A0A077Z0L9_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0L9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	41.9	Very low	230 Å²	230	147.2 Å²	147.2	100%	1.133	82%	0.818	S	S	*	*				0	133.4	0	-90.5	-176.9	167.6	0	0	107
2	L	34.5	Very low	41.9	Very low	142 Å²	142	154.6 Å²	154.6	74%	0.743	82%	0.824	S	S	*	*			trans	73.2	133.9	-178.2	-69.9	76.3	0	0	0	114.6
3	F	38.2	Very low	42.4	Very low	174 Å²	174	158.8 Å²	158.8	76%	0.763	83%	0.831	S	S	*	*			cis	-152.2	131.6	-7.2	-103	-72	0	0	0	106.1
4	L	38.2	Very low	43.1	Very low	180 Å²	180	156.7 Å²	156.7	94%	0.942	83%	0.829	S	S	*	*			trans	-104.5	116.6	165.9	-78.4	167.7	0	0	0	107.7
5	V	48.9	Very low	43.6	Very low	122 Å²	122	154.3 Å²	154.3	74%	0.739	82%	0.823	S	S	*	*			trans	-145.2	115.5	166.7	-173	0	0	0	0	103.6
6	G	40.7	Very low	43.7	Very low	64 Å²	64	154.4 Å²	154.4	66%	0.66	82%	0.822	S	S	*	*			cis	102.1	80.6	38.9	0	0	0	0	0	108
7	F	47	Very low	43.9	Very low	210 Å²	210	150.2 Å²	150.2	92%	0.921	81%	0.814	S	S	*	*			trans	-144.8	97.9	163.8	-93.4	-79.4	0	0	0	109.9
8	A	40.5	Very low	43.7	Very low	68 Å²	68	151.6 Å²	151.6	56%	0.562	81%	0.807	S	S	*	*			trans	-86.3	169.5	154.1	0	0	0	0	0	109
9	Y	42.4	Very low	43.5	Very low	234 Å²	234	148.2 Å²	148.2	92%	0.918	80%	0.796	S	S	*	*			trans	90.4	103.3	169	-52.1	-76	0	0	0	117
10	A	45.2	Very low	43.6	Very low	106 Å²	106	148 Å²	148	88%	0.876	79%	0.79	S	S	*	*				154.6	82.2	121	0	0	0	0	0	110.5
11	A	47.4	Very low	43.5	Very low	89 Å²	89	147.1 Å²	147.1	74%	0.736	78%	0.78	S	S	*	*			trans	-139.4	50	173.8	0	0	0	0	0	111.1
12	W	42.3	Very low	43.8	Very low	236 Å²	236	142.1 Å²	142.1	89%	0.894	75%	0.754	S	S	*	*			trans	-152.5	77.3	178	-73.6	86.9	0	0	0	109.4
13	F	48	Very low	44.3	Very low	210 Å²	210	138.5 Å²	138.5	92%	0.921	74%	0.74	S	S	*	*	S	Bend	trans	-165.2	9.1	162.6	-103.4	-64.2	0	0	0	116.4
14	T	52.7	Low	44.6	Very low	129 Å²	129	134.5 Å²	134.5	79%	0.791	73%	0.727	S	S	*	*	S	Bend	trans	-103.3	-4.9	-173	47.2	0	0	0	0	116.1	L16	T14-L16 PolarHBondContact O-N 3.33Å
15	T	50.6	Low	45.1	Very low	121 Å²	121	128.9 Å²	128.9	74%	0.742	70%	0.697	S	S	*	*	S	Bend	trans	-85.3	-9.4	-167.3	-14	0	0	0	0	115.8
16	L	45.5	Very low	45.3	Very low	156 Å²	156	129.4 Å²	129.4	82%	0.817	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-23.9	-175.1	-83.2	156.6	0	0	0	114.6	T14	T14-L16 PolarHBondContact O-N 3.33Å
17	A	47	Very low	46	Very low	82 Å²	82	128.7 Å²	128.7	68%	0.678	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-20.5	-178.1	0	0	0	0	0	113.8
18	Y	39.7	Very low	46.6	Very low	175 Å²	175	120.1 Å²	120.1	69%	0.686	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-36.3	-176.9	-169.6	-105.7	0	0	0	112.4	Q20	Y18-Q20 PolarHBondContact O-N 3.39Å
19	S	40.2	Very low	48.1	Very low	87 Å²	87	118.8 Å²	118.8	61%	0.608	63%	0.626	S	S	*	*	H	α-helix	trans	-71.2	-24.1	-175.3	-177.8	0	0	0	0	114.9
20	Q	45	Very low	50	Low	144 Å²	144	111.4 Å²	111.4	67%	0.673	60%	0.603	S	S	*	*	H	α-helix	trans	-86.1	-19.3	-177.4	-115.4	179.1	-28.8	0	0	113.6	Y18 S23	Y18-Q20 PolarHBondContact O-N 3.39Å; Q20-S23 PolarHBondContact O-OG 3.31Å
21	K	42.4	Very low	52.1	Low	131 Å²	131	108.5 Å²	108.5	57%	0.57	57%	0.572	S	S	*	*	H	α-helix	trans	-75.6	-41.2	178.4	-173.1	170	-179.6	174	0	111	S23 N24 D25	K21-S23 PolarHBondContact O-N 2.78Å; K21-N24 PolarHBondContact O-N 3.14Å; K21-D25 PolarHBondContact O-N 3.28Å
22	E	43.1	Very low	54.3	Low	125 Å²	125	104.3 Å²	104.3	58%	0.584	54%	0.538	S	S	*	.	H	α-helix	trans	-64.4	-39	-177.6	-149.1	163.7	-159.9	0	0	112.4	N24 E26	E22-N24 VanDerWaalsContact C-N 3.34Å; E22-N24 PolarHBondContact O-N 3.01Å; E22-E26 PolarHBondContact O-N 3.26Å
23	S	44.6	Very low	56.8	Low	65 Å²	65	97.2 Å²	97.2	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-68.8	-28.4	-179.2	65.7	0	0	0	0	114.6	Q20 K21	Q20-S23 PolarHBondContact O-OG 3.31Å; K21-S23 PolarHBondContact O-N 2.78Å
24	N	46	Very low	58.9	Low	91 Å²	91	92.7 Å²	92.7	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-89.7	-31	-176.4	-80.2	-20.8	0	0	0	112.8	K21 E22 E26 I28	K21-N24 PolarHBondContact O-N 3.14Å; E22-N24 VanDerWaalsContact C-N 3.34Å; E22-N24 PolarHBondContact O-N 3.01Å; N24-E26 VanDerWaalsContact C-N 3.34Å; N24-I28 WeakPolarHBondContact O-CD1 3.45Å; N24-I28 WeakPolarHBondContact O-CG1 3.44Å
25	D	48.4	Very low	61	Low	61 Å²	61	86.6 Å²	86.6	33%	0.326	46%	0.459	S	S	.	.	H	α-helix	trans	-72.1	-33.3	175.2	-69.5	-15.1	0	0	0	110.8	K21 I28 D29 K224	K21-D25 PolarHBondContact O-N 3.28Å; D25-I28 PolarHBondContact O-N 3.39Å; D25-D29 PolarHBondContact O-N 3.13Å; D25-K224 IonicContact OD1-NZ 3.03Å
26	E	52	Low	63.3	Low	133 Å²	133	81.7 Å²	81.7	62%	0.621	43%	0.427	S	S	*	.	H	α-helix	trans	-62.4	-42.5	173.3	-166.3	173.5	-175.2	0	0	111.9	E22 N24 I28 D29 L30	E22-E26 PolarHBondContact O-N 3.26Å; N24-E26 VanDerWaalsContact C-N 3.34Å; E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 3.06Å; E26-D29 PolarHBondContact O-N 3.09Å; E26-L30 WeakPolarHBondContact O-CD1 3.45Å; E26-L30 WeakPolarHBondContact O-CG 3.44Å; E26-L30 PolarHBondContact O-N 3.49Å; E26-L30 VanDerWaalsContact O-N 3.15Å
27	A	56.1	Low	65.7	Low	49 Å²	49	77.6 Å²	77.6	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-28.9	178.1	0	0	0	0	0	113.9
28	I	59.9	Low	68	Low	31 Å²	31	78.6 Å²	78.6	16%	0.159	39%	0.394	C	S	.	.	H	α-helix	trans	-80.3	-37.4	-177.6	-63.2	165.1	0	0	0	111.2	N24 D25 E26 L30 K224 D226	N24-I28 WeakPolarHBondContact O-CD1 3.45Å; N24-I28 WeakPolarHBondContact O-CG1 3.44Å; D25-I28 PolarHBondContact O-N 3.39Å; E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 3.06Å; I28-L30 VanDerWaalsContact C-N 3.27Å; I28-L30 PolarHBondContact O-N 3.12Å; I28-K224 HydrophobicContact CD1-CD 3.81Å; I28-K224 HydrophobicContact CD1-CG 4.34Å; I28-D226 HydrophobicContact CG2-CB 3.28Å
29	D	71.5	Confident	70.5	Confident	39 Å²	39	71.6 Å²	71.6	21%	0.209	37%	0.37	C	S	.	.	H	α-helix	trans	-72.7	-24.5	175.5	-162.2	49.1	0	0	0	112.1	D25 E26 D31 L32 Q33 R62	D25-D29 PolarHBondContact O-N 3.13Å; E26-D29 PolarHBondContact O-N 3.09Å; D29-D31 PolarHBondContact O-N 3.42Å; D29-L32 PolarHBondContact O-N 2.63Å; D29-Q33 WeakPolarHBondContact O-CG 3.5Å; D29-Q33 PolarHBondContact O-N 3.27Å; D29-Q33 PolarHBondContact OD2-NE2 2.96Å; D29-R62 IonicContact OD1-NH2 3.92Å
30	L	82.1	Confident	72.9	Confident	80 Å²	80	69.4 Å²	69.4	42%	0.419	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-41.9	173.9	-76.9	165.2	0	0	0	112.7	E26 I28 L32 Q33 Q34	E26-L30 WeakPolarHBondContact O-CD1 3.45Å; E26-L30 WeakPolarHBondContact O-CG 3.44Å; E26-L30 PolarHBondContact O-N 3.49Å; E26-L30 VanDerWaalsContact O-N 3.15Å; I28-L30 VanDerWaalsContact C-N 3.27Å; I28-L30 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.44Å; L30-Q33 PolarHBondContact O-N 3.44Å; L30-Q34 WeakPolarHBondContact O-CB 3.36Å; L30-Q34 WeakPolarHBondContact O-CG 3.49Å; L30-Q34 PolarHBondContact O-N 2.97Å
31	D	89	Confident	75	Confident	45 Å²	45	66.7 Å²	66.7	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-65.6	-39	178.6	-80.6	-5.5	0	0	0	111.2	D29 Q34 C35 A234	D29-D31 PolarHBondContact O-N 3.42Å; D31-Q34 PolarHBondContact O-N 3.08Å; D31-C35 PolarHBondContact O-N 3.46Å; D31-A234 HydrophobicContact CB-CB 4.27Å; D31-A234 VanDerWaalsContact O-CB 3.27Å; D31-A234 WeakPolarHBondContact O-CB 3.49Å
32	L	94.8	Very high	77.3	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-50	174.2	177.6	63.6	0	0	0	110.9	D29 L30 Q34 C35 F36 D58 L61 R62 L65 V232	D29-L32 PolarHBondContact O-N 2.63Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.44Å; L32-Q34 PolarHBondContact O-N 2.92Å; L32-C35 PolarHBondContact O-N 2.97Å; L32-F36 HydrophobicContact CD1-CE2 4.22Å; L32-F36 WeakPolarHBondContact O-CD2 3.44Å; L32-D58 HydrophobicContact CD2-CB 3.92Å; L32-L61 HydrophobicContact CD1-CB 3.78Å; L32-L61 HydrophobicContact CD2-CB 4.26Å; L32-L61 HydrophobicContact CG-CB 4.09Å; L32-L61 HydrophobicContact CG-CD1 4.33Å; L32-R62 HydrophobicContact CD1-CG 4.04Å; L32-R62 HydrophobicContact CD2-CG 3.86Å; L32-L65 HydrophobicContact CD1-CD1 3.72Å; L32-V232 HydrophobicContact CD1-CG2 4.17Å
33	Q	93.3	Very high	79.7	Confident	87 Å²	87	61.9 Å²	61.9	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-36.8	-178.3	-66.4	-177.9	40.7	0	0	112.5	D29 L30 C35 F36	D29-Q33 WeakPolarHBondContact O-CG 3.5Å; D29-Q33 PolarHBondContact O-N 3.27Å; D29-Q33 PolarHBondContact OD2-NE2 2.96Å; L30-Q33 PolarHBondContact O-N 3.44Å; Q33-C35 PolarHBondContact O-N 3.1Å; Q33-F36 PolarHBondContact O-N 3.02Å
34	Q	94	Very high	82	Confident	114 Å²	114	58.9 Å²	58.9	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-23.8	177.3	-78.7	173.7	41	0	0	113.6	L30 D31 L32 F36 A234	L30-Q34 WeakPolarHBondContact O-CB 3.36Å; L30-Q34 WeakPolarHBondContact O-CG 3.49Å; L30-Q34 PolarHBondContact O-N 2.97Å; D31-Q34 PolarHBondContact O-N 3.08Å; L32-Q34 PolarHBondContact O-N 2.92Å; Q34-F36 PolarHBondContact O-N 2.99Å; Q34-A234 HydrophobicContact CB-CB 3.7Å
35	C	96.9	Very high	84.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.007	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-10.8	173.7	-78.6	0	0	0	0	113.9	D31 L32 Q33 L65 T118 C119	D31-C35 PolarHBondContact O-N 3.46Å; L32-C35 PolarHBondContact O-N 2.97Å; Q33-C35 PolarHBondContact O-N 3.1Å; C35-L65 HydrophobicContact CB-CD2 4.42Å; C35-T118 PolarHBondContact O-N 2.88Å; C35-T118 PolarHBondContact O-OG1 3.36Å; C35-C119 WeakPolarHBondContact CA-SG 3.21Å; C35-C119 HydrophobicContact CB-CB 3.68Å; C35-C119 WeakPolarHBondContact CB-SG 3.48Å; C35-C119 WeakPolarHBondContact SG-CB 3.47Å; C35-C119 CovalentContact SG-SG 2.04Å; C35-C119 PolarHBondContact SG-SG 2.84Å
36	F	97.2	Very high	86.2	Confident	19 Å²	19	57.9 Å²	57.9	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	-172.4	-66.3	-87.9	0	0	0	113.8	L32 Q33 Q34 L61 C64 L65 F115 E116 N117	L32-F36 HydrophobicContact CD1-CE2 4.22Å; L32-F36 WeakPolarHBondContact O-CD2 3.44Å; Q33-F36 PolarHBondContact O-N 3.02Å; Q34-F36 PolarHBondContact O-N 2.99Å; F36-L61 HydrophobicContact CB-CD2 4.41Å; F36-L61 HydrophobicContact CD1-CD2 3.88Å; F36-L61 HydrophobicContact CD2-CB 4.02Å; F36-L61 HydrophobicContact CD2-CD1 3.89Å; F36-L61 HydrophobicContact CD2-CD2 3.93Å; F36-L61 HydrophobicContact CD2-CG 4.15Å; F36-L61 HydrophobicContact CE1-CD2 4.04Å; F36-L61 HydrophobicContact CE2-CB 3.66Å; F36-L61 HydrophobicContact CE2-CD1 4.4Å; F36-L61 HydrophobicContact CE2-CD2 4.14Å; F36-L61 HydrophobicContact CE2-CG 4.26Å; F36-L61 HydrophobicContact CG-CD1 4.29Å; F36-L61 HydrophobicContact CG-CD2 3.8Å; F36-L61 HydrophobicContact CG-CG 4.48Å; F36-L61 HydrophobicContact CZ-CB 4.06Å; F36-L61 HydrophobicContact CZ-CD2 4.18Å; F36-L61 WeakPolarHBondContact CZ-O 3.38Å; F36-C64 HydrophobicContact CE1-CB 4.13Å; F36-C64 HydrophobicContact CZ-CB 3.97Å; F36-L65 HydrophobicContact CE2-CD1 4.12Å; F36-L65 HydrophobicContact CE2-CD2 4.1Å; F36-L65 HydrophobicContact CE2-CG 3.91Å; F36-L65 HydrophobicContact CZ-CD2 3.95Å; F36-L65 HydrophobicContact CZ-CG 3.89Å; F36-F115 HydrophobicContact CB-CB 4.23Å; F36-F115 HydrophobicContact CB-CD1 4.36Å; F36-F115 HydrophobicContact CD1-CB 3.75Å; F36-F115 HydrophobicContact CG-CB 4.29Å; F36-E116 VanDerWaalsContact CA-O 3.31Å; F36-E116 WeakPolarHBondContact CA-O 3.48Å; F36-N117 HydrophobicContact CD1-CB 4.13Å; F36-N117 HydrophobicContact CE1-CB 3.69Å; F36-N117 HydrophobicContact CZ-CB 4.39Å
37	E	95.7	Very high	88.2	Confident	70 Å²	70	54 Å²	54	33%	0.327	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.5	163.5	-73.3	170.5	-153.3	0	0	108.7	R94 F115 E116 T118 R123	E37-R94 IonicContact OE2-NH2 3.63Å; E37-R94 PolarHBondContact OE2-NH2 2.64Å; E37-F115 WeakPolarHBondContact O-CA 3.43Å; E37-E116 HydrophobicContact CB-CB 4.31Å; E37-E116 PolarHBondContact N-O 2.93Å; E37-E116 PolarHBondContact O-N 2.86Å; E37-T118 HydrophobicContact CB-CG2 4.36Å; E37-T118 HydrophobicContact CG-CG2 3.72Å; E37-R123 IonicContact OE1-NH2 3.44Å
38	H	95.5	Very high	90.1	Very high	102 Å²	102	55.3 Å²	55.3	47%	0.472	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136	179.4	176.2	-121.7	0	0	0	112.1	H113 Y114 F115	H38-H113 AromaticContact CE1-ND1 3.79Å; H38-H113 AromaticContact NE2-CG 3.89Å; H38-H113 AromaticContact NE2-ND1 3.35Å; H38-H113 PolarHBondContact NE2-ND1 3.34Å; H38-Y114 PolarHBondContact CD2-O 3.4Å; H38-Y114 VanDerWaalsContact CD2-O 3.27Å; H38-F115 HydrophobicContact CB-CD1 3.87Å; H38-F115 HydrophobicContact CB-CE1 3.87Å; H38-F115 AromaticContact CD2-CD1 3.71Å; H38-F115 AromaticContact CD2-CE1 3.3Å; H38-F115 WeakPolarHBondContact CD2-CE1 3.04Å; H38-F115 AromaticContact CD2-CZ 3.68Å; H38-F115 AromaticContact CG-CE1 3.73Å
39	V	93.7	Very high	91.9	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.176	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.9	168.3	-172	0	0	0	0	108.3	R42 F101 Y114	V39-R42 HydrophobicContact CG1-CB 4.15Å; V39-R42 HydrophobicContact CG1-CG 4.19Å; V39-F101 HydrophobicContact CB-CZ 4.16Å; V39-F101 HydrophobicContact CG1-CE1 4.46Å; V39-F101 HydrophobicContact CG1-CZ 3.96Å; V39-F101 HydrophobicContact CG2-CZ 4.38Å; V39-Y114 HydrophobicContact CB-CD1 4.08Å; V39-Y114 HydrophobicContact CG2-CD1 4.16Å; V39-Y114 PolarHBondContact N-O 2.99Å; V39-Y114 PolarHBondContact O-N 3.4Å
40	G	90.5	Very high	93.1	Very high	40 Å²	40	57.3 Å²	57.3	41%	0.412	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	148.2	178.2	0	0	0	0	0	112.8	R42	G40-R42 PolarHBondContact O-N 2.98Å; G40-R42 VanDerWaalsContact O-N 3.12Å
41	N	88.6	Confident	93.8	Very high	88 Å²	88	57.6 Å²	57.6	47%	0.471	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.7	172.6	-69.7	-9.2	0	0	0	114.7	E103 P104 V112	N41-E103 WeakPolarHBondContact O-CG 3.35Å; N41-P104 WeakPolarHBondContact O-CD 3.17Å; N41-V112 VanDerWaalsContact CA-O 3.3Å; N41-V112 WeakPolarHBondContact CA-O 3.41Å; N41-V112 PolarHBondContact N-O 3.39Å
42	R	91.1	Very high	94.2	Very high	88 Å²	88	57.3 Å²	57.3	33%	0.332	31%	0.313	S	S	.	.			trans	-131.9	155.9	170.7	-70.4	-165.8	172.7	-146.3	-1.7	110	V39 G40 F101 T102 E103 Y114	V39-R42 HydrophobicContact CG1-CB 4.15Å; V39-R42 HydrophobicContact CG1-CG 4.19Å; G40-R42 PolarHBondContact O-N 2.98Å; G40-R42 VanDerWaalsContact O-N 3.12Å; R42-F101 HydrophobicContact CB-CD2 4.43Å; R42-F101 HydrophobicContact CB-CE1 4.15Å; R42-F101 HydrophobicContact CB-CE2 3.64Å; R42-F101 HydrophobicContact CB-CZ 3.48Å; R42-F101 VanDerWaalsContact CB-CZ 3.48Å; R42-F101 VanDerWaalsContact CD-CE1 3.48Å; R42-F101 HydrophobicContact CG-CE1 4.45Å; R42-F101 HydrophobicContact CG-CZ 4.21Å; R42-T102 CarbonylContact C-O 3.35Å; R42-T102 VanDerWaalsContact CA-O 3.28Å; R42-T102 WeakPolarHBondContact CA-O 3.5Å; R42-E103 HydrophobicContact CG-CG 3.74Å; R42-E103 IonicContact CZ-OE1 3.35Å; R42-E103 IonicContact NE-OE1 3.19Å; R42-E103 PolarHBondContact NE-OE1 3.22Å; R42-E103 IonicContact NH2-OE1 2.67Å; R42-E103 PolarHBondContact NH2-OE1 3.37Å; R42-Y114 VanDerWaalsContact O-CB 3.24Å; R42-Y114 WeakPolarHBondContact O-CB 3.28Å
43	W	92	Very high	94.3	Very high	67 Å²	67	64.6 Å²	64.6	25%	0.254	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.5	179	74.5	-21.1	0	0	0	111.5	V45 M79 F101 T102 V112	W43-V45 HydrophobicContact CD2-CG2 4.2Å; W43-V45 HydrophobicContact CG-CG2 4.28Å; W43-V45 HydrophobicContact CZ2-CG2 4.1Å; W43-V45 VanDerWaalsContact NE1-CG2 3.29Å; W43-M79 VanDerWaalsContact CA-SD 3.54Å; W43-M79 HydrophobicContact CB-SD 3.5Å; W43-M79 WeakPolarHBondContact CB-SD 3.37Å; W43-F101 WeakPolarHBondContact O-CA 3.47Å; W43-T102 PolarHBondContact N-O 2.83Å; W43-T102 PolarHBondContact O-N 2.99Å; W43-V112 HydrophobicContact CB-CB 4.37Å; W43-V112 HydrophobicContact CB-CG1 3.81Å; W43-V112 HydrophobicContact CB-CG2 4.45Å; W43-V112 HydrophobicContact CE3-CG2 4.27Å
44	L	93.4	Very high	94.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.6	178.4	178.7	59.5	0	0	0	109	F47 M79 E92 Q97 L100 Y114	L44-F47 HydrophobicContact CD1-CD2 3.74Å; L44-F47 HydrophobicContact CD1-CE2 4.2Å; L44-F47 HydrophobicContact CD2-CB 4.06Å; L44-F47 HydrophobicContact CD2-CD2 4.22Å; L44-F47 HydrophobicContact CD2-CG 4.45Å; L44-F47 HydrophobicContact CG-CB 4.16Å; L44-F47 HydrophobicContact CG-CD2 3.8Å; L44-F47 HydrophobicContact CG-CG 4.4Å; L44-M79 HydrophobicContact CB-SD 4.17Å; L44-M79 PolarHBondContact N-SD 3.18Å; L44-M79 WeakPolarHBondContact O-CE 3.44Å; L44-E92 HydrophobicContact CD2-CB 3.73Å; L44-Q97 HydrophobicContact CD1-CB 3.59Å; L44-Q97 HydrophobicContact CD1-CG 4.48Å; L44-L100 WeakPolarHBondContact CA-O 3.26Å; L44-L100 HydrophobicContact CD1-CB 4.12Å; L44-Y114 HydrophobicContact CB-CE2 4.22Å
45	V	91.8	Very high	94.4	Very high	58 Å²	58	65 Å²	65	35%	0.352	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	132.1	-171.8	-178.5	0	0	0	0	111	W43 F47 L100 T102	W43-V45 HydrophobicContact CD2-CG2 4.2Å; W43-V45 HydrophobicContact CG-CG2 4.28Å; W43-V45 HydrophobicContact CZ2-CG2 4.1Å; W43-V45 VanDerWaalsContact NE1-CG2 3.29Å; V45-F47 WeakPolarHBondContact O-CD2 3.22Å; V45-F47 PolarHBondContact O-N 3.43Å; V45-L100 PolarHBondContact N-O 2.76Å; V45-T102 HydrophobicContact CG2-CG2 3.8Å
46	G	91.5	Very high	94.2	Very high	73 Å²	73	70 Å²	70	75%	0.753	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-1.5	168.5	0	0	0	0	0	116.4
47	F	93.5	Very high	94	Very high	52 Å²	52	73.1 Å²	73.1	23%	0.228	38%	0.375	C	S	.	.			trans	-109.8	44.7	-178.6	-62.1	-80.4	0	0	0	113.4	L44 V45 T49 S90 E92 Q97 L100	L44-F47 HydrophobicContact CD1-CD2 3.74Å; L44-F47 HydrophobicContact CD1-CE2 4.2Å; L44-F47 HydrophobicContact CD2-CB 4.06Å; L44-F47 HydrophobicContact CD2-CD2 4.22Å; L44-F47 HydrophobicContact CD2-CG 4.45Å; L44-F47 HydrophobicContact CG-CB 4.16Å; L44-F47 HydrophobicContact CG-CD2 3.8Å; L44-F47 HydrophobicContact CG-CG 4.4Å; V45-F47 WeakPolarHBondContact O-CD2 3.22Å; V45-F47 PolarHBondContact O-N 3.43Å; F47-T49 PolarHBondContact O-N 3Å; F47-S90 WeakPolarHBondContact O-CB 3.45Å; F47-S90 PolarHBondContact O-OG 2.88Å; F47-E92 HydrophobicContact CB-CB 4.02Å; F47-E92 HydrophobicContact CB-CG 4.03Å; F47-E92 HydrophobicContact CD1-CB 4.3Å; F47-E92 HydrophobicContact CD1-CG 3.56Å; F47-E92 HydrophobicContact CE1-CG 4.2Å; F47-E92 HydrophobicContact CG-CB 4.14Å; F47-E92 HydrophobicContact CG-CG 3.9Å; F47-Q97 HydrophobicContact CD1-CG 4.27Å; F47-Q97 HydrophobicContact CD2-CB 4.17Å; F47-Q97 HydrophobicContact CD2-CG 3.91Å; F47-Q97 HydrophobicContact CE1-CG 3.87Å; F47-Q97 HydrophobicContact CE2-CB 3.67Å; F47-Q97 HydrophobicContact CE2-CG 3.44Å; F47-Q97 VanDerWaalsContact CE2-CG 3.44Å; F47-Q97 HydrophobicContact CG-CG 4.28Å; F47-Q97 HydrophobicContact CZ-CB 4.11Å; F47-Q97 HydrophobicContact CZ-CG 3.44Å; F47-Q97 VanDerWaalsContact CZ-CG 3.44Å; F47-L100 HydrophobicContact CD2-CD1 4.37Å; F47-L100 HydrophobicContact CE2-CB 3.94Å; F47-L100 HydrophobicContact CE2-CD1 3.26Å; F47-L100 HydrophobicContact CE2-CG 4.19Å; F47-L100 HydrophobicContact CZ-CD1 3.67Å
48	T	95.6	Very high	94	Very high	76 Å²	76	71.4 Å²	71.4	47%	0.466	37%	0.368	S	S	.	.			trans	-76.6	115.5	173.9	-59.9	0	0	0	0	110.3	L51 I88	T48-L51 HydrophobicContact CG2-CB 4.25Å; T48-I88 HydrophobicContact CG2-CG2 3.78Å; T48-I88 VanDerWaalsContact OG1-CG2 3.3Å; T48-I88 WeakPolarHBondContact OG1-CG2 3.47Å
49	T	97.5	Very high	93.9	Very high	56 Å²	56	68.1 Å²	68.1	34%	0.344	35%	0.354	S	S	.	.	S	Bend	trans	-89.3	-42.4	170.2	-54.3	0	0	0	0	110.9	F47 F73 L89 Q91	F47-T49 PolarHBondContact O-N 3Å; T49-F73 HydrophobicContact CG2-CD1 3.78Å; T49-F73 HydrophobicContact CG2-CD2 3.93Å; T49-F73 HydrophobicContact CG2-CE1 3.73Å; T49-F73 HydrophobicContact CG2-CE2 3.89Å; T49-F73 HydrophobicContact CG2-CG 3.88Å; T49-F73 HydrophobicContact CG2-CZ 3.79Å; T49-L89 WeakPolarHBondContact CA-O 3.42Å; T49-L89 WeakPolarHBondContact CB-O 3.1Å; T49-L89 PolarHBondContact N-O 2.96Å; T49-Q91 HydrophobicContact CG2-CG 4.1Å; T49-Q91 PolarHBondContact OG1-N 2.84Å
50	H	97.7	Very high	94.1	Very high	56 Å²	56	66.8 Å²	66.8	26%	0.259	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.5	178	-173.2	68.2	0	0	0	110.6	H71 F73 L89	H50-H71 AromaticContact CD2-CD2 3.93Å; H50-H71 AromaticContact CD2-CE1 3.96Å; H50-H71 AromaticContact CD2-NE2 3.5Å; H50-H71 AromaticContact CE1-CE1 3.62Å; H50-H71 AromaticContact CE1-NE2 3.94Å; H50-H71 AromaticContact NE2-CE1 3.52Å; H50-H71 AromaticContact NE2-NE2 3.44Å; H50-H71 PolarHBondContact NE2-NE2 2.88Å; H50-F73 HydrophobicContact CB-CE1 3.97Å; H50-F73 HydrophobicContact CB-CZ 4.02Å; H50-L89 HydrophobicContact CB-CB 4.21Å; H50-L89 HydrophobicContact CB-CD1 4.32Å; H50-L89 PolarHBondContact N-O 2.93Å; H50-L89 VanDerWaalsContact N-O 3.16Å; H50-L89 PolarHBondContact O-N 2.84Å
51	L	97.2	Very high	94.4	Very high	85 Å²	85	65 Å²	65	45%	0.445	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	176.7	-175.5	155.2	0	0	0	108.6	T48 C87 I88	T48-L51 HydrophobicContact CG2-CB 4.25Å; L51-C87 WeakPolarHBondContact CA-O 3.27Å; L51-I88 HydrophobicContact CD1-CG1 4.34Å
52	T	97.1	Very high	94.8	Very high	39 Å²	39	61.3 Å²	61.3	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.6	177.8	-172	0	0	0	0	111.1	V54 E63 C87	T52-V54 HydrophobicContact CG2-CG1 4.09Å; T52-E63 HydrophobicContact CG2-CB 4.43Å; T52-E63 HydrophobicContact CG2-CG 4.24Å; T52-C87 HydrophobicContact CG2-CB 3.94Å; T52-C87 PolarHBondContact N-O 3.19Å; T52-C87 PolarHBondContact O-N 3.3Å
53	K	97.3	Very high	95.1	Very high	154 Å²	154	59.1 Å²	59.1	67%	0.67	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.1	175.3	-67.3	-163.2	173.8	-163.1	0	110.4	G85 E86	K53-G85 CarbonylContact C-O 3.57Å; K53-G85 VanDerWaalsContact CA-O 3.3Å; K53-G85 WeakPolarHBondContact CA-O 3.35Å; K53-E86 HydrophobicContact CG-CG 4.45Å
54	V	95.8	Very high	95.4	Very high	18 Å²	18	56 Å²	56	11%	0.109	29%	0.289	C	S	.	.			trans	-137.1	155.1	178.1	-58.4	0	0	0	0	110.4	T52 D59 C60 E63 Y80 G85 C87	T52-V54 HydrophobicContact CG2-CG1 4.09Å; V54-D59 HydrophobicContact CB-CB 3.78Å; V54-D59 HydrophobicContact CG1-CB 4.08Å; V54-D59 HydrophobicContact CG2-CB 4.47Å; V54-C60 HydrophobicContact CG2-CB 4.03Å; V54-E63 HydrophobicContact CG1-CG 4.24Å; V54-Y80 HydrophobicContact CG2-CD2 3.73Å; V54-Y80 HydrophobicContact CG2-CE2 3.65Å; V54-G85 PolarHBondContact N-O 2.89Å; V54-G85 CarbonylContact O-C 3.36Å; V54-G85 WeakPolarHBondContact O-CA 3.47Å; V54-C87 HydrophobicContact CB-CB 4.45Å; V54-C87 HydrophobicContact CG1-CB 3.86Å; V54-C87 HydrophobicContact CG2-CB 3.72Å
55	R	92.5	Very high	95.6	Very high	192 Å²	192	56.1 Å²	56.1	73%	0.725	29%	0.289	S	S	*	.	S	Bend	trans	-85.6	-35.4	-178.1	-172.4	176.5	173.8	-169	-2.8	112.2	Y80	R55-Y80 PolarHBondContact O-OH 3.11Å
56	F	92.3	Very high	95.9	Very high	105 Å²	105	55 Å²	55	46%	0.461	28%	0.279	S	S	.	.	S	Bend	trans	-133.3	160.6	-175.1	-56.6	-67.2	0	0	0	111.9	D58 D59 C60	F56-D58 PolarHBondContact O-N 3.28Å; F56-D59 PolarHBondContact N-OD2 3.45Å; F56-D59 WeakPolarHBondContact O-CB 3.2Å; F56-D59 PolarHBondContact O-N 3.47Å; F56-C60 PolarHBondContact O-N 2.88Å
57	K	94	Very high	96.2	Very high	86 Å²	86	51.6 Å²	51.6	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-37.9	177.5	71.3	-178.5	-177	170.4	0	111.8	D59 C60 L61 Y80 F115	K57-D59 VanDerWaalsContact C-N 3.31Å; K57-D59 PolarHBondContact O-N 2.79Å; K57-C60 WeakPolarHBondContact O-CA 3.23Å; K57-C60 WeakPolarHBondContact O-CB 3.42Å; K57-C60 PolarHBondContact O-N 3.26Å; K57-L61 WeakPolarHBondContact O-CG 3.06Å; K57-L61 PolarHBondContact O-N 3.02Å; K57-L61 VanDerWaalsContact O-N 3.07Å; K57-Y80 HydrophobicContact CB-CD1 3.64Å; K57-Y80 HydrophobicContact CB-CE1 4.09Å; K57-Y80 HydrophobicContact CB-CG 4.09Å; K57-F115 HydrophobicContact CB-CE2 4.47Å; K57-F115 HydrophobicContact CB-CZ 4.17Å; K57-F115 HydrophobicContact CD-CZ 4.41Å
58	D	94.6	Very high	96.3	Very high	33 Å²	33	50.7 Å²	50.7	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-72.2	-29.1	-175.1	-53.3	-37.5	0	0	0	111.4	L32 F56 C60 L61 R62	L32-D58 HydrophobicContact CD2-CB 3.92Å; F56-D58 PolarHBondContact O-N 3.28Å; D58-C60 VanDerWaalsContact C-N 3.31Å; D58-L61 PolarHBondContact O-N 3.07Å; D58-R62 WeakPolarHBondContact O-CG 3.46Å; D58-R62 PolarHBondContact O-N 3.28Å; D58-R62 PolarHBondContact O-NH1 2.89Å
59	D	94.9	Very high	96.2	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-42.1	168.3	-62.5	-35.1	0	0	0	110.4	V54 F56 K57 L61 R62 E63 H228	V54-D59 HydrophobicContact CB-CB 3.78Å; V54-D59 HydrophobicContact CG1-CB 4.08Å; V54-D59 HydrophobicContact CG2-CB 4.47Å; F56-D59 PolarHBondContact N-OD2 3.45Å; F56-D59 WeakPolarHBondContact O-CB 3.2Å; F56-D59 PolarHBondContact O-N 3.47Å; K57-D59 VanDerWaalsContact C-N 3.31Å; K57-D59 PolarHBondContact O-N 2.79Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.08Å; D59-R62 PolarHBondContact O-N 3.08Å; D59-E63 WeakPolarHBondContact O-CG 3.1Å; D59-E63 PolarHBondContact O-N 2.93Å; D59-H228 IonicContact OD1-NE2 2.75Å
60	C	97.3	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-42.7	175.8	-170.5	0	0	0	0	112	V54 F56 K57 D58 E63 C64 Y80 C87	V54-C60 HydrophobicContact CG2-CB 4.03Å; F56-C60 PolarHBondContact O-N 2.88Å; K57-C60 WeakPolarHBondContact O-CA 3.23Å; K57-C60 WeakPolarHBondContact O-CB 3.42Å; K57-C60 PolarHBondContact O-N 3.26Å; D58-C60 VanDerWaalsContact C-N 3.31Å; C60-E63 PolarHBondContact O-N 2.95Å; C60-C64 PolarHBondContact O-N 3.32Å; C60-Y80 HydrophobicContact CB-CD2 4.38Å; C60-C87 WeakPolarHBondContact CA-SG 3.29Å; C60-C87 HydrophobicContact CB-CB 3.66Å; C60-C87 WeakPolarHBondContact CB-SG 3.36Å; C60-C87 VanDerWaalsContact SG-CA 3.6Å; C60-C87 WeakPolarHBondContact SG-CB 3.37Å; C60-C87 CovalentContact SG-SG 2.03Å; C60-C87 PolarHBondContact SG-SG 3.08Å
61	L	97.6	Very high	96	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-43.1	176.6	-58.2	-171.3	0	0	0	111.7	L32 F36 K57 D58 D59 C64 L65 F115	L32-L61 HydrophobicContact CD1-CB 3.78Å; L32-L61 HydrophobicContact CD2-CB 4.26Å; L32-L61 HydrophobicContact CG-CB 4.09Å; L32-L61 HydrophobicContact CG-CD1 4.33Å; F36-L61 HydrophobicContact CB-CD2 4.41Å; F36-L61 HydrophobicContact CD1-CD2 3.88Å; F36-L61 HydrophobicContact CD2-CB 4.02Å; F36-L61 HydrophobicContact CD2-CD1 3.89Å; F36-L61 HydrophobicContact CD2-CD2 3.93Å; F36-L61 HydrophobicContact CD2-CG 4.15Å; F36-L61 HydrophobicContact CE1-CD2 4.04Å; F36-L61 HydrophobicContact CE2-CB 3.66Å; F36-L61 HydrophobicContact CE2-CD1 4.4Å; F36-L61 HydrophobicContact CE2-CD2 4.14Å; F36-L61 HydrophobicContact CE2-CG 4.26Å; F36-L61 HydrophobicContact CG-CD1 4.29Å; F36-L61 HydrophobicContact CG-CD2 3.8Å; F36-L61 HydrophobicContact CG-CG 4.48Å; F36-L61 HydrophobicContact CZ-CB 4.06Å; F36-L61 HydrophobicContact CZ-CD2 4.18Å; F36-L61 WeakPolarHBondContact CZ-O 3.38Å; K57-L61 WeakPolarHBondContact O-CG 3.06Å; K57-L61 PolarHBondContact O-N 3.02Å; K57-L61 VanDerWaalsContact O-N 3.07Å; D58-L61 PolarHBondContact O-N 3.07Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.08Å; L61-C64 WeakPolarHBondContact O-CB 3.08Å; L61-C64 PolarHBondContact O-N 2.88Å; L61-L65 PolarHBondContact O-N 2.89Å; L61-L65 VanDerWaalsContact O-N 3.07Å; L61-F115 HydrophobicContact CD2-CB 3.71Å; L61-F115 HydrophobicContact CD2-CD1 3.72Å; L61-F115 HydrophobicContact CD2-CD2 3.69Å; L61-F115 HydrophobicContact CD2-CE1 4.19Å; L61-F115 HydrophobicContact CD2-CE2 4.16Å; L61-F115 HydrophobicContact CD2-CG 3.43Å; L61-F115 VanDerWaalsContact CD2-CG 3.43Å; L61-F115 HydrophobicContact CD2-CZ 4.4Å
62	R	96.6	Very high	95.9	Very high	11 Å²	11	53.2 Å²	53.2	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-44.5	174.8	-72.2	-178.3	-176.2	78.2	5.8	111.3	D29 L32 D58 D59 C64 L65 K66 D226 H228	D29-R62 IonicContact OD1-NH2 3.92Å; L32-R62 HydrophobicContact CD1-CG 4.04Å; L32-R62 HydrophobicContact CD2-CG 3.86Å; D58-R62 WeakPolarHBondContact O-CG 3.46Å; D58-R62 PolarHBondContact O-N 3.28Å; D58-R62 PolarHBondContact O-NH1 2.89Å; D59-R62 PolarHBondContact O-N 3.08Å; R62-C64 VanDerWaalsContact C-N 3.3Å; R62-C64 PolarHBondContact O-N 3.18Å; R62-L65 PolarHBondContact O-N 3.31Å; R62-K66 WeakPolarHBondContact O-CB 3.48Å; R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 2.89Å; R62-D226 IonicContact CZ-OD2 3.71Å; R62-D226 VanDerWaalsContact CZ-OD2 3.31Å; R62-D226 IonicContact NE-OD2 2.85Å; R62-D226 PolarHBondContact NE-OD2 2.8Å; R62-D226 IonicContact NH2-OD2 3.8Å; R62-D226 PolarHBondContact NH2-OD2 3.49Å; R62-H228 PolarHBondContact NH2-ND1 3.02Å
63	E	97.4	Very high	95.9	Very high	42 Å²	42	52.2 Å²	52.2	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-37.3	177	-67.9	-48.2	119.3	0	0	112.2	T52 V54 D59 C60 K66 A67 L89	T52-E63 HydrophobicContact CG2-CB 4.43Å; T52-E63 HydrophobicContact CG2-CG 4.24Å; V54-E63 HydrophobicContact CG1-CG 4.24Å; D59-E63 WeakPolarHBondContact O-CG 3.1Å; D59-E63 PolarHBondContact O-N 2.93Å; C60-E63 PolarHBondContact O-N 2.95Å; E63-K66 PolarHBondContact O-N 2.63Å; E63-K66 IonicContact OE1-NZ 3.57Å; E63-K66 PolarHBondContact OE1-NZ 3.02Å; E63-A67 PolarHBondContact O-N 2.85Å; E63-L89 HydrophobicContact CB-CD1 4.33Å
64	C	98.4	Very high	95.9	Very high	2 Å²	2	47 Å²	47	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-48.4	172.7	-176.2	0	0	0	0	112.2	F36 C60 L61 R62 K66 A67 C75 A78 L89	F36-C64 HydrophobicContact CE1-CB 4.13Å; F36-C64 HydrophobicContact CZ-CB 3.97Å; C60-C64 PolarHBondContact O-N 3.32Å; L61-C64 WeakPolarHBondContact O-CB 3.08Å; L61-C64 PolarHBondContact O-N 2.88Å; R62-C64 VanDerWaalsContact C-N 3.3Å; R62-C64 PolarHBondContact O-N 3.18Å; C64-K66 VanDerWaalsContact C-N 3.31Å; C64-K66 PolarHBondContact O-N 3.35Å; C64-A67 VanDerWaalsContact O-CB 3.28Å; C64-A67 WeakPolarHBondContact O-CB 3.46Å; C64-A67 PolarHBondContact O-N 3.36Å; C64-C75 WeakPolarHBondContact CA-SG 2.99Å; C64-C75 HydrophobicContact CB-CB 4.02Å; C64-C75 WeakPolarHBondContact CB-SG 3.3Å; C64-C75 WeakPolarHBondContact O-CB 3.08Å; C64-C75 WeakPolarHBondContact SG-CB 3.03Å; C64-C75 CovalentContact SG-SG 2.04Å; C64-C75 PolarHBondContact SG-SG 3.07Å; C64-A78 HydrophobicContact CB-CB 3.9Å; C64-L89 HydrophobicContact CB-CD2 3.73Å
65	L	97.7	Very high	96	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-36.2	177.9	-66.2	179.7	0	0	0	112.5	L32 C35 F36 L61 R62 A67 Y148 I165 V232	L32-L65 HydrophobicContact CD1-CD1 3.72Å; C35-L65 HydrophobicContact CB-CD2 4.42Å; F36-L65 HydrophobicContact CE2-CD1 4.12Å; F36-L65 HydrophobicContact CE2-CD2 4.1Å; F36-L65 HydrophobicContact CE2-CG 3.91Å; F36-L65 HydrophobicContact CZ-CD2 3.95Å; F36-L65 HydrophobicContact CZ-CG 3.89Å; L61-L65 PolarHBondContact O-N 2.89Å; L61-L65 VanDerWaalsContact O-N 3.07Å; R62-L65 PolarHBondContact O-N 3.31Å; L65-A67 VanDerWaalsContact C-N 3.32Å; L65-Y148 PolarHBondContact O-OH 2.87Å; L65-Y148 VanDerWaalsContact O-OH 3.09Å; L65-I165 HydrophobicContact CB-CB 4.42Å; L65-I165 HydrophobicContact CB-CD1 3.68Å; L65-I165 HydrophobicContact CB-CG2 4.36Å; L65-I165 HydrophobicContact CD1-CD1 4.39Å; L65-V232 HydrophobicContact CD1-CB 4.47Å; L65-V232 HydrophobicContact CD1-CG1 3.66Å; L65-V232 HydrophobicContact CD1-CG2 3.91Å
66	K	97	Very high	96.2	Very high	36 Å²	36	38.5 Å²	38.5	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-72.1	-20.2	177.1	-70.8	175.6	-162.2	165.6	0	113.7	R62 E63 C64 Q68 I69 T70 I165 V167	R62-K66 WeakPolarHBondContact O-CB 3.48Å; R62-K66 WeakPolarHBondContact O-CG 3.48Å; R62-K66 PolarHBondContact O-N 2.89Å; E63-K66 PolarHBondContact O-N 2.63Å; E63-K66 IonicContact OE1-NZ 3.57Å; E63-K66 PolarHBondContact OE1-NZ 3.02Å; C64-K66 VanDerWaalsContact C-N 3.31Å; C64-K66 PolarHBondContact O-N 3.35Å; K66-Q68 PolarHBondContact O-N 2.78Å; K66-I69 HydrophobicContact CB-CD1 4.5Å; K66-I69 HydrophobicContact CB-CG1 4.37Å; K66-I69 HydrophobicContact CG-CD1 4.46Å; K66-I69 WeakPolarHBondContact O-CG1 3.43Å; K66-I69 PolarHBondContact O-N 3.22Å; K66-T70 HydrophobicContact CB-CG2 4.14Å; K66-T70 PolarHBondContact O-N 2.93Å; K66-T70 PolarHBondContact O-OG1 2.85Å; K66-I165 HydrophobicContact CG-CD1 3.86Å; K66-V167 HydrophobicContact CD-CG1 4.06Å; K66-V167 HydrophobicContact CG-CG1 3.78Å
67	A	97.8	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.4	-33.2	-174.8	0	0	0	0	0	113.9	E63 C64 L65 I69 H71 N72 F73 C75 L89	E63-A67 PolarHBondContact O-N 2.85Å; C64-A67 VanDerWaalsContact O-CB 3.28Å; C64-A67 WeakPolarHBondContact O-CB 3.46Å; C64-A67 PolarHBondContact O-N 3.36Å; L65-A67 VanDerWaalsContact C-N 3.32Å; A67-I69 VanDerWaalsContact C-N 3.28Å; A67-I69 PolarHBondContact O-N 2.87Å; A67-H71 CarbonylContact O-C 3.46Å; A67-H71 WeakPolarHBondContact O-CA 3.37Å; A67-H71 WeakPolarHBondContact O-CB 3.2Å; A67-H71 PolarHBondContact O-N 3.25Å; A67-N72 PolarHBondContact O-N 3.33Å; A67-F73 CarbonylContact C-O 3.58Å; A67-F73 VanDerWaalsContact C-O 3.23Å; A67-F73 HydrophobicContact CB-CD1 4.29Å; A67-F73 HydrophobicContact CB-CD2 4.22Å; A67-F73 HydrophobicContact CB-CE1 3.83Å; A67-F73 HydrophobicContact CB-CE2 3.77Å; A67-F73 HydrophobicContact CB-CG 4.47Å; A67-F73 HydrophobicContact CB-CZ 3.55Å; A67-F73 PolarHBondContact O-N 2.95Å; A67-C75 HydrophobicContact CB-CB 3.89Å; A67-L89 HydrophobicContact CB-CD1 4.27Å
68	Q	95.8	Very high	96.7	Very high	33 Å²	33	29.4 Å²	29.4	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-31.9	177.7	-177.8	170.8	-21.6	0	0	112.7	K66 N72 F73 Y148	K66-Q68 PolarHBondContact O-N 2.78Å; Q68-N72 WeakPolarHBondContact O-CA 3.4Å; Q68-F73 WeakPolarHBondContact CA-O 3.11Å; Q68-F73 PolarHBondContact N-O 3.45Å; Q68-F73 VanDerWaalsContact N-O 3.07Å; Q68-Y148 HydrophobicContact CB-CD1 4.31Å; Q68-Y148 HydrophobicContact CB-CE1 3.74Å; Q68-Y148 HydrophobicContact CG-CD1 4.32Å; Q68-Y148 HydrophobicContact CG-CE1 4.16Å
69	I	94.7	Very high	96.8	Very high	38 Å²	38	28 Å²	28	20%	0.195	15%	0.146	C	C	.	.	H	α-helix	trans	-100.1	-26.9	-177.5	52.1	-178	0	0	0	113	K66 A67 L146 Y148 I165 V167	K66-I69 HydrophobicContact CB-CD1 4.5Å; K66-I69 HydrophobicContact CB-CG1 4.37Å; K66-I69 HydrophobicContact CG-CD1 4.46Å; K66-I69 WeakPolarHBondContact O-CG1 3.43Å; K66-I69 PolarHBondContact O-N 3.22Å; A67-I69 VanDerWaalsContact C-N 3.28Å; A67-I69 PolarHBondContact O-N 2.87Å; I69-L146 HydrophobicContact CB-CD1 3.56Å; I69-L146 HydrophobicContact CD1-CD1 3.54Å; I69-L146 HydrophobicContact CG1-CD1 3.77Å; I69-L146 HydrophobicContact CG2-CD1 4.27Å; I69-Y148 HydrophobicContact CG2-CD1 3.67Å; I69-Y148 HydrophobicContact CG2-CE1 4.33Å; I69-I165 HydrophobicContact CD1-CG2 4.23Å; I69-V167 HydrophobicContact CD1-CG1 4.15Å; I69-V167 HydrophobicContact CD1-CG2 4.05Å
70	T	94.7	Very high	96.8	Very high	70 Å²	70	27.5 Å²	27.5	43%	0.429	14%	0.142	S	C	.	.	H	α-helix	trans	-94.5	-33	179.6	55.2	0	0	0	0	113.3	K66	K66-T70 HydrophobicContact CB-CG2 4.14Å; K66-T70 PolarHBondContact O-N 2.93Å; K66-T70 PolarHBondContact O-OG1 2.85Å
71	H	95.6	Very high	96.7	Very high	71 Å²	71	27.9 Å²	27.9	33%	0.329	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-0.5	-172.7	-53.1	-53.4	0	0	0	113.7	H50 A67 F73	H50-H71 AromaticContact CD2-CD2 3.93Å; H50-H71 AromaticContact CD2-CE1 3.96Å; H50-H71 AromaticContact CD2-NE2 3.5Å; H50-H71 AromaticContact CE1-CE1 3.62Å; H50-H71 AromaticContact CE1-NE2 3.94Å; H50-H71 AromaticContact NE2-CE1 3.52Å; H50-H71 AromaticContact NE2-NE2 3.44Å; H50-H71 PolarHBondContact NE2-NE2 2.88Å; A67-H71 CarbonylContact O-C 3.46Å; A67-H71 WeakPolarHBondContact O-CA 3.37Å; A67-H71 WeakPolarHBondContact O-CB 3.2Å; A67-H71 PolarHBondContact O-N 3.25Å; H71-F73 VanDerWaalsContact C-N 3.34Å; H71-F73 HydrophobicContact CB-CD1 3.47Å; H71-F73 VanDerWaalsContact CB-CD1 3.47Å; H71-F73 HydrophobicContact CB-CE1 3.44Å; H71-F73 VanDerWaalsContact CB-CE1 3.44Å; H71-F73 PolarHBondContact O-N 2.85Å
72	N	94.9	Very high	96.3	Very high	148 Å²	148	30 Å²	30	79%	0.791	16%	0.158	S	C	*	.	S	Bend	trans	59	38.1	178	-164.1	57.7	0	0	0	114	A67 Q68	A67-N72 PolarHBondContact O-N 3.33Å; Q68-N72 WeakPolarHBondContact O-CA 3.4Å
73	F	96.8	Very high	96	Very high	17 Å²	17	33 Å²	33	8%	0.075	18%	0.181	C	C	.	.	S	Bend	trans	-138.8	150.6	171.1	76.3	-94.9	0	0	0	112.5	T49 H50 A67 Q68 H71 C75 L89 Q91	T49-F73 HydrophobicContact CG2-CD1 3.78Å; T49-F73 HydrophobicContact CG2-CD2 3.93Å; T49-F73 HydrophobicContact CG2-CE1 3.73Å; T49-F73 HydrophobicContact CG2-CE2 3.89Å; T49-F73 HydrophobicContact CG2-CG 3.88Å; T49-F73 HydrophobicContact CG2-CZ 3.79Å; H50-F73 HydrophobicContact CB-CE1 3.97Å; H50-F73 HydrophobicContact CB-CZ 4.02Å; A67-F73 CarbonylContact C-O 3.58Å; A67-F73 VanDerWaalsContact C-O 3.23Å; A67-F73 HydrophobicContact CB-CD1 4.29Å; A67-F73 HydrophobicContact CB-CD2 4.22Å; A67-F73 HydrophobicContact CB-CE1 3.83Å; A67-F73 HydrophobicContact CB-CE2 3.77Å; A67-F73 HydrophobicContact CB-CG 4.47Å; A67-F73 HydrophobicContact CB-CZ 3.55Å; A67-F73 PolarHBondContact O-N 2.95Å; Q68-F73 WeakPolarHBondContact CA-O 3.11Å; Q68-F73 PolarHBondContact N-O 3.45Å; Q68-F73 VanDerWaalsContact N-O 3.07Å; H71-F73 VanDerWaalsContact C-N 3.34Å; H71-F73 HydrophobicContact CB-CD1 3.47Å; H71-F73 VanDerWaalsContact CB-CD1 3.47Å; H71-F73 HydrophobicContact CB-CE1 3.44Å; H71-F73 VanDerWaalsContact CB-CE1 3.44Å; H71-F73 PolarHBondContact O-N 2.85Å; F73-C75 HydrophobicContact CD2-CB 4.46Å; F73-C75 HydrophobicContact CE2-CB 3.85Å; F73-C75 PolarHBondContact O-N 3.42Å; F73-L89 HydrophobicContact CE2-CB 4.29Å; F73-L89 HydrophobicContact CZ-CB 3.83Å; F73-L89 HydrophobicContact CZ-CD1 4.17Å; F73-Q91 HydrophobicContact CB-CG 4.04Å; F73-Q91 HydrophobicContact CD2-CG 3.51Å; F73-Q91 HydrophobicContact CE2-CG 4.29Å; F73-Q91 HydrophobicContact CG-CG 4.07Å
74	T	96.9	Very high	95.7	Very high	45 Å²	45	35.7 Å²	35.7	28%	0.276	19%	0.194	S	C	.	.			trans	-80.2	110.9	172.3	-56.6	0	0	0	0	109.9	N76 T120	T74-N76 PolarHBondContact O-N 2.92Å; T74-T120 HydrophobicContact CG2-CG2 3.66Å
75	C	98.4	Very high	95.5	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	20%	0.202	C	C	.	.			trans	-74.6	111.1	173.5	-179.8	0	0	0	0	110	C64 A67 F73 S77 S90 N117 T120	C64-C75 WeakPolarHBondContact CA-SG 2.99Å; C64-C75 HydrophobicContact CB-CB 4.02Å; C64-C75 WeakPolarHBondContact CB-SG 3.3Å; C64-C75 WeakPolarHBondContact O-CB 3.08Å; C64-C75 WeakPolarHBondContact SG-CB 3.03Å; C64-C75 CovalentContact SG-SG 2.04Å; C64-C75 PolarHBondContact SG-SG 3.07Å; A67-C75 HydrophobicContact CB-CB 3.89Å; F73-C75 HydrophobicContact CD2-CB 4.46Å; F73-C75 HydrophobicContact CE2-CB 3.85Å; F73-C75 PolarHBondContact O-N 3.42Å; C75-S77 PolarHBondContact SG-O 3.18Å; C75-S90 CarbonylContact C-O 3.58Å; C75-S90 WeakPolarHBondContact CA-O 3.49Å; C75-N117 WeakPolarHBondContact O-CB 3.28Å; C75-N117 PolarHBondContact O-ND2 2.82Å; C75-T120 WeakPolarHBondContact O-CG2 3.46Å
76	N	98	Very high	95.4	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	21%	0.21	C	C	.	.			trans	-92.1	-23.1	178.4	-75.8	-31.7	0	0	0	112.3	T74 S90 Q91 N93 N117	T74-N76 PolarHBondContact O-N 2.92Å; N76-S90 PolarHBondContact N-O 2.87Å; N76-Q91 WeakPolarHBondContact CB-O 3.38Å; N76-Q91 PolarHBondContact ND2-O 3.19Å; N76-N93 HydrophobicContact CB-CB 4.41Å; N76-N117 PolarHBondContact O-N 2.86Å
77	S	98	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.7	170.4	66.7	0	0	0	0	112.6	C75 S90 E92 Y114 F115	C75-S77 PolarHBondContact SG-O 3.18Å; S77-S90 PolarHBondContact N-O 2.94Å; S77-S90 PolarHBondContact O-N 2.85Å; S77-E92 WeakPolarHBondContact CB-O 3.33Å; S77-E92 PolarHBondContact N-O 3.07Å; S77-E92 PolarHBondContact OG-O 2.84Å; S77-Y114 WeakPolarHBondContact CB-OH 3.45Å; S77-F115 CarbonylContact C-O 3.52Å; S77-F115 WeakPolarHBondContact CA-O 3.42Å; S77-F115 WeakPolarHBondContact CB-O 3.34Å
78	A	98	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.5	174.6	0	0	0	0	0	110.6	C64 I88 L89 F115	C64-A78 HydrophobicContact CB-CB 3.9Å; A78-I88 CarbonylContact C-O 3.5Å; A78-I88 VanDerWaalsContact CA-O 3.25Å; A78-I88 WeakPolarHBondContact CA-O 3.2Å; A78-L89 HydrophobicContact CB-CD2 3.85Å; A78-F115 PolarHBondContact N-O 2.97Å; A78-F115 PolarHBondContact O-N 3.27Å
79	M	96.4	Very high	95.5	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.7	175	-59.2	177.8	-68.6	0	0	109.6	W43 L44 L81 C87 I88 V112 H113 Y114	W43-M79 VanDerWaalsContact CA-SD 3.54Å; W43-M79 HydrophobicContact CB-SD 3.5Å; W43-M79 WeakPolarHBondContact CB-SD 3.37Å; L44-M79 HydrophobicContact CB-SD 4.17Å; L44-M79 PolarHBondContact N-SD 3.18Å; L44-M79 WeakPolarHBondContact O-CE 3.44Å; M79-L81 HydrophobicContact CB-CD1 4.33Å; M79-C87 WeakPolarHBondContact O-CA 3.14Å; M79-I88 HydrophobicContact CB-CB 4.26Å; M79-I88 HydrophobicContact CE-CB 3.95Å; M79-I88 HydrophobicContact CE-CD1 4.26Å; M79-I88 HydrophobicContact CE-CG2 3.58Å; M79-I88 PolarHBondContact N-O 2.89Å; M79-I88 PolarHBondContact O-N 3.29Å; M79-V112 HydrophobicContact CB-CG1 4.05Å; M79-H113 CarbonylContact C-O 3.39Å; M79-H113 VanDerWaalsContact CA-O 3.3Å; M79-H113 WeakPolarHBondContact CA-O 3.42Å; M79-Y114 HydrophobicContact CG-CD2 3.76Å; M79-Y114 HydrophobicContact SD-CD2 4.19Å
80	Y	96.1	Very high	95.7	Very high	23 Å²	23	33.8 Å²	33.8	9%	0.09	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.1	175.8	176.6	-116.9	0	0	0	110.3	V54 R55 K57 C60 S82 E86 H113	V54-Y80 HydrophobicContact CG2-CD2 3.73Å; V54-Y80 HydrophobicContact CG2-CE2 3.65Å; R55-Y80 PolarHBondContact O-OH 3.11Å; K57-Y80 HydrophobicContact CB-CD1 3.64Å; K57-Y80 HydrophobicContact CB-CE1 4.09Å; K57-Y80 HydrophobicContact CB-CG 4.09Å; C60-Y80 HydrophobicContact CB-CD2 4.38Å; Y80-S82 PolarHBondContact O-N 3Å; Y80-E86 WeakPolarHBondContact CA-O 3.49Å; Y80-E86 WeakPolarHBondContact CD2-O 3.45Å; Y80-H113 PolarHBondContact N-O 2.82Å; Y80-H113 PolarHBondContact O-N 3.22Å
81	L	94.1	Very high	95.8	Very high	8 Å²	8	35 Å²	35	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	93.6	176.2	-79.3	68.6	0	0	0	108.1	M79 S83 E84 G85 E86 I88 V110 V112	M79-L81 HydrophobicContact CB-CD1 4.33Å; L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 3.07Å; L81-E84 HydrophobicContact CB-CB 4.38Å; L81-E84 WeakPolarHBondContact CD2-OE2 2.96Å; L81-E84 PolarHBondContact O-N 3.23Å; L81-E84 VanDerWaalsContact O-N 3.11Å; L81-G85 PolarHBondContact O-N 3.41Å; L81-E86 HydrophobicContact CB-CB 4.38Å; L81-E86 PolarHBondContact N-O 3.04Å; L81-E86 PolarHBondContact O-N 2.78Å; L81-I88 HydrophobicContact CD1-CD1 3.63Å; L81-I88 HydrophobicContact CD1-CG1 4.22Å; L81-I88 HydrophobicContact CD2-CD1 4.34Å; L81-V110 HydrophobicContact CB-CG1 4.39Å; L81-V110 HydrophobicContact CD2-CG1 3.99Å; L81-V110 HydrophobicContact CG-CG1 3.96Å; L81-V112 HydrophobicContact CD1-CG1 4.09Å; L81-V112 HydrophobicContact CD1-CG2 4.49Å; L81-V112 HydrophobicContact CG-CG2 4.27Å
82	S	89.6	Confident	95.9	Very high	47 Å²	47	34.1 Å²	34.1	33%	0.329	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34	-171.9	58.9	0	0	0	0	114.4	Y80 E84 T111	Y80-S82 PolarHBondContact O-N 3Å; S82-E84 VanDerWaalsContact C-N 3.3Å; S82-E84 PolarHBondContact O-N 2.89Å; S82-T111 PolarHBondContact N-O 2.86Å; S82-T111 WeakPolarHBondContact OG-CB 3.27Å; S82-T111 PolarHBondContact OG-O 3.19Å; S82-T111 VanDerWaalsContact OG-O 3.08Å
83	S	89.7	Confident	96	Very high	74 Å²	74	28 Å²	28	52%	0.517	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.4	178.5	48.2	0	0	0	0	113.2	L81	L81-S83 VanDerWaalsContact C-N 3.29Å; L81-S83 PolarHBondContact O-N 3.07Å
84	E	91.3	Very high	95.9	Very high	99 Å²	99	30.8 Å²	30.8	46%	0.463	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-15.8	-172.5	-61.1	179.9	168.2	0	0	112.4	L81 S82 E86	L81-E84 HydrophobicContact CB-CB 4.38Å; L81-E84 WeakPolarHBondContact CD2-OE2 2.96Å; L81-E84 PolarHBondContact O-N 3.23Å; L81-E84 VanDerWaalsContact O-N 3.11Å; S82-E84 VanDerWaalsContact C-N 3.3Å; S82-E84 PolarHBondContact O-N 2.89Å; E84-E86 VanDerWaalsContact C-N 3.28Å; E84-E86 HydrophobicContact CB-CB 4.32Å; E84-E86 HydrophobicContact CB-CG 3.83Å
85	G	93.5	Very high	95.7	Very high	18 Å²	18	33.8 Å²	33.8	19%	0.186	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	35.7	-172.5	0	0	0	0	0	111.3	K53 V54 L81	K53-G85 CarbonylContact C-O 3.57Å; K53-G85 VanDerWaalsContact CA-O 3.3Å; K53-G85 WeakPolarHBondContact CA-O 3.35Å; V54-G85 PolarHBondContact N-O 2.89Å; V54-G85 CarbonylContact O-C 3.36Å; V54-G85 WeakPolarHBondContact O-CA 3.47Å; L81-G85 PolarHBondContact O-N 3.41Å
86	E	96.1	Very high	95.6	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.6	-177.3	-63.7	-164.7	167.9	0	0	111.1	K53 Y80 L81 E84	K53-E86 HydrophobicContact CG-CG 4.45Å; Y80-E86 WeakPolarHBondContact CA-O 3.49Å; Y80-E86 WeakPolarHBondContact CD2-O 3.45Å; L81-E86 HydrophobicContact CB-CB 4.38Å; L81-E86 PolarHBondContact N-O 3.04Å; L81-E86 PolarHBondContact O-N 2.78Å; E84-E86 VanDerWaalsContact C-N 3.28Å; E84-E86 HydrophobicContact CB-CB 4.32Å; E84-E86 HydrophobicContact CB-CG 3.83Å
87	C	97.5	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.4	174	-178.8	0	0	0	0	109.1	L51 T52 V54 C60 M79 L89	L51-C87 WeakPolarHBondContact CA-O 3.27Å; T52-C87 HydrophobicContact CG2-CB 3.94Å; T52-C87 PolarHBondContact N-O 3.19Å; T52-C87 PolarHBondContact O-N 3.3Å; V54-C87 HydrophobicContact CB-CB 4.45Å; V54-C87 HydrophobicContact CG1-CB 3.86Å; V54-C87 HydrophobicContact CG2-CB 3.72Å; C60-C87 WeakPolarHBondContact CA-SG 3.29Å; C60-C87 HydrophobicContact CB-CB 3.66Å; C60-C87 WeakPolarHBondContact CB-SG 3.36Å; C60-C87 VanDerWaalsContact SG-CA 3.6Å; C60-C87 WeakPolarHBondContact SG-CB 3.37Å; C60-C87 CovalentContact SG-SG 2.03Å; C60-C87 PolarHBondContact SG-SG 3.08Å; M79-C87 WeakPolarHBondContact O-CA 3.14Å; C87-L89 WeakPolarHBondContact SG-CD2 3.17Å
88	I	97.4	Very high	95.3	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.077	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	178.8	-57.1	174.4	0	0	0	107.5	T48 L51 A78 M79 L81	T48-I88 HydrophobicContact CG2-CG2 3.78Å; T48-I88 VanDerWaalsContact OG1-CG2 3.3Å; T48-I88 WeakPolarHBondContact OG1-CG2 3.47Å; L51-I88 HydrophobicContact CD1-CG1 4.34Å; A78-I88 CarbonylContact C-O 3.5Å; A78-I88 VanDerWaalsContact CA-O 3.25Å; A78-I88 WeakPolarHBondContact CA-O 3.2Å; M79-I88 HydrophobicContact CB-CB 4.26Å; M79-I88 HydrophobicContact CE-CB 3.95Å; M79-I88 HydrophobicContact CE-CD1 4.26Å; M79-I88 HydrophobicContact CE-CG2 3.58Å; M79-I88 PolarHBondContact N-O 2.89Å; M79-I88 PolarHBondContact O-N 3.29Å; L81-I88 HydrophobicContact CD1-CD1 3.63Å; L81-I88 HydrophobicContact CD1-CG1 4.22Å; L81-I88 HydrophobicContact CD2-CD1 4.34Å
89	L	98.2	Very high	95.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.4	179.2	-52.6	-176.7	0	0	0	110.2	T49 H50 E63 C64 A67 F73 A78 C87	T49-L89 WeakPolarHBondContact CA-O 3.42Å; T49-L89 WeakPolarHBondContact CB-O 3.1Å; T49-L89 PolarHBondContact N-O 2.96Å; H50-L89 HydrophobicContact CB-CB 4.21Å; H50-L89 HydrophobicContact CB-CD1 4.32Å; H50-L89 PolarHBondContact N-O 2.93Å; H50-L89 VanDerWaalsContact N-O 3.16Å; H50-L89 PolarHBondContact O-N 2.84Å; E63-L89 HydrophobicContact CB-CD1 4.33Å; C64-L89 HydrophobicContact CB-CD2 3.73Å; A67-L89 HydrophobicContact CB-CD1 4.27Å; F73-L89 HydrophobicContact CE2-CB 4.29Å; F73-L89 HydrophobicContact CZ-CB 3.83Å; F73-L89 HydrophobicContact CZ-CD1 4.17Å; A78-L89 HydrophobicContact CB-CD2 3.85Å; C87-L89 WeakPolarHBondContact SG-CD2 3.17Å
90	S	97.9	Very high	95	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.7	-178	-168.4	0	0	0	0	113	F47 C75 N76 S77 E92	F47-S90 WeakPolarHBondContact O-CB 3.45Å; F47-S90 PolarHBondContact O-OG 2.88Å; C75-S90 CarbonylContact C-O 3.58Å; C75-S90 WeakPolarHBondContact CA-O 3.49Å; N76-S90 PolarHBondContact N-O 2.87Å; S77-S90 PolarHBondContact N-O 2.94Å; S77-S90 PolarHBondContact O-N 2.85Å; S90-E92 PolarHBondContact OG-N 2.93Å
91	Q	97.5	Very high	95	Very high	94 Å²	94	52.6 Å²	52.6	44%	0.439	28%	0.278	S	S	.	.	S	Bend	trans	-76.5	-8.3	163.2	-69.4	-178.3	-72.4	0	0	112.9	T49 F73 N76	T49-Q91 HydrophobicContact CG2-CG 4.1Å; T49-Q91 PolarHBondContact OG1-N 2.84Å; F73-Q91 HydrophobicContact CB-CG 4.04Å; F73-Q91 HydrophobicContact CD2-CG 3.51Å; F73-Q91 HydrophobicContact CE2-CG 4.29Å; F73-Q91 HydrophobicContact CG-CG 4.07Å; N76-Q91 WeakPolarHBondContact CB-O 3.38Å; N76-Q91 PolarHBondContact ND2-O 3.19Å
92	E	97.5	Very high	94.9	Very high	54 Å²	54	55.4 Å²	55.4	25%	0.252	30%	0.296	S	S	.	.			trans	-102.9	167.7	177.9	-60.6	-60.8	139.2	0	0	111	L44 F47 S77 S90 T96 Q97	L44-E92 HydrophobicContact CD2-CB 3.73Å; F47-E92 HydrophobicContact CB-CB 4.02Å; F47-E92 HydrophobicContact CB-CG 4.03Å; F47-E92 HydrophobicContact CD1-CB 4.3Å; F47-E92 HydrophobicContact CD1-CG 3.56Å; F47-E92 HydrophobicContact CE1-CG 4.2Å; F47-E92 HydrophobicContact CG-CB 4.14Å; F47-E92 HydrophobicContact CG-CG 3.9Å; S77-E92 WeakPolarHBondContact CB-O 3.33Å; S77-E92 PolarHBondContact N-O 3.07Å; S77-E92 PolarHBondContact OG-O 2.84Å; S90-E92 PolarHBondContact OG-N 2.93Å; E92-T96 WeakPolarHBondContact OE2-CB 3.24Å; E92-T96 PolarHBondContact OE2-OG1 2.85Å; E92-Q97 HydrophobicContact CB-CG 3.89Å; E92-Q97 HydrophobicContact CG-CG 3.99Å; E92-Q97 WeakPolarHBondContact OE2-CG 3.48Å; E92-Q97 PolarHBondContact OE2-NE2 2.61Å; E92-Q97 VanDerWaalsContact OE2-NE2 3.14Å
93	N	96.3	Very high	94.9	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.107	30%	0.304	C	S	.	.			trans	-145.6	175.6	172.5	63.1	42.6	0	0	0	110.4	N76 K95 T96 Q97 Y114 E116	N76-N93 HydrophobicContact CB-CB 4.41Å; N93-K95 PolarHBondContact O-N 1.99Å; N93-K95 WeakPolarHBondContact OD1-CA 3.44Å; N93-K95 WeakPolarHBondContact OD1-CB 3.48Å; N93-K95 PolarHBondContact OD1-N 2.89Å; N93-T96 PolarHBondContact N-OG1 3.41Å; N93-T96 PolarHBondContact O-N 3.18Å; N93-T96 VanDerWaalsContact O-N 3.12Å; N93-T96 PolarHBondContact O-OG1 2.93Å; N93-T96 VanDerWaalsContact O-OG1 3.1Å; N93-T96 PolarHBondContact OD1-N 2.71Å; N93-Q97 PolarHBondContact O-N 3.44Å; N93-Y114 WeakPolarHBondContact CA-OH 3.48Å; N93-Y114 WeakPolarHBondContact CB-OH 3.32Å; N93-E116 HydrophobicContact CB-CG 4.37Å
94	R	94.9	Very high	94.6	Very high	75 Å²	75	56 Å²	56	28%	0.283	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.4	178.7	66.7	177.3	173.1	171.9	-1.8	115.5	E37 P98 F101 Y114 E116	E37-R94 IonicContact OE2-NH2 3.63Å; E37-R94 PolarHBondContact OE2-NH2 2.64Å; R94-P98 VanDerWaalsContact O-CA 3.27Å; R94-P98 WeakPolarHBondContact O-CA 3.22Å; R94-F101 HydrophobicContact CB-CB 4.03Å; R94-F101 HydrophobicContact CB-CD1 3.57Å; R94-F101 HydrophobicContact CB-CD2 3.9Å; R94-F101 HydrophobicContact CB-CE1 3.92Å; R94-F101 HydrophobicContact CB-CE2 4.24Å; R94-F101 HydrophobicContact CB-CG 3.55Å; R94-F101 HydrophobicContact CB-CZ 4.24Å; R94-Y114 PolarHBondContact N-OH 3Å; R94-E116 VanDerWaalsContact CG-OE2 3.27Å; R94-E116 WeakPolarHBondContact CG-OE2 3.21Å; R94-E116 IonicContact CZ-OE2 3.63Å; R94-E116 IonicContact NE-OE2 2.93Å; R94-E116 PolarHBondContact NE-OE2 3.33Å; R94-E116 IonicContact NH2-OE2 3.73Å
95	K	94	Very high	94	Very high	107 Å²	107	58.3 Å²	58.3	47%	0.465	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-35.3	177.5	-60.5	175	-175.9	141	0	111.8	N93 E116	N93-K95 PolarHBondContact O-N 1.99Å; N93-K95 WeakPolarHBondContact OD1-CA 3.44Å; N93-K95 WeakPolarHBondContact OD1-CB 3.48Å; N93-K95 PolarHBondContact OD1-N 2.89Å; K95-E116 IonicContact NZ-OE1 3.1Å; K95-E116 PolarHBondContact NZ-OE1 3.15Å
96	T	95.2	Very high	92.9	Very high	68 Å²	68	67.2 Å²	67.2	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-29	176	61.2	0	0	0	0	111.5	E92 N93	E92-T96 WeakPolarHBondContact OE2-CB 3.24Å; E92-T96 PolarHBondContact OE2-OG1 2.85Å; N93-T96 PolarHBondContact N-OG1 3.41Å; N93-T96 PolarHBondContact O-N 3.18Å; N93-T96 VanDerWaalsContact O-N 3.12Å; N93-T96 PolarHBondContact O-OG1 2.93Å; N93-T96 VanDerWaalsContact O-OG1 3.1Å; N93-T96 PolarHBondContact OD1-N 2.71Å
97	Q	96	Very high	91.6	Very high	55 Å²	55	69.5 Å²	69.5	26%	0.257	37%	0.369	S	S	.	.	S	Bend	trans	-133.8	64.6	-178	-56.6	-58.6	-25.4	0	0	111.8	L44 F47 E92 N93 D99 L100 F101	L44-Q97 HydrophobicContact CD1-CB 3.59Å; L44-Q97 HydrophobicContact CD1-CG 4.48Å; F47-Q97 HydrophobicContact CD1-CG 4.27Å; F47-Q97 HydrophobicContact CD2-CB 4.17Å; F47-Q97 HydrophobicContact CD2-CG 3.91Å; F47-Q97 HydrophobicContact CE1-CG 3.87Å; F47-Q97 HydrophobicContact CE2-CB 3.67Å; F47-Q97 HydrophobicContact CE2-CG 3.44Å; F47-Q97 VanDerWaalsContact CE2-CG 3.44Å; F47-Q97 HydrophobicContact CG-CG 4.28Å; F47-Q97 HydrophobicContact CZ-CB 4.11Å; F47-Q97 HydrophobicContact CZ-CG 3.44Å; F47-Q97 VanDerWaalsContact CZ-CG 3.44Å; E92-Q97 HydrophobicContact CB-CG 3.89Å; E92-Q97 HydrophobicContact CG-CG 3.99Å; E92-Q97 WeakPolarHBondContact OE2-CG 3.48Å; E92-Q97 PolarHBondContact OE2-NE2 2.61Å; E92-Q97 VanDerWaalsContact OE2-NE2 3.14Å; N93-Q97 PolarHBondContact O-N 3.44Å; Q97-D99 PolarHBondContact O-N 3.29Å; Q97-L100 PolarHBondContact O-N 2.89Å; Q97-F101 PolarHBondContact O-N 2.64Å
98	P	95	Very high	90.4	Very high	77 Å²	77	73.8 Å²	73.8	50%	0.5	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-65.4	-36.7	-175.2	26.6	-34.6	0	0	0	113	R94 L100 F101	R94-P98 VanDerWaalsContact O-CA 3.27Å; R94-P98 WeakPolarHBondContact O-CA 3.22Å; P98-L100 PolarHBondContact O-N 2.99Å; P98-F101 PolarHBondContact O-N 3.04Å
99	D	94.1	Very high	89	Confident	155 Å²	155	77.6 Å²	77.6	83%	0.829	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.7	-175.8	-62	-25.9	0	0	0	113.1	Q97	Q97-D99 PolarHBondContact O-N 3.29Å
100	L	93.5	Very high	88.1	Confident	75 Å²	75	79.3 Å²	79.3	39%	0.393	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-107.3	6	-178.7	-66.4	170.8	0	0	0	112.3	L44 V45 F47 Q97 P98 T102	L44-L100 WeakPolarHBondContact CA-O 3.26Å; L44-L100 HydrophobicContact CD1-CB 4.12Å; V45-L100 PolarHBondContact N-O 2.76Å; F47-L100 HydrophobicContact CD2-CD1 4.37Å; F47-L100 HydrophobicContact CE2-CB 3.94Å; F47-L100 HydrophobicContact CE2-CD1 3.26Å; F47-L100 HydrophobicContact CE2-CG 4.19Å; F47-L100 HydrophobicContact CZ-CD1 3.67Å; Q97-L100 PolarHBondContact O-N 2.89Å; P98-L100 PolarHBondContact O-N 2.99Å; L100-T102 PolarHBondContact O-N 3.43Å
101	F	95	Very high	87.7	Confident	24 Å²	24	82.3 Å²	82.3	11%	0.105	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	87.1	173	-174.8	-116.5	0	0	0	110.8	V39 R42 W43 R94 Q97 P98 Y114	V39-F101 HydrophobicContact CB-CZ 4.16Å; V39-F101 HydrophobicContact CG1-CE1 4.46Å; V39-F101 HydrophobicContact CG1-CZ 3.96Å; V39-F101 HydrophobicContact CG2-CZ 4.38Å; R42-F101 HydrophobicContact CB-CD2 4.43Å; R42-F101 HydrophobicContact CB-CE1 4.15Å; R42-F101 HydrophobicContact CB-CE2 3.64Å; R42-F101 HydrophobicContact CB-CZ 3.48Å; R42-F101 VanDerWaalsContact CB-CZ 3.48Å; R42-F101 VanDerWaalsContact CD-CE1 3.48Å; R42-F101 HydrophobicContact CG-CE1 4.45Å; R42-F101 HydrophobicContact CG-CZ 4.21Å; W43-F101 WeakPolarHBondContact O-CA 3.47Å; R94-F101 HydrophobicContact CB-CB 4.03Å; R94-F101 HydrophobicContact CB-CD1 3.57Å; R94-F101 HydrophobicContact CB-CD2 3.9Å; R94-F101 HydrophobicContact CB-CE1 3.92Å; R94-F101 HydrophobicContact CB-CE2 4.24Å; R94-F101 HydrophobicContact CB-CG 3.55Å; R94-F101 HydrophobicContact CB-CZ 4.24Å; Q97-F101 PolarHBondContact O-N 2.64Å; P98-F101 PolarHBondContact O-N 3.04Å; F101-Y114 HydrophobicContact CD2-CD2 4.32Å; F101-Y114 HydrophobicContact CD2-CE2 4.26Å; F101-Y114 AromaticContact CE2-CD1 3.68Å; F101-Y114 HydrophobicContact CE2-CD1 3.68Å; F101-Y114 AromaticContact CE2-CD2 3.69Å; F101-Y114 HydrophobicContact CE2-CD2 3.69Å; F101-Y114 AromaticContact CE2-CE1 3.91Å; F101-Y114 HydrophobicContact CE2-CE1 3.91Å; F101-Y114 AromaticContact CE2-CE2 3.91Å; F101-Y114 HydrophobicContact CE2-CE2 3.91Å; F101-Y114 AromaticContact CE2-CG 3.58Å; F101-Y114 HydrophobicContact CE2-CG 3.58Å; F101-Y114 AromaticContact CZ-CD1 3.9Å; F101-Y114 HydrophobicContact CZ-CD1 3.9Å; F101-Y114 HydrophobicContact CZ-CE1 4.15Å; F101-Y114 HydrophobicContact CZ-CG 4.19Å
102	T	93	Very high	87.4	Confident	67 Å²	67	77.9 Å²	77.9	41%	0.411	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	170.2	-170.9	-173.4	0	0	0	0	112.2	R42 W43 V45 L100	R42-T102 CarbonylContact C-O 3.35Å; R42-T102 VanDerWaalsContact CA-O 3.28Å; R42-T102 WeakPolarHBondContact CA-O 3.5Å; W43-T102 PolarHBondContact N-O 2.83Å; W43-T102 PolarHBondContact O-N 2.99Å; V45-T102 HydrophobicContact CG2-CG2 3.8Å; L100-T102 PolarHBondContact O-N 3.43Å
103	E	89.2	Confident	87.2	Confident	107 Å²	107	77.6 Å²	77.6	50%	0.5	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-83.2	149.7	164.2	-67	170	-164.9	0	0	109.4	N41 R42	N41-E103 WeakPolarHBondContact O-CG 3.35Å; R42-E103 HydrophobicContact CG-CG 3.74Å; R42-E103 IonicContact CZ-OE1 3.35Å; R42-E103 IonicContact NE-OE1 3.19Å; R42-E103 PolarHBondContact NE-OE1 3.22Å; R42-E103 IonicContact NH2-OE1 2.67Å; R42-E103 PolarHBondContact NH2-OE1 3.37Å
104	P	82.7	Confident	87.2	Confident	27 Å²	27	76.6 Å²	76.6	18%	0.175	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-55	153.1	168.3	-23.1	33.3	0	0	0	111.3	N41 E108 V112	N41-P104 WeakPolarHBondContact O-CD 3.17Å; P104-E108 HydrophobicContact CB-CB 4.44Å; P104-V112 HydrophobicContact CG-CG2 4.22Å
105	Q	79.2	Confident	87.4	Confident	147 Å²	147	73.5 Å²	73.5	69%	0.687	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-67.2	145.8	179.9	-64.1	-172.7	5.6	0	0	110.8	G107 E108	Q105-G107 PolarHBondContact O-N 2.75Å; Q105-G107 VanDerWaalsContact O-N 3.09Å; Q105-E108 HydrophobicContact CB-CG 4.18Å; Q105-E108 PolarHBondContact N-OE2 3.16Å; Q105-E108 WeakPolarHBondContact O-CB 3.4Å; Q105-E108 PolarHBondContact O-N 2.9Å
106	E	70.4	Confident	87.5	Confident	206 Å²	206	68.5 Å²	68.5	96%	0.963	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	120.2	173.4	-72.9	-173	175.5	0	0	110.2
107	G	68.6	Low	87.6	Confident	85 Å²	85	65.5 Å²	65.5	88%	0.876	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	-10.2	-178.1	0	0	0	0	0	115	Q105 A109	Q105-G107 PolarHBondContact O-N 2.75Å; Q105-G107 VanDerWaalsContact O-N 3.09Å; G107-A109 PolarHBondContact O-N 2.81Å
108	E	72.1	Confident	87.6	Confident	90 Å²	90	63.1 Å²	63.1	42%	0.421	36%	0.362	S	S	.	.			trans	-74.1	117.5	168.3	-70.1	179.5	158.3	0	0	109.5	P104 Q105 V110	P104-E108 HydrophobicContact CB-CB 4.44Å; Q105-E108 HydrophobicContact CB-CG 4.18Å; Q105-E108 PolarHBondContact N-OE2 3.16Å; Q105-E108 WeakPolarHBondContact O-CB 3.4Å; Q105-E108 PolarHBondContact O-N 2.9Å; E108-V110 PolarHBondContact O-N 3.02Å
109	A	69.5	Low	87.7	Confident	95 Å²	95	59.7 Å²	59.7	79%	0.785	34%	0.339	S	S	*	.			trans	-75.7	18.3	-177.8	0	0	0	0	0	113.8	G107	G107-A109 PolarHBondContact O-N 2.81Å
110	V	79.6	Confident	87.8	Confident	37 Å²	37	52.6 Å²	52.6	22%	0.224	30%	0.302	C	S	.	.			trans	-99.7	109.7	-173.4	-176	0	0	0	0	109.7	L81 E108 V112	L81-V110 HydrophobicContact CB-CG1 4.39Å; L81-V110 HydrophobicContact CD2-CG1 3.99Å; L81-V110 HydrophobicContact CG-CG1 3.96Å; E108-V110 PolarHBondContact O-N 3.02Å; V110-V112 HydrophobicContact CG1-CG2 3.87Å; V110-V112 PolarHBondContact O-N 2.77Å
111	T	87.6	Confident	88	Confident	63 Å²	63	49.9 Å²	49.9	39%	0.387	29%	0.288	S	S	.	.			trans	-81.8	109.6	170.8	-57.6	0	0	0	0	109.2	S82	S82-T111 PolarHBondContact N-O 2.86Å; S82-T111 WeakPolarHBondContact OG-CB 3.27Å; S82-T111 PolarHBondContact OG-O 3.19Å; S82-T111 VanDerWaalsContact OG-O 3.08Å
112	V	91.4	Very high	87.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.1	178.5	-169.6	0	0	0	0	110.7	N41 W43 M79 L81 P104 V110	N41-V112 VanDerWaalsContact CA-O 3.3Å; N41-V112 WeakPolarHBondContact CA-O 3.41Å; N41-V112 PolarHBondContact N-O 3.39Å; W43-V112 HydrophobicContact CB-CB 4.37Å; W43-V112 HydrophobicContact CB-CG1 3.81Å; W43-V112 HydrophobicContact CB-CG2 4.45Å; W43-V112 HydrophobicContact CE3-CG2 4.27Å; M79-V112 HydrophobicContact CB-CG1 4.05Å; L81-V112 HydrophobicContact CD1-CG1 4.09Å; L81-V112 HydrophobicContact CD1-CG2 4.49Å; L81-V112 HydrophobicContact CG-CG2 4.27Å; P104-V112 HydrophobicContact CG-CG2 4.22Å; V110-V112 HydrophobicContact CG1-CG2 3.87Å; V110-V112 PolarHBondContact O-N 2.77Å
113	H	93.8	Very high	88	Confident	48 Å²	48	52.2 Å²	52.2	22%	0.222	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	110.9	170.5	-61.1	-97	0	0	0	109.4	H38 M79 Y80 F115	H38-H113 AromaticContact CE1-ND1 3.79Å; H38-H113 AromaticContact NE2-CG 3.89Å; H38-H113 AromaticContact NE2-ND1 3.35Å; H38-H113 PolarHBondContact NE2-ND1 3.34Å; M79-H113 CarbonylContact C-O 3.39Å; M79-H113 VanDerWaalsContact CA-O 3.3Å; M79-H113 WeakPolarHBondContact CA-O 3.42Å; Y80-H113 PolarHBondContact N-O 2.82Å; Y80-H113 PolarHBondContact O-N 3.22Å; H113-F115 HydrophobicContact CB-CD2 4.45Å; H113-F115 HydrophobicContact CB-CE2 3.51Å; H113-F115 HydrophobicContact CB-CZ 3.7Å; H113-F115 VanDerWaalsContact O-CD2 3.31Å; H113-F115 WeakPolarHBondContact O-CD2 2.94Å; H113-F115 VanDerWaalsContact O-CE2 3.29Å; H113-F115 WeakPolarHBondContact O-CE2 3.33Å
114	Y	96.8	Very high	88.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.5	175.9	171.8	-84.3	0	0	0	111	H38 V39 R42 L44 S77 M79 N93 R94 F101 E116	H38-Y114 PolarHBondContact CD2-O 3.4Å; H38-Y114 VanDerWaalsContact CD2-O 3.27Å; V39-Y114 HydrophobicContact CB-CD1 4.08Å; V39-Y114 HydrophobicContact CG2-CD1 4.16Å; V39-Y114 PolarHBondContact N-O 2.99Å; V39-Y114 PolarHBondContact O-N 3.4Å; R42-Y114 VanDerWaalsContact O-CB 3.24Å; R42-Y114 WeakPolarHBondContact O-CB 3.28Å; L44-Y114 HydrophobicContact CB-CE2 4.22Å; S77-Y114 WeakPolarHBondContact CB-OH 3.45Å; M79-Y114 HydrophobicContact CG-CD2 3.76Å; M79-Y114 HydrophobicContact SD-CD2 4.19Å; N93-Y114 WeakPolarHBondContact CA-OH 3.48Å; N93-Y114 WeakPolarHBondContact CB-OH 3.32Å; R94-Y114 PolarHBondContact N-OH 3Å; F101-Y114 HydrophobicContact CD2-CD2 4.32Å; F101-Y114 HydrophobicContact CD2-CE2 4.26Å; F101-Y114 AromaticContact CE2-CD1 3.68Å; F101-Y114 HydrophobicContact CE2-CD1 3.68Å; F101-Y114 AromaticContact CE2-CD2 3.69Å; F101-Y114 HydrophobicContact CE2-CD2 3.69Å; F101-Y114 AromaticContact CE2-CE1 3.91Å; F101-Y114 HydrophobicContact CE2-CE1 3.91Å; F101-Y114 AromaticContact CE2-CE2 3.91Å; F101-Y114 HydrophobicContact CE2-CE2 3.91Å; F101-Y114 AromaticContact CE2-CG 3.58Å; F101-Y114 HydrophobicContact CE2-CG 3.58Å; F101-Y114 AromaticContact CZ-CD1 3.9Å; F101-Y114 HydrophobicContact CZ-CD1 3.9Å; F101-Y114 HydrophobicContact CZ-CE1 4.15Å; F101-Y114 HydrophobicContact CZ-CG 4.19Å; Y114-E116 HydrophobicContact CE1-CB 3.97Å
115	F	97.7	Very high	88.8	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122	-179.1	-57.9	-85.9	0	0	0	109.9	F36 E37 H38 K57 L61 S77 A78 H113	F36-F115 HydrophobicContact CB-CB 4.23Å; F36-F115 HydrophobicContact CB-CD1 4.36Å; F36-F115 HydrophobicContact CD1-CB 3.75Å; F36-F115 HydrophobicContact CG-CB 4.29Å; E37-F115 WeakPolarHBondContact O-CA 3.43Å; H38-F115 HydrophobicContact CB-CD1 3.87Å; H38-F115 HydrophobicContact CB-CE1 3.87Å; H38-F115 AromaticContact CD2-CD1 3.71Å; H38-F115 AromaticContact CD2-CE1 3.3Å; H38-F115 WeakPolarHBondContact CD2-CE1 3.04Å; H38-F115 AromaticContact CD2-CZ 3.68Å; H38-F115 AromaticContact CG-CE1 3.73Å; K57-F115 HydrophobicContact CB-CE2 4.47Å; K57-F115 HydrophobicContact CB-CZ 4.17Å; K57-F115 HydrophobicContact CD-CZ 4.41Å; L61-F115 HydrophobicContact CD2-CB 3.71Å; L61-F115 HydrophobicContact CD2-CD1 3.72Å; L61-F115 HydrophobicContact CD2-CD2 3.69Å; L61-F115 HydrophobicContact CD2-CE1 4.19Å; L61-F115 HydrophobicContact CD2-CE2 4.16Å; L61-F115 HydrophobicContact CD2-CG 3.43Å; L61-F115 VanDerWaalsContact CD2-CG 3.43Å; L61-F115 HydrophobicContact CD2-CZ 4.4Å; S77-F115 CarbonylContact C-O 3.52Å; S77-F115 WeakPolarHBondContact CA-O 3.42Å; S77-F115 WeakPolarHBondContact CB-O 3.34Å; A78-F115 PolarHBondContact N-O 2.97Å; A78-F115 PolarHBondContact O-N 3.27Å; H113-F115 HydrophobicContact CB-CD2 4.45Å; H113-F115 HydrophobicContact CB-CE2 3.51Å; H113-F115 HydrophobicContact CB-CZ 3.7Å; H113-F115 VanDerWaalsContact O-CD2 3.31Å; H113-F115 WeakPolarHBondContact O-CD2 2.94Å; H113-F115 VanDerWaalsContact O-CE2 3.29Å; H113-F115 WeakPolarHBondContact O-CE2 3.33Å
116	E	97.2	Very high	89.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123	172.5	-175.9	172.7	144.7	0	0	109.5	F36 E37 N93 R94 K95 Y114 T118 R123	F36-E116 VanDerWaalsContact CA-O 3.31Å; F36-E116 WeakPolarHBondContact CA-O 3.48Å; E37-E116 HydrophobicContact CB-CB 4.31Å; E37-E116 PolarHBondContact N-O 2.93Å; E37-E116 PolarHBondContact O-N 2.86Å; N93-E116 HydrophobicContact CB-CG 4.37Å; R94-E116 VanDerWaalsContact CG-OE2 3.27Å; R94-E116 WeakPolarHBondContact CG-OE2 3.21Å; R94-E116 IonicContact CZ-OE2 3.63Å; R94-E116 IonicContact NE-OE2 2.93Å; R94-E116 PolarHBondContact NE-OE2 3.33Å; R94-E116 IonicContact NH2-OE2 3.73Å; K95-E116 IonicContact NZ-OE1 3.1Å; K95-E116 PolarHBondContact NZ-OE1 3.15Å; Y114-E116 HydrophobicContact CE1-CB 3.97Å; E116-T118 PolarHBondContact O-N 2.97Å; E116-R123 IonicContact OE1-NE 2.71Å
117	N	97.7	Very high	90.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114	178.8	-174.7	-5.9	0	0	0	110.2	F36 C75 N76 C119 T120	F36-N117 HydrophobicContact CD1-CB 4.13Å; F36-N117 HydrophobicContact CE1-CB 3.69Å; F36-N117 HydrophobicContact CZ-CB 4.39Å; C75-N117 WeakPolarHBondContact O-CB 3.28Å; C75-N117 PolarHBondContact O-ND2 2.82Å; N76-N117 PolarHBondContact O-N 2.86Å; N117-C119 PolarHBondContact OD1-N 2.84Å; N117-T120 HydrophobicContact CB-CG2 3.98Å; N117-T120 VanDerWaalsContact CG-CG2 3.49Å; N117-T120 VanDerWaalsContact ND2-CG2 3.34Å; N117-T120 WeakPolarHBondContact ND2-CG2 3.39Å
118	T	96.1	Very high	91.7	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	22%	0.215	C	C	.	.			trans	-96.6	-10.3	-179.1	75	0	0	0	0	113.6	C35 E37 E116 T120 R123 R235	C35-T118 PolarHBondContact O-N 2.88Å; C35-T118 PolarHBondContact O-OG1 3.36Å; E37-T118 HydrophobicContact CB-CG2 4.36Å; E37-T118 HydrophobicContact CG-CG2 3.72Å; E116-T118 PolarHBondContact O-N 2.97Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T118-R123 WeakPolarHBondContact O-CG 3.27Å; T118-R235 VanDerWaalsContact O-CZ 3.31Å; T118-R235 PolarHBondContact O-NE 2.86Å; T118-R235 PolarHBondContact O-NH2 3.47Å
119	C	97	Very high	92.5	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	22%	0.215	C	C	.	.			trans	-88	4.7	180	-78.5	0	0	0	0	113.8	C35 N117 S163	C35-C119 WeakPolarHBondContact CA-SG 3.21Å; C35-C119 HydrophobicContact CB-CB 3.68Å; C35-C119 WeakPolarHBondContact CB-SG 3.48Å; C35-C119 WeakPolarHBondContact SG-CB 3.47Å; C35-C119 CovalentContact SG-SG 2.04Å; C35-C119 PolarHBondContact SG-SG 2.84Å; N117-C119 PolarHBondContact OD1-N 2.84Å; C119-S163 WeakPolarHBondContact O-CB 3.32Å; C119-S163 PolarHBondContact O-OG 3.24Å
120	T	96.8	Very high	93.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.043	21%	0.213	C	C	.	.	S	Bend	trans	-70.2	147.6	176.8	71.1	0	0	0	0	111.3	T74 C75 N117 T118 R123 M124	T74-T120 HydrophobicContact CG2-CG2 3.66Å; C75-T120 WeakPolarHBondContact O-CG2 3.46Å; N117-T120 HydrophobicContact CB-CG2 3.98Å; N117-T120 VanDerWaalsContact CG-CG2 3.49Å; N117-T120 VanDerWaalsContact ND2-CG2 3.34Å; N117-T120 WeakPolarHBondContact ND2-CG2 3.39Å; T118-T120 VanDerWaalsContact C-N 3.33Å; T120-R123 WeakPolarHBondContact O-CB 3.38Å; T120-R123 PolarHBondContact O-N 2.77Å; T120-R123 VanDerWaalsContact O-N 3.08Å; T120-R123 WeakPolarHBondContact OG1-CB 3.38Å; T120-R123 PolarHBondContact OG1-N 3.2Å; T120-M124 PolarHBondContact O-N 2.99Å
121	L	95.9	Very high	93.6	Very high	18 Å²	18	39.5 Å²	39.5	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-57.2	-45.9	177.3	177.3	62.9	0	0	0	112.6	R123 M124 E125 N150 A152 L272	L121-R123 PolarHBondContact O-N 3.21Å; L121-M124 HydrophobicContact CB-CE 4.44Å; L121-M124 HydrophobicContact CD1-CE 3.87Å; L121-M124 PolarHBondContact O-N 3.14Å; L121-M124 VanDerWaalsContact O-N 3.08Å; L121-E125 HydrophobicContact CD1-CG 4.14Å; L121-E125 HydrophobicContact CG-CG 4.37Å; L121-E125 WeakPolarHBondContact O-CG 3.29Å; L121-E125 PolarHBondContact O-N 3.22Å; L121-N150 HydrophobicContact CB-CB 4.05Å; L121-N150 HydrophobicContact CD1-CB 4.23Å; L121-A152 HydrophobicContact CD1-CB 4.09Å; L121-L272 HydrophobicContact CD2-CD1 3.28Å
122	P	94.3	Very high	93.9	Very high	74 Å²	74	36.6 Å²	36.6	48%	0.481	22%	0.215	S	C	.	.	H	α-helix	trans	-56.4	-35.7	174.8	-27.2	36.2	0	0	0	113.4	A126	P122-A126 VanDerWaalsContact O-CB 3.31Å; P122-A126 WeakPolarHBondContact O-CB 3.49Å; P122-A126 PolarHBondContact O-N 3.27Å
123	R	94.9	Very high	94.1	Very high	66 Å²	66	36.5 Å²	36.5	25%	0.249	21%	0.214	C	C	.	.	H	α-helix	trans	-70.5	-39.8	176.6	-168.3	78.3	167.7	118.7	9.7	112.1	E37 E116 T118 T120 L121 A126 T127	E37-R123 IonicContact OE1-NH2 3.44Å; E116-R123 IonicContact OE1-NE 2.71Å; T118-R123 WeakPolarHBondContact O-CG 3.27Å; T120-R123 WeakPolarHBondContact O-CB 3.38Å; T120-R123 PolarHBondContact O-N 2.77Å; T120-R123 VanDerWaalsContact O-N 3.08Å; T120-R123 WeakPolarHBondContact OG1-CB 3.38Å; T120-R123 PolarHBondContact OG1-N 3.2Å; L121-R123 PolarHBondContact O-N 3.21Å; R123-A126 PolarHBondContact O-N 3.11Å; R123-T127 WeakPolarHBondContact O-CB 3.22Å; R123-T127 PolarHBondContact O-N 2.97Å; R123-T127 PolarHBondContact O-OG1 3.17Å
124	M	95	Very high	94.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-47.8	174.5	-66.3	-165.9	-63.5	0	0	110.8	T120 L121 A126 T127 L128 N150 A152 T161 S163	T120-M124 PolarHBondContact O-N 2.99Å; L121-M124 HydrophobicContact CB-CE 4.44Å; L121-M124 HydrophobicContact CD1-CE 3.87Å; L121-M124 PolarHBondContact O-N 3.14Å; L121-M124 VanDerWaalsContact O-N 3.08Å; M124-A126 PolarHBondContact O-N 3.05Å; M124-T127 WeakPolarHBondContact O-CB 3.25Å; M124-T127 PolarHBondContact O-N 3.43Å; M124-T127 VanDerWaalsContact O-N 3.11Å; M124-L128 PolarHBondContact O-N 2.9Å; M124-N150 HydrophobicContact CE-CB 3.66Å; M124-A152 HydrophobicContact CB-CB 4.06Å; M124-T161 HydrophobicContact SD-CG2 3.9Å; M124-S163 WeakPolarHBondContact CE-OG 3.48Å; M124-S163 PolarHBondContact SD-OG 2.94Å
125	E	94.3	Very high	94.2	Very high	31 Å²	31	34.2 Å²	34.2	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-47.8	176.3	-69.5	-174.1	-175.7	0	0	111.9	L121 T127 L128 G129 V132 S134 K273	L121-E125 HydrophobicContact CD1-CG 4.14Å; L121-E125 HydrophobicContact CG-CG 4.37Å; L121-E125 WeakPolarHBondContact O-CG 3.29Å; L121-E125 PolarHBondContact O-N 3.22Å; E125-T127 PolarHBondContact O-N 3.49Å; E125-L128 PolarHBondContact O-N 3.08Å; E125-G129 PolarHBondContact O-N 2.99Å; E125-V132 HydrophobicContact CG-CG1 4.23Å; E125-S134 WeakPolarHBondContact OE1-CB 3.28Å; E125-S134 PolarHBondContact OE1-OG 3.07Å; E125-K273 WeakPolarHBondContact OE2-CD 3.41Å; E125-K273 IonicContact OE2-NZ 2.89Å; E125-K273 PolarHBondContact OE2-NZ 3.05Å
126	A	93	Very high	94.1	Very high	71 Å²	71	34.1 Å²	34.1	59%	0.587	20%	0.204	S	C	*	.	H	α-helix	trans	-62.9	-29.1	178.4	0	0	0	0	0	113.2	P122 R123 M124	P122-A126 VanDerWaalsContact O-CB 3.31Å; P122-A126 WeakPolarHBondContact O-CB 3.49Å; P122-A126 PolarHBondContact O-N 3.27Å; R123-A126 PolarHBondContact O-N 3.11Å; M124-A126 PolarHBondContact O-N 3.05Å
127	T	92.9	Very high	94	Very high	87 Å²	87	34.1 Å²	34.1	53%	0.534	20%	0.204	S	C	.	.	H	α-helix	trans	-75.3	-37.4	178.1	-55.2	0	0	0	0	111.4	R123 M124 E125	R123-T127 WeakPolarHBondContact O-CB 3.22Å; R123-T127 PolarHBondContact O-N 2.97Å; R123-T127 PolarHBondContact O-OG1 3.17Å; M124-T127 WeakPolarHBondContact O-CB 3.25Å; M124-T127 PolarHBondContact O-N 3.43Å; M124-T127 VanDerWaalsContact O-N 3.11Å; E125-T127 PolarHBondContact O-N 3.49Å
128	L	92	Very high	93.9	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-79.2	-23.6	178.5	-68.7	172.8	0	0	0	112.7	M124 E125 V132 A152 R154	M124-L128 PolarHBondContact O-N 2.9Å; E125-L128 PolarHBondContact O-N 3.08Å; L128-V132 HydrophobicContact CB-CB 4.44Å; L128-V132 HydrophobicContact CB-CG1 4.19Å; L128-V132 HydrophobicContact CB-CG2 3.36Å; L128-V132 HydrophobicContact CD1-CG1 3.84Å; L128-V132 HydrophobicContact CD1-CG2 4.47Å; L128-A152 HydrophobicContact CD1-CB 3.67Å; L128-R154 HydrophobicContact CB-CG 3.94Å; L128-R154 HydrophobicContact CD2-CG 4.26Å; L128-R154 VanDerWaalsContact O-CD 3.32Å; L128-R154 WeakPolarHBondContact O-CD 3.41Å
129	G	89.5	Confident	93.9	Very high	40 Å²	40	38.3 Å²	38.3	41%	0.412	22%	0.223	S	C	.	.			trans	89.9	-131.2	172.1	0	0	0	0	0	113.7	E125 V132	E125-G129 PolarHBondContact O-N 2.99Å; G129-V132 VanDerWaalsContact O-CG2 3.28Å; G129-V132 WeakPolarHBondContact O-CG2 3.07Å
130	N	85.3	Confident	93.6	Very high	140 Å²	140	44 Å²	44	75%	0.749	25%	0.253	S	S	*	.	S	Bend	trans	-85.6	162.4	-178.6	-63.1	-34.1	0	0	0	111.3	V132	N130-V132 PolarHBondContact O-N 2.73Å
131	D	87.4	Confident	93.1	Very high	119 Å²	119	44.6 Å²	44.6	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	58.5	27.8	177.3	-51.5	-43.7	0	0	0	114.7	Y243	D131-Y243 PolarHBondContact O-OH 3.38Å
132	V	93.8	Very high	92.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	127.8	176	-175.1	0	0	0	0	109.7	E125 L128 G129 N130 A152 Q153 R154 N274	E125-V132 HydrophobicContact CG-CG1 4.23Å; L128-V132 HydrophobicContact CB-CB 4.44Å; L128-V132 HydrophobicContact CB-CG1 4.19Å; L128-V132 HydrophobicContact CB-CG2 3.36Å; L128-V132 HydrophobicContact CD1-CG1 3.84Å; L128-V132 HydrophobicContact CD1-CG2 4.47Å; G129-V132 VanDerWaalsContact O-CG2 3.28Å; G129-V132 WeakPolarHBondContact O-CG2 3.07Å; N130-V132 PolarHBondContact O-N 2.73Å; V132-A152 HydrophobicContact CG1-CB 4.09Å; V132-Q153 WeakPolarHBondContact CA-O 3.31Å; V132-R154 HydrophobicContact CG2-CG 4.04Å; V132-N274 WeakPolarHBondContact O-CB 3.49Å; V132-N274 PolarHBondContact O-ND2 3.15Å; V132-N274 VanDerWaalsContact O-ND2 3.11Å
133	G	94.7	Very high	91.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.6	168.9	0	0	0	0	0	109.5	A152 Q153 L242 Y243 K273	G133-A152 WeakPolarHBondContact O-CA 3.34Å; G133-Q153 PolarHBondContact N-O 2.99Å; G133-Q153 PolarHBondContact O-N 3.07Å; G133-L242 WeakPolarHBondContact O-CD1 3.4Å; G133-Y243 WeakPolarHBondContact CA-OH 3.49Å; G133-Y243 PolarHBondContact N-OH 3.44Å; G133-K273 VanDerWaalsContact CA-O 3.29Å; G133-K273 WeakPolarHBondContact CA-O 3.24Å
134	S	96.6	Very high	91.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.2	179	61.9	0	0	0	0	113	E125 F151 L272 K273 L275	E125-S134 WeakPolarHBondContact OE1-CB 3.28Å; E125-S134 PolarHBondContact OE1-OG 3.07Å; S134-F151 CarbonylContact C-O 3.23Å; S134-F151 WeakPolarHBondContact CA-O 3.38Å; S134-F151 WeakPolarHBondContact CB-O 3.34Å; S134-L272 WeakPolarHBondContact O-CB 3.28Å; S134-L272 PolarHBondContact O-N 3.27Å; S134-K273 PolarHBondContact N-O 3.32Å; S134-K273 PolarHBondContact O-N 3.02Å; S134-K273 WeakPolarHBondContact OG-CB 3.5Å; S134-L275 WeakPolarHBondContact O-CD1 3.2Å
135	A	96.2	Very high	91.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.3	177.9	0	0	0	0	0	109.8	F151 L242 V269 K270 L275	A135-F151 HydrophobicContact CB-CB 4.42Å; A135-F151 HydrophobicContact CB-CD2 4.26Å; A135-F151 PolarHBondContact N-O 3.23Å; A135-F151 PolarHBondContact O-N 3.4Å; A135-L242 HydrophobicContact CB-CD2 3.81Å; A135-V269 HydrophobicContact CB-CG1 3.79Å; A135-K270 CarbonylContact C-O 3.43Å; A135-K270 VanDerWaalsContact CA-O 3.24Å; A135-K270 WeakPolarHBondContact CA-O 3.42Å; A135-K270 WeakPolarHBondContact CB-O 3.1Å; A135-L275 HydrophobicContact CB-CD1 4.05Å
136	T	96.6	Very high	91.1	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.049	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.2	175	-169.2	0	0	0	0	110.4	F149 N150 V269 K270 L272	T136-F149 CarbonylContact C-O 3.57Å; T136-F149 WeakPolarHBondContact CA-O 3.37Å; T136-F149 PolarHBondContact OG1-O 3.39Å; T136-N150 WeakPolarHBondContact CB-OD1 3.37Å; T136-N150 PolarHBondContact OG1-OD1 3.31Å; T136-V269 CarbonylContact O-C 3.49Å; T136-V269 WeakPolarHBondContact O-CA 3.29Å; T136-K270 PolarHBondContact N-O 2.83Å; T136-K270 PolarHBondContact O-N 3.02Å; T136-L272 HydrophobicContact CG2-CD1 3.83Å; T136-L272 HydrophobicContact CG2-CD2 3.94Å; T136-L272 HydrophobicContact CG2-CG 4.04Å
137	V	95.2	Very high	91.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.2	167	57.2	0	0	0	0	107.6	F139 Y148 F149 F151 L253 G267 V269	V137-F139 HydrophobicContact CB-CE2 4.36Å; V137-F139 HydrophobicContact CG1-CD2 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.45Å; V137-F139 VanDerWaalsContact CG1-CE2 3.45Å; V137-F139 HydrophobicContact CG1-CZ 3.77Å; V137-F139 HydrophobicContact CG2-CD2 4.4Å; V137-F139 HydrophobicContact CG2-CE1 4.3Å; V137-F139 HydrophobicContact CG2-CE2 4.03Å; V137-F139 HydrophobicContact CG2-CZ 3.97Å; V137-Y148 CarbonylContact O-C 3.53Å; V137-Y148 WeakPolarHBondContact O-CA 3.48Å; V137-Y148 VanDerWaalsContact O-CB 3.31Å; V137-Y148 WeakPolarHBondContact O-CB 3.35Å; V137-F149 HydrophobicContact CG1-CB 3.7Å; V137-F149 HydrophobicContact CG1-CD2 4.24Å; V137-F149 HydrophobicContact CG1-CG 4.37Å; V137-F149 PolarHBondContact N-O 2.97Å; V137-F149 PolarHBondContact O-N 2.79Å; V137-F151 HydrophobicContact CB-CE2 4.33Å; V137-F151 HydrophobicContact CG1-CE2 3.72Å; V137-F151 HydrophobicContact CG1-CZ 3.92Å; V137-L253 HydrophobicContact CG1-CD1 4.15Å; V137-G267 WeakPolarHBondContact CG2-O 3.4Å; V137-V269 HydrophobicContact CB-CG2 4.28Å
138	H	95.2	Very high	91.5	Very high	92 Å²	92	49.7 Å²	49.7	43%	0.426	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.3	169.7	-75.9	-99.1	0	0	0	108.4	G147 G267	H138-G147 CarbonylContact C-O 3.55Å; H138-G147 WeakPolarHBondContact CA-O 3.02Å; H138-G267 VanDerWaalsContact O-CA 3.26Å; H138-G267 WeakPolarHBondContact O-CA 3.31Å
139	F	94.7	Very high	91.8	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.7	177.6	-66.5	-87.9	0	0	0	110	V137 L146 G147 F149 I166 L253 I255 A265 C266	V137-F139 HydrophobicContact CB-CE2 4.36Å; V137-F139 HydrophobicContact CG1-CD2 4.3Å; V137-F139 HydrophobicContact CG1-CE2 3.45Å; V137-F139 VanDerWaalsContact CG1-CE2 3.45Å; V137-F139 HydrophobicContact CG1-CZ 3.77Å; V137-F139 HydrophobicContact CG2-CD2 4.4Å; V137-F139 HydrophobicContact CG2-CE1 4.3Å; V137-F139 HydrophobicContact CG2-CE2 4.03Å; V137-F139 HydrophobicContact CG2-CZ 3.97Å; F139-L146 WeakPolarHBondContact O-CA 3.38Å; F139-G147 PolarHBondContact N-O 2.82Å; F139-G147 PolarHBondContact O-N 3.42Å; F139-F149 HydrophobicContact CE2-CB 4.45Å; F139-F149 AromaticContact CE2-CD2 3.33Å; F139-F149 HydrophobicContact CE2-CD2 3.33Å; F139-F149 AromaticContact CE2-CE2 3.55Å; F139-F149 HydrophobicContact CE2-CE2 3.55Å; F139-F149 AromaticContact CE2-CG 3.9Å; F139-F149 HydrophobicContact CE2-CG 3.9Å; F139-F149 HydrophobicContact CE2-CZ 4.32Å; F139-F149 AromaticContact CZ-CD2 3.61Å; F139-F149 HydrophobicContact CZ-CD2 3.61Å; F139-F149 AromaticContact CZ-CE2 3.67Å; F139-F149 HydrophobicContact CZ-CE2 3.67Å; F139-I166 HydrophobicContact CB-CD1 4.31Å; F139-I166 HydrophobicContact CD2-CD1 3.41Å; F139-I166 VanDerWaalsContact CD2-CD1 3.41Å; F139-I166 HydrophobicContact CE2-CD1 3.86Å; F139-I166 HydrophobicContact CG-CD1 3.95Å; F139-L253 HydrophobicContact CE1-CB 3.77Å; F139-L253 HydrophobicContact CZ-CB 3.78Å; F139-L253 HydrophobicContact CZ-CD1 4.3Å; F139-I255 HydrophobicContact CB-CD1 4.42Å; F139-I255 HydrophobicContact CD1-CD1 3.56Å; F139-I255 HydrophobicContact CD1-CG1 3.94Å; F139-I255 HydrophobicContact CD2-CD1 4.36Å; F139-I255 HydrophobicContact CE1-CD1 3.83Å; F139-I255 HydrophobicContact CE1-CG1 3.83Å; F139-I255 HydrophobicContact CG-CD1 3.86Å; F139-I255 HydrophobicContact CZ-CD1 4.33Å; F139-I255 HydrophobicContact CZ-CG1 4.49Å; F139-A265 HydrophobicContact CB-CB 4.16Å; F139-C266 WeakPolarHBondContact CA-O 3.49Å
140	N	91.1	Very high	92.2	Very high	123 Å²	123	46.3 Å²	46.3	66%	0.658	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.8	169.3	-162	-35.5	0	0	0	108.5	C266	N140-C266 PolarHBondContact N-O 2.58Å; N140-C266 PolarHBondContact O-N 2.81Å
141	G	85.8	Confident	92.7	Very high	20 Å²	20	39.7 Å²	39.7	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-177.9	-171.2	0	0	0	0	0	113.5	V145 V264	G141-V145 WeakPolarHBondContact CA-O 3.49Å; G141-V145 PolarHBondContact N-O 3.14Å; G141-V264 CarbonylContact C-O 3.57Å; G141-V264 WeakPolarHBondContact CA-O 3.29Å
142	Y	77.4	Confident	93.2	Very high	105 Å²	105	34 Å²	34	41%	0.412	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-80.5	161.3	171.5	-62.2	-80.2	0	0	0	110.7	G144 V145 G188 L191 V264	Y142-G144 PolarHBondContact O-N 2.71Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; Y142-V145 PolarHBondContact O-N 3.37Å; Y142-G188 WeakPolarHBondContact CE2-O 3.45Å; Y142-G188 PolarHBondContact OH-O 2.04Å; Y142-L191 HydrophobicContact CE1-CD1 3.67Å; Y142-L191 WeakPolarHBondContact OH-CD1 3.21Å; Y142-L191 VanDerWaalsContact OH-CG 3.3Å; Y142-L191 WeakPolarHBondContact OH-CG 3.44Å; Y142-V264 PolarHBondContact N-O 2.82Å
143	R	80.1	Confident	93.3	Very high	237 Å²	237	34 Å²	34	89%	0.894	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	58.8	25.7	173.2	-55.6	-176.5	175.7	-159.3	-2.3	114.8	V145	R143-V145 VanDerWaalsContact C-N 3.34Å
144	G	86.3	Confident	93.3	Very high	43 Å²	43	37.8 Å²	37.8	44%	0.443	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	81.4	11.5	178	0	0	0	0	0	114.2	Y142 L146	Y142-G144 PolarHBondContact O-N 2.71Å; Y142-G144 VanDerWaalsContact O-N 3.14Å; G144-L146 WeakPolarHBondContact O-CD2 3.1Å; G144-L146 PolarHBondContact O-N 3.21Å
145	V	94.1	Very high	92.9	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.042	21%	0.206	C	C	.	.			trans	-69.3	115.3	169.5	-176.1	0	0	0	0	109.1	G141 Y142 R143 I166 V167 G168 L169 V264 A265	G141-V145 WeakPolarHBondContact CA-O 3.49Å; G141-V145 PolarHBondContact N-O 3.14Å; Y142-V145 PolarHBondContact O-N 3.37Å; R143-V145 VanDerWaalsContact C-N 3.34Å; V145-I166 HydrophobicContact CG1-CG2 3.89Å; V145-V167 VanDerWaalsContact CA-O 3.29Å; V145-V167 WeakPolarHBondContact CA-O 3.49Å; V145-G168 VanDerWaalsContact CG2-O 3.23Å; V145-G168 WeakPolarHBondContact CG2-O 3.28Å; V145-L169 HydrophobicContact CG1-CD2 3.91Å; V145-L169 HydrophobicContact CG2-CD2 4.32Å; V145-V264 HydrophobicContact CG1-CG2 4.34Å; V145-V264 HydrophobicContact CG2-CB 4.19Å; V145-V264 HydrophobicContact CG2-CG2 4.4Å; V145-A265 HydrophobicContact CB-CB 4.12Å; V145-A265 HydrophobicContact CG1-CB 3.58Å
146	L	94.9	Very high	92.7	Very high	58 Å²	58	46 Å²	46	30%	0.304	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.5	178.9	65.2	109	0	0	0	109.9	I69 F139 G144 V167	I69-L146 HydrophobicContact CB-CD1 3.56Å; I69-L146 HydrophobicContact CD1-CD1 3.54Å; I69-L146 HydrophobicContact CG1-CD1 3.77Å; I69-L146 HydrophobicContact CG2-CD1 4.27Å; F139-L146 WeakPolarHBondContact O-CA 3.38Å; G144-L146 WeakPolarHBondContact O-CD2 3.1Å; G144-L146 PolarHBondContact O-N 3.21Å; L146-V167 HydrophobicContact CD1-CG2 3.95Å; L146-V167 HydrophobicContact CD2-CG2 4.33Å; L146-V167 HydrophobicContact CG-CG2 3.66Å; L146-V167 PolarHBondContact N-O 3.08Å; L146-V167 WeakPolarHBondContact O-CG2 3.38Å; L146-V167 PolarHBondContact O-N 3.12Å
147	G	96.9	Very high	92.4	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-172.2	-176.6	0	0	0	0	0	113	H138 F139 I165	H138-G147 CarbonylContact C-O 3.55Å; H138-G147 WeakPolarHBondContact CA-O 3.02Å; F139-G147 PolarHBondContact N-O 2.82Å; F139-G147 PolarHBondContact O-N 3.42Å; G147-I165 CarbonylContact C-O 3.51Å; G147-I165 WeakPolarHBondContact CA-O 3.2Å
148	Y	97.6	Very high	92.2	Very high	8 Å²	8	57.2 Å²	57.2	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.4	172.6	65.7	-84.1	0	0	0	111.1	L65 Q68 I69 V137 N150 G164 I165	L65-Y148 PolarHBondContact O-OH 2.87Å; L65-Y148 VanDerWaalsContact O-OH 3.09Å; Q68-Y148 HydrophobicContact CB-CD1 4.31Å; Q68-Y148 HydrophobicContact CB-CE1 3.74Å; Q68-Y148 HydrophobicContact CG-CD1 4.32Å; Q68-Y148 HydrophobicContact CG-CE1 4.16Å; I69-Y148 HydrophobicContact CG2-CD1 3.67Å; I69-Y148 HydrophobicContact CG2-CE1 4.33Å; V137-Y148 CarbonylContact O-C 3.53Å; V137-Y148 WeakPolarHBondContact O-CA 3.48Å; V137-Y148 VanDerWaalsContact O-CB 3.31Å; V137-Y148 WeakPolarHBondContact O-CB 3.35Å; Y148-N150 WeakPolarHBondContact CD2-ND2 3.17Å; Y148-N150 WeakPolarHBondContact CE2-ND2 3.27Å; Y148-G164 WeakPolarHBondContact O-CA 3.44Å; Y148-I165 HydrophobicContact CD1-CG2 4Å; Y148-I165 HydrophobicContact CE1-CG2 3.45Å; Y148-I165 VanDerWaalsContact CE1-CG2 3.45Å; Y148-I165 PolarHBondContact N-O 3.49Å; Y148-I165 PolarHBondContact O-N 3Å
149	F	97.8	Very high	92.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.5	156.9	-59.1	-42.1	0	0	0	109.3	T136 V137 F139 F151 S163 I166 V177 F221 Y231 M233	T136-F149 CarbonylContact C-O 3.57Å; T136-F149 WeakPolarHBondContact CA-O 3.37Å; T136-F149 PolarHBondContact OG1-O 3.39Å; V137-F149 HydrophobicContact CG1-CB 3.7Å; V137-F149 HydrophobicContact CG1-CD2 4.24Å; V137-F149 HydrophobicContact CG1-CG 4.37Å; V137-F149 PolarHBondContact N-O 2.97Å; V137-F149 PolarHBondContact O-N 2.79Å; F139-F149 HydrophobicContact CE2-CB 4.45Å; F139-F149 AromaticContact CE2-CD2 3.33Å; F139-F149 HydrophobicContact CE2-CD2 3.33Å; F139-F149 AromaticContact CE2-CE2 3.55Å; F139-F149 HydrophobicContact CE2-CE2 3.55Å; F139-F149 AromaticContact CE2-CG 3.9Å; F139-F149 HydrophobicContact CE2-CG 3.9Å; F139-F149 HydrophobicContact CE2-CZ 4.32Å; F139-F149 AromaticContact CZ-CD2 3.61Å; F139-F149 HydrophobicContact CZ-CD2 3.61Å; F139-F149 AromaticContact CZ-CE2 3.67Å; F139-F149 HydrophobicContact CZ-CE2 3.67Å; F149-F151 HydrophobicContact CB-CE1 3.96Å; F149-F151 HydrophobicContact CB-CE2 4.32Å; F149-F151 HydrophobicContact CB-CZ 3.67Å; F149-S163 CarbonylContact C-O 3.52Å; F149-S163 VanDerWaalsContact CA-O 3.29Å; F149-S163 WeakPolarHBondContact CA-O 3.18Å; F149-I166 HydrophobicContact CE1-CD1 3.91Å; F149-I166 HydrophobicContact CE1-CG1 3.81Å; F149-I166 HydrophobicContact CE2-CD1 4.3Å; F149-I166 HydrophobicContact CZ-CD1 3.74Å; F149-I166 HydrophobicContact CZ-CG1 3.6Å; F149-V177 HydrophobicContact CE2-CG2 4.37Å; F149-F221 HydrophobicContact CD2-CZ 4.38Å; F149-F221 HydrophobicContact CE2-CE1 4.47Å; F149-F221 AromaticContact CE2-CZ 3.68Å; F149-F221 HydrophobicContact CE2-CZ 3.68Å; F149-F221 AromaticContact CZ-CZ 3.97Å; F149-F221 HydrophobicContact CZ-CZ 3.97Å; F149-Y231 HydrophobicContact CE1-CD1 4.34Å; F149-Y231 HydrophobicContact CE1-CE1 4.25Å; F149-Y231 HydrophobicContact CZ-CD1 4.3Å; F149-Y231 HydrophobicContact CZ-CE1 4.21Å; F149-M233 HydrophobicContact CD1-CE 3.93Å; F149-M233 HydrophobicContact CD1-SD 4.29Å; F149-M233 HydrophobicContact CD2-CE 4.3Å; F149-M233 HydrophobicContact CE1-CB 4.37Å; F149-M233 HydrophobicContact CE1-CE 3.74Å; F149-M233 HydrophobicContact CE2-CE 4.13Å; F149-M233 HydrophobicContact CG-CE 4.24Å; F149-M233 HydrophobicContact CZ-CE 3.85Å
150	N	97.9	Very high	92.2	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	143.9	171.3	-67.3	-35.8	0	0	0	108.7	L121 M124 T136 Y148 S162 S163	L121-N150 HydrophobicContact CB-CB 4.05Å; L121-N150 HydrophobicContact CD1-CB 4.23Å; M124-N150 HydrophobicContact CE-CB 3.66Å; T136-N150 WeakPolarHBondContact CB-OD1 3.37Å; T136-N150 PolarHBondContact OG1-OD1 3.31Å; Y148-N150 WeakPolarHBondContact CD2-ND2 3.17Å; Y148-N150 WeakPolarHBondContact CE2-ND2 3.27Å; N150-S162 WeakPolarHBondContact O-CA 3.45Å; N150-S163 PolarHBondContact N-O 3.07Å; N150-S163 PolarHBondContact O-N 3.06Å
151	F	97.3	Very high	92.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.9	179.5	-51.3	-65.2	0	0	0	108.8	S134 A135 V137 F149 L160 T161 L242 I248 L253 V269	S134-F151 CarbonylContact C-O 3.23Å; S134-F151 WeakPolarHBondContact CA-O 3.38Å; S134-F151 WeakPolarHBondContact CB-O 3.34Å; A135-F151 HydrophobicContact CB-CB 4.42Å; A135-F151 HydrophobicContact CB-CD2 4.26Å; A135-F151 PolarHBondContact N-O 3.23Å; A135-F151 PolarHBondContact O-N 3.4Å; V137-F151 HydrophobicContact CB-CE2 4.33Å; V137-F151 HydrophobicContact CG1-CE2 3.72Å; V137-F151 HydrophobicContact CG1-CZ 3.92Å; F149-F151 HydrophobicContact CB-CE1 3.96Å; F149-F151 HydrophobicContact CB-CE2 4.32Å; F149-F151 HydrophobicContact CB-CZ 3.67Å; F151-L160 HydrophobicContact CB-CD1 4.33Å; F151-L160 HydrophobicContact CB-CD2 4.4Å; F151-L160 HydrophobicContact CD1-CD1 3.55Å; F151-L160 HydrophobicContact CD1-CD2 4.31Å; F151-L160 HydrophobicContact CE1-CD1 4.3Å; F151-L160 HydrophobicContact CG-CD1 4.31Å; F151-L160 HydrophobicContact CG-CD2 4.47Å; F151-T161 WeakPolarHBondContact CA-O 3.5Å; F151-L242 HydrophobicContact CB-CD1 4.25Å; F151-L242 HydrophobicContact CB-CD2 4.22Å; F151-I248 HydrophobicContact CD1-CD1 4.32Å; F151-I248 HydrophobicContact CD2-CD1 3.8Å; F151-I248 HydrophobicContact CE1-CD1 4.43Å; F151-I248 HydrophobicContact CE2-CD1 3.92Å; F151-I248 HydrophobicContact CG-CD1 4Å; F151-I248 HydrophobicContact CZ-CD1 4.24Å; F151-L253 HydrophobicContact CE2-CD1 4.38Å; F151-L253 HydrophobicContact CZ-CD1 3.8Å; F151-V269 HydrophobicContact CD2-CG1 4.13Å; F151-V269 HydrophobicContact CE2-CG1 4.16Å; F151-V269 HydrophobicContact CE2-CG2 4.22Å
152	A	96.8	Very high	93	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.2	171.6	0	0	0	0	0	109	L121 M124 L128 V132 G133 T161	L121-A152 HydrophobicContact CD1-CB 4.09Å; M124-A152 HydrophobicContact CB-CB 4.06Å; L128-A152 HydrophobicContact CD1-CB 3.67Å; V132-A152 HydrophobicContact CG1-CB 4.09Å; G133-A152 WeakPolarHBondContact O-CA 3.34Å; A152-T161 PolarHBondContact N-O 2.65Å; A152-T161 PolarHBondContact O-N 3.1Å
153	Q	96.2	Very high	93.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	141.6	-178.7	-170.9	-173.9	-1.6	0	0	109.3	V132 G133 E157 L160 S241 L242 Y243	V132-Q153 WeakPolarHBondContact CA-O 3.31Å; G133-Q153 PolarHBondContact N-O 2.99Å; G133-Q153 PolarHBondContact O-N 3.07Å; Q153-E157 HydrophobicContact CG-CB 4.22Å; Q153-E157 PolarHBondContact NE2-O 2.87Å; Q153-L160 HydrophobicContact CB-CB 3.91Å; Q153-L160 HydrophobicContact CG-CB 4.19Å; Q153-S241 PolarHBondContact NE2-OG 3.09Å; Q153-L242 HydrophobicContact CB-CD1 3.91Å; Q153-L242 HydrophobicContact CB-CG 4.3Å; Q153-Y243 HydrophobicContact CB-CE2 4.2Å; Q153-Y243 HydrophobicContact CG-CD2 4.37Å; Q153-Y243 HydrophobicContact CG-CE2 4.3Å; Q153-Y243 WeakPolarHBondContact O-CE2 3.41Å; Q153-Y243 PolarHBondContact O-OH 3.13Å
154	R	94.1	Very high	94.7	Very high	80 Å²	80	34.6 Å²	34.6	30%	0.302	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	146.8	165.7	-62.7	171.7	59.1	-132.6	-12.4	110.4	L128 V132 D156 E157	L128-R154 HydrophobicContact CB-CG 3.94Å; L128-R154 HydrophobicContact CD2-CG 4.26Å; L128-R154 VanDerWaalsContact O-CD 3.32Å; L128-R154 WeakPolarHBondContact O-CD 3.41Å; V132-R154 HydrophobicContact CG2-CG 4.04Å; R154-D156 WeakPolarHBondContact CB-OD1 3.41Å; R154-D156 IonicContact CZ-OD1 3.63Å; R154-D156 IonicContact CZ-OD2 2.81Å; R154-D156 VanDerWaalsContact CZ-OD2 3.31Å; R154-D156 IonicContact NE-OD1 3.31Å; R154-D156 PolarHBondContact NE-OD1 2.89Å; R154-D156 IonicContact NH1-OD1 2.82Å; R154-D156 IonicContact NH1-OD2 2.77Å; R154-D156 PolarHBondContact NH1-OD2 2.83Å; R154-D156 IonicContact NH2-OD1 2.86Å; R154-D156 PolarHBondContact NH2-OD1 2.87Å; R154-D156 IonicContact NH2-OD2 2.73Å; R154-D156 PolarHBondContact NH2-OD2 2.86Å; R154-D156 PolarHBondContact O-N 3.01Å; R154-E157 HydrophobicContact CB-CB 4.49Å; R154-E157 HydrophobicContact CB-CG 4.05Å; R154-E157 PolarHBondContact N-OE2 2.88Å; R154-E157 IonicContact NH1-OE1 3.31Å; R154-E157 PolarHBondContact O-N 3.44Å
155	S	89.3	Confident	95.3	Very high	72 Å²	72	32.5 Å²	32.5	50%	0.503	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.8	-177.2	58.9	0	0	0	0	115.3
156	D	90.8	Very high	95.4	Very high	100 Å²	100	32.2 Å²	32.2	54%	0.535	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.9	178.2	63.2	-41.5	0	0	0	114.1	R154	R154-D156 WeakPolarHBondContact CB-OD1 3.41Å; R154-D156 IonicContact CZ-OD1 3.63Å; R154-D156 IonicContact CZ-OD2 2.81Å; R154-D156 VanDerWaalsContact CZ-OD2 3.31Å; R154-D156 IonicContact NE-OD1 3.31Å; R154-D156 PolarHBondContact NE-OD1 2.89Å; R154-D156 IonicContact NH1-OD1 2.82Å; R154-D156 IonicContact NH1-OD2 2.77Å; R154-D156 PolarHBondContact NH1-OD2 2.83Å; R154-D156 IonicContact NH2-OD1 2.86Å; R154-D156 PolarHBondContact NH2-OD1 2.87Å; R154-D156 IonicContact NH2-OD2 2.73Å; R154-D156 PolarHBondContact NH2-OD2 2.86Å; R154-D156 PolarHBondContact O-N 3.01Å
157	E	92	Very high	95.5	Very high	60 Å²	60	30.3 Å²	30.3	28%	0.28	15%	0.15	S	C	.	.			trans	-87.7	145.7	177.5	-72.1	173.2	169.2	0	0	111.2	Q153 R154	Q153-E157 HydrophobicContact CG-CB 4.22Å; Q153-E157 PolarHBondContact NE2-O 2.87Å; R154-E157 HydrophobicContact CB-CB 4.49Å; R154-E157 HydrophobicContact CB-CG 4.05Å; R154-E157 PolarHBondContact N-OE2 2.88Å; R154-E157 IonicContact NH1-OE1 3.31Å; R154-E157 PolarHBondContact O-N 3.44Å
158	K	90.6	Very high	95.4	Very high	186 Å²	186	31.8 Å²	31.8	81%	0.809	17%	0.165	S	C	*	.	S	Bend	trans	-88.4	-20.6	178.8	-66.3	-173.6	178.5	-177.7	0	113.8
159	E	93.3	Very high	95.3	Very high	91 Å²	91	31.5 Å²	31.5	43%	0.425	16%	0.164	S	C	.	.	S	Bend	trans	-120.5	140.4	-177.2	-60.2	-170.1	149.5	0	0	108.5	L238	E159-L238 WeakPolarHBondContact CA-O 3.35Å; E159-L238 WeakPolarHBondContact CB-O 3.46Å
160	L	95.5	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	151.6	171.5	63.5	79.2	0	0	0	110.7	F151 Q153 H237 L238 M240 L242 I248	F151-L160 HydrophobicContact CB-CD1 4.33Å; F151-L160 HydrophobicContact CB-CD2 4.4Å; F151-L160 HydrophobicContact CD1-CD1 3.55Å; F151-L160 HydrophobicContact CD1-CD2 4.31Å; F151-L160 HydrophobicContact CE1-CD1 4.3Å; F151-L160 HydrophobicContact CG-CD1 4.31Å; F151-L160 HydrophobicContact CG-CD2 4.47Å; Q153-L160 HydrophobicContact CB-CB 3.91Å; Q153-L160 HydrophobicContact CG-CB 4.19Å; L160-H237 WeakPolarHBondContact O-CA 3.35Å; L160-L238 HydrophobicContact CD1-CB 3.94Å; L160-L238 HydrophobicContact CD1-CD1 4.24Å; L160-L238 HydrophobicContact CD1-CG 4.42Å; L160-L238 HydrophobicContact CG-CB 4.41Å; L160-L238 PolarHBondContact N-O 3.01Å; L160-L238 PolarHBondContact O-N 2.98Å; L160-M240 HydrophobicContact CD2-CB 3.74Å; L160-M240 HydrophobicContact CD2-CE 4.3Å; L160-M240 HydrophobicContact CG-CB 4.18Å; L160-M240 WeakPolarHBondContact CG-O 3.42Å; L160-M240 PolarHBondContact N-O 2.91Å; L160-M240 VanDerWaalsContact N-O 3.16Å; L160-L242 HydrophobicContact CD2-CD2 4.27Å; L160-L242 HydrophobicContact CD2-CG 4.26Å; L160-I248 HydrophobicContact CD2-CD1 3.57Å; L160-I248 HydrophobicContact CD2-CG1 4.19Å
161	T	96.6	Very high	94.9	Very high	12 Å²	12	40.4 Å²	40.4	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.5	166.4	-57.9	0	0	0	0	109.1	M124 F151 A152 R235 H237	M124-T161 HydrophobicContact SD-CG2 3.9Å; F151-T161 WeakPolarHBondContact CA-O 3.5Å; A152-T161 PolarHBondContact N-O 2.65Å; A152-T161 PolarHBondContact O-N 3.1Å; T161-R235 HydrophobicContact CG2-CB 4.29Å; T161-R235 HydrophobicContact CG2-CG 4.48Å; T161-H237 PolarHBondContact OG1-CE1 3.48Å; T161-H237 VanDerWaalsContact OG1-CE1 3.23Å; T161-H237 PolarHBondContact OG1-ND1 2.85Å
162	S	97.1	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.9	-179.3	58.2	0	0	0	0	112.7	N150 M233 R235 K236 L238	N150-S162 WeakPolarHBondContact O-CA 3.45Å; S162-M233 VanDerWaalsContact CB-SD 3.51Å; S162-M233 PolarHBondContact OG-SD 3.14Å; S162-R235 CarbonylContact O-C 3.6Å; S162-R235 WeakPolarHBondContact O-CA 3.24Å; S162-R235 PolarHBondContact O-N 2.92Å; S162-K236 PolarHBondContact N-O 2.97Å; S162-K236 PolarHBondContact O-N 2.77Å; S162-K236 PolarHBondContact OG-O 3.43Å; S162-L238 VanDerWaalsContact OG-CD1 3.27Å; S162-L238 WeakPolarHBondContact OG-CD1 3.36Å
163	S	97.3	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162.6	169.5	70.5	0	0	0	0	111	C119 M124 F149 N150 M233	C119-S163 WeakPolarHBondContact O-CB 3.32Å; C119-S163 PolarHBondContact O-OG 3.24Å; M124-S163 WeakPolarHBondContact CE-OG 3.48Å; M124-S163 PolarHBondContact SD-OG 2.94Å; F149-S163 CarbonylContact C-O 3.52Å; F149-S163 VanDerWaalsContact CA-O 3.29Å; F149-S163 WeakPolarHBondContact CA-O 3.18Å; N150-S163 PolarHBondContact N-O 3.07Å; N150-S163 PolarHBondContact O-N 3.06Å; S163-M233 VanDerWaalsContact CA-O 3.24Å; S163-M233 WeakPolarHBondContact CA-O 3.4Å
164	G	97.4	Very high	94.5	Very high	4 Å²	4	52.2 Å²	52.2	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-163	167.8	0	0	0	0	0	113.5	Y148 M233	Y148-G164 WeakPolarHBondContact O-CA 3.44Å; G164-M233 PolarHBondContact N-O 2.96Å; G164-M233 VanDerWaalsContact N-O 3.1Å; G164-M233 PolarHBondContact O-N 2.77Å
165	I	97.5	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.2	-173	-172.6	169.6	0	0	0	110.3	L65 K66 I69 G147 Y148 V167 V230 Y231 V232	L65-I165 HydrophobicContact CB-CB 4.42Å; L65-I165 HydrophobicContact CB-CD1 3.68Å; L65-I165 HydrophobicContact CB-CG2 4.36Å; L65-I165 HydrophobicContact CD1-CD1 4.39Å; K66-I165 HydrophobicContact CG-CD1 3.86Å; I69-I165 HydrophobicContact CD1-CG2 4.23Å; G147-I165 CarbonylContact C-O 3.51Å; G147-I165 WeakPolarHBondContact CA-O 3.2Å; Y148-I165 HydrophobicContact CD1-CG2 4Å; Y148-I165 HydrophobicContact CE1-CG2 3.45Å; Y148-I165 VanDerWaalsContact CE1-CG2 3.45Å; Y148-I165 PolarHBondContact N-O 3.49Å; Y148-I165 PolarHBondContact O-N 3Å; I165-V167 HydrophobicContact CD1-CG1 4.11Å; I165-V167 HydrophobicContact CG1-CG1 4.06Å; I165-V230 HydrophobicContact CD1-CG1 3.62Å; I165-V230 HydrophobicContact CG1-CG1 3.59Å; I165-Y231 CarbonylContact C-O 3.54Å; I165-Y231 VanDerWaalsContact CA-O 3.3Å; I165-Y231 WeakPolarHBondContact CA-O 3.49Å; I165-V232 HydrophobicContact CD1-CG2 4.24Å; I165-V232 HydrophobicContact CG1-CG2 4.29Å
166	I	97.3	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.2	168.3	-52	-61.1	0	0	0	107.8	F139 V145 F149 L169 M223 V230 Y231 I255	F139-I166 HydrophobicContact CB-CD1 4.31Å; F139-I166 HydrophobicContact CD2-CD1 3.41Å; F139-I166 VanDerWaalsContact CD2-CD1 3.41Å; F139-I166 HydrophobicContact CE2-CD1 3.86Å; F139-I166 HydrophobicContact CG-CD1 3.95Å; V145-I166 HydrophobicContact CG1-CG2 3.89Å; F149-I166 HydrophobicContact CE1-CD1 3.91Å; F149-I166 HydrophobicContact CE1-CG1 3.81Å; F149-I166 HydrophobicContact CE2-CD1 4.3Å; F149-I166 HydrophobicContact CZ-CD1 3.74Å; F149-I166 HydrophobicContact CZ-CG1 3.6Å; I166-L169 HydrophobicContact CB-CD1 4.19Å; I166-L169 HydrophobicContact CG2-CD1 3.92Å; I166-L169 HydrophobicContact CG2-CD2 3.88Å; I166-L169 HydrophobicContact CG2-CG 3.89Å; I166-M223 HydrophobicContact CG1-SD 4.48Å; I166-V230 CarbonylContact O-C 3.51Å; I166-V230 VanDerWaalsContact O-CA 3.29Å; I166-V230 WeakPolarHBondContact O-CA 3.44Å; I166-V230 WeakPolarHBondContact O-CG1 3.48Å; I166-Y231 HydrophobicContact CG1-CD1 4.46Å; I166-Y231 PolarHBondContact N-O 2.88Å; I166-Y231 PolarHBondContact O-N 3.48Å; I166-I255 HydrophobicContact CD1-CD1 3.69Å; I166-I255 HydrophobicContact CG1-CD1 3.91Å; I166-I255 HydrophobicContact CG2-CD1 4Å
167	V	96.3	Very high	95.1	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.109	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.4	177.1	-53.5	0	0	0	0	110.9	K66 I69 V145 L146 I165 N229 V230	K66-V167 HydrophobicContact CD-CG1 4.06Å; K66-V167 HydrophobicContact CG-CG1 3.78Å; I69-V167 HydrophobicContact CD1-CG1 4.15Å; I69-V167 HydrophobicContact CD1-CG2 4.05Å; V145-V167 VanDerWaalsContact CA-O 3.29Å; V145-V167 WeakPolarHBondContact CA-O 3.49Å; L146-V167 HydrophobicContact CD1-CG2 3.95Å; L146-V167 HydrophobicContact CD2-CG2 4.33Å; L146-V167 HydrophobicContact CG-CG2 3.66Å; L146-V167 PolarHBondContact N-O 3.08Å; L146-V167 WeakPolarHBondContact O-CG2 3.38Å; L146-V167 PolarHBondContact O-N 3.12Å; I165-V167 HydrophobicContact CD1-CG1 4.11Å; I165-V167 HydrophobicContact CG1-CG1 4.06Å; V167-N229 CarbonylContact C-O 3.59Å; V167-V230 HydrophobicContact CB-CG2 4.32Å; V167-V230 HydrophobicContact CG1-CG1 4.38Å; V167-V230 HydrophobicContact CG1-CG2 3.93Å
168	G	95	Very high	95.1	Very high	33 Å²	33	39.6 Å²	39.6	34%	0.34	20%	0.2	S	C	.	.	S	Bend	trans	82	16.8	176.6	0	0	0	0	0	114.3	V145 N229	V145-G168 VanDerWaalsContact CG2-O 3.23Å; V145-G168 WeakPolarHBondContact CG2-O 3.28Å; G168-N229 PolarHBondContact N-O 3.02Å
169	L	95.5	Very high	95.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-77	157.4	176.6	-61.4	174.8	0	0	0	111.2	V145 I166 E171 Y175 M223 N229 V264	V145-L169 HydrophobicContact CG1-CD2 3.91Å; V145-L169 HydrophobicContact CG2-CD2 4.32Å; I166-L169 HydrophobicContact CB-CD1 4.19Å; I166-L169 HydrophobicContact CG2-CD1 3.92Å; I166-L169 HydrophobicContact CG2-CD2 3.88Å; I166-L169 HydrophobicContact CG2-CG 3.89Å; L169-E171 PolarHBondContact O-N 3.1Å; L169-Y175 HydrophobicContact CB-CE2 3.89Å; L169-Y175 HydrophobicContact CD1-CD2 4.31Å; L169-Y175 HydrophobicContact CD1-CE2 4.22Å; L169-Y175 HydrophobicContact CD2-CD1 4.31Å; L169-Y175 HydrophobicContact CD2-CD2 4.41Å; L169-Y175 HydrophobicContact CD2-CE1 3.95Å; L169-Y175 HydrophobicContact CD2-CE2 4.03Å; L169-Y175 HydrophobicContact CG-CE2 4.27Å; L169-M223 HydrophobicContact CD1-CE 3.93Å; L169-M223 HydrophobicContact CD2-CE 4.33Å; L169-N229 PolarHBondContact N-O 2.73Å; L169-N229 WeakPolarHBondContact O-CA 3.38Å; L169-N229 WeakPolarHBondContact O-CB 3.5Å; L169-N229 VanDerWaalsContact O-CG 3.31Å; L169-N229 PolarHBondContact O-ND2 3.25Å; L169-V264 HydrophobicContact CD2-CG2 4.42Å
170	D	94.3	Very high	94.8	Very high	90 Å²	90	27.4 Å²	27.4	48%	0.481	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-70.2	132	171.5	-66	-38.3	0	0	0	109.2	K173 Y175 S225	D170-K173 HydrophobicContact CB-CB 4.29Å; D170-K173 HydrophobicContact CB-CG 3.56Å; D170-K173 WeakPolarHBondContact O-CB 3.09Å; D170-K173 WeakPolarHBondContact O-CG 3.3Å; D170-K173 PolarHBondContact O-N 2.98Å; D170-Y175 WeakPolarHBondContact CB-OH 3.45Å; D170-Y175 PolarHBondContact N-OH 2.74Å; D170-S225 PolarHBondContact O-OG 2.99Å
171	E	92.9	Very high	94.1	Very high	100 Å²	100	32.5 Å²	32.5	47%	0.467	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.6	-174.6	-163	-174.3	165.1	0	0	113	L169 K173 A227 N229	L169-E171 PolarHBondContact O-N 3.1Å; E171-K173 WeakPolarHBondContact O-CG 3.38Å; E171-K173 PolarHBondContact O-N 3Å; E171-A227 WeakPolarHBondContact OE1-CA 3.43Å; E171-N229 PolarHBondContact N-ND2 3.26Å; E171-N229 VanDerWaalsContact N-ND2 3.18Å
172	D	91.5	Very high	92.8	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.294	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	21.8	174.9	-83.4	-43.1	0	0	0	114.9	K224 S225	D172-K224 VanDerWaalsContact OD1-CE 3.29Å; D172-K224 WeakPolarHBondContact OD1-CE 3.1Å; D172-K224 IonicContact OD1-NZ 3.91Å; D172-K224 PolarHBondContact OD1-NZ 2.78Å; D172-S225 WeakPolarHBondContact CA-O 3.47Å; D172-S225 PolarHBondContact N-OG 3.41Å
173	K	94.7	Very high	91.3	Very high	117 Å²	117	37.9 Å²	37.9	51%	0.509	20%	0.195	S	C	.	.			trans	-94.9	146.6	178.3	-63.1	-52.7	-175.5	-178.7	0	112.8	D170 E171 Y175 K224 S225	D170-K173 HydrophobicContact CB-CB 4.29Å; D170-K173 HydrophobicContact CB-CG 3.56Å; D170-K173 WeakPolarHBondContact O-CB 3.09Å; D170-K173 WeakPolarHBondContact O-CG 3.3Å; D170-K173 PolarHBondContact O-N 2.98Å; E171-K173 WeakPolarHBondContact O-CG 3.38Å; E171-K173 PolarHBondContact O-N 3Å; K173-Y175 HydrophobicContact CB-CD2 4.37Å; K173-Y175 HydrophobicContact CB-CE2 3.61Å; K173-Y175 WeakPolarHBondContact O-CD2 2.98Å; K173-K224 WeakPolarHBondContact O-CA 3.48Å; K173-S225 PolarHBondContact N-OG 2.71Å; K173-S225 PolarHBondContact O-N 3.04Å; K173-S225 PolarHBondContact O-OG 2.97Å
174	L	96.4	Very high	89.4	Confident	76 Å²	76	43.6 Å²	43.6	40%	0.398	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.8	171	-68.5	172.1	0	0	0	110.7	K224 K258	L174-K224 HydrophobicContact CD2-CB 3.83Å; L174-K224 HydrophobicContact CD2-CD 4.43Å; L174-K224 HydrophobicContact CD2-CG 3.94Å; L174-K258 HydrophobicContact CB-CB 3.91Å; L174-K258 HydrophobicContact CB-CD 3.87Å; L174-K258 HydrophobicContact CD1-CD 3.88Å; L174-K258 WeakPolarHBondContact O-CB 3.35Å; L174-K258 PolarHBondContact O-N 2.95Å
175	Y	95.8	Very high	87.4	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.2	176.3	-63.7	-96.7	0	0	0	110.1	L169 D170 K173 E222 M223 I255 W256 P257 V264	L169-Y175 HydrophobicContact CB-CE2 3.89Å; L169-Y175 HydrophobicContact CD1-CD2 4.31Å; L169-Y175 HydrophobicContact CD1-CE2 4.22Å; L169-Y175 HydrophobicContact CD2-CD1 4.31Å; L169-Y175 HydrophobicContact CD2-CD2 4.41Å; L169-Y175 HydrophobicContact CD2-CE1 3.95Å; L169-Y175 HydrophobicContact CD2-CE2 4.03Å; L169-Y175 HydrophobicContact CG-CE2 4.27Å; D170-Y175 WeakPolarHBondContact CB-OH 3.45Å; D170-Y175 PolarHBondContact N-OH 2.74Å; K173-Y175 HydrophobicContact CB-CD2 4.37Å; K173-Y175 HydrophobicContact CB-CE2 3.61Å; K173-Y175 WeakPolarHBondContact O-CD2 2.98Å; Y175-E222 WeakPolarHBondContact O-CA 3.45Å; Y175-M223 HydrophobicContact CD1-CE 4.48Å; Y175-M223 HydrophobicContact CD2-CE 4.31Å; Y175-M223 HydrophobicContact CG-CE 3.88Å; Y175-M223 PolarHBondContact N-O 2.83Å; Y175-M223 PolarHBondContact O-N 3.34Å; Y175-I255 HydrophobicContact CD1-CG2 3.88Å; Y175-I255 HydrophobicContact CG-CG2 4.33Å; Y175-W256 CarbonylContact C-O 3.53Å; Y175-W256 WeakPolarHBondContact CA-O 3.44Å; Y175-W256 VanDerWaalsContact CB-O 3.29Å; Y175-W256 WeakPolarHBondContact CB-O 3.4Å; Y175-W256 WeakPolarHBondContact CD1-O 3.33Å; Y175-P257 HydrophobicContact CD1-CB 4.25Å; Y175-P257 HydrophobicContact CD1-CG 4.26Å; Y175-P257 HydrophobicContact CE1-CB 4.07Å; Y175-P257 HydrophobicContact CE1-CG 3.92Å; Y175-V264 HydrophobicContact CD1-CG2 4.19Å; Y175-V264 HydrophobicContact CE1-CG1 4.49Å; Y175-V264 HydrophobicContact CE1-CG2 3.95Å
176	T	95.2	Very high	85.5	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.9	169.2	56.8	0	0	0	0	109.2	E219 E222 W256	T176-E219 HydrophobicContact CG2-CG 4.35Å; T176-E219 WeakPolarHBondContact CG2-OE2 3.44Å; T176-E222 HydrophobicContact CG2-CG 4.27Å; T176-W256 PolarHBondContact N-O 3.17Å; T176-W256 PolarHBondContact O-N 2.96Å
177	V	94.7	Very high	83.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.5	169.5	-178.9	0	0	0	0	108.1	F149 V220 F221 M223 L253 S254 I255	F149-V177 HydrophobicContact CE2-CG2 4.37Å; V177-V220 PolarHBondContact O-N 2.67Å; V177-F221 HydrophobicContact CB-CD1 4.14Å; V177-F221 HydrophobicContact CB-CD2 4.45Å; V177-F221 HydrophobicContact CB-CE1 3.73Å; V177-F221 HydrophobicContact CB-CE2 4.07Å; V177-F221 HydrophobicContact CB-CG 4.48Å; V177-F221 HydrophobicContact CB-CZ 3.68Å; V177-F221 HydrophobicContact CG1-CE1 3.84Å; V177-F221 HydrophobicContact CG1-CZ 4Å; V177-F221 HydrophobicContact CG2-CD2 4.24Å; V177-F221 HydrophobicContact CG2-CE1 4.02Å; V177-F221 HydrophobicContact CG2-CE2 3.55Å; V177-F221 HydrophobicContact CG2-CZ 3.41Å; V177-F221 VanDerWaalsContact CG2-CZ 3.41Å; V177-F221 PolarHBondContact N-O 2.87Å; V177-M223 HydrophobicContact CG2-CE 4.48Å; V177-M223 HydrophobicContact CG2-SD 3.96Å; V177-L253 HydrophobicContact CG1-CB 4.42Å; V177-L253 HydrophobicContact CG1-CD1 4.45Å; V177-S254 WeakPolarHBondContact CA-O 3.04Å; V177-I255 HydrophobicContact CG2-CG1 4.3Å
178	E	92.6	Very high	81.5	Confident	35 Å²	35	54.9 Å²	54.9	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.9	-177.4	-57.1	-176.8	-171.6	0	0	111.2	S217 K218 L253 S254	E178-S217 VanDerWaalsContact OE2-CB 3.27Å; E178-S217 WeakPolarHBondContact OE2-CB 3.17Å; E178-S217 PolarHBondContact OE2-OG 2.81Å; E178-K218 CarbonylContact C-O 3.59Å; E178-K218 VanDerWaalsContact CA-O 3.28Å; E178-K218 WeakPolarHBondContact CA-O 3.32Å; E178-L253 CarbonylContact O-C 3.57Å; E178-L253 WeakPolarHBondContact O-CA 3.25Å; E178-S254 PolarHBondContact N-O 3.07Å; E178-S254 PolarHBondContact O-N 2.03Å; E178-S254 PolarHBondContact O-OG 3.41Å; E178-S254 VanDerWaalsContact O-OG 3.07Å
179	I	90.9	Very high	80.3	Confident	20 Å²	20	53.8 Å²	53.8	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.9	175.8	-172.1	166.7	0	0	0	110.9	S217 K218 V220 M240 I248 M252 L253	I179-S217 CarbonylContact O-C 3.42Å; I179-S217 VanDerWaalsContact O-CA 3.22Å; I179-S217 WeakPolarHBondContact O-CA 3.06Å; I179-K218 HydrophobicContact CG2-CB 4.02Å; I179-K218 WeakPolarHBondContact CG2-O 3.37Å; I179-K218 PolarHBondContact N-O 2.99Å; I179-K218 PolarHBondContact O-N 3.03Å; I179-V220 HydrophobicContact CB-CG2 3.78Å; I179-V220 HydrophobicContact CG2-CG2 3.57Å; I179-M240 HydrophobicContact CD1-SD 4.47Å; I179-I248 HydrophobicContact CD1-CB 3.84Å; I179-I248 HydrophobicContact CD1-CG2 3.52Å; I179-M252 WeakPolarHBondContact CA-O 3.29Å; I179-L253 HydrophobicContact CB-CD2 3.53Å; I179-L253 HydrophobicContact CD1-CD2 4.01Å; I179-L253 HydrophobicContact CG1-CD2 3.68Å
180	S	86.2	Confident	78.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	171.1	173.1	0	0	0	0	110.1	E182 W185 S251 M252	S180-E182 VanDerWaalsContact C-N 3.35Å; S180-E182 PolarHBondContact OG-N 3.49Å; S180-E182 PolarHBondContact OG-O 2.65Å; S180-W185 WeakPolarHBondContact OG-CZ2 3.4Å; S180-W185 PolarHBondContact OG-NE1 2.91Å; S180-S251 WeakPolarHBondContact O-CA 3.48Å; S180-S251 WeakPolarHBondContact O-CB 3.34Å; S180-M252 PolarHBondContact N-O 2.97Å; S180-M252 PolarHBondContact O-N 2.79Å
181	K	80.8	Confident	76.3	Confident	108 Å²	108	56.8 Å²	56.8	47%	0.47	28%	0.281	S	S	.	.	S	Bend	trans	-78.3	-21.6	175.2	-70.1	-75.5	173.7	168.3	0	113.3	D246 R247	K181-D246 VanDerWaalsContact NZ-C 3.26Å; K181-D246 PolarHBondContact NZ-O 2.62Å; K181-R247 PolarHBondContact NZ-O 3.44Å
182	E	69.8	Low	74	Confident	94 Å²	94	54.4 Å²	54.4	44%	0.439	28%	0.284	S	S	.	.			trans	-104.5	122.3	-178.9	-173.7	-167.8	176.3	0	0	108.3	S180 W185 L216	S180-E182 VanDerWaalsContact C-N 3.35Å; S180-E182 PolarHBondContact OG-N 3.49Å; S180-E182 PolarHBondContact OG-O 2.65Å; E182-W185 VanDerWaalsContact CB-NE1 3.25Å; E182-W185 PolarHBondContact O-NE1 3.2Å; E182-L216 HydrophobicContact CB-CD2 3.74Å
183	T	64.5	Low	71.8	Confident	31 Å²	31	53.3 Å²	53.3	19%	0.19	28%	0.278	C	S	.	.			trans	-83.2	-19.7	-170.6	48.1	0	0	0	0	113.3	I193 M252 V268	T183-I193 VanDerWaalsContact O-CD1 3.27Å; T183-I193 WeakPolarHBondContact O-CD1 3.23Å; T183-M252 HydrophobicContact CG2-CB 4.5Å; T183-M252 WeakPolarHBondContact O-CE 3.3Å; T183-V268 HydrophobicContact CG2-CG2 4.31Å
184	D	58	Low	69.2	Low	119 Å²	119	54.6 Å²	54.6	64%	0.636	28%	0.283	S	S	*	.	S	Bend	trans	-94.1	-5.3	-155	-68.7	-4.4	0	0	0	114.9
185	W	54.5	Low	66.4	Low	66 Å²	66	56.5 Å²	56.5	25%	0.25	29%	0.294	C	S	.	.			trans	-124	-2.9	-162.9	62.7	-79.6	0	0	0	115.9	S180 E182 K187 V213 L216	S180-W185 WeakPolarHBondContact OG-CZ2 3.4Å; S180-W185 PolarHBondContact OG-NE1 2.91Å; E182-W185 VanDerWaalsContact CB-NE1 3.25Å; E182-W185 PolarHBondContact O-NE1 3.2Å; W185-K187 PolarHBondContact O-N 2.83Å; W185-V213 WeakPolarHBondContact CH2-O 3.42Å; W185-V213 WeakPolarHBondContact CZ3-O 3.4Å; W185-L216 HydrophobicContact CH2-CB 3.74Å; W185-L216 HydrophobicContact CZ2-CB 3.39Å; W185-L216 HydrophobicContact CZ2-CD2 4.23Å; W185-L216 HydrophobicContact CZ2-CG 4.43Å
186	I	57.7	Low	63.8	Low	6 Å²	6	62.6 Å²	62.6	3%	0.031	32%	0.322	C	S	.	.			trans	-78.3	105.7	179.3	-56.5	-170.3	0	0	0	110.6	G188 C189 S190 M252 W256 P263	I186-G188 PolarHBondContact O-N 2.85Å; I186-C189 HydrophobicContact CB-CB 4.3Å; I186-C189 HydrophobicContact CG2-CB 4.3Å; I186-C189 PolarHBondContact O-N 2.88Å; I186-S190 PolarHBondContact O-N 2.83Å; I186-S190 PolarHBondContact O-OG 3.16Å; I186-M252 HydrophobicContact CB-CE 3.73Å; I186-M252 HydrophobicContact CD1-CE 3.31Å; I186-M252 HydrophobicContact CD1-SD 4.29Å; I186-M252 HydrophobicContact CG1-CE 3.36Å; I186-W256 HydrophobicContact CG2-CZ2 4.13Å; I186-P263 HydrophobicContact CG2-CG 3.6Å
187	K	54.8	Low	61	Low	170 Å²	170	68.3 Å²	68.3	74%	0.739	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	119.5	173.2	-170.6	178	-178.6	178.8	0	109.6	W185 P263	W185-K187 PolarHBondContact O-N 2.83Å; K187-P263 WeakPolarHBondContact O-CD 3.32Å
188	G	56.7	Low	58.1	Low	18 Å²	18	75 Å²	75	19%	0.186	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.2	-31.4	-174.6	0	0	0	0	0	113.6	Y142 I186	Y142-G188 WeakPolarHBondContact CE2-O 3.45Å; Y142-G188 PolarHBondContact OH-O 2.04Å; I186-G188 PolarHBondContact O-N 2.85Å
189	C	69.2	Low	55.3	Low	9 Å²	9	80 Å²	80	6%	0.061	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-13.4	177	-62.9	0	0	0	0	112.8	I186 L191 G192 M252 P263 C266	I186-C189 HydrophobicContact CB-CB 4.3Å; I186-C189 HydrophobicContact CG2-CB 4.3Å; I186-C189 PolarHBondContact O-N 2.88Å; C189-L191 PolarHBondContact O-N 3.39Å; C189-G192 PolarHBondContact O-N 2.88Å; C189-M252 HydrophobicContact CB-SD 4.01Å; C189-P263 WeakPolarHBondContact SG-CG 3.46Å; C189-C266 HydrophobicContact CB-CB 3.44Å; C189-C266 VanDerWaalsContact CB-CB 3.44Å; C189-C266 WeakPolarHBondContact CB-SG 3.38Å; C189-C266 WeakPolarHBondContact SG-CB 3.3Å; C189-C266 CovalentContact SG-SG 1.99Å; C189-C266 PolarHBondContact SG-SG 3.16Å
190	S	57.3	Low	52.4	Low	46 Å²	46	86.8 Å²	86.8	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-63.1	-13.5	172.5	27.7	0	0	0	0	115.1	I186 K194	I186-S190 PolarHBondContact O-N 2.83Å; I186-S190 PolarHBondContact O-OG 3.16Å; S190-K194 WeakPolarHBondContact O-CG 3.16Å
191	L	48.7	Very low	50.1	Low	109 Å²	109	95.6 Å²	95.6	57%	0.571	48%	0.48	S	S	*	.	H	α-helix	trans	-82.5	-26.1	173.3	-68.7	-171.1	0	0	0	113.4	Y142 C189	Y142-L191 HydrophobicContact CE1-CD1 3.67Å; Y142-L191 WeakPolarHBondContact OH-CD1 3.21Å; Y142-L191 VanDerWaalsContact OH-CG 3.3Å; Y142-L191 WeakPolarHBondContact OH-CG 3.44Å; C189-L191 PolarHBondContact O-N 3.39Å
192	G	43.3	Very low	48.1	Very low	51 Å²	51	96.8 Å²	96.8	53%	0.526	50%	0.496	S	S	.	.	H	α-helix	trans	-79.8	-39.3	175.3	0	0	0	0	0	113	C189 K194	C189-G192 PolarHBondContact O-N 2.88Å; G192-K194 PolarHBondContact O-N 2.8Å
193	I	45.5	Very low	46.4	Very low	32 Å²	32	102.1 Å²	102.1	16%	0.164	52%	0.517	C	S	.	.	H	α-helix	trans	-72.7	-27.8	-173.3	-57.3	170.9	0	0	0	112.3	T183 N195 E196 F197 M252	T183-I193 VanDerWaalsContact O-CD1 3.27Å; T183-I193 WeakPolarHBondContact O-CD1 3.23Å; I193-N195 PolarHBondContact O-N 3.16Å; I193-E196 PolarHBondContact O-N 2.04Å; I193-E196 VanDerWaalsContact O-N 3.08Å; I193-F197 HydrophobicContact CG2-CD2 3.83Å; I193-F197 HydrophobicContact CG2-CE2 4.47Å; I193-F197 PolarHBondContact O-N 3.07Å; I193-M252 HydrophobicContact CD1-SD 4.12Å
194	K	41.7	Very low	45.1	Very low	143 Å²	143	104.3 Å²	104.3	62%	0.622	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12	-177	-84.9	-179.8	-179.8	-179.9	0	115.3	S190 G192	S190-K194 WeakPolarHBondContact O-CG 3.16Å; G192-K194 PolarHBondContact O-N 2.8Å
195	N	36.3	Very low	44.1	Very low	117 Å²	117	105.6 Å²	105.6	63%	0.626	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-15.6	174.7	-79.9	-20.4	0	0	0	114.4	I193 K198	I193-N195 PolarHBondContact O-N 3.16Å; N195-K198 PolarHBondContact OD1-NZ 3.23Å
196	E	41.8	Very low	43.1	Very low	129 Å²	129	107.9 Å²	107.9	60%	0.603	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-24.6	173.8	-69	-170.1	156.5	0	0	112.6	I193 K270	I193-E196 PolarHBondContact O-N 2.04Å; I193-E196 VanDerWaalsContact O-N 3.08Å; E196-K270 IonicContact OE1-NZ 2.88Å; E196-K270 PolarHBondContact OE1-NZ 2.89Å; E196-K270 IonicContact OE2-NZ 3.33Å; E196-K270 PolarHBondContact OE2-NZ 2.92Å
197	F	37.3	Very low	42.1	Very low	132 Å²	132	116.1 Å²	116.1	58%	0.579	62%	0.616	S	S	*	*			trans	-102.2	21.3	-178.4	-89.3	-89.1	0	0	0	116	I193 V199 M200	I193-F197 HydrophobicContact CG2-CD2 3.83Å; I193-F197 HydrophobicContact CG2-CE2 4.47Å; I193-F197 PolarHBondContact O-N 3.07Å; F197-V199 PolarHBondContact O-N 3.24Å; F197-M200 PolarHBondContact O-N 3.41Å
198	K	33	Very low	41	Very low	141 Å²	141	113 Å²	113	61%	0.613	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	14.9	-176.3	-112.2	171.4	-173.7	161.9	0	116.1	N195	N195-K198 PolarHBondContact OD1-NZ 3.23Å
199	V	32.8	Very low	39.8	Very low	138 Å²	138	121.6 Å²	121.6	84%	0.836	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-7.7	177.3	-176.3	0	0	0	0	113.3	F197	F197-V199 PolarHBondContact O-N 3.24Å
200	M	31.8	Very low	38.1	Very low	163 Å²	163	126.3 Å²	126.3	80%	0.803	67%	0.67	S	S	*	*			trans	-125.2	77.5	176.2	-65.9	-163	-127.1	0	0	112.9	F197	F197-M200 PolarHBondContact O-N 3.41Å
201	K	36.7	Very low	36.9	Very low	186 Å²	186	131.4 Å²	131.4	81%	0.809	69%	0.688	S	S	*	*			trans	-99.5	92.2	159.4	-85	-171.8	176.8	-179.9	0	109.3
202	V	38.1	Very low	36.4	Very low	133 Å²	133	130.5 Å²	130.5	81%	0.806	69%	0.689	S	S	*	*			trans	-81.3	121	158.2	179.9	0	0	0	0	107.4
203	K	34.2	Very low	36.1	Very low	205 Å²	205	131.3 Å²	131.3	89%	0.891	68%	0.684	S	S	*	*	S	Bend	trans	-64.3	132.6	174.5	-74.8	178.2	173.9	177.1	0	109.6
204	G	39	Very low	36	Very low	78 Å²	78	135.2 Å²	135.2	80%	0.804	71%	0.709	S	S	*	*			trans	110.6	24.7	147.6	0	0	0	0	0	119.5
205	I	36.4	Very low	36.2	Very low	146 Å²	146	134.2 Å²	134.2	75%	0.749	72%	0.715	S	S	*	*			trans	-123.8	113.1	170.6	-55.5	176.9	0	0	0	109.6	Q207	I205-Q207 PolarHBondContact O-N 2.97Å
206	S	33.5	Very low	37.4	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	71%	0.705	S	S	*	*			trans	-63.7	110.7	163	49.8	0	0	0	0	108.4
207	Q	37	Very low	39	Very low	180 Å²	180	127.7 Å²	127.7	84%	0.841	69%	0.686	S	S	*	*			trans	-68.8	133.8	174.5	-82.5	179.6	-39.9	0	0	110.1	I205	I205-Q207 PolarHBondContact O-N 2.97Å
208	P	31.4	Very low	41.3	Very low	105 Å²	105	128.5 Å²	128.5	68%	0.682	69%	0.69	S	S	*	*			trans	-65.9	146	170.4	28.5	-31.1	0	0	0	109.6	V210	P208-V210 PolarHBondContact O-N 3.28Å; P208-V210 VanDerWaalsContact O-N 3.08Å
209	Y	31.5	Very low	44	Very low	198 Å²	198	126.3 Å²	126.3	78%	0.776	68%	0.682	S	S	*	*			trans	-61.6	109	169.2	179.3	-93.7	0	0	0	108.4
210	V	33.6	Very low	46.8	Very low	108 Å²	108	121.1 Å²	121.1	66%	0.655	65%	0.65	S	S	*	*			trans	-96.1	125.6	173.1	-173.8	0	0	0	0	107.1	P208	P208-V210 PolarHBondContact O-N 3.28Å; P208-V210 VanDerWaalsContact O-N 3.08Å
211	E	32.5	Very low	49.7	Very low	152 Å²	152	114 Å²	114	71%	0.71	62%	0.615	S	S	*	*			trans	-53.1	144	171.2	-71.8	-175.8	159.2	0	0	110	V213	E211-V213 PolarHBondContact O-N 3.4Å
212	P	37.3	Very low	52.5	Low	91 Å²	91	109 Å²	109	59%	0.591	59%	0.594	S	S	*	*			trans	-62.8	111	176.4	26.7	-30.4	0	0	0	107.8	T214	P212-T214 HydrophobicContact CB-CG2 4.4Å; P212-T214 PolarHBondContact O-N 2.91Å
213	V	36.3	Very low	55.2	Low	67 Å²	67	102.8 Å²	102.8	41%	0.406	56%	0.557	S	S	.	*			trans	-71.6	85.8	172.1	-179	0	0	0	0	106.6	W185 E211 T215 L216	W185-V213 WeakPolarHBondContact CH2-O 3.42Å; W185-V213 WeakPolarHBondContact CZ3-O 3.4Å; E211-V213 PolarHBondContact O-N 3.4Å; V213-T215 WeakPolarHBondContact CG1-OG1 3.5Å; V213-T215 PolarHBondContact O-N 3.36Å; V213-L216 HydrophobicContact CG1-CD1 4.35Å
214	T	43.2	Very low	58.1	Low	115 Å²	115	95.6 Å²	95.6	71%	0.706	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	14.9	178.7	53.5	0	0	0	0	113.3	P212	P212-T214 HydrophobicContact CB-CG2 4.4Å; P212-T214 PolarHBondContact O-N 2.91Å
215	T	47.6	Very low	60.7	Low	121 Å²	121	91.9 Å²	91.9	74%	0.742	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.6	-179.2	41.8	0	0	0	0	114.3	V213	V213-T215 WeakPolarHBondContact CG1-OG1 3.5Å; V213-T215 PolarHBondContact O-N 3.36Å
216	L	61.4	Low	63.4	Low	78 Å²	78	85.3 Å²	85.3	41%	0.408	45%	0.454	S	S	.	.	S	Bend	trans	-95.7	-15.1	-179.2	-122.1	98.9	0	0	0	115	E182 W185 V213	E182-L216 HydrophobicContact CB-CD2 3.74Å; W185-L216 HydrophobicContact CH2-CB 3.74Å; W185-L216 HydrophobicContact CZ2-CB 3.39Å; W185-L216 HydrophobicContact CZ2-CD2 4.23Å; W185-L216 HydrophobicContact CZ2-CG 4.43Å; V213-L216 HydrophobicContact CG1-CD1 4.35Å
217	S	73.8	Confident	66.1	Low	31 Å²	31	82.4 Å²	82.4	22%	0.217	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.5	177.2	61.3	0	0	0	0	111.2	E178 I179	E178-S217 VanDerWaalsContact OE2-CB 3.27Å; E178-S217 WeakPolarHBondContact OE2-CB 3.17Å; E178-S217 PolarHBondContact OE2-OG 2.81Å; I179-S217 CarbonylContact O-C 3.42Å; I179-S217 VanDerWaalsContact O-CA 3.22Å; I179-S217 WeakPolarHBondContact O-CA 3.06Å
218	K	86.1	Confident	68.7	Low	149 Å²	149	78 Å²	78	65%	0.648	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	174.5	179.9	-176.6	174.6	-173.5	0	108.8	E178 I179 V220	E178-K218 CarbonylContact C-O 3.59Å; E178-K218 VanDerWaalsContact CA-O 3.28Å; E178-K218 WeakPolarHBondContact CA-O 3.32Å; I179-K218 HydrophobicContact CG2-CB 4.02Å; I179-K218 WeakPolarHBondContact CG2-O 3.37Å; I179-K218 PolarHBondContact N-O 2.99Å; I179-K218 PolarHBondContact O-N 3.03Å; K218-V220 PolarHBondContact O-N 2.91Å
219	E	89.1	Confident	71.7	Confident	95 Å²	95	76.2 Å²	76.2	44%	0.444	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.5	169.6	-171.3	-178.4	127.9	0	0	110	T176 E222	T176-E219 HydrophobicContact CG2-CG 4.35Å; T176-E219 WeakPolarHBondContact CG2-OE2 3.44Å; E219-E222 WeakPolarHBondContact OE1-CG 3.03Å
220	V	91.6	Very high	74.8	Confident	29 Å²	29	66.9 Å²	66.9	18%	0.176	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-47.2	179	-174.5	0	0	0	0	110.4	V177 I179 K218 M240	V177-V220 PolarHBondContact O-N 2.67Å; I179-V220 HydrophobicContact CB-CG2 3.78Å; I179-V220 HydrophobicContact CG2-CG2 3.57Å; K218-V220 PolarHBondContact O-N 2.91Å; V220-M240 HydrophobicContact CB-SD 4.22Å; V220-M240 HydrophobicContact CG1-CE 3.51Å; V220-M240 HydrophobicContact CG1-CG 4.01Å; V220-M240 HydrophobicContact CG1-SD 3.27Å; V220-M240 WeakPolarHBondContact CG1-SD 3.03Å; V220-M240 HydrophobicContact CG2-SD 3.83Å
221	F	94.1	Very high	77.7	Confident	13 Å²	13	62.4 Å²	62.4	6%	0.057	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	158.3	176.4	64	-87.7	0	0	0	111.8	F149 V177 M223 Y231 M233 L238	F149-F221 HydrophobicContact CD2-CZ 4.38Å; F149-F221 HydrophobicContact CE2-CE1 4.47Å; F149-F221 AromaticContact CE2-CZ 3.68Å; F149-F221 HydrophobicContact CE2-CZ 3.68Å; F149-F221 AromaticContact CZ-CZ 3.97Å; F149-F221 HydrophobicContact CZ-CZ 3.97Å; V177-F221 HydrophobicContact CB-CD1 4.14Å; V177-F221 HydrophobicContact CB-CD2 4.45Å; V177-F221 HydrophobicContact CB-CE1 3.73Å; V177-F221 HydrophobicContact CB-CE2 4.07Å; V177-F221 HydrophobicContact CB-CG 4.48Å; V177-F221 HydrophobicContact CB-CZ 3.68Å; V177-F221 HydrophobicContact CG1-CE1 3.84Å; V177-F221 HydrophobicContact CG1-CZ 4Å; V177-F221 HydrophobicContact CG2-CD2 4.24Å; V177-F221 HydrophobicContact CG2-CE1 4.02Å; V177-F221 HydrophobicContact CG2-CE2 3.55Å; V177-F221 HydrophobicContact CG2-CZ 3.41Å; V177-F221 VanDerWaalsContact CG2-CZ 3.41Å; V177-F221 PolarHBondContact N-O 2.87Å; F221-M223 HydrophobicContact CE2-CB 4.27Å; F221-Y231 HydrophobicContact CE2-CE1 4.12Å; F221-M233 HydrophobicContact CD2-CE 4.44Å; F221-M233 HydrophobicContact CE1-CE 3.79Å; F221-M233 HydrophobicContact CE2-CE 3.52Å; F221-M233 HydrophobicContact CZ-CE 3.13Å; F221-L238 HydrophobicContact CB-CD2 4.38Å; F221-L238 HydrophobicContact CD1-CD1 4.06Å; F221-L238 HydrophobicContact CD1-CD2 3.96Å; F221-L238 HydrophobicContact CE1-CD1 4.04Å; F221-L238 HydrophobicContact CG-CD2 4.36Å
222	E	94.6	Very high	80.8	Confident	81 Å²	81	55.6 Å²	55.6	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.9	168.5	-55	-160.7	152.2	0	0	111.3	Y175 T176 E219 K258	Y175-E222 WeakPolarHBondContact O-CA 3.45Å; T176-E222 HydrophobicContact CG2-CG 4.27Å; E219-E222 WeakPolarHBondContact OE1-CG 3.03Å; E222-K258 VanDerWaalsContact CD-NZ 3.26Å; E222-K258 WeakPolarHBondContact OE1-CE 3.32Å; E222-K258 IonicContact OE1-NZ 3.41Å; E222-K258 PolarHBondContact OE1-NZ 3.36Å; E222-K258 IonicContact OE2-NZ 2.97Å; E222-K258 PolarHBondContact OE2-NZ 3.4Å
223	M	94.6	Very high	83.6	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.4	172.4	66.9	-177.7	-167.8	0	0	110.9	I166 L169 Y175 V177 F221 Y231 I255	I166-M223 HydrophobicContact CG1-SD 4.48Å; L169-M223 HydrophobicContact CD1-CE 3.93Å; L169-M223 HydrophobicContact CD2-CE 4.33Å; Y175-M223 HydrophobicContact CD1-CE 4.48Å; Y175-M223 HydrophobicContact CD2-CE 4.31Å; Y175-M223 HydrophobicContact CG-CE 3.88Å; Y175-M223 PolarHBondContact N-O 2.83Å; Y175-M223 PolarHBondContact O-N 3.34Å; V177-M223 HydrophobicContact CG2-CE 4.48Å; V177-M223 HydrophobicContact CG2-SD 3.96Å; F221-M223 HydrophobicContact CE2-CB 4.27Å; M223-Y231 HydrophobicContact CB-CD1 3.8Å; M223-Y231 HydrophobicContact CB-CD2 3.71Å; M223-Y231 HydrophobicContact CB-CE1 3.68Å; M223-Y231 HydrophobicContact CB-CE2 3.62Å; M223-Y231 HydrophobicContact CB-CG 3.8Å; M223-Y231 HydrophobicContact CG-CD1 4.16Å; M223-Y231 HydrophobicContact CG-CE1 4.41Å; M223-Y231 HydrophobicContact CG-CG 4.21Å; M223-Y231 HydrophobicContact SD-CD1 3.38Å; M223-Y231 WeakPolarHBondContact SD-CD1 3.02Å; M223-Y231 HydrophobicContact SD-CE1 3.88Å; M223-Y231 HydrophobicContact SD-CG 3.84Å; M223-I255 HydrophobicContact CE-CB 4.34Å; M223-I255 HydrophobicContact CE-CD1 4.16Å; M223-I255 HydrophobicContact CE-CG1 4.19Å; M223-I255 HydrophobicContact CE-CG2 3.26Å
224	K	95.2	Very high	86.3	Confident	54 Å²	54	48.6 Å²	48.6	24%	0.235	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.7	171.9	-167.2	-173.3	160.8	-147.6	0	108.3	D25 I28 D172 K173 L174 Y231	D25-K224 IonicContact OD1-NZ 3.03Å; I28-K224 HydrophobicContact CD1-CD 3.81Å; I28-K224 HydrophobicContact CD1-CG 4.34Å; D172-K224 VanDerWaalsContact OD1-CE 3.29Å; D172-K224 WeakPolarHBondContact OD1-CE 3.1Å; D172-K224 IonicContact OD1-NZ 3.91Å; D172-K224 PolarHBondContact OD1-NZ 2.78Å; K173-K224 WeakPolarHBondContact O-CA 3.48Å; L174-K224 HydrophobicContact CD2-CB 3.83Å; L174-K224 HydrophobicContact CD2-CD 4.43Å; L174-K224 HydrophobicContact CD2-CG 3.94Å; K224-Y231 WeakPolarHBondContact O-CD2 3.29Å
225	S	94.5	Very high	88.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.			trans	-74.5	150.4	171.1	51.2	0	0	0	0	111.4	D170 D172 K173 V230	D170-S225 PolarHBondContact O-OG 2.99Å; D172-S225 WeakPolarHBondContact CA-O 3.47Å; D172-S225 PolarHBondContact N-OG 3.41Å; K173-S225 PolarHBondContact N-OG 2.71Å; K173-S225 PolarHBondContact O-N 3.04Å; K173-S225 PolarHBondContact O-OG 2.97Å; S225-V230 CarbonylContact C-O 3.56Å; S225-V230 WeakPolarHBondContact CA-O 3.44Å
226	D	92.2	Very high	90.9	Very high	8 Å²	8	45 Å²	45	4%	0.043	22%	0.223	C	C	.	.			trans	-86.7	178.1	178.2	80.6	-9	0	0	0	112.4	I28 R62 H228 N229 V230	I28-D226 HydrophobicContact CG2-CB 3.28Å; R62-D226 IonicContact CZ-OD2 3.71Å; R62-D226 VanDerWaalsContact CZ-OD2 3.31Å; R62-D226 IonicContact NE-OD2 2.85Å; R62-D226 PolarHBondContact NE-OD2 2.8Å; R62-D226 IonicContact NH2-OD2 3.8Å; R62-D226 PolarHBondContact NH2-OD2 3.49Å; D226-H228 PolarHBondContact O-N 3.35Å; D226-H228 VanDerWaalsContact O-N 3.08Å; D226-H228 WeakPolarHBondContact OD1-CA 3.02Å; D226-H228 WeakPolarHBondContact OD1-CB 3.09Å; D226-H228 PolarHBondContact OD1-N 2.81Å; D226-H228 IonicContact OD2-ND1 3.79Å; D226-N229 PolarHBondContact O-N 3.44Å; D226-N229 PolarHBondContact OD1-N 3.18Å; D226-N229 VanDerWaalsContact OD1-N 3.16Å; D226-V230 PolarHBondContact N-O 2.73Å; D226-V230 WeakPolarHBondContact OD1-CA 3.19Å; D226-V230 WeakPolarHBondContact OD1-CB 3.4Å; D226-V230 PolarHBondContact OD1-N 3Å
227	A	91.7	Very high	92.5	Very high	52 Å²	52	46.6 Å²	46.6	43%	0.43	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.9	174.8	0	0	0	0	0	113.9	E171	E171-A227 WeakPolarHBondContact OE1-CA 3.43Å
228	H	91.6	Very high	93.5	Very high	88 Å²	88	45.3 Å²	45.3	41%	0.407	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	15.6	-178.7	-56.5	88.7	0	0	0	112.6	D59 R62 D226 V230	D59-H228 IonicContact OD1-NE2 2.75Å; R62-H228 PolarHBondContact NH2-ND1 3.02Å; D226-H228 PolarHBondContact O-N 3.35Å; D226-H228 VanDerWaalsContact O-N 3.08Å; D226-H228 WeakPolarHBondContact OD1-CA 3.02Å; D226-H228 WeakPolarHBondContact OD1-CB 3.09Å; D226-H228 PolarHBondContact OD1-N 2.81Å; D226-H228 IonicContact OD2-ND1 3.79Å; H228-V230 VanDerWaalsContact C-N 3.27Å; H228-V230 WeakPolarHBondContact O-CG2 3.48Å; H228-V230 PolarHBondContact O-N 2.87Å
229	N	94.1	Very high	93.8	Very high	66 Å²	66	42.7 Å²	42.7	35%	0.353	22%	0.217	S	C	.	.	S	Bend	trans	66.1	26.7	-179.9	-54.1	113.2	0	0	0	113.5	V167 G168 L169 E171 D226	V167-N229 CarbonylContact C-O 3.59Å; G168-N229 PolarHBondContact N-O 3.02Å; L169-N229 PolarHBondContact N-O 2.73Å; L169-N229 WeakPolarHBondContact O-CA 3.38Å; L169-N229 WeakPolarHBondContact O-CB 3.5Å; L169-N229 VanDerWaalsContact O-CG 3.31Å; L169-N229 PolarHBondContact O-ND2 3.25Å; E171-N229 PolarHBondContact N-ND2 3.26Å; E171-N229 VanDerWaalsContact N-ND2 3.18Å; D226-N229 PolarHBondContact O-N 3.44Å; D226-N229 PolarHBondContact OD1-N 3.18Å; D226-N229 VanDerWaalsContact OD1-N 3.16Å
230	V	94.9	Very high	93.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.4	-174.7	178.1	0	0	0	0	111.2	I165 I166 V167 S225 D226 H228 V232	I165-V230 HydrophobicContact CD1-CG1 3.62Å; I165-V230 HydrophobicContact CG1-CG1 3.59Å; I166-V230 CarbonylContact O-C 3.51Å; I166-V230 VanDerWaalsContact O-CA 3.29Å; I166-V230 WeakPolarHBondContact O-CA 3.44Å; I166-V230 WeakPolarHBondContact O-CG1 3.48Å; V167-V230 HydrophobicContact CB-CG2 4.32Å; V167-V230 HydrophobicContact CG1-CG1 4.38Å; V167-V230 HydrophobicContact CG1-CG2 3.93Å; S225-V230 CarbonylContact C-O 3.56Å; S225-V230 WeakPolarHBondContact CA-O 3.44Å; D226-V230 PolarHBondContact N-O 2.73Å; D226-V230 WeakPolarHBondContact OD1-CA 3.19Å; D226-V230 WeakPolarHBondContact OD1-CB 3.4Å; D226-V230 PolarHBondContact OD1-N 3Å; H228-V230 VanDerWaalsContact C-N 3.27Å; H228-V230 WeakPolarHBondContact O-CG2 3.48Å; H228-V230 PolarHBondContact O-N 2.87Å; V230-V232 HydrophobicContact CG1-CG2 3.92Å
231	Y	96.2	Very high	94	Very high	14 Å²	14	38.2 Å²	38.2	6%	0.055	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.4	160	171.1	-111.6	0	0	0	109	F149 I165 I166 F221 M223 K224 M233	F149-Y231 HydrophobicContact CE1-CD1 4.34Å; F149-Y231 HydrophobicContact CE1-CE1 4.25Å; F149-Y231 HydrophobicContact CZ-CD1 4.3Å; F149-Y231 HydrophobicContact CZ-CE1 4.21Å; I165-Y231 CarbonylContact C-O 3.54Å; I165-Y231 VanDerWaalsContact CA-O 3.3Å; I165-Y231 WeakPolarHBondContact CA-O 3.49Å; I166-Y231 HydrophobicContact CG1-CD1 4.46Å; I166-Y231 PolarHBondContact N-O 2.88Å; I166-Y231 PolarHBondContact O-N 3.48Å; F221-Y231 HydrophobicContact CE2-CE1 4.12Å; M223-Y231 HydrophobicContact CB-CD1 3.8Å; M223-Y231 HydrophobicContact CB-CD2 3.71Å; M223-Y231 HydrophobicContact CB-CE1 3.68Å; M223-Y231 HydrophobicContact CB-CE2 3.62Å; M223-Y231 HydrophobicContact CB-CG 3.8Å; M223-Y231 HydrophobicContact CG-CD1 4.16Å; M223-Y231 HydrophobicContact CG-CE1 4.41Å; M223-Y231 HydrophobicContact CG-CG 4.21Å; M223-Y231 HydrophobicContact SD-CD1 3.38Å; M223-Y231 WeakPolarHBondContact SD-CD1 3.02Å; M223-Y231 HydrophobicContact SD-CE1 3.88Å; M223-Y231 HydrophobicContact SD-CG 3.84Å; K224-Y231 WeakPolarHBondContact O-CD2 3.29Å; Y231-M233 HydrophobicContact CE1-CB 3.9Å; Y231-M233 HydrophobicContact CE1-CE 4.09Å
232	V	96.6	Very high	94	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.8	173	178.8	0	0	0	0	108.5	L32 L65 I165 V230	L32-V232 HydrophobicContact CD1-CG2 4.17Å; L65-V232 HydrophobicContact CD1-CB 4.47Å; L65-V232 HydrophobicContact CD1-CG1 3.66Å; L65-V232 HydrophobicContact CD1-CG2 3.91Å; I165-V232 HydrophobicContact CD1-CG2 4.24Å; I165-V232 HydrophobicContact CG1-CG2 4.29Å; V230-V232 HydrophobicContact CG1-CG2 3.92Å
233	M	95.7	Very high	93.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.9	172.1	-178.4	-169.7	-67.2	0	0	108.9	F149 S162 S163 G164 F221 Y231 K236	F149-M233 HydrophobicContact CD1-CE 3.93Å; F149-M233 HydrophobicContact CD1-SD 4.29Å; F149-M233 HydrophobicContact CD2-CE 4.3Å; F149-M233 HydrophobicContact CE1-CB 4.37Å; F149-M233 HydrophobicContact CE1-CE 3.74Å; F149-M233 HydrophobicContact CE2-CE 4.13Å; F149-M233 HydrophobicContact CG-CE 4.24Å; F149-M233 HydrophobicContact CZ-CE 3.85Å; S162-M233 VanDerWaalsContact CB-SD 3.51Å; S162-M233 PolarHBondContact OG-SD 3.14Å; S163-M233 VanDerWaalsContact CA-O 3.24Å; S163-M233 WeakPolarHBondContact CA-O 3.4Å; G164-M233 PolarHBondContact N-O 2.96Å; G164-M233 VanDerWaalsContact N-O 3.1Å; G164-M233 PolarHBondContact O-N 2.77Å; F221-M233 HydrophobicContact CD2-CE 4.44Å; F221-M233 HydrophobicContact CE1-CE 3.79Å; F221-M233 HydrophobicContact CE2-CE 3.52Å; F221-M233 HydrophobicContact CZ-CE 3.13Å; Y231-M233 HydrophobicContact CE1-CB 3.9Å; Y231-M233 HydrophobicContact CE1-CE 4.09Å; M233-K236 HydrophobicContact CG-CB 3.84Å; M233-K236 HydrophobicContact CG-CD 4.49Å; M233-K236 HydrophobicContact SD-CB 4.16Å
234	A	94.6	Very high	93.3	Very high	10 Å²	10	40 Å²	40	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.9	170.5	0	0	0	0	0	110.6	D31 Q34 K236	D31-A234 HydrophobicContact CB-CB 4.27Å; D31-A234 VanDerWaalsContact O-CB 3.27Å; D31-A234 WeakPolarHBondContact O-CB 3.49Å; Q34-A234 HydrophobicContact CB-CB 3.7Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.46Å
235	R	92.3	Very high	92.6	Very high	89 Å²	89	43.3 Å²	43.3	34%	0.336	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	26	65	170.4	-67.3	-176.5	-179	171.7	-6.5	114.6	T118 T161 S162	T118-R235 VanDerWaalsContact O-CZ 3.31Å; T118-R235 PolarHBondContact O-NE 2.86Å; T118-R235 PolarHBondContact O-NH2 3.47Å; T161-R235 HydrophobicContact CG2-CB 4.29Å; T161-R235 HydrophobicContact CG2-CG 4.48Å; S162-R235 CarbonylContact O-C 3.6Å; S162-R235 WeakPolarHBondContact O-CA 3.24Å; S162-R235 PolarHBondContact O-N 2.92Å
236	K	94.4	Very high	92.1	Very high	71 Å²	71	49.8 Å²	49.8	31%	0.309	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.5	178.2	-171.3	170.7	-177.5	174.2	0	109.3	S162 M233 A234 L238	S162-K236 PolarHBondContact N-O 2.97Å; S162-K236 PolarHBondContact O-N 2.77Å; S162-K236 PolarHBondContact OG-O 3.43Å; M233-K236 HydrophobicContact CG-CB 3.84Å; M233-K236 HydrophobicContact CG-CD 4.49Å; M233-K236 HydrophobicContact SD-CB 4.16Å; A234-K236 VanDerWaalsContact C-N 3.34Å; A234-K236 PolarHBondContact O-N 3.46Å; K236-L238 HydrophobicContact CD-CD2 3.91Å; K236-L238 HydrophobicContact CG-CD2 3.95Å; K236-L238 HydrophobicContact CG-CG 4.41Å
237	H	94.8	Very high	91.9	Very high	112 Å²	112	52.4 Å²	52.4	52%	0.519	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.1	167.8	-66.1	-80.7	0	0	0	108.8	L160 T161	L160-H237 WeakPolarHBondContact O-CA 3.35Å; T161-H237 PolarHBondContact OG1-CE1 3.48Å; T161-H237 VanDerWaalsContact OG1-CE1 3.23Å; T161-H237 PolarHBondContact OG1-ND1 2.85Å
238	L	94.7	Very high	91.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.4	-179.9	-63.7	175.8	0	0	0	109.8	E159 L160 S162 F221 K236 M240	E159-L238 WeakPolarHBondContact CA-O 3.35Å; E159-L238 WeakPolarHBondContact CB-O 3.46Å; L160-L238 HydrophobicContact CD1-CB 3.94Å; L160-L238 HydrophobicContact CD1-CD1 4.24Å; L160-L238 HydrophobicContact CD1-CG 4.42Å; L160-L238 HydrophobicContact CG-CB 4.41Å; L160-L238 PolarHBondContact N-O 3.01Å; L160-L238 PolarHBondContact O-N 2.98Å; S162-L238 VanDerWaalsContact OG-CD1 3.27Å; S162-L238 WeakPolarHBondContact OG-CD1 3.36Å; F221-L238 HydrophobicContact CB-CD2 4.38Å; F221-L238 HydrophobicContact CD1-CD1 4.06Å; F221-L238 HydrophobicContact CD1-CD2 3.96Å; F221-L238 HydrophobicContact CE1-CD1 4.04Å; F221-L238 HydrophobicContact CG-CD2 4.36Å; K236-L238 HydrophobicContact CD-CD2 3.91Å; K236-L238 HydrophobicContact CG-CD2 3.95Å; K236-L238 HydrophobicContact CG-CG 4.41Å; L238-M240 HydrophobicContact CB-CE 3.92Å; L238-M240 HydrophobicContact CD1-CE 3.57Å; L238-M240 HydrophobicContact CG-CE 4.37Å; L238-M240 PolarHBondContact O-N 3Å
239	P	92.2	Very high	91.8	Very high	94 Å²	94	46.5 Å²	46.5	61%	0.61	24%	0.24	S	C	*	.	S	Bend	trans	-76.6	60	178.5	34.3	-37.2	0	0	0	110.7
240	M	92.4	Very high	91.5	Very high	22 Å²	22	45 Å²	45	11%	0.108	24%	0.24	C	C	.	.			trans	-139	157.2	-179.1	-68.1	-166.1	-58.9	0	0	108.2	L160 I179 V220 L238 I248	L160-M240 HydrophobicContact CD2-CB 3.74Å; L160-M240 HydrophobicContact CD2-CE 4.3Å; L160-M240 HydrophobicContact CG-CB 4.18Å; L160-M240 WeakPolarHBondContact CG-O 3.42Å; L160-M240 PolarHBondContact N-O 2.91Å; L160-M240 VanDerWaalsContact N-O 3.16Å; I179-M240 HydrophobicContact CD1-SD 4.47Å; V220-M240 HydrophobicContact CB-SD 4.22Å; V220-M240 HydrophobicContact CG1-CE 3.51Å; V220-M240 HydrophobicContact CG1-CG 4.01Å; V220-M240 HydrophobicContact CG1-SD 3.27Å; V220-M240 WeakPolarHBondContact CG1-SD 3.03Å; V220-M240 HydrophobicContact CG2-SD 3.83Å; L238-M240 HydrophobicContact CB-CE 3.92Å; L238-M240 HydrophobicContact CD1-CE 3.57Å; L238-M240 HydrophobicContact CG-CE 4.37Å; L238-M240 PolarHBondContact O-N 3Å; M240-I248 HydrophobicContact CB-CG2 3.8Å; M240-I248 HydrophobicContact CE-CD1 4.32Å; M240-I248 HydrophobicContact CE-CG2 4.41Å; M240-I248 HydrophobicContact CG-CG2 4.09Å; M240-I248 HydrophobicContact SD-CG2 3.6Å; M240-I248 VanDerWaalsContact SD-CG2 3.6Å
241	S	93.5	Very high	91.2	Very high	8 Å²	8	45 Å²	45	6%	0.056	24%	0.24	C	C	.	.			trans	-129.7	148.5	-175.2	-174.3	0	0	0	0	111.6	Q153 Y243 D244 R247 I248	Q153-S241 PolarHBondContact NE2-OG 3.09Å; S241-Y243 PolarHBondContact OG-N 3.03Å; S241-D244 WeakPolarHBondContact CB-OD2 3.34Å; S241-D244 PolarHBondContact OG-N 2.87Å; S241-D244 VanDerWaalsContact OG-N 3.07Å; S241-D244 PolarHBondContact OG-OD2 2.79Å; S241-R247 CarbonylContact O-C 3.57Å; S241-R247 WeakPolarHBondContact O-CA 3.27Å; S241-R247 WeakPolarHBondContact O-CB 3.27Å; S241-I248 PolarHBondContact O-N 2.97Å
242	L	93.3	Very high	91	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-93.3	-17.1	169.5	-60.6	177.9	0	0	0	111.4	G133 A135 F151 Q153 L160 R247 I248 V249 L275	G133-L242 WeakPolarHBondContact O-CD1 3.4Å; A135-L242 HydrophobicContact CB-CD2 3.81Å; F151-L242 HydrophobicContact CB-CD1 4.25Å; F151-L242 HydrophobicContact CB-CD2 4.22Å; Q153-L242 HydrophobicContact CB-CD1 3.91Å; Q153-L242 HydrophobicContact CB-CG 4.3Å; L160-L242 HydrophobicContact CD2-CD2 4.27Å; L160-L242 HydrophobicContact CD2-CG 4.26Å; L242-R247 WeakPolarHBondContact O-CB 3.38Å; L242-R247 WeakPolarHBondContact O-CD 3.38Å; L242-I248 HydrophobicContact CD2-CD1 3.9Å; L242-I248 HydrophobicContact CD2-CG1 3.63Å; L242-V249 HydrophobicContact CD2-CG2 4.06Å; L242-L275 HydrophobicContact CB-CD1 4.15Å; L242-L275 HydrophobicContact CB-CD2 3.6Å; L242-L275 HydrophobicContact CD1-CD1 4.19Å; L242-L275 HydrophobicContact CD1-CD2 4.43Å; L242-L275 HydrophobicContact CD2-CD1 4.34Å; L242-L275 HydrophobicContact CG-CD1 4.48Å
243	Y	88.9	Confident	90.8	Very high	52 Å²	52	44 Å²	44	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-108.4	-32.7	-171.9	-65.5	-79	0	0	0	114.2	D131 G133 Q153 S241 L275	D131-Y243 PolarHBondContact O-OH 3.38Å; G133-Y243 WeakPolarHBondContact CA-OH 3.49Å; G133-Y243 PolarHBondContact N-OH 3.44Å; Q153-Y243 HydrophobicContact CB-CE2 4.2Å; Q153-Y243 HydrophobicContact CG-CD2 4.37Å; Q153-Y243 HydrophobicContact CG-CE2 4.3Å; Q153-Y243 WeakPolarHBondContact O-CE2 3.41Å; Q153-Y243 PolarHBondContact O-OH 3.13Å; S241-Y243 PolarHBondContact OG-N 3.03Å; Y243-L275 HydrophobicContact CD1-CD2 4.16Å; Y243-L275 HydrophobicContact CE1-CD2 3.75Å; Y243-L275 HydrophobicContact CE2-CD2 4.29Å
244	D	85.8	Confident	90.7	Very high	83 Å²	83	43.9 Å²	43.9	44%	0.444	24%	0.235	S	C	.	.	S	Bend	trans	-64.5	162.4	-174.3	-68.1	-33.1	0	0	0	112.7	S241 D246 R247	S241-D244 WeakPolarHBondContact CB-OD2 3.34Å; S241-D244 PolarHBondContact OG-N 2.87Å; S241-D244 VanDerWaalsContact OG-N 3.07Å; S241-D244 PolarHBondContact OG-OD2 2.79Å; D244-D246 PolarHBondContact O-N 2.96Å; D244-R247 WeakPolarHBondContact O-CA 3.47Å; D244-R247 WeakPolarHBondContact O-CB 3.31Å; D244-R247 VanDerWaalsContact O-CG 3.23Å; D244-R247 WeakPolarHBondContact O-CG 3.19Å; D244-R247 PolarHBondContact O-N 3.26Å
245	P	81.1	Confident	90.6	Very high	123 Å²	123	43.4 Å²	43.4	80%	0.799	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.7	173.7	-27.2	35.9	0	0	0	113.1	R247	P245-R247 PolarHBondContact O-N 3.18Å
246	D	82.5	Confident	90.7	Very high	137 Å²	137	41.2 Å²	41.2	73%	0.733	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	16.7	176.4	-66.9	-36.6	0	0	0	113.5	K181 D244	K181-D246 VanDerWaalsContact NZ-C 3.26Å; K181-D246 PolarHBondContact NZ-O 2.62Å; D244-D246 PolarHBondContact O-N 2.96Å
247	R	89.4	Confident	90.6	Very high	62 Å²	62	39.5 Å²	39.5	23%	0.234	22%	0.219	C	C	.	.			trans	-50.8	148.5	-175	59.5	179.3	-178.1	-105.2	3.5	114.9	K181 S241 L242 D244 P245 V249	K181-R247 PolarHBondContact NZ-O 3.44Å; S241-R247 CarbonylContact O-C 3.57Å; S241-R247 WeakPolarHBondContact O-CA 3.27Å; S241-R247 WeakPolarHBondContact O-CB 3.27Å; L242-R247 WeakPolarHBondContact O-CB 3.38Å; L242-R247 WeakPolarHBondContact O-CD 3.38Å; D244-R247 WeakPolarHBondContact O-CA 3.47Å; D244-R247 WeakPolarHBondContact O-CB 3.31Å; D244-R247 VanDerWaalsContact O-CG 3.23Å; D244-R247 WeakPolarHBondContact O-CG 3.19Å; D244-R247 PolarHBondContact O-N 3.26Å; P245-R247 PolarHBondContact O-N 3.18Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 HydrophobicContact CG-CB 4.48Å; R247-V249 PolarHBondContact O-N 3.49Å
248	I	91.6	Very high	90.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	22%	0.216	C	C	.	.	S	Bend	trans	-75	-19	-175.8	64.9	162	0	0	0	113.6	F151 L160 I179 M240 S241 L242 G250 S251 V269	F151-I248 HydrophobicContact CD1-CD1 4.32Å; F151-I248 HydrophobicContact CD2-CD1 3.8Å; F151-I248 HydrophobicContact CE1-CD1 4.43Å; F151-I248 HydrophobicContact CE2-CD1 3.92Å; F151-I248 HydrophobicContact CG-CD1 4Å; F151-I248 HydrophobicContact CZ-CD1 4.24Å; L160-I248 HydrophobicContact CD2-CD1 3.57Å; L160-I248 HydrophobicContact CD2-CG1 4.19Å; I179-I248 HydrophobicContact CD1-CB 3.84Å; I179-I248 HydrophobicContact CD1-CG2 3.52Å; M240-I248 HydrophobicContact CB-CG2 3.8Å; M240-I248 HydrophobicContact CE-CD1 4.32Å; M240-I248 HydrophobicContact CE-CG2 4.41Å; M240-I248 HydrophobicContact CG-CG2 4.09Å; M240-I248 HydrophobicContact SD-CG2 3.6Å; M240-I248 VanDerWaalsContact SD-CG2 3.6Å; S241-I248 PolarHBondContact O-N 2.97Å; L242-I248 HydrophobicContact CD2-CD1 3.9Å; L242-I248 HydrophobicContact CD2-CG1 3.63Å; I248-G250 PolarHBondContact O-N 3.47Å; I248-S251 WeakPolarHBondContact O-CA 3.48Å; I248-S251 WeakPolarHBondContact O-CB 3.32Å; I248-S251 PolarHBondContact O-N 3.46Å; I248-S251 PolarHBondContact O-OG 2.88Å; I248-V269 HydrophobicContact CD1-CG1 4.12Å; I248-V269 HydrophobicContact CD1-CG2 4.4Å; I248-V269 HydrophobicContact CG1-CG1 4.19Å
249	V	89.9	Confident	90	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.073	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128.8	179.9	-178.1	0	0	0	0	110.6	L242 R247 S251 P271 L275	L242-V249 HydrophobicContact CD2-CG2 4.06Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 HydrophobicContact CG-CB 4.48Å; R247-V249 PolarHBondContact O-N 3.49Å; V249-S251 PolarHBondContact O-N 3.27Å; V249-P271 HydrophobicContact CG1-CB 3.95Å; V249-P271 HydrophobicContact CG1-CG 4.04Å; V249-L275 HydrophobicContact CG2-CD1 3.82Å
250	G	86.6	Confident	89.7	Confident	34 Å²	34	40.5 Å²	40.5	35%	0.351	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-13.5	-176.3	0	0	0	0	0	115	I248 V269	I248-G250 PolarHBondContact O-N 3.47Å; G250-V269 PolarHBondContact N-O 3.17Å
251	S	89.4	Confident	89.2	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.014	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-70.7	153.5	173.4	-45.6	0	0	0	0	110.7	S180 I248 V249 V269	S180-S251 WeakPolarHBondContact O-CA 3.48Å; S180-S251 WeakPolarHBondContact O-CB 3.34Å; I248-S251 WeakPolarHBondContact O-CA 3.48Å; I248-S251 WeakPolarHBondContact O-CB 3.32Å; I248-S251 PolarHBondContact O-N 3.46Å; I248-S251 PolarHBondContact O-OG 2.88Å; V249-S251 PolarHBondContact O-N 3.27Å; S251-V269 PolarHBondContact O-N 3.43Å
252	M	91	Very high	88.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.3	169.4	177.9	165.8	46.5	0	0	109.8	I179 S180 T183 I186 C189 I193 C266 G267	I179-M252 WeakPolarHBondContact CA-O 3.29Å; S180-M252 PolarHBondContact N-O 2.97Å; S180-M252 PolarHBondContact O-N 2.79Å; T183-M252 HydrophobicContact CG2-CB 4.5Å; T183-M252 WeakPolarHBondContact O-CE 3.3Å; I186-M252 HydrophobicContact CB-CE 3.73Å; I186-M252 HydrophobicContact CD1-CE 3.31Å; I186-M252 HydrophobicContact CD1-SD 4.29Å; I186-M252 HydrophobicContact CG1-CE 3.36Å; C189-M252 HydrophobicContact CB-SD 4.01Å; I193-M252 HydrophobicContact CD1-SD 4.12Å; M252-C266 HydrophobicContact CG-CB 4.06Å; M252-C266 HydrophobicContact SD-CB 3.84Å; M252-G267 CarbonylContact C-O 3.48Å; M252-G267 WeakPolarHBondContact CA-O 3.27Å
253	L	93.1	Very high	88.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.5	163.2	-63	-169.5	0	0	0	109.6	V137 F139 F151 V177 E178 I179 C266 G267 V269	V137-L253 HydrophobicContact CG1-CD1 4.15Å; F139-L253 HydrophobicContact CE1-CB 3.77Å; F139-L253 HydrophobicContact CZ-CB 3.78Å; F139-L253 HydrophobicContact CZ-CD1 4.3Å; F151-L253 HydrophobicContact CE2-CD1 4.38Å; F151-L253 HydrophobicContact CZ-CD1 3.8Å; V177-L253 HydrophobicContact CG1-CB 4.42Å; V177-L253 HydrophobicContact CG1-CD1 4.45Å; E178-L253 CarbonylContact O-C 3.57Å; E178-L253 WeakPolarHBondContact O-CA 3.25Å; I179-L253 HydrophobicContact CB-CD2 3.53Å; I179-L253 HydrophobicContact CD1-CD2 4.01Å; I179-L253 HydrophobicContact CG1-CD2 3.68Å; L253-C266 CarbonylContact O-C 3.57Å; L253-C266 WeakPolarHBondContact O-CA 3.04Å; L253-C266 WeakPolarHBondContact O-CB 3.34Å; L253-G267 PolarHBondContact N-O 3.08Å; L253-G267 PolarHBondContact O-N 3.33Å; L253-V269 HydrophobicContact CD1-CG2 4.26Å; L253-V269 HydrophobicContact CG-CG2 3.99Å
254	S	92.3	Very high	88.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.5	-176.6	55.8	0	0	0	0	110.2	V177 E178 W256 C266	V177-S254 WeakPolarHBondContact CA-O 3.04Å; E178-S254 PolarHBondContact N-O 3.07Å; E178-S254 PolarHBondContact O-N 2.03Å; E178-S254 PolarHBondContact O-OG 3.41Å; E178-S254 VanDerWaalsContact O-OG 3.07Å; S254-W256 PolarHBondContact OG-NE1 3.34Å; S254-C266 WeakPolarHBondContact CB-SG 3.37Å
255	I	94.1	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.8	-177.9	-64.4	171.3	0	0	0	108.4	F139 I166 Y175 V177 M223 P263 V264 A265	F139-I255 HydrophobicContact CB-CD1 4.42Å; F139-I255 HydrophobicContact CD1-CD1 3.56Å; F139-I255 HydrophobicContact CD1-CG1 3.94Å; F139-I255 HydrophobicContact CD2-CD1 4.36Å; F139-I255 HydrophobicContact CE1-CD1 3.83Å; F139-I255 HydrophobicContact CE1-CG1 3.83Å; F139-I255 HydrophobicContact CG-CD1 3.86Å; F139-I255 HydrophobicContact CZ-CD1 4.33Å; F139-I255 HydrophobicContact CZ-CG1 4.49Å; I166-I255 HydrophobicContact CD1-CD1 3.69Å; I166-I255 HydrophobicContact CG1-CD1 3.91Å; I166-I255 HydrophobicContact CG2-CD1 4Å; Y175-I255 HydrophobicContact CD1-CG2 3.88Å; Y175-I255 HydrophobicContact CG-CG2 4.33Å; V177-I255 HydrophobicContact CG2-CG1 4.3Å; M223-I255 HydrophobicContact CE-CB 4.34Å; M223-I255 HydrophobicContact CE-CD1 4.16Å; M223-I255 HydrophobicContact CE-CG1 4.19Å; M223-I255 HydrophobicContact CE-CG2 3.26Å; I255-P263 CarbonylContact O-C 3.54Å; I255-P263 WeakPolarHBondContact O-CA 3.26Å; I255-P263 WeakPolarHBondContact O-CB 3.21Å; I255-V264 HydrophobicContact CB-CG2 4.07Å; I255-V264 HydrophobicContact CG2-CG2 3.56Å; I255-V264 WeakPolarHBondContact O-CG2 3.39Å; I255-V264 PolarHBondContact O-N 3.3Å; I255-A265 HydrophobicContact CD1-CB 4.33Å; I255-A265 PolarHBondContact N-O 2.97Å
256	W	92.8	Very high	89.6	Confident	43 Å²	43	42 Å²	42	16%	0.163	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.1	-176.8	-60.9	78.5	0	0	0	110.4	Y175 T176 I186 S254 K258 S262 P263	Y175-W256 CarbonylContact C-O 3.53Å; Y175-W256 WeakPolarHBondContact CA-O 3.44Å; Y175-W256 VanDerWaalsContact CB-O 3.29Å; Y175-W256 WeakPolarHBondContact CB-O 3.4Å; Y175-W256 WeakPolarHBondContact CD1-O 3.33Å; T176-W256 PolarHBondContact N-O 3.17Å; T176-W256 PolarHBondContact O-N 2.96Å; I186-W256 HydrophobicContact CG2-CZ2 4.13Å; S254-W256 PolarHBondContact OG-NE1 3.34Å; W256-K258 PolarHBondContact O-N 2.78Å; W256-S262 VanDerWaalsContact CE3-C 3.41Å; W256-S262 VanDerWaalsContact CZ3-CA 3.45Å; W256-P263 HydrophobicContact CD2-CB 4.03Å; W256-P263 HydrophobicContact CG-CB 4.39Å; W256-P263 HydrophobicContact CH2-CG 4.41Å; W256-P263 HydrophobicContact CZ2-CB 4.18Å; W256-P263 HydrophobicContact CZ2-CG 4.17Å
257	P	93.2	Very high	90	Very high	35 Å²	35	35.9 Å²	35.9	23%	0.227	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	138.4	163.3	-16.8	29.6	0	0	0	108.7	Y175 G259 G260 V264	Y175-P257 HydrophobicContact CD1-CB 4.25Å; Y175-P257 HydrophobicContact CD1-CG 4.26Å; Y175-P257 HydrophobicContact CE1-CB 4.07Å; Y175-P257 HydrophobicContact CE1-CG 3.92Å; P257-G259 PolarHBondContact O-N 3Å; P257-G259 VanDerWaalsContact O-N 3.14Å; P257-G260 WeakPolarHBondContact O-CA 3.43Å; P257-G260 PolarHBondContact O-N 3.22Å; P257-V264 HydrophobicContact CG-CG1 3.66Å
258	K	91.9	Very high	90.1	Very high	109 Å²	109	35 Å²	35	47%	0.474	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	120.2	179.3	-169.9	163	-175.4	157.9	0	110.3	L174 E222 W256 G260	L174-K258 HydrophobicContact CB-CB 3.91Å; L174-K258 HydrophobicContact CB-CD 3.87Å; L174-K258 HydrophobicContact CD1-CD 3.88Å; L174-K258 WeakPolarHBondContact O-CB 3.35Å; L174-K258 PolarHBondContact O-N 2.95Å; E222-K258 VanDerWaalsContact CD-NZ 3.26Å; E222-K258 WeakPolarHBondContact OE1-CE 3.32Å; E222-K258 IonicContact OE1-NZ 3.41Å; E222-K258 PolarHBondContact OE1-NZ 3.36Å; E222-K258 IonicContact OE2-NZ 2.97Å; E222-K258 PolarHBondContact OE2-NZ 3.4Å; W256-K258 PolarHBondContact O-N 2.78Å; K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 3.34Å
259	G	85.6	Confident	90.1	Very high	87 Å²	87	34.8 Å²	34.8	90%	0.897	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	7	-172.9	0	0	0	0	0	115.1	P257	P257-G259 PolarHBondContact O-N 3Å; P257-G259 VanDerWaalsContact O-N 3.14Å
260	G	84.4	Confident	90.2	Very high	35 Å²	35	38.5 Å²	38.5	36%	0.361	23%	0.233	S	C	.	.			trans	-72	158.4	175.1	0	0	0	0	0	112.8	P257 K258	P257-G260 WeakPolarHBondContact O-CA 3.43Å; P257-G260 PolarHBondContact O-N 3.22Å; K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 3.34Å
261	K	82.5	Confident	90.5	Very high	205 Å²	205	39.5 Å²	39.5	89%	0.891	23%	0.234	S	C	*	.	S	Bend	trans	-101.1	-5.3	-179.6	-62.8	-175	180	-178.4	0	114.1
262	S	84.9	Confident	90.6	Very high	69 Å²	69	44 Å²	44	48%	0.483	26%	0.257	S	S	.	.	S	Bend	trans	-150.2	146.5	-178.5	57.8	0	0	0	0	109.9	W256	W256-S262 VanDerWaalsContact CE3-C 3.41Å; W256-S262 VanDerWaalsContact CZ3-CA 3.45Å
263	P	89.4	Confident	90.5	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.019	28%	0.275	C	S	.	.			trans	-69.3	148.6	174.6	33.4	-36.8	0	0	0	110.1	I186 K187 C189 I255 W256	I186-P263 HydrophobicContact CG2-CG 3.6Å; K187-P263 WeakPolarHBondContact O-CD 3.32Å; C189-P263 WeakPolarHBondContact SG-CG 3.46Å; I255-P263 CarbonylContact O-C 3.54Å; I255-P263 WeakPolarHBondContact O-CA 3.26Å; I255-P263 WeakPolarHBondContact O-CB 3.21Å; W256-P263 HydrophobicContact CD2-CB 4.03Å; W256-P263 HydrophobicContact CG-CB 4.39Å; W256-P263 HydrophobicContact CH2-CG 4.41Å; W256-P263 HydrophobicContact CZ2-CB 4.18Å; W256-P263 HydrophobicContact CZ2-CG 4.17Å
264	V	91.3	Very high	89.8	Confident	30 Å²	30	53 Å²	53	18%	0.182	30%	0.301	C	S	.	.	S	Bend	trans	-86.3	-27.7	173.1	-70	0	0	0	0	112.2	G141 Y142 V145 L169 Y175 I255 P257	G141-V264 CarbonylContact C-O 3.57Å; G141-V264 WeakPolarHBondContact CA-O 3.29Å; Y142-V264 PolarHBondContact N-O 2.82Å; V145-V264 HydrophobicContact CG1-CG2 4.34Å; V145-V264 HydrophobicContact CG2-CB 4.19Å; V145-V264 HydrophobicContact CG2-CG2 4.4Å; L169-V264 HydrophobicContact CD2-CG2 4.42Å; Y175-V264 HydrophobicContact CD1-CG2 4.19Å; Y175-V264 HydrophobicContact CE1-CG1 4.49Å; Y175-V264 HydrophobicContact CE1-CG2 3.95Å; I255-V264 HydrophobicContact CB-CG2 4.07Å; I255-V264 HydrophobicContact CG2-CG2 3.56Å; I255-V264 WeakPolarHBondContact O-CG2 3.39Å; I255-V264 PolarHBondContact O-N 3.3Å; P257-V264 HydrophobicContact CG-CG1 3.66Å
265	A	93.3	Very high	89.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.9	175.5	0	0	0	0	0	111.5	F139 V145 I255	F139-A265 HydrophobicContact CB-CB 4.16Å; V145-A265 HydrophobicContact CB-CB 4.12Å; V145-A265 HydrophobicContact CG1-CB 3.58Å; I255-A265 HydrophobicContact CD1-CB 4.33Å; I255-A265 PolarHBondContact N-O 2.97Å
266	C	92.4	Very high	87.6	Confident	11 Å²	11	57.3 Å²	57.3	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	165	170.2	-60.8	0	0	0	0	111.7	F139 N140 C189 M252 L253 S254	F139-C266 WeakPolarHBondContact CA-O 3.49Å; N140-C266 PolarHBondContact N-O 2.58Å; N140-C266 PolarHBondContact O-N 2.81Å; C189-C266 HydrophobicContact CB-CB 3.44Å; C189-C266 VanDerWaalsContact CB-CB 3.44Å; C189-C266 WeakPolarHBondContact CB-SG 3.38Å; C189-C266 WeakPolarHBondContact SG-CB 3.3Å; C189-C266 CovalentContact SG-SG 1.99Å; C189-C266 PolarHBondContact SG-SG 3.16Å; M252-C266 HydrophobicContact CG-CB 4.06Å; M252-C266 HydrophobicContact SD-CB 3.84Å; L253-C266 CarbonylContact O-C 3.57Å; L253-C266 WeakPolarHBondContact O-CA 3.04Å; L253-C266 WeakPolarHBondContact O-CB 3.34Å; S254-C266 WeakPolarHBondContact CB-SG 3.37Å
267	G	91.9	Very high	85.8	Confident	9 Å²	9	63.5 Å²	63.5	9%	0.093	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.7	170.2	0	0	0	0	0	111.7	V137 H138 M252 L253	V137-G267 WeakPolarHBondContact CG2-O 3.4Å; H138-G267 VanDerWaalsContact O-CA 3.26Å; H138-G267 WeakPolarHBondContact O-CA 3.31Å; M252-G267 CarbonylContact C-O 3.48Å; M252-G267 WeakPolarHBondContact CA-O 3.27Å; L253-G267 PolarHBondContact N-O 3.08Å; L253-G267 PolarHBondContact O-N 3.33Å
268	V	90.4	Very high	83.7	Confident	43 Å²	43	64.2 Å²	64.2	26%	0.261	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.9	172.9	178.4	0	0	0	0	109.2	T183 K270	T183-V268 HydrophobicContact CG2-CG2 4.31Å; V268-K270 PolarHBondContact O-N 3.03Å
269	V	92.7	Very high	81	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109	175.2	-176.6	0	0	0	0	109.3	A135 T136 V137 F151 I248 G250 S251 L253	A135-V269 HydrophobicContact CB-CG1 3.79Å; T136-V269 CarbonylContact O-C 3.49Å; T136-V269 WeakPolarHBondContact O-CA 3.29Å; V137-V269 HydrophobicContact CB-CG2 4.28Å; F151-V269 HydrophobicContact CD2-CG1 4.13Å; F151-V269 HydrophobicContact CE2-CG1 4.16Å; F151-V269 HydrophobicContact CE2-CG2 4.22Å; I248-V269 HydrophobicContact CD1-CG1 4.12Å; I248-V269 HydrophobicContact CD1-CG2 4.4Å; I248-V269 HydrophobicContact CG1-CG1 4.19Å; G250-V269 PolarHBondContact N-O 3.17Å; S251-V269 PolarHBondContact O-N 3.43Å; L253-V269 HydrophobicContact CD1-CG2 4.26Å; L253-V269 HydrophobicContact CG-CG2 3.99Å
270	K	91.8	Very high	78.6	Confident	90 Å²	90	66.1 Å²	66.1	39%	0.391	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.6	179.4	-63.7	-177.3	179.7	-177	0	109.7	A135 T136 E196 V268	A135-K270 CarbonylContact C-O 3.43Å; A135-K270 VanDerWaalsContact CA-O 3.24Å; A135-K270 WeakPolarHBondContact CA-O 3.42Å; A135-K270 WeakPolarHBondContact CB-O 3.1Å; T136-K270 PolarHBondContact N-O 2.83Å; T136-K270 PolarHBondContact O-N 3.02Å; E196-K270 IonicContact OE1-NZ 2.88Å; E196-K270 PolarHBondContact OE1-NZ 2.89Å; E196-K270 IonicContact OE2-NZ 3.33Å; E196-K270 PolarHBondContact OE2-NZ 2.92Å; V268-K270 PolarHBondContact O-N 3.03Å
271	P	92.9	Very high	75.9	Confident	55 Å²	55	70.3 Å²	70.3	36%	0.357	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.8	172.8	31.2	-33	0	0	0	110	V249 L275	V249-P271 HydrophobicContact CG1-CB 3.95Å; V249-P271 HydrophobicContact CG1-CG 4.04Å; P271-L275 HydrophobicContact CB-CB 4.21Å; P271-L275 HydrophobicContact CB-CD1 4.18Å
272	L	91.6	Very high	73.6	Confident	96 Å²	96	66.8 Å²	66.8	50%	0.503	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-50.1	177.7	-65.6	177.7	0	0	0	112.3	L121 S134 T136	L121-L272 HydrophobicContact CD2-CD1 3.28Å; S134-L272 WeakPolarHBondContact O-CB 3.28Å; S134-L272 PolarHBondContact O-N 3.27Å; T136-L272 HydrophobicContact CG2-CD1 3.83Å; T136-L272 HydrophobicContact CG2-CD2 3.94Å; T136-L272 HydrophobicContact CG2-CG 4.04Å
273	K	87.7	Confident	71.1	Confident	90 Å²	90	67.1 Å²	67.1	39%	0.391	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.1	-171.9	-172.7	-172.4	-178.7	-173.9	0	111.3	E125 G133 S134 L275	E125-K273 WeakPolarHBondContact OE2-CD 3.41Å; E125-K273 IonicContact OE2-NZ 2.89Å; E125-K273 PolarHBondContact OE2-NZ 3.05Å; G133-K273 VanDerWaalsContact CA-O 3.29Å; G133-K273 WeakPolarHBondContact CA-O 3.24Å; S134-K273 PolarHBondContact N-O 3.32Å; S134-K273 PolarHBondContact O-N 3.02Å; S134-K273 WeakPolarHBondContact OG-CB 3.5Å; K273-L275 WeakPolarHBondContact O-CG 3.3Å; K273-L275 PolarHBondContact O-N 3.49Å
274	N	79.8	Confident	68.5	Low	102 Å²	102	73.2 Å²	73.2	55%	0.545	43%	0.426	S	S	.	.	S	Bend	trans	49.3	32	169.7	-61.3	-25.7	0	0	0	115.3	V132	V132-N274 WeakPolarHBondContact O-CB 3.49Å; V132-N274 PolarHBondContact O-ND2 3.15Å; V132-N274 VanDerWaalsContact O-ND2 3.11Å
275	L	76.6	Confident	65.8	Low	19 Å²	19	79 Å²	79	10%	0.099	45%	0.451	C	S	.	.	S	Bend	trans	-113.8	138.7	173.8	-66.6	175.7	0	0	0	108.7	S134 A135 L242 Y243 V249 P271 K273 E277	S134-L275 WeakPolarHBondContact O-CD1 3.2Å; A135-L275 HydrophobicContact CB-CD1 4.05Å; L242-L275 HydrophobicContact CB-CD1 4.15Å; L242-L275 HydrophobicContact CB-CD2 3.6Å; L242-L275 HydrophobicContact CD1-CD1 4.19Å; L242-L275 HydrophobicContact CD1-CD2 4.43Å; L242-L275 HydrophobicContact CD2-CD1 4.34Å; L242-L275 HydrophobicContact CG-CD1 4.48Å; Y243-L275 HydrophobicContact CD1-CD2 4.16Å; Y243-L275 HydrophobicContact CE1-CD2 3.75Å; Y243-L275 HydrophobicContact CE2-CD2 4.29Å; V249-L275 HydrophobicContact CG2-CD1 3.82Å; P271-L275 HydrophobicContact CB-CB 4.21Å; P271-L275 HydrophobicContact CB-CD1 4.18Å; K273-L275 WeakPolarHBondContact O-CG 3.3Å; K273-L275 PolarHBondContact O-N 3.49Å; L275-E277 PolarHBondContact O-N 2.96Å
276	P	62.6	Low	63.2	Low	72 Å²	72	87.3 Å²	87.3	47%	0.468	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-57	118.2	171.3	-17.8	29	0	0	0	108.4	A278	P276-A278 PolarHBondContact O-N 2.88Å; P276-A278 VanDerWaalsContact O-N 3.08Å
277	E	55.9	Low	60.9	Low	173 Å²	173	95.4 Å²	95.4	81%	0.808	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-54.4	122.1	172.7	-74.4	-175.3	172.1	0	0	107.7	L275 M279	L275-E277 PolarHBondContact O-N 2.96Å; E277-M279 PolarHBondContact O-N 3.46Å
278	A	49.1	Very low	58.7	Low	49 Å²	49	98.5 Å²	98.5	41%	0.405	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-59	117.7	176.5	0	0	0	0	0	107.5	P276 A280	P276-A278 PolarHBondContact O-N 2.88Å; P276-A278 VanDerWaalsContact O-N 3.08Å; A278-A280 PolarHBondContact O-N 2.84Å
279	M	35.2	Very low	56.5	Low	138 Å²	138	104.4 Å²	104.4	68%	0.68	56%	0.562	S	S	*	*			trans	-51.2	107.3	167.1	-68.4	176.1	64.9	0	0	107.7	E277 N281	E277-M279 PolarHBondContact O-N 3.46Å; M279-N281 PolarHBondContact O-N 3.01Å
280	A	34.6	Very low	54.6	Low	98 Å²	98	107.8 Å²	107.8	81%	0.81	58%	0.583	S	S	*	*	S	Bend	trans	-66.5	17.4	168.9	0	0	0	0	0	112.7	A278	A278-A280 PolarHBondContact O-N 2.84Å
281	N	28.6	Very low	52.9	Low	124 Å²	124	108.2 Å²	108.2	66%	0.663	59%	0.589	S	S	*	*			trans	-141.9	73.3	-178.6	-67	-39.7	0	0	0	109.6	M279	M279-N281 PolarHBondContact O-N 3.01Å
282	V	33.5	Very low	51.2	Low	131 Å²	131	110 Å²	110	79%	0.794	60%	0.599	S	S	*	*			trans	-111.1	50.4	148.5	-169	0	0	0	0	107.9
283	A	32	Very low	49.7	Very low	75 Å²	75	111.4 Å²	111.4	62%	0.62	61%	0.606	S	S	*	*	S	Bend	trans	-110.7	132.5	143.1	0	0	0	0	0	104.2
284	V	34.1	Very low	48.6	Very low	132 Å²	132	111.8 Å²	111.8	80%	0.8	61%	0.612	S	S	*	*	S	Bend	trans	81.6	62	-176.1	-156.6	0	0	0	0	115.3
285	E	34.6	Very low	48	Very low	151 Å²	151	111 Å²	111	71%	0.706	61%	0.611	S	S	*	*	S	Bend	trans	-143.3	-14.5	146	-121.5	177.4	-168.5	0	0	114.7	Y287	E285-Y287 VanDerWaalsContact C-N 3.33Å; E285-Y287 PolarHBondContact O-N 2.75Å
286	H	39.6	Very low	47.5	Very low	175 Å²	175	112.6 Å²	112.6	81%	0.81	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-2.6	172.2	-118.3	-69.8	0	0	0	115.5	T290	H286-T290 PolarHBondContact O-OG1 3.42Å
287	Y	43.5	Very low	47.8	Very low	181 Å²	181	112.5 Å²	112.5	71%	0.71	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-13.9	170	-110	-92.4	0	0	0	113.5	E285 L291	E285-Y287 VanDerWaalsContact C-N 3.33Å; E285-Y287 PolarHBondContact O-N 2.75Å; Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 3.41Å
288	S	45.6	Very low	48.5	Very low	73 Å²	73	109.2 Å²	109.2	51%	0.51	61%	0.612	S	S	.	*	H	α-helix	trans	-71.6	-41.1	-177.6	-175.4	0	0	0	0	112	T292	S288-T292 PolarHBondContact O-N 3.27Å; S288-T292 PolarHBondContact O-OG1 3.31Å
289	K	45.2	Very low	49.4	Very low	167 Å²	167	109.6 Å²	109.6	73%	0.726	61%	0.612	S	S	*	*	H	α-helix	trans	-73.5	-34	178.6	-69.7	-174	179.1	178.1	0	113.5	T292 L293	K289-T292 WeakPolarHBondContact CA-OG1 3.29Å; K289-T292 PolarHBondContact O-OG1 3.32Å; K289-L293 PolarHBondContact O-N 2.87Å
290	T	53.5	Low	51	Low	72 Å²	72	108.9 Å²	108.9	44%	0.442	61%	0.61	S	S	.	*	H	α-helix	trans	-75.9	-34.3	177.1	-29.6	0	0	0	0	111.2	H286 L293 L294	H286-T290 PolarHBondContact O-OG1 3.42Å; T290-L293 PolarHBondContact O-N 3.25Å; T290-L294 WeakPolarHBondContact O-CB 3.45Å; T290-L294 PolarHBondContact O-N 2.85Å
291	L	55.2	Low	52.7	Low	100 Å²	100	109.5 Å²	109.5	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-73.8	-35	175.7	-161.5	71.6	0	0	0	112.1	Y287 L293 L294 V295	Y287-L291 WeakPolarHBondContact O-CB 3.3Å; Y287-L291 PolarHBondContact O-N 3.41Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L294 PolarHBondContact O-N 2.84Å; L291-V295 WeakPolarHBondContact O-CB 3.39Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 3.34Å
292	T	57.8	Low	54.5	Low	91 Å²	91	108.9 Å²	108.9	56%	0.558	60%	0.596	S	S	*	*	H	α-helix	trans	-65.8	-36.5	170.6	20.5	0	0	0	0	112.1	S288 K289 A296	S288-T292 PolarHBondContact O-N 3.27Å; S288-T292 PolarHBondContact O-OG1 3.31Å; K289-T292 WeakPolarHBondContact CA-OG1 3.29Å; K289-T292 PolarHBondContact O-OG1 3.32Å; T292-A296 VanDerWaalsContact O-CB 3.28Å; T292-A296 WeakPolarHBondContact O-CB 3.16Å; T292-A296 PolarHBondContact O-N 3.22Å
293	L	59.8	Low	55.8	Low	127 Å²	127	109.2 Å²	109.2	67%	0.665	59%	0.588	S	S	*	*	H	α-helix	trans	-66.4	-41.6	173.8	-126.9	90.6	0	0	0	112.1	K289 T290 L291 A296 T297	K289-L293 PolarHBondContact O-N 2.87Å; T290-L293 PolarHBondContact O-N 3.25Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L293-A296 PolarHBondContact O-N 2.75Å; L293-T297 WeakPolarHBondContact O-CG2 3.31Å; L293-T297 PolarHBondContact O-N 3.19Å; L293-T297 PolarHBondContact O-OG1 3.29Å; L293-T297 VanDerWaalsContact O-OG1 3.1Å
294	L	63.4	Low	57.2	Low	98 Å²	98	109.4 Å²	109.4	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-38.4	177.5	-84.2	157.5	0	0	0	112.6	T290 L291 T297 L298	T290-L294 WeakPolarHBondContact O-CB 3.45Å; T290-L294 PolarHBondContact O-N 2.85Å; L291-L294 PolarHBondContact O-N 2.84Å; L294-T297 WeakPolarHBondContact CA-OG1 3.42Å; L294-T297 PolarHBondContact O-OG1 3.12Å; L294-L298 WeakPolarHBondContact O-CB 3.46Å; L294-L298 PolarHBondContact O-N 2.98Å
295	V	67.6	Low	58.6	Low	85 Å²	85	105.9 Å²	105.9	52%	0.515	57%	0.566	S	S	.	*	H	α-helix	trans	-69.4	-39	175.5	173.5	0	0	0	0	110.5	L291 L298 S299	L291-V295 WeakPolarHBondContact O-CB 3.39Å; L291-V295 WeakPolarHBondContact O-CG2 3.46Å; L291-V295 PolarHBondContact O-N 3.34Å; V295-L298 PolarHBondContact O-N 2.88Å; V295-S299 WeakPolarHBondContact O-CB 3.48Å; V295-S299 PolarHBondContact O-N 3.39Å; V295-S299 PolarHBondContact O-OG 3.33Å
296	A	67	Low	59.9	Low	52 Å²	52	102.6 Å²	102.6	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-40	175.6	0	0	0	0	0	112.4	T292 L293 S299 L300	T292-A296 VanDerWaalsContact O-CB 3.28Å; T292-A296 WeakPolarHBondContact O-CB 3.16Å; T292-A296 PolarHBondContact O-N 3.22Å; L293-A296 PolarHBondContact O-N 2.75Å; A296-S299 PolarHBondContact O-N 3.08Å; A296-L300 PolarHBondContact O-N 3.37Å; A296-L300 VanDerWaalsContact O-N 3.12Å
297	T	67.8	Low	61	Low	71 Å²	71	99.9 Å²	99.9	44%	0.436	56%	0.555	S	S	.	*	H	α-helix	trans	-70.6	-37.8	176.4	53.2	0	0	0	0	112.3	L293 L294 S299 L300 L301	L293-T297 WeakPolarHBondContact O-CG2 3.31Å; L293-T297 PolarHBondContact O-N 3.19Å; L293-T297 PolarHBondContact O-OG1 3.29Å; L293-T297 VanDerWaalsContact O-OG1 3.1Å; L294-T297 WeakPolarHBondContact CA-OG1 3.42Å; L294-T297 PolarHBondContact O-OG1 3.12Å; T297-S299 VanDerWaalsContact C-N 3.34Å; T297-L300 PolarHBondContact O-N 3.39Å; T297-L301 WeakPolarHBondContact O-CD1 3.36Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.47Å; T297-L301 VanDerWaalsContact O-N 3.08Å
298	L	71.2	Confident	61.7	Low	104 Å²	104	99.9 Å²	99.9	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-38.2	173.7	-132.2	80.3	0	0	0	111.9	L294 V295 L300 L301 L302	L294-L298 WeakPolarHBondContact O-CB 3.46Å; L294-L298 PolarHBondContact O-N 2.98Å; V295-L298 PolarHBondContact O-N 2.88Å; L298-L300 PolarHBondContact O-N 3.45Å; L298-L301 PolarHBondContact O-N 3.35Å; L298-L302 WeakPolarHBondContact O-CD1 3.35Å; L298-L302 PolarHBondContact O-N 2.92Å
299	S	68.4	Low	62	Low	56 Å²	56	108.4 Å²	108.4	39%	0.392	59%	0.588	S	S	.	*	H	α-helix	trans	-63.9	-40	177.8	-54.7	0	0	0	0	112.1	V295 A296 T297 H303	V295-S299 WeakPolarHBondContact O-CB 3.48Å; V295-S299 PolarHBondContact O-N 3.39Å; V295-S299 PolarHBondContact O-OG 3.33Å; A296-S299 PolarHBondContact O-N 3.08Å; T297-S299 VanDerWaalsContact C-N 3.34Å; S299-H303 PolarHBondContact O-N 3.3Å; S299-H303 PolarHBondContact O-ND1 3.11Å; S299-H303 VanDerWaalsContact O-ND1 3.14Å
300	L	68.3	Low	62.8	Low	123 Å²	123	105.5 Å²	105.5	64%	0.644	58%	0.581	S	S	*	*	H	α-helix	trans	-66.8	-40.3	174.6	-107.5	82.7	0	0	0	111.8	A296 T297 L298 H303 T304	A296-L300 PolarHBondContact O-N 3.37Å; A296-L300 VanDerWaalsContact O-N 3.12Å; T297-L300 PolarHBondContact O-N 3.39Å; L298-L300 PolarHBondContact O-N 3.45Å; L300-H303 PolarHBondContact O-N 3.3Å; L300-T304 WeakPolarHBondContact O-CG2 3.3Å; L300-T304 PolarHBondContact O-N 3.03Å; L300-T304 PolarHBondContact O-OG1 3.26Å
301	L	69.4	Low	63.3	Low	111 Å²	111	107.2 Å²	107.2	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-67.4	-34.3	178	-74.4	160	0	0	0	112.5	T297 L298 T304 A305	T297-L301 WeakPolarHBondContact O-CD1 3.36Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.47Å; T297-L301 VanDerWaalsContact O-N 3.08Å; L298-L301 PolarHBondContact O-N 3.35Å; L301-T304 PolarHBondContact O-OG1 2.99Å; L301-T304 VanDerWaalsContact O-OG1 3.09Å; L301-A305 WeakPolarHBondContact O-CB 3.47Å; L301-A305 PolarHBondContact O-N 3.09Å; L301-A305 VanDerWaalsContact O-N 3.13Å
302	L	66.7	Low	63.8	Low	112 Å²	112	107.6 Å²	107.6	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-74.7	-32.8	175.2	-87.9	142.8	0	0	0	112.9	L298 S306	L298-L302 WeakPolarHBondContact O-CD1 3.35Å; L298-L302 PolarHBondContact O-N 2.92Å; L302-S306 PolarHBondContact O-N 3.37Å; L302-S306 PolarHBondContact O-OG 3Å
303	H	61.4	Low	64.1	Low	137 Å²	137	108.6 Å²	108.6	63%	0.634	59%	0.594	S	S	*	*	H	α-helix	trans	-73.1	-32.2	173.3	-85.2	67.6	0	0	0	112.7	S299 L300 S306 V307	S299-H303 PolarHBondContact O-N 3.3Å; S299-H303 PolarHBondContact O-ND1 3.11Å; S299-H303 VanDerWaalsContact O-ND1 3.14Å; L300-H303 PolarHBondContact O-N 3.3Å; H303-S306 WeakPolarHBondContact CA-OG 3.5Å; H303-S306 PolarHBondContact O-OG 3.36Å; H303-V307 WeakPolarHBondContact O-CG2 3.42Å
304	T	61.5	Low	64.4	Low	80 Å²	80	107.4 Å²	107.4	49%	0.491	59%	0.589	S	S	.	*	H	α-helix	trans	-74	-33.4	173.4	55.3	0	0	0	0	112	L300 L301 S306 V307 F308	L300-T304 WeakPolarHBondContact O-CG2 3.3Å; L300-T304 PolarHBondContact O-N 3.03Å; L300-T304 PolarHBondContact O-OG1 3.26Å; L301-T304 PolarHBondContact O-OG1 2.99Å; L301-T304 VanDerWaalsContact O-OG1 3.09Å; T304-S306 VanDerWaalsContact C-N 3.3Å; T304-S306 PolarHBondContact O-N 3.39Å; T304-V307 PolarHBondContact O-N 3.48Å; T304-F308 WeakPolarHBondContact O-CD2 3.13Å
305	A	63.1	Low	64.4	Low	57 Å²	57	108.1 Å²	108.1	47%	0.471	59%	0.594	S	S	.	*	H	α-helix	trans	-66.8	-28.4	176	0	0	0	0	0	113.6	L301	L301-A305 WeakPolarHBondContact O-CB 3.47Å; L301-A305 PolarHBondContact O-N 3.09Å; L301-A305 VanDerWaalsContact O-N 3.13Å
306	S	61.3	Low	64.2	Low	82 Å²	82	109.7 Å²	109.7	57%	0.573	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-5.2	178.7	35.2	0	0	0	0	114.3	L302 H303 T304	L302-S306 PolarHBondContact O-N 3.37Å; L302-S306 PolarHBondContact O-OG 3Å; H303-S306 WeakPolarHBondContact CA-OG 3.5Å; H303-S306 PolarHBondContact O-OG 3.36Å; T304-S306 VanDerWaalsContact C-N 3.3Å; T304-S306 PolarHBondContact O-N 3.39Å
307	V	62.8	Low	64	Low	118 Å²	118	114.2 Å²	114.2	72%	0.715	61%	0.613	S	S	*	*	S	Bend	trans	-96.6	-7.6	170.9	179.4	0	0	0	0	111.6	H303 T304	H303-V307 WeakPolarHBondContact O-CG2 3.42Å; T304-V307 PolarHBondContact O-N 3.48Å
308	F	58.7	Low	63.7	Low	181 Å²	181	117.8 Å²	117.8	79%	0.794	63%	0.628	S	S	*	*			trans	-112.4	16.2	179.2	-81.8	-79.8	0	0	0	114.3	T304	T304-F308 WeakPolarHBondContact O-CD2 3.13Å
309	F	51.6	Low	63	Low	252 Å²	252	119 Å²	119	100%	1.105	64%	0.635	S	S	*	*			trans	-124.6	0	169.5	-102.9	-81.1	0	0	0	111.8

Retrieved 309 of 309 residues in 82.8 ms (Link to these results)

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