 4.14Å; E367-C440 PolarHBondContact N-O 3.31Å; Y369-C440 HydrophobicContact CE2-CB 4.33Å; I433-C440 HydrophobicContact CD1-CB 4.39Å; D438-C440 PolarHBondContact O-N 2.79Å; D438-C440 VanDerWaalsContact O-N 3.15Å; C440-I442 PolarHBondContact O-N 3.35Å
441	A	94.1	Very high	96.8	Very high	16 Å²	16	24.7 Å²	24.7	13%	0.132	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	63.8	16.5	-179.2	0	0	0	0	0	115.7	D438 E439 E443 S444	D438-A441 PolarHBondContact O-N 3.23Å; D438-A441 VanDerWaalsContact OD1-CA 3.25Å; D438-A441 WeakPolarHBondContact OD1-CA 3.42Å; E439-A441 PolarHBondContact O-N 3.35Å; E439-A441 VanDerWaalsContact O-N 3.15Å; A441-E443 PolarHBondContact O-N 3.46Å; A441-S444 VanDerWaalsContact O-CB 3.22Å; A441-S444 WeakPolarHBondContact O-CB 3.44Å; A441-S444 PolarHBondContact O-N 3.29Å; A441-S444 PolarHBondContact O-OG 3.32Å
442	I	96.3	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.2	-177.7	-165.6	73.7	0	0	0	113.4	V364 A365 L366 V399 I433 E439 C440	V364-I442 HydrophobicContact CB-CD1 4.27Å; V364-I442 HydrophobicContact CG2-CD1 3.54Å; V364-I442 HydrophobicContact CG2-CG1 4.29Å; A365-I442 WeakPolarHBondContact O-CA 3.3Å; L366-I442 HydrophobicContact CB-CB 4.41Å; L366-I442 HydrophobicContact CB-CD1 3.78Å; L366-I442 HydrophobicContact CD2-CD1 3.99Å; L366-I442 HydrophobicContact CG-CD1 4.38Å; V399-I442 HydrophobicContact CG2-CD1 4.31Å; I433-I442 HydrophobicContact CD1-CB 4.33Å; I433-I442 HydrophobicContact CD1-CG2 4.38Å; I433-I442 HydrophobicContact CG2-CG1 4.28Å; E439-I442 WeakPolarHBondContact O-CB 3.41Å; E439-I442 WeakPolarHBondContact O-CG2 3.39Å; E439-I442 PolarHBondContact O-N 3.13Å; E439-I442 VanDerWaalsContact O-N 3.13Å; C440-I442 PolarHBondContact O-N 3.35Å
443	E	96.6	Very high	96.5	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.023	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	11.6	-178	-54.8	176.2	161.2	0	0	112.6	P210 C347 M352 W415 G436 S437 D438 A441	P210-E443 HydrophobicContact CG-CB 4.08Å; C347-E443 WeakPolarHBondContact CB-O 3.42Å; C347-E443 PolarHBondContact SG-O 3.37Å; M352-E443 HydrophobicContact CE-CG 4.28Å; M352-E443 VanDerWaalsContact SD-CA 3.59Å; M352-E443 HydrophobicContact SD-CB 3.82Å; M352-E443 HydrophobicContact SD-CG 3.98Å; W415-E443 PolarHBondContact NE1-OE1 3.12Å; G436-E443 PolarHBondContact N-OE1 3.4Å; S437-E443 PolarHBondContact N-OE2 2.94Å; D438-E443 HydrophobicContact CB-CB 4.31Å; D438-E443 PolarHBondContact N-OE2 2.88Å; D438-E443 VanDerWaalsContact OD1-CA 3.29Å; D438-E443 WeakPolarHBondContact OD1-CA 3.49Å; D438-E443 WeakPolarHBondContact OD1-CB 3.44Å; D438-E443 PolarHBondContact OD1-N 3.3Å; A441-E443 PolarHBondContact O-N 3.46Å
444	S	92.2	Very high	96.1	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-32.9	-173	-66.3	0	0	0	0	114.8	D438 A441	D438-S444 PolarHBondContact OD1-N 3.34Å; D438-S444 PolarHBondContact OD1-OG 3.27Å; D438-S444 PolarHBondContact OD2-OG 3.18Å; A441-S444 VanDerWaalsContact O-CB 3.22Å; A441-S444 WeakPolarHBondContact O-CB 3.44Å; A441-S444 PolarHBondContact O-N 3.29Å; A441-S444 PolarHBondContact O-OG 3.32Å
445	I	94.3	Very high	95.3	Very high	22 Å²	22	41.5 Å²	41.5	11%	0.113	23%	0.229	C	C	.	.			trans	-140.1	41	-166.8	-163.1	172.3	0	0	0	113.4	Y84 Y339 Y344 A365 V447	Y84-I445 HydrophobicContact CD2-CD1 4.02Å; Y84-I445 HydrophobicContact CG-CD1 4.39Å; Y339-I445 HydrophobicContact CD1-CG1 4.11Å; Y339-I445 HydrophobicContact CE1-CD1 4.06Å; Y339-I445 HydrophobicContact CE1-CG1 3.39Å; Y344-I445 HydrophobicContact CD2-CB 4.48Å; Y344-I445 HydrophobicContact CD2-CD1 4.05Å; Y344-I445 HydrophobicContact CD2-CG1 3.92Å; Y344-I445 HydrophobicContact CE2-CB 4.12Å; Y344-I445 HydrophobicContact CE2-CD1 3.71Å; Y344-I445 HydrophobicContact CE2-CG1 3.84Å; A365-I445 HydrophobicContact CB-CG2 3.55Å; I445-V447 PolarHBondContact O-N 3.1Å
446	A	98.1	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.237	C	C	.	.			trans	-65.8	135.6	175.6	0	0	0	0	0	111.6	Y339 V340 C347 M352 M362 A363 V364	Y339-A446 WeakPolarHBondContact CA-O 3.45Å; V340-A446 HydrophobicContact CB-CB 3.91Å; V340-A446 HydrophobicContact CG2-CB 3.77Å; V340-A446 PolarHBondContact N-O 3.36Å; C347-A446 VanDerWaalsContact SG-CB 3.56Å; M352-A446 HydrophobicContact CE-CB 4.36Å; M352-A446 HydrophobicContact CG-CB 3.82Å; M352-A446 HydrophobicContact SD-CB 4.22Å; M362-A446 HydrophobicContact CG-CB 4.43Å; M362-A446 HydrophobicContact SD-CB 3.82Å; A363-A446 CarbonylContact O-C 3.51Å; A363-A446 WeakPolarHBondContact O-CA 3.29Å; V364-A446 HydrophobicContact CG1-CB 3.83Å
447	V	98.6	Very high	95.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	-178.7	175.3	0	0	0	0	109.3	M259 P296 G338 Y339 M362 A363 I445	M259-V447 VanDerWaalsContact SD-O 3.36Å; P296-V447 HydrophobicContact CB-CB 4.26Å; P296-V447 HydrophobicContact CB-CG1 4.36Å; P296-V447 HydrophobicContact CB-CG2 4.41Å; G338-V447 WeakPolarHBondContact O-CA 3.3Å; Y339-V447 HydrophobicContact CD1-CG2 3.51Å; Y339-V447 HydrophobicContact CE1-CG2 3.43Å; Y339-V447 VanDerWaalsContact CE1-CG2 3.43Å; M362-V447 WeakPolarHBondContact CB-O 3.37Å; A363-V447 HydrophobicContact CB-CB 4.48Å; A363-V447 PolarHBondContact N-O 3.25Å; A363-V447 PolarHBondContact O-N 2.82Å; I445-V447 PolarHBondContact O-N 3.1Å
448	A	98.6	Very high	95.3	Very high	13 Å²	13	41.1 Å²	41.1	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.4	172.7	0	0	0	0	0	110.7	Y337 G338 V340 E355	Y337-A448 CarbonylContact C-O 3.52Å; Y337-A448 VanDerWaalsContact CA-O 3.29Å; Y337-A448 WeakPolarHBondContact CA-O 3.37Å; G338-A448 PolarHBondContact N-O 3.47Å; G338-A448 PolarHBondContact O-N 3.05Å; V340-A448 HydrophobicContact CG2-CB 4.32Å; E355-A448 HydrophobicContact CG-CB 4.03Å; E355-A448 WeakPolarHBondContact OE1-CB 3.44Å
449	A	98.6	Very high	95.3	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.4	167.6	0	0	0	0	0	110.5	M259 L260 R263 T334 E336	M259-A449 HydrophobicContact CE-CB 3.63Å; M259-A449 HydrophobicContact SD-CB 4.47Å; M259-A449 PolarHBondContact SD-N 3.34Å; L260-A449 HydrophobicContact CD2-CB 3.96Å; R263-A449 WeakPolarHBondContact CD-O 3.42Å; R263-A449 PolarHBondContact NH1-O 3Å; T334-A449 HydrophobicContact CG2-CB 3.99Å; E336-A449 CarbonylContact O-C 3.56Å; E336-A449 VanDerWaalsContact O-CA 3.24Å; E336-A449 WeakPolarHBondContact O-CA 3.48Å
450	K	98.6	Very high	95.2	Very high	98 Å²	98	42.4 Å²	42.4	43%	0.426	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	105	-177.3	-175.3	176.5	176.4	-176.5	0	109.6	T334 A335 E336	T334-K450 CarbonylContact C-O 3.58Å; T334-K450 VanDerWaalsContact CA-O 3.24Å; T334-K450 WeakPolarHBondContact CA-O 3.49Å; A335-K450 PolarHBondContact N-O 2.98Å; E336-K450 HydrophobicContact CB-CB 4.22Å; E336-K450 PolarHBondContact O-N 3Å; E336-K450 IonicContact OE1-NZ 3.7Å
451	P	98.4	Very high	95.2	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	156.3	176.5	29.3	-33.4	0	0	0	111.3	L260 R263 V264 L267 M332 P453	L260-P451 HydrophobicContact CD2-CB 4.14Å; L260-P451 HydrophobicContact CD2-CG 4.41Å; R263-P451 HydrophobicContact CB-CG 3.66Å; V264-P451 HydrophobicContact CG2-CB 3.68Å; V264-P451 HydrophobicContact CG2-CG 3.7Å; L267-P451 HydrophobicContact CD1-CG 4.12Å; M332-P451 HydrophobicContact CE-CB 4.09Å; M332-P451 HydrophobicContact SD-CB 3.96Å; P451-P453 WeakPolarHBondContact O-CD 3.22Å
452	I	98.3	Very high	95.3	Very high	89 Å²	89	46.6 Å²	46.6	46%	0.456	24%	0.238	S	C	.	.			trans	-103.5	103.7	169.3	-59.1	168.7	0	0	0	106.9	M332 Y333 A335	M332-I452 WeakPolarHBondContact CG-O 3.48Å; Y333-I452 PolarHBondContact O-N 2.74Å; A335-I452 HydrophobicContact CB-CD1 4.06Å; A335-I452 HydrophobicContact CB-CG1 3.9Å
453	P	93.9	Very high	95.2	Very high	38 Å²	38	50.2 Å²	50.2	25%	0.247	26%	0.257	C	S	.	.			trans	-61.5	161.5	177.9	-21.8	33.8	0	0	0	112.6	V264 L267 T268 P451	V264-P453 HydrophobicContact CG1-CB 4.36Å; L267-P453 HydrophobicContact CB-CG 3.98Å; L267-P453 HydrophobicContact CD1-CG 3.97Å; T268-P453 HydrophobicContact CG2-CB 3.56Å; T268-P453 HydrophobicContact CG2-CG 3.85Å; P451-P453 WeakPolarHBondContact O-CD 3.22Å
454	K	89.4	Confident	95.1	Very high	118 Å²	118	54 Å²	54	51%	0.513	28%	0.276	S	S	.	.			trans	-64.2	151	170	-65.1	172	-175.6	166.9	0	109.6	D310	D310-K454 IonicContact OD1-NZ 3.89Å; D310-K454 IonicContact OD2-NZ 2.91Å; D310-K454 PolarHBondContact OD2-NZ 2.88Å
455	L	82.5	Confident	95.4	Very high	250 Å²	250	57.9 Å²	57.9	100%	1.309	29%	0.294	S	S	*	.			trans	-63	0	179.7	-75.5	173.5	0	0	0	113.1

Retrieved 455 of 455 residues in 2102 ms (Link to these results)

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